USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 631 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 42 ASN : amide:sc= 1.56 K(o=2.9,f=-4.8!) USER MOD Set 1.2: A 44 SER OG : rot 60:sc= 1.32 USER MOD Set 2.1: A 26 GLN : amide:sc= -0.515 K(o=-0.51,f=-2.5!) USER MOD Set 2.2: A 67 TYR OH : rot 150:sc= 0 USER MOD Set 3.1: A 24 SER OG : rot -40:sc= 0.052 USER MOD Set 3.2: A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 6:sc= 0.148 USER MOD Single : A 6 LYS NZ :NH3+ 156:sc= -0.107 (180deg=-0.438) USER MOD Single : A 7 GLN : amide:sc= -0.084 K(o=-0.084,f=-1.6) USER MOD Single : A 12 LYS NZ :NH3+ 153:sc= 1.25 (180deg=0.475) USER MOD Single : A 15 LYS NZ :NH3+ -170:sc= -0.904 (180deg=-1.43) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.127) USER MOD Single : A 22 LYS NZ :NH3+ 165:sc=-0.00732 (180deg=-0.127) USER MOD Single : A 34 GLN : amide:sc= -0.0298 K(o=-0.03,f=-0.56) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 40 ASN : amide:sc= -0.0183 K(o=-0.018,f=-1.6!) USER MOD Single : A 43 GLN : amide:sc= -0.377 K(o=-0.38,f=-2.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -78:sc= 1.01 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 1.77 K(o=1.8,f=-8.3!) USER MOD Single : A 62 LYS NZ :NH3+ -156:sc= 1.17 (180deg=0.321) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -132:sc= -0.186 (180deg=-0.752) USER MOD Single : A 68 CYS SG : rot -8:sc= -0.362 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 42:sc= 0.53 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.330 13.916 2.130 1.00 10.84 N ATOM 2 CA MET A 1 -21.283 13.018 3.315 1.00 10.16 C ATOM 3 C MET A 1 -20.846 11.611 2.903 1.00 9.27 C ATOM 4 O MET A 1 -21.554 10.921 2.166 1.00 9.22 O ATOM 5 CB MET A 1 -22.673 12.986 3.983 1.00 10.59 C ATOM 6 CG MET A 1 -22.777 12.043 5.180 1.00 11.48 C ATOM 7 SD MET A 1 -21.489 12.325 6.419 1.00 11.94 S ATOM 8 CE MET A 1 -22.379 13.282 7.638 1.00 12.56 C ATOM 0 H1 MET A 1 -21.628 14.867 2.427 1.00 10.84 H new ATOM 0 H2 MET A 1 -20.386 13.969 1.697 1.00 10.84 H new ATOM 0 H3 MET A 1 -22.009 13.541 1.437 1.00 10.84 H new ATOM 0 HA MET A 1 -20.553 13.398 4.029 1.00 10.16 H new ATOM 0 HB2 MET A 1 -22.930 13.994 4.307 1.00 10.59 H new ATOM 0 HB3 MET A 1 -23.413 12.692 3.239 1.00 10.59 H new ATOM 0 HG2 MET A 1 -23.755 12.164 5.647 1.00 11.48 H new ATOM 0 HG3 MET A 1 -22.717 11.013 4.830 1.00 11.48 H new ATOM 0 HE1 MET A 1 -21.712 13.530 8.464 1.00 12.56 H new ATOM 0 HE2 MET A 1 -22.748 14.200 7.181 1.00 12.56 H new ATOM 0 HE3 MET A 1 -23.221 12.700 8.014 1.00 12.56 H new ATOM 20 N ARG A 2 -19.668 11.199 3.371 1.00 8.82 N ATOM 21 CA ARG A 2 -19.119 9.875 3.064 1.00 8.17 C ATOM 22 C ARG A 2 -18.687 9.168 4.350 1.00 7.58 C ATOM 23 O ARG A 2 -18.049 9.773 5.217 1.00 7.72 O ATOM 24 CB ARG A 2 -17.926 9.998 2.102 1.00 8.58 C ATOM 25 CG ARG A 2 -18.207 10.860 0.876 1.00 9.29 C ATOM 26 CD ARG A 2 -16.997 10.934 -0.048 1.00 9.46 C ATOM 27 NE ARG A 2 -17.011 9.888 -1.077 1.00 9.75 N ATOM 28 CZ ARG A 2 -17.660 9.989 -2.244 1.00 10.18 C ATOM 29 NH1 ARG A 2 -18.383 11.071 -2.517 1.00 10.36 N ATOM 30 NH2 ARG A 2 -17.605 8.998 -3.118 1.00 10.67 N ATOM 0 H ARG A 2 -19.070 11.768 3.970 1.00 8.82 H new ATOM 0 HA ARG A 2 -19.896 9.283 2.582 1.00 8.17 H new ATOM 0 HB2 ARG A 2 -17.078 10.418 2.643 1.00 8.58 H new ATOM 0 HB3 ARG A 2 -17.633 9.001 1.773 1.00 8.58 H new ATOM 0 HG2 ARG A 2 -19.057 10.451 0.330 1.00 9.29 H new ATOM 0 HG3 ARG A 2 -18.485 11.865 1.193 1.00 9.29 H new ATOM 0 HD2 ARG A 2 -16.970 11.912 -0.529 1.00 9.46 H new ATOM 0 HD3 ARG A 2 -16.086 10.845 0.544 1.00 9.46 H new ATOM 0 HE ARG A 2 -16.493 9.029 -0.892 1.00 9.75 H new ATOM 0 HH11 ARG A 2 -18.445 11.828 -1.836 1.00 10.36 H new ATOM 0 HH12 ARG A 2 -18.876 11.144 -3.407 1.00 10.36 H new ATOM 0 HH21 ARG A 2 -17.069 8.158 -2.903 1.00 10.67 H new ATOM 0 HH22 ARG A 2 -18.099 9.074 -4.007 1.00 10.67 H new ATOM 44 N SER A 3 -19.059 7.898 4.468 1.00 7.20 N ATOM 45 CA SER A 3 -18.709 7.070 5.631 1.00 6.89 C ATOM 46 C SER A 3 -17.760 5.948 5.194 1.00 5.94 C ATOM 47 O SER A 3 -16.593 5.920 5.589 1.00 6.02 O ATOM 48 CB SER A 3 -19.981 6.499 6.299 1.00 7.63 C ATOM 49 OG SER A 3 -21.115 6.572 5.439 1.00 8.43 O ATOM 0 H SER A 3 -19.611 7.408 3.764 1.00 7.20 H new ATOM 0 HA SER A 3 -18.201 7.688 6.371 1.00 6.89 H new ATOM 0 HB2 SER A 3 -19.807 5.461 6.582 1.00 7.63 H new ATOM 0 HB3 SER A 3 -20.186 7.049 7.217 1.00 7.63 H new ATOM 0 HG SER A 3 -21.897 6.200 5.897 1.00 8.43 H new ATOM 55 N SER A 4 -18.252 5.069 4.323 1.00 5.38 N ATOM 56 CA SER A 4 -17.458 3.971 3.765 1.00 4.74 C ATOM 57 C SER A 4 -17.965 3.643 2.356 1.00 4.08 C ATOM 58 O SER A 4 -18.902 2.865 2.189 1.00 4.43 O ATOM 59 CB SER A 4 -17.531 2.728 4.669 1.00 5.40 C ATOM 60 OG SER A 4 -16.804 2.922 5.878 1.00 6.32 O ATOM 0 H SER A 4 -19.213 5.096 3.983 1.00 5.38 H new ATOM 0 HA SER A 4 -16.414 4.280 3.709 1.00 4.74 H new ATOM 0 HB2 SER A 4 -18.573 2.505 4.901 1.00 5.40 H new ATOM 0 HB3 SER A 4 -17.131 1.865 4.137 1.00 5.40 H new ATOM 0 HG SER A 4 -16.489 3.849 5.925 1.00 6.32 H new ATOM 66 N ALA A 5 -17.396 4.314 1.353 1.00 3.63 N ATOM 67 CA ALA A 5 -17.797 4.140 -0.047 1.00 3.45 C ATOM 68 C ALA A 5 -17.147 2.901 -0.679 1.00 2.57 C ATOM 69 O ALA A 5 -16.116 3.005 -1.348 1.00 2.77 O ATOM 70 CB ALA A 5 -17.447 5.391 -0.847 1.00 4.25 C ATOM 0 H ALA A 5 -16.646 4.992 1.486 1.00 3.63 H new ATOM 0 HA ALA A 5 -18.876 3.987 -0.069 1.00 3.45 H new ATOM 0 HB1 ALA A 5 -17.748 5.255 -1.886 1.00 4.25 H new ATOM 0 HB2 ALA A 5 -17.971 6.250 -0.427 1.00 4.25 H new ATOM 0 HB3 ALA A 5 -16.372 5.564 -0.800 1.00 4.25 H new ATOM 76 N LYS A 6 -17.772 1.742 -0.454 1.00 2.17 N ATOM 77 CA LYS A 6 -17.359 0.457 -1.022 1.00 1.92 C ATOM 78 C LYS A 6 -15.867 0.144 -0.850 1.00 1.64 C ATOM 79 O LYS A 6 -15.061 0.319 -1.771 1.00 2.32 O ATOM 80 CB LYS A 6 -17.766 0.400 -2.491 1.00 2.86 C ATOM 81 CG LYS A 6 -19.267 0.218 -2.694 1.00 3.45 C ATOM 82 CD LYS A 6 -19.733 -1.188 -2.317 1.00 4.36 C ATOM 83 CE LYS A 6 -20.954 -1.622 -3.123 1.00 5.20 C ATOM 84 NZ LYS A 6 -20.652 -1.756 -4.576 1.00 5.61 N ATOM 0 H LYS A 6 -18.597 1.670 0.141 1.00 2.17 H new ATOM 0 HA LYS A 6 -17.876 -0.319 -0.457 1.00 1.92 H new ATOM 0 HB2 LYS A 6 -17.448 1.318 -2.985 1.00 2.86 H new ATOM 0 HB3 LYS A 6 -17.238 -0.422 -2.976 1.00 2.86 H new ATOM 0 HG2 LYS A 6 -19.805 0.951 -2.093 1.00 3.45 H new ATOM 0 HG3 LYS A 6 -19.518 0.415 -3.736 1.00 3.45 H new ATOM 0 HD2 LYS A 6 -18.920 -1.895 -2.481 1.00 4.36 H new ATOM 0 HD3 LYS A 6 -19.971 -1.218 -1.254 1.00 4.36 H new ATOM 0 HE2 LYS A 6 -21.320 -2.575 -2.740 1.00 5.20 H new ATOM 0 HE3 LYS A 6 -21.755 -0.895 -2.986 1.00 5.20 H new ATOM 0 HZ1 LYS A 6 -21.331 -2.412 -5.013 1.00 5.61 H new ATOM 0 HZ2 LYS A 6 -20.727 -0.825 -5.033 1.00 5.61 H new ATOM 0 HZ3 LYS A 6 -19.687 -2.125 -4.697 1.00 5.61 H new ATOM 98 N GLN A 7 -15.540 -0.397 0.322 1.00 1.12 N ATOM 99 CA GLN A 7 -14.188 -0.835 0.681 1.00 0.87 C ATOM 100 C GLN A 7 -13.113 0.246 0.471 1.00 0.74 C ATOM 101 O GLN A 7 -11.973 -0.056 0.113 1.00 0.75 O ATOM 102 CB GLN A 7 -13.828 -2.141 -0.055 1.00 1.05 C ATOM 103 CG GLN A 7 -13.740 -3.340 0.886 1.00 1.31 C ATOM 104 CD GLN A 7 -12.914 -4.485 0.322 1.00 1.15 C ATOM 105 OE1 GLN A 7 -12.712 -4.586 -0.889 1.00 1.76 O ATOM 106 NE2 GLN A 7 -12.438 -5.362 1.193 1.00 1.09 N ATOM 0 H GLN A 7 -16.221 -0.547 1.066 1.00 1.12 H new ATOM 0 HA GLN A 7 -14.200 -1.028 1.754 1.00 0.87 H new ATOM 0 HB2 GLN A 7 -14.577 -2.340 -0.822 1.00 1.05 H new ATOM 0 HB3 GLN A 7 -12.874 -2.014 -0.566 1.00 1.05 H new ATOM 0 HG2 GLN A 7 -13.306 -3.019 1.833 1.00 1.31 H new ATOM 0 HG3 GLN A 7 -14.746 -3.699 1.102 1.00 1.31 H new ATOM 0 HE21 GLN A 7 -12.626 -5.245 2.189 1.00 1.09 H new ATOM 0 HE22 GLN A 7 -11.883 -6.154 0.868 1.00 1.09 H new ATOM 115 N GLU A 8 -13.447 1.491 0.798 1.00 0.74 N ATOM 116 CA GLU A 8 -12.461 2.584 0.760 1.00 0.76 C ATOM 117 C GLU A 8 -11.489 2.474 1.948 1.00 0.68 C ATOM 118 O GLU A 8 -10.469 3.162 2.002 1.00 0.98 O ATOM 119 CB GLU A 8 -13.167 3.943 0.782 1.00 0.92 C ATOM 120 CG GLU A 8 -14.148 4.111 1.936 1.00 1.50 C ATOM 121 CD GLU A 8 -14.383 5.563 2.288 1.00 1.93 C ATOM 122 OE1 GLU A 8 -13.548 6.139 3.011 1.00 2.24 O ATOM 123 OE2 GLU A 8 -15.381 6.140 1.815 1.00 2.61 O ATOM 0 H GLU A 8 -14.382 1.774 1.091 1.00 0.74 H new ATOM 0 HA GLU A 8 -11.892 2.500 -0.166 1.00 0.76 H new ATOM 0 HB2 GLU A 8 -12.416 4.731 0.839 1.00 0.92 H new ATOM 0 HB3 GLU A 8 -13.701 4.079 -0.158 1.00 0.92 H new ATOM 0 HG2 GLU A 8 -15.098 3.646 1.672 1.00 1.50 H new ATOM 0 HG3 GLU A 8 -13.768 3.585 2.812 1.00 1.50 H new ATOM 130 N GLU A 9 -11.837 1.600 2.897 1.00 0.41 N ATOM 131 CA GLU A 9 -11.020 1.310 4.078 1.00 0.38 C ATOM 132 C GLU A 9 -9.758 0.576 3.659 1.00 0.34 C ATOM 133 O GLU A 9 -8.683 0.777 4.227 1.00 0.43 O ATOM 134 CB GLU A 9 -11.816 0.468 5.091 1.00 0.42 C ATOM 135 CG GLU A 9 -13.195 1.036 5.420 1.00 0.62 C ATOM 136 CD GLU A 9 -14.307 0.398 4.610 1.00 1.46 C ATOM 137 OE1 GLU A 9 -14.513 0.809 3.453 1.00 2.19 O ATOM 138 OE2 GLU A 9 -14.953 -0.535 5.121 1.00 2.23 O ATOM 0 H GLU A 9 -12.706 1.067 2.866 1.00 0.41 H new ATOM 0 HA GLU A 9 -10.745 2.250 4.556 1.00 0.38 H new ATOM 0 HB2 GLU A 9 -11.934 -0.541 4.696 1.00 0.42 H new ATOM 0 HB3 GLU A 9 -11.239 0.384 6.012 1.00 0.42 H new ATOM 0 HG2 GLU A 9 -13.397 0.892 6.481 1.00 0.62 H new ATOM 0 HG3 GLU A 9 -13.192 2.111 5.239 1.00 0.62 H new ATOM 145 N LEU A 10 -9.896 -0.228 2.597 1.00 0.28 N ATOM 146 CA LEU A 10 -8.765 -0.909 1.982 1.00 0.29 C ATOM 147 C LEU A 10 -7.761 0.121 1.469 1.00 0.26 C ATOM 148 O LEU A 10 -6.568 -0.144 1.431 1.00 0.30 O ATOM 149 CB LEU A 10 -9.242 -1.813 0.830 1.00 0.35 C ATOM 150 CG LEU A 10 -8.138 -2.510 0.024 1.00 0.35 C ATOM 151 CD1 LEU A 10 -7.189 -3.261 0.953 1.00 0.60 C ATOM 152 CD2 LEU A 10 -8.741 -3.453 -1.011 1.00 1.01 C ATOM 0 H LEU A 10 -10.791 -0.420 2.147 1.00 0.28 H new ATOM 0 HA LEU A 10 -8.280 -1.536 2.730 1.00 0.29 H new ATOM 0 HB2 LEU A 10 -9.901 -2.577 1.242 1.00 0.35 H new ATOM 0 HB3 LEU A 10 -9.840 -1.211 0.146 1.00 0.35 H new ATOM 0 HG LEU A 10 -7.566 -1.748 -0.505 1.00 0.35 H new ATOM 0 HD11 LEU A 10 -6.413 -3.749 0.363 1.00 0.60 H new ATOM 0 HD12 LEU A 10 -6.729 -2.559 1.648 1.00 0.60 H new ATOM 0 HD13 LEU A 10 -7.746 -4.013 1.512 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -7.941 -3.937 -1.572 1.00 1.01 H new ATOM 0 HD22 LEU A 10 -9.341 -4.211 -0.507 1.00 1.01 H new ATOM 0 HD23 LEU A 10 -9.372 -2.886 -1.695 1.00 1.01 H new ATOM 164 N VAL A 11 -8.254 1.320 1.118 1.00 0.26 N ATOM 165 CA VAL A 11 -7.368 2.400 0.673 1.00 0.29 C ATOM 166 C VAL A 11 -6.666 3.048 1.869 1.00 0.29 C ATOM 167 O VAL A 11 -5.442 3.096 1.893 1.00 0.37 O ATOM 168 CB VAL A 11 -8.105 3.484 -0.163 1.00 0.36 C ATOM 169 CG1 VAL A 11 -7.166 4.635 -0.535 1.00 0.43 C ATOM 170 CG2 VAL A 11 -8.714 2.866 -1.418 1.00 0.49 C ATOM 0 H VAL A 11 -9.245 1.561 1.134 1.00 0.26 H new ATOM 0 HA VAL A 11 -6.627 1.941 0.019 1.00 0.29 H new ATOM 0 HB VAL A 11 -8.907 3.893 0.452 1.00 0.36 H new ATOM 0 HG11 VAL A 11 -7.712 5.376 -1.119 1.00 0.43 H new ATOM 0 HG12 VAL A 11 -6.783 5.100 0.373 1.00 0.43 H new ATOM 0 HG13 VAL A 11 -6.334 4.250 -1.124 1.00 0.43 H new ATOM 0 HG21 VAL A 11 -9.226 3.638 -1.992 1.00 0.49 H new ATOM 0 HG22 VAL A 11 -7.924 2.425 -2.026 1.00 0.49 H new ATOM 0 HG23 VAL A 11 -9.427 2.092 -1.133 1.00 0.49 H new ATOM 180 N LYS A 12 -7.430 3.489 2.885 1.00 0.26 N ATOM 181 CA LYS A 12 -6.829 4.097 4.097 1.00 0.30 C ATOM 182 C LYS A 12 -5.711 3.207 4.655 1.00 0.27 C ATOM 183 O LYS A 12 -4.620 3.684 4.972 1.00 0.32 O ATOM 184 CB LYS A 12 -7.877 4.347 5.195 1.00 0.38 C ATOM 185 CG LYS A 12 -8.736 5.586 4.963 1.00 1.15 C ATOM 186 CD LYS A 12 -10.129 5.214 4.479 1.00 2.01 C ATOM 187 CE LYS A 12 -11.106 4.999 5.642 1.00 2.92 C ATOM 188 NZ LYS A 12 -12.434 5.636 5.410 1.00 3.46 N ATOM 0 H LYS A 12 -8.449 3.440 2.897 1.00 0.26 H new ATOM 0 HA LYS A 12 -6.414 5.058 3.795 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -8.527 3.475 5.267 1.00 0.38 H new ATOM 0 HB3 LYS A 12 -7.367 4.445 6.154 1.00 0.38 H new ATOM 0 HG2 LYS A 12 -8.811 6.157 5.889 1.00 1.15 H new ATOM 0 HG3 LYS A 12 -8.255 6.232 4.229 1.00 1.15 H new ATOM 0 HD2 LYS A 12 -10.509 6.002 3.828 1.00 2.01 H new ATOM 0 HD3 LYS A 12 -10.073 4.305 3.880 1.00 2.01 H new ATOM 0 HE2 LYS A 12 -11.244 3.930 5.800 1.00 2.92 H new ATOM 0 HE3 LYS A 12 -10.670 5.403 6.556 1.00 2.92 H new ATOM 0 HZ1 LYS A 12 -13.164 5.119 5.941 1.00 3.46 H new ATOM 0 HZ2 LYS A 12 -12.406 6.624 5.732 1.00 3.46 H new ATOM 0 HZ3 LYS A 12 -12.659 5.609 4.395 1.00 3.46 H new ATOM 202 N ALA A 13 -5.977 1.898 4.686 1.00 0.25 N ATOM 203 CA ALA A 13 -4.997 0.905 5.129 1.00 0.26 C ATOM 204 C ALA A 13 -3.809 0.817 4.156 1.00 0.22 C ATOM 205 O ALA A 13 -2.662 0.947 4.571 1.00 0.22 O ATOM 206 CB ALA A 13 -5.659 -0.460 5.291 1.00 0.30 C ATOM 0 H ALA A 13 -6.873 1.499 4.406 1.00 0.25 H new ATOM 0 HA ALA A 13 -4.611 1.224 6.097 1.00 0.26 H new ATOM 0 HB1 ALA A 13 -4.917 -1.187 5.621 1.00 0.30 H new ATOM 0 HB2 ALA A 13 -6.455 -0.392 6.032 1.00 0.30 H new ATOM 0 HB3 ALA A 13 -6.078 -0.777 4.336 1.00 0.30 H new ATOM 212 N PHE A 14 -4.102 0.618 2.858 1.00 0.21 N ATOM 213 CA PHE A 14 -3.063 0.521 1.806 1.00 0.19 C ATOM 214 C PHE A 14 -2.095 1.711 1.857 1.00 0.17 C ATOM 215 O PHE A 14 -0.897 1.543 2.107 1.00 0.21 O ATOM 216 CB PHE A 14 -3.725 0.455 0.419 1.00 0.19 C ATOM 217 CG PHE A 14 -2.810 -0.028 -0.678 1.00 0.17 C ATOM 218 CD1 PHE A 14 -2.652 -1.383 -0.927 1.00 1.16 C ATOM 219 CD2 PHE A 14 -2.113 0.877 -1.466 1.00 1.22 C ATOM 220 CE1 PHE A 14 -1.816 -1.823 -1.935 1.00 1.17 C ATOM 221 CE2 PHE A 14 -1.271 0.439 -2.469 1.00 1.21 C ATOM 222 CZ PHE A 14 -1.124 -0.911 -2.701 1.00 0.16 C ATOM 0 H PHE A 14 -5.055 0.520 2.507 1.00 0.21 H new ATOM 0 HA PHE A 14 -2.492 -0.389 1.987 1.00 0.19 H new ATOM 0 HB2 PHE A 14 -4.590 -0.205 0.473 1.00 0.19 H new ATOM 0 HB3 PHE A 14 -4.096 1.446 0.158 1.00 0.19 H new ATOM 0 HD1 PHE A 14 -3.189 -2.102 -0.326 1.00 1.16 H new ATOM 0 HD2 PHE A 14 -2.230 1.937 -1.293 1.00 1.22 H new ATOM 0 HE1 PHE A 14 -1.705 -2.881 -2.122 1.00 1.17 H new ATOM 0 HE2 PHE A 14 -0.729 1.153 -3.071 1.00 1.21 H new ATOM 0 HZ PHE A 14 -0.465 -1.255 -3.485 1.00 0.16 H new ATOM 232 N LYS A 15 -2.643 2.913 1.656 1.00 0.17 N ATOM 233 CA LYS A 15 -1.880 4.167 1.701 1.00 0.17 C ATOM 234 C LYS A 15 -1.020 4.276 2.974 1.00 0.14 C ATOM 235 O LYS A 15 0.157 4.628 2.903 1.00 0.14 O ATOM 236 CB LYS A 15 -2.846 5.363 1.625 1.00 0.25 C ATOM 237 CG LYS A 15 -3.960 5.205 0.587 1.00 0.64 C ATOM 238 CD LYS A 15 -3.580 5.781 -0.767 1.00 0.58 C ATOM 239 CE LYS A 15 -4.202 7.158 -1.003 1.00 0.82 C ATOM 240 NZ LYS A 15 -5.681 7.102 -1.136 1.00 0.93 N ATOM 0 H LYS A 15 -3.634 3.046 1.456 1.00 0.17 H new ATOM 0 HA LYS A 15 -1.205 4.174 0.845 1.00 0.17 H new ATOM 0 HB2 LYS A 15 -3.297 5.514 2.606 1.00 0.25 H new ATOM 0 HB3 LYS A 15 -2.275 6.263 1.395 1.00 0.25 H new ATOM 0 HG2 LYS A 15 -4.200 4.148 0.474 1.00 0.64 H new ATOM 0 HG3 LYS A 15 -4.862 5.699 0.948 1.00 0.64 H new ATOM 0 HD2 LYS A 15 -2.495 5.858 -0.836 1.00 0.58 H new ATOM 0 HD3 LYS A 15 -3.902 5.099 -1.554 1.00 0.58 H new ATOM 0 HE2 LYS A 15 -3.940 7.817 -0.176 1.00 0.82 H new ATOM 0 HE3 LYS A 15 -3.776 7.595 -1.906 1.00 0.82 H new ATOM 0 HZ1 LYS A 15 -6.036 8.024 -1.461 1.00 0.93 H new ATOM 0 HZ2 LYS A 15 -5.940 6.369 -1.827 1.00 0.93 H new ATOM 0 HZ3 LYS A 15 -6.104 6.874 -0.214 1.00 0.93 H new ATOM 254 N ALA A 16 -1.609 3.932 4.126 1.00 0.15 N ATOM 255 CA ALA A 16 -0.905 3.968 5.418 1.00 0.16 C ATOM 256 C ALA A 16 0.294 3.009 5.450 1.00 0.15 C ATOM 257 O ALA A 16 1.390 3.398 5.850 1.00 0.18 O ATOM 258 CB ALA A 16 -1.869 3.649 6.559 1.00 0.20 C ATOM 0 H ALA A 16 -2.579 3.623 4.191 1.00 0.15 H new ATOM 0 HA ALA A 16 -0.518 4.979 5.548 1.00 0.16 H new ATOM 0 HB1 ALA A 16 -1.333 3.680 7.508 1.00 0.20 H new ATOM 0 HB2 ALA A 16 -2.673 4.385 6.573 1.00 0.20 H new ATOM 0 HB3 ALA A 16 -2.290 2.654 6.412 1.00 0.20 H new ATOM 264 N LEU A 17 0.085 1.757 5.009 1.00 0.15 N ATOM 265 CA LEU A 17 1.156 0.741 4.969 1.00 0.17 C ATOM 266 C LEU A 17 2.384 1.247 4.202 1.00 0.15 C ATOM 267 O LEU A 17 3.521 1.085 4.651 1.00 0.19 O ATOM 268 CB LEU A 17 0.652 -0.552 4.301 1.00 0.21 C ATOM 269 CG LEU A 17 -0.432 -1.330 5.053 1.00 0.25 C ATOM 270 CD1 LEU A 17 -0.429 -2.786 4.634 1.00 0.27 C ATOM 271 CD2 LEU A 17 -0.262 -1.216 6.557 1.00 0.33 C ATOM 0 H LEU A 17 -0.818 1.421 4.674 1.00 0.15 H new ATOM 0 HA LEU A 17 1.443 0.538 6.001 1.00 0.17 H new ATOM 0 HB2 LEU A 17 0.267 -0.298 3.313 1.00 0.21 H new ATOM 0 HB3 LEU A 17 1.505 -1.214 4.151 1.00 0.21 H new ATOM 0 HG LEU A 17 -1.393 -0.888 4.792 1.00 0.25 H new ATOM 0 HD11 LEU A 17 -1.206 -3.323 5.179 1.00 0.27 H new ATOM 0 HD12 LEU A 17 -0.621 -2.857 3.563 1.00 0.27 H new ATOM 0 HD13 LEU A 17 0.542 -3.227 4.858 1.00 0.27 H new ATOM 0 HD21 LEU A 17 -1.049 -1.781 7.056 1.00 0.33 H new ATOM 0 HD22 LEU A 17 0.710 -1.617 6.845 1.00 0.33 H new ATOM 0 HD23 LEU A 17 -0.324 -0.168 6.852 1.00 0.33 H new ATOM 283 N LEU A 18 2.133 1.860 3.047 1.00 0.12 N ATOM 284 CA LEU A 18 3.200 2.402 2.201 1.00 0.12 C ATOM 285 C LEU A 18 3.869 3.619 2.846 1.00 0.13 C ATOM 286 O LEU A 18 5.092 3.671 2.970 1.00 0.15 O ATOM 287 CB LEU A 18 2.641 2.806 0.829 1.00 0.12 C ATOM 288 CG LEU A 18 1.913 1.703 0.051 1.00 0.13 C ATOM 289 CD1 LEU A 18 1.028 2.321 -1.020 1.00 0.22 C ATOM 290 CD2 LEU A 18 2.910 0.729 -0.564 1.00 0.15 C ATOM 0 H LEU A 18 1.194 1.995 2.672 1.00 0.12 H new ATOM 0 HA LEU A 18 3.947 1.617 2.081 1.00 0.12 H new ATOM 0 HB2 LEU A 18 1.953 3.639 0.970 1.00 0.12 H new ATOM 0 HB3 LEU A 18 3.465 3.173 0.216 1.00 0.12 H new ATOM 0 HG LEU A 18 1.283 1.143 0.742 1.00 0.13 H new ATOM 0 HD11 LEU A 18 0.514 1.531 -1.568 1.00 0.22 H new ATOM 0 HD12 LEU A 18 0.292 2.975 -0.551 1.00 0.22 H new ATOM 0 HD13 LEU A 18 1.642 2.901 -1.709 1.00 0.22 H new ATOM 0 HD21 LEU A 18 2.372 -0.045 -1.111 1.00 0.15 H new ATOM 0 HD22 LEU A 18 3.568 1.265 -1.247 1.00 0.15 H new ATOM 0 HD23 LEU A 18 3.504 0.269 0.226 1.00 0.15 H new ATOM 302 N LYS A 19 3.058 4.604 3.236 1.00 0.17 N ATOM 303 CA LYS A 19 3.561 5.856 3.820 1.00 0.21 C ATOM 304 C LYS A 19 4.335 5.642 5.137 1.00 0.24 C ATOM 305 O LYS A 19 5.163 6.476 5.512 1.00 0.32 O ATOM 306 CB LYS A 19 2.400 6.836 4.025 1.00 0.23 C ATOM 307 CG LYS A 19 1.770 7.303 2.707 1.00 0.25 C ATOM 308 CD LYS A 19 0.553 8.200 2.929 1.00 0.38 C ATOM 309 CE LYS A 19 0.871 9.674 2.691 1.00 0.80 C ATOM 310 NZ LYS A 19 2.050 10.134 3.473 1.00 1.39 N ATOM 0 H LYS A 19 2.042 4.561 3.158 1.00 0.17 H new ATOM 0 HA LYS A 19 4.277 6.276 3.113 1.00 0.21 H new ATOM 0 HB2 LYS A 19 1.635 6.361 4.639 1.00 0.23 H new ATOM 0 HB3 LYS A 19 2.758 7.704 4.578 1.00 0.23 H new ATOM 0 HG2 LYS A 19 2.515 7.844 2.123 1.00 0.25 H new ATOM 0 HG3 LYS A 19 1.475 6.433 2.120 1.00 0.25 H new ATOM 0 HD2 LYS A 19 -0.251 7.891 2.260 1.00 0.38 H new ATOM 0 HD3 LYS A 19 0.188 8.069 3.948 1.00 0.38 H new ATOM 0 HE2 LYS A 19 1.057 9.836 1.629 1.00 0.80 H new ATOM 0 HE3 LYS A 19 0.004 10.278 2.958 1.00 0.80 H new ATOM 0 HZ1 LYS A 19 2.086 11.173 3.468 1.00 1.39 H new ATOM 0 HZ2 LYS A 19 1.971 9.795 4.453 1.00 1.39 H new ATOM 0 HZ3 LYS A 19 2.919 9.756 3.045 1.00 1.39 H new ATOM 324 N GLU A 20 4.100 4.514 5.816 1.00 0.26 N ATOM 325 CA GLU A 20 4.829 4.187 7.049 1.00 0.30 C ATOM 326 C GLU A 20 6.250 3.662 6.747 1.00 0.27 C ATOM 327 O GLU A 20 7.075 3.571 7.655 1.00 0.30 O ATOM 328 CB GLU A 20 4.045 3.164 7.888 1.00 0.39 C ATOM 329 CG GLU A 20 2.907 3.779 8.704 1.00 0.48 C ATOM 330 CD GLU A 20 2.607 3.014 9.975 1.00 1.05 C ATOM 331 OE1 GLU A 20 1.875 2.010 9.904 1.00 1.76 O ATOM 332 OE2 GLU A 20 3.084 3.430 11.047 1.00 1.75 O ATOM 0 H GLU A 20 3.414 3.814 5.535 1.00 0.26 H new ATOM 0 HA GLU A 20 4.930 5.107 7.624 1.00 0.30 H new ATOM 0 HB2 GLU A 20 3.634 2.403 7.225 1.00 0.39 H new ATOM 0 HB3 GLU A 20 4.734 2.659 8.565 1.00 0.39 H new ATOM 0 HG2 GLU A 20 3.165 4.807 8.958 1.00 0.48 H new ATOM 0 HG3 GLU A 20 2.007 3.818 8.090 1.00 0.48 H new ATOM 339 N GLU A 21 6.522 3.326 5.472 1.00 0.24 N ATOM 340 CA GLU A 21 7.848 2.858 5.023 1.00 0.26 C ATOM 341 C GLU A 21 8.294 1.576 5.751 1.00 0.28 C ATOM 342 O GLU A 21 9.092 1.631 6.691 1.00 0.42 O ATOM 343 CB GLU A 21 8.898 3.978 5.189 1.00 0.28 C ATOM 344 CG GLU A 21 8.559 5.251 4.409 1.00 0.33 C ATOM 345 CD GLU A 21 9.351 6.462 4.862 1.00 0.44 C ATOM 346 OE1 GLU A 21 10.523 6.298 5.247 1.00 1.17 O ATOM 347 OE2 GLU A 21 8.798 7.581 4.830 1.00 1.19 O ATOM 0 H GLU A 21 5.830 3.371 4.724 1.00 0.24 H new ATOM 0 HA GLU A 21 7.763 2.607 3.966 1.00 0.26 H new ATOM 0 HB2 GLU A 21 8.992 4.223 6.247 1.00 0.28 H new ATOM 0 HB3 GLU A 21 9.869 3.607 4.860 1.00 0.28 H new ATOM 0 HG2 GLU A 21 8.746 5.080 3.349 1.00 0.33 H new ATOM 0 HG3 GLU A 21 7.495 5.461 4.515 1.00 0.33 H new ATOM 354 N LYS A 22 7.749 0.432 5.326 1.00 0.24 N ATOM 355 CA LYS A 22 8.069 -0.867 5.942 1.00 0.27 C ATOM 356 C LYS A 22 8.162 -1.984 4.895 1.00 0.33 C ATOM 357 O LYS A 22 9.096 -2.788 4.913 1.00 0.74 O ATOM 358 CB LYS A 22 7.002 -1.206 7.007 1.00 0.37 C ATOM 359 CG LYS A 22 6.856 -2.694 7.329 1.00 0.95 C ATOM 360 CD LYS A 22 6.041 -2.923 8.597 1.00 1.24 C ATOM 361 CE LYS A 22 6.233 -4.336 9.142 1.00 1.69 C ATOM 362 NZ LYS A 22 7.578 -4.529 9.741 1.00 2.44 N ATOM 0 H LYS A 22 7.082 0.375 4.556 1.00 0.24 H new ATOM 0 HA LYS A 22 9.047 -0.791 6.417 1.00 0.27 H new ATOM 0 HB2 LYS A 22 7.247 -0.674 7.926 1.00 0.37 H new ATOM 0 HB3 LYS A 22 6.038 -0.828 6.666 1.00 0.37 H new ATOM 0 HG2 LYS A 22 6.376 -3.201 6.492 1.00 0.95 H new ATOM 0 HG3 LYS A 22 7.844 -3.139 7.447 1.00 0.95 H new ATOM 0 HD2 LYS A 22 6.335 -2.197 9.355 1.00 1.24 H new ATOM 0 HD3 LYS A 22 4.985 -2.754 8.387 1.00 1.24 H new ATOM 0 HE2 LYS A 22 5.470 -4.540 9.893 1.00 1.69 H new ATOM 0 HE3 LYS A 22 6.089 -5.057 8.337 1.00 1.69 H new ATOM 0 HZ1 LYS A 22 7.581 -5.396 10.315 1.00 2.44 H new ATOM 0 HZ2 LYS A 22 8.286 -4.613 8.984 1.00 2.44 H new ATOM 0 HZ3 LYS A 22 7.810 -3.714 10.344 1.00 2.44 H new ATOM 376 N PHE A 23 7.149 -2.067 4.033 1.00 0.25 N ATOM 377 CA PHE A 23 7.052 -3.125 3.017 1.00 0.25 C ATOM 378 C PHE A 23 7.919 -2.826 1.801 1.00 0.23 C ATOM 379 O PHE A 23 7.857 -1.735 1.240 1.00 0.30 O ATOM 380 CB PHE A 23 5.597 -3.283 2.592 1.00 0.36 C ATOM 381 CG PHE A 23 4.686 -3.485 3.773 1.00 0.34 C ATOM 382 CD1 PHE A 23 4.589 -4.729 4.371 1.00 1.22 C ATOM 383 CD2 PHE A 23 4.026 -2.414 4.357 1.00 1.25 C ATOM 384 CE1 PHE A 23 3.801 -4.917 5.487 1.00 1.21 C ATOM 385 CE2 PHE A 23 3.236 -2.599 5.474 1.00 1.27 C ATOM 386 CZ PHE A 23 3.123 -3.851 6.040 1.00 0.35 C ATOM 0 H PHE A 23 6.372 -1.406 4.016 1.00 0.25 H new ATOM 0 HA PHE A 23 7.417 -4.053 3.458 1.00 0.25 H new ATOM 0 HB2 PHE A 23 5.283 -2.398 2.038 1.00 0.36 H new ATOM 0 HB3 PHE A 23 5.507 -4.132 1.915 1.00 0.36 H new ATOM 0 HD1 PHE A 23 5.137 -5.563 3.959 1.00 1.22 H new ATOM 0 HD2 PHE A 23 4.131 -1.426 3.934 1.00 1.25 H new ATOM 0 HE1 PHE A 23 3.715 -5.899 5.928 1.00 1.21 H new ATOM 0 HE2 PHE A 23 2.706 -1.762 5.905 1.00 1.27 H new ATOM 0 HZ PHE A 23 2.505 -3.997 6.914 1.00 0.35 H new ATOM 396 N SER A 24 8.686 -3.822 1.375 1.00 0.22 N ATOM 397 CA SER A 24 9.608 -3.675 0.247 1.00 0.27 C ATOM 398 C SER A 24 9.047 -4.270 -1.053 1.00 0.26 C ATOM 399 O SER A 24 9.453 -3.864 -2.147 1.00 0.44 O ATOM 400 CB SER A 24 10.969 -4.295 0.618 1.00 0.37 C ATOM 401 OG SER A 24 10.961 -5.712 0.511 1.00 1.04 O ATOM 0 H SER A 24 8.690 -4.751 1.796 1.00 0.22 H new ATOM 0 HA SER A 24 9.741 -2.611 0.050 1.00 0.27 H new ATOM 0 HB2 SER A 24 11.742 -3.888 -0.034 1.00 0.37 H new ATOM 0 HB3 SER A 24 11.230 -4.011 1.637 1.00 0.37 H new ATOM 0 HG SER A 24 10.109 -6.061 0.848 1.00 1.04 H new ATOM 407 N SER A 25 8.100 -5.205 -0.940 1.00 0.21 N ATOM 408 CA SER A 25 7.476 -5.825 -2.114 1.00 0.22 C ATOM 409 C SER A 25 5.956 -5.931 -1.936 1.00 0.20 C ATOM 410 O SER A 25 5.439 -5.815 -0.823 1.00 0.24 O ATOM 411 CB SER A 25 8.092 -7.210 -2.389 1.00 0.31 C ATOM 412 OG SER A 25 8.315 -7.943 -1.189 1.00 0.43 O ATOM 0 H SER A 25 7.748 -5.550 -0.047 1.00 0.21 H new ATOM 0 HA SER A 25 7.670 -5.187 -2.977 1.00 0.22 H new ATOM 0 HB2 SER A 25 7.430 -7.778 -3.043 1.00 0.31 H new ATOM 0 HB3 SER A 25 9.036 -7.088 -2.920 1.00 0.31 H new ATOM 0 HG SER A 25 8.705 -8.816 -1.406 1.00 0.43 H new ATOM 418 N GLN A 26 5.254 -6.147 -3.052 1.00 0.22 N ATOM 419 CA GLN A 26 3.792 -6.289 -3.066 1.00 0.23 C ATOM 420 C GLN A 26 3.334 -7.459 -2.184 1.00 0.27 C ATOM 421 O GLN A 26 2.573 -7.267 -1.237 1.00 0.44 O ATOM 422 CB GLN A 26 3.319 -6.501 -4.510 1.00 0.33 C ATOM 423 CG GLN A 26 3.891 -5.493 -5.512 1.00 0.48 C ATOM 424 CD GLN A 26 5.068 -6.022 -6.324 1.00 0.76 C ATOM 425 OE1 GLN A 26 5.629 -7.074 -6.019 1.00 1.53 O ATOM 426 NE2 GLN A 26 5.472 -5.272 -7.340 1.00 0.81 N ATOM 0 H GLN A 26 5.683 -6.229 -3.974 1.00 0.22 H new ATOM 0 HA GLN A 26 3.351 -5.378 -2.661 1.00 0.23 H new ATOM 0 HB2 GLN A 26 3.594 -7.507 -4.827 1.00 0.33 H new ATOM 0 HB3 GLN A 26 2.231 -6.445 -4.536 1.00 0.33 H new ATOM 0 HG2 GLN A 26 3.099 -5.188 -6.196 1.00 0.48 H new ATOM 0 HG3 GLN A 26 4.208 -4.600 -4.973 1.00 0.48 H new ATOM 0 HE21 GLN A 26 4.981 -4.406 -7.562 1.00 0.81 H new ATOM 0 HE22 GLN A 26 6.274 -5.561 -7.900 1.00 0.81 H new ATOM 435 N GLY A 27 3.881 -8.646 -2.461 1.00 0.23 N ATOM 436 CA GLY A 27 3.540 -9.875 -1.728 1.00 0.25 C ATOM 437 C GLY A 27 3.466 -9.729 -0.208 1.00 0.23 C ATOM 438 O GLY A 27 2.684 -10.422 0.446 1.00 0.30 O ATOM 0 H GLY A 27 4.572 -8.785 -3.198 1.00 0.23 H new ATOM 0 HA2 GLY A 27 2.578 -10.239 -2.089 1.00 0.25 H new ATOM 0 HA3 GLY A 27 4.280 -10.639 -1.968 1.00 0.25 H new ATOM 442 N GLU A 28 4.274 -8.827 0.353 1.00 0.22 N ATOM 443 CA GLU A 28 4.289 -8.586 1.797 1.00 0.25 C ATOM 444 C GLU A 28 3.060 -7.779 2.251 1.00 0.20 C ATOM 445 O GLU A 28 2.372 -8.173 3.198 1.00 0.24 O ATOM 446 CB GLU A 28 5.582 -7.853 2.191 1.00 0.34 C ATOM 447 CG GLU A 28 6.857 -8.553 1.720 1.00 0.96 C ATOM 448 CD GLU A 28 8.095 -7.698 1.899 1.00 1.05 C ATOM 449 OE1 GLU A 28 8.019 -6.484 1.642 1.00 1.62 O ATOM 450 OE2 GLU A 28 9.151 -8.243 2.272 1.00 1.59 O ATOM 0 H GLU A 28 4.929 -8.249 -0.174 1.00 0.22 H new ATOM 0 HA GLU A 28 4.252 -9.552 2.300 1.00 0.25 H new ATOM 0 HB2 GLU A 28 5.558 -6.845 1.776 1.00 0.34 H new ATOM 0 HB3 GLU A 28 5.614 -7.751 3.276 1.00 0.34 H new ATOM 0 HG2 GLU A 28 6.981 -9.484 2.273 1.00 0.96 H new ATOM 0 HG3 GLU A 28 6.753 -8.819 0.668 1.00 0.96 H new ATOM 457 N ILE A 29 2.779 -6.659 1.563 1.00 0.17 N ATOM 458 CA ILE A 29 1.621 -5.804 1.900 1.00 0.15 C ATOM 459 C ILE A 29 0.297 -6.522 1.580 1.00 0.14 C ATOM 460 O ILE A 29 -0.737 -6.234 2.194 1.00 0.16 O ATOM 461 CB ILE A 29 1.712 -4.382 1.240 1.00 0.16 C ATOM 462 CG1 ILE A 29 0.362 -3.846 0.737 1.00 0.15 C ATOM 463 CG2 ILE A 29 2.725 -4.342 0.105 1.00 0.23 C ATOM 464 CD1 ILE A 29 0.456 -2.427 0.201 1.00 0.16 C ATOM 0 H ILE A 29 3.332 -6.324 0.774 1.00 0.17 H new ATOM 0 HA ILE A 29 1.644 -5.629 2.976 1.00 0.15 H new ATOM 0 HB ILE A 29 2.046 -3.728 2.045 1.00 0.16 H new ATOM 0 HG12 ILE A 29 -0.015 -4.502 -0.048 1.00 0.15 H new ATOM 0 HG13 ILE A 29 -0.362 -3.875 1.552 1.00 0.15 H new ATOM 0 HG21 ILE A 29 2.754 -3.339 -0.322 1.00 0.23 H new ATOM 0 HG22 ILE A 29 3.712 -4.602 0.489 1.00 0.23 H new ATOM 0 HG23 ILE A 29 2.436 -5.056 -0.666 1.00 0.23 H new ATOM 0 HD11 ILE A 29 -0.527 -2.101 -0.140 1.00 0.16 H new ATOM 0 HD12 ILE A 29 0.805 -1.762 0.991 1.00 0.16 H new ATOM 0 HD13 ILE A 29 1.157 -2.399 -0.633 1.00 0.16 H new ATOM 476 N VAL A 30 0.368 -7.545 0.718 1.00 0.14 N ATOM 477 CA VAL A 30 -0.781 -8.402 0.418 1.00 0.16 C ATOM 478 C VAL A 30 -1.217 -9.165 1.680 1.00 0.17 C ATOM 479 O VAL A 30 -2.410 -9.322 1.943 1.00 0.24 O ATOM 480 CB VAL A 30 -0.444 -9.432 -0.705 1.00 0.18 C ATOM 481 CG1 VAL A 30 -1.611 -10.373 -0.960 1.00 0.29 C ATOM 482 CG2 VAL A 30 -0.050 -8.743 -2.004 1.00 0.23 C ATOM 0 H VAL A 30 1.218 -7.799 0.214 1.00 0.14 H new ATOM 0 HA VAL A 30 -1.590 -7.758 0.073 1.00 0.16 H new ATOM 0 HB VAL A 30 0.408 -10.012 -0.351 1.00 0.18 H new ATOM 0 HG11 VAL A 30 -1.345 -11.078 -1.747 1.00 0.29 H new ATOM 0 HG12 VAL A 30 -1.844 -10.920 -0.046 1.00 0.29 H new ATOM 0 HG13 VAL A 30 -2.483 -9.796 -1.269 1.00 0.29 H new ATOM 0 HG21 VAL A 30 0.177 -9.495 -2.760 1.00 0.23 H new ATOM 0 HG22 VAL A 30 -0.874 -8.118 -2.349 1.00 0.23 H new ATOM 0 HG23 VAL A 30 0.830 -8.122 -1.834 1.00 0.23 H new ATOM 492 N ALA A 31 -0.236 -9.625 2.464 1.00 0.17 N ATOM 493 CA ALA A 31 -0.510 -10.351 3.704 1.00 0.21 C ATOM 494 C ALA A 31 -0.920 -9.394 4.829 1.00 0.21 C ATOM 495 O ALA A 31 -1.841 -9.684 5.594 1.00 0.26 O ATOM 496 CB ALA A 31 0.709 -11.172 4.115 1.00 0.25 C ATOM 0 H ALA A 31 0.756 -9.506 2.259 1.00 0.17 H new ATOM 0 HA ALA A 31 -1.345 -11.028 3.523 1.00 0.21 H new ATOM 0 HB1 ALA A 31 0.492 -11.708 5.039 1.00 0.25 H new ATOM 0 HB2 ALA A 31 0.948 -11.888 3.328 1.00 0.25 H new ATOM 0 HB3 ALA A 31 1.559 -10.508 4.271 1.00 0.25 H new ATOM 502 N ALA A 32 -0.256 -8.233 4.896 1.00 0.18 N ATOM 503 CA ALA A 32 -0.531 -7.221 5.929 1.00 0.20 C ATOM 504 C ALA A 32 -2.011 -6.821 5.970 1.00 0.18 C ATOM 505 O ALA A 32 -2.640 -6.851 7.033 1.00 0.24 O ATOM 506 CB ALA A 32 0.343 -5.988 5.721 1.00 0.21 C ATOM 0 H ALA A 32 0.481 -7.968 4.243 1.00 0.18 H new ATOM 0 HA ALA A 32 -0.288 -7.673 6.890 1.00 0.20 H new ATOM 0 HB1 ALA A 32 0.124 -5.252 6.495 1.00 0.21 H new ATOM 0 HB2 ALA A 32 1.394 -6.273 5.778 1.00 0.21 H new ATOM 0 HB3 ALA A 32 0.137 -5.557 4.742 1.00 0.21 H new ATOM 512 N LEU A 33 -2.575 -6.480 4.804 1.00 0.15 N ATOM 513 CA LEU A 33 -3.991 -6.093 4.715 1.00 0.15 C ATOM 514 C LEU A 33 -4.926 -7.304 4.938 1.00 0.17 C ATOM 515 O LEU A 33 -6.061 -7.141 5.388 1.00 0.21 O ATOM 516 CB LEU A 33 -4.295 -5.389 3.377 1.00 0.21 C ATOM 517 CG LEU A 33 -3.469 -4.115 3.114 1.00 0.29 C ATOM 518 CD1 LEU A 33 -3.665 -3.612 1.686 1.00 0.47 C ATOM 519 CD2 LEU A 33 -3.843 -3.027 4.111 1.00 0.37 C ATOM 0 H LEU A 33 -2.077 -6.464 3.914 1.00 0.15 H new ATOM 0 HA LEU A 33 -4.186 -5.380 5.516 1.00 0.15 H new ATOM 0 HB2 LEU A 33 -4.119 -6.093 2.564 1.00 0.21 H new ATOM 0 HB3 LEU A 33 -5.354 -5.130 3.351 1.00 0.21 H new ATOM 0 HG LEU A 33 -2.416 -4.367 3.241 1.00 0.29 H new ATOM 0 HD11 LEU A 33 -3.069 -2.712 1.532 1.00 0.47 H new ATOM 0 HD12 LEU A 33 -3.348 -4.382 0.982 1.00 0.47 H new ATOM 0 HD13 LEU A 33 -4.718 -3.382 1.522 1.00 0.47 H new ATOM 0 HD21 LEU A 33 -3.252 -2.133 3.913 1.00 0.37 H new ATOM 0 HD22 LEU A 33 -4.902 -2.791 4.011 1.00 0.37 H new ATOM 0 HD23 LEU A 33 -3.643 -3.377 5.124 1.00 0.37 H new ATOM 531 N GLN A 34 -4.434 -8.529 4.706 1.00 0.20 N ATOM 532 CA GLN A 34 -5.245 -9.731 4.965 1.00 0.26 C ATOM 533 C GLN A 34 -5.454 -9.927 6.472 1.00 0.29 C ATOM 534 O GLN A 34 -6.553 -10.268 6.914 1.00 0.38 O ATOM 535 CB GLN A 34 -4.601 -10.988 4.354 1.00 0.29 C ATOM 536 CG GLN A 34 -4.891 -11.170 2.868 1.00 0.33 C ATOM 537 CD GLN A 34 -4.006 -12.224 2.221 1.00 0.58 C ATOM 538 OE1 GLN A 34 -3.370 -13.025 2.907 1.00 1.12 O ATOM 539 NE2 GLN A 34 -3.959 -12.231 0.897 1.00 0.58 N ATOM 0 H GLN A 34 -3.498 -8.714 4.347 1.00 0.20 H new ATOM 0 HA GLN A 34 -6.214 -9.581 4.489 1.00 0.26 H new ATOM 0 HB2 GLN A 34 -3.522 -10.939 4.500 1.00 0.29 H new ATOM 0 HB3 GLN A 34 -4.957 -11.866 4.894 1.00 0.29 H new ATOM 0 HG2 GLN A 34 -5.936 -11.450 2.738 1.00 0.33 H new ATOM 0 HG3 GLN A 34 -4.750 -10.219 2.355 1.00 0.33 H new ATOM 0 HE21 GLN A 34 -4.501 -11.551 0.364 1.00 0.58 H new ATOM 0 HE22 GLN A 34 -3.381 -12.917 0.411 1.00 0.58 H new ATOM 548 N GLU A 35 -4.397 -9.675 7.255 1.00 0.28 N ATOM 549 CA GLU A 35 -4.467 -9.760 8.720 1.00 0.34 C ATOM 550 C GLU A 35 -5.251 -8.576 9.311 1.00 0.34 C ATOM 551 O GLU A 35 -5.859 -8.698 10.375 1.00 0.45 O ATOM 552 CB GLU A 35 -3.054 -9.793 9.326 1.00 0.37 C ATOM 553 CG GLU A 35 -2.203 -10.972 8.864 1.00 0.65 C ATOM 554 CD GLU A 35 -0.815 -10.971 9.477 1.00 1.20 C ATOM 555 OE1 GLU A 35 -0.451 -9.973 10.133 1.00 1.78 O ATOM 556 OE2 GLU A 35 -0.083 -11.963 9.295 1.00 1.94 O ATOM 0 H GLU A 35 -3.480 -9.410 6.897 1.00 0.28 H new ATOM 0 HA GLU A 35 -4.990 -10.683 8.971 1.00 0.34 H new ATOM 0 HB2 GLU A 35 -2.540 -8.866 9.071 1.00 0.37 H new ATOM 0 HB3 GLU A 35 -3.137 -9.823 10.412 1.00 0.37 H new ATOM 0 HG2 GLU A 35 -2.709 -11.902 9.122 1.00 0.65 H new ATOM 0 HG3 GLU A 35 -2.116 -10.948 7.778 1.00 0.65 H new ATOM 563 N GLN A 36 -5.218 -7.428 8.618 1.00 0.26 N ATOM 564 CA GLN A 36 -5.931 -6.221 9.054 1.00 0.28 C ATOM 565 C GLN A 36 -7.448 -6.443 9.067 1.00 0.30 C ATOM 566 O GLN A 36 -8.090 -6.354 10.116 1.00 0.39 O ATOM 567 CB GLN A 36 -5.585 -5.040 8.134 1.00 0.26 C ATOM 568 CG GLN A 36 -4.177 -4.480 8.338 1.00 0.31 C ATOM 569 CD GLN A 36 -4.174 -3.024 8.772 1.00 0.49 C ATOM 570 OE1 GLN A 36 -4.758 -2.169 8.108 1.00 1.42 O ATOM 571 NE2 GLN A 36 -3.533 -2.740 9.891 1.00 0.65 N ATOM 0 H GLN A 36 -4.700 -7.312 7.747 1.00 0.26 H new ATOM 0 HA GLN A 36 -5.612 -5.994 10.071 1.00 0.28 H new ATOM 0 HB2 GLN A 36 -5.691 -5.358 7.097 1.00 0.26 H new ATOM 0 HB3 GLN A 36 -6.309 -4.242 8.298 1.00 0.26 H new ATOM 0 HG2 GLN A 36 -3.659 -5.078 9.088 1.00 0.31 H new ATOM 0 HG3 GLN A 36 -3.615 -4.578 7.409 1.00 0.31 H new ATOM 0 HE21 GLN A 36 -3.062 -3.480 10.411 1.00 0.65 H new ATOM 0 HE22 GLN A 36 -3.509 -1.780 10.236 1.00 0.65 H new ATOM 580 N GLY A 37 -8.012 -6.726 7.895 1.00 0.28 N ATOM 581 CA GLY A 37 -9.445 -6.959 7.790 1.00 0.33 C ATOM 582 C GLY A 37 -9.959 -6.876 6.365 1.00 0.34 C ATOM 583 O GLY A 37 -11.087 -6.436 6.139 1.00 0.46 O ATOM 0 H GLY A 37 -7.502 -6.798 7.014 1.00 0.28 H new ATOM 0 HA2 GLY A 37 -9.678 -7.943 8.197 1.00 0.33 H new ATOM 0 HA3 GLY A 37 -9.972 -6.228 8.403 1.00 0.33 H new ATOM 587 N PHE A 38 -9.144 -7.317 5.401 1.00 0.30 N ATOM 588 CA PHE A 38 -9.519 -7.264 3.982 1.00 0.34 C ATOM 589 C PHE A 38 -9.343 -8.631 3.317 1.00 0.45 C ATOM 590 O PHE A 38 -8.228 -9.146 3.222 1.00 0.83 O ATOM 591 CB PHE A 38 -8.669 -6.205 3.266 1.00 0.31 C ATOM 592 CG PHE A 38 -8.694 -4.868 3.956 1.00 0.26 C ATOM 593 CD1 PHE A 38 -9.763 -4.009 3.788 1.00 1.24 C ATOM 594 CD2 PHE A 38 -7.674 -4.496 4.820 1.00 1.19 C ATOM 595 CE1 PHE A 38 -9.799 -2.796 4.440 1.00 1.26 C ATOM 596 CE2 PHE A 38 -7.702 -3.282 5.469 1.00 1.19 C ATOM 597 CZ PHE A 38 -8.764 -2.430 5.277 1.00 0.29 C ATOM 0 H PHE A 38 -8.221 -7.714 5.576 1.00 0.30 H new ATOM 0 HA PHE A 38 -10.572 -6.991 3.908 1.00 0.34 H new ATOM 0 HB2 PHE A 38 -7.639 -6.556 3.202 1.00 0.31 H new ATOM 0 HB3 PHE A 38 -9.030 -6.087 2.244 1.00 0.31 H new ATOM 0 HD1 PHE A 38 -10.579 -4.291 3.139 1.00 1.24 H new ATOM 0 HD2 PHE A 38 -6.846 -5.169 4.986 1.00 1.19 H new ATOM 0 HE1 PHE A 38 -10.638 -2.131 4.296 1.00 1.26 H new ATOM 0 HE2 PHE A 38 -6.893 -3.000 6.126 1.00 1.19 H new ATOM 0 HZ PHE A 38 -8.788 -1.475 5.781 1.00 0.29 H new ATOM 607 N ASP A 39 -10.455 -9.213 2.854 1.00 0.46 N ATOM 608 CA ASP A 39 -10.441 -10.525 2.185 1.00 0.58 C ATOM 609 C ASP A 39 -10.338 -10.392 0.664 1.00 0.69 C ATOM 610 O ASP A 39 -10.112 -11.371 -0.045 1.00 1.55 O ATOM 611 CB ASP A 39 -11.695 -11.328 2.560 1.00 0.72 C ATOM 612 CG ASP A 39 -11.435 -12.817 2.656 1.00 1.53 C ATOM 613 OD1 ASP A 39 -10.698 -13.229 3.572 1.00 2.21 O ATOM 614 OD2 ASP A 39 -11.955 -13.571 1.812 1.00 2.24 O ATOM 0 H ASP A 39 -11.383 -8.796 2.930 1.00 0.46 H new ATOM 0 HA ASP A 39 -9.554 -11.056 2.530 1.00 0.58 H new ATOM 0 HB2 ASP A 39 -12.078 -10.969 3.515 1.00 0.72 H new ATOM 0 HB3 ASP A 39 -12.472 -11.147 1.817 1.00 0.72 H new ATOM 619 N ASN A 40 -10.513 -9.174 0.184 1.00 0.95 N ATOM 620 CA ASN A 40 -10.442 -8.864 -1.245 1.00 1.07 C ATOM 621 C ASN A 40 -9.059 -8.314 -1.592 1.00 0.91 C ATOM 622 O ASN A 40 -8.939 -7.204 -2.110 1.00 1.18 O ATOM 623 CB ASN A 40 -11.535 -7.846 -1.640 1.00 1.35 C ATOM 624 CG ASN A 40 -12.948 -8.418 -1.582 1.00 1.76 C ATOM 625 OD1 ASN A 40 -13.288 -9.184 -0.679 1.00 2.30 O ATOM 626 ND2 ASN A 40 -13.784 -8.036 -2.538 1.00 2.30 N ATOM 0 H ASN A 40 -10.710 -8.364 0.772 1.00 0.95 H new ATOM 0 HA ASN A 40 -10.612 -9.783 -1.807 1.00 1.07 H new ATOM 0 HB2 ASN A 40 -11.473 -6.983 -0.977 1.00 1.35 H new ATOM 0 HB3 ASN A 40 -11.338 -7.487 -2.650 1.00 1.35 H new ATOM 0 HD21 ASN A 40 -14.745 -8.378 -2.542 1.00 2.30 H new ATOM 0 HD22 ASN A 40 -13.466 -7.400 -3.269 1.00 2.30 H new ATOM 633 N ILE A 41 -8.013 -9.079 -1.265 1.00 0.58 N ATOM 634 CA ILE A 41 -6.630 -8.661 -1.516 1.00 0.44 C ATOM 635 C ILE A 41 -5.789 -9.823 -2.049 1.00 0.39 C ATOM 636 O ILE A 41 -5.881 -10.957 -1.563 1.00 0.62 O ATOM 637 CB ILE A 41 -5.986 -8.050 -0.233 1.00 0.40 C ATOM 638 CG1 ILE A 41 -6.196 -6.536 -0.219 1.00 0.60 C ATOM 639 CG2 ILE A 41 -4.496 -8.352 -0.107 1.00 0.39 C ATOM 640 CD1 ILE A 41 -5.156 -5.772 -1.016 1.00 1.68 C ATOM 0 H ILE A 41 -8.098 -9.995 -0.824 1.00 0.58 H new ATOM 0 HA ILE A 41 -6.653 -7.886 -2.282 1.00 0.44 H new ATOM 0 HB ILE A 41 -6.483 -8.517 0.618 1.00 0.40 H new ATOM 0 HG12 ILE A 41 -7.185 -6.311 -0.618 1.00 0.60 H new ATOM 0 HG13 ILE A 41 -6.181 -6.185 0.813 1.00 0.60 H new ATOM 0 HG21 ILE A 41 -4.109 -7.899 0.806 1.00 0.39 H new ATOM 0 HG22 ILE A 41 -4.345 -9.431 -0.069 1.00 0.39 H new ATOM 0 HG23 ILE A 41 -3.968 -7.942 -0.968 1.00 0.39 H new ATOM 0 HD11 ILE A 41 -5.368 -4.704 -0.961 1.00 1.68 H new ATOM 0 HD12 ILE A 41 -4.166 -5.967 -0.604 1.00 1.68 H new ATOM 0 HD13 ILE A 41 -5.186 -6.095 -2.057 1.00 1.68 H new ATOM 652 N ASN A 42 -4.957 -9.506 -3.038 1.00 0.33 N ATOM 653 CA ASN A 42 -4.064 -10.478 -3.679 1.00 0.31 C ATOM 654 C ASN A 42 -2.906 -9.749 -4.384 1.00 0.24 C ATOM 655 O ASN A 42 -2.865 -8.516 -4.410 1.00 0.25 O ATOM 656 CB ASN A 42 -4.842 -11.363 -4.679 1.00 0.40 C ATOM 657 CG ASN A 42 -5.622 -10.556 -5.716 1.00 0.48 C ATOM 658 OD1 ASN A 42 -5.039 -9.980 -6.627 1.00 0.66 O ATOM 659 ND2 ASN A 42 -6.938 -10.478 -5.560 1.00 0.91 N ATOM 0 H ASN A 42 -4.880 -8.564 -3.422 1.00 0.33 H new ATOM 0 HA ASN A 42 -3.649 -11.128 -2.908 1.00 0.31 H new ATOM 0 HB2 ASN A 42 -4.142 -12.022 -5.192 1.00 0.40 H new ATOM 0 HB3 ASN A 42 -5.534 -12.000 -4.128 1.00 0.40 H new ATOM 0 HD21 ASN A 42 -7.497 -9.925 -6.210 1.00 0.91 H new ATOM 0 HD22 ASN A 42 -7.390 -10.971 -4.790 1.00 0.91 H new ATOM 666 N GLN A 43 -1.984 -10.523 -4.972 1.00 0.24 N ATOM 667 CA GLN A 43 -0.795 -9.984 -5.665 1.00 0.26 C ATOM 668 C GLN A 43 -1.145 -8.915 -6.713 1.00 0.22 C ATOM 669 O GLN A 43 -0.535 -7.841 -6.739 1.00 0.24 O ATOM 670 CB GLN A 43 -0.014 -11.131 -6.335 1.00 0.37 C ATOM 671 CG GLN A 43 1.483 -10.863 -6.469 1.00 0.56 C ATOM 672 CD GLN A 43 2.258 -11.079 -5.177 1.00 0.88 C ATOM 673 OE1 GLN A 43 3.042 -10.227 -4.765 1.00 1.66 O ATOM 674 NE2 GLN A 43 2.054 -12.224 -4.541 1.00 1.43 N ATOM 0 H GLN A 43 -2.037 -11.542 -4.983 1.00 0.24 H new ATOM 0 HA GLN A 43 -0.180 -9.500 -4.907 1.00 0.26 H new ATOM 0 HB2 GLN A 43 -0.160 -12.043 -5.757 1.00 0.37 H new ATOM 0 HB3 GLN A 43 -0.431 -11.312 -7.326 1.00 0.37 H new ATOM 0 HG2 GLN A 43 1.892 -11.514 -7.242 1.00 0.56 H new ATOM 0 HG3 GLN A 43 1.631 -9.837 -6.805 1.00 0.56 H new ATOM 0 HE21 GLN A 43 1.394 -12.905 -4.916 1.00 1.43 H new ATOM 0 HE22 GLN A 43 2.557 -12.424 -3.676 1.00 1.43 H new ATOM 683 N SER A 44 -2.116 -9.219 -7.580 1.00 0.25 N ATOM 684 CA SER A 44 -2.539 -8.293 -8.644 1.00 0.29 C ATOM 685 C SER A 44 -3.154 -7.022 -8.064 1.00 0.28 C ATOM 686 O SER A 44 -2.717 -5.916 -8.374 1.00 0.34 O ATOM 687 CB SER A 44 -3.530 -8.972 -9.620 1.00 0.36 C ATOM 688 OG SER A 44 -4.002 -10.230 -9.141 1.00 0.83 O ATOM 0 H SER A 44 -2.627 -10.101 -7.568 1.00 0.25 H new ATOM 0 HA SER A 44 -1.645 -8.015 -9.202 1.00 0.29 H new ATOM 0 HB2 SER A 44 -4.380 -8.310 -9.787 1.00 0.36 H new ATOM 0 HB3 SER A 44 -3.043 -9.115 -10.584 1.00 0.36 H new ATOM 0 HG SER A 44 -4.468 -10.102 -8.288 1.00 0.83 H new ATOM 694 N LYS A 45 -4.130 -7.196 -7.181 1.00 0.27 N ATOM 695 CA LYS A 45 -4.819 -6.068 -6.527 1.00 0.30 C ATOM 696 C LYS A 45 -3.834 -5.128 -5.798 1.00 0.22 C ATOM 697 O LYS A 45 -4.022 -3.911 -5.787 1.00 0.26 O ATOM 698 CB LYS A 45 -5.880 -6.594 -5.545 1.00 0.39 C ATOM 699 CG LYS A 45 -7.051 -5.639 -5.327 1.00 0.64 C ATOM 700 CD LYS A 45 -8.368 -6.395 -5.160 1.00 1.44 C ATOM 701 CE LYS A 45 -9.428 -5.550 -4.455 1.00 1.92 C ATOM 702 NZ LYS A 45 -9.945 -4.452 -5.314 1.00 2.16 N ATOM 0 H LYS A 45 -4.471 -8.113 -6.893 1.00 0.27 H new ATOM 0 HA LYS A 45 -5.306 -5.484 -7.308 1.00 0.30 H new ATOM 0 HB2 LYS A 45 -6.264 -7.545 -5.915 1.00 0.39 H new ATOM 0 HB3 LYS A 45 -5.404 -6.795 -4.585 1.00 0.39 H new ATOM 0 HG2 LYS A 45 -6.865 -5.030 -4.442 1.00 0.64 H new ATOM 0 HG3 LYS A 45 -7.127 -4.956 -6.173 1.00 0.64 H new ATOM 0 HD2 LYS A 45 -8.739 -6.698 -6.139 1.00 1.44 H new ATOM 0 HD3 LYS A 45 -8.193 -7.307 -4.589 1.00 1.44 H new ATOM 0 HE2 LYS A 45 -10.256 -6.191 -4.152 1.00 1.92 H new ATOM 0 HE3 LYS A 45 -9.004 -5.126 -3.545 1.00 1.92 H new ATOM 0 HZ1 LYS A 45 -10.661 -3.909 -4.790 1.00 2.16 H new ATOM 0 HZ2 LYS A 45 -9.161 -3.823 -5.583 1.00 2.16 H new ATOM 0 HZ3 LYS A 45 -10.375 -4.855 -6.171 1.00 2.16 H new ATOM 716 N VAL A 46 -2.773 -5.700 -5.218 1.00 0.17 N ATOM 717 CA VAL A 46 -1.739 -4.919 -4.522 1.00 0.15 C ATOM 718 C VAL A 46 -0.840 -4.174 -5.524 1.00 0.15 C ATOM 719 O VAL A 46 -0.595 -2.977 -5.362 1.00 0.20 O ATOM 720 CB VAL A 46 -0.911 -5.822 -3.568 1.00 0.18 C ATOM 721 CG1 VAL A 46 0.413 -5.179 -3.165 1.00 0.23 C ATOM 722 CG2 VAL A 46 -1.735 -6.146 -2.323 1.00 0.22 C ATOM 0 H VAL A 46 -2.606 -6.706 -5.216 1.00 0.17 H new ATOM 0 HA VAL A 46 -2.236 -4.166 -3.911 1.00 0.15 H new ATOM 0 HB VAL A 46 -0.673 -6.739 -4.107 1.00 0.18 H new ATOM 0 HG11 VAL A 46 0.955 -5.849 -2.498 1.00 0.23 H new ATOM 0 HG12 VAL A 46 1.012 -4.991 -4.056 1.00 0.23 H new ATOM 0 HG13 VAL A 46 0.219 -4.237 -2.653 1.00 0.23 H new ATOM 0 HG21 VAL A 46 -1.151 -6.780 -1.655 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -1.996 -5.221 -1.809 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -2.646 -6.669 -2.615 1.00 0.22 H new ATOM 732 N SER A 47 -0.388 -4.858 -6.582 1.00 0.17 N ATOM 733 CA SER A 47 0.444 -4.225 -7.615 1.00 0.21 C ATOM 734 C SER A 47 -0.355 -3.168 -8.397 1.00 0.22 C ATOM 735 O SER A 47 0.197 -2.145 -8.812 1.00 0.24 O ATOM 736 CB SER A 47 1.031 -5.282 -8.567 1.00 0.29 C ATOM 737 OG SER A 47 0.074 -6.267 -8.919 1.00 1.26 O ATOM 0 H SER A 47 -0.583 -5.846 -6.746 1.00 0.17 H new ATOM 0 HA SER A 47 1.271 -3.719 -7.117 1.00 0.21 H new ATOM 0 HB2 SER A 47 1.398 -4.794 -9.470 1.00 0.29 H new ATOM 0 HB3 SER A 47 1.888 -5.761 -8.093 1.00 0.29 H new ATOM 0 HG SER A 47 -0.025 -6.905 -8.182 1.00 1.26 H new ATOM 743 N ARG A 48 -1.671 -3.391 -8.542 1.00 0.23 N ATOM 744 CA ARG A 48 -2.556 -2.436 -9.219 1.00 0.26 C ATOM 745 C ARG A 48 -2.673 -1.141 -8.409 1.00 0.20 C ATOM 746 O ARG A 48 -2.467 -0.054 -8.945 1.00 0.22 O ATOM 747 CB ARG A 48 -3.953 -3.038 -9.448 1.00 0.32 C ATOM 748 CG ARG A 48 -4.016 -4.024 -10.615 1.00 0.41 C ATOM 749 CD ARG A 48 -5.383 -4.035 -11.303 1.00 1.03 C ATOM 750 NE ARG A 48 -6.512 -4.013 -10.355 1.00 1.58 N ATOM 751 CZ ARG A 48 -7.251 -2.929 -10.085 1.00 2.32 C ATOM 752 NH1 ARG A 48 -6.970 -1.766 -10.656 1.00 2.75 N ATOM 753 NH2 ARG A 48 -8.253 -3.006 -9.222 1.00 3.20 N ATOM 0 H ARG A 48 -2.144 -4.227 -8.198 1.00 0.23 H new ATOM 0 HA ARG A 48 -2.116 -2.209 -10.190 1.00 0.26 H new ATOM 0 HB2 ARG A 48 -4.273 -3.545 -8.538 1.00 0.32 H new ATOM 0 HB3 ARG A 48 -4.662 -2.230 -9.629 1.00 0.32 H new ATOM 0 HG2 ARG A 48 -3.248 -3.767 -11.345 1.00 0.41 H new ATOM 0 HG3 ARG A 48 -3.788 -5.026 -10.252 1.00 0.41 H new ATOM 0 HD2 ARG A 48 -5.456 -3.172 -11.965 1.00 1.03 H new ATOM 0 HD3 ARG A 48 -5.460 -4.924 -11.929 1.00 1.03 H new ATOM 0 HE ARG A 48 -6.746 -4.881 -9.873 1.00 1.58 H new ATOM 0 HH11 ARG A 48 -6.187 -1.693 -11.305 1.00 2.75 H new ATOM 0 HH12 ARG A 48 -7.537 -0.945 -10.446 1.00 2.75 H new ATOM 0 HH21 ARG A 48 -8.463 -3.892 -8.762 1.00 3.20 H new ATOM 0 HH22 ARG A 48 -8.815 -2.179 -9.018 1.00 3.20 H new ATOM 767 N MET A 49 -2.949 -1.272 -7.106 1.00 0.17 N ATOM 768 CA MET A 49 -3.045 -0.114 -6.207 1.00 0.16 C ATOM 769 C MET A 49 -1.710 0.639 -6.123 1.00 0.13 C ATOM 770 O MET A 49 -1.693 1.868 -6.106 1.00 0.14 O ATOM 771 CB MET A 49 -3.500 -0.554 -4.820 1.00 0.18 C ATOM 772 CG MET A 49 -5.000 -0.795 -4.713 1.00 0.27 C ATOM 773 SD MET A 49 -5.902 -0.617 -6.269 1.00 1.49 S ATOM 774 CE MET A 49 -7.320 0.340 -5.738 1.00 2.00 C ATOM 0 H MET A 49 -3.110 -2.170 -6.649 1.00 0.17 H new ATOM 0 HA MET A 49 -3.788 0.570 -6.618 1.00 0.16 H new ATOM 0 HB2 MET A 49 -2.974 -1.469 -4.549 1.00 0.18 H new ATOM 0 HB3 MET A 49 -3.211 0.207 -4.095 1.00 0.18 H new ATOM 0 HG2 MET A 49 -5.167 -1.800 -4.324 1.00 0.27 H new ATOM 0 HG3 MET A 49 -5.416 -0.098 -3.985 1.00 0.27 H new ATOM 0 HE1 MET A 49 -7.971 0.530 -6.591 1.00 2.00 H new ATOM 0 HE2 MET A 49 -7.870 -0.215 -4.978 1.00 2.00 H new ATOM 0 HE3 MET A 49 -6.983 1.289 -5.321 1.00 2.00 H new ATOM 784 N LEU A 50 -0.595 -0.105 -6.121 1.00 0.13 N ATOM 785 CA LEU A 50 0.746 0.498 -6.107 1.00 0.14 C ATOM 786 C LEU A 50 0.979 1.359 -7.360 1.00 0.17 C ATOM 787 O LEU A 50 1.569 2.437 -7.283 1.00 0.21 O ATOM 788 CB LEU A 50 1.837 -0.585 -5.997 1.00 0.18 C ATOM 789 CG LEU A 50 2.211 -1.003 -4.568 1.00 0.19 C ATOM 790 CD1 LEU A 50 2.642 -2.460 -4.526 1.00 0.33 C ATOM 791 CD2 LEU A 50 3.308 -0.112 -4.001 1.00 0.32 C ATOM 0 H LEU A 50 -0.595 -1.125 -6.129 1.00 0.13 H new ATOM 0 HA LEU A 50 0.807 1.142 -5.230 1.00 0.14 H new ATOM 0 HB2 LEU A 50 1.503 -1.469 -6.540 1.00 0.18 H new ATOM 0 HB3 LEU A 50 2.735 -0.224 -6.498 1.00 0.18 H new ATOM 0 HG LEU A 50 1.323 -0.885 -3.948 1.00 0.19 H new ATOM 0 HD11 LEU A 50 2.902 -2.733 -3.503 1.00 0.33 H new ATOM 0 HD12 LEU A 50 1.824 -3.091 -4.873 1.00 0.33 H new ATOM 0 HD13 LEU A 50 3.509 -2.602 -5.171 1.00 0.33 H new ATOM 0 HD21 LEU A 50 3.551 -0.433 -2.988 1.00 0.32 H new ATOM 0 HD22 LEU A 50 4.197 -0.186 -4.628 1.00 0.32 H new ATOM 0 HD23 LEU A 50 2.963 0.922 -3.981 1.00 0.32 H new ATOM 803 N THR A 51 0.494 0.879 -8.508 1.00 0.19 N ATOM 804 CA THR A 51 0.607 1.607 -9.774 1.00 0.23 C ATOM 805 C THR A 51 -0.410 2.768 -9.833 1.00 0.24 C ATOM 806 O THR A 51 -0.058 3.888 -10.196 1.00 0.32 O ATOM 807 CB THR A 51 0.390 0.651 -10.965 1.00 0.28 C ATOM 808 OG1 THR A 51 1.106 -0.568 -10.789 1.00 0.35 O ATOM 809 CG2 THR A 51 0.819 1.235 -12.294 1.00 0.34 C ATOM 0 H THR A 51 0.015 -0.018 -8.586 1.00 0.19 H new ATOM 0 HA THR A 51 1.612 2.026 -9.836 1.00 0.23 H new ATOM 0 HB THR A 51 -0.686 0.477 -10.986 1.00 0.28 H new ATOM 0 HG1 THR A 51 0.582 -1.177 -10.228 1.00 0.35 H new ATOM 0 HG21 THR A 51 0.638 0.508 -13.086 1.00 0.34 H new ATOM 0 HG22 THR A 51 0.247 2.141 -12.495 1.00 0.34 H new ATOM 0 HG23 THR A 51 1.881 1.477 -12.259 1.00 0.34 H new ATOM 817 N LYS A 52 -1.662 2.484 -9.436 1.00 0.20 N ATOM 818 CA LYS A 52 -2.753 3.479 -9.419 1.00 0.22 C ATOM 819 C LYS A 52 -2.408 4.686 -8.539 1.00 0.24 C ATOM 820 O LYS A 52 -2.542 5.836 -8.962 1.00 0.32 O ATOM 821 CB LYS A 52 -4.046 2.807 -8.915 1.00 0.22 C ATOM 822 CG LYS A 52 -5.282 3.713 -8.891 1.00 0.32 C ATOM 823 CD LYS A 52 -5.963 3.703 -7.526 1.00 0.46 C ATOM 824 CE LYS A 52 -7.311 4.418 -7.555 1.00 0.74 C ATOM 825 NZ LYS A 52 -7.165 5.883 -7.759 1.00 1.23 N ATOM 0 H LYS A 52 -1.948 1.558 -9.117 1.00 0.20 H new ATOM 0 HA LYS A 52 -2.896 3.847 -10.435 1.00 0.22 H new ATOM 0 HB2 LYS A 52 -4.259 1.945 -9.547 1.00 0.22 H new ATOM 0 HB3 LYS A 52 -3.872 2.429 -7.908 1.00 0.22 H new ATOM 0 HG2 LYS A 52 -4.991 4.732 -9.145 1.00 0.32 H new ATOM 0 HG3 LYS A 52 -5.989 3.384 -9.653 1.00 0.32 H new ATOM 0 HD2 LYS A 52 -6.106 2.673 -7.200 1.00 0.46 H new ATOM 0 HD3 LYS A 52 -5.314 4.182 -6.793 1.00 0.46 H new ATOM 0 HE2 LYS A 52 -7.924 4.001 -8.354 1.00 0.74 H new ATOM 0 HE3 LYS A 52 -7.838 4.234 -6.619 1.00 0.74 H new ATOM 0 HZ1 LYS A 52 -8.105 6.327 -7.772 1.00 1.23 H new ATOM 0 HZ2 LYS A 52 -6.602 6.287 -6.984 1.00 1.23 H new ATOM 0 HZ3 LYS A 52 -6.686 6.061 -8.664 1.00 1.23 H new ATOM 839 N PHE A 53 -1.966 4.411 -7.309 1.00 0.23 N ATOM 840 CA PHE A 53 -1.585 5.465 -6.357 1.00 0.27 C ATOM 841 C PHE A 53 -0.195 6.053 -6.672 1.00 0.31 C ATOM 842 O PHE A 53 0.223 7.027 -6.046 1.00 0.49 O ATOM 843 CB PHE A 53 -1.619 4.915 -4.919 1.00 0.25 C ATOM 844 CG PHE A 53 -3.012 4.591 -4.420 1.00 0.27 C ATOM 845 CD1 PHE A 53 -4.023 5.545 -4.469 1.00 1.24 C ATOM 846 CD2 PHE A 53 -3.308 3.342 -3.887 1.00 1.13 C ATOM 847 CE1 PHE A 53 -5.295 5.256 -4.013 1.00 1.27 C ATOM 848 CE2 PHE A 53 -4.578 3.050 -3.430 1.00 1.13 C ATOM 849 CZ PHE A 53 -5.573 4.007 -3.493 1.00 0.37 C ATOM 0 H PHE A 53 -1.862 3.464 -6.945 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.309 6.274 -6.453 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -1.007 4.014 -4.870 1.00 0.25 H new ATOM 0 HB3 PHE A 53 -1.164 5.646 -4.250 1.00 0.25 H new ATOM 0 HD1 PHE A 53 -3.811 6.525 -4.869 1.00 1.24 H new ATOM 0 HD2 PHE A 53 -2.535 2.590 -3.829 1.00 1.13 H new ATOM 0 HE1 PHE A 53 -6.071 6.006 -4.063 1.00 1.27 H new ATOM 0 HE2 PHE A 53 -4.794 2.073 -3.023 1.00 1.13 H new ATOM 0 HZ PHE A 53 -6.566 3.779 -3.136 1.00 0.37 H new ATOM 859 N GLY A 54 0.508 5.464 -7.650 1.00 0.27 N ATOM 860 CA GLY A 54 1.834 5.943 -8.041 1.00 0.32 C ATOM 861 C GLY A 54 2.851 5.845 -6.919 1.00 0.28 C ATOM 862 O GLY A 54 3.407 6.855 -6.482 1.00 0.32 O ATOM 0 H GLY A 54 0.178 4.658 -8.181 1.00 0.27 H new ATOM 0 HA2 GLY A 54 2.186 5.365 -8.896 1.00 0.32 H new ATOM 0 HA3 GLY A 54 1.759 6.980 -8.367 1.00 0.32 H new ATOM 866 N ALA A 55 3.055 4.627 -6.420 1.00 0.25 N ATOM 867 CA ALA A 55 3.986 4.382 -5.321 1.00 0.24 C ATOM 868 C ALA A 55 5.438 4.396 -5.801 1.00 0.25 C ATOM 869 O ALA A 55 5.748 3.922 -6.899 1.00 0.43 O ATOM 870 CB ALA A 55 3.672 3.055 -4.639 1.00 0.30 C ATOM 0 H ALA A 55 2.584 3.790 -6.763 1.00 0.25 H new ATOM 0 HA ALA A 55 3.862 5.190 -4.600 1.00 0.24 H new ATOM 0 HB1 ALA A 55 4.376 2.890 -3.823 1.00 0.30 H new ATOM 0 HB2 ALA A 55 2.657 3.081 -4.243 1.00 0.30 H new ATOM 0 HB3 ALA A 55 3.759 2.245 -5.363 1.00 0.30 H new ATOM 876 N VAL A 56 6.311 4.948 -4.964 1.00 0.22 N ATOM 877 CA VAL A 56 7.749 5.024 -5.236 1.00 0.26 C ATOM 878 C VAL A 56 8.527 4.236 -4.174 1.00 0.26 C ATOM 879 O VAL A 56 7.956 3.815 -3.168 1.00 0.39 O ATOM 880 CB VAL A 56 8.237 6.501 -5.273 1.00 0.34 C ATOM 881 CG1 VAL A 56 7.661 7.216 -6.489 1.00 0.55 C ATOM 882 CG2 VAL A 56 7.869 7.253 -3.991 1.00 0.44 C ATOM 0 H VAL A 56 6.042 5.359 -4.070 1.00 0.22 H new ATOM 0 HA VAL A 56 7.933 4.584 -6.216 1.00 0.26 H new ATOM 0 HB VAL A 56 9.324 6.488 -5.347 1.00 0.34 H new ATOM 0 HG11 VAL A 56 8.010 8.249 -6.503 1.00 0.55 H new ATOM 0 HG12 VAL A 56 7.988 6.710 -7.397 1.00 0.55 H new ATOM 0 HG13 VAL A 56 6.572 7.202 -6.438 1.00 0.55 H new ATOM 0 HG21 VAL A 56 8.227 8.280 -4.056 1.00 0.44 H new ATOM 0 HG22 VAL A 56 6.786 7.253 -3.868 1.00 0.44 H new ATOM 0 HG23 VAL A 56 8.331 6.761 -3.135 1.00 0.44 H new ATOM 892 N ARG A 57 9.819 4.001 -4.413 1.00 0.39 N ATOM 893 CA ARG A 57 10.658 3.251 -3.464 1.00 0.41 C ATOM 894 C ARG A 57 11.741 4.153 -2.863 1.00 0.46 C ATOM 895 O ARG A 57 12.272 5.039 -3.542 1.00 0.58 O ATOM 896 CB ARG A 57 11.299 2.025 -4.136 1.00 0.48 C ATOM 897 CG ARG A 57 10.436 1.381 -5.214 1.00 0.65 C ATOM 898 CD ARG A 57 10.768 -0.092 -5.395 1.00 0.87 C ATOM 899 NE ARG A 57 12.211 -0.316 -5.443 1.00 0.83 N ATOM 900 CZ ARG A 57 12.805 -1.496 -5.267 1.00 1.10 C ATOM 901 NH1 ARG A 57 12.089 -2.590 -5.028 1.00 1.87 N ATOM 902 NH2 ARG A 57 14.117 -1.563 -5.334 1.00 1.34 N ATOM 0 H ARG A 57 10.309 4.316 -5.250 1.00 0.39 H new ATOM 0 HA ARG A 57 10.012 2.900 -2.660 1.00 0.41 H new ATOM 0 HB2 ARG A 57 12.250 2.323 -4.577 1.00 0.48 H new ATOM 0 HB3 ARG A 57 11.521 1.281 -3.372 1.00 0.48 H new ATOM 0 HG2 ARG A 57 9.384 1.487 -4.949 1.00 0.65 H new ATOM 0 HG3 ARG A 57 10.582 1.906 -6.158 1.00 0.65 H new ATOM 0 HD2 ARG A 57 10.337 -0.666 -4.575 1.00 0.87 H new ATOM 0 HD3 ARG A 57 10.312 -0.458 -6.315 1.00 0.87 H new ATOM 0 HE ARG A 57 12.808 0.491 -5.625 1.00 0.83 H new ATOM 0 HH11 ARG A 57 11.072 -2.533 -4.977 1.00 1.87 H new ATOM 0 HH12 ARG A 57 12.557 -3.487 -4.895 1.00 1.87 H new ATOM 0 HH21 ARG A 57 14.662 -0.721 -5.518 1.00 1.34 H new ATOM 0 HH22 ARG A 57 14.589 -2.457 -5.202 1.00 1.34 H new ATOM 916 N THR A 58 12.073 3.918 -1.591 1.00 0.44 N ATOM 917 CA THR A 58 13.098 4.713 -0.901 1.00 0.54 C ATOM 918 C THR A 58 13.738 3.910 0.237 1.00 0.50 C ATOM 919 O THR A 58 13.102 3.039 0.835 1.00 0.44 O ATOM 920 CB THR A 58 12.490 6.043 -0.385 1.00 0.69 C ATOM 921 OG1 THR A 58 13.450 7.091 -0.439 1.00 1.32 O ATOM 922 CG2 THR A 58 11.934 5.989 1.033 1.00 1.17 C ATOM 0 H THR A 58 11.650 3.188 -1.018 1.00 0.44 H new ATOM 0 HA THR A 58 13.887 4.956 -1.612 1.00 0.54 H new ATOM 0 HB THR A 58 11.650 6.230 -1.054 1.00 0.69 H new ATOM 0 HG1 THR A 58 13.046 7.922 -0.111 1.00 1.32 H new ATOM 0 HG21 THR A 58 11.531 6.965 1.303 1.00 1.17 H new ATOM 0 HG22 THR A 58 11.141 5.243 1.085 1.00 1.17 H new ATOM 0 HG23 THR A 58 12.731 5.720 1.726 1.00 1.17 H new ATOM 930 N ARG A 59 15.006 4.210 0.529 1.00 0.59 N ATOM 931 CA ARG A 59 15.748 3.519 1.588 1.00 0.63 C ATOM 932 C ARG A 59 15.347 4.036 2.975 1.00 0.69 C ATOM 933 O ARG A 59 15.179 5.244 3.179 1.00 0.83 O ATOM 934 CB ARG A 59 17.273 3.641 1.341 1.00 0.78 C ATOM 935 CG ARG A 59 18.086 4.313 2.451 1.00 1.38 C ATOM 936 CD ARG A 59 19.550 3.894 2.415 1.00 1.32 C ATOM 937 NE ARG A 59 20.024 3.571 1.062 1.00 1.45 N ATOM 938 CZ ARG A 59 20.249 4.477 0.103 1.00 1.72 C ATOM 939 NH1 ARG A 59 20.030 5.762 0.341 1.00 2.35 N ATOM 940 NH2 ARG A 59 20.685 4.085 -1.090 1.00 2.08 N ATOM 0 H ARG A 59 15.543 4.930 0.045 1.00 0.59 H new ATOM 0 HA ARG A 59 15.490 2.460 1.561 1.00 0.63 H new ATOM 0 HB2 ARG A 59 17.675 2.641 1.180 1.00 0.78 H new ATOM 0 HB3 ARG A 59 17.427 4.199 0.418 1.00 0.78 H new ATOM 0 HG2 ARG A 59 18.016 5.396 2.348 1.00 1.38 H new ATOM 0 HG3 ARG A 59 17.659 4.057 3.420 1.00 1.38 H new ATOM 0 HD2 ARG A 59 20.162 4.697 2.826 1.00 1.32 H new ATOM 0 HD3 ARG A 59 19.689 3.026 3.059 1.00 1.32 H new ATOM 0 HE ARG A 59 20.193 2.590 0.839 1.00 1.45 H new ATOM 0 HH11 ARG A 59 19.690 6.061 1.255 1.00 2.35 H new ATOM 0 HH12 ARG A 59 20.202 6.452 -0.390 1.00 2.35 H new ATOM 0 HH21 ARG A 59 20.848 3.095 -1.274 1.00 2.08 H new ATOM 0 HH22 ARG A 59 20.857 4.774 -1.822 1.00 2.08 H new ATOM 954 N ASN A 60 15.231 3.107 3.925 1.00 0.68 N ATOM 955 CA ASN A 60 14.914 3.429 5.325 1.00 0.81 C ATOM 956 C ASN A 60 16.199 3.448 6.172 1.00 0.95 C ATOM 957 O ASN A 60 17.307 3.271 5.650 1.00 1.04 O ATOM 958 CB ASN A 60 13.890 2.417 5.895 1.00 0.82 C ATOM 959 CG ASN A 60 14.392 0.974 5.936 1.00 0.78 C ATOM 960 OD1 ASN A 60 15.527 0.681 5.560 1.00 1.00 O ATOM 961 ND2 ASN A 60 13.551 0.066 6.408 1.00 0.83 N ATOM 0 H ASN A 60 15.353 2.110 3.750 1.00 0.68 H new ATOM 0 HA ASN A 60 14.465 4.422 5.363 1.00 0.81 H new ATOM 0 HB2 ASN A 60 13.616 2.724 6.905 1.00 0.82 H new ATOM 0 HB3 ASN A 60 12.982 2.457 5.293 1.00 0.82 H new ATOM 0 HD21 ASN A 60 13.837 -0.911 6.469 1.00 0.83 H new ATOM 0 HD22 ASN A 60 12.618 0.344 6.711 1.00 0.83 H new ATOM 968 N ALA A 61 16.042 3.562 7.494 1.00 1.04 N ATOM 969 CA ALA A 61 17.184 3.571 8.421 1.00 1.20 C ATOM 970 C ALA A 61 17.890 2.200 8.512 1.00 1.20 C ATOM 971 O ALA A 61 18.816 2.030 9.309 1.00 1.38 O ATOM 972 CB ALA A 61 16.725 4.031 9.805 1.00 1.32 C ATOM 0 H ALA A 61 15.134 3.650 7.950 1.00 1.04 H new ATOM 0 HA ALA A 61 17.918 4.273 8.026 1.00 1.20 H new ATOM 0 HB1 ALA A 61 17.575 4.036 10.487 1.00 1.32 H new ATOM 0 HB2 ALA A 61 16.310 5.037 9.735 1.00 1.32 H new ATOM 0 HB3 ALA A 61 15.962 3.349 10.181 1.00 1.32 H new ATOM 978 N LYS A 62 17.452 1.232 7.693 1.00 1.07 N ATOM 979 CA LYS A 62 18.036 -0.115 7.678 1.00 1.12 C ATOM 980 C LYS A 62 18.534 -0.520 6.285 1.00 1.01 C ATOM 981 O LYS A 62 18.745 -1.710 6.026 1.00 1.02 O ATOM 982 CB LYS A 62 17.011 -1.144 8.152 1.00 1.21 C ATOM 983 CG LYS A 62 16.529 -0.933 9.585 1.00 1.40 C ATOM 984 CD LYS A 62 15.289 -0.036 9.651 1.00 2.00 C ATOM 985 CE LYS A 62 14.060 -0.777 10.178 1.00 2.34 C ATOM 986 NZ LYS A 62 13.803 -2.060 9.466 1.00 2.62 N ATOM 0 H LYS A 62 16.689 1.360 7.028 1.00 1.07 H new ATOM 0 HA LYS A 62 18.891 -0.092 8.354 1.00 1.12 H new ATOM 0 HB2 LYS A 62 16.150 -1.118 7.484 1.00 1.21 H new ATOM 0 HB3 LYS A 62 17.448 -2.139 8.070 1.00 1.21 H new ATOM 0 HG2 LYS A 62 16.301 -1.899 10.036 1.00 1.40 H new ATOM 0 HG3 LYS A 62 17.330 -0.487 10.174 1.00 1.40 H new ATOM 0 HD2 LYS A 62 15.497 0.820 10.293 1.00 2.00 H new ATOM 0 HD3 LYS A 62 15.075 0.356 8.657 1.00 2.00 H new ATOM 0 HE2 LYS A 62 14.192 -0.978 11.241 1.00 2.34 H new ATOM 0 HE3 LYS A 62 13.186 -0.133 10.082 1.00 2.34 H new ATOM 0 HZ1 LYS A 62 12.797 -2.310 9.554 1.00 2.62 H new ATOM 0 HZ2 LYS A 62 14.047 -1.954 8.461 1.00 2.62 H new ATOM 0 HZ3 LYS A 62 14.385 -2.813 9.886 1.00 2.62 H new ATOM 1000 N MET A 63 18.720 0.454 5.391 1.00 0.97 N ATOM 1001 CA MET A 63 19.234 0.189 4.033 1.00 0.94 C ATOM 1002 C MET A 63 18.210 -0.531 3.132 1.00 0.80 C ATOM 1003 O MET A 63 18.519 -0.856 1.982 1.00 0.86 O ATOM 1004 CB MET A 63 20.541 -0.630 4.093 1.00 1.12 C ATOM 1005 CG MET A 63 21.403 -0.345 5.314 1.00 1.30 C ATOM 1006 SD MET A 63 23.149 -0.666 5.017 1.00 2.18 S ATOM 1007 CE MET A 63 23.356 -2.248 5.831 1.00 3.12 C ATOM 0 H MET A 63 18.524 1.437 5.578 1.00 0.97 H new ATOM 0 HA MET A 63 19.431 1.164 3.586 1.00 0.94 H new ATOM 0 HB2 MET A 63 20.292 -1.691 4.078 1.00 1.12 H new ATOM 0 HB3 MET A 63 21.125 -0.427 3.195 1.00 1.12 H new ATOM 0 HG2 MET A 63 21.274 0.696 5.611 1.00 1.30 H new ATOM 0 HG3 MET A 63 21.061 -0.959 6.147 1.00 1.30 H new ATOM 0 HE1 MET A 63 24.391 -2.576 5.731 1.00 3.12 H new ATOM 0 HE2 MET A 63 23.107 -2.149 6.888 1.00 3.12 H new ATOM 0 HE3 MET A 63 22.696 -2.983 5.371 1.00 3.12 H new ATOM 1017 N GLU A 64 17.011 -0.796 3.656 1.00 0.73 N ATOM 1018 CA GLU A 64 15.960 -1.482 2.900 1.00 0.64 C ATOM 1019 C GLU A 64 15.237 -0.507 1.965 1.00 0.52 C ATOM 1020 O GLU A 64 14.588 0.435 2.425 1.00 0.49 O ATOM 1021 CB GLU A 64 14.938 -2.133 3.856 1.00 0.70 C ATOM 1022 CG GLU A 64 15.559 -2.926 5.003 1.00 0.88 C ATOM 1023 CD GLU A 64 14.524 -3.458 5.974 1.00 1.35 C ATOM 1024 OE1 GLU A 64 14.100 -2.699 6.868 1.00 2.03 O ATOM 1025 OE2 GLU A 64 14.116 -4.628 5.829 1.00 1.79 O ATOM 0 H GLU A 64 16.743 -0.544 4.607 1.00 0.73 H new ATOM 0 HA GLU A 64 16.435 -2.260 2.302 1.00 0.64 H new ATOM 0 HB2 GLU A 64 14.302 -1.352 4.273 1.00 0.70 H new ATOM 0 HB3 GLU A 64 14.293 -2.796 3.280 1.00 0.70 H new ATOM 0 HG2 GLU A 64 16.131 -3.760 4.595 1.00 0.88 H new ATOM 0 HG3 GLU A 64 16.262 -2.290 5.540 1.00 0.88 H new ATOM 1032 N MET A 65 15.362 -0.733 0.655 1.00 0.52 N ATOM 1033 CA MET A 65 14.669 0.085 -0.349 1.00 0.48 C ATOM 1034 C MET A 65 13.195 -0.322 -0.405 1.00 0.43 C ATOM 1035 O MET A 65 12.807 -1.181 -1.201 1.00 0.62 O ATOM 1036 CB MET A 65 15.339 -0.079 -1.726 1.00 0.58 C ATOM 1037 CG MET A 65 16.696 0.609 -1.832 1.00 0.71 C ATOM 1038 SD MET A 65 16.560 2.400 -1.986 1.00 1.38 S ATOM 1039 CE MET A 65 15.760 2.555 -3.585 1.00 1.18 C ATOM 0 H MET A 65 15.938 -1.477 0.262 1.00 0.52 H new ATOM 0 HA MET A 65 14.733 1.137 -0.069 1.00 0.48 H new ATOM 0 HB2 MET A 65 15.463 -1.141 -1.936 1.00 0.58 H new ATOM 0 HB3 MET A 65 14.677 0.323 -2.493 1.00 0.58 H new ATOM 0 HG2 MET A 65 17.290 0.369 -0.950 1.00 0.71 H new ATOM 0 HG3 MET A 65 17.232 0.214 -2.695 1.00 0.71 H new ATOM 0 HE1 MET A 65 16.290 3.294 -4.187 1.00 1.18 H new ATOM 0 HE2 MET A 65 15.777 1.592 -4.095 1.00 1.18 H new ATOM 0 HE3 MET A 65 14.727 2.874 -3.446 1.00 1.18 H new ATOM 1049 N VAL A 66 12.398 0.245 0.504 1.00 0.32 N ATOM 1050 CA VAL A 66 10.990 -0.120 0.645 1.00 0.28 C ATOM 1051 C VAL A 66 10.047 0.808 -0.125 1.00 0.25 C ATOM 1052 O VAL A 66 10.433 1.886 -0.585 1.00 0.30 O ATOM 1053 CB VAL A 66 10.565 -0.168 2.141 1.00 0.29 C ATOM 1054 CG1 VAL A 66 11.378 -1.221 2.888 1.00 0.32 C ATOM 1055 CG2 VAL A 66 10.710 1.200 2.810 1.00 0.31 C ATOM 0 H VAL A 66 12.709 0.964 1.157 1.00 0.32 H new ATOM 0 HA VAL A 66 10.900 -1.115 0.209 1.00 0.28 H new ATOM 0 HB VAL A 66 9.511 -0.443 2.181 1.00 0.29 H new ATOM 0 HG11 VAL A 66 11.070 -1.244 3.933 1.00 0.32 H new ATOM 0 HG12 VAL A 66 11.207 -2.199 2.438 1.00 0.32 H new ATOM 0 HG13 VAL A 66 12.438 -0.973 2.827 1.00 0.32 H new ATOM 0 HG21 VAL A 66 10.404 1.129 3.854 1.00 0.31 H new ATOM 0 HG22 VAL A 66 11.750 1.522 2.758 1.00 0.31 H new ATOM 0 HG23 VAL A 66 10.079 1.925 2.296 1.00 0.31 H new ATOM 1065 N TYR A 67 8.801 0.351 -0.257 1.00 0.23 N ATOM 1066 CA TYR A 67 7.733 1.096 -0.924 1.00 0.22 C ATOM 1067 C TYR A 67 7.243 2.244 -0.044 1.00 0.23 C ATOM 1068 O TYR A 67 7.082 2.087 1.169 1.00 0.36 O ATOM 1069 CB TYR A 67 6.536 0.172 -1.246 1.00 0.22 C ATOM 1070 CG TYR A 67 6.614 -0.555 -2.576 1.00 0.20 C ATOM 1071 CD1 TYR A 67 7.040 0.090 -3.734 1.00 1.16 C ATOM 1072 CD2 TYR A 67 6.202 -1.881 -2.687 1.00 1.15 C ATOM 1073 CE1 TYR A 67 7.090 -0.571 -4.948 1.00 1.13 C ATOM 1074 CE2 TYR A 67 6.247 -2.550 -3.898 1.00 1.19 C ATOM 1075 CZ TYR A 67 6.674 -1.884 -5.028 1.00 0.26 C ATOM 1076 OH TYR A 67 6.746 -2.554 -6.230 1.00 0.32 O ATOM 0 H TYR A 67 8.502 -0.556 0.100 1.00 0.23 H new ATOM 0 HA TYR A 67 8.144 1.496 -1.851 1.00 0.22 H new ATOM 0 HB2 TYR A 67 6.446 -0.569 -0.451 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.624 0.769 -1.230 1.00 0.22 H new ATOM 0 HD1 TYR A 67 7.337 1.127 -3.683 1.00 1.16 H new ATOM 0 HD2 TYR A 67 5.840 -2.398 -1.810 1.00 1.15 H new ATOM 0 HE1 TYR A 67 7.453 -0.062 -5.829 1.00 1.13 H new ATOM 0 HE2 TYR A 67 5.950 -3.587 -3.958 1.00 1.19 H new ATOM 0 HH TYR A 67 6.889 -3.509 -6.064 1.00 0.32 H new ATOM 1086 N CYS A 68 6.932 3.361 -0.682 1.00 0.17 N ATOM 1087 CA CYS A 68 6.409 4.535 0.004 1.00 0.17 C ATOM 1088 C CYS A 68 5.601 5.397 -0.957 1.00 0.20 C ATOM 1089 O CYS A 68 5.689 5.244 -2.178 1.00 0.27 O ATOM 1090 CB CYS A 68 7.546 5.360 0.625 1.00 0.16 C ATOM 1091 SG CYS A 68 8.875 5.795 -0.522 1.00 1.61 S ATOM 0 H CYS A 68 7.034 3.481 -1.690 1.00 0.17 H new ATOM 0 HA CYS A 68 5.755 4.193 0.806 1.00 0.17 H new ATOM 0 HB2 CYS A 68 7.127 6.277 1.040 1.00 0.16 H new ATOM 0 HB3 CYS A 68 7.971 4.799 1.457 1.00 0.16 H new ATOM 0 HG CYS A 68 8.699 5.169 -1.647 1.00 1.61 H new ATOM 1097 N LEU A 69 4.792 6.283 -0.398 1.00 0.21 N ATOM 1098 CA LEU A 69 3.986 7.202 -1.202 1.00 0.25 C ATOM 1099 C LEU A 69 4.656 8.581 -1.239 1.00 0.30 C ATOM 1100 O LEU A 69 5.280 8.984 -0.255 1.00 0.41 O ATOM 1101 CB LEU A 69 2.556 7.306 -0.626 1.00 0.36 C ATOM 1102 CG LEU A 69 1.414 7.181 -1.650 1.00 0.48 C ATOM 1103 CD1 LEU A 69 1.615 5.968 -2.554 1.00 0.61 C ATOM 1104 CD2 LEU A 69 0.068 7.098 -0.945 1.00 0.94 C ATOM 0 H LEU A 69 4.673 6.389 0.609 1.00 0.21 H new ATOM 0 HA LEU A 69 3.915 6.819 -2.220 1.00 0.25 H new ATOM 0 HB2 LEU A 69 2.430 6.529 0.128 1.00 0.36 H new ATOM 0 HB3 LEU A 69 2.458 8.264 -0.115 1.00 0.36 H new ATOM 0 HG LEU A 69 1.427 8.075 -2.274 1.00 0.48 H new ATOM 0 HD11 LEU A 69 0.793 5.905 -3.267 1.00 0.61 H new ATOM 0 HD12 LEU A 69 2.557 6.069 -3.094 1.00 0.61 H new ATOM 0 HD13 LEU A 69 1.639 5.062 -1.948 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -0.726 7.010 -1.686 1.00 0.94 H new ATOM 0 HD22 LEU A 69 0.053 6.226 -0.292 1.00 0.94 H new ATOM 0 HD23 LEU A 69 -0.088 7.999 -0.351 1.00 0.94 H new ATOM 1116 N PRO A 70 4.535 9.323 -2.370 1.00 0.37 N ATOM 1117 CA PRO A 70 5.098 10.692 -2.524 1.00 0.51 C ATOM 1118 C PRO A 70 4.571 11.692 -1.473 1.00 0.71 C ATOM 1119 O PRO A 70 4.515 11.403 -0.276 1.00 1.00 O ATOM 1120 CB PRO A 70 4.663 11.082 -3.952 1.00 0.70 C ATOM 1121 CG PRO A 70 4.437 9.791 -4.646 1.00 0.64 C ATOM 1122 CD PRO A 70 3.838 8.893 -3.604 1.00 0.41 C ATOM 0 HA PRO A 70 6.177 10.713 -2.372 1.00 0.51 H new ATOM 0 HB2 PRO A 70 3.757 11.687 -3.938 1.00 0.70 H new ATOM 0 HB3 PRO A 70 5.432 11.671 -4.453 1.00 0.70 H new ATOM 0 HG2 PRO A 70 3.766 9.912 -5.497 1.00 0.64 H new ATOM 0 HG3 PRO A 70 5.370 9.381 -5.032 1.00 0.64 H new ATOM 0 HD2 PRO A 70 2.759 9.025 -3.527 1.00 0.41 H new ATOM 0 HD3 PRO A 70 4.016 7.841 -3.825 1.00 0.41 H new ATOM 1130 N ALA A 71 4.235 12.887 -1.931 1.00 0.96 N ATOM 1131 CA ALA A 71 3.693 13.948 -1.067 1.00 1.23 C ATOM 1132 C ALA A 71 2.314 13.564 -0.493 1.00 1.34 C ATOM 1133 O ALA A 71 1.956 12.384 -0.432 1.00 1.89 O ATOM 1134 CB ALA A 71 3.615 15.259 -1.848 1.00 1.66 C ATOM 0 H ALA A 71 4.326 13.158 -2.910 1.00 0.96 H new ATOM 0 HA ALA A 71 4.366 14.079 -0.220 1.00 1.23 H new ATOM 0 HB1 ALA A 71 3.213 16.042 -1.205 1.00 1.66 H new ATOM 0 HB2 ALA A 71 4.612 15.542 -2.185 1.00 1.66 H new ATOM 0 HB3 ALA A 71 2.964 15.129 -2.712 1.00 1.66 H new ATOM 1140 N GLU A 72 1.542 14.566 -0.072 1.00 1.48 N ATOM 1141 CA GLU A 72 0.209 14.332 0.502 1.00 1.76 C ATOM 1142 C GLU A 72 -0.790 13.906 -0.583 1.00 1.89 C ATOM 1143 O GLU A 72 -1.618 14.702 -1.037 1.00 2.17 O ATOM 1144 CB GLU A 72 -0.288 15.595 1.229 1.00 2.19 C ATOM 1145 CG GLU A 72 0.583 16.004 2.418 1.00 2.59 C ATOM 1146 CD GLU A 72 0.030 15.537 3.749 1.00 3.17 C ATOM 1147 OE1 GLU A 72 -0.874 16.203 4.287 1.00 3.75 O ATOM 1148 OE2 GLU A 72 0.492 14.498 4.255 1.00 3.59 O ATOM 0 H GLU A 72 1.813 15.548 -0.116 1.00 1.48 H new ATOM 0 HA GLU A 72 0.286 13.520 1.225 1.00 1.76 H new ATOM 0 HB2 GLU A 72 -0.328 16.420 0.518 1.00 2.19 H new ATOM 0 HB3 GLU A 72 -1.307 15.425 1.578 1.00 2.19 H new ATOM 0 HG2 GLU A 72 1.585 15.596 2.284 1.00 2.59 H new ATOM 0 HG3 GLU A 72 0.681 17.090 2.433 1.00 2.59 H new ATOM 1155 N LEU A 73 -0.698 12.638 -0.993 1.00 2.03 N ATOM 1156 CA LEU A 73 -1.545 12.090 -2.053 1.00 2.45 C ATOM 1157 C LEU A 73 -2.747 11.331 -1.478 1.00 3.07 C ATOM 1158 O LEU A 73 -2.841 10.106 -1.604 1.00 3.39 O ATOM 1159 CB LEU A 73 -0.711 11.170 -2.965 1.00 2.45 C ATOM 1160 CG LEU A 73 -1.321 10.885 -4.345 1.00 2.84 C ATOM 1161 CD1 LEU A 73 -1.457 12.167 -5.156 1.00 3.20 C ATOM 1162 CD2 LEU A 73 -0.478 9.868 -5.100 1.00 3.46 C ATOM 0 H LEU A 73 -0.038 11.966 -0.601 1.00 2.03 H new ATOM 0 HA LEU A 73 -1.935 12.921 -2.641 1.00 2.45 H new ATOM 0 HB2 LEU A 73 0.272 11.620 -3.106 1.00 2.45 H new ATOM 0 HB3 LEU A 73 -0.556 10.221 -2.452 1.00 2.45 H new ATOM 0 HG LEU A 73 -2.318 10.470 -4.195 1.00 2.84 H new ATOM 0 HD11 LEU A 73 -1.891 11.938 -6.129 1.00 3.20 H new ATOM 0 HD12 LEU A 73 -2.104 12.866 -4.626 1.00 3.20 H new ATOM 0 HD13 LEU A 73 -0.473 12.616 -5.295 1.00 3.20 H new ATOM 0 HD21 LEU A 73 -0.925 9.678 -6.076 1.00 3.46 H new ATOM 0 HD22 LEU A 73 0.531 10.259 -5.233 1.00 3.46 H new ATOM 0 HD23 LEU A 73 -0.435 8.938 -4.533 1.00 3.46 H new ATOM 1174 N GLY A 74 -3.673 12.070 -0.866 1.00 3.54 N ATOM 1175 CA GLY A 74 -4.907 11.470 -0.368 1.00 4.27 C ATOM 1176 C GLY A 74 -5.831 11.130 -1.526 1.00 4.79 C ATOM 1177 O GLY A 74 -6.146 9.959 -1.763 1.00 5.47 O ATOM 0 H GLY A 74 -3.592 13.074 -0.705 1.00 3.54 H new ATOM 0 HA2 GLY A 74 -4.678 10.569 0.200 1.00 4.27 H new ATOM 0 HA3 GLY A 74 -5.405 12.159 0.314 1.00 4.27 H new ATOM 1181 N VAL A 75 -6.174 12.160 -2.303 1.00 4.77 N ATOM 1182 CA VAL A 75 -6.957 12.006 -3.531 1.00 5.51 C ATOM 1183 C VAL A 75 -6.008 11.983 -4.743 1.00 5.62 C ATOM 1184 O VAL A 75 -4.938 12.601 -4.713 1.00 5.34 O ATOM 1185 CB VAL A 75 -7.996 13.149 -3.697 1.00 5.98 C ATOM 1186 CG1 VAL A 75 -9.213 12.900 -2.813 1.00 6.16 C ATOM 1187 CG2 VAL A 75 -7.382 14.513 -3.389 1.00 6.50 C ATOM 0 H VAL A 75 -5.916 13.125 -2.098 1.00 4.77 H new ATOM 0 HA VAL A 75 -7.506 11.066 -3.468 1.00 5.51 H new ATOM 0 HB VAL A 75 -8.316 13.156 -4.739 1.00 5.98 H new ATOM 0 HG11 VAL A 75 -9.929 13.711 -2.943 1.00 6.16 H new ATOM 0 HG12 VAL A 75 -9.679 11.956 -3.094 1.00 6.16 H new ATOM 0 HG13 VAL A 75 -8.902 12.855 -1.769 1.00 6.16 H new ATOM 0 HG21 VAL A 75 -8.137 15.289 -3.515 1.00 6.50 H new ATOM 0 HG22 VAL A 75 -7.018 14.525 -2.362 1.00 6.50 H new ATOM 0 HG23 VAL A 75 -6.552 14.700 -4.070 1.00 6.50 H new ATOM 1197 N PRO A 76 -6.375 11.260 -5.820 1.00 6.42 N ATOM 1198 CA PRO A 76 -5.529 11.143 -7.024 1.00 6.97 C ATOM 1199 C PRO A 76 -5.421 12.453 -7.814 1.00 7.29 C ATOM 1200 O PRO A 76 -6.397 12.920 -8.402 1.00 7.83 O ATOM 1201 CB PRO A 76 -6.238 10.055 -7.848 1.00 7.90 C ATOM 1202 CG PRO A 76 -7.660 10.091 -7.398 1.00 8.03 C ATOM 1203 CD PRO A 76 -7.628 10.483 -5.944 1.00 7.16 C ATOM 0 HA PRO A 76 -4.497 10.901 -6.772 1.00 6.97 H new ATOM 0 HB2 PRO A 76 -6.158 10.255 -8.917 1.00 7.90 H new ATOM 0 HB3 PRO A 76 -5.794 9.075 -7.672 1.00 7.90 H new ATOM 0 HG2 PRO A 76 -8.236 10.809 -7.983 1.00 8.03 H new ATOM 0 HG3 PRO A 76 -8.135 9.119 -7.529 1.00 8.03 H new ATOM 0 HD2 PRO A 76 -8.498 11.080 -5.670 1.00 7.16 H new ATOM 0 HD3 PRO A 76 -7.624 9.609 -5.293 1.00 7.16 H new ATOM 1211 N THR A 77 -4.232 13.051 -7.806 1.00 7.25 N ATOM 1212 CA THR A 77 -3.979 14.297 -8.525 1.00 7.86 C ATOM 1213 C THR A 77 -2.471 14.570 -8.582 1.00 8.48 C ATOM 1214 O THR A 77 -1.747 14.299 -7.618 1.00 8.73 O ATOM 1215 CB THR A 77 -4.728 15.478 -7.850 1.00 7.90 C ATOM 1216 OG1 THR A 77 -4.787 16.596 -8.722 1.00 8.72 O ATOM 1217 CG2 THR A 77 -4.126 15.947 -6.527 1.00 7.87 C ATOM 0 H THR A 77 -3.421 12.688 -7.304 1.00 7.25 H new ATOM 0 HA THR A 77 -4.354 14.199 -9.544 1.00 7.86 H new ATOM 0 HB THR A 77 -5.720 15.081 -7.633 1.00 7.90 H new ATOM 0 HG1 THR A 77 -5.264 17.330 -8.281 1.00 8.72 H new ATOM 0 HG21 THR A 77 -4.716 16.774 -6.132 1.00 7.87 H new ATOM 0 HG22 THR A 77 -4.131 15.124 -5.813 1.00 7.87 H new ATOM 0 HG23 THR A 77 -3.101 16.279 -6.691 1.00 7.87 H new ATOM 1225 N THR A 78 -2.004 15.099 -9.717 1.00 9.01 N ATOM 1226 CA THR A 78 -0.584 15.407 -9.909 1.00 9.88 C ATOM 1227 C THR A 78 -0.248 16.798 -9.350 1.00 10.40 C ATOM 1228 O THR A 78 -0.608 17.803 -9.998 1.00 10.57 O ATOM 1229 CB THR A 78 -0.220 15.323 -11.403 1.00 10.27 C ATOM 1230 OG1 THR A 78 -1.082 16.142 -12.179 1.00 10.30 O ATOM 1231 CG2 THR A 78 -0.294 13.915 -11.965 1.00 10.39 C ATOM 1232 OXT THR A 78 0.341 16.871 -8.256 1.00 10.83 O ATOM 0 H THR A 78 -2.592 15.324 -10.520 1.00 9.01 H new ATOM 0 HA THR A 78 0.006 14.671 -9.363 1.00 9.88 H new ATOM 0 HB THR A 78 0.813 15.666 -11.465 1.00 10.27 H new ATOM 0 HG1 THR A 78 -1.229 16.993 -11.716 1.00 10.30 H new ATOM 0 HG21 THR A 78 -0.025 13.930 -13.021 1.00 10.39 H new ATOM 0 HG22 THR A 78 0.398 13.270 -11.424 1.00 10.39 H new ATOM 0 HG23 THR A 78 -1.308 13.532 -11.854 1.00 10.39 H new TER 1240 THR A 78