USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 674 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 0 HIS : no HD1:sc= -10.5! C(o=-17!,f=-23!) USER MOD Set 1.2: A 39 HIS : no HD1:sc= -3.7! C(o=-17!,f=-23!) USER MOD Set 1.3: A 52 GLN : amide:sc= -2.49 K(o=-17,f=-23!) USER MOD Set 2.1: A 9 ASN : amide:sc= -5.04! C(o=-8.8!,f=-18!) USER MOD Set 2.2: A 21 LYS NZ :NH3+ 158:sc= -3.77! (180deg=-4.78!) USER MOD Single : A 1 MET CE :methyl -174:sc= -0.873 (180deg=-0.954) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0339 USER MOD Single : A 7 LYS NZ :NH3+ 149:sc= -0.626 (180deg=-1.97!) USER MOD Single : A -5 HIS : no HD1:sc=-0.00348 X(o=-0.0035,f=0) USER MOD Single : A -7 SER OG : rot -35:sc= 0.326 USER MOD Single : A -8 SER OG : rot 180:sc= 0 USER MOD Single : A -9 HIS : no HD1:sc= -0.0602 X(o=-0.06,f=-0.0052) USER MOD Single : A -9 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.5) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.799 F(o=-2.5!,f=-0.8) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= 1.62 (180deg=0.975!) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 1.03 (180deg=0.936) USER MOD Single : A 43 HIS : no HD1:sc= -2.43 K(o=-2.4,f=-4.2!) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0561) USER MOD Single : A 48 TYR OH : rot -57:sc= 0.519 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : A 55 ASN :FLIP amide:sc= -2.62! C(o=-3.9!,f=-2.6!) USER MOD Single : A 56 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.14) USER MOD Single : A 62 SER OG : rot 102:sc= 1.46 USER MOD Single : A 63 SER OG : rot -37:sc= 0.345 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0181 K(o=-0.018,f=-2.4!) USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -9 13.595 19.895 -16.891 1.00 10.50 N ATOM 2 CA HIS A -9 14.858 20.168 -16.163 1.00 10.47 C ATOM 3 C HIS A -9 14.612 20.143 -14.657 1.00 9.92 C ATOM 4 O HIS A -9 15.319 19.464 -13.914 1.00 9.95 O ATOM 5 CB HIS A -9 15.432 21.526 -16.586 1.00 10.88 C ATOM 6 CG HIS A -9 16.876 21.722 -16.224 1.00 11.33 C ATOM 7 ND1 HIS A -9 17.864 21.921 -17.165 1.00 11.58 N ATOM 8 CD2 HIS A -9 17.498 21.764 -15.020 1.00 11.79 C ATOM 9 CE1 HIS A -9 19.026 22.068 -16.558 1.00 12.14 C ATOM 10 NE2 HIS A -9 18.831 21.979 -15.258 1.00 12.26 N ATOM 0 H1 HIS A -9 13.774 19.914 -17.915 1.00 10.50 H new ATOM 0 H2 HIS A -9 13.234 18.958 -16.620 1.00 10.50 H new ATOM 0 H3 HIS A -9 12.891 20.621 -16.649 1.00 10.50 H new ATOM 0 HA HIS A -9 15.582 19.392 -16.412 1.00 10.47 H new ATOM 0 HB2 HIS A -9 15.321 21.635 -17.665 1.00 10.88 H new ATOM 0 HB3 HIS A -9 14.842 22.317 -16.124 1.00 10.88 H new ATOM 0 HD2 HIS A -9 17.030 21.649 -14.053 1.00 11.79 H new ATOM 0 HE1 HIS A -9 19.976 22.233 -17.044 1.00 12.14 H new ATOM 0 HE2 HIS A -9 19.555 22.057 -14.544 1.00 12.26 H new ATOM 19 N SER A -8 13.601 20.874 -14.206 1.00 9.64 N ATOM 20 CA SER A -8 13.282 20.933 -12.788 1.00 9.30 C ATOM 21 C SER A -8 12.432 19.734 -12.372 1.00 8.71 C ATOM 22 O SER A -8 12.299 19.439 -11.187 1.00 8.43 O ATOM 23 CB SER A -8 12.559 22.243 -12.462 1.00 9.57 C ATOM 24 OG SER A -8 12.420 22.425 -11.062 1.00 9.77 O ATOM 0 H SER A -8 12.990 21.433 -14.801 1.00 9.64 H new ATOM 0 HA SER A -8 14.214 20.899 -12.224 1.00 9.30 H new ATOM 0 HB2 SER A -8 13.113 23.081 -12.886 1.00 9.57 H new ATOM 0 HB3 SER A -8 11.574 22.243 -12.930 1.00 9.57 H new ATOM 0 HG SER A -8 11.956 23.270 -10.886 1.00 9.77 H new ATOM 30 N SER A -7 11.880 19.022 -13.350 1.00 8.68 N ATOM 31 CA SER A -7 11.053 17.856 -13.061 1.00 8.25 C ATOM 32 C SER A -7 11.917 16.675 -12.615 1.00 7.71 C ATOM 33 O SER A -7 11.410 15.591 -12.333 1.00 7.67 O ATOM 34 CB SER A -7 10.207 17.481 -14.283 1.00 9.17 C ATOM 35 OG SER A -7 9.233 16.500 -13.960 1.00 9.57 O ATOM 0 H SER A -7 11.989 19.230 -14.343 1.00 8.68 H new ATOM 0 HA SER A -7 10.379 18.109 -12.243 1.00 8.25 H new ATOM 0 HB2 SER A -7 9.713 18.371 -14.672 1.00 9.17 H new ATOM 0 HB3 SER A -7 10.855 17.105 -15.074 1.00 9.17 H new ATOM 0 HG SER A -7 9.600 15.882 -13.293 1.00 9.57 H new ATOM 41 N GLY A -6 13.226 16.896 -12.551 1.00 7.61 N ATOM 42 CA GLY A -6 14.118 15.913 -11.967 1.00 7.37 C ATOM 43 C GLY A -6 14.076 15.980 -10.456 1.00 6.38 C ATOM 44 O GLY A -6 14.761 15.228 -9.762 1.00 6.33 O ATOM 0 H GLY A -6 13.685 17.740 -12.894 1.00 7.61 H new ATOM 0 HA2 GLY A -6 13.834 14.915 -12.299 1.00 7.37 H new ATOM 0 HA3 GLY A -6 15.136 16.087 -12.315 1.00 7.37 H new ATOM 48 N HIS A -5 13.244 16.887 -9.959 1.00 5.88 N ATOM 49 CA HIS A -5 13.040 17.071 -8.533 1.00 5.12 C ATOM 50 C HIS A -5 12.304 15.865 -7.968 1.00 4.42 C ATOM 51 O HIS A -5 11.141 15.627 -8.296 1.00 4.55 O ATOM 52 CB HIS A -5 12.218 18.352 -8.301 1.00 5.41 C ATOM 53 CG HIS A -5 12.090 18.766 -6.868 1.00 5.17 C ATOM 54 ND1 HIS A -5 12.827 19.788 -6.312 1.00 5.51 N ATOM 55 CD2 HIS A -5 11.279 18.313 -5.890 1.00 5.06 C ATOM 56 CE1 HIS A -5 12.482 19.938 -5.046 1.00 5.66 C ATOM 57 NE2 HIS A -5 11.542 19.054 -4.768 1.00 5.36 N ATOM 0 H HIS A -5 12.690 17.517 -10.539 1.00 5.88 H new ATOM 0 HA HIS A -5 14.002 17.167 -8.029 1.00 5.12 H new ATOM 0 HB2 HIS A -5 12.677 19.167 -8.860 1.00 5.41 H new ATOM 0 HB3 HIS A -5 11.219 18.205 -8.713 1.00 5.41 H new ATOM 0 HD2 HIS A -5 10.557 17.515 -5.975 1.00 5.06 H new ATOM 0 HE1 HIS A -5 12.897 20.659 -4.357 1.00 5.66 H new ATOM 0 HE2 HIS A -5 11.085 18.941 -3.863 1.00 5.36 H new ATOM 66 N ILE A -4 12.984 15.107 -7.128 1.00 4.01 N ATOM 67 CA ILE A -4 12.402 13.904 -6.563 1.00 3.41 C ATOM 68 C ILE A -4 11.432 14.249 -5.438 1.00 2.79 C ATOM 69 O ILE A -4 11.795 14.894 -4.452 1.00 3.10 O ATOM 70 CB ILE A -4 13.490 12.920 -6.060 1.00 3.87 C ATOM 71 CG1 ILE A -4 12.849 11.662 -5.468 1.00 3.82 C ATOM 72 CG2 ILE A -4 14.409 13.584 -5.041 1.00 4.31 C ATOM 73 CD1 ILE A -4 12.074 10.844 -6.479 1.00 4.25 C ATOM 0 H ILE A -4 13.937 15.302 -6.823 1.00 4.01 H new ATOM 0 HA ILE A -4 11.849 13.406 -7.360 1.00 3.41 H new ATOM 0 HB ILE A -4 14.097 12.629 -6.917 1.00 3.87 H new ATOM 0 HG12 ILE A -4 13.629 11.039 -5.030 1.00 3.82 H new ATOM 0 HG13 ILE A -4 12.180 11.952 -4.658 1.00 3.82 H new ATOM 0 HG21 ILE A -4 15.160 12.868 -4.708 1.00 4.31 H new ATOM 0 HG22 ILE A -4 14.902 14.441 -5.500 1.00 4.31 H new ATOM 0 HG23 ILE A -4 13.822 13.918 -4.185 1.00 4.31 H new ATOM 0 HD11 ILE A -4 11.648 9.969 -5.989 1.00 4.25 H new ATOM 0 HD12 ILE A -4 11.272 11.451 -6.900 1.00 4.25 H new ATOM 0 HD13 ILE A -4 12.743 10.523 -7.277 1.00 4.25 H new ATOM 85 N GLU A -3 10.187 13.855 -5.619 1.00 2.65 N ATOM 86 CA GLU A -3 9.176 14.042 -4.600 1.00 2.74 C ATOM 87 C GLU A -3 8.832 12.701 -3.984 1.00 2.04 C ATOM 88 O GLU A -3 8.895 11.666 -4.656 1.00 2.60 O ATOM 89 CB GLU A -3 7.929 14.683 -5.201 1.00 3.81 C ATOM 90 CG GLU A -3 8.194 16.030 -5.849 1.00 4.47 C ATOM 91 CD GLU A -3 6.993 16.551 -6.598 1.00 5.44 C ATOM 92 OE1 GLU A -3 6.784 16.126 -7.753 1.00 6.04 O ATOM 93 OE2 GLU A -3 6.246 17.381 -6.037 1.00 5.87 O ATOM 0 H GLU A -3 9.851 13.401 -6.468 1.00 2.65 H new ATOM 0 HA GLU A -3 9.563 14.706 -3.827 1.00 2.74 H new ATOM 0 HB2 GLU A -3 7.505 14.008 -5.945 1.00 3.81 H new ATOM 0 HB3 GLU A -3 7.180 14.806 -4.419 1.00 3.81 H new ATOM 0 HG2 GLU A -3 8.481 16.749 -5.082 1.00 4.47 H new ATOM 0 HG3 GLU A -3 9.037 15.941 -6.535 1.00 4.47 H new ATOM 100 N GLY A -2 8.484 12.718 -2.709 1.00 1.45 N ATOM 101 CA GLY A -2 8.162 11.493 -2.017 1.00 1.14 C ATOM 102 C GLY A -2 6.909 10.847 -2.560 1.00 1.05 C ATOM 103 O GLY A -2 5.846 11.457 -2.574 1.00 1.37 O ATOM 0 H GLY A -2 8.419 13.562 -2.140 1.00 1.45 H new ATOM 0 HA2 GLY A -2 8.996 10.797 -2.106 1.00 1.14 H new ATOM 0 HA3 GLY A -2 8.032 11.700 -0.955 1.00 1.14 H new ATOM 107 N ARG A -1 7.045 9.622 -3.032 1.00 0.82 N ATOM 108 CA ARG A -1 5.912 8.860 -3.527 1.00 0.69 C ATOM 109 C ARG A -1 5.956 7.468 -2.913 1.00 0.61 C ATOM 110 O ARG A -1 7.003 7.048 -2.424 1.00 0.73 O ATOM 111 CB ARG A -1 5.920 8.782 -5.064 1.00 0.76 C ATOM 112 CG ARG A -1 6.836 7.712 -5.658 1.00 0.86 C ATOM 113 CD ARG A -1 8.316 8.027 -5.465 1.00 1.44 C ATOM 114 NE ARG A -1 9.178 7.116 -6.222 1.00 1.94 N ATOM 115 CZ ARG A -1 10.450 6.862 -5.914 1.00 2.72 C ATOM 116 NH1 ARG A -1 10.997 7.414 -4.835 1.00 3.04 N ATOM 117 NH2 ARG A -1 11.173 6.055 -6.684 1.00 3.51 N ATOM 0 H ARG A -1 7.937 9.129 -3.083 1.00 0.82 H new ATOM 0 HA ARG A -1 4.988 9.360 -3.238 1.00 0.69 H new ATOM 0 HB2 ARG A -1 4.902 8.597 -5.407 1.00 0.76 H new ATOM 0 HB3 ARG A -1 6.219 9.753 -5.459 1.00 0.76 H new ATOM 0 HG2 ARG A -1 6.611 6.751 -5.197 1.00 0.86 H new ATOM 0 HG3 ARG A -1 6.627 7.611 -6.723 1.00 0.86 H new ATOM 0 HD2 ARG A -1 8.511 9.053 -5.777 1.00 1.44 H new ATOM 0 HD3 ARG A -1 8.564 7.963 -4.406 1.00 1.44 H new ATOM 0 HE ARG A -1 8.780 6.647 -7.036 1.00 1.94 H new ATOM 0 HH11 ARG A -1 10.443 8.032 -4.242 1.00 3.04 H new ATOM 0 HH12 ARG A -1 11.970 7.219 -4.600 1.00 3.04 H new ATOM 0 HH21 ARG A -1 10.755 5.630 -7.511 1.00 3.51 H new ATOM 0 HH22 ARG A -1 12.146 5.861 -6.448 1.00 3.51 H new ATOM 131 N HIS A 0 4.839 6.760 -2.925 1.00 0.50 N ATOM 132 CA HIS A 0 4.801 5.422 -2.352 1.00 0.53 C ATOM 133 C HIS A 0 3.905 4.497 -3.166 1.00 0.44 C ATOM 134 O HIS A 0 2.823 4.885 -3.600 1.00 0.41 O ATOM 135 CB HIS A 0 4.351 5.444 -0.875 1.00 0.61 C ATOM 136 CG HIS A 0 3.007 6.069 -0.609 1.00 0.57 C ATOM 137 ND1 HIS A 0 2.790 6.961 0.416 1.00 0.79 N ATOM 138 CD2 HIS A 0 1.809 5.917 -1.222 1.00 0.51 C ATOM 139 CE1 HIS A 0 1.525 7.331 0.419 1.00 0.85 C ATOM 140 NE2 HIS A 0 0.906 6.714 -0.567 1.00 0.66 N ATOM 0 H HIS A 0 3.956 7.083 -3.320 1.00 0.50 H new ATOM 0 HA HIS A 0 5.819 5.033 -2.386 1.00 0.53 H new ATOM 0 HB2 HIS A 0 4.334 4.419 -0.505 1.00 0.61 H new ATOM 0 HB3 HIS A 0 5.101 5.980 -0.294 1.00 0.61 H new ATOM 0 HD2 HIS A 0 1.603 5.283 -2.072 1.00 0.51 H new ATOM 0 HE1 HIS A 0 1.072 8.024 1.113 1.00 0.85 H new ATOM 0 HE2 HIS A 0 -0.081 6.813 -0.804 1.00 0.66 H new ATOM 149 N MET A 1 4.388 3.296 -3.407 1.00 0.50 N ATOM 150 CA MET A 1 3.569 2.245 -3.981 1.00 0.47 C ATOM 151 C MET A 1 3.471 1.099 -2.983 1.00 0.43 C ATOM 152 O MET A 1 4.410 0.320 -2.832 1.00 0.51 O ATOM 153 CB MET A 1 4.164 1.762 -5.309 1.00 0.56 C ATOM 154 CG MET A 1 3.331 0.698 -6.010 1.00 0.56 C ATOM 155 SD MET A 1 3.989 0.259 -7.632 1.00 0.67 S ATOM 156 CE MET A 1 3.832 1.823 -8.496 1.00 1.75 C ATOM 0 H MET A 1 5.351 3.021 -3.213 1.00 0.50 H new ATOM 0 HA MET A 1 2.571 2.631 -4.189 1.00 0.47 H new ATOM 0 HB2 MET A 1 4.279 2.616 -5.976 1.00 0.56 H new ATOM 0 HB3 MET A 1 5.162 1.365 -5.125 1.00 0.56 H new ATOM 0 HG2 MET A 1 3.288 -0.194 -5.386 1.00 0.56 H new ATOM 0 HG3 MET A 1 2.308 1.058 -6.122 1.00 0.56 H new ATOM 0 HE1 MET A 1 4.098 1.688 -9.544 1.00 1.75 H new ATOM 0 HE2 MET A 1 2.803 2.176 -8.425 1.00 1.75 H new ATOM 0 HE3 MET A 1 4.499 2.557 -8.044 1.00 1.75 H new ATOM 166 N LEU A 2 2.357 1.011 -2.275 1.00 0.34 N ATOM 167 CA LEU A 2 2.214 -0.007 -1.249 1.00 0.32 C ATOM 168 C LEU A 2 1.348 -1.142 -1.766 1.00 0.30 C ATOM 169 O LEU A 2 0.201 -0.932 -2.158 1.00 0.33 O ATOM 170 CB LEU A 2 1.624 0.577 0.047 1.00 0.33 C ATOM 171 CG LEU A 2 1.867 -0.262 1.322 1.00 0.38 C ATOM 172 CD1 LEU A 2 0.836 -1.368 1.466 1.00 0.36 C ATOM 173 CD2 LEU A 2 3.258 -0.882 1.322 1.00 0.50 C ATOM 0 H LEU A 2 1.549 1.623 -2.389 1.00 0.34 H new ATOM 0 HA LEU A 2 3.205 -0.393 -1.012 1.00 0.32 H new ATOM 0 HB2 LEU A 2 2.043 1.571 0.201 1.00 0.33 H new ATOM 0 HB3 LEU A 2 0.549 0.701 -0.087 1.00 0.33 H new ATOM 0 HG LEU A 2 1.778 0.422 2.166 1.00 0.38 H new ATOM 0 HD11 LEU A 2 1.038 -1.938 2.373 1.00 0.36 H new ATOM 0 HD12 LEU A 2 -0.161 -0.931 1.526 1.00 0.36 H new ATOM 0 HD13 LEU A 2 0.890 -2.031 0.602 1.00 0.36 H new ATOM 0 HD21 LEU A 2 3.396 -1.465 2.232 1.00 0.50 H new ATOM 0 HD22 LEU A 2 3.366 -1.533 0.454 1.00 0.50 H new ATOM 0 HD23 LEU A 2 4.008 -0.092 1.280 1.00 0.50 H new ATOM 185 N VAL A 3 1.921 -2.331 -1.783 1.00 0.42 N ATOM 186 CA VAL A 3 1.246 -3.512 -2.260 1.00 0.40 C ATOM 187 C VAL A 3 0.470 -4.201 -1.138 1.00 0.40 C ATOM 188 O VAL A 3 0.997 -4.446 -0.053 1.00 0.52 O ATOM 189 CB VAL A 3 2.262 -4.484 -2.875 1.00 0.54 C ATOM 190 CG1 VAL A 3 2.608 -4.063 -4.297 1.00 1.03 C ATOM 191 CG2 VAL A 3 3.525 -4.553 -2.026 1.00 1.53 C ATOM 0 H VAL A 3 2.875 -2.500 -1.463 1.00 0.42 H new ATOM 0 HA VAL A 3 0.530 -3.207 -3.024 1.00 0.40 H new ATOM 0 HB VAL A 3 1.810 -5.475 -2.903 1.00 0.54 H new ATOM 0 HG11 VAL A 3 3.330 -4.763 -4.718 1.00 1.03 H new ATOM 0 HG12 VAL A 3 1.704 -4.063 -4.906 1.00 1.03 H new ATOM 0 HG13 VAL A 3 3.038 -3.062 -4.285 1.00 1.03 H new ATOM 0 HG21 VAL A 3 4.231 -5.248 -2.480 1.00 1.53 H new ATOM 0 HG22 VAL A 3 3.977 -3.563 -1.966 1.00 1.53 H new ATOM 0 HG23 VAL A 3 3.271 -4.898 -1.024 1.00 1.53 H new ATOM 201 N LEU A 4 -0.781 -4.511 -1.423 1.00 0.34 N ATOM 202 CA LEU A 4 -1.679 -5.153 -0.479 1.00 0.41 C ATOM 203 C LEU A 4 -1.946 -6.570 -0.959 1.00 0.36 C ATOM 204 O LEU A 4 -2.181 -6.786 -2.144 1.00 0.32 O ATOM 205 CB LEU A 4 -3.039 -4.442 -0.406 1.00 0.49 C ATOM 206 CG LEU A 4 -3.069 -2.922 -0.294 1.00 0.96 C ATOM 207 CD1 LEU A 4 -2.645 -2.258 -1.594 1.00 1.85 C ATOM 208 CD2 LEU A 4 -4.476 -2.495 0.085 1.00 1.66 C ATOM 0 H LEU A 4 -1.209 -4.322 -2.329 1.00 0.34 H new ATOM 0 HA LEU A 4 -1.206 -5.123 0.503 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -3.604 -4.718 -1.296 1.00 0.49 H new ATOM 0 HB3 LEU A 4 -3.577 -4.847 0.451 1.00 0.49 H new ATOM 0 HG LEU A 4 -2.360 -2.607 0.472 1.00 0.96 H new ATOM 0 HD11 LEU A 4 -2.678 -1.175 -1.477 1.00 1.85 H new ATOM 0 HD12 LEU A 4 -1.630 -2.565 -1.845 1.00 1.85 H new ATOM 0 HD13 LEU A 4 -3.323 -2.558 -2.394 1.00 1.85 H new ATOM 0 HD21 LEU A 4 -4.516 -1.409 0.170 1.00 1.66 H new ATOM 0 HD22 LEU A 4 -5.176 -2.825 -0.683 1.00 1.66 H new ATOM 0 HD23 LEU A 4 -4.747 -2.944 1.041 1.00 1.66 H new ATOM 220 N SER A 5 -1.952 -7.525 -0.062 1.00 0.42 N ATOM 221 CA SER A 5 -2.173 -8.905 -0.458 1.00 0.43 C ATOM 222 C SER A 5 -3.666 -9.245 -0.431 1.00 0.43 C ATOM 223 O SER A 5 -4.251 -9.460 0.628 1.00 0.55 O ATOM 224 CB SER A 5 -1.369 -9.838 0.446 1.00 0.55 C ATOM 225 OG SER A 5 -1.389 -9.389 1.790 1.00 1.19 O ATOM 0 H SER A 5 -1.809 -7.381 0.938 1.00 0.42 H new ATOM 0 HA SER A 5 -1.828 -9.041 -1.483 1.00 0.43 H new ATOM 0 HB2 SER A 5 -1.779 -10.846 0.390 1.00 0.55 H new ATOM 0 HB3 SER A 5 -0.339 -9.893 0.093 1.00 0.55 H new ATOM 0 HG SER A 5 -0.869 -10.004 2.348 1.00 1.19 H new ATOM 231 N ARG A 6 -4.277 -9.288 -1.613 1.00 0.37 N ATOM 232 CA ARG A 6 -5.708 -9.552 -1.742 1.00 0.42 C ATOM 233 C ARG A 6 -5.948 -10.276 -3.058 1.00 0.38 C ATOM 234 O ARG A 6 -5.735 -9.700 -4.129 1.00 0.37 O ATOM 235 CB ARG A 6 -6.480 -8.230 -1.708 1.00 0.50 C ATOM 236 CG ARG A 6 -7.995 -8.367 -1.726 1.00 0.96 C ATOM 237 CD ARG A 6 -8.555 -8.754 -0.367 1.00 1.31 C ATOM 238 NE ARG A 6 -9.988 -8.486 -0.291 1.00 1.92 N ATOM 239 CZ ARG A 6 -10.685 -8.401 0.840 1.00 2.57 C ATOM 240 NH1 ARG A 6 -10.124 -8.700 2.006 1.00 2.77 N ATOM 241 NH2 ARG A 6 -11.961 -8.042 0.796 1.00 3.50 N ATOM 0 H ARG A 6 -3.798 -9.142 -2.502 1.00 0.37 H new ATOM 0 HA ARG A 6 -6.055 -10.173 -0.917 1.00 0.42 H new ATOM 0 HB2 ARG A 6 -6.191 -7.681 -0.812 1.00 0.50 H new ATOM 0 HB3 ARG A 6 -6.175 -7.627 -2.563 1.00 0.50 H new ATOM 0 HG2 ARG A 6 -8.439 -7.424 -2.044 1.00 0.96 H new ATOM 0 HG3 ARG A 6 -8.281 -9.119 -2.462 1.00 0.96 H new ATOM 0 HD2 ARG A 6 -8.370 -9.812 -0.182 1.00 1.31 H new ATOM 0 HD3 ARG A 6 -8.036 -8.199 0.415 1.00 1.31 H new ATOM 0 HE ARG A 6 -10.492 -8.354 -1.168 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -9.149 -8.998 2.041 1.00 2.77 H new ATOM 0 HH12 ARG A 6 -10.668 -8.631 2.866 1.00 2.77 H new ATOM 0 HH21 ARG A 6 -12.401 -7.833 -0.100 1.00 3.50 H new ATOM 0 HH22 ARG A 6 -12.502 -7.975 1.658 1.00 3.50 H new ATOM 255 N LYS A 7 -6.448 -11.499 -2.988 1.00 0.40 N ATOM 256 CA LYS A 7 -6.430 -12.387 -4.148 1.00 0.42 C ATOM 257 C LYS A 7 -7.804 -12.490 -4.789 1.00 0.45 C ATOM 258 O LYS A 7 -8.082 -13.403 -5.565 1.00 0.61 O ATOM 259 CB LYS A 7 -5.914 -13.780 -3.750 1.00 0.47 C ATOM 260 CG LYS A 7 -4.528 -13.762 -3.110 1.00 0.64 C ATOM 261 CD LYS A 7 -4.596 -13.491 -1.614 1.00 0.77 C ATOM 262 CE LYS A 7 -3.301 -12.908 -1.082 1.00 0.66 C ATOM 263 NZ LYS A 7 -3.354 -12.733 0.397 1.00 0.85 N ATOM 0 H LYS A 7 -6.869 -11.901 -2.150 1.00 0.40 H new ATOM 0 HA LYS A 7 -5.751 -11.959 -4.886 1.00 0.42 H new ATOM 0 HB2 LYS A 7 -6.620 -14.234 -3.054 1.00 0.47 H new ATOM 0 HB3 LYS A 7 -5.887 -14.414 -4.636 1.00 0.47 H new ATOM 0 HG2 LYS A 7 -4.036 -14.719 -3.283 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -3.917 -12.998 -3.590 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -5.415 -12.802 -1.407 1.00 0.77 H new ATOM 0 HD3 LYS A 7 -4.819 -14.419 -1.087 1.00 0.77 H new ATOM 0 HE2 LYS A 7 -2.470 -13.563 -1.343 1.00 0.66 H new ATOM 0 HE3 LYS A 7 -3.110 -11.946 -1.558 1.00 0.66 H new ATOM 0 HZ1 LYS A 7 -2.400 -12.850 0.795 1.00 0.85 H new ATOM 0 HZ2 LYS A 7 -3.708 -11.781 0.621 1.00 0.85 H new ATOM 0 HZ3 LYS A 7 -3.990 -13.445 0.808 1.00 0.85 H new ATOM 277 N ILE A 8 -8.650 -11.523 -4.477 1.00 0.47 N ATOM 278 CA ILE A 8 -10.011 -11.495 -4.993 1.00 0.53 C ATOM 279 C ILE A 8 -10.100 -10.582 -6.211 1.00 0.54 C ATOM 280 O ILE A 8 -11.121 -10.528 -6.893 1.00 0.66 O ATOM 281 CB ILE A 8 -10.979 -11.016 -3.892 1.00 0.62 C ATOM 282 CG1 ILE A 8 -10.595 -11.661 -2.551 1.00 0.66 C ATOM 283 CG2 ILE A 8 -12.419 -11.362 -4.256 1.00 0.72 C ATOM 284 CD1 ILE A 8 -11.503 -11.280 -1.400 1.00 1.17 C ATOM 0 H ILE A 8 -8.417 -10.741 -3.865 1.00 0.47 H new ATOM 0 HA ILE A 8 -10.293 -12.503 -5.298 1.00 0.53 H new ATOM 0 HB ILE A 8 -10.903 -9.932 -3.801 1.00 0.62 H new ATOM 0 HG12 ILE A 8 -10.606 -12.745 -2.665 1.00 0.66 H new ATOM 0 HG13 ILE A 8 -9.572 -11.377 -2.303 1.00 0.66 H new ATOM 0 HG21 ILE A 8 -13.087 -11.016 -3.467 1.00 0.72 H new ATOM 0 HG22 ILE A 8 -12.684 -10.876 -5.195 1.00 0.72 H new ATOM 0 HG23 ILE A 8 -12.517 -12.442 -4.367 1.00 0.72 H new ATOM 0 HD11 ILE A 8 -11.165 -11.776 -0.490 1.00 1.17 H new ATOM 0 HD12 ILE A 8 -11.475 -10.200 -1.256 1.00 1.17 H new ATOM 0 HD13 ILE A 8 -12.524 -11.589 -1.624 1.00 1.17 H new ATOM 296 N ASN A 9 -8.982 -9.909 -6.485 1.00 0.50 N ATOM 297 CA ASN A 9 -8.867 -8.900 -7.545 1.00 0.51 C ATOM 298 C ASN A 9 -10.161 -8.149 -7.777 1.00 0.56 C ATOM 299 O ASN A 9 -10.834 -8.306 -8.793 1.00 0.74 O ATOM 300 CB ASN A 9 -8.320 -9.494 -8.837 1.00 0.60 C ATOM 301 CG ASN A 9 -7.020 -10.206 -8.593 1.00 1.27 C ATOM 302 OD1 ASN A 9 -6.267 -9.830 -7.688 1.00 2.27 O ATOM 303 ND2 ASN A 9 -6.753 -11.238 -9.376 1.00 1.56 N ATOM 0 H ASN A 9 -8.114 -10.050 -5.969 1.00 0.50 H new ATOM 0 HA ASN A 9 -8.142 -8.166 -7.193 1.00 0.51 H new ATOM 0 HB2 ASN A 9 -9.046 -10.189 -9.258 1.00 0.60 H new ATOM 0 HB3 ASN A 9 -8.173 -8.703 -9.572 1.00 0.60 H new ATOM 0 HD21 ASN A 9 -5.890 -11.766 -9.247 1.00 1.56 H new ATOM 0 HD22 ASN A 9 -7.410 -11.506 -10.109 1.00 1.56 H new ATOM 310 N GLU A 10 -10.494 -7.358 -6.782 1.00 0.74 N ATOM 311 CA GLU A 10 -11.679 -6.531 -6.773 1.00 0.81 C ATOM 312 C GLU A 10 -11.269 -5.085 -7.046 1.00 0.77 C ATOM 313 O GLU A 10 -10.438 -4.825 -7.916 1.00 1.04 O ATOM 314 CB GLU A 10 -12.322 -6.676 -5.393 1.00 0.87 C ATOM 315 CG GLU A 10 -11.290 -6.626 -4.273 1.00 0.82 C ATOM 316 CD GLU A 10 -11.825 -7.090 -2.942 1.00 0.95 C ATOM 317 OE1 GLU A 10 -12.674 -6.397 -2.360 1.00 1.12 O ATOM 318 OE2 GLU A 10 -11.383 -8.154 -2.473 1.00 1.11 O ATOM 0 H GLU A 10 -9.933 -7.270 -5.935 1.00 0.74 H new ATOM 0 HA GLU A 10 -12.393 -6.830 -7.540 1.00 0.81 H new ATOM 0 HB2 GLU A 10 -13.053 -5.880 -5.248 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -12.865 -7.620 -5.344 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -10.436 -7.245 -4.548 1.00 0.82 H new ATOM 0 HG3 GLU A 10 -10.924 -5.604 -4.172 1.00 0.82 H new ATOM 325 N ALA A 11 -11.831 -4.158 -6.302 1.00 0.53 N ATOM 326 CA ALA A 11 -11.403 -2.771 -6.347 1.00 0.46 C ATOM 327 C ALA A 11 -11.549 -2.176 -4.964 1.00 0.38 C ATOM 328 O ALA A 11 -12.556 -2.396 -4.298 1.00 0.41 O ATOM 329 CB ALA A 11 -12.212 -1.983 -7.369 1.00 0.56 C ATOM 0 H ALA A 11 -12.594 -4.340 -5.650 1.00 0.53 H new ATOM 0 HA ALA A 11 -10.359 -2.721 -6.657 1.00 0.46 H new ATOM 0 HB1 ALA A 11 -11.871 -0.948 -7.383 1.00 0.56 H new ATOM 0 HB2 ALA A 11 -12.077 -2.423 -8.357 1.00 0.56 H new ATOM 0 HB3 ALA A 11 -13.268 -2.014 -7.100 1.00 0.56 H new ATOM 335 N ILE A 12 -10.550 -1.437 -4.520 1.00 0.34 N ATOM 336 CA ILE A 12 -10.564 -0.927 -3.163 1.00 0.32 C ATOM 337 C ILE A 12 -10.860 0.564 -3.159 1.00 0.28 C ATOM 338 O ILE A 12 -10.043 1.378 -3.590 1.00 0.33 O ATOM 339 CB ILE A 12 -9.226 -1.195 -2.439 1.00 0.39 C ATOM 340 CG1 ILE A 12 -8.862 -2.683 -2.501 1.00 0.42 C ATOM 341 CG2 ILE A 12 -9.296 -0.734 -0.990 1.00 0.46 C ATOM 342 CD1 ILE A 12 -9.881 -3.595 -1.847 1.00 0.98 C ATOM 0 H ILE A 12 -9.730 -1.180 -5.070 1.00 0.34 H new ATOM 0 HA ILE A 12 -11.352 -1.454 -2.625 1.00 0.32 H new ATOM 0 HB ILE A 12 -8.449 -0.626 -2.949 1.00 0.39 H new ATOM 0 HG12 ILE A 12 -8.746 -2.975 -3.545 1.00 0.42 H new ATOM 0 HG13 ILE A 12 -7.896 -2.830 -2.019 1.00 0.42 H new ATOM 0 HG21 ILE A 12 -8.343 -0.932 -0.499 1.00 0.46 H new ATOM 0 HG22 ILE A 12 -9.505 0.335 -0.958 1.00 0.46 H new ATOM 0 HG23 ILE A 12 -10.090 -1.275 -0.474 1.00 0.46 H new ATOM 0 HD11 ILE A 12 -9.551 -4.630 -1.933 1.00 0.98 H new ATOM 0 HD12 ILE A 12 -9.981 -3.332 -0.794 1.00 0.98 H new ATOM 0 HD13 ILE A 12 -10.845 -3.479 -2.343 1.00 0.98 H new ATOM 354 N GLN A 13 -12.050 0.895 -2.691 1.00 0.25 N ATOM 355 CA GLN A 13 -12.488 2.275 -2.549 1.00 0.26 C ATOM 356 C GLN A 13 -12.616 2.601 -1.078 1.00 0.25 C ATOM 357 O GLN A 13 -13.586 2.214 -0.424 1.00 0.30 O ATOM 358 CB GLN A 13 -13.830 2.476 -3.264 1.00 0.33 C ATOM 359 CG GLN A 13 -14.540 3.786 -2.930 1.00 0.40 C ATOM 360 CD GLN A 13 -13.816 5.014 -3.437 1.00 0.81 C ATOM 361 OE1 GLN A 13 -14.043 5.458 -4.558 1.00 1.62 O ATOM 362 NE2 GLN A 13 -12.950 5.582 -2.610 1.00 0.91 N ATOM 0 H GLN A 13 -12.746 0.210 -2.396 1.00 0.25 H new ATOM 0 HA GLN A 13 -11.757 2.944 -3.003 1.00 0.26 H new ATOM 0 HB2 GLN A 13 -13.663 2.433 -4.340 1.00 0.33 H new ATOM 0 HB3 GLN A 13 -14.489 1.646 -3.010 1.00 0.33 H new ATOM 0 HG2 GLN A 13 -15.543 3.764 -3.356 1.00 0.40 H new ATOM 0 HG3 GLN A 13 -14.654 3.862 -1.849 1.00 0.40 H new ATOM 0 HE21 GLN A 13 -12.790 5.182 -1.686 1.00 0.91 H new ATOM 0 HE22 GLN A 13 -12.444 6.420 -2.898 1.00 0.91 H new ATOM 371 N ILE A 14 -11.620 3.279 -0.545 1.00 0.25 N ATOM 372 CA ILE A 14 -11.645 3.653 0.848 1.00 0.26 C ATOM 373 C ILE A 14 -11.694 5.164 1.008 1.00 0.29 C ATOM 374 O ILE A 14 -10.764 5.896 0.613 1.00 0.30 O ATOM 375 CB ILE A 14 -10.471 3.057 1.666 1.00 0.26 C ATOM 376 CG1 ILE A 14 -9.097 3.421 1.074 1.00 0.28 C ATOM 377 CG2 ILE A 14 -10.628 1.547 1.768 1.00 0.29 C ATOM 378 CD1 ILE A 14 -8.639 2.531 -0.062 1.00 0.31 C ATOM 0 H ILE A 14 -10.789 3.579 -1.055 1.00 0.25 H new ATOM 0 HA ILE A 14 -12.559 3.222 1.257 1.00 0.26 H new ATOM 0 HB ILE A 14 -10.508 3.495 2.663 1.00 0.26 H new ATOM 0 HG12 ILE A 14 -9.131 4.451 0.719 1.00 0.28 H new ATOM 0 HG13 ILE A 14 -8.353 3.383 1.869 1.00 0.28 H new ATOM 0 HG21 ILE A 14 -9.800 1.133 2.344 1.00 0.29 H new ATOM 0 HG22 ILE A 14 -11.569 1.312 2.265 1.00 0.29 H new ATOM 0 HG23 ILE A 14 -10.627 1.113 0.768 1.00 0.29 H new ATOM 0 HD11 ILE A 14 -7.663 2.864 -0.414 1.00 0.31 H new ATOM 0 HD12 ILE A 14 -8.567 1.502 0.289 1.00 0.31 H new ATOM 0 HD13 ILE A 14 -9.358 2.586 -0.880 1.00 0.31 H new ATOM 390 N GLY A 15 -12.835 5.624 1.501 1.00 0.33 N ATOM 391 CA GLY A 15 -12.996 7.000 1.884 1.00 0.39 C ATOM 392 C GLY A 15 -13.253 7.896 0.701 1.00 0.59 C ATOM 393 O GLY A 15 -14.382 8.339 0.481 1.00 1.36 O ATOM 0 H GLY A 15 -13.665 5.049 1.642 1.00 0.33 H new ATOM 0 HA2 GLY A 15 -13.824 7.084 2.588 1.00 0.39 H new ATOM 0 HA3 GLY A 15 -12.100 7.337 2.405 1.00 0.39 H new ATOM 397 N ALA A 16 -12.208 8.100 -0.088 1.00 0.46 N ATOM 398 CA ALA A 16 -12.218 9.051 -1.190 1.00 0.51 C ATOM 399 C ALA A 16 -10.797 9.312 -1.659 1.00 0.49 C ATOM 400 O ALA A 16 -10.565 9.682 -2.809 1.00 0.71 O ATOM 401 CB ALA A 16 -12.858 10.374 -0.787 1.00 0.71 C ATOM 0 H ALA A 16 -11.322 7.606 0.020 1.00 0.46 H new ATOM 0 HA ALA A 16 -12.808 8.614 -1.995 1.00 0.51 H new ATOM 0 HB1 ALA A 16 -12.847 11.057 -1.636 1.00 0.71 H new ATOM 0 HB2 ALA A 16 -13.888 10.200 -0.475 1.00 0.71 H new ATOM 0 HB3 ALA A 16 -12.298 10.812 0.039 1.00 0.71 H new ATOM 407 N ASP A 17 -9.845 9.107 -0.755 1.00 0.45 N ATOM 408 CA ASP A 17 -8.451 9.402 -1.037 1.00 0.47 C ATOM 409 C ASP A 17 -7.871 8.325 -1.928 1.00 0.40 C ATOM 410 O ASP A 17 -7.148 8.618 -2.878 1.00 0.45 O ATOM 411 CB ASP A 17 -7.639 9.522 0.259 1.00 0.53 C ATOM 412 CG ASP A 17 -6.224 10.018 0.012 1.00 1.10 C ATOM 413 OD1 ASP A 17 -6.053 11.229 -0.228 1.00 1.04 O ATOM 414 OD2 ASP A 17 -5.275 9.210 0.071 1.00 1.80 O ATOM 0 H ASP A 17 -10.017 8.737 0.180 1.00 0.45 H new ATOM 0 HA ASP A 17 -8.397 10.361 -1.553 1.00 0.47 H new ATOM 0 HB2 ASP A 17 -8.147 10.204 0.941 1.00 0.53 H new ATOM 0 HB3 ASP A 17 -7.600 8.550 0.751 1.00 0.53 H new ATOM 419 N ILE A 18 -8.228 7.074 -1.654 1.00 0.35 N ATOM 420 CA ILE A 18 -7.713 5.976 -2.449 1.00 0.35 C ATOM 421 C ILE A 18 -8.835 5.092 -2.984 1.00 0.31 C ATOM 422 O ILE A 18 -9.665 4.576 -2.233 1.00 0.30 O ATOM 423 CB ILE A 18 -6.699 5.118 -1.655 1.00 0.41 C ATOM 424 CG1 ILE A 18 -5.448 5.937 -1.312 1.00 0.54 C ATOM 425 CG2 ILE A 18 -6.312 3.873 -2.442 1.00 0.41 C ATOM 426 CD1 ILE A 18 -4.692 6.446 -2.523 1.00 0.61 C ATOM 0 H ILE A 18 -8.860 6.803 -0.901 1.00 0.35 H new ATOM 0 HA ILE A 18 -7.194 6.425 -3.296 1.00 0.35 H new ATOM 0 HB ILE A 18 -7.176 4.806 -0.726 1.00 0.41 H new ATOM 0 HG12 ILE A 18 -5.741 6.787 -0.696 1.00 0.54 H new ATOM 0 HG13 ILE A 18 -4.778 5.323 -0.710 1.00 0.54 H new ATOM 0 HG21 ILE A 18 -5.599 3.285 -1.865 1.00 0.41 H new ATOM 0 HG22 ILE A 18 -7.202 3.275 -2.637 1.00 0.41 H new ATOM 0 HG23 ILE A 18 -5.858 4.167 -3.388 1.00 0.41 H new ATOM 0 HD11 ILE A 18 -3.822 7.015 -2.196 1.00 0.61 H new ATOM 0 HD12 ILE A 18 -4.366 5.601 -3.130 1.00 0.61 H new ATOM 0 HD13 ILE A 18 -5.344 7.088 -3.115 1.00 0.61 H new ATOM 438 N GLU A 19 -8.873 4.977 -4.301 1.00 0.34 N ATOM 439 CA GLU A 19 -9.746 4.030 -4.981 1.00 0.35 C ATOM 440 C GLU A 19 -9.011 3.396 -6.163 1.00 0.36 C ATOM 441 O GLU A 19 -8.690 4.086 -7.133 1.00 0.44 O ATOM 442 CB GLU A 19 -11.015 4.736 -5.473 1.00 0.47 C ATOM 443 CG GLU A 19 -10.735 5.999 -6.276 1.00 1.35 C ATOM 444 CD GLU A 19 -11.963 6.539 -6.974 1.00 1.71 C ATOM 445 OE1 GLU A 19 -12.282 6.061 -8.082 1.00 2.27 O ATOM 446 OE2 GLU A 19 -12.603 7.461 -6.431 1.00 2.07 O ATOM 0 H GLU A 19 -8.299 5.538 -4.931 1.00 0.34 H new ATOM 0 HA GLU A 19 -10.029 3.248 -4.277 1.00 0.35 H new ATOM 0 HB2 GLU A 19 -11.591 4.044 -6.088 1.00 0.47 H new ATOM 0 HB3 GLU A 19 -11.635 4.991 -4.614 1.00 0.47 H new ATOM 0 HG2 GLU A 19 -10.335 6.765 -5.611 1.00 1.35 H new ATOM 0 HG3 GLU A 19 -9.965 5.788 -7.018 1.00 1.35 H new ATOM 453 N VAL A 20 -8.740 2.089 -6.080 1.00 0.36 N ATOM 454 CA VAL A 20 -8.033 1.383 -7.147 1.00 0.43 C ATOM 455 C VAL A 20 -7.625 -0.016 -6.693 1.00 0.39 C ATOM 456 O VAL A 20 -7.471 -0.272 -5.497 1.00 0.36 O ATOM 457 CB VAL A 20 -6.757 2.150 -7.595 1.00 0.52 C ATOM 458 CG1 VAL A 20 -5.692 2.148 -6.505 1.00 0.52 C ATOM 459 CG2 VAL A 20 -6.200 1.587 -8.898 1.00 0.67 C ATOM 0 H VAL A 20 -9.000 1.503 -5.287 1.00 0.36 H new ATOM 0 HA VAL A 20 -8.722 1.315 -7.989 1.00 0.43 H new ATOM 0 HB VAL A 20 -7.049 3.185 -7.773 1.00 0.52 H new ATOM 0 HG11 VAL A 20 -4.814 2.693 -6.853 1.00 0.52 H new ATOM 0 HG12 VAL A 20 -6.087 2.629 -5.610 1.00 0.52 H new ATOM 0 HG13 VAL A 20 -5.412 1.121 -6.272 1.00 0.52 H new ATOM 0 HG21 VAL A 20 -5.308 2.145 -9.184 1.00 0.67 H new ATOM 0 HG22 VAL A 20 -5.942 0.537 -8.760 1.00 0.67 H new ATOM 0 HG23 VAL A 20 -6.951 1.676 -9.683 1.00 0.67 H new ATOM 469 N LYS A 21 -7.512 -0.932 -7.642 1.00 0.44 N ATOM 470 CA LYS A 21 -6.829 -2.183 -7.408 1.00 0.44 C ATOM 471 C LYS A 21 -5.859 -2.464 -8.530 1.00 0.46 C ATOM 472 O LYS A 21 -6.240 -2.941 -9.596 1.00 0.57 O ATOM 473 CB LYS A 21 -7.794 -3.352 -7.246 1.00 0.55 C ATOM 474 CG LYS A 21 -7.942 -3.787 -5.802 1.00 1.51 C ATOM 475 CD LYS A 21 -8.178 -5.289 -5.672 1.00 2.23 C ATOM 476 CE LYS A 21 -7.160 -6.084 -6.482 1.00 3.01 C ATOM 477 NZ LYS A 21 -6.844 -7.410 -5.873 1.00 3.67 N ATOM 0 H LYS A 21 -7.888 -0.826 -8.584 1.00 0.44 H new ATOM 0 HA LYS A 21 -6.285 -2.081 -6.469 1.00 0.44 H new ATOM 0 HB2 LYS A 21 -8.771 -3.070 -7.639 1.00 0.55 H new ATOM 0 HB3 LYS A 21 -7.442 -4.194 -7.842 1.00 0.55 H new ATOM 0 HG2 LYS A 21 -7.044 -3.513 -5.248 1.00 1.51 H new ATOM 0 HG3 LYS A 21 -8.774 -3.250 -5.346 1.00 1.51 H new ATOM 0 HD2 LYS A 21 -8.117 -5.579 -4.623 1.00 2.23 H new ATOM 0 HD3 LYS A 21 -9.185 -5.531 -6.012 1.00 2.23 H new ATOM 0 HE2 LYS A 21 -7.544 -6.235 -7.491 1.00 3.01 H new ATOM 0 HE3 LYS A 21 -6.242 -5.503 -6.573 1.00 3.01 H new ATOM 0 HZ1 LYS A 21 -6.466 -8.046 -6.604 1.00 3.67 H new ATOM 0 HZ2 LYS A 21 -6.136 -7.287 -5.121 1.00 3.67 H new ATOM 0 HZ3 LYS A 21 -7.710 -7.822 -5.470 1.00 3.67 H new ATOM 491 N VAL A 22 -4.603 -2.162 -8.280 1.00 0.40 N ATOM 492 CA VAL A 22 -3.548 -2.515 -9.209 1.00 0.42 C ATOM 493 C VAL A 22 -3.114 -3.938 -8.917 1.00 0.38 C ATOM 494 O VAL A 22 -2.475 -4.197 -7.906 1.00 0.39 O ATOM 495 CB VAL A 22 -2.333 -1.568 -9.083 1.00 0.54 C ATOM 496 CG1 VAL A 22 -1.242 -1.944 -10.077 1.00 1.32 C ATOM 497 CG2 VAL A 22 -2.757 -0.121 -9.283 1.00 0.82 C ATOM 0 H VAL A 22 -4.286 -1.673 -7.442 1.00 0.40 H new ATOM 0 HA VAL A 22 -3.931 -2.424 -10.226 1.00 0.42 H new ATOM 0 HB VAL A 22 -1.928 -1.675 -8.077 1.00 0.54 H new ATOM 0 HG11 VAL A 22 -0.399 -1.262 -9.967 1.00 1.32 H new ATOM 0 HG12 VAL A 22 -0.911 -2.964 -9.885 1.00 1.32 H new ATOM 0 HG13 VAL A 22 -1.635 -1.875 -11.091 1.00 1.32 H new ATOM 0 HG21 VAL A 22 -1.887 0.529 -9.190 1.00 0.82 H new ATOM 0 HG22 VAL A 22 -3.194 -0.004 -10.275 1.00 0.82 H new ATOM 0 HG23 VAL A 22 -3.494 0.150 -8.527 1.00 0.82 H new ATOM 507 N ILE A 23 -3.477 -4.857 -9.790 1.00 0.39 N ATOM 508 CA ILE A 23 -3.222 -6.261 -9.542 1.00 0.38 C ATOM 509 C ILE A 23 -1.885 -6.660 -10.144 1.00 0.41 C ATOM 510 O ILE A 23 -1.677 -6.552 -11.353 1.00 0.50 O ATOM 511 CB ILE A 23 -4.362 -7.141 -10.093 1.00 0.45 C ATOM 512 CG1 ILE A 23 -5.704 -6.635 -9.561 1.00 0.51 C ATOM 513 CG2 ILE A 23 -4.144 -8.593 -9.703 1.00 0.48 C ATOM 514 CD1 ILE A 23 -6.868 -6.913 -10.488 1.00 1.39 C ATOM 0 H ILE A 23 -3.947 -4.658 -10.673 1.00 0.39 H new ATOM 0 HA ILE A 23 -3.181 -6.420 -8.464 1.00 0.38 H new ATOM 0 HB ILE A 23 -4.368 -7.080 -11.181 1.00 0.45 H new ATOM 0 HG12 ILE A 23 -5.901 -7.100 -8.595 1.00 0.51 H new ATOM 0 HG13 ILE A 23 -5.636 -5.561 -9.390 1.00 0.51 H new ATOM 0 HG21 ILE A 23 -4.957 -9.202 -10.099 1.00 0.48 H new ATOM 0 HG22 ILE A 23 -3.196 -8.942 -10.113 1.00 0.48 H new ATOM 0 HG23 ILE A 23 -4.123 -8.679 -8.617 1.00 0.48 H new ATOM 0 HD11 ILE A 23 -7.786 -6.526 -10.045 1.00 1.39 H new ATOM 0 HD12 ILE A 23 -6.694 -6.425 -11.447 1.00 1.39 H new ATOM 0 HD13 ILE A 23 -6.963 -7.988 -10.640 1.00 1.39 H new ATOM 526 N ALA A 24 -0.986 -7.111 -9.289 1.00 0.38 N ATOM 527 CA ALA A 24 0.388 -7.355 -9.684 1.00 0.45 C ATOM 528 C ALA A 24 0.825 -8.775 -9.338 1.00 0.41 C ATOM 529 O ALA A 24 0.044 -9.568 -8.806 1.00 0.39 O ATOM 530 CB ALA A 24 1.305 -6.343 -9.017 1.00 0.55 C ATOM 0 H ALA A 24 -1.185 -7.317 -8.310 1.00 0.38 H new ATOM 0 HA ALA A 24 0.454 -7.243 -10.766 1.00 0.45 H new ATOM 0 HB1 ALA A 24 2.335 -6.532 -9.318 1.00 0.55 H new ATOM 0 HB2 ALA A 24 1.017 -5.336 -9.320 1.00 0.55 H new ATOM 0 HB3 ALA A 24 1.221 -6.434 -7.934 1.00 0.55 H new ATOM 536 N VAL A 25 2.082 -9.079 -9.631 1.00 0.56 N ATOM 537 CA VAL A 25 2.611 -10.425 -9.466 1.00 0.60 C ATOM 538 C VAL A 25 3.241 -10.615 -8.087 1.00 0.56 C ATOM 539 O VAL A 25 4.066 -9.815 -7.645 1.00 0.78 O ATOM 540 CB VAL A 25 3.662 -10.745 -10.551 1.00 0.91 C ATOM 541 CG1 VAL A 25 4.106 -12.198 -10.467 1.00 1.48 C ATOM 542 CG2 VAL A 25 3.119 -10.430 -11.934 1.00 1.67 C ATOM 0 H VAL A 25 2.759 -8.405 -9.987 1.00 0.56 H new ATOM 0 HA VAL A 25 1.769 -11.110 -9.566 1.00 0.60 H new ATOM 0 HB VAL A 25 4.533 -10.114 -10.373 1.00 0.91 H new ATOM 0 HG11 VAL A 25 4.846 -12.398 -11.242 1.00 1.48 H new ATOM 0 HG12 VAL A 25 4.545 -12.388 -9.488 1.00 1.48 H new ATOM 0 HG13 VAL A 25 3.245 -12.851 -10.611 1.00 1.48 H new ATOM 0 HG21 VAL A 25 3.875 -10.663 -12.684 1.00 1.67 H new ATOM 0 HG22 VAL A 25 2.228 -11.029 -12.120 1.00 1.67 H new ATOM 0 HG23 VAL A 25 2.864 -9.372 -11.992 1.00 1.67 H new ATOM 552 N GLU A 26 2.823 -11.675 -7.411 1.00 0.43 N ATOM 553 CA GLU A 26 3.426 -12.092 -6.151 1.00 0.48 C ATOM 554 C GLU A 26 3.900 -13.537 -6.308 1.00 0.53 C ATOM 555 O GLU A 26 3.842 -14.345 -5.380 1.00 0.68 O ATOM 556 CB GLU A 26 2.395 -11.976 -5.023 1.00 0.51 C ATOM 557 CG GLU A 26 2.945 -12.212 -3.625 1.00 0.74 C ATOM 558 CD GLU A 26 3.843 -11.101 -3.132 1.00 1.01 C ATOM 559 OE1 GLU A 26 4.884 -10.862 -3.779 1.00 1.85 O ATOM 560 OE2 GLU A 26 3.530 -10.479 -2.097 1.00 1.50 O ATOM 0 H GLU A 26 2.056 -12.272 -7.720 1.00 0.43 H new ATOM 0 HA GLU A 26 4.274 -11.455 -5.899 1.00 0.48 H new ATOM 0 HB2 GLU A 26 1.949 -10.982 -5.059 1.00 0.51 H new ATOM 0 HB3 GLU A 26 1.594 -12.692 -5.208 1.00 0.51 H new ATOM 0 HG2 GLU A 26 2.113 -12.330 -2.931 1.00 0.74 H new ATOM 0 HG3 GLU A 26 3.502 -13.149 -3.616 1.00 0.74 H new ATOM 567 N GLY A 27 4.360 -13.854 -7.511 1.00 0.54 N ATOM 568 CA GLY A 27 4.744 -15.210 -7.833 1.00 0.60 C ATOM 569 C GLY A 27 3.529 -16.070 -8.099 1.00 0.69 C ATOM 570 O GLY A 27 3.109 -16.236 -9.248 1.00 0.80 O ATOM 0 H GLY A 27 4.474 -13.187 -8.275 1.00 0.54 H new ATOM 0 HA2 GLY A 27 5.392 -15.210 -8.709 1.00 0.60 H new ATOM 0 HA3 GLY A 27 5.320 -15.633 -7.010 1.00 0.60 H new ATOM 574 N ASP A 28 2.940 -16.579 -7.029 1.00 0.75 N ATOM 575 CA ASP A 28 1.745 -17.410 -7.120 1.00 0.93 C ATOM 576 C ASP A 28 0.662 -16.872 -6.193 1.00 0.85 C ATOM 577 O ASP A 28 -0.348 -17.531 -5.936 1.00 1.07 O ATOM 578 CB ASP A 28 2.065 -18.870 -6.780 1.00 1.21 C ATOM 579 CG ASP A 28 2.595 -19.042 -5.374 1.00 1.64 C ATOM 580 OD1 ASP A 28 3.825 -18.955 -5.177 1.00 2.21 O ATOM 581 OD2 ASP A 28 1.784 -19.267 -4.451 1.00 2.13 O ATOM 0 H ASP A 28 3.273 -16.430 -6.076 1.00 0.75 H new ATOM 0 HA ASP A 28 1.380 -17.376 -8.147 1.00 0.93 H new ATOM 0 HB2 ASP A 28 1.164 -19.472 -6.900 1.00 1.21 H new ATOM 0 HB3 ASP A 28 2.800 -19.251 -7.489 1.00 1.21 H new ATOM 586 N GLN A 29 0.877 -15.659 -5.718 1.00 0.61 N ATOM 587 CA GLN A 29 -0.094 -14.962 -4.889 1.00 0.54 C ATOM 588 C GLN A 29 -0.581 -13.745 -5.648 1.00 0.41 C ATOM 589 O GLN A 29 0.149 -13.193 -6.474 1.00 0.38 O ATOM 590 CB GLN A 29 0.542 -14.559 -3.552 1.00 0.60 C ATOM 591 CG GLN A 29 -0.373 -13.761 -2.626 1.00 0.62 C ATOM 592 CD GLN A 29 0.162 -13.666 -1.215 1.00 0.73 C ATOM 593 OE1 GLN A 29 0.878 -12.593 -0.940 1.00 1.01 O flip ATOM 594 NE2 GLN A 29 -0.092 -14.529 -0.376 1.00 0.74 N flip ATOM 0 H GLN A 29 1.729 -15.128 -5.895 1.00 0.61 H new ATOM 0 HA GLN A 29 -0.939 -15.614 -4.667 1.00 0.54 H new ATOM 0 HB2 GLN A 29 0.865 -15.461 -3.032 1.00 0.60 H new ATOM 0 HB3 GLN A 29 1.436 -13.969 -3.754 1.00 0.60 H new ATOM 0 HG2 GLN A 29 -0.504 -12.757 -3.029 1.00 0.62 H new ATOM 0 HG3 GLN A 29 -1.358 -14.227 -2.606 1.00 0.62 H new ATOM 0 HE21 GLN A 29 -0.650 -15.343 -0.634 1.00 0.74 H new ATOM 0 HE22 GLN A 29 0.255 -14.431 0.578 1.00 0.74 H new ATOM 603 N VAL A 30 -1.816 -13.347 -5.419 1.00 0.37 N ATOM 604 CA VAL A 30 -2.362 -12.224 -6.149 1.00 0.31 C ATOM 605 C VAL A 30 -2.614 -11.052 -5.212 1.00 0.24 C ATOM 606 O VAL A 30 -3.266 -11.176 -4.170 1.00 0.28 O ATOM 607 CB VAL A 30 -3.659 -12.589 -6.898 1.00 0.42 C ATOM 608 CG1 VAL A 30 -3.868 -11.667 -8.086 1.00 1.08 C ATOM 609 CG2 VAL A 30 -3.647 -14.041 -7.348 1.00 0.98 C ATOM 0 H VAL A 30 -2.450 -13.776 -4.745 1.00 0.37 H new ATOM 0 HA VAL A 30 -1.621 -11.938 -6.896 1.00 0.31 H new ATOM 0 HB VAL A 30 -4.491 -12.459 -6.205 1.00 0.42 H new ATOM 0 HG11 VAL A 30 -4.789 -11.941 -8.602 1.00 1.08 H new ATOM 0 HG12 VAL A 30 -3.939 -10.636 -7.739 1.00 1.08 H new ATOM 0 HG13 VAL A 30 -3.026 -11.761 -8.772 1.00 1.08 H new ATOM 0 HG21 VAL A 30 -4.575 -14.267 -7.873 1.00 0.98 H new ATOM 0 HG22 VAL A 30 -2.802 -14.208 -8.016 1.00 0.98 H new ATOM 0 HG23 VAL A 30 -3.555 -14.691 -6.478 1.00 0.98 H new ATOM 619 N LYS A 31 -2.052 -9.920 -5.560 1.00 0.20 N ATOM 620 CA LYS A 31 -2.091 -8.768 -4.694 1.00 0.21 C ATOM 621 C LYS A 31 -2.430 -7.494 -5.465 1.00 0.22 C ATOM 622 O LYS A 31 -2.169 -7.389 -6.663 1.00 0.25 O ATOM 623 CB LYS A 31 -0.746 -8.649 -3.994 1.00 0.31 C ATOM 624 CG LYS A 31 0.355 -8.174 -4.926 1.00 0.38 C ATOM 625 CD LYS A 31 1.731 -8.491 -4.396 1.00 0.55 C ATOM 626 CE LYS A 31 1.999 -7.795 -3.082 1.00 0.64 C ATOM 627 NZ LYS A 31 3.425 -7.943 -2.697 1.00 0.91 N ATOM 0 H LYS A 31 -1.560 -9.772 -6.441 1.00 0.20 H new ATOM 0 HA LYS A 31 -2.881 -8.898 -3.954 1.00 0.21 H new ATOM 0 HB2 LYS A 31 -0.835 -7.955 -3.159 1.00 0.31 H new ATOM 0 HB3 LYS A 31 -0.471 -9.617 -3.576 1.00 0.31 H new ATOM 0 HG2 LYS A 31 0.228 -8.641 -5.903 1.00 0.38 H new ATOM 0 HG3 LYS A 31 0.264 -7.098 -5.073 1.00 0.38 H new ATOM 0 HD2 LYS A 31 1.831 -9.568 -4.264 1.00 0.55 H new ATOM 0 HD3 LYS A 31 2.481 -8.189 -5.127 1.00 0.55 H new ATOM 0 HE2 LYS A 31 1.747 -6.738 -3.165 1.00 0.64 H new ATOM 0 HE3 LYS A 31 1.361 -8.215 -2.304 1.00 0.64 H new ATOM 0 HZ1 LYS A 31 3.672 -7.218 -1.993 1.00 0.91 H new ATOM 0 HZ2 LYS A 31 3.578 -8.888 -2.290 1.00 0.91 H new ATOM 0 HZ3 LYS A 31 4.026 -7.827 -3.538 1.00 0.91 H new ATOM 641 N LEU A 32 -3.051 -6.555 -4.773 1.00 0.27 N ATOM 642 CA LEU A 32 -3.318 -5.231 -5.326 1.00 0.30 C ATOM 643 C LEU A 32 -2.294 -4.264 -4.775 1.00 0.29 C ATOM 644 O LEU A 32 -1.548 -4.616 -3.874 1.00 0.33 O ATOM 645 CB LEU A 32 -4.706 -4.725 -4.957 1.00 0.43 C ATOM 646 CG LEU A 32 -4.856 -4.242 -3.519 1.00 0.53 C ATOM 647 CD1 LEU A 32 -5.404 -2.824 -3.498 1.00 0.57 C ATOM 648 CD2 LEU A 32 -5.770 -5.166 -2.739 1.00 0.75 C ATOM 0 H LEU A 32 -3.384 -6.683 -3.818 1.00 0.27 H new ATOM 0 HA LEU A 32 -3.261 -5.302 -6.412 1.00 0.30 H new ATOM 0 HB2 LEU A 32 -4.968 -3.907 -5.628 1.00 0.43 H new ATOM 0 HB3 LEU A 32 -5.426 -5.524 -5.133 1.00 0.43 H new ATOM 0 HG LEU A 32 -3.873 -4.249 -3.048 1.00 0.53 H new ATOM 0 HD11 LEU A 32 -5.507 -2.489 -2.466 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -4.720 -2.162 -4.028 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -6.379 -2.803 -3.985 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -5.865 -4.805 -1.715 1.00 0.75 H new ATOM 0 HD22 LEU A 32 -6.753 -5.187 -3.209 1.00 0.75 H new ATOM 0 HD23 LEU A 32 -5.350 -6.172 -2.732 1.00 0.75 H new ATOM 660 N GLY A 33 -2.209 -3.081 -5.336 1.00 0.29 N ATOM 661 CA GLY A 33 -1.369 -2.074 -4.736 1.00 0.29 C ATOM 662 C GLY A 33 -1.918 -0.677 -4.930 1.00 0.30 C ATOM 663 O GLY A 33 -2.641 -0.425 -5.895 1.00 0.41 O ATOM 0 H GLY A 33 -2.698 -2.797 -6.185 1.00 0.29 H new ATOM 0 HA2 GLY A 33 -1.267 -2.277 -3.670 1.00 0.29 H new ATOM 0 HA3 GLY A 33 -0.370 -2.133 -5.168 1.00 0.29 H new ATOM 667 N ILE A 34 -1.601 0.226 -4.007 1.00 0.26 N ATOM 668 CA ILE A 34 -1.997 1.619 -4.145 1.00 0.30 C ATOM 669 C ILE A 34 -0.756 2.497 -4.294 1.00 0.29 C ATOM 670 O ILE A 34 0.177 2.422 -3.484 1.00 0.27 O ATOM 671 CB ILE A 34 -2.871 2.118 -2.964 1.00 0.34 C ATOM 672 CG1 ILE A 34 -2.049 2.336 -1.692 1.00 0.35 C ATOM 673 CG2 ILE A 34 -3.991 1.125 -2.708 1.00 0.36 C ATOM 674 CD1 ILE A 34 -2.512 3.525 -0.878 1.00 1.16 C ATOM 0 H ILE A 34 -1.073 0.017 -3.160 1.00 0.26 H new ATOM 0 HA ILE A 34 -2.613 1.691 -5.041 1.00 0.30 H new ATOM 0 HB ILE A 34 -3.292 3.084 -3.241 1.00 0.34 H new ATOM 0 HG12 ILE A 34 -2.102 1.439 -1.075 1.00 0.35 H new ATOM 0 HG13 ILE A 34 -1.002 2.475 -1.963 1.00 0.35 H new ATOM 0 HG21 ILE A 34 -4.605 1.475 -1.878 1.00 0.36 H new ATOM 0 HG22 ILE A 34 -4.607 1.033 -3.602 1.00 0.36 H new ATOM 0 HG23 ILE A 34 -3.565 0.153 -2.459 1.00 0.36 H new ATOM 0 HD11 ILE A 34 -1.888 3.623 0.010 1.00 1.16 H new ATOM 0 HD12 ILE A 34 -2.433 4.431 -1.479 1.00 1.16 H new ATOM 0 HD13 ILE A 34 -3.549 3.378 -0.578 1.00 1.16 H new ATOM 686 N ASP A 35 -0.714 3.292 -5.353 1.00 0.36 N ATOM 687 CA ASP A 35 0.410 4.190 -5.566 1.00 0.37 C ATOM 688 C ASP A 35 -0.047 5.641 -5.515 1.00 0.38 C ATOM 689 O ASP A 35 -0.928 6.070 -6.261 1.00 0.51 O ATOM 690 CB ASP A 35 1.123 3.885 -6.896 1.00 0.53 C ATOM 691 CG ASP A 35 0.255 4.106 -8.119 1.00 1.15 C ATOM 692 OD1 ASP A 35 -0.759 3.398 -8.275 1.00 1.94 O ATOM 693 OD2 ASP A 35 0.602 4.975 -8.952 1.00 1.40 O ATOM 0 H ASP A 35 -1.437 3.334 -6.071 1.00 0.36 H new ATOM 0 HA ASP A 35 1.127 4.028 -4.762 1.00 0.37 H new ATOM 0 HB2 ASP A 35 2.011 4.512 -6.974 1.00 0.53 H new ATOM 0 HB3 ASP A 35 1.464 2.850 -6.886 1.00 0.53 H new ATOM 698 N ALA A 36 0.554 6.385 -4.604 1.00 0.34 N ATOM 699 CA ALA A 36 0.228 7.785 -4.400 1.00 0.42 C ATOM 700 C ALA A 36 1.500 8.573 -4.122 1.00 0.46 C ATOM 701 O ALA A 36 2.472 8.008 -3.610 1.00 0.49 O ATOM 702 CB ALA A 36 -0.767 7.932 -3.256 1.00 0.48 C ATOM 0 H ALA A 36 1.284 6.035 -3.983 1.00 0.34 H new ATOM 0 HA ALA A 36 -0.235 8.183 -5.303 1.00 0.42 H new ATOM 0 HB1 ALA A 36 -1.004 8.986 -3.113 1.00 0.48 H new ATOM 0 HB2 ALA A 36 -1.679 7.385 -3.494 1.00 0.48 H new ATOM 0 HB3 ALA A 36 -0.331 7.530 -2.341 1.00 0.48 H new ATOM 708 N PRO A 37 1.519 9.886 -4.411 1.00 0.54 N ATOM 709 CA PRO A 37 2.709 10.715 -4.217 1.00 0.63 C ATOM 710 C PRO A 37 2.890 11.090 -2.747 1.00 0.61 C ATOM 711 O PRO A 37 3.091 12.257 -2.409 1.00 0.65 O ATOM 712 CB PRO A 37 2.417 11.945 -5.073 1.00 0.71 C ATOM 713 CG PRO A 37 0.933 12.072 -5.068 1.00 0.77 C ATOM 714 CD PRO A 37 0.377 10.678 -4.908 1.00 0.62 C ATOM 0 HA PRO A 37 3.633 10.210 -4.497 1.00 0.63 H new ATOM 0 HB2 PRO A 37 2.891 12.835 -4.660 1.00 0.71 H new ATOM 0 HB3 PRO A 37 2.800 11.821 -6.086 1.00 0.71 H new ATOM 0 HG2 PRO A 37 0.603 12.716 -4.253 1.00 0.77 H new ATOM 0 HG3 PRO A 37 0.581 12.525 -5.995 1.00 0.77 H new ATOM 0 HD2 PRO A 37 -0.456 10.660 -4.205 1.00 0.62 H new ATOM 0 HD3 PRO A 37 0.004 10.287 -5.855 1.00 0.62 H new ATOM 722 N LYS A 38 2.822 10.065 -1.893 1.00 0.59 N ATOM 723 CA LYS A 38 2.929 10.199 -0.439 1.00 0.63 C ATOM 724 C LYS A 38 1.753 10.971 0.120 1.00 0.68 C ATOM 725 O LYS A 38 0.881 10.376 0.751 1.00 1.12 O ATOM 726 CB LYS A 38 4.260 10.832 -0.025 1.00 0.73 C ATOM 727 CG LYS A 38 4.711 10.457 1.380 1.00 1.19 C ATOM 728 CD LYS A 38 4.886 8.947 1.530 1.00 0.90 C ATOM 729 CE LYS A 38 6.032 8.613 2.478 1.00 0.92 C ATOM 730 NZ LYS A 38 6.371 7.162 2.485 1.00 1.86 N ATOM 0 H LYS A 38 2.689 9.101 -2.199 1.00 0.59 H new ATOM 0 HA LYS A 38 2.906 9.196 -0.013 1.00 0.63 H new ATOM 0 HB2 LYS A 38 5.030 10.532 -0.735 1.00 0.73 H new ATOM 0 HB3 LYS A 38 4.171 11.916 -0.090 1.00 0.73 H new ATOM 0 HG2 LYS A 38 5.653 10.957 1.606 1.00 1.19 H new ATOM 0 HG3 LYS A 38 3.979 10.813 2.105 1.00 1.19 H new ATOM 0 HD2 LYS A 38 3.962 8.507 1.905 1.00 0.90 H new ATOM 0 HD3 LYS A 38 5.078 8.502 0.553 1.00 0.90 H new ATOM 0 HE2 LYS A 38 6.914 9.186 2.191 1.00 0.92 H new ATOM 0 HE3 LYS A 38 5.765 8.924 3.488 1.00 0.92 H new ATOM 0 HZ1 LYS A 38 7.007 6.958 3.282 1.00 1.86 H new ATOM 0 HZ2 LYS A 38 5.500 6.602 2.584 1.00 1.86 H new ATOM 0 HZ3 LYS A 38 6.843 6.912 1.593 1.00 1.86 H new ATOM 744 N HIS A 39 1.724 12.264 -0.172 1.00 0.67 N ATOM 745 CA HIS A 39 0.694 13.194 0.289 1.00 0.67 C ATOM 746 C HIS A 39 0.208 12.882 1.715 1.00 0.62 C ATOM 747 O HIS A 39 0.973 12.403 2.555 1.00 0.70 O ATOM 748 CB HIS A 39 -0.480 13.297 -0.727 1.00 0.69 C ATOM 749 CG HIS A 39 -1.461 12.155 -0.732 1.00 0.60 C ATOM 750 ND1 HIS A 39 -1.091 10.851 -0.929 1.00 0.57 N ATOM 751 CD2 HIS A 39 -2.802 12.133 -0.521 1.00 0.59 C ATOM 752 CE1 HIS A 39 -2.145 10.075 -0.835 1.00 0.55 C ATOM 753 NE2 HIS A 39 -3.197 10.825 -0.593 1.00 0.54 N ATOM 0 H HIS A 39 2.434 12.710 -0.752 1.00 0.67 H new ATOM 0 HA HIS A 39 1.160 14.178 0.342 1.00 0.67 H new ATOM 0 HB2 HIS A 39 -1.028 14.217 -0.525 1.00 0.69 H new ATOM 0 HB3 HIS A 39 -0.059 13.390 -1.728 1.00 0.69 H new ATOM 0 HD2 HIS A 39 -3.437 12.986 -0.332 1.00 0.59 H new ATOM 0 HE1 HIS A 39 -2.148 9.000 -0.939 1.00 0.55 H new ATOM 0 HE2 HIS A 39 -4.152 10.487 -0.478 1.00 0.54 H new ATOM 762 N ILE A 40 -1.047 13.193 1.993 1.00 0.63 N ATOM 763 CA ILE A 40 -1.638 12.929 3.294 1.00 0.64 C ATOM 764 C ILE A 40 -2.667 11.813 3.202 1.00 0.44 C ATOM 765 O ILE A 40 -3.481 11.783 2.285 1.00 0.44 O ATOM 766 CB ILE A 40 -2.319 14.188 3.876 1.00 0.85 C ATOM 767 CG1 ILE A 40 -3.347 14.760 2.879 1.00 0.90 C ATOM 768 CG2 ILE A 40 -1.274 15.230 4.254 1.00 1.06 C ATOM 769 CD1 ILE A 40 -2.777 15.724 1.853 1.00 1.02 C ATOM 0 H ILE A 40 -1.682 13.633 1.327 1.00 0.63 H new ATOM 0 HA ILE A 40 -0.826 12.629 3.956 1.00 0.64 H new ATOM 0 HB ILE A 40 -2.857 13.907 4.782 1.00 0.85 H new ATOM 0 HG12 ILE A 40 -3.821 13.931 2.353 1.00 0.90 H new ATOM 0 HG13 ILE A 40 -4.130 15.271 3.440 1.00 0.90 H new ATOM 0 HG21 ILE A 40 -1.770 16.111 4.662 1.00 1.06 H new ATOM 0 HG22 ILE A 40 -0.599 14.814 5.002 1.00 1.06 H new ATOM 0 HG23 ILE A 40 -0.704 15.512 3.368 1.00 1.06 H new ATOM 0 HD11 ILE A 40 -3.575 16.072 1.198 1.00 1.02 H new ATOM 0 HD12 ILE A 40 -2.330 16.577 2.364 1.00 1.02 H new ATOM 0 HD13 ILE A 40 -2.016 15.216 1.260 1.00 1.02 H new ATOM 781 N ASP A 41 -2.625 10.891 4.143 1.00 0.43 N ATOM 782 CA ASP A 41 -3.587 9.806 4.169 1.00 0.34 C ATOM 783 C ASP A 41 -4.761 10.162 5.074 1.00 0.31 C ATOM 784 O ASP A 41 -4.637 10.235 6.299 1.00 0.38 O ATOM 785 CB ASP A 41 -2.926 8.487 4.594 1.00 0.54 C ATOM 786 CG ASP A 41 -2.230 8.558 5.934 1.00 0.90 C ATOM 787 OD1 ASP A 41 -1.350 9.420 6.089 1.00 1.36 O ATOM 788 OD2 ASP A 41 -2.575 7.773 6.840 1.00 1.05 O ATOM 0 H ASP A 41 -1.938 10.870 4.897 1.00 0.43 H new ATOM 0 HA ASP A 41 -3.971 9.661 3.159 1.00 0.34 H new ATOM 0 HB2 ASP A 41 -3.685 7.706 4.630 1.00 0.54 H new ATOM 0 HB3 ASP A 41 -2.202 8.193 3.834 1.00 0.54 H new ATOM 793 N ILE A 42 -5.899 10.398 4.445 1.00 0.28 N ATOM 794 CA ILE A 42 -7.092 10.859 5.135 1.00 0.30 C ATOM 795 C ILE A 42 -7.859 9.685 5.726 1.00 0.29 C ATOM 796 O ILE A 42 -7.905 8.612 5.132 1.00 0.31 O ATOM 797 CB ILE A 42 -8.013 11.619 4.156 1.00 0.38 C ATOM 798 CG1 ILE A 42 -7.197 12.637 3.351 1.00 0.41 C ATOM 799 CG2 ILE A 42 -9.152 12.308 4.901 1.00 0.47 C ATOM 800 CD1 ILE A 42 -6.623 13.763 4.186 1.00 1.28 C ATOM 0 H ILE A 42 -6.023 10.275 3.440 1.00 0.28 H new ATOM 0 HA ILE A 42 -6.780 11.525 5.939 1.00 0.30 H new ATOM 0 HB ILE A 42 -8.454 10.899 3.466 1.00 0.38 H new ATOM 0 HG12 ILE A 42 -6.381 12.118 2.849 1.00 0.41 H new ATOM 0 HG13 ILE A 42 -7.831 13.062 2.573 1.00 0.41 H new ATOM 0 HG21 ILE A 42 -9.786 12.836 4.189 1.00 0.47 H new ATOM 0 HG22 ILE A 42 -9.745 11.562 5.430 1.00 0.47 H new ATOM 0 HG23 ILE A 42 -8.741 13.019 5.617 1.00 0.47 H new ATOM 0 HD11 ILE A 42 -6.060 14.441 3.545 1.00 1.28 H new ATOM 0 HD12 ILE A 42 -7.434 14.309 4.667 1.00 1.28 H new ATOM 0 HD13 ILE A 42 -5.961 13.350 4.948 1.00 1.28 H new ATOM 812 N HIS A 43 -8.432 9.873 6.910 1.00 0.31 N ATOM 813 CA HIS A 43 -9.284 8.856 7.523 1.00 0.33 C ATOM 814 C HIS A 43 -10.477 9.523 8.184 1.00 0.45 C ATOM 815 O HIS A 43 -10.483 10.737 8.383 1.00 0.52 O ATOM 816 CB HIS A 43 -8.541 8.022 8.575 1.00 0.30 C ATOM 817 CG HIS A 43 -7.105 7.766 8.264 1.00 0.27 C ATOM 818 ND1 HIS A 43 -6.085 8.209 9.069 1.00 0.37 N ATOM 819 CD2 HIS A 43 -6.517 7.115 7.235 1.00 0.23 C ATOM 820 CE1 HIS A 43 -4.934 7.843 8.556 1.00 0.38 C ATOM 821 NE2 HIS A 43 -5.160 7.173 7.440 1.00 0.28 N ATOM 0 H HIS A 43 -8.323 10.721 7.466 1.00 0.31 H new ATOM 0 HA HIS A 43 -9.604 8.184 6.726 1.00 0.33 H new ATOM 0 HB2 HIS A 43 -8.606 8.532 9.536 1.00 0.30 H new ATOM 0 HB3 HIS A 43 -9.051 7.065 8.687 1.00 0.30 H new ATOM 0 HD2 HIS A 43 -7.020 6.638 6.407 1.00 0.23 H new ATOM 0 HE1 HIS A 43 -3.962 8.055 8.977 1.00 0.38 H new ATOM 0 HE2 HIS A 43 -4.447 6.767 6.833 1.00 0.28 H new ATOM 830 N ARG A 44 -11.474 8.726 8.533 1.00 0.52 N ATOM 831 CA ARG A 44 -12.669 9.243 9.188 1.00 0.70 C ATOM 832 C ARG A 44 -12.609 8.934 10.684 1.00 0.87 C ATOM 833 O ARG A 44 -12.310 9.803 11.502 1.00 1.74 O ATOM 834 CB ARG A 44 -13.920 8.619 8.565 1.00 0.99 C ATOM 835 CG ARG A 44 -15.223 9.183 9.104 1.00 1.38 C ATOM 836 CD ARG A 44 -16.417 8.377 8.619 1.00 1.75 C ATOM 837 NE ARG A 44 -16.534 8.375 7.159 1.00 2.71 N ATOM 838 CZ ARG A 44 -16.725 7.275 6.428 1.00 3.43 C ATOM 839 NH1 ARG A 44 -16.742 6.081 7.012 1.00 3.41 N ATOM 840 NH2 ARG A 44 -16.889 7.363 5.115 1.00 4.52 N ATOM 0 H ARG A 44 -11.481 7.718 8.375 1.00 0.52 H new ATOM 0 HA ARG A 44 -12.716 10.323 9.051 1.00 0.70 H new ATOM 0 HB2 ARG A 44 -13.890 8.769 7.486 1.00 0.99 H new ATOM 0 HB3 ARG A 44 -13.902 7.543 8.738 1.00 0.99 H new ATOM 0 HG2 ARG A 44 -15.199 9.181 10.194 1.00 1.38 H new ATOM 0 HG3 ARG A 44 -15.330 10.221 8.789 1.00 1.38 H new ATOM 0 HD2 ARG A 44 -16.328 7.351 8.975 1.00 1.75 H new ATOM 0 HD3 ARG A 44 -17.329 8.787 9.053 1.00 1.75 H new ATOM 0 HE ARG A 44 -16.465 9.268 6.672 1.00 2.71 H new ATOM 0 HH11 ARG A 44 -16.609 6.005 8.020 1.00 3.41 H new ATOM 0 HH12 ARG A 44 -16.888 5.241 6.452 1.00 3.41 H new ATOM 0 HH21 ARG A 44 -16.870 8.275 4.659 1.00 4.52 H new ATOM 0 HH22 ARG A 44 -17.035 6.519 4.562 1.00 4.52 H new ATOM 854 N LYS A 45 -12.903 7.692 11.021 1.00 0.90 N ATOM 855 CA LYS A 45 -12.695 7.168 12.360 1.00 0.97 C ATOM 856 C LYS A 45 -12.144 5.767 12.229 1.00 1.10 C ATOM 857 O LYS A 45 -12.773 4.931 11.572 1.00 2.07 O ATOM 858 CB LYS A 45 -14.000 7.131 13.164 1.00 1.13 C ATOM 859 CG LYS A 45 -13.894 6.283 14.423 1.00 1.58 C ATOM 860 CD LYS A 45 -15.228 6.149 15.137 1.00 2.14 C ATOM 861 CE LYS A 45 -15.202 5.004 16.141 1.00 2.99 C ATOM 862 NZ LYS A 45 -14.127 5.160 17.158 1.00 3.41 N ATOM 0 H LYS A 45 -13.296 7.013 10.369 1.00 0.90 H new ATOM 0 HA LYS A 45 -12.001 7.818 12.893 1.00 0.97 H new ATOM 0 HB2 LYS A 45 -14.281 8.148 13.439 1.00 1.13 H new ATOM 0 HB3 LYS A 45 -14.798 6.739 12.534 1.00 1.13 H new ATOM 0 HG2 LYS A 45 -13.522 5.292 14.162 1.00 1.58 H new ATOM 0 HG3 LYS A 45 -13.165 6.729 15.099 1.00 1.58 H new ATOM 0 HD2 LYS A 45 -15.464 7.081 15.650 1.00 2.14 H new ATOM 0 HD3 LYS A 45 -16.019 5.978 14.407 1.00 2.14 H new ATOM 0 HE2 LYS A 45 -16.167 4.945 16.644 1.00 2.99 H new ATOM 0 HE3 LYS A 45 -15.061 4.063 15.610 1.00 2.99 H new ATOM 0 HZ1 LYS A 45 -14.216 4.412 17.875 1.00 3.41 H new ATOM 0 HZ2 LYS A 45 -13.198 5.088 16.695 1.00 3.41 H new ATOM 0 HZ3 LYS A 45 -14.214 6.090 17.616 1.00 3.41 H new ATOM 876 N GLU A 46 -10.978 5.517 12.825 1.00 0.79 N ATOM 877 CA GLU A 46 -10.295 4.234 12.668 1.00 0.83 C ATOM 878 C GLU A 46 -9.886 4.078 11.203 1.00 0.92 C ATOM 879 O GLU A 46 -10.734 3.913 10.325 1.00 1.78 O ATOM 880 CB GLU A 46 -11.213 3.095 13.130 1.00 0.95 C ATOM 881 CG GLU A 46 -10.565 1.728 13.162 1.00 1.87 C ATOM 882 CD GLU A 46 -11.491 0.683 13.739 1.00 2.53 C ATOM 883 OE1 GLU A 46 -11.510 0.519 14.979 1.00 3.10 O ATOM 884 OE2 GLU A 46 -12.217 0.034 12.962 1.00 2.94 O ATOM 0 H GLU A 46 -10.488 6.185 13.420 1.00 0.79 H new ATOM 0 HA GLU A 46 -9.398 4.197 13.286 1.00 0.83 H new ATOM 0 HB2 GLU A 46 -11.584 3.329 14.128 1.00 0.95 H new ATOM 0 HB3 GLU A 46 -12.079 3.055 12.469 1.00 0.95 H new ATOM 0 HG2 GLU A 46 -10.275 1.439 12.152 1.00 1.87 H new ATOM 0 HG3 GLU A 46 -9.652 1.772 13.755 1.00 1.87 H new ATOM 891 N ILE A 47 -8.581 4.144 10.948 1.00 0.52 N ATOM 892 CA ILE A 47 -8.064 4.336 9.593 1.00 0.42 C ATOM 893 C ILE A 47 -8.710 3.402 8.573 1.00 0.37 C ATOM 894 O ILE A 47 -8.797 2.189 8.770 1.00 0.40 O ATOM 895 CB ILE A 47 -6.529 4.189 9.516 1.00 0.46 C ATOM 896 CG1 ILE A 47 -6.090 2.746 9.784 1.00 0.53 C ATOM 897 CG2 ILE A 47 -5.859 5.140 10.499 1.00 0.52 C ATOM 898 CD1 ILE A 47 -4.625 2.495 9.500 1.00 0.61 C ATOM 0 H ILE A 47 -7.859 4.067 11.664 1.00 0.52 H new ATOM 0 HA ILE A 47 -8.330 5.362 9.338 1.00 0.42 H new ATOM 0 HB ILE A 47 -6.218 4.448 8.504 1.00 0.46 H new ATOM 0 HG12 ILE A 47 -6.297 2.500 10.826 1.00 0.53 H new ATOM 0 HG13 ILE A 47 -6.690 2.073 9.172 1.00 0.53 H new ATOM 0 HG21 ILE A 47 -4.777 5.027 10.435 1.00 0.52 H new ATOM 0 HG22 ILE A 47 -6.131 6.167 10.255 1.00 0.52 H new ATOM 0 HG23 ILE A 47 -6.189 4.908 11.512 1.00 0.52 H new ATOM 0 HD11 ILE A 47 -4.387 1.453 9.712 1.00 0.61 H new ATOM 0 HD12 ILE A 47 -4.416 2.709 8.452 1.00 0.61 H new ATOM 0 HD13 ILE A 47 -4.016 3.142 10.131 1.00 0.61 H new ATOM 910 N TYR A 48 -9.185 3.996 7.492 1.00 0.32 N ATOM 911 CA TYR A 48 -9.846 3.251 6.438 1.00 0.30 C ATOM 912 C TYR A 48 -8.853 2.795 5.369 1.00 0.29 C ATOM 913 O TYR A 48 -9.187 2.018 4.483 1.00 0.30 O ATOM 914 CB TYR A 48 -10.999 4.084 5.849 1.00 0.29 C ATOM 915 CG TYR A 48 -10.635 5.332 5.055 1.00 0.27 C ATOM 916 CD1 TYR A 48 -9.631 5.278 4.096 1.00 0.24 C ATOM 917 CD2 TYR A 48 -11.242 6.557 5.290 1.00 0.32 C ATOM 918 CE1 TYR A 48 -9.244 6.406 3.403 1.00 0.23 C ATOM 919 CE2 TYR A 48 -10.868 7.684 4.592 1.00 0.33 C ATOM 920 CZ TYR A 48 -10.074 7.606 3.561 1.00 0.29 C ATOM 921 OH TYR A 48 -9.477 8.733 2.976 1.00 0.31 O ATOM 0 H TYR A 48 -9.124 5.000 7.322 1.00 0.32 H new ATOM 0 HA TYR A 48 -10.274 2.343 6.864 1.00 0.30 H new ATOM 0 HB2 TYR A 48 -11.586 3.433 5.201 1.00 0.29 H new ATOM 0 HB3 TYR A 48 -11.649 4.386 6.670 1.00 0.29 H new ATOM 0 HD1 TYR A 48 -9.145 4.336 3.890 1.00 0.24 H new ATOM 0 HD2 TYR A 48 -12.022 6.628 6.034 1.00 0.32 H new ATOM 0 HE1 TYR A 48 -8.368 6.406 2.771 1.00 0.23 H new ATOM 0 HE2 TYR A 48 -11.239 8.649 4.904 1.00 0.33 H new ATOM 0 HH TYR A 48 -8.590 8.874 3.368 1.00 0.31 H new ATOM 931 N LEU A 49 -7.624 3.273 5.480 1.00 0.29 N ATOM 932 CA LEU A 49 -6.623 3.077 4.446 1.00 0.29 C ATOM 933 C LEU A 49 -5.676 1.977 4.841 1.00 0.30 C ATOM 934 O LEU A 49 -5.740 0.879 4.295 1.00 0.36 O ATOM 935 CB LEU A 49 -5.853 4.380 4.210 1.00 0.36 C ATOM 936 CG LEU A 49 -6.228 5.129 2.935 1.00 0.40 C ATOM 937 CD1 LEU A 49 -5.659 6.537 2.960 1.00 0.60 C ATOM 938 CD2 LEU A 49 -5.716 4.375 1.722 1.00 0.67 C ATOM 0 H LEU A 49 -7.294 3.805 6.285 1.00 0.29 H new ATOM 0 HA LEU A 49 -7.123 2.790 3.521 1.00 0.29 H new ATOM 0 HB2 LEU A 49 -6.016 5.040 5.062 1.00 0.36 H new ATOM 0 HB3 LEU A 49 -4.787 4.154 4.181 1.00 0.36 H new ATOM 0 HG LEU A 49 -7.314 5.198 2.875 1.00 0.40 H new ATOM 0 HD11 LEU A 49 -5.936 7.058 2.043 1.00 0.60 H new ATOM 0 HD12 LEU A 49 -6.060 7.076 3.818 1.00 0.60 H new ATOM 0 HD13 LEU A 49 -4.573 6.489 3.036 1.00 0.60 H new ATOM 0 HD21 LEU A 49 -5.988 4.916 0.816 1.00 0.67 H new ATOM 0 HD22 LEU A 49 -4.631 4.286 1.780 1.00 0.67 H new ATOM 0 HD23 LEU A 49 -6.161 3.380 1.698 1.00 0.67 H new ATOM 950 N THR A 50 -4.789 2.286 5.781 1.00 0.31 N ATOM 951 CA THR A 50 -3.822 1.322 6.284 1.00 0.36 C ATOM 952 C THR A 50 -2.698 1.095 5.271 1.00 0.41 C ATOM 953 O THR A 50 -1.543 0.948 5.642 1.00 0.75 O ATOM 954 CB THR A 50 -4.521 -0.007 6.642 1.00 0.41 C ATOM 955 OG1 THR A 50 -5.492 0.206 7.674 1.00 0.94 O ATOM 956 CG2 THR A 50 -3.524 -1.071 7.085 1.00 0.93 C ATOM 0 H THR A 50 -4.722 3.208 6.213 1.00 0.31 H new ATOM 0 HA THR A 50 -3.374 1.728 7.191 1.00 0.36 H new ATOM 0 HB THR A 50 -5.018 -0.367 5.741 1.00 0.41 H new ATOM 0 HG1 THR A 50 -5.930 -0.643 7.891 1.00 0.94 H new ATOM 0 HG21 THR A 50 -4.057 -1.990 7.328 1.00 0.93 H new ATOM 0 HG22 THR A 50 -2.816 -1.264 6.279 1.00 0.93 H new ATOM 0 HG23 THR A 50 -2.985 -0.721 7.965 1.00 0.93 H new ATOM 964 N ILE A 51 -3.044 1.136 3.995 1.00 0.34 N ATOM 965 CA ILE A 51 -2.094 0.881 2.918 1.00 0.38 C ATOM 966 C ILE A 51 -0.959 1.891 2.953 1.00 0.35 C ATOM 967 O ILE A 51 0.179 1.564 3.281 1.00 0.36 O ATOM 968 CB ILE A 51 -2.759 0.941 1.523 1.00 0.46 C ATOM 969 CG1 ILE A 51 -4.212 0.474 1.591 1.00 0.44 C ATOM 970 CG2 ILE A 51 -1.976 0.071 0.572 1.00 0.61 C ATOM 971 CD1 ILE A 51 -5.042 0.847 0.384 1.00 0.83 C ATOM 0 H ILE A 51 -3.989 1.346 3.674 1.00 0.34 H new ATOM 0 HA ILE A 51 -1.710 -0.126 3.079 1.00 0.38 H new ATOM 0 HB ILE A 51 -2.757 1.972 1.169 1.00 0.46 H new ATOM 0 HG12 ILE A 51 -4.228 -0.610 1.708 1.00 0.44 H new ATOM 0 HG13 ILE A 51 -4.676 0.897 2.482 1.00 0.44 H new ATOM 0 HG21 ILE A 51 -2.436 0.106 -0.416 1.00 0.61 H new ATOM 0 HG22 ILE A 51 -0.950 0.434 0.507 1.00 0.61 H new ATOM 0 HG23 ILE A 51 -1.975 -0.956 0.936 1.00 0.61 H new ATOM 0 HD11 ILE A 51 -6.059 0.478 0.514 1.00 0.83 H new ATOM 0 HD12 ILE A 51 -5.061 1.932 0.276 1.00 0.83 H new ATOM 0 HD13 ILE A 51 -4.605 0.401 -0.510 1.00 0.83 H new ATOM 983 N GLN A 52 -1.275 3.135 2.638 1.00 0.36 N ATOM 984 CA GLN A 52 -0.265 4.172 2.625 1.00 0.39 C ATOM 985 C GLN A 52 -0.021 4.719 4.019 1.00 0.38 C ATOM 986 O GLN A 52 0.894 5.501 4.219 1.00 0.53 O ATOM 987 CB GLN A 52 -0.650 5.313 1.702 1.00 0.47 C ATOM 988 CG GLN A 52 -1.995 5.949 2.009 1.00 0.60 C ATOM 989 CD GLN A 52 -2.373 6.996 0.980 1.00 0.85 C ATOM 990 OE1 GLN A 52 -1.963 6.909 -0.180 1.00 0.89 O ATOM 991 NE2 GLN A 52 -3.126 8.001 1.395 1.00 1.32 N ATOM 0 H GLN A 52 -2.214 3.447 2.390 1.00 0.36 H new ATOM 0 HA GLN A 52 0.652 3.713 2.255 1.00 0.39 H new ATOM 0 HB2 GLN A 52 0.121 6.082 1.755 1.00 0.47 H new ATOM 0 HB3 GLN A 52 -0.663 4.945 0.676 1.00 0.47 H new ATOM 0 HG2 GLN A 52 -2.763 5.176 2.040 1.00 0.60 H new ATOM 0 HG3 GLN A 52 -1.963 6.407 2.998 1.00 0.60 H new ATOM 0 HE21 GLN A 52 -3.444 8.034 2.364 1.00 1.32 H new ATOM 0 HE22 GLN A 52 -3.389 8.743 0.746 1.00 1.32 H new ATOM 1000 N GLU A 53 -0.860 4.332 4.965 1.00 0.31 N ATOM 1001 CA GLU A 53 -0.640 4.681 6.361 1.00 0.32 C ATOM 1002 C GLU A 53 0.575 3.900 6.832 1.00 0.32 C ATOM 1003 O GLU A 53 1.477 4.430 7.481 1.00 0.39 O ATOM 1004 CB GLU A 53 -1.886 4.327 7.181 1.00 0.39 C ATOM 1005 CG GLU A 53 -2.105 5.166 8.437 1.00 0.66 C ATOM 1006 CD GLU A 53 -1.081 4.923 9.527 1.00 1.13 C ATOM 1007 OE1 GLU A 53 -0.896 3.754 9.924 1.00 1.89 O ATOM 1008 OE2 GLU A 53 -0.480 5.906 10.011 1.00 1.41 O ATOM 0 H GLU A 53 -1.699 3.777 4.794 1.00 0.31 H new ATOM 0 HA GLU A 53 -0.462 5.749 6.485 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -2.762 4.428 6.540 1.00 0.39 H new ATOM 0 HB3 GLU A 53 -1.823 3.278 7.472 1.00 0.39 H new ATOM 0 HG2 GLU A 53 -2.087 6.221 8.164 1.00 0.66 H new ATOM 0 HG3 GLU A 53 -3.099 4.956 8.833 1.00 0.66 H new ATOM 1015 N GLU A 54 0.596 2.637 6.438 1.00 0.33 N ATOM 1016 CA GLU A 54 1.743 1.776 6.639 1.00 0.39 C ATOM 1017 C GLU A 54 2.940 2.276 5.837 1.00 0.43 C ATOM 1018 O GLU A 54 4.058 2.348 6.347 1.00 0.54 O ATOM 1019 CB GLU A 54 1.385 0.349 6.224 1.00 0.47 C ATOM 1020 CG GLU A 54 0.748 -0.466 7.338 1.00 0.56 C ATOM 1021 CD GLU A 54 1.667 -0.641 8.527 1.00 1.15 C ATOM 1022 OE1 GLU A 54 2.434 -1.625 8.558 1.00 1.46 O ATOM 1023 OE2 GLU A 54 1.631 0.206 9.441 1.00 1.84 O ATOM 0 H GLU A 54 -0.186 2.181 5.968 1.00 0.33 H new ATOM 0 HA GLU A 54 2.015 1.789 7.694 1.00 0.39 H new ATOM 0 HB2 GLU A 54 0.701 0.387 5.376 1.00 0.47 H new ATOM 0 HB3 GLU A 54 2.287 -0.159 5.884 1.00 0.47 H new ATOM 0 HG2 GLU A 54 -0.171 0.023 7.662 1.00 0.56 H new ATOM 0 HG3 GLU A 54 0.468 -1.446 6.952 1.00 0.56 H new ATOM 1030 N ASN A 55 2.704 2.621 4.577 1.00 0.41 N ATOM 1031 CA ASN A 55 3.777 3.087 3.697 1.00 0.50 C ATOM 1032 C ASN A 55 3.901 4.609 3.755 1.00 0.57 C ATOM 1033 O ASN A 55 4.232 5.284 2.775 1.00 1.17 O ATOM 1034 CB ASN A 55 3.520 2.620 2.269 1.00 0.62 C ATOM 1035 CG ASN A 55 4.768 2.653 1.396 1.00 1.36 C ATOM 1036 OD1 ASN A 55 4.779 1.836 0.357 1.00 1.97 O flip ATOM 1037 ND2 ASN A 55 5.703 3.412 1.637 1.00 1.85 N flip ATOM 0 H ASN A 55 1.783 2.588 4.139 1.00 0.41 H new ATOM 0 HA ASN A 55 4.720 2.660 4.039 1.00 0.50 H new ATOM 0 HB2 ASN A 55 3.126 1.604 2.291 1.00 0.62 H new ATOM 0 HB3 ASN A 55 2.753 3.250 1.819 1.00 0.62 H new ATOM 0 HD21 ASN A 55 5.662 4.030 2.448 1.00 1.85 H new ATOM 0 HD22 ASN A 55 6.520 3.424 1.027 1.00 1.85 H new ATOM 1044 N ASN A 56 3.628 5.143 4.918 1.00 0.67 N ATOM 1045 CA ASN A 56 3.890 6.527 5.211 1.00 0.75 C ATOM 1046 C ASN A 56 5.150 6.561 6.070 1.00 0.99 C ATOM 1047 O ASN A 56 5.462 7.527 6.756 1.00 1.50 O ATOM 1048 CB ASN A 56 2.671 7.122 5.924 1.00 0.71 C ATOM 1049 CG ASN A 56 2.690 8.643 6.036 1.00 0.84 C ATOM 1050 OD1 ASN A 56 3.739 9.280 6.025 1.00 1.28 O ATOM 1051 ND2 ASN A 56 1.517 9.240 6.157 1.00 0.91 N ATOM 0 H ASN A 56 3.215 4.625 5.693 1.00 0.67 H new ATOM 0 HA ASN A 56 4.055 7.126 4.315 1.00 0.75 H new ATOM 0 HB2 ASN A 56 1.770 6.820 5.391 1.00 0.71 H new ATOM 0 HB3 ASN A 56 2.607 6.696 6.925 1.00 0.71 H new ATOM 0 HD21 ASN A 56 1.468 10.255 6.244 1.00 0.91 H new ATOM 0 HD22 ASN A 56 0.661 8.686 6.163 1.00 0.91 H new ATOM 1058 N ARG A 57 5.880 5.451 5.994 1.00 0.90 N ATOM 1059 CA ARG A 57 7.039 5.217 6.832 1.00 1.15 C ATOM 1060 C ARG A 57 7.854 4.033 6.304 1.00 1.21 C ATOM 1061 O ARG A 57 8.858 4.229 5.624 1.00 1.44 O ATOM 1062 CB ARG A 57 6.581 4.976 8.270 1.00 1.31 C ATOM 1063 CG ARG A 57 5.239 4.269 8.345 1.00 1.31 C ATOM 1064 CD ARG A 57 4.631 4.358 9.731 1.00 1.43 C ATOM 1065 NE ARG A 57 4.427 5.748 10.144 1.00 1.97 N ATOM 1066 CZ ARG A 57 3.232 6.301 10.334 1.00 2.54 C ATOM 1067 NH1 ARG A 57 2.133 5.588 10.142 1.00 2.69 N ATOM 1068 NH2 ARG A 57 3.140 7.571 10.712 1.00 3.47 N ATOM 0 H ARG A 57 5.679 4.690 5.345 1.00 0.90 H new ATOM 0 HA ARG A 57 7.686 6.094 6.812 1.00 1.15 H new ATOM 0 HB2 ARG A 57 7.331 4.381 8.791 1.00 1.31 H new ATOM 0 HB3 ARG A 57 6.514 5.931 8.791 1.00 1.31 H new ATOM 0 HG2 ARG A 57 4.555 4.710 7.619 1.00 1.31 H new ATOM 0 HG3 ARG A 57 5.364 3.222 8.070 1.00 1.31 H new ATOM 0 HD2 ARG A 57 3.677 3.830 9.745 1.00 1.43 H new ATOM 0 HD3 ARG A 57 5.283 3.857 10.447 1.00 1.43 H new ATOM 0 HE ARG A 57 5.252 6.328 10.295 1.00 1.97 H new ATOM 0 HH11 ARG A 57 2.202 4.614 9.848 1.00 2.69 H new ATOM 0 HH12 ARG A 57 1.217 6.013 10.288 1.00 2.69 H new ATOM 0 HH21 ARG A 57 3.986 8.123 10.857 1.00 3.47 H new ATOM 0 HH22 ARG A 57 2.224 7.995 10.858 1.00 3.47 H new ATOM 1082 N ALA A 58 7.390 2.811 6.574 1.00 1.14 N ATOM 1083 CA ALA A 58 8.106 1.606 6.155 1.00 1.28 C ATOM 1084 C ALA A 58 7.217 0.367 6.259 1.00 1.15 C ATOM 1085 O ALA A 58 7.442 -0.507 7.101 1.00 1.52 O ATOM 1086 CB ALA A 58 9.372 1.419 6.979 1.00 1.91 C ATOM 0 H ALA A 58 6.523 2.631 7.080 1.00 1.14 H new ATOM 0 HA ALA A 58 8.385 1.734 5.109 1.00 1.28 H new ATOM 0 HB1 ALA A 58 9.889 0.517 6.651 1.00 1.91 H new ATOM 0 HB2 ALA A 58 10.025 2.281 6.844 1.00 1.91 H new ATOM 0 HB3 ALA A 58 9.110 1.324 8.033 1.00 1.91 H new ATOM 1092 N ALA A 59 6.185 0.321 5.429 1.00 1.24 N ATOM 1093 CA ALA A 59 5.282 -0.829 5.376 1.00 1.70 C ATOM 1094 C ALA A 59 5.939 -2.077 4.791 1.00 1.52 C ATOM 1095 O ALA A 59 6.975 -2.004 4.129 1.00 1.54 O ATOM 1096 CB ALA A 59 4.060 -0.495 4.552 1.00 2.43 C ATOM 0 H ALA A 59 5.948 1.069 4.778 1.00 1.24 H new ATOM 0 HA ALA A 59 5.006 -1.048 6.407 1.00 1.70 H new ATOM 0 HB1 ALA A 59 3.396 -1.359 4.520 1.00 2.43 H new ATOM 0 HB2 ALA A 59 3.537 0.349 5.002 1.00 2.43 H new ATOM 0 HB3 ALA A 59 4.365 -0.234 3.539 1.00 2.43 H new ATOM 1102 N ALA A 60 5.308 -3.218 5.049 1.00 1.85 N ATOM 1103 CA ALA A 60 5.711 -4.484 4.459 1.00 1.85 C ATOM 1104 C ALA A 60 5.308 -4.555 2.990 1.00 2.49 C ATOM 1105 O ALA A 60 4.410 -3.834 2.547 1.00 3.18 O ATOM 1106 CB ALA A 60 5.085 -5.638 5.227 1.00 2.34 C ATOM 0 H ALA A 60 4.504 -3.288 5.673 1.00 1.85 H new ATOM 0 HA ALA A 60 6.797 -4.559 4.519 1.00 1.85 H new ATOM 0 HB1 ALA A 60 5.392 -6.583 4.778 1.00 2.34 H new ATOM 0 HB2 ALA A 60 5.415 -5.605 6.265 1.00 2.34 H new ATOM 0 HB3 ALA A 60 3.999 -5.554 5.188 1.00 2.34 H new ATOM 1112 N LEU A 61 5.954 -5.439 2.242 1.00 2.99 N ATOM 1113 CA LEU A 61 5.691 -5.568 0.812 1.00 4.03 C ATOM 1114 C LEU A 61 4.931 -6.850 0.506 1.00 4.34 C ATOM 1115 O LEU A 61 4.882 -7.299 -0.635 1.00 4.63 O ATOM 1116 CB LEU A 61 7.007 -5.536 0.031 1.00 5.03 C ATOM 1117 CG LEU A 61 7.829 -4.254 0.187 1.00 5.72 C ATOM 1118 CD1 LEU A 61 9.137 -4.366 -0.577 1.00 6.55 C ATOM 1119 CD2 LEU A 61 7.030 -3.046 -0.286 1.00 6.16 C ATOM 0 H LEU A 61 6.664 -6.078 2.600 1.00 2.99 H new ATOM 0 HA LEU A 61 5.071 -4.726 0.504 1.00 4.03 H new ATOM 0 HB2 LEU A 61 7.619 -6.381 0.347 1.00 5.03 H new ATOM 0 HB3 LEU A 61 6.786 -5.680 -1.027 1.00 5.03 H new ATOM 0 HG LEU A 61 8.060 -4.117 1.243 1.00 5.72 H new ATOM 0 HD11 LEU A 61 9.709 -3.446 -0.456 1.00 6.55 H new ATOM 0 HD12 LEU A 61 9.714 -5.206 -0.190 1.00 6.55 H new ATOM 0 HD13 LEU A 61 8.928 -4.526 -1.635 1.00 6.55 H new ATOM 0 HD21 LEU A 61 7.630 -2.144 -0.168 1.00 6.16 H new ATOM 0 HD22 LEU A 61 6.767 -3.172 -1.336 1.00 6.16 H new ATOM 0 HD23 LEU A 61 6.120 -2.957 0.307 1.00 6.16 H new ATOM 1131 N SER A 62 4.303 -7.387 1.531 1.00 4.74 N ATOM 1132 CA SER A 62 3.599 -8.657 1.471 1.00 5.35 C ATOM 1133 C SER A 62 3.246 -9.018 2.903 1.00 5.02 C ATOM 1134 O SER A 62 3.190 -8.136 3.760 1.00 5.49 O ATOM 1135 CB SER A 62 4.493 -9.746 0.857 1.00 6.13 C ATOM 1136 OG SER A 62 3.739 -10.897 0.512 1.00 6.82 O ATOM 0 H SER A 62 4.265 -6.946 2.450 1.00 4.74 H new ATOM 0 HA SER A 62 2.709 -8.580 0.847 1.00 5.35 H new ATOM 0 HB2 SER A 62 4.990 -9.354 -0.031 1.00 6.13 H new ATOM 0 HB3 SER A 62 5.275 -10.020 1.565 1.00 6.13 H new ATOM 0 HG SER A 62 3.580 -10.906 -0.455 1.00 6.82 H new ATOM 1142 N SER A 63 3.036 -10.288 3.179 1.00 4.58 N ATOM 1143 CA SER A 63 2.898 -10.732 4.551 1.00 4.63 C ATOM 1144 C SER A 63 4.289 -10.953 5.135 1.00 4.13 C ATOM 1145 O SER A 63 4.456 -11.427 6.259 1.00 4.53 O ATOM 1146 CB SER A 63 2.042 -12.005 4.622 1.00 5.39 C ATOM 1147 OG SER A 63 1.764 -12.385 5.960 1.00 6.30 O ATOM 0 H SER A 63 2.958 -11.026 2.479 1.00 4.58 H new ATOM 0 HA SER A 63 2.385 -9.972 5.141 1.00 4.63 H new ATOM 0 HB2 SER A 63 1.105 -11.842 4.089 1.00 5.39 H new ATOM 0 HB3 SER A 63 2.560 -12.819 4.114 1.00 5.39 H new ATOM 0 HG SER A 63 2.547 -12.205 6.521 1.00 6.30 H new ATOM 1153 N ASP A 64 5.283 -10.562 4.354 1.00 3.70 N ATOM 1154 CA ASP A 64 6.669 -10.631 4.759 1.00 3.78 C ATOM 1155 C ASP A 64 7.325 -9.329 4.373 1.00 3.64 C ATOM 1156 O ASP A 64 7.300 -8.946 3.203 1.00 4.24 O ATOM 1157 CB ASP A 64 7.382 -11.803 4.080 1.00 4.76 C ATOM 1158 CG ASP A 64 8.817 -11.963 4.551 1.00 5.44 C ATOM 1159 OD1 ASP A 64 9.703 -11.275 4.002 1.00 5.83 O ATOM 1160 OD2 ASP A 64 9.065 -12.771 5.469 1.00 5.89 O ATOM 0 H ASP A 64 5.145 -10.186 3.416 1.00 3.70 H new ATOM 0 HA ASP A 64 6.733 -10.791 5.835 1.00 3.78 H new ATOM 0 HB2 ASP A 64 6.833 -12.723 4.280 1.00 4.76 H new ATOM 0 HB3 ASP A 64 7.372 -11.654 3.000 1.00 4.76 H new ATOM 1165 N VAL A 65 7.852 -8.620 5.350 1.00 3.46 N ATOM 1166 CA VAL A 65 8.470 -7.343 5.072 1.00 4.03 C ATOM 1167 C VAL A 65 9.760 -7.571 4.285 1.00 4.57 C ATOM 1168 O VAL A 65 9.813 -7.392 3.067 1.00 5.28 O ATOM 1169 CB VAL A 65 8.800 -6.562 6.365 1.00 4.22 C ATOM 1170 CG1 VAL A 65 9.213 -5.132 6.044 1.00 5.28 C ATOM 1171 CG2 VAL A 65 7.630 -6.581 7.338 1.00 4.30 C ATOM 0 H VAL A 65 7.865 -8.902 6.330 1.00 3.46 H new ATOM 0 HA VAL A 65 7.761 -6.750 4.494 1.00 4.03 H new ATOM 0 HB VAL A 65 9.641 -7.061 6.847 1.00 4.22 H new ATOM 0 HG11 VAL A 65 9.440 -4.602 6.969 1.00 5.28 H new ATOM 0 HG12 VAL A 65 10.097 -5.143 5.406 1.00 5.28 H new ATOM 0 HG13 VAL A 65 8.398 -4.625 5.527 1.00 5.28 H new ATOM 0 HG21 VAL A 65 7.895 -6.023 8.236 1.00 4.30 H new ATOM 0 HG22 VAL A 65 6.759 -6.122 6.869 1.00 4.30 H new ATOM 0 HG23 VAL A 65 7.397 -7.611 7.606 1.00 4.30 H new ATOM 1181 N ILE A 66 10.787 -7.975 5.015 1.00 4.67 N ATOM 1182 CA ILE A 66 12.066 -8.398 4.459 1.00 5.63 C ATOM 1183 C ILE A 66 12.564 -9.503 5.377 1.00 5.81 C ATOM 1184 O ILE A 66 13.763 -9.741 5.530 1.00 6.55 O ATOM 1185 CB ILE A 66 13.106 -7.257 4.454 1.00 6.56 C ATOM 1186 CG1 ILE A 66 12.487 -5.935 3.985 1.00 6.73 C ATOM 1187 CG2 ILE A 66 14.291 -7.618 3.564 1.00 7.45 C ATOM 1188 CD1 ILE A 66 13.434 -4.755 4.057 1.00 7.56 C ATOM 0 H ILE A 66 10.756 -8.020 6.034 1.00 4.67 H new ATOM 0 HA ILE A 66 11.936 -8.717 3.425 1.00 5.63 H new ATOM 0 HB ILE A 66 13.453 -7.126 5.479 1.00 6.56 H new ATOM 0 HG12 ILE A 66 12.143 -6.050 2.957 1.00 6.73 H new ATOM 0 HG13 ILE A 66 11.608 -5.721 4.593 1.00 6.73 H new ATOM 0 HG21 ILE A 66 15.014 -6.802 3.572 1.00 7.45 H new ATOM 0 HG22 ILE A 66 14.764 -8.526 3.938 1.00 7.45 H new ATOM 0 HG23 ILE A 66 13.943 -7.784 2.544 1.00 7.45 H new ATOM 0 HD11 ILE A 66 12.924 -3.857 3.709 1.00 7.56 H new ATOM 0 HD12 ILE A 66 13.759 -4.611 5.088 1.00 7.56 H new ATOM 0 HD13 ILE A 66 14.302 -4.946 3.426 1.00 7.56 H new ATOM 1200 N SER A 67 11.578 -10.169 5.967 1.00 5.44 N ATOM 1201 CA SER A 67 11.745 -11.021 7.138 1.00 5.98 C ATOM 1202 C SER A 67 11.880 -10.127 8.372 1.00 7.11 C ATOM 1203 O SER A 67 11.811 -8.896 8.265 1.00 7.59 O ATOM 1204 CB SER A 67 12.945 -11.969 7.002 1.00 6.10 C ATOM 1205 OG SER A 67 13.028 -12.857 8.110 1.00 6.60 O ATOM 0 H SER A 67 10.614 -10.130 5.635 1.00 5.44 H new ATOM 0 HA SER A 67 10.868 -11.661 7.237 1.00 5.98 H new ATOM 0 HB2 SER A 67 12.856 -12.542 6.079 1.00 6.10 H new ATOM 0 HB3 SER A 67 13.864 -11.388 6.929 1.00 6.10 H new ATOM 0 HG SER A 67 13.800 -13.450 7.997 1.00 6.60 H new ATOM 1211 N ALA A 68 12.053 -10.726 9.536 1.00 7.74 N ATOM 1212 CA ALA A 68 12.166 -9.958 10.763 1.00 8.91 C ATOM 1213 C ALA A 68 13.604 -9.513 10.974 1.00 9.09 C ATOM 1214 O ALA A 68 14.502 -10.343 11.127 1.00 8.87 O ATOM 1215 CB ALA A 68 11.674 -10.770 11.952 1.00 9.69 C ATOM 0 H ALA A 68 12.118 -11.737 9.658 1.00 7.74 H new ATOM 0 HA ALA A 68 11.538 -9.071 10.676 1.00 8.91 H new ATOM 0 HB1 ALA A 68 11.767 -10.176 12.861 1.00 9.69 H new ATOM 0 HB2 ALA A 68 10.629 -11.040 11.801 1.00 9.69 H new ATOM 0 HB3 ALA A 68 12.273 -11.676 12.047 1.00 9.69 H new ATOM 1221 N LEU A 69 13.807 -8.199 10.990 1.00 9.69 N ATOM 1222 CA LEU A 69 15.137 -7.613 11.133 1.00 10.15 C ATOM 1223 C LEU A 69 15.057 -6.101 11.355 1.00 9.38 C ATOM 1224 O LEU A 69 16.036 -5.478 11.769 1.00 9.52 O ATOM 1225 CB LEU A 69 16.028 -7.938 9.915 1.00 10.80 C ATOM 1226 CG LEU A 69 15.323 -8.037 8.549 1.00 11.70 C ATOM 1227 CD1 LEU A 69 14.842 -6.677 8.067 1.00 12.35 C ATOM 1228 CD2 LEU A 69 16.254 -8.656 7.522 1.00 12.59 C ATOM 0 H LEU A 69 13.058 -7.512 10.905 1.00 9.69 H new ATOM 0 HA LEU A 69 15.596 -8.060 12.015 1.00 10.15 H new ATOM 0 HB2 LEU A 69 16.800 -7.172 9.845 1.00 10.80 H new ATOM 0 HB3 LEU A 69 16.534 -8.884 10.106 1.00 10.80 H new ATOM 0 HG LEU A 69 14.448 -8.675 8.673 1.00 11.70 H new ATOM 0 HD11 LEU A 69 14.350 -6.787 7.101 1.00 12.35 H new ATOM 0 HD12 LEU A 69 14.137 -6.264 8.788 1.00 12.35 H new ATOM 0 HD13 LEU A 69 15.694 -6.005 7.966 1.00 12.35 H new ATOM 0 HD21 LEU A 69 15.744 -8.721 6.561 1.00 12.59 H new ATOM 0 HD22 LEU A 69 17.145 -8.037 7.419 1.00 12.59 H new ATOM 0 HD23 LEU A 69 16.542 -9.656 7.848 1.00 12.59 H new ATOM 1240 N SER A 70 13.891 -5.521 11.056 1.00 8.79 N ATOM 1241 CA SER A 70 13.626 -4.101 11.306 1.00 8.22 C ATOM 1242 C SER A 70 14.540 -3.191 10.488 1.00 8.84 C ATOM 1243 O SER A 70 14.662 -2.003 10.777 1.00 8.93 O ATOM 1244 CB SER A 70 13.752 -3.809 12.802 1.00 8.19 C ATOM 1245 OG SER A 70 12.839 -4.603 13.545 1.00 7.74 O ATOM 0 H SER A 70 13.107 -6.020 10.636 1.00 8.79 H new ATOM 0 HA SER A 70 12.607 -3.886 10.984 1.00 8.22 H new ATOM 0 HB2 SER A 70 14.771 -4.011 13.133 1.00 8.19 H new ATOM 0 HB3 SER A 70 13.560 -2.753 12.989 1.00 8.19 H new ATOM 0 HG SER A 70 12.935 -4.404 14.500 1.00 7.74 H new ATOM 1251 N SER A 71 15.151 -3.762 9.445 1.00 9.47 N ATOM 1252 CA SER A 71 16.094 -3.043 8.589 1.00 10.26 C ATOM 1253 C SER A 71 17.311 -2.593 9.398 1.00 10.85 C ATOM 1254 O SER A 71 18.117 -1.778 8.941 1.00 11.64 O ATOM 1255 CB SER A 71 15.409 -1.838 7.936 1.00 11.01 C ATOM 1256 OG SER A 71 14.221 -2.229 7.265 1.00 11.01 O ATOM 0 H SER A 71 15.005 -4.734 9.173 1.00 9.47 H new ATOM 0 HA SER A 71 16.432 -3.717 7.802 1.00 10.26 H new ATOM 0 HB2 SER A 71 15.173 -1.093 8.696 1.00 11.01 H new ATOM 0 HB3 SER A 71 16.092 -1.366 7.229 1.00 11.01 H new ATOM 0 HG SER A 71 13.801 -1.443 6.858 1.00 11.01 H new ATOM 1262 N GLN A 72 17.453 -3.165 10.585 1.00 10.63 N ATOM 1263 CA GLN A 72 18.473 -2.747 11.523 1.00 11.35 C ATOM 1264 C GLN A 72 19.729 -3.589 11.370 1.00 12.08 C ATOM 1265 O GLN A 72 19.735 -4.780 11.678 1.00 12.07 O ATOM 1266 CB GLN A 72 17.945 -2.853 12.951 1.00 11.11 C ATOM 1267 CG GLN A 72 16.665 -2.066 13.188 1.00 10.22 C ATOM 1268 CD GLN A 72 16.319 -1.973 14.658 1.00 10.42 C ATOM 1269 OE1 GLN A 72 15.593 -2.807 15.196 1.00 10.46 O ATOM 1270 NE2 GLN A 72 16.859 -0.966 15.321 1.00 10.77 N ATOM 0 H GLN A 72 16.865 -3.928 10.920 1.00 10.63 H new ATOM 0 HA GLN A 72 18.728 -1.709 11.310 1.00 11.35 H new ATOM 0 HB2 GLN A 72 17.765 -3.902 13.186 1.00 11.11 H new ATOM 0 HB3 GLN A 72 18.712 -2.499 13.640 1.00 11.11 H new ATOM 0 HG2 GLN A 72 16.776 -1.062 12.778 1.00 10.22 H new ATOM 0 HG3 GLN A 72 15.843 -2.541 12.652 1.00 10.22 H new ATOM 0 HE21 GLN A 72 17.456 -0.297 14.835 1.00 10.77 H new ATOM 0 HE22 GLN A 72 16.679 -0.858 16.319 1.00 10.77 H new ATOM 1279 N LYS A 73 20.778 -2.969 10.860 1.00 12.85 N ATOM 1280 CA LYS A 73 22.071 -3.609 10.770 1.00 13.68 C ATOM 1281 C LYS A 73 22.941 -3.184 11.946 1.00 14.18 C ATOM 1282 O LYS A 73 23.389 -2.039 12.034 1.00 14.47 O ATOM 1283 CB LYS A 73 22.744 -3.300 9.426 1.00 14.41 C ATOM 1284 CG LYS A 73 22.976 -1.821 9.133 1.00 14.85 C ATOM 1285 CD LYS A 73 21.695 -1.124 8.707 1.00 14.25 C ATOM 1286 CE LYS A 73 21.169 -1.667 7.388 1.00 14.52 C ATOM 1287 NZ LYS A 73 19.917 -0.986 6.967 1.00 14.92 N ATOM 0 H LYS A 73 20.755 -2.015 10.500 1.00 12.85 H new ATOM 0 HA LYS A 73 21.936 -4.690 10.819 1.00 13.68 H new ATOM 0 HB2 LYS A 73 23.705 -3.814 9.394 1.00 14.41 H new ATOM 0 HB3 LYS A 73 22.131 -3.719 8.628 1.00 14.41 H new ATOM 0 HG2 LYS A 73 23.378 -1.333 10.021 1.00 14.85 H new ATOM 0 HG3 LYS A 73 23.724 -1.719 8.347 1.00 14.85 H new ATOM 0 HD2 LYS A 73 20.938 -1.251 9.480 1.00 14.25 H new ATOM 0 HD3 LYS A 73 21.878 -0.054 8.613 1.00 14.25 H new ATOM 0 HE2 LYS A 73 21.928 -1.541 6.616 1.00 14.52 H new ATOM 0 HE3 LYS A 73 20.985 -2.737 7.484 1.00 14.52 H new ATOM 0 HZ1 LYS A 73 19.711 -1.221 5.975 1.00 14.92 H new ATOM 0 HZ2 LYS A 73 19.130 -1.303 7.568 1.00 14.92 H new ATOM 0 HZ3 LYS A 73 20.033 0.043 7.063 1.00 14.92 H new ATOM 1301 N LYS A 74 23.141 -4.103 12.874 1.00 14.42 N ATOM 1302 CA LYS A 74 23.886 -3.807 14.083 1.00 15.05 C ATOM 1303 C LYS A 74 25.194 -4.579 14.094 1.00 16.04 C ATOM 1304 O LYS A 74 26.242 -3.971 13.796 1.00 16.42 O ATOM 1305 CB LYS A 74 23.048 -4.146 15.321 1.00 14.62 C ATOM 1306 CG LYS A 74 21.712 -3.420 15.361 1.00 13.81 C ATOM 1307 CD LYS A 74 20.900 -3.797 16.587 1.00 13.84 C ATOM 1308 CE LYS A 74 21.565 -3.330 17.871 1.00 13.62 C ATOM 1309 NZ LYS A 74 20.772 -3.703 19.066 1.00 13.67 N ATOM 1310 OXT LYS A 74 25.169 -5.796 14.367 1.00 16.53 O ATOM 0 H LYS A 74 22.797 -5.061 12.813 1.00 14.42 H new ATOM 0 HA LYS A 74 24.113 -2.741 14.104 1.00 15.05 H new ATOM 0 HB2 LYS A 74 22.870 -5.221 15.347 1.00 14.62 H new ATOM 0 HB3 LYS A 74 23.617 -3.895 16.216 1.00 14.62 H new ATOM 0 HG2 LYS A 74 21.883 -2.344 15.356 1.00 13.81 H new ATOM 0 HG3 LYS A 74 21.143 -3.656 14.462 1.00 13.81 H new ATOM 0 HD2 LYS A 74 19.905 -3.358 16.513 1.00 13.84 H new ATOM 0 HD3 LYS A 74 20.770 -4.879 16.618 1.00 13.84 H new ATOM 0 HE2 LYS A 74 22.561 -3.766 17.945 1.00 13.62 H new ATOM 0 HE3 LYS A 74 21.692 -2.248 17.842 1.00 13.62 H new ATOM 0 HZ1 LYS A 74 21.257 -3.368 19.923 1.00 13.67 H new ATOM 0 HZ2 LYS A 74 19.830 -3.266 19.008 1.00 13.67 H new ATOM 0 HZ3 LYS A 74 20.672 -4.737 19.107 1.00 13.67 H new TER 1324 LYS A 74