USER MOD reduce.3.24.130724 H: found=0, std=0, add=1556, rem=0, adj=66 USER MOD reduce.3.24.130724 removed 1562 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: B 81 CYS SG : rot -90:sc= -12.1! USER MOD Set 1.2: B 85 MET CE :methyl -140:sc= -0.0868 (180deg=-0.77) USER MOD Set 2.1: B 18 LYS NZ :NH3+ -166:sc= 1.27 (180deg=1.22) USER MOD Set 2.2: B 19 TYR OH : rot 180:sc= -0.731 USER MOD Set 3.1: A 12 MET CE :methyl -172:sc= -0.0682 (180deg=-0.0341) USER MOD Set 3.2: A 80 SER OG : rot -100:sc= -2.07! USER MOD Set 3.3: B 12 MET CE :methyl -113:sc= -2.58! (180deg=-7.46!) USER MOD Set 3.4: B 80 SER OG : rot -152:sc= -1.5! USER MOD Set 4.1: A 81 CYS SG : rot 35:sc= -4.09! USER MOD Set 4.2: A 84 MET CE :methyl -174:sc= -5.39! (180deg=-6.03!) USER MOD Set 4.3: C1910 MET CE :methyl -170:sc= -4.67! (180deg=-4.96!) USER MOD Set 5.1: A 76 CYS SG : rot -39:sc= -3.26! USER MOD Set 5.2: B 84 MET CE :methyl 155:sc= -7.03! (180deg=-11.3!) USER MOD Set 6.1: A 61 ASN : amide:sc= -1.15 X(o=-2.1,f=-2.3) USER MOD Set 6.2: C1904 THR OG1 : rot -51:sc= -0.952! USER MOD Set 7.1: A 18 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.08) USER MOD Set 7.2: A 19 TYR OH : rot 180:sc= -0.692 USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= 0.898 (180deg=0.62) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 80:sc= -0.893! USER MOD Single : A 17 HIS :FLIP no HE2:sc= 0.292 F(o=-1.1,f=0.29) USER MOD Single : A 20 SER OG : rot -73:sc= 0.664 USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0.499 (180deg=0.494) USER MOD Single : A 30 ASN : amide:sc= -2.09! C(o=-2.1!,f=-5.8!) USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0397) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1.09) USER MOD Single : A 39 THR OG1 : rot -10:sc= 0.126 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 90:sc= -1.84 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -138:sc= -1.99 (180deg=-3.03!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -37:sc= 1.69 USER MOD Single : A 65 ASN : amide:sc= -0.946 K(o=-0.95,f=-3.3!) USER MOD Single : A 68 ASN :FLIP amide:sc=-0.00981 F(o=-1.8!,f=-0.0098) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.389 F(o=-1.1,f=-0.39) USER MOD Single : A 75 TYR OH : rot 90:sc= -1.54! USER MOD Single : A 85 MET CE :methyl -175:sc= -6.97! (180deg=-7.26!) USER MOD Single : A 86 CYS SG : rot -25:sc= 0.0903 USER MOD Single : A 87 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : B 3 CYS SG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 160:sc= 0.891 (180deg=0.595) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 85:sc= 0.772 USER MOD Single : B 17 HIS :FLIP no HE2:sc= 0.277 F(o=-1.1,f=0.28) USER MOD Single : B 20 SER OG : rot -81:sc= 0.676 USER MOD Single : B 28 LYS NZ :NH3+ 158:sc= 1.04 (180deg=0.485) USER MOD Single : B 30 ASN : amide:sc= -2.14! C(o=-2.1!,f=-5.8!) USER MOD Single : B 31 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.044) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -155:sc= 0.745 (180deg=0.406) USER MOD Single : B 39 THR OG1 : rot -15:sc= 0.333 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -147:sc= 1.17 (180deg=1.05) USER MOD Single : B 50 THR OG1 : rot 51:sc= 0.041 USER MOD Single : B 56 GLN :FLIP amide:sc=-0.00827 F(o=-1.2!,f=-0.0083) USER MOD Single : B 57 LYS NZ :NH3+ -160:sc= -0.0883 (180deg=-0.475) USER MOD Single : B 59 MET CE :methyl 177:sc= -2.09 (180deg=-2.21) USER MOD Single : B 60 SER OG : rot -27:sc= 0.356 USER MOD Single : B 61 ASN : amide:sc= -2.78! C(o=-2.8!,f=-7.7!) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 65 ASN : amide:sc= 0.0557 X(o=0.056,f=0) USER MOD Single : B 68 ASN :FLIP amide:sc= -0.0511 F(o=-2.1!,f=-0.051) USER MOD Single : B 73 GLN : amide:sc= -2.74! C(o=-2.7!,f=-3.3!) USER MOD Single : B 75 TYR OH : rot -15:sc= -0.121 USER MOD Single : B 76 CYS SG : rot 68:sc= -0.5 USER MOD Single : B 86 CYS SG : rot 180:sc= -2 USER MOD Single : B 87 ASN :FLIP amide:sc= -0.822 F(o=-1.3,f=-0.82) USER MOD Single : C1906 THR OG1 : rot 180:sc= 0.049 USER MOD Single : C1911 ASN : amide:sc= -0.236 K(o=-0.24,f=-2.9!) USER MOD Single : C1915 SER OG : rot 180:sc= 0 USER MOD Single : C1916 SER OG : rot 80:sc= 0.0208 USER MOD Single : C1918 LYS NZ :NH3+ 159:sc= 0.45 (180deg=0.21) USER MOD Single : C1919 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : C1920 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU C1899 -14.861 -8.476 2.333 1.00 0.40 N ATOM 45 CA GLU C1899 -13.468 -8.800 2.536 1.00 0.29 C ATOM 46 C GLU C1899 -12.793 -7.697 3.327 1.00 0.24 C ATOM 47 O GLU C1899 -11.842 -7.932 4.065 1.00 0.27 O ATOM 48 CB GLU C1899 -12.812 -8.877 1.166 1.00 0.30 C ATOM 49 CG GLU C1899 -13.298 -7.755 0.253 1.00 0.35 C ATOM 50 CD GLU C1899 -14.568 -8.114 -0.499 1.00 0.62 C ATOM 51 OE1 GLU C1899 -14.459 -8.843 -1.517 1.00 0.76 O ATOM 52 OE2 GLU C1899 -15.655 -7.650 -0.114 1.00 0.97 O ATOM 0 HA GLU C1899 -13.376 -9.741 3.078 1.00 0.29 H new ATOM 0 HB2 GLU C1899 -11.729 -8.816 1.275 1.00 0.30 H new ATOM 0 HB3 GLU C1899 -13.033 -9.842 0.709 1.00 0.30 H new ATOM 0 HG2 GLU C1899 -13.475 -6.860 0.849 1.00 0.35 H new ATOM 0 HG3 GLU C1899 -12.514 -7.511 -0.464 1.00 0.35 H new ATOM 59 N LEU C1900 -13.314 -6.481 3.161 1.00 0.24 N ATOM 60 CA LEU C1900 -12.716 -5.296 3.747 1.00 0.25 C ATOM 61 C LEU C1900 -12.799 -5.317 5.273 1.00 0.28 C ATOM 62 O LEU C1900 -12.334 -4.394 5.934 1.00 0.44 O ATOM 63 CB LEU C1900 -13.367 -4.014 3.207 1.00 0.33 C ATOM 64 CG LEU C1900 -12.926 -3.534 1.820 1.00 0.20 C ATOM 65 CD1 LEU C1900 -11.418 -3.541 1.677 1.00 0.22 C ATOM 66 CD2 LEU C1900 -13.583 -4.318 0.725 1.00 0.31 C ATOM 0 H LEU C1900 -14.158 -6.297 2.618 1.00 0.24 H new ATOM 0 HA LEU C1900 -11.664 -5.301 3.460 1.00 0.25 H new ATOM 0 HB2 LEU C1900 -14.446 -4.167 3.184 1.00 0.33 H new ATOM 0 HB3 LEU C1900 -13.174 -3.212 3.919 1.00 0.33 H new ATOM 0 HG LEU C1900 -13.257 -2.500 1.722 1.00 0.20 H new ATOM 0 HD11 LEU C1900 -11.145 -3.194 0.680 1.00 0.22 H new ATOM 0 HD12 LEU C1900 -10.979 -2.880 2.424 1.00 0.22 H new ATOM 0 HD13 LEU C1900 -11.043 -4.554 1.824 1.00 0.22 H new ATOM 0 HD21 LEU C1900 -13.244 -3.947 -0.242 1.00 0.31 H new ATOM 0 HD22 LEU C1900 -13.319 -5.371 0.822 1.00 0.31 H new ATOM 0 HD23 LEU C1900 -14.665 -4.207 0.797 1.00 0.31 H new ATOM 78 N GLU C1901 -13.390 -6.362 5.835 1.00 0.27 N ATOM 79 CA GLU C1901 -13.377 -6.533 7.274 1.00 0.34 C ATOM 80 C GLU C1901 -12.020 -7.072 7.699 1.00 0.37 C ATOM 81 O GLU C1901 -11.298 -6.422 8.444 1.00 0.52 O ATOM 82 CB GLU C1901 -14.491 -7.468 7.743 1.00 0.48 C ATOM 83 CG GLU C1901 -14.479 -7.684 9.247 1.00 1.00 C ATOM 84 CD GLU C1901 -15.661 -8.484 9.741 1.00 1.11 C ATOM 85 OE1 GLU C1901 -15.592 -9.730 9.730 1.00 1.48 O ATOM 86 OE2 GLU C1901 -16.659 -7.870 10.165 1.00 1.44 O ATOM 0 H GLU C1901 -13.878 -7.095 5.320 1.00 0.27 H new ATOM 0 HA GLU C1901 -13.554 -5.563 7.739 1.00 0.34 H new ATOM 0 HB2 GLU C1901 -15.455 -7.055 7.447 1.00 0.48 H new ATOM 0 HB3 GLU C1901 -14.388 -8.430 7.241 1.00 0.48 H new ATOM 0 HG2 GLU C1901 -13.559 -8.197 9.527 1.00 1.00 H new ATOM 0 HG3 GLU C1901 -14.469 -6.715 9.747 1.00 1.00 H new ATOM 93 N ASP C1902 -11.666 -8.245 7.186 1.00 0.37 N ATOM 94 CA ASP C1902 -10.360 -8.840 7.458 1.00 0.46 C ATOM 95 C ASP C1902 -9.271 -8.081 6.715 1.00 0.44 C ATOM 96 O ASP C1902 -8.094 -8.162 7.062 1.00 0.58 O ATOM 97 CB ASP C1902 -10.331 -10.315 7.045 1.00 0.60 C ATOM 98 CG ASP C1902 -11.092 -11.217 7.998 1.00 1.18 C ATOM 99 OD1 ASP C1902 -12.333 -11.289 7.888 1.00 2.01 O ATOM 100 OD2 ASP C1902 -10.456 -11.845 8.877 1.00 1.42 O ATOM 0 H ASP C1902 -12.265 -8.804 6.579 1.00 0.37 H new ATOM 0 HA ASP C1902 -10.179 -8.776 8.531 1.00 0.46 H new ATOM 0 HB2 ASP C1902 -10.754 -10.414 6.045 1.00 0.60 H new ATOM 0 HB3 ASP C1902 -9.295 -10.649 6.988 1.00 0.60 H new ATOM 105 N ALA C1903 -9.681 -7.356 5.681 1.00 0.36 N ATOM 106 CA ALA C1903 -8.766 -6.548 4.887 1.00 0.46 C ATOM 107 C ALA C1903 -8.185 -5.411 5.693 1.00 0.37 C ATOM 108 O ALA C1903 -7.009 -5.413 6.052 1.00 0.37 O ATOM 109 CB ALA C1903 -9.481 -5.952 3.688 1.00 0.66 C ATOM 0 H ALA C1903 -10.652 -7.312 5.371 1.00 0.36 H new ATOM 0 HA ALA C1903 -7.964 -7.211 4.563 1.00 0.46 H new ATOM 0 HB1 ALA C1903 -8.780 -5.352 3.108 1.00 0.66 H new ATOM 0 HB2 ALA C1903 -9.875 -6.754 3.064 1.00 0.66 H new ATOM 0 HB3 ALA C1903 -10.302 -5.322 4.030 1.00 0.66 H new ATOM 115 N THR C1904 -9.034 -4.448 5.987 1.00 0.37 N ATOM 116 CA THR C1904 -8.583 -3.185 6.505 1.00 0.36 C ATOM 117 C THR C1904 -8.711 -3.113 8.019 1.00 0.34 C ATOM 118 O THR C1904 -8.453 -2.075 8.623 1.00 0.36 O ATOM 119 CB THR C1904 -9.339 -2.035 5.820 1.00 0.40 C ATOM 120 OG1 THR C1904 -10.748 -2.168 6.025 1.00 0.42 O ATOM 121 CG2 THR C1904 -9.050 -2.047 4.324 1.00 0.40 C ATOM 0 H THR C1904 -10.045 -4.523 5.873 1.00 0.37 H new ATOM 0 HA THR C1904 -7.521 -3.086 6.279 1.00 0.36 H new ATOM 0 HB THR C1904 -9.002 -1.094 6.255 1.00 0.40 H new ATOM 0 HG1 THR C1904 -11.030 -3.074 5.780 1.00 0.42 H new ATOM 0 HG21 THR C1904 -9.588 -1.230 3.843 1.00 0.40 H new ATOM 0 HG22 THR C1904 -7.980 -1.923 4.159 1.00 0.40 H new ATOM 0 HG23 THR C1904 -9.375 -2.996 3.898 1.00 0.40 H new ATOM 129 N GLU C1905 -9.103 -4.222 8.635 1.00 0.32 N ATOM 130 CA GLU C1905 -8.974 -4.364 10.079 1.00 0.32 C ATOM 131 C GLU C1905 -7.527 -4.116 10.439 1.00 0.28 C ATOM 132 O GLU C1905 -7.193 -3.316 11.314 1.00 0.32 O ATOM 133 CB GLU C1905 -9.325 -5.779 10.504 1.00 0.36 C ATOM 134 CG GLU C1905 -9.203 -6.025 12.000 1.00 0.62 C ATOM 135 CD GLU C1905 -10.246 -5.279 12.808 1.00 1.25 C ATOM 136 OE1 GLU C1905 -11.362 -5.816 12.991 1.00 2.06 O ATOM 137 OE2 GLU C1905 -9.952 -4.160 13.279 1.00 1.76 O ATOM 0 H GLU C1905 -9.509 -5.029 8.162 1.00 0.32 H new ATOM 0 HA GLU C1905 -9.643 -3.661 10.575 1.00 0.32 H new ATOM 0 HB2 GLU C1905 -10.346 -5.998 10.193 1.00 0.36 H new ATOM 0 HB3 GLU C1905 -8.675 -6.477 9.977 1.00 0.36 H new ATOM 0 HG2 GLU C1905 -9.295 -7.093 12.196 1.00 0.62 H new ATOM 0 HG3 GLU C1905 -8.210 -5.724 12.333 1.00 0.62 H new ATOM 144 N THR C1906 -6.676 -4.811 9.707 1.00 0.25 N ATOM 145 CA THR C1906 -5.253 -4.745 9.890 1.00 0.24 C ATOM 146 C THR C1906 -4.695 -3.448 9.314 1.00 0.21 C ATOM 147 O THR C1906 -3.513 -3.145 9.479 1.00 0.19 O ATOM 148 CB THR C1906 -4.591 -5.956 9.213 1.00 0.29 C ATOM 149 OG1 THR C1906 -5.545 -7.026 9.120 1.00 0.48 O ATOM 150 CG2 THR C1906 -3.393 -6.430 10.015 1.00 0.47 C ATOM 0 H THR C1906 -6.966 -5.443 8.961 1.00 0.25 H new ATOM 0 HA THR C1906 -5.034 -4.764 10.958 1.00 0.24 H new ATOM 0 HB THR C1906 -4.255 -5.660 8.219 1.00 0.29 H new ATOM 0 HG1 THR C1906 -5.127 -7.800 8.687 1.00 0.48 H new ATOM 0 HG21 THR C1906 -2.939 -7.288 9.519 1.00 0.47 H new ATOM 0 HG22 THR C1906 -2.662 -5.624 10.088 1.00 0.47 H new ATOM 0 HG23 THR C1906 -3.716 -6.719 11.015 1.00 0.47 H new ATOM 158 N ALA C1907 -5.550 -2.670 8.642 1.00 0.23 N ATOM 159 CA ALA C1907 -5.131 -1.375 8.128 1.00 0.21 C ATOM 160 C ALA C1907 -4.786 -0.460 9.286 1.00 0.21 C ATOM 161 O ALA C1907 -3.782 0.247 9.251 1.00 0.21 O ATOM 162 CB ALA C1907 -6.193 -0.738 7.235 1.00 0.22 C ATOM 0 H ALA C1907 -6.521 -2.915 8.447 1.00 0.23 H new ATOM 0 HA ALA C1907 -4.249 -1.528 7.507 1.00 0.21 H new ATOM 0 HB1 ALA C1907 -5.835 0.227 6.875 1.00 0.22 H new ATOM 0 HB2 ALA C1907 -6.393 -1.391 6.385 1.00 0.22 H new ATOM 0 HB3 ALA C1907 -7.110 -0.595 7.806 1.00 0.22 H new ATOM 168 N ASP C1908 -5.626 -0.494 10.315 1.00 0.24 N ATOM 169 CA ASP C1908 -5.364 0.220 11.562 1.00 0.26 C ATOM 170 C ASP C1908 -3.972 -0.140 12.098 1.00 0.27 C ATOM 171 O ASP C1908 -3.217 0.733 12.526 1.00 0.34 O ATOM 172 CB ASP C1908 -6.446 -0.136 12.596 1.00 0.33 C ATOM 173 CG ASP C1908 -6.353 0.667 13.885 1.00 0.44 C ATOM 174 OD1 ASP C1908 -5.426 0.416 14.683 1.00 0.68 O ATOM 175 OD2 ASP C1908 -7.237 1.522 14.126 1.00 0.58 O ATOM 0 H ASP C1908 -6.503 -1.014 10.310 1.00 0.24 H new ATOM 0 HA ASP C1908 -5.391 1.293 11.374 1.00 0.26 H new ATOM 0 HB2 ASP C1908 -7.428 0.023 12.150 1.00 0.33 H new ATOM 0 HB3 ASP C1908 -6.372 -1.197 12.834 1.00 0.33 H new ATOM 180 N ALA C1909 -3.628 -1.425 12.024 1.00 0.23 N ATOM 181 CA ALA C1909 -2.339 -1.915 12.511 1.00 0.24 C ATOM 182 C ALA C1909 -1.182 -1.404 11.648 1.00 0.22 C ATOM 183 O ALA C1909 -0.279 -0.729 12.152 1.00 0.24 O ATOM 184 CB ALA C1909 -2.335 -3.434 12.555 1.00 0.27 C ATOM 0 H ALA C1909 -4.228 -2.149 11.629 1.00 0.23 H new ATOM 0 HA ALA C1909 -2.196 -1.530 13.521 1.00 0.24 H new ATOM 0 HB1 ALA C1909 -1.369 -3.785 12.919 1.00 0.27 H new ATOM 0 HB2 ALA C1909 -3.123 -3.781 13.224 1.00 0.27 H new ATOM 0 HB3 ALA C1909 -2.510 -3.827 11.554 1.00 0.27 H new ATOM 190 N MET C1910 -1.197 -1.751 10.358 1.00 0.19 N ATOM 191 CA MET C1910 -0.234 -1.224 9.392 1.00 0.19 C ATOM 192 C MET C1910 -0.064 0.287 9.519 1.00 0.19 C ATOM 193 O MET C1910 1.047 0.779 9.481 1.00 0.22 O ATOM 194 CB MET C1910 -0.674 -1.591 7.969 1.00 0.18 C ATOM 195 CG MET C1910 -0.018 -0.772 6.855 1.00 0.20 C ATOM 196 SD MET C1910 -0.435 -1.416 5.230 1.00 0.20 S ATOM 197 CE MET C1910 0.116 -3.113 5.393 1.00 0.14 C ATOM 0 H MET C1910 -1.873 -2.401 9.957 1.00 0.19 H new ATOM 0 HA MET C1910 0.734 -1.677 9.605 1.00 0.19 H new ATOM 0 HB2 MET C1910 -0.457 -2.646 7.799 1.00 0.18 H new ATOM 0 HB3 MET C1910 -1.755 -1.472 7.898 1.00 0.18 H new ATOM 0 HG2 MET C1910 -0.339 0.267 6.929 1.00 0.20 H new ATOM 0 HG3 MET C1910 1.064 -0.781 6.984 1.00 0.20 H new ATOM 0 HE1 MET C1910 0.092 -3.599 4.418 1.00 0.14 H new ATOM 0 HE2 MET C1910 1.134 -3.129 5.781 1.00 0.14 H new ATOM 0 HE3 MET C1910 -0.542 -3.645 6.080 1.00 0.14 H new ATOM 207 N ASN C1911 -1.155 1.004 9.705 1.00 0.21 N ATOM 208 CA ASN C1911 -1.130 2.468 9.784 1.00 0.22 C ATOM 209 C ASN C1911 -0.241 2.963 10.916 1.00 0.23 C ATOM 210 O ASN C1911 0.499 3.933 10.756 1.00 0.27 O ATOM 211 CB ASN C1911 -2.546 2.971 10.014 1.00 0.24 C ATOM 212 CG ASN C1911 -2.666 4.474 9.978 1.00 0.25 C ATOM 213 OD1 ASN C1911 -2.476 5.157 10.987 1.00 0.42 O ATOM 214 ND2 ASN C1911 -3.005 4.994 8.819 1.00 0.25 N ATOM 0 H ASN C1911 -2.085 0.598 9.806 1.00 0.21 H new ATOM 0 HA ASN C1911 -0.724 2.849 8.847 1.00 0.22 H new ATOM 0 HB2 ASN C1911 -3.202 2.544 9.255 1.00 0.24 H new ATOM 0 HB3 ASN C1911 -2.899 2.610 10.980 1.00 0.24 H new ATOM 0 HD21 ASN C1911 -3.121 6.003 8.727 1.00 0.25 H new ATOM 0 HD22 ASN C1911 -3.152 4.388 8.012 1.00 0.25 H new ATOM 221 N ARG C1912 -0.313 2.305 12.057 1.00 0.23 N ATOM 222 CA ARG C1912 0.453 2.738 13.214 1.00 0.26 C ATOM 223 C ARG C1912 1.937 2.642 12.924 1.00 0.28 C ATOM 224 O ARG C1912 2.688 3.593 13.138 1.00 0.38 O ATOM 225 CB ARG C1912 0.109 1.900 14.439 1.00 0.30 C ATOM 226 CG ARG C1912 -1.376 1.870 14.750 1.00 0.75 C ATOM 227 CD ARG C1912 -2.001 3.245 14.580 1.00 1.46 C ATOM 228 NE ARG C1912 -3.415 3.254 14.944 1.00 2.17 N ATOM 229 CZ ARG C1912 -4.334 4.028 14.370 1.00 2.91 C ATOM 230 NH1 ARG C1912 -4.013 4.808 13.343 1.00 3.13 N ATOM 231 NH2 ARG C1912 -5.585 4.001 14.811 1.00 3.76 N ATOM 0 H ARG C1912 -0.888 1.476 12.209 1.00 0.23 H new ATOM 0 HA ARG C1912 0.195 3.776 13.423 1.00 0.26 H new ATOM 0 HB2 ARG C1912 0.461 0.880 14.283 1.00 0.30 H new ATOM 0 HB3 ARG C1912 0.646 2.294 15.302 1.00 0.30 H new ATOM 0 HG2 ARG C1912 -1.874 1.158 14.092 1.00 0.75 H new ATOM 0 HG3 ARG C1912 -1.529 1.522 15.771 1.00 0.75 H new ATOM 0 HD2 ARG C1912 -1.464 3.966 15.196 1.00 1.46 H new ATOM 0 HD3 ARG C1912 -1.892 3.567 13.544 1.00 1.46 H new ATOM 0 HE ARG C1912 -3.719 2.625 15.688 1.00 2.17 H new ATOM 0 HH11 ARG C1912 -3.057 4.817 12.989 1.00 3.13 H new ATOM 0 HH12 ARG C1912 -4.723 5.398 12.909 1.00 3.13 H new ATOM 0 HH21 ARG C1912 -5.839 3.389 15.587 1.00 3.76 H new ATOM 0 HH22 ARG C1912 -6.292 4.592 14.375 1.00 3.76 H new ATOM 245 N GLU C1913 2.345 1.502 12.398 1.00 0.23 N ATOM 246 CA GLU C1913 3.742 1.270 12.102 1.00 0.25 C ATOM 247 C GLU C1913 4.139 1.954 10.802 1.00 0.22 C ATOM 248 O GLU C1913 5.286 2.316 10.631 1.00 0.27 O ATOM 249 CB GLU C1913 4.040 -0.222 12.023 1.00 0.29 C ATOM 250 CG GLU C1913 3.376 -0.922 10.854 1.00 0.29 C ATOM 251 CD GLU C1913 3.827 -2.359 10.735 1.00 0.39 C ATOM 252 OE1 GLU C1913 5.049 -2.604 10.730 1.00 0.79 O ATOM 253 OE2 GLU C1913 2.955 -3.243 10.606 1.00 0.57 O ATOM 0 H GLU C1913 1.727 0.724 12.168 1.00 0.23 H new ATOM 0 HA GLU C1913 4.331 1.697 12.914 1.00 0.25 H new ATOM 0 HB2 GLU C1913 5.119 -0.363 11.953 1.00 0.29 H new ATOM 0 HB3 GLU C1913 3.716 -0.696 12.949 1.00 0.29 H new ATOM 0 HG2 GLU C1913 2.293 -0.889 10.977 1.00 0.29 H new ATOM 0 HG3 GLU C1913 3.608 -0.390 9.931 1.00 0.29 H new ATOM 260 N VAL C1914 3.180 2.122 9.893 1.00 0.19 N ATOM 261 CA VAL C1914 3.435 2.747 8.596 1.00 0.20 C ATOM 262 C VAL C1914 3.726 4.222 8.776 1.00 0.18 C ATOM 263 O VAL C1914 4.540 4.801 8.058 1.00 0.20 O ATOM 264 CB VAL C1914 2.226 2.597 7.630 1.00 0.24 C ATOM 265 CG1 VAL C1914 1.191 3.685 7.839 1.00 0.26 C ATOM 266 CG2 VAL C1914 2.667 2.606 6.192 1.00 0.29 C ATOM 0 H VAL C1914 2.212 1.832 10.033 1.00 0.19 H new ATOM 0 HA VAL C1914 4.295 2.238 8.161 1.00 0.20 H new ATOM 0 HB VAL C1914 1.770 1.634 7.861 1.00 0.24 H new ATOM 0 HG11 VAL C1914 0.365 3.540 7.143 1.00 0.26 H new ATOM 0 HG12 VAL C1914 0.816 3.639 8.861 1.00 0.26 H new ATOM 0 HG13 VAL C1914 1.647 4.659 7.663 1.00 0.26 H new ATOM 0 HG21 VAL C1914 1.797 2.499 5.544 1.00 0.29 H new ATOM 0 HG22 VAL C1914 3.170 3.547 5.972 1.00 0.29 H new ATOM 0 HG23 VAL C1914 3.354 1.778 6.017 1.00 0.29 H new ATOM 276 N SER C1915 3.052 4.817 9.747 1.00 0.21 N ATOM 277 CA SER C1915 3.197 6.221 10.024 1.00 0.28 C ATOM 278 C SER C1915 4.551 6.453 10.667 1.00 0.28 C ATOM 279 O SER C1915 5.146 7.519 10.547 1.00 0.36 O ATOM 280 CB SER C1915 2.055 6.680 10.913 1.00 0.36 C ATOM 281 OG SER C1915 2.000 8.092 11.005 1.00 1.31 O ATOM 0 H SER C1915 2.393 4.335 10.359 1.00 0.21 H new ATOM 0 HA SER C1915 3.152 6.806 9.106 1.00 0.28 H new ATOM 0 HB2 SER C1915 1.112 6.304 10.517 1.00 0.36 H new ATOM 0 HB3 SER C1915 2.175 6.254 11.909 1.00 0.36 H new ATOM 0 HG SER C1915 1.253 8.353 11.583 1.00 1.31 H new ATOM 287 N SER C1916 5.030 5.436 11.355 1.00 0.25 N ATOM 288 CA SER C1916 6.399 5.411 11.788 1.00 0.27 C ATOM 289 C SER C1916 7.306 5.013 10.622 1.00 0.27 C ATOM 290 O SER C1916 8.418 5.508 10.498 1.00 0.29 O ATOM 291 CB SER C1916 6.540 4.421 12.937 1.00 0.31 C ATOM 292 OG SER C1916 5.657 4.747 13.998 1.00 1.04 O ATOM 0 H SER C1916 4.484 4.617 11.623 1.00 0.25 H new ATOM 0 HA SER C1916 6.696 6.402 12.131 1.00 0.27 H new ATOM 0 HB2 SER C1916 6.330 3.412 12.581 1.00 0.31 H new ATOM 0 HB3 SER C1916 7.568 4.423 13.300 1.00 0.31 H new ATOM 0 HG SER C1916 4.757 4.424 13.785 1.00 1.04 H new ATOM 298 N LEU C1917 6.792 4.145 9.746 1.00 0.30 N ATOM 299 CA LEU C1917 7.577 3.539 8.675 1.00 0.30 C ATOM 300 C LEU C1917 8.058 4.535 7.654 1.00 0.26 C ATOM 301 O LEU C1917 9.258 4.680 7.455 1.00 0.26 O ATOM 302 CB LEU C1917 6.811 2.454 7.933 1.00 0.42 C ATOM 303 CG LEU C1917 7.632 1.791 6.831 1.00 0.57 C ATOM 304 CD1 LEU C1917 9.024 1.537 7.328 1.00 1.25 C ATOM 305 CD2 LEU C1917 7.027 0.491 6.398 1.00 1.16 C ATOM 0 H LEU C1917 5.817 3.844 9.762 1.00 0.30 H new ATOM 0 HA LEU C1917 8.435 3.106 9.189 1.00 0.30 H new ATOM 0 HB2 LEU C1917 6.488 1.694 8.644 1.00 0.42 H new ATOM 0 HB3 LEU C1917 5.910 2.886 7.497 1.00 0.42 H new ATOM 0 HG LEU C1917 7.647 2.466 5.975 1.00 0.57 H new ATOM 0 HD11 LEU C1917 9.611 1.063 6.541 1.00 1.25 H new ATOM 0 HD12 LEU C1917 9.489 2.482 7.608 1.00 1.25 H new ATOM 0 HD13 LEU C1917 8.986 0.880 8.197 1.00 1.25 H new ATOM 0 HD21 LEU C1917 7.639 0.049 5.612 1.00 1.16 H new ATOM 0 HD22 LEU C1917 6.980 -0.190 7.248 1.00 1.16 H new ATOM 0 HD23 LEU C1917 6.021 0.667 6.018 1.00 1.16 H new ATOM 317 N LYS C1918 7.136 5.189 6.977 1.00 0.28 N ATOM 318 CA LYS C1918 7.524 6.086 5.905 1.00 0.29 C ATOM 319 C LYS C1918 8.443 7.184 6.465 1.00 0.32 C ATOM 320 O LYS C1918 9.186 7.831 5.732 1.00 0.38 O ATOM 321 CB LYS C1918 6.301 6.661 5.182 1.00 0.39 C ATOM 322 CG LYS C1918 5.748 7.909 5.804 1.00 0.29 C ATOM 323 CD LYS C1918 5.173 7.609 7.178 1.00 0.40 C ATOM 324 CE LYS C1918 4.968 8.857 7.984 1.00 0.69 C ATOM 325 NZ LYS C1918 4.029 9.795 7.325 1.00 1.36 N ATOM 0 H LYS C1918 6.132 5.120 7.144 1.00 0.28 H new ATOM 0 HA LYS C1918 8.080 5.526 5.154 1.00 0.29 H new ATOM 0 HB2 LYS C1918 6.571 6.873 4.148 1.00 0.39 H new ATOM 0 HB3 LYS C1918 5.518 5.903 5.158 1.00 0.39 H new ATOM 0 HG2 LYS C1918 6.534 8.659 5.888 1.00 0.29 H new ATOM 0 HG3 LYS C1918 4.973 8.329 5.163 1.00 0.29 H new ATOM 0 HD2 LYS C1918 4.222 7.088 7.068 1.00 0.40 H new ATOM 0 HD3 LYS C1918 5.844 6.937 7.713 1.00 0.40 H new ATOM 0 HE2 LYS C1918 4.585 8.593 8.970 1.00 0.69 H new ATOM 0 HE3 LYS C1918 5.927 9.352 8.137 1.00 0.69 H new ATOM 0 HZ1 LYS C1918 3.639 10.450 8.032 1.00 1.36 H new ATOM 0 HZ2 LYS C1918 4.534 10.335 6.594 1.00 1.36 H new ATOM 0 HZ3 LYS C1918 3.254 9.259 6.886 1.00 1.36 H new ATOM 339 N ASN C1919 8.401 7.332 7.793 1.00 0.31 N ATOM 340 CA ASN C1919 9.236 8.282 8.517 1.00 0.33 C ATOM 341 C ASN C1919 10.568 7.646 8.955 1.00 0.32 C ATOM 342 O ASN C1919 11.559 8.350 9.148 1.00 0.41 O ATOM 343 CB ASN C1919 8.479 8.797 9.746 1.00 0.37 C ATOM 344 CG ASN C1919 9.182 9.956 10.427 1.00 0.43 C ATOM 345 OD1 ASN C1919 9.808 10.793 9.776 1.00 1.05 O ATOM 346 ND2 ASN C1919 9.085 10.010 11.746 1.00 1.15 N ATOM 0 H ASN C1919 7.781 6.790 8.395 1.00 0.31 H new ATOM 0 HA ASN C1919 9.465 9.110 7.847 1.00 0.33 H new ATOM 0 HB2 ASN C1919 7.479 9.110 9.446 1.00 0.37 H new ATOM 0 HB3 ASN C1919 8.357 7.982 10.460 1.00 0.37 H new ATOM 0 HD21 ASN C1919 9.539 10.765 12.260 1.00 1.15 H new ATOM 0 HD22 ASN C1919 8.557 9.296 12.248 1.00 1.15 H new ATOM 353 N LYS C1920 10.608 6.315 9.100 1.00 0.28 N ATOM 354 CA LYS C1920 11.842 5.643 9.488 1.00 0.37 C ATOM 355 C LYS C1920 12.642 5.374 8.247 1.00 0.41 C ATOM 356 O LYS C1920 13.874 5.404 8.256 1.00 0.53 O ATOM 357 CB LYS C1920 11.630 4.341 10.314 1.00 0.48 C ATOM 358 CG LYS C1920 10.468 3.400 9.932 1.00 0.33 C ATOM 359 CD LYS C1920 10.516 2.136 10.790 1.00 0.44 C ATOM 360 CE LYS C1920 9.328 1.219 10.531 1.00 1.36 C ATOM 361 NZ LYS C1920 9.501 -0.125 11.147 1.00 1.64 N ATOM 0 H LYS C1920 9.810 5.696 8.956 1.00 0.28 H new ATOM 0 HA LYS C1920 12.381 6.308 10.162 1.00 0.37 H new ATOM 0 HB2 LYS C1920 12.553 3.763 10.263 1.00 0.48 H new ATOM 0 HB3 LYS C1920 11.492 4.630 11.356 1.00 0.48 H new ATOM 0 HG2 LYS C1920 9.515 3.910 10.073 1.00 0.33 H new ATOM 0 HG3 LYS C1920 10.535 3.136 8.877 1.00 0.33 H new ATOM 0 HD2 LYS C1920 11.441 1.596 10.587 1.00 0.44 H new ATOM 0 HD3 LYS C1920 10.535 2.415 11.844 1.00 0.44 H new ATOM 0 HE2 LYS C1920 8.423 1.682 10.925 1.00 1.36 H new ATOM 0 HE3 LYS C1920 9.187 1.107 9.456 1.00 1.36 H new ATOM 0 HZ1 LYS C1920 8.666 -0.711 10.942 1.00 1.64 H new ATOM 0 HZ2 LYS C1920 10.349 -0.581 10.753 1.00 1.64 H new ATOM 0 HZ3 LYS C1920 9.609 -0.024 12.176 1.00 1.64 H new ATOM 375 N LEU C1921 11.923 5.166 7.167 1.00 0.38 N ATOM 376 CA LEU C1921 12.524 5.025 5.871 1.00 0.46 C ATOM 377 C LEU C1921 13.111 6.358 5.425 1.00 0.59 C ATOM 378 O LEU C1921 14.315 6.479 5.197 1.00 0.92 O ATOM 379 CB LEU C1921 11.488 4.513 4.862 1.00 0.44 C ATOM 380 CG LEU C1921 10.948 3.105 5.148 1.00 0.38 C ATOM 381 CD1 LEU C1921 10.343 2.491 3.898 1.00 0.40 C ATOM 382 CD2 LEU C1921 12.038 2.201 5.687 1.00 0.48 C ATOM 0 H LEU C1921 10.906 5.091 7.168 1.00 0.38 H new ATOM 0 HA LEU C1921 13.332 4.296 5.925 1.00 0.46 H new ATOM 0 HB2 LEU C1921 10.650 5.210 4.838 1.00 0.44 H new ATOM 0 HB3 LEU C1921 11.936 4.520 3.868 1.00 0.44 H new ATOM 0 HG LEU C1921 10.169 3.202 5.905 1.00 0.38 H new ATOM 0 HD11 LEU C1921 9.968 1.494 4.128 1.00 0.40 H new ATOM 0 HD12 LEU C1921 9.522 3.116 3.547 1.00 0.40 H new ATOM 0 HD13 LEU C1921 11.105 2.422 3.121 1.00 0.40 H new ATOM 0 HD21 LEU C1921 11.627 1.210 5.880 1.00 0.48 H new ATOM 0 HD22 LEU C1921 12.842 2.123 4.955 1.00 0.48 H new ATOM 0 HD23 LEU C1921 12.431 2.618 6.614 1.00 0.48 H new ATOM 394 N ARG C1922 12.274 7.381 5.369 1.00 0.49 N ATOM 395 CA ARG C1922 12.696 8.676 4.855 1.00 0.66 C ATOM 396 C ARG C1922 13.564 9.435 5.865 1.00 0.65 C ATOM 397 O ARG C1922 13.956 10.578 5.620 1.00 0.78 O ATOM 398 CB ARG C1922 11.483 9.506 4.443 1.00 0.87 C ATOM 399 CG ARG C1922 11.831 10.596 3.449 1.00 1.15 C ATOM 400 CD ARG C1922 10.605 11.138 2.744 1.00 1.07 C ATOM 401 NE ARG C1922 9.631 11.736 3.654 1.00 1.64 N ATOM 402 CZ ARG C1922 9.112 12.947 3.474 1.00 2.45 C ATOM 403 NH1 ARG C1922 9.624 13.759 2.558 1.00 2.92 N ATOM 404 NH2 ARG C1922 8.113 13.365 4.234 1.00 3.23 N ATOM 0 H ARG C1922 11.301 7.341 5.672 1.00 0.49 H new ATOM 0 HA ARG C1922 13.312 8.499 3.973 1.00 0.66 H new ATOM 0 HB2 ARG C1922 10.730 8.850 4.007 1.00 0.87 H new ATOM 0 HB3 ARG C1922 11.038 9.957 5.330 1.00 0.87 H new ATOM 0 HG2 ARG C1922 12.340 11.409 3.967 1.00 1.15 H new ATOM 0 HG3 ARG C1922 12.529 10.203 2.710 1.00 1.15 H new ATOM 0 HD2 ARG C1922 10.915 11.885 2.013 1.00 1.07 H new ATOM 0 HD3 ARG C1922 10.126 10.330 2.190 1.00 1.07 H new ATOM 0 HE ARG C1922 9.334 11.198 4.468 1.00 1.64 H new ATOM 0 HH11 ARG C1922 10.416 13.454 1.992 1.00 2.92 H new ATOM 0 HH12 ARG C1922 9.226 14.688 2.420 1.00 2.92 H new ATOM 0 HH21 ARG C1922 7.737 12.757 4.962 1.00 3.23 H new ATOM 0 HH22 ARG C1922 7.718 14.295 4.092 1.00 3.23 H new ATOM 461 N LEU C1926 17.677 5.317 4.547 1.00 0.64 N ATOM 462 CA LEU C1926 17.239 4.644 3.339 1.00 0.60 C ATOM 463 C LEU C1926 17.973 5.106 2.090 1.00 0.54 C ATOM 464 O LEU C1926 18.319 6.279 1.946 1.00 0.72 O ATOM 465 CB LEU C1926 15.744 4.852 3.128 1.00 0.93 C ATOM 466 CG LEU C1926 14.822 3.917 3.905 1.00 0.48 C ATOM 467 CD1 LEU C1926 13.739 3.423 2.971 1.00 0.56 C ATOM 468 CD2 LEU C1926 15.595 2.756 4.506 1.00 0.57 C ATOM 0 HA LEU C1926 17.468 3.589 3.487 1.00 0.60 H new ATOM 0 HB2 LEU C1926 15.499 5.879 3.398 1.00 0.93 H new ATOM 0 HB3 LEU C1926 15.528 4.742 2.065 1.00 0.93 H new ATOM 0 HG LEU C1926 14.370 4.460 4.735 1.00 0.48 H new ATOM 0 HD11 LEU C1926 13.071 2.753 3.511 1.00 0.56 H new ATOM 0 HD12 LEU C1926 13.171 4.272 2.590 1.00 0.56 H new ATOM 0 HD13 LEU C1926 14.194 2.888 2.137 1.00 0.56 H new ATOM 0 HD21 LEU C1926 14.911 2.108 5.053 1.00 0.57 H new ATOM 0 HD22 LEU C1926 16.075 2.187 3.710 1.00 0.57 H new ATOM 0 HD23 LEU C1926 16.355 3.139 5.187 1.00 0.57 H new ATOM 480 N PRO C1927 18.213 4.157 1.175 1.00 0.46 N ATOM 481 CA PRO C1927 18.671 4.439 -0.178 1.00 0.55 C ATOM 482 C PRO C1927 17.498 4.597 -1.131 1.00 0.63 C ATOM 483 O PRO C1927 17.671 4.646 -2.349 1.00 1.12 O ATOM 484 CB PRO C1927 19.438 3.178 -0.538 1.00 0.54 C ATOM 485 CG PRO C1927 18.744 2.080 0.203 1.00 0.44 C ATOM 486 CD PRO C1927 18.077 2.707 1.404 1.00 0.41 C ATOM 0 HA PRO C1927 19.253 5.359 -0.243 1.00 0.55 H new ATOM 0 HB2 PRO C1927 19.423 3.000 -1.613 1.00 0.54 H new ATOM 0 HB3 PRO C1927 20.484 3.254 -0.242 1.00 0.54 H new ATOM 0 HG2 PRO C1927 18.008 1.591 -0.435 1.00 0.44 H new ATOM 0 HG3 PRO C1927 19.456 1.315 0.513 1.00 0.44 H new ATOM 0 HD2 PRO C1927 17.030 2.412 1.478 1.00 0.41 H new ATOM 0 HD3 PRO C1927 18.560 2.403 2.332 1.00 0.41 H new ATOM 494 N PHE C1928 16.303 4.649 -0.560 1.00 0.30 N ATOM 495 CA PHE C1928 15.081 4.639 -1.334 1.00 0.27 C ATOM 496 C PHE C1928 14.043 5.535 -0.684 1.00 0.27 C ATOM 497 O PHE C1928 13.829 5.468 0.526 1.00 0.31 O ATOM 498 CB PHE C1928 14.599 3.186 -1.482 1.00 0.24 C ATOM 499 CG PHE C1928 13.273 2.848 -0.892 1.00 0.23 C ATOM 500 CD1 PHE C1928 12.162 3.532 -1.309 1.00 0.30 C ATOM 501 CD2 PHE C1928 13.135 1.887 0.084 1.00 0.26 C ATOM 502 CE1 PHE C1928 10.928 3.261 -0.771 1.00 0.33 C ATOM 503 CE2 PHE C1928 11.915 1.611 0.624 1.00 0.29 C ATOM 504 CZ PHE C1928 10.845 2.153 0.194 1.00 0.27 C ATOM 0 H PHE C1928 16.159 4.699 0.449 1.00 0.30 H new ATOM 0 HA PHE C1928 15.257 5.039 -2.333 1.00 0.27 H new ATOM 0 HB2 PHE C1928 14.567 2.947 -2.545 1.00 0.24 H new ATOM 0 HB3 PHE C1928 15.347 2.534 -1.030 1.00 0.24 H new ATOM 0 HD1 PHE C1928 12.258 4.293 -2.069 1.00 0.30 H new ATOM 0 HD2 PHE C1928 14.005 1.345 0.426 1.00 0.26 H new ATOM 0 HE1 PHE C1928 10.056 3.836 -1.044 1.00 0.33 H new ATOM 0 HE2 PHE C1928 11.853 0.910 1.443 1.00 0.29 H new ATOM 0 HZ PHE C1928 9.883 1.801 0.536 1.00 0.27 H new ATOM 514 N VAL C1929 13.390 6.344 -1.511 1.00 0.25 N ATOM 515 CA VAL C1929 12.471 7.388 -1.067 1.00 0.25 C ATOM 516 C VAL C1929 11.679 7.918 -2.245 1.00 0.25 C ATOM 517 O VAL C1929 12.085 7.759 -3.392 1.00 0.27 O ATOM 518 CB VAL C1929 13.233 8.578 -0.479 1.00 0.29 C ATOM 519 CG1 VAL C1929 13.706 8.278 0.917 1.00 0.62 C ATOM 520 CG2 VAL C1929 14.402 8.887 -1.383 1.00 0.62 C ATOM 0 H VAL C1929 13.485 6.293 -2.525 1.00 0.25 H new ATOM 0 HA VAL C1929 11.819 6.943 -0.315 1.00 0.25 H new ATOM 0 HB VAL C1929 12.572 9.442 -0.418 1.00 0.29 H new ATOM 0 HG11 VAL C1929 14.244 9.140 1.312 1.00 0.62 H new ATOM 0 HG12 VAL C1929 12.848 8.064 1.554 1.00 0.62 H new ATOM 0 HG13 VAL C1929 14.369 7.413 0.898 1.00 0.62 H new ATOM 0 HG21 VAL C1929 14.959 9.733 -0.981 1.00 0.62 H new ATOM 0 HG22 VAL C1929 15.056 8.017 -1.442 1.00 0.62 H new ATOM 0 HG23 VAL C1929 14.036 9.134 -2.380 1.00 0.62 H new ATOM 530 N VAL C1930 10.576 8.584 -1.970 1.00 0.26 N ATOM 531 CA VAL C1930 9.816 9.208 -3.031 1.00 0.26 C ATOM 532 C VAL C1930 10.469 10.525 -3.448 1.00 0.29 C ATOM 533 O VAL C1930 10.737 11.389 -2.614 1.00 0.32 O ATOM 534 CB VAL C1930 8.357 9.474 -2.627 1.00 0.28 C ATOM 535 CG1 VAL C1930 7.597 10.127 -3.771 1.00 0.34 C ATOM 536 CG2 VAL C1930 7.680 8.186 -2.204 1.00 0.32 C ATOM 0 H VAL C1930 10.191 8.706 -1.034 1.00 0.26 H new ATOM 0 HA VAL C1930 9.812 8.510 -3.868 1.00 0.26 H new ATOM 0 HB VAL C1930 8.354 10.158 -1.779 1.00 0.28 H new ATOM 0 HG11 VAL C1930 6.566 10.308 -3.467 1.00 0.34 H new ATOM 0 HG12 VAL C1930 8.071 11.074 -4.029 1.00 0.34 H new ATOM 0 HG13 VAL C1930 7.609 9.468 -4.639 1.00 0.34 H new ATOM 0 HG21 VAL C1930 6.648 8.393 -1.921 1.00 0.32 H new ATOM 0 HG22 VAL C1930 7.694 7.478 -3.033 1.00 0.32 H new ATOM 0 HG23 VAL C1930 8.210 7.759 -1.353 1.00 0.32 H new ATOM 546 N PRO C1931 10.762 10.668 -4.741 1.00 0.34 N ATOM 547 CA PRO C1931 11.280 11.907 -5.322 1.00 0.42 C ATOM 548 C PRO C1931 10.165 12.910 -5.590 1.00 0.45 C ATOM 549 O PRO C1931 8.993 12.608 -5.370 1.00 0.45 O ATOM 550 CB PRO C1931 11.898 11.434 -6.634 1.00 0.56 C ATOM 551 CG PRO C1931 11.047 10.281 -7.038 1.00 0.48 C ATOM 552 CD PRO C1931 10.616 9.612 -5.757 1.00 0.36 C ATOM 0 HA PRO C1931 11.981 12.420 -4.664 1.00 0.42 H new ATOM 0 HB2 PRO C1931 11.887 12.222 -7.387 1.00 0.56 H new ATOM 0 HB3 PRO C1931 12.938 11.135 -6.501 1.00 0.56 H new ATOM 0 HG2 PRO C1931 10.183 10.616 -7.613 1.00 0.48 H new ATOM 0 HG3 PRO C1931 11.602 9.589 -7.671 1.00 0.48 H new ATOM 0 HD2 PRO C1931 9.588 9.256 -5.818 1.00 0.36 H new ATOM 0 HD3 PRO C1931 11.240 8.748 -5.528 1.00 0.36 H new ATOM 560 N ARG C1932 10.530 14.118 -6.002 1.00 0.54 N ATOM 561 CA ARG C1932 9.543 15.093 -6.461 1.00 0.70 C ATOM 562 C ARG C1932 8.649 14.454 -7.524 1.00 0.89 C ATOM 563 O ARG C1932 9.149 13.961 -8.540 1.00 1.79 O ATOM 564 CB ARG C1932 10.243 16.325 -7.039 1.00 0.83 C ATOM 565 CG ARG C1932 11.113 17.063 -6.034 1.00 1.53 C ATOM 566 CD ARG C1932 10.381 18.233 -5.387 1.00 2.00 C ATOM 567 NE ARG C1932 9.168 17.834 -4.672 1.00 2.79 N ATOM 568 CZ ARG C1932 8.987 18.016 -3.363 1.00 3.62 C ATOM 569 NH1 ARG C1932 9.993 18.428 -2.600 1.00 3.88 N ATOM 570 NH2 ARG C1932 7.808 17.750 -2.813 1.00 4.56 N ATOM 0 H ARG C1932 11.495 14.446 -6.029 1.00 0.54 H new ATOM 0 HA ARG C1932 8.932 15.405 -5.614 1.00 0.70 H new ATOM 0 HB2 ARG C1932 10.860 16.018 -7.884 1.00 0.83 H new ATOM 0 HB3 ARG C1932 9.490 17.011 -7.427 1.00 0.83 H new ATOM 0 HG2 ARG C1932 11.440 16.368 -5.260 1.00 1.53 H new ATOM 0 HG3 ARG C1932 12.010 17.429 -6.533 1.00 1.53 H new ATOM 0 HD2 ARG C1932 11.055 18.735 -4.693 1.00 2.00 H new ATOM 0 HD3 ARG C1932 10.118 18.959 -6.157 1.00 2.00 H new ATOM 0 HE ARG C1932 8.419 17.392 -5.205 1.00 2.79 H new ATOM 0 HH11 ARG C1932 10.908 18.606 -3.015 1.00 3.88 H new ATOM 0 HH12 ARG C1932 9.851 18.566 -1.599 1.00 3.88 H new ATOM 0 HH21 ARG C1932 7.041 17.407 -3.391 1.00 4.56 H new ATOM 0 HH22 ARG C1932 7.669 17.889 -1.812 1.00 4.56 H new ATOM 584 N ARG C1933 7.337 14.460 -7.277 1.00 0.74 N ATOM 585 CA ARG C1933 6.369 13.777 -8.142 1.00 0.76 C ATOM 586 C ARG C1933 6.587 12.266 -8.105 1.00 0.65 C ATOM 587 O ARG C1933 7.155 11.730 -7.162 1.00 0.69 O ATOM 588 CB ARG C1933 6.479 14.255 -9.593 1.00 0.95 C ATOM 589 CG ARG C1933 6.119 15.708 -9.817 1.00 1.66 C ATOM 590 CD ARG C1933 6.165 16.033 -11.299 1.00 1.80 C ATOM 591 NE ARG C1933 5.226 15.206 -12.063 1.00 2.56 N ATOM 592 CZ ARG C1933 4.907 15.420 -13.339 1.00 2.86 C ATOM 593 NH1 ARG C1933 5.484 16.402 -14.017 1.00 2.53 N ATOM 594 NH2 ARG C1933 4.026 14.633 -13.946 1.00 3.92 N ATOM 0 H ARG C1933 6.917 14.935 -6.478 1.00 0.74 H new ATOM 0 HA ARG C1933 5.376 14.018 -7.763 1.00 0.76 H new ATOM 0 HB2 ARG C1933 7.500 14.092 -9.937 1.00 0.95 H new ATOM 0 HB3 ARG C1933 5.831 13.636 -10.214 1.00 0.95 H new ATOM 0 HG2 ARG C1933 5.123 15.909 -9.423 1.00 1.66 H new ATOM 0 HG3 ARG C1933 6.812 16.351 -9.274 1.00 1.66 H new ATOM 0 HD2 ARG C1933 5.928 17.086 -11.448 1.00 1.80 H new ATOM 0 HD3 ARG C1933 7.176 15.878 -11.675 1.00 1.80 H new ATOM 0 HE ARG C1933 4.789 14.416 -11.588 1.00 2.56 H new ATOM 0 HH11 ARG C1933 6.176 16.998 -13.562 1.00 2.53 H new ATOM 0 HH12 ARG C1933 5.236 16.562 -14.994 1.00 2.53 H new ATOM 0 HH21 ARG C1933 3.593 13.864 -13.435 1.00 3.92 H new ATOM 0 HH22 ARG C1933 3.783 14.798 -14.923 1.00 3.92 H new ATOM 654 N ALA A 2 1.700 -2.344 -17.456 1.00 0.37 N ATOM 655 CA ALA A 2 2.400 -1.204 -16.899 1.00 0.33 C ATOM 656 C ALA A 2 3.424 -1.726 -15.905 1.00 0.30 C ATOM 657 O ALA A 2 3.414 -2.918 -15.601 1.00 0.39 O ATOM 658 CB ALA A 2 1.425 -0.260 -16.216 1.00 0.33 C ATOM 0 HA ALA A 2 2.897 -0.644 -17.691 1.00 0.33 H new ATOM 0 HB1 ALA A 2 1.969 0.590 -15.804 1.00 0.33 H new ATOM 0 HB2 ALA A 2 0.693 0.095 -16.942 1.00 0.33 H new ATOM 0 HB3 ALA A 2 0.912 -0.787 -15.411 1.00 0.33 H new ATOM 664 N CYS A 3 4.299 -0.861 -15.404 1.00 0.29 N ATOM 665 CA CYS A 3 5.237 -1.257 -14.371 1.00 0.27 C ATOM 666 C CYS A 3 4.466 -1.526 -13.088 1.00 0.22 C ATOM 667 O CYS A 3 4.005 -0.599 -12.419 1.00 0.21 O ATOM 668 CB CYS A 3 6.299 -0.178 -14.160 1.00 0.32 C ATOM 669 SG CYS A 3 7.290 0.166 -15.631 1.00 0.43 S ATOM 0 H CYS A 3 4.375 0.113 -15.697 1.00 0.29 H new ATOM 0 HA CYS A 3 5.757 -2.165 -14.676 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.810 0.742 -13.839 1.00 0.32 H new ATOM 0 HB3 CYS A 3 6.961 -0.486 -13.351 1.00 0.32 H new ATOM 0 HG CYS A 3 8.161 1.093 -15.361 1.00 0.43 H new ATOM 675 N PRO A 4 4.307 -2.812 -12.751 1.00 0.20 N ATOM 676 CA PRO A 4 3.382 -3.270 -11.707 1.00 0.18 C ATOM 677 C PRO A 4 3.541 -2.541 -10.383 1.00 0.16 C ATOM 678 O PRO A 4 2.628 -1.846 -9.933 1.00 0.16 O ATOM 679 CB PRO A 4 3.781 -4.733 -11.541 1.00 0.21 C ATOM 680 CG PRO A 4 4.263 -5.126 -12.887 1.00 0.24 C ATOM 681 CD PRO A 4 5.029 -3.939 -13.374 1.00 0.24 C ATOM 0 HA PRO A 4 2.343 -3.095 -11.987 1.00 0.18 H new ATOM 0 HB2 PRO A 4 4.560 -4.852 -10.787 1.00 0.21 H new ATOM 0 HB3 PRO A 4 2.936 -5.344 -11.225 1.00 0.21 H new ATOM 0 HG2 PRO A 4 4.895 -6.013 -12.839 1.00 0.24 H new ATOM 0 HG3 PRO A 4 3.432 -5.362 -13.552 1.00 0.24 H new ATOM 0 HD2 PRO A 4 6.073 -3.974 -13.062 1.00 0.24 H new ATOM 0 HD3 PRO A 4 5.024 -3.872 -14.462 1.00 0.24 H new ATOM 689 N LEU A 5 4.708 -2.673 -9.776 1.00 0.16 N ATOM 690 CA LEU A 5 4.933 -2.111 -8.459 1.00 0.17 C ATOM 691 C LEU A 5 5.009 -0.591 -8.543 1.00 0.19 C ATOM 692 O LEU A 5 4.640 0.104 -7.604 1.00 0.24 O ATOM 693 CB LEU A 5 6.207 -2.698 -7.846 1.00 0.17 C ATOM 694 CG LEU A 5 6.107 -3.090 -6.367 1.00 0.18 C ATOM 695 CD1 LEU A 5 5.993 -1.865 -5.485 1.00 0.20 C ATOM 696 CD2 LEU A 5 4.921 -4.013 -6.134 1.00 0.20 C ATOM 0 H LEU A 5 5.510 -3.162 -10.173 1.00 0.16 H new ATOM 0 HA LEU A 5 4.096 -2.371 -7.811 1.00 0.17 H new ATOM 0 HB2 LEU A 5 6.492 -3.580 -8.419 1.00 0.17 H new ATOM 0 HB3 LEU A 5 7.012 -1.971 -7.958 1.00 0.17 H new ATOM 0 HG LEU A 5 7.022 -3.620 -6.102 1.00 0.18 H new ATOM 0 HD11 LEU A 5 5.924 -2.173 -4.442 1.00 0.20 H new ATOM 0 HD12 LEU A 5 6.873 -1.236 -5.620 1.00 0.20 H new ATOM 0 HD13 LEU A 5 5.100 -1.302 -5.757 1.00 0.20 H new ATOM 0 HD21 LEU A 5 4.869 -4.279 -5.078 1.00 0.20 H new ATOM 0 HD22 LEU A 5 4.002 -3.505 -6.426 1.00 0.20 H new ATOM 0 HD23 LEU A 5 5.041 -4.917 -6.730 1.00 0.20 H new ATOM 708 N GLU A 6 5.460 -0.083 -9.686 1.00 0.19 N ATOM 709 CA GLU A 6 5.481 1.353 -9.918 1.00 0.23 C ATOM 710 C GLU A 6 4.076 1.922 -9.799 1.00 0.21 C ATOM 711 O GLU A 6 3.831 2.880 -9.063 1.00 0.25 O ATOM 712 CB GLU A 6 6.032 1.678 -11.306 1.00 0.32 C ATOM 713 CG GLU A 6 5.963 3.159 -11.651 1.00 0.47 C ATOM 714 CD GLU A 6 6.045 3.412 -13.140 1.00 0.90 C ATOM 715 OE1 GLU A 6 5.013 3.266 -13.828 1.00 1.39 O ATOM 716 OE2 GLU A 6 7.136 3.761 -13.633 1.00 1.78 O ATOM 0 H GLU A 6 5.814 -0.643 -10.461 1.00 0.19 H new ATOM 0 HA GLU A 6 6.129 1.802 -9.166 1.00 0.23 H new ATOM 0 HB2 GLU A 6 7.069 1.347 -11.364 1.00 0.32 H new ATOM 0 HB3 GLU A 6 5.474 1.112 -12.052 1.00 0.32 H new ATOM 0 HG2 GLU A 6 5.032 3.575 -11.266 1.00 0.47 H new ATOM 0 HG3 GLU A 6 6.778 3.683 -11.151 1.00 0.47 H new ATOM 723 N LYS A 7 3.158 1.303 -10.532 1.00 0.18 N ATOM 724 CA LYS A 7 1.775 1.734 -10.559 1.00 0.20 C ATOM 725 C LYS A 7 1.156 1.678 -9.172 1.00 0.17 C ATOM 726 O LYS A 7 0.386 2.553 -8.814 1.00 0.19 O ATOM 727 CB LYS A 7 0.965 0.880 -11.541 1.00 0.26 C ATOM 728 CG LYS A 7 1.261 1.166 -13.011 1.00 0.41 C ATOM 729 CD LYS A 7 0.536 2.410 -13.510 1.00 0.90 C ATOM 730 CE LYS A 7 1.191 3.701 -13.037 1.00 0.83 C ATOM 731 NZ LYS A 7 2.426 4.025 -13.800 1.00 1.16 N ATOM 0 H LYS A 7 3.355 0.493 -11.120 1.00 0.18 H new ATOM 0 HA LYS A 7 1.753 2.770 -10.897 1.00 0.20 H new ATOM 0 HB2 LYS A 7 1.165 -0.173 -11.340 1.00 0.26 H new ATOM 0 HB3 LYS A 7 -0.097 1.044 -11.357 1.00 0.26 H new ATOM 0 HG2 LYS A 7 2.335 1.294 -13.146 1.00 0.41 H new ATOM 0 HG3 LYS A 7 0.964 0.308 -13.614 1.00 0.41 H new ATOM 0 HD2 LYS A 7 0.511 2.398 -14.600 1.00 0.90 H new ATOM 0 HD3 LYS A 7 -0.498 2.385 -13.167 1.00 0.90 H new ATOM 0 HE2 LYS A 7 0.481 4.522 -13.135 1.00 0.83 H new ATOM 0 HE3 LYS A 7 1.434 3.615 -11.978 1.00 0.83 H new ATOM 0 HZ1 LYS A 7 2.654 5.033 -13.680 1.00 1.16 H new ATOM 0 HZ2 LYS A 7 3.215 3.447 -13.445 1.00 1.16 H new ATOM 0 HZ3 LYS A 7 2.274 3.822 -14.809 1.00 1.16 H new ATOM 745 N ALA A 8 1.519 0.668 -8.389 1.00 0.18 N ATOM 746 CA ALA A 8 0.964 0.490 -7.046 1.00 0.19 C ATOM 747 C ALA A 8 0.995 1.784 -6.233 1.00 0.17 C ATOM 748 O ALA A 8 -0.028 2.202 -5.695 1.00 0.21 O ATOM 749 CB ALA A 8 1.707 -0.611 -6.309 1.00 0.20 C ATOM 0 H ALA A 8 2.197 -0.044 -8.660 1.00 0.18 H new ATOM 0 HA ALA A 8 -0.081 0.204 -7.163 1.00 0.19 H new ATOM 0 HB1 ALA A 8 1.283 -0.732 -5.312 1.00 0.20 H new ATOM 0 HB2 ALA A 8 1.611 -1.547 -6.860 1.00 0.20 H new ATOM 0 HB3 ALA A 8 2.761 -0.346 -6.225 1.00 0.20 H new ATOM 755 N LEU A 9 2.155 2.425 -6.156 1.00 0.14 N ATOM 756 CA LEU A 9 2.280 3.669 -5.397 1.00 0.14 C ATOM 757 C LEU A 9 1.692 4.836 -6.175 1.00 0.13 C ATOM 758 O LEU A 9 1.019 5.701 -5.609 1.00 0.16 O ATOM 759 CB LEU A 9 3.744 3.974 -5.044 1.00 0.15 C ATOM 760 CG LEU A 9 4.473 2.902 -4.232 1.00 0.16 C ATOM 761 CD1 LEU A 9 3.578 2.369 -3.132 1.00 0.19 C ATOM 762 CD2 LEU A 9 4.955 1.769 -5.116 1.00 0.15 C ATOM 0 H LEU A 9 3.016 2.110 -6.604 1.00 0.14 H new ATOM 0 HA LEU A 9 1.723 3.535 -4.470 1.00 0.14 H new ATOM 0 HB2 LEU A 9 4.294 4.137 -5.971 1.00 0.15 H new ATOM 0 HB3 LEU A 9 3.775 4.909 -4.485 1.00 0.15 H new ATOM 0 HG LEU A 9 5.348 3.367 -3.779 1.00 0.16 H new ATOM 0 HD11 LEU A 9 4.113 1.607 -2.565 1.00 0.19 H new ATOM 0 HD12 LEU A 9 3.294 3.184 -2.467 1.00 0.19 H new ATOM 0 HD13 LEU A 9 2.682 1.931 -3.572 1.00 0.19 H new ATOM 0 HD21 LEU A 9 5.468 1.025 -4.507 1.00 0.15 H new ATOM 0 HD22 LEU A 9 4.102 1.306 -5.611 1.00 0.15 H new ATOM 0 HD23 LEU A 9 5.642 2.160 -5.866 1.00 0.15 H new ATOM 774 N ASP A 10 1.945 4.840 -7.478 1.00 0.14 N ATOM 775 CA ASP A 10 1.450 5.883 -8.374 1.00 0.15 C ATOM 776 C ASP A 10 -0.061 6.026 -8.266 1.00 0.15 C ATOM 777 O ASP A 10 -0.589 7.123 -8.081 1.00 0.18 O ATOM 778 CB ASP A 10 1.840 5.544 -9.818 1.00 0.19 C ATOM 779 CG ASP A 10 1.285 6.522 -10.840 1.00 0.48 C ATOM 780 OD1 ASP A 10 0.120 6.354 -11.261 1.00 1.18 O ATOM 781 OD2 ASP A 10 2.030 7.425 -11.267 1.00 1.19 O ATOM 0 H ASP A 10 2.499 4.122 -7.945 1.00 0.14 H new ATOM 0 HA ASP A 10 1.901 6.832 -8.084 1.00 0.15 H new ATOM 0 HB2 ASP A 10 2.927 5.525 -9.898 1.00 0.19 H new ATOM 0 HB3 ASP A 10 1.485 4.541 -10.056 1.00 0.19 H new ATOM 786 N VAL A 11 -0.749 4.901 -8.343 1.00 0.16 N ATOM 787 CA VAL A 11 -2.197 4.896 -8.400 1.00 0.18 C ATOM 788 C VAL A 11 -2.823 5.161 -7.039 1.00 0.18 C ATOM 789 O VAL A 11 -3.990 5.532 -6.965 1.00 0.23 O ATOM 790 CB VAL A 11 -2.738 3.571 -8.961 1.00 0.20 C ATOM 791 CG1 VAL A 11 -2.079 3.271 -10.293 1.00 0.23 C ATOM 792 CG2 VAL A 11 -2.529 2.431 -7.979 1.00 0.18 C ATOM 0 H VAL A 11 -0.324 3.974 -8.368 1.00 0.16 H new ATOM 0 HA VAL A 11 -2.476 5.706 -9.074 1.00 0.18 H new ATOM 0 HB VAL A 11 -3.812 3.671 -9.115 1.00 0.20 H new ATOM 0 HG11 VAL A 11 -2.466 2.331 -10.687 1.00 0.23 H new ATOM 0 HG12 VAL A 11 -2.296 4.075 -10.996 1.00 0.23 H new ATOM 0 HG13 VAL A 11 -1.001 3.191 -10.156 1.00 0.23 H new ATOM 0 HG21 VAL A 11 -2.922 1.508 -8.404 1.00 0.18 H new ATOM 0 HG22 VAL A 11 -1.464 2.314 -7.779 1.00 0.18 H new ATOM 0 HG23 VAL A 11 -3.051 2.652 -7.048 1.00 0.18 H new ATOM 802 N MET A 12 -2.064 4.971 -5.962 1.00 0.16 N ATOM 803 CA MET A 12 -2.587 5.260 -4.630 1.00 0.20 C ATOM 804 C MET A 12 -2.914 6.737 -4.508 1.00 0.24 C ATOM 805 O MET A 12 -3.966 7.103 -3.996 1.00 0.40 O ATOM 806 CB MET A 12 -1.608 4.876 -3.522 1.00 0.25 C ATOM 807 CG MET A 12 -1.426 3.383 -3.333 1.00 0.17 C ATOM 808 SD MET A 12 -0.690 2.983 -1.740 1.00 0.72 S ATOM 809 CE MET A 12 -0.472 1.224 -1.913 1.00 0.19 C ATOM 0 H MET A 12 -1.105 4.625 -5.983 1.00 0.16 H new ATOM 0 HA MET A 12 -3.487 4.658 -4.507 1.00 0.20 H new ATOM 0 HB2 MET A 12 -0.638 5.323 -3.741 1.00 0.25 H new ATOM 0 HB3 MET A 12 -1.954 5.309 -2.583 1.00 0.25 H new ATOM 0 HG2 MET A 12 -2.393 2.887 -3.419 1.00 0.17 H new ATOM 0 HG3 MET A 12 -0.795 2.992 -4.131 1.00 0.17 H new ATOM 0 HE1 MET A 12 -0.158 0.801 -0.959 1.00 0.19 H new ATOM 0 HE2 MET A 12 -1.414 0.769 -2.219 1.00 0.19 H new ATOM 0 HE3 MET A 12 0.289 1.024 -2.667 1.00 0.19 H new ATOM 819 N VAL A 13 -2.014 7.581 -4.993 1.00 0.17 N ATOM 820 CA VAL A 13 -2.228 9.020 -4.946 1.00 0.19 C ATOM 821 C VAL A 13 -2.955 9.508 -6.204 1.00 0.20 C ATOM 822 O VAL A 13 -3.548 10.586 -6.210 1.00 0.28 O ATOM 823 CB VAL A 13 -0.904 9.798 -4.762 1.00 0.18 C ATOM 824 CG1 VAL A 13 -0.294 9.511 -3.399 1.00 0.21 C ATOM 825 CG2 VAL A 13 0.091 9.460 -5.854 1.00 0.19 C ATOM 0 H VAL A 13 -1.133 7.296 -5.421 1.00 0.17 H new ATOM 0 HA VAL A 13 -2.854 9.218 -4.076 1.00 0.19 H new ATOM 0 HB VAL A 13 -1.138 10.860 -4.828 1.00 0.18 H new ATOM 0 HG11 VAL A 13 0.636 10.069 -3.292 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -0.991 9.814 -2.617 1.00 0.21 H new ATOM 0 HG13 VAL A 13 -0.090 8.444 -3.309 1.00 0.21 H new ATOM 0 HG21 VAL A 13 1.011 10.023 -5.695 1.00 0.19 H new ATOM 0 HG22 VAL A 13 0.310 8.393 -5.829 1.00 0.19 H new ATOM 0 HG23 VAL A 13 -0.331 9.721 -6.824 1.00 0.19 H new ATOM 835 N SER A 14 -2.919 8.702 -7.258 1.00 0.19 N ATOM 836 CA SER A 14 -3.601 9.035 -8.506 1.00 0.22 C ATOM 837 C SER A 14 -5.104 8.769 -8.391 1.00 0.24 C ATOM 838 O SER A 14 -5.916 9.689 -8.512 1.00 0.28 O ATOM 839 CB SER A 14 -3.007 8.229 -9.662 1.00 0.24 C ATOM 840 OG SER A 14 -3.672 8.501 -10.881 1.00 1.12 O ATOM 0 H SER A 14 -2.424 7.810 -7.275 1.00 0.19 H new ATOM 0 HA SER A 14 -3.456 10.097 -8.705 1.00 0.22 H new ATOM 0 HB2 SER A 14 -1.948 8.464 -9.764 1.00 0.24 H new ATOM 0 HB3 SER A 14 -3.077 7.165 -9.438 1.00 0.24 H new ATOM 0 HG SER A 14 -3.267 7.972 -11.600 1.00 1.12 H new ATOM 846 N THR A 15 -5.466 7.513 -8.139 1.00 0.25 N ATOM 847 CA THR A 15 -6.863 7.120 -7.985 1.00 0.28 C ATOM 848 C THR A 15 -7.480 7.854 -6.797 1.00 0.30 C ATOM 849 O THR A 15 -8.687 8.089 -6.750 1.00 0.33 O ATOM 850 CB THR A 15 -6.993 5.598 -7.801 1.00 0.28 C ATOM 851 OG1 THR A 15 -6.068 4.935 -8.672 1.00 0.34 O ATOM 852 CG2 THR A 15 -8.403 5.118 -8.113 1.00 0.26 C ATOM 0 H THR A 15 -4.803 6.744 -8.037 1.00 0.25 H new ATOM 0 HA THR A 15 -7.400 7.394 -8.893 1.00 0.28 H new ATOM 0 HB THR A 15 -6.773 5.362 -6.760 1.00 0.28 H new ATOM 0 HG1 THR A 15 -5.174 4.948 -8.271 1.00 0.34 H new ATOM 0 HG21 THR A 15 -8.459 4.039 -7.973 1.00 0.26 H new ATOM 0 HG22 THR A 15 -9.111 5.608 -7.444 1.00 0.26 H new ATOM 0 HG23 THR A 15 -8.651 5.363 -9.146 1.00 0.26 H new ATOM 860 N PHE A 16 -6.622 8.199 -5.842 1.00 0.31 N ATOM 861 CA PHE A 16 -6.981 9.071 -4.733 1.00 0.37 C ATOM 862 C PHE A 16 -7.710 10.307 -5.258 1.00 0.42 C ATOM 863 O PHE A 16 -8.916 10.451 -5.071 1.00 0.54 O ATOM 864 CB PHE A 16 -5.699 9.478 -4.003 1.00 0.45 C ATOM 865 CG PHE A 16 -5.893 10.232 -2.722 1.00 0.36 C ATOM 866 CD1 PHE A 16 -6.110 9.551 -1.536 1.00 1.26 C ATOM 867 CD2 PHE A 16 -5.828 11.613 -2.697 1.00 1.24 C ATOM 868 CE1 PHE A 16 -6.265 10.236 -0.349 1.00 1.43 C ATOM 869 CE2 PHE A 16 -5.979 12.304 -1.512 1.00 1.39 C ATOM 870 CZ PHE A 16 -6.198 11.613 -0.337 1.00 0.99 C ATOM 0 H PHE A 16 -5.654 7.879 -5.817 1.00 0.31 H new ATOM 0 HA PHE A 16 -7.646 8.550 -4.045 1.00 0.37 H new ATOM 0 HB2 PHE A 16 -5.123 8.578 -3.790 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -5.098 10.090 -4.676 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -6.158 8.472 -1.541 1.00 1.26 H new ATOM 0 HD2 PHE A 16 -5.657 12.157 -3.614 1.00 1.24 H new ATOM 0 HE1 PHE A 16 -6.439 9.695 0.569 1.00 1.43 H new ATOM 0 HE2 PHE A 16 -5.926 13.383 -1.504 1.00 1.39 H new ATOM 0 HZ PHE A 16 -6.317 12.151 0.592 1.00 0.99 H new ATOM 880 N HIS A 17 -6.969 11.162 -5.966 1.00 0.44 N ATOM 881 CA HIS A 17 -7.526 12.387 -6.549 1.00 0.54 C ATOM 882 C HIS A 17 -8.610 12.078 -7.570 1.00 0.47 C ATOM 883 O HIS A 17 -9.478 12.909 -7.840 1.00 0.52 O ATOM 884 CB HIS A 17 -6.428 13.202 -7.235 1.00 0.72 C ATOM 885 CG HIS A 17 -5.515 13.909 -6.292 1.00 1.09 C ATOM 886 ND1 HIS A 17 -4.464 13.460 -5.568 1.00 2.16 N flip ATOM 887 CD2 HIS A 17 -5.634 15.244 -6.005 1.00 1.23 C flip ATOM 888 CE1 HIS A 17 -3.975 14.526 -4.860 1.00 2.80 C flip ATOM 889 NE2 HIS A 17 -4.701 15.589 -5.149 1.00 2.27 N flip ATOM 0 H HIS A 17 -5.975 11.028 -6.151 1.00 0.44 H new ATOM 0 HA HIS A 17 -7.962 12.960 -5.731 1.00 0.54 H new ATOM 0 HB2 HIS A 17 -5.838 12.537 -7.866 1.00 0.72 H new ATOM 0 HB3 HIS A 17 -6.893 13.936 -7.893 1.00 0.72 H new ATOM 0 HD1 HIS A 17 -4.103 12.506 -5.552 1.00 2.16 H new ATOM 0 HD2 HIS A 17 -6.379 15.908 -6.418 1.00 1.23 H new ATOM 0 HE1 HIS A 17 -3.136 14.500 -4.180 1.00 2.80 H new ATOM 898 N LYS A 18 -8.538 10.889 -8.145 1.00 0.43 N ATOM 899 CA LYS A 18 -9.479 10.460 -9.168 1.00 0.46 C ATOM 900 C LYS A 18 -10.905 10.398 -8.615 1.00 0.44 C ATOM 901 O LYS A 18 -11.861 10.670 -9.336 1.00 0.62 O ATOM 902 CB LYS A 18 -9.045 9.095 -9.717 1.00 0.55 C ATOM 903 CG LYS A 18 -9.925 8.536 -10.825 1.00 0.77 C ATOM 904 CD LYS A 18 -9.418 7.176 -11.292 1.00 0.73 C ATOM 905 CE LYS A 18 -10.365 6.535 -12.295 1.00 1.41 C ATOM 906 NZ LYS A 18 -9.898 5.192 -12.735 1.00 1.69 N ATOM 0 H LYS A 18 -7.827 10.194 -7.917 1.00 0.43 H new ATOM 0 HA LYS A 18 -9.477 11.189 -9.978 1.00 0.46 H new ATOM 0 HB2 LYS A 18 -8.025 9.179 -10.092 1.00 0.55 H new ATOM 0 HB3 LYS A 18 -9.024 8.380 -8.895 1.00 0.55 H new ATOM 0 HG2 LYS A 18 -10.950 8.443 -10.468 1.00 0.77 H new ATOM 0 HG3 LYS A 18 -9.942 9.230 -11.665 1.00 0.77 H new ATOM 0 HD2 LYS A 18 -8.433 7.291 -11.744 1.00 0.73 H new ATOM 0 HD3 LYS A 18 -9.299 6.517 -10.432 1.00 0.73 H new ATOM 0 HE2 LYS A 18 -11.356 6.445 -11.849 1.00 1.41 H new ATOM 0 HE3 LYS A 18 -10.465 7.185 -13.164 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 -10.630 4.746 -13.323 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -9.023 5.293 -13.288 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -9.714 4.598 -11.901 1.00 1.69 H new ATOM 920 N TYR A 19 -11.048 10.068 -7.332 1.00 0.37 N ATOM 921 CA TYR A 19 -12.377 9.901 -6.748 1.00 0.41 C ATOM 922 C TYR A 19 -12.637 10.822 -5.557 1.00 0.48 C ATOM 923 O TYR A 19 -13.774 11.216 -5.341 1.00 0.73 O ATOM 924 CB TYR A 19 -12.600 8.445 -6.336 1.00 0.43 C ATOM 925 CG TYR A 19 -12.702 7.509 -7.516 1.00 0.38 C ATOM 926 CD1 TYR A 19 -13.908 7.329 -8.179 1.00 1.18 C ATOM 927 CD2 TYR A 19 -11.592 6.821 -7.978 1.00 1.14 C ATOM 928 CE1 TYR A 19 -14.000 6.490 -9.271 1.00 1.21 C ATOM 929 CE2 TYR A 19 -11.679 5.978 -9.067 1.00 1.14 C ATOM 930 CZ TYR A 19 -12.883 5.817 -9.709 1.00 0.48 C ATOM 931 OH TYR A 19 -12.969 4.995 -10.805 1.00 0.59 O ATOM 0 H TYR A 19 -10.274 9.913 -6.687 1.00 0.37 H new ATOM 0 HA TYR A 19 -13.088 10.182 -7.525 1.00 0.41 H new ATOM 0 HB2 TYR A 19 -11.779 8.125 -5.695 1.00 0.43 H new ATOM 0 HB3 TYR A 19 -13.513 8.376 -5.744 1.00 0.43 H new ATOM 0 HD1 TYR A 19 -14.787 7.853 -7.835 1.00 1.18 H new ATOM 0 HD2 TYR A 19 -10.643 6.946 -7.478 1.00 1.14 H new ATOM 0 HE1 TYR A 19 -14.944 6.362 -9.779 1.00 1.21 H new ATOM 0 HE2 TYR A 19 -10.805 5.447 -9.413 1.00 1.14 H new ATOM 0 HH TYR A 19 -12.092 4.596 -10.984 1.00 0.59 H new ATOM 941 N SER A 20 -11.602 11.171 -4.796 1.00 0.38 N ATOM 942 CA SER A 20 -11.785 11.962 -3.576 1.00 0.45 C ATOM 943 C SER A 20 -12.474 13.295 -3.866 1.00 0.54 C ATOM 944 O SER A 20 -13.487 13.635 -3.253 1.00 0.68 O ATOM 945 CB SER A 20 -10.433 12.208 -2.902 1.00 0.47 C ATOM 946 OG SER A 20 -9.517 12.805 -3.806 1.00 0.52 O ATOM 0 H SER A 20 -10.634 10.922 -4.998 1.00 0.38 H new ATOM 0 HA SER A 20 -12.428 11.393 -2.905 1.00 0.45 H new ATOM 0 HB2 SER A 20 -10.567 12.854 -2.034 1.00 0.47 H new ATOM 0 HB3 SER A 20 -10.027 11.264 -2.537 1.00 0.47 H new ATOM 0 HG SER A 20 -9.219 12.137 -4.458 1.00 0.52 H new ATOM 952 N GLY A 21 -11.931 14.036 -4.821 1.00 0.54 N ATOM 953 CA GLY A 21 -12.451 15.353 -5.121 1.00 0.65 C ATOM 954 C GLY A 21 -13.594 15.335 -6.115 1.00 0.68 C ATOM 955 O GLY A 21 -13.685 16.215 -6.973 1.00 0.82 O ATOM 0 H GLY A 21 -11.138 13.747 -5.394 1.00 0.54 H new ATOM 0 HA2 GLY A 21 -12.790 15.821 -4.197 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -11.646 15.973 -5.515 1.00 0.65 H new ATOM 1057 N LYS A 28 -10.001 13.808 0.859 1.00 0.67 N ATOM 1058 CA LYS A 28 -10.836 12.942 1.667 1.00 0.64 C ATOM 1059 C LYS A 28 -11.780 12.143 0.798 1.00 0.48 C ATOM 1060 O LYS A 28 -12.610 12.701 0.082 1.00 0.54 O ATOM 1061 CB LYS A 28 -11.646 13.753 2.684 1.00 0.87 C ATOM 1062 CG LYS A 28 -10.811 14.453 3.747 1.00 1.00 C ATOM 1063 CD LYS A 28 -9.996 13.458 4.552 1.00 1.04 C ATOM 1064 CE LYS A 28 -9.366 14.104 5.778 1.00 1.55 C ATOM 1065 NZ LYS A 28 -10.391 14.597 6.742 1.00 2.03 N ATOM 0 HA LYS A 28 -10.177 12.259 2.203 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -12.231 14.501 2.149 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -12.355 13.088 3.177 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -10.144 15.173 3.273 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -11.465 15.015 4.414 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -10.636 12.632 4.864 1.00 1.04 H new ATOM 0 HD3 LYS A 28 -9.214 13.035 3.922 1.00 1.04 H new ATOM 0 HE2 LYS A 28 -8.719 13.382 6.276 1.00 1.55 H new ATOM 0 HE3 LYS A 28 -8.734 14.935 5.465 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 -9.921 15.104 7.519 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -11.045 15.242 6.254 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -10.923 13.790 7.126 1.00 2.03 H new ATOM 1079 N LEU A 29 -11.643 10.836 0.859 1.00 0.36 N ATOM 1080 CA LEU A 29 -12.600 9.957 0.213 1.00 0.32 C ATOM 1081 C LEU A 29 -13.626 9.499 1.228 1.00 0.34 C ATOM 1082 O LEU A 29 -13.310 8.729 2.135 1.00 0.40 O ATOM 1083 CB LEU A 29 -11.930 8.735 -0.423 1.00 0.30 C ATOM 1084 CG LEU A 29 -10.986 9.026 -1.589 1.00 0.30 C ATOM 1085 CD1 LEU A 29 -9.562 9.217 -1.096 1.00 0.32 C ATOM 1086 CD2 LEU A 29 -11.058 7.905 -2.615 1.00 0.33 C ATOM 0 H LEU A 29 -10.884 10.359 1.345 1.00 0.36 H new ATOM 0 HA LEU A 29 -13.079 10.522 -0.587 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -11.371 8.208 0.350 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -12.709 8.057 -0.771 1.00 0.30 H new ATOM 0 HG LEU A 29 -11.301 9.953 -2.067 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -8.908 9.423 -1.943 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -9.527 10.054 -0.399 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -9.227 8.311 -0.591 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -10.381 8.124 -3.441 1.00 0.33 H new ATOM 0 HD22 LEU A 29 -10.768 6.964 -2.147 1.00 0.33 H new ATOM 0 HD23 LEU A 29 -12.077 7.823 -2.993 1.00 0.33 H new ATOM 1098 N ASN A 30 -14.843 10.000 1.107 1.00 0.35 N ATOM 1099 CA ASN A 30 -15.919 9.550 1.969 1.00 0.35 C ATOM 1100 C ASN A 30 -16.452 8.217 1.454 1.00 0.31 C ATOM 1101 O ASN A 30 -15.914 7.665 0.488 1.00 0.29 O ATOM 1102 CB ASN A 30 -17.047 10.590 2.057 1.00 0.41 C ATOM 1103 CG ASN A 30 -17.916 10.650 0.816 1.00 0.62 C ATOM 1104 OD1 ASN A 30 -18.885 9.904 0.689 1.00 1.20 O ATOM 1105 ND2 ASN A 30 -17.594 11.548 -0.095 1.00 0.63 N ATOM 0 H ASN A 30 -15.108 10.712 0.427 1.00 0.35 H new ATOM 0 HA ASN A 30 -15.525 9.420 2.977 1.00 0.35 H new ATOM 0 HB2 ASN A 30 -17.674 10.361 2.919 1.00 0.41 H new ATOM 0 HB3 ASN A 30 -16.610 11.573 2.232 1.00 0.41 H new ATOM 0 HD21 ASN A 30 -18.157 11.641 -0.941 1.00 0.63 H new ATOM 0 HD22 ASN A 30 -16.782 12.149 0.046 1.00 0.63 H new ATOM 1112 N LYS A 31 -17.495 7.707 2.101 1.00 0.32 N ATOM 1113 CA LYS A 31 -18.092 6.418 1.740 1.00 0.31 C ATOM 1114 C LYS A 31 -18.310 6.289 0.230 1.00 0.30 C ATOM 1115 O LYS A 31 -17.870 5.318 -0.390 1.00 0.31 O ATOM 1116 CB LYS A 31 -19.438 6.240 2.449 1.00 0.35 C ATOM 1117 CG LYS A 31 -19.384 6.445 3.956 1.00 0.45 C ATOM 1118 CD LYS A 31 -20.760 6.276 4.590 1.00 0.56 C ATOM 1119 CE LYS A 31 -21.779 7.243 3.998 1.00 1.22 C ATOM 1120 NZ LYS A 31 -21.417 8.667 4.237 1.00 1.70 N ATOM 0 H LYS A 31 -17.951 8.170 2.887 1.00 0.32 H new ATOM 0 HA LYS A 31 -17.392 5.644 2.056 1.00 0.31 H new ATOM 0 HB2 LYS A 31 -20.155 6.942 2.024 1.00 0.35 H new ATOM 0 HB3 LYS A 31 -19.814 5.238 2.244 1.00 0.35 H new ATOM 0 HG2 LYS A 31 -18.688 5.731 4.397 1.00 0.45 H new ATOM 0 HG3 LYS A 31 -19.000 7.441 4.176 1.00 0.45 H new ATOM 0 HD2 LYS A 31 -21.104 5.252 4.445 1.00 0.56 H new ATOM 0 HD3 LYS A 31 -20.687 6.438 5.665 1.00 0.56 H new ATOM 0 HE2 LYS A 31 -21.862 7.067 2.925 1.00 1.22 H new ATOM 0 HE3 LYS A 31 -22.759 7.043 4.430 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 -22.188 9.281 3.906 1.00 1.70 H new ATOM 0 HZ2 LYS A 31 -21.264 8.820 5.254 1.00 1.70 H new ATOM 0 HZ3 LYS A 31 -20.546 8.896 3.718 1.00 1.70 H new ATOM 1134 N SER A 32 -18.963 7.283 -0.359 1.00 0.32 N ATOM 1135 CA SER A 32 -19.362 7.223 -1.761 1.00 0.34 C ATOM 1136 C SER A 32 -18.153 7.270 -2.702 1.00 0.31 C ATOM 1137 O SER A 32 -18.154 6.629 -3.756 1.00 0.34 O ATOM 1138 CB SER A 32 -20.331 8.369 -2.073 1.00 0.43 C ATOM 1139 OG SER A 32 -20.865 8.256 -3.380 1.00 1.29 O ATOM 0 H SER A 32 -19.229 8.146 0.115 1.00 0.32 H new ATOM 0 HA SER A 32 -19.863 6.269 -1.928 1.00 0.34 H new ATOM 0 HB2 SER A 32 -21.143 8.368 -1.346 1.00 0.43 H new ATOM 0 HB3 SER A 32 -19.813 9.323 -1.972 1.00 0.43 H new ATOM 0 HG SER A 32 -21.480 9.000 -3.548 1.00 1.29 H new ATOM 1145 N GLU A 33 -17.108 7.990 -2.305 1.00 0.30 N ATOM 1146 CA GLU A 33 -15.946 8.176 -3.165 1.00 0.31 C ATOM 1147 C GLU A 33 -15.146 6.891 -3.216 1.00 0.26 C ATOM 1148 O GLU A 33 -14.737 6.435 -4.285 1.00 0.27 O ATOM 1149 CB GLU A 33 -15.069 9.312 -2.641 1.00 0.37 C ATOM 1150 CG GLU A 33 -15.830 10.600 -2.372 1.00 0.51 C ATOM 1151 CD GLU A 33 -16.539 11.149 -3.596 1.00 0.88 C ATOM 1152 OE1 GLU A 33 -17.577 10.578 -4.002 1.00 1.46 O ATOM 1153 OE2 GLU A 33 -16.084 12.172 -4.133 1.00 1.68 O ATOM 0 H GLU A 33 -17.043 8.452 -1.398 1.00 0.30 H new ATOM 0 HA GLU A 33 -16.286 8.435 -4.168 1.00 0.31 H new ATOM 0 HB2 GLU A 33 -14.583 8.989 -1.720 1.00 0.37 H new ATOM 0 HB3 GLU A 33 -14.279 9.512 -3.365 1.00 0.37 H new ATOM 0 HG2 GLU A 33 -16.564 10.422 -1.586 1.00 0.51 H new ATOM 0 HG3 GLU A 33 -15.136 11.352 -1.996 1.00 0.51 H new ATOM 1160 N LEU A 34 -14.942 6.307 -2.045 1.00 0.23 N ATOM 1161 CA LEU A 34 -14.270 5.027 -1.937 1.00 0.20 C ATOM 1162 C LEU A 34 -15.047 3.958 -2.679 1.00 0.20 C ATOM 1163 O LEU A 34 -14.465 3.143 -3.388 1.00 0.23 O ATOM 1164 CB LEU A 34 -14.106 4.632 -0.472 1.00 0.18 C ATOM 1165 CG LEU A 34 -12.850 5.166 0.200 1.00 0.18 C ATOM 1166 CD1 LEU A 34 -12.926 4.943 1.696 1.00 0.21 C ATOM 1167 CD2 LEU A 34 -11.629 4.484 -0.384 1.00 0.18 C ATOM 0 H LEU A 34 -15.235 6.704 -1.153 1.00 0.23 H new ATOM 0 HA LEU A 34 -13.282 5.119 -2.387 1.00 0.20 H new ATOM 0 HB2 LEU A 34 -14.975 4.984 0.083 1.00 0.18 H new ATOM 0 HB3 LEU A 34 -14.103 3.544 -0.403 1.00 0.18 H new ATOM 0 HG LEU A 34 -12.771 6.238 0.018 1.00 0.18 H new ATOM 0 HD11 LEU A 34 -12.022 5.329 2.168 1.00 0.21 H new ATOM 0 HD12 LEU A 34 -13.795 5.463 2.098 1.00 0.21 H new ATOM 0 HD13 LEU A 34 -13.015 3.876 1.901 1.00 0.21 H new ATOM 0 HD21 LEU A 34 -10.731 4.869 0.100 1.00 0.18 H new ATOM 0 HD22 LEU A 34 -11.698 3.409 -0.218 1.00 0.18 H new ATOM 0 HD23 LEU A 34 -11.578 4.683 -1.454 1.00 0.18 H new ATOM 1179 N LYS A 35 -16.365 3.981 -2.533 1.00 0.23 N ATOM 1180 CA LYS A 35 -17.210 2.992 -3.180 1.00 0.29 C ATOM 1181 C LYS A 35 -16.988 2.981 -4.677 1.00 0.25 C ATOM 1182 O LYS A 35 -16.666 1.940 -5.237 1.00 0.27 O ATOM 1183 CB LYS A 35 -18.689 3.228 -2.868 1.00 0.42 C ATOM 1184 CG LYS A 35 -19.602 2.171 -3.471 1.00 0.60 C ATOM 1185 CD LYS A 35 -20.984 2.191 -2.839 1.00 0.71 C ATOM 1186 CE LYS A 35 -21.772 3.417 -3.250 1.00 0.53 C ATOM 1187 NZ LYS A 35 -23.021 3.561 -2.459 1.00 0.89 N ATOM 0 H LYS A 35 -16.868 4.671 -1.975 1.00 0.23 H new ATOM 0 HA LYS A 35 -16.929 2.018 -2.780 1.00 0.29 H new ATOM 0 HB2 LYS A 35 -18.828 3.246 -1.787 1.00 0.42 H new ATOM 0 HB3 LYS A 35 -18.981 4.209 -3.243 1.00 0.42 H new ATOM 0 HG2 LYS A 35 -19.691 2.337 -4.545 1.00 0.60 H new ATOM 0 HG3 LYS A 35 -19.155 1.186 -3.337 1.00 0.60 H new ATOM 0 HD2 LYS A 35 -21.530 1.294 -3.130 1.00 0.71 H new ATOM 0 HD3 LYS A 35 -20.888 2.168 -1.754 1.00 0.71 H new ATOM 0 HE2 LYS A 35 -21.155 4.306 -3.120 1.00 0.53 H new ATOM 0 HE3 LYS A 35 -22.018 3.352 -4.310 1.00 0.53 H new ATOM 0 HZ1 LYS A 35 -23.685 4.180 -2.967 1.00 0.89 H new ATOM 0 HZ2 LYS A 35 -23.455 2.626 -2.322 1.00 0.89 H new ATOM 0 HZ3 LYS A 35 -22.799 3.978 -1.533 1.00 0.89 H new ATOM 1201 N GLU A 36 -17.128 4.132 -5.319 1.00 0.25 N ATOM 1202 CA GLU A 36 -16.967 4.196 -6.761 1.00 0.28 C ATOM 1203 C GLU A 36 -15.560 3.750 -7.150 1.00 0.28 C ATOM 1204 O GLU A 36 -15.379 3.022 -8.126 1.00 0.34 O ATOM 1205 CB GLU A 36 -17.234 5.603 -7.285 1.00 0.32 C ATOM 1206 CG GLU A 36 -17.553 5.613 -8.767 1.00 0.66 C ATOM 1207 CD GLU A 36 -17.765 7.000 -9.327 1.00 0.77 C ATOM 1208 OE1 GLU A 36 -18.868 7.555 -9.149 1.00 1.28 O ATOM 1209 OE2 GLU A 36 -16.840 7.531 -9.978 1.00 1.49 O ATOM 0 H GLU A 36 -17.349 5.021 -4.871 1.00 0.25 H new ATOM 0 HA GLU A 36 -17.696 3.524 -7.213 1.00 0.28 H new ATOM 0 HB2 GLU A 36 -18.065 6.042 -6.734 1.00 0.32 H new ATOM 0 HB3 GLU A 36 -16.362 6.229 -7.099 1.00 0.32 H new ATOM 0 HG2 GLU A 36 -16.739 5.131 -9.309 1.00 0.66 H new ATOM 0 HG3 GLU A 36 -18.449 5.018 -8.942 1.00 0.66 H new ATOM 1216 N LEU A 37 -14.581 4.168 -6.360 1.00 0.25 N ATOM 1217 CA LEU A 37 -13.195 3.757 -6.547 1.00 0.27 C ATOM 1218 C LEU A 37 -13.097 2.234 -6.576 1.00 0.23 C ATOM 1219 O LEU A 37 -12.534 1.648 -7.505 1.00 0.24 O ATOM 1220 CB LEU A 37 -12.347 4.331 -5.408 1.00 0.32 C ATOM 1221 CG LEU A 37 -10.832 4.239 -5.580 1.00 0.40 C ATOM 1222 CD1 LEU A 37 -10.173 5.466 -4.979 1.00 0.33 C ATOM 1223 CD2 LEU A 37 -10.288 2.985 -4.917 1.00 0.74 C ATOM 0 H LEU A 37 -14.724 4.800 -5.573 1.00 0.25 H new ATOM 0 HA LEU A 37 -12.824 4.137 -7.499 1.00 0.27 H new ATOM 0 HB2 LEU A 37 -12.614 5.380 -5.278 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -12.619 3.816 -4.486 1.00 0.32 H new ATOM 0 HG LEU A 37 -10.607 4.190 -6.645 1.00 0.40 H new ATOM 0 HD11 LEU A 37 -9.092 5.397 -5.104 1.00 0.33 H new ATOM 0 HD12 LEU A 37 -10.540 6.360 -5.483 1.00 0.33 H new ATOM 0 HD13 LEU A 37 -10.413 5.524 -3.917 1.00 0.33 H new ATOM 0 HD21 LEU A 37 -9.207 2.941 -5.053 1.00 0.74 H new ATOM 0 HD22 LEU A 37 -10.519 3.007 -3.852 1.00 0.74 H new ATOM 0 HD23 LEU A 37 -10.746 2.106 -5.370 1.00 0.74 H new ATOM 1235 N LEU A 38 -13.678 1.603 -5.566 1.00 0.20 N ATOM 1236 CA LEU A 38 -13.665 0.155 -5.461 1.00 0.20 C ATOM 1237 C LEU A 38 -14.537 -0.500 -6.534 1.00 0.22 C ATOM 1238 O LEU A 38 -14.192 -1.549 -7.048 1.00 0.24 O ATOM 1239 CB LEU A 38 -14.103 -0.292 -4.061 1.00 0.19 C ATOM 1240 CG LEU A 38 -13.013 -0.219 -2.983 1.00 0.18 C ATOM 1241 CD1 LEU A 38 -13.380 0.785 -1.905 1.00 0.19 C ATOM 1242 CD2 LEU A 38 -12.778 -1.590 -2.367 1.00 0.21 C ATOM 0 H LEU A 38 -14.166 2.076 -4.805 1.00 0.20 H new ATOM 0 HA LEU A 38 -12.639 -0.175 -5.626 1.00 0.20 H new ATOM 0 HB2 LEU A 38 -14.945 0.325 -3.747 1.00 0.19 H new ATOM 0 HB3 LEU A 38 -14.465 -1.319 -4.121 1.00 0.19 H new ATOM 0 HG LEU A 38 -12.091 0.113 -3.460 1.00 0.18 H new ATOM 0 HD11 LEU A 38 -12.591 0.817 -1.154 1.00 0.19 H new ATOM 0 HD12 LEU A 38 -13.496 1.772 -2.352 1.00 0.19 H new ATOM 0 HD13 LEU A 38 -14.317 0.487 -1.434 1.00 0.19 H new ATOM 0 HD21 LEU A 38 -12.002 -1.518 -1.605 1.00 0.21 H new ATOM 0 HD22 LEU A 38 -13.702 -1.948 -1.912 1.00 0.21 H new ATOM 0 HD23 LEU A 38 -12.462 -2.288 -3.142 1.00 0.21 H new ATOM 1254 N THR A 39 -15.651 0.122 -6.891 1.00 0.23 N ATOM 1255 CA THR A 39 -16.550 -0.466 -7.885 1.00 0.26 C ATOM 1256 C THR A 39 -15.893 -0.517 -9.261 1.00 0.27 C ATOM 1257 O THR A 39 -16.204 -1.385 -10.078 1.00 0.30 O ATOM 1258 CB THR A 39 -17.895 0.290 -8.001 1.00 0.29 C ATOM 1259 OG1 THR A 39 -17.681 1.651 -8.400 1.00 0.33 O ATOM 1260 CG2 THR A 39 -18.659 0.264 -6.685 1.00 0.30 C ATOM 0 H THR A 39 -15.955 1.021 -6.516 1.00 0.23 H new ATOM 0 HA THR A 39 -16.757 -1.477 -7.534 1.00 0.26 H new ATOM 0 HB THR A 39 -18.488 -0.219 -8.761 1.00 0.29 H new ATOM 0 HG1 THR A 39 -16.724 1.858 -8.355 1.00 0.33 H new ATOM 0 HG21 THR A 39 -19.599 0.803 -6.799 1.00 0.30 H new ATOM 0 HG22 THR A 39 -18.865 -0.769 -6.404 1.00 0.30 H new ATOM 0 HG23 THR A 39 -18.061 0.739 -5.907 1.00 0.30 H new ATOM 1268 N ARG A 40 -14.976 0.407 -9.512 1.00 0.27 N ATOM 1269 CA ARG A 40 -14.330 0.493 -10.809 1.00 0.30 C ATOM 1270 C ARG A 40 -13.078 -0.371 -10.864 1.00 0.29 C ATOM 1271 O ARG A 40 -12.977 -1.280 -11.691 1.00 0.33 O ATOM 1272 CB ARG A 40 -13.979 1.945 -11.142 1.00 0.34 C ATOM 1273 CG ARG A 40 -15.186 2.869 -11.222 1.00 0.36 C ATOM 1274 CD ARG A 40 -16.251 2.331 -12.162 1.00 0.47 C ATOM 1275 NE ARG A 40 -15.720 2.045 -13.493 1.00 0.67 N ATOM 1276 CZ ARG A 40 -16.074 0.988 -14.222 1.00 0.90 C ATOM 1277 NH1 ARG A 40 -16.973 0.128 -13.759 1.00 1.24 N ATOM 1278 NH2 ARG A 40 -15.530 0.793 -15.418 1.00 1.09 N ATOM 0 H ARG A 40 -14.665 1.104 -8.836 1.00 0.27 H new ATOM 0 HA ARG A 40 -15.035 0.119 -11.552 1.00 0.30 H new ATOM 0 HB2 ARG A 40 -13.292 2.325 -10.386 1.00 0.34 H new ATOM 0 HB3 ARG A 40 -13.450 1.971 -12.095 1.00 0.34 H new ATOM 0 HG2 ARG A 40 -15.612 2.997 -10.227 1.00 0.36 H new ATOM 0 HG3 ARG A 40 -14.867 3.854 -11.561 1.00 0.36 H new ATOM 0 HD2 ARG A 40 -16.679 1.422 -11.741 1.00 0.47 H new ATOM 0 HD3 ARG A 40 -17.061 3.056 -12.244 1.00 0.47 H new ATOM 0 HE ARG A 40 -15.038 2.693 -13.887 1.00 0.67 H new ATOM 0 HH11 ARG A 40 -17.395 0.276 -12.842 1.00 1.24 H new ATOM 0 HH12 ARG A 40 -17.242 -0.680 -14.320 1.00 1.24 H new ATOM 0 HH21 ARG A 40 -14.841 1.453 -15.779 1.00 1.09 H new ATOM 0 HH22 ARG A 40 -15.801 -0.017 -15.976 1.00 1.09 H new ATOM 1292 N GLU A 41 -12.133 -0.104 -9.975 1.00 0.29 N ATOM 1293 CA GLU A 41 -10.846 -0.780 -10.024 1.00 0.32 C ATOM 1294 C GLU A 41 -10.785 -2.017 -9.130 1.00 0.35 C ATOM 1295 O GLU A 41 -10.000 -2.926 -9.389 1.00 0.46 O ATOM 1296 CB GLU A 41 -9.720 0.179 -9.647 1.00 0.38 C ATOM 1297 CG GLU A 41 -9.002 0.795 -10.835 1.00 0.47 C ATOM 1298 CD GLU A 41 -9.799 1.876 -11.539 1.00 0.83 C ATOM 1299 OE1 GLU A 41 -10.551 1.548 -12.479 1.00 1.54 O ATOM 1300 OE2 GLU A 41 -9.650 3.059 -11.172 1.00 1.60 O ATOM 0 H GLU A 41 -12.232 0.571 -9.216 1.00 0.29 H new ATOM 0 HA GLU A 41 -10.719 -1.116 -11.053 1.00 0.32 H new ATOM 0 HB2 GLU A 41 -10.130 0.979 -9.030 1.00 0.38 H new ATOM 0 HB3 GLU A 41 -8.993 -0.355 -9.035 1.00 0.38 H new ATOM 0 HG2 GLU A 41 -8.055 1.217 -10.497 1.00 0.47 H new ATOM 0 HG3 GLU A 41 -8.763 0.009 -11.551 1.00 0.47 H new ATOM 1307 N LEU A 42 -11.611 -2.080 -8.091 1.00 0.28 N ATOM 1308 CA LEU A 42 -11.538 -3.205 -7.153 1.00 0.29 C ATOM 1309 C LEU A 42 -12.855 -4.001 -7.066 1.00 0.28 C ATOM 1310 O LEU A 42 -13.272 -4.359 -5.967 1.00 0.26 O ATOM 1311 CB LEU A 42 -11.179 -2.707 -5.742 1.00 0.27 C ATOM 1312 CG LEU A 42 -9.952 -1.803 -5.632 1.00 0.27 C ATOM 1313 CD1 LEU A 42 -10.331 -0.340 -5.860 1.00 0.27 C ATOM 1314 CD2 LEU A 42 -9.300 -1.981 -4.270 1.00 0.31 C ATOM 0 H LEU A 42 -12.325 -1.384 -7.876 1.00 0.28 H new ATOM 0 HA LEU A 42 -10.763 -3.868 -7.538 1.00 0.29 H new ATOM 0 HB2 LEU A 42 -12.037 -2.168 -5.341 1.00 0.27 H new ATOM 0 HB3 LEU A 42 -11.022 -3.576 -5.103 1.00 0.27 H new ATOM 0 HG LEU A 42 -9.239 -2.088 -6.405 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -9.441 0.284 -5.777 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -10.762 -0.227 -6.855 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -11.061 -0.032 -5.111 1.00 0.27 H new ATOM 0 HD21 LEU A 42 -8.426 -1.334 -4.198 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -10.012 -1.717 -3.488 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -8.994 -3.020 -4.146 1.00 0.31 H new ATOM 1326 N PRO A 43 -13.519 -4.337 -8.198 1.00 0.32 N ATOM 1327 CA PRO A 43 -14.819 -5.017 -8.156 1.00 0.34 C ATOM 1328 C PRO A 43 -14.709 -6.414 -7.558 1.00 0.35 C ATOM 1329 O PRO A 43 -15.613 -6.882 -6.867 1.00 0.38 O ATOM 1330 CB PRO A 43 -15.247 -5.102 -9.627 1.00 0.43 C ATOM 1331 CG PRO A 43 -14.360 -4.151 -10.352 1.00 0.52 C ATOM 1332 CD PRO A 43 -13.075 -4.119 -9.581 1.00 0.36 C ATOM 0 HA PRO A 43 -15.533 -4.482 -7.530 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -15.134 -6.116 -10.011 1.00 0.43 H new ATOM 0 HB3 PRO A 43 -16.296 -4.831 -9.747 1.00 0.43 H new ATOM 0 HG2 PRO A 43 -14.192 -4.478 -11.378 1.00 0.52 H new ATOM 0 HG3 PRO A 43 -14.810 -3.159 -10.403 1.00 0.52 H new ATOM 0 HD2 PRO A 43 -12.386 -4.896 -9.912 1.00 0.36 H new ATOM 0 HD3 PRO A 43 -12.559 -3.166 -9.695 1.00 0.36 H new ATOM 1340 N SER A 44 -13.587 -7.068 -7.823 1.00 0.37 N ATOM 1341 CA SER A 44 -13.323 -8.388 -7.279 1.00 0.41 C ATOM 1342 C SER A 44 -13.130 -8.312 -5.764 1.00 0.37 C ATOM 1343 O SER A 44 -13.341 -9.288 -5.052 1.00 0.42 O ATOM 1344 CB SER A 44 -12.085 -8.979 -7.953 1.00 0.48 C ATOM 1345 OG SER A 44 -12.205 -8.910 -9.367 1.00 1.09 O ATOM 0 H SER A 44 -12.842 -6.701 -8.415 1.00 0.37 H new ATOM 0 HA SER A 44 -14.177 -9.036 -7.477 1.00 0.41 H new ATOM 0 HB2 SER A 44 -11.196 -8.437 -7.631 1.00 0.48 H new ATOM 0 HB3 SER A 44 -11.956 -10.016 -7.644 1.00 0.48 H new ATOM 0 HG SER A 44 -11.403 -9.291 -9.782 1.00 1.09 H new ATOM 1351 N PHE A 45 -12.775 -7.127 -5.280 1.00 0.33 N ATOM 1352 CA PHE A 45 -12.530 -6.909 -3.860 1.00 0.34 C ATOM 1353 C PHE A 45 -13.780 -6.369 -3.175 1.00 0.36 C ATOM 1354 O PHE A 45 -13.709 -5.815 -2.079 1.00 0.40 O ATOM 1355 CB PHE A 45 -11.358 -5.946 -3.648 1.00 0.33 C ATOM 1356 CG PHE A 45 -10.091 -6.386 -4.326 1.00 0.35 C ATOM 1357 CD1 PHE A 45 -9.295 -7.368 -3.762 1.00 1.31 C ATOM 1358 CD2 PHE A 45 -9.698 -5.821 -5.529 1.00 1.17 C ATOM 1359 CE1 PHE A 45 -8.132 -7.778 -4.383 1.00 1.36 C ATOM 1360 CE2 PHE A 45 -8.536 -6.226 -6.155 1.00 1.15 C ATOM 1361 CZ PHE A 45 -7.751 -7.207 -5.582 1.00 0.46 C ATOM 0 H PHE A 45 -12.650 -6.295 -5.857 1.00 0.33 H new ATOM 0 HA PHE A 45 -12.273 -7.870 -3.414 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -11.636 -4.960 -4.020 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -11.172 -5.843 -2.579 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -9.587 -7.819 -2.825 1.00 1.31 H new ATOM 0 HD2 PHE A 45 -10.308 -5.054 -5.983 1.00 1.17 H new ATOM 0 HE1 PHE A 45 -7.520 -8.545 -3.932 1.00 1.36 H new ATOM 0 HE2 PHE A 45 -8.241 -5.776 -7.092 1.00 1.15 H new ATOM 0 HZ PHE A 45 -6.842 -7.527 -6.070 1.00 0.46 H new ATOM 1371 N LEU A 46 -14.917 -6.475 -3.850 1.00 0.36 N ATOM 1372 CA LEU A 46 -16.174 -6.017 -3.277 1.00 0.40 C ATOM 1373 C LEU A 46 -17.145 -7.160 -3.026 1.00 0.55 C ATOM 1374 O LEU A 46 -18.145 -6.983 -2.330 1.00 0.70 O ATOM 1375 CB LEU A 46 -16.825 -4.977 -4.178 1.00 0.35 C ATOM 1376 CG LEU A 46 -16.050 -3.672 -4.269 1.00 0.32 C ATOM 1377 CD1 LEU A 46 -16.804 -2.663 -5.115 1.00 0.34 C ATOM 1378 CD2 LEU A 46 -15.799 -3.135 -2.869 1.00 0.30 C ATOM 0 H LEU A 46 -14.994 -6.871 -4.787 1.00 0.36 H new ATOM 0 HA LEU A 46 -15.936 -5.567 -2.313 1.00 0.40 H new ATOM 0 HB2 LEU A 46 -16.934 -5.394 -5.179 1.00 0.35 H new ATOM 0 HB3 LEU A 46 -17.829 -4.767 -3.809 1.00 0.35 H new ATOM 0 HG LEU A 46 -15.090 -3.854 -4.752 1.00 0.32 H new ATOM 0 HD11 LEU A 46 -16.234 -1.735 -5.169 1.00 0.34 H new ATOM 0 HD12 LEU A 46 -16.943 -3.062 -6.120 1.00 0.34 H new ATOM 0 HD13 LEU A 46 -17.777 -2.466 -4.665 1.00 0.34 H new ATOM 0 HD21 LEU A 46 -15.243 -2.199 -2.932 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -16.752 -2.958 -2.371 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -15.221 -3.862 -2.299 1.00 0.30 H new ATOM 1390 N GLY A 47 -16.858 -8.325 -3.582 1.00 0.64 N ATOM 1391 CA GLY A 47 -17.771 -9.444 -3.448 1.00 0.82 C ATOM 1392 C GLY A 47 -19.080 -9.197 -4.171 1.00 0.87 C ATOM 1393 O GLY A 47 -20.116 -9.748 -3.796 1.00 1.23 O ATOM 0 H GLY A 47 -16.014 -8.518 -4.122 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -17.302 -10.344 -3.845 1.00 0.82 H new ATOM 0 HA3 GLY A 47 -17.969 -9.626 -2.392 1.00 0.82 H new ATOM 1397 N LYS A 48 -19.021 -8.333 -5.190 1.00 0.79 N ATOM 1398 CA LYS A 48 -20.158 -8.024 -6.067 1.00 0.95 C ATOM 1399 C LYS A 48 -21.207 -7.147 -5.372 1.00 0.73 C ATOM 1400 O LYS A 48 -21.558 -6.077 -5.870 1.00 0.97 O ATOM 1401 CB LYS A 48 -20.801 -9.310 -6.602 1.00 1.43 C ATOM 1402 CG LYS A 48 -19.822 -10.212 -7.345 1.00 2.17 C ATOM 1403 CD LYS A 48 -19.266 -9.535 -8.588 1.00 2.32 C ATOM 1404 CE LYS A 48 -18.102 -10.317 -9.176 1.00 2.88 C ATOM 1405 NZ LYS A 48 -17.649 -9.745 -10.472 1.00 3.51 N ATOM 0 H LYS A 48 -18.172 -7.822 -5.433 1.00 0.79 H new ATOM 0 HA LYS A 48 -19.764 -7.453 -6.907 1.00 0.95 H new ATOM 0 HB2 LYS A 48 -21.234 -9.864 -5.770 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -21.621 -9.047 -7.271 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -19.002 -10.484 -6.681 1.00 2.17 H new ATOM 0 HG3 LYS A 48 -20.323 -11.138 -7.628 1.00 2.17 H new ATOM 0 HD2 LYS A 48 -20.055 -9.438 -9.334 1.00 2.32 H new ATOM 0 HD3 LYS A 48 -18.938 -8.526 -8.338 1.00 2.32 H new ATOM 0 HE2 LYS A 48 -17.272 -10.319 -8.470 1.00 2.88 H new ATOM 0 HE3 LYS A 48 -18.399 -11.356 -9.321 1.00 2.88 H new ATOM 0 HZ1 LYS A 48 -16.854 -10.306 -10.840 1.00 3.51 H new ATOM 0 HZ2 LYS A 48 -18.434 -9.767 -11.154 1.00 3.51 H new ATOM 0 HZ3 LYS A 48 -17.342 -8.762 -10.329 1.00 3.51 H new ATOM 1419 N ARG A 49 -21.695 -7.588 -4.225 1.00 0.73 N ATOM 1420 CA ARG A 49 -22.760 -6.874 -3.520 1.00 0.70 C ATOM 1421 C ARG A 49 -22.201 -5.824 -2.563 1.00 0.61 C ATOM 1422 O ARG A 49 -22.131 -6.037 -1.352 1.00 0.75 O ATOM 1423 CB ARG A 49 -23.671 -7.854 -2.771 1.00 0.97 C ATOM 1424 CG ARG A 49 -22.927 -8.867 -1.915 1.00 1.10 C ATOM 1425 CD ARG A 49 -23.883 -9.718 -1.099 1.00 1.54 C ATOM 1426 NE ARG A 49 -24.820 -10.458 -1.939 1.00 2.02 N ATOM 1427 CZ ARG A 49 -26.020 -10.870 -1.533 1.00 2.68 C ATOM 1428 NH1 ARG A 49 -26.433 -10.619 -0.295 1.00 3.06 N ATOM 1429 NH2 ARG A 49 -26.808 -11.534 -2.366 1.00 3.24 N ATOM 0 H ARG A 49 -21.375 -8.436 -3.758 1.00 0.73 H new ATOM 0 HA ARG A 49 -23.353 -6.353 -4.272 1.00 0.70 H new ATOM 0 HB2 ARG A 49 -24.351 -7.287 -2.135 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -24.285 -8.389 -3.496 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -22.322 -9.510 -2.554 1.00 1.10 H new ATOM 0 HG3 ARG A 49 -22.242 -8.346 -1.247 1.00 1.10 H new ATOM 0 HD2 ARG A 49 -23.312 -10.419 -0.490 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -24.440 -9.079 -0.413 1.00 1.54 H new ATOM 0 HE ARG A 49 -24.539 -10.673 -2.896 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -25.830 -10.108 0.350 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -27.353 -10.937 0.010 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -26.496 -11.729 -3.317 1.00 3.24 H new ATOM 0 HH22 ARG A 49 -27.727 -11.850 -2.056 1.00 3.24 H new ATOM 1443 N THR A 50 -21.786 -4.695 -3.111 1.00 0.55 N ATOM 1444 CA THR A 50 -21.246 -3.625 -2.296 1.00 0.50 C ATOM 1445 C THR A 50 -22.139 -2.409 -2.248 1.00 0.50 C ATOM 1446 O THR A 50 -22.177 -1.600 -3.174 1.00 0.56 O ATOM 1447 CB THR A 50 -19.861 -3.202 -2.758 1.00 0.54 C ATOM 1448 OG1 THR A 50 -19.674 -3.564 -4.132 1.00 0.91 O ATOM 1449 CG2 THR A 50 -18.815 -3.850 -1.876 1.00 0.51 C ATOM 0 H THR A 50 -21.813 -4.498 -4.111 1.00 0.55 H new ATOM 0 HA THR A 50 -21.182 -4.041 -1.291 1.00 0.50 H new ATOM 0 HB THR A 50 -19.760 -2.120 -2.677 1.00 0.54 H new ATOM 0 HG1 THR A 50 -19.970 -2.828 -4.707 1.00 0.91 H new ATOM 0 HG21 THR A 50 -17.822 -3.547 -2.207 1.00 0.51 H new ATOM 0 HG22 THR A 50 -18.965 -3.536 -0.843 1.00 0.51 H new ATOM 0 HG23 THR A 50 -18.904 -4.934 -1.942 1.00 0.51 H new ATOM 1457 N ASP A 51 -22.859 -2.307 -1.161 1.00 0.49 N ATOM 1458 CA ASP A 51 -23.623 -1.114 -0.849 1.00 0.51 C ATOM 1459 C ASP A 51 -23.018 -0.439 0.371 1.00 0.44 C ATOM 1460 O ASP A 51 -21.950 -0.841 0.842 1.00 0.43 O ATOM 1461 CB ASP A 51 -25.094 -1.449 -0.605 1.00 0.60 C ATOM 1462 CG ASP A 51 -25.803 -1.893 -1.869 1.00 1.15 C ATOM 1463 OD1 ASP A 51 -26.055 -1.036 -2.745 1.00 1.72 O ATOM 1464 OD2 ASP A 51 -26.126 -3.095 -1.987 1.00 1.94 O ATOM 0 H ASP A 51 -22.936 -3.046 -0.463 1.00 0.49 H new ATOM 0 HA ASP A 51 -23.580 -0.434 -1.700 1.00 0.51 H new ATOM 0 HB2 ASP A 51 -25.165 -2.238 0.144 1.00 0.60 H new ATOM 0 HB3 ASP A 51 -25.600 -0.574 -0.196 1.00 0.60 H new ATOM 1469 N GLU A 52 -23.707 0.565 0.897 1.00 0.47 N ATOM 1470 CA GLU A 52 -23.242 1.276 2.087 1.00 0.46 C ATOM 1471 C GLU A 52 -23.105 0.308 3.263 1.00 0.46 C ATOM 1472 O GLU A 52 -22.279 0.506 4.152 1.00 0.46 O ATOM 1473 CB GLU A 52 -24.223 2.394 2.449 1.00 0.49 C ATOM 1474 CG GLU A 52 -24.552 3.322 1.290 1.00 0.52 C ATOM 1475 CD GLU A 52 -23.394 4.208 0.879 1.00 0.71 C ATOM 1476 OE1 GLU A 52 -22.525 3.743 0.116 1.00 1.27 O ATOM 1477 OE2 GLU A 52 -23.370 5.388 1.296 1.00 1.44 O ATOM 0 H GLU A 52 -24.591 0.908 0.520 1.00 0.47 H new ATOM 0 HA GLU A 52 -22.267 1.712 1.872 1.00 0.46 H new ATOM 0 HB2 GLU A 52 -25.147 1.948 2.819 1.00 0.49 H new ATOM 0 HB3 GLU A 52 -23.804 2.982 3.265 1.00 0.49 H new ATOM 0 HG2 GLU A 52 -24.864 2.724 0.433 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -25.399 3.950 1.566 1.00 0.52 H new ATOM 1484 N ALA A 53 -23.911 -0.752 3.233 1.00 0.52 N ATOM 1485 CA ALA A 53 -23.919 -1.763 4.286 1.00 0.58 C ATOM 1486 C ALA A 53 -22.537 -2.381 4.498 1.00 0.57 C ATOM 1487 O ALA A 53 -22.081 -2.507 5.632 1.00 0.68 O ATOM 1488 CB ALA A 53 -24.936 -2.846 3.963 1.00 0.65 C ATOM 0 H ALA A 53 -24.575 -0.933 2.480 1.00 0.52 H new ATOM 0 HA ALA A 53 -24.200 -1.267 5.215 1.00 0.58 H new ATOM 0 HB1 ALA A 53 -24.934 -3.595 4.755 1.00 0.65 H new ATOM 0 HB2 ALA A 53 -25.928 -2.402 3.886 1.00 0.65 H new ATOM 0 HB3 ALA A 53 -24.676 -3.319 3.016 1.00 0.65 H new ATOM 1494 N ALA A 54 -21.872 -2.767 3.411 1.00 0.49 N ATOM 1495 CA ALA A 54 -20.541 -3.356 3.513 1.00 0.50 C ATOM 1496 C ALA A 54 -19.481 -2.277 3.702 1.00 0.45 C ATOM 1497 O ALA A 54 -18.477 -2.483 4.382 1.00 0.52 O ATOM 1498 CB ALA A 54 -20.209 -4.175 2.284 1.00 0.49 C ATOM 0 H ALA A 54 -22.229 -2.683 2.459 1.00 0.49 H new ATOM 0 HA ALA A 54 -20.544 -4.012 4.384 1.00 0.50 H new ATOM 0 HB1 ALA A 54 -19.211 -4.601 2.389 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -20.937 -4.979 2.175 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -20.239 -3.536 1.402 1.00 0.49 H new ATOM 1504 N PHE A 55 -19.692 -1.128 3.082 1.00 0.36 N ATOM 1505 CA PHE A 55 -18.735 -0.035 3.174 1.00 0.32 C ATOM 1506 C PHE A 55 -18.691 0.536 4.582 1.00 0.34 C ATOM 1507 O PHE A 55 -17.735 1.215 4.957 1.00 0.34 O ATOM 1508 CB PHE A 55 -19.045 1.043 2.138 1.00 0.31 C ATOM 1509 CG PHE A 55 -18.468 0.710 0.795 1.00 0.28 C ATOM 1510 CD1 PHE A 55 -19.154 -0.102 -0.090 1.00 1.20 C ATOM 1511 CD2 PHE A 55 -17.220 1.185 0.433 1.00 1.20 C ATOM 1512 CE1 PHE A 55 -18.608 -0.430 -1.315 1.00 1.21 C ATOM 1513 CE2 PHE A 55 -16.668 0.857 -0.788 1.00 1.20 C ATOM 1514 CZ PHE A 55 -17.363 0.048 -1.663 1.00 0.31 C ATOM 0 H PHE A 55 -20.513 -0.927 2.512 1.00 0.36 H new ATOM 0 HA PHE A 55 -17.743 -0.430 2.954 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -20.125 1.162 2.050 1.00 0.31 H new ATOM 0 HB3 PHE A 55 -18.646 1.999 2.478 1.00 0.31 H new ATOM 0 HD1 PHE A 55 -20.128 -0.484 0.180 1.00 1.20 H new ATOM 0 HD2 PHE A 55 -16.672 1.820 1.114 1.00 1.20 H new ATOM 0 HE1 PHE A 55 -19.156 -1.060 -2.000 1.00 1.21 H new ATOM 0 HE2 PHE A 55 -15.693 1.233 -1.059 1.00 1.20 H new ATOM 0 HZ PHE A 55 -16.932 -0.210 -2.619 1.00 0.31 H new ATOM 1524 N GLN A 56 -19.722 0.229 5.356 1.00 0.37 N ATOM 1525 CA GLN A 56 -19.779 0.582 6.764 1.00 0.40 C ATOM 1526 C GLN A 56 -18.549 0.062 7.509 1.00 0.37 C ATOM 1527 O GLN A 56 -17.966 0.778 8.318 1.00 0.42 O ATOM 1528 CB GLN A 56 -21.052 -0.001 7.381 1.00 0.46 C ATOM 1529 CG GLN A 56 -21.278 0.384 8.832 1.00 0.58 C ATOM 1530 CD GLN A 56 -22.479 -0.322 9.424 1.00 0.68 C ATOM 1531 OE1 GLN A 56 -23.604 0.171 9.358 1.00 1.42 O ATOM 1532 NE2 GLN A 56 -22.246 -1.488 10.007 1.00 1.00 N ATOM 0 H GLN A 56 -20.544 -0.274 5.022 1.00 0.37 H new ATOM 0 HA GLN A 56 -19.792 1.668 6.853 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -21.909 0.327 6.793 1.00 0.46 H new ATOM 0 HB3 GLN A 56 -21.012 -1.088 7.308 1.00 0.46 H new ATOM 0 HG2 GLN A 56 -20.390 0.140 9.415 1.00 0.58 H new ATOM 0 HG3 GLN A 56 -21.419 1.462 8.903 1.00 0.58 H new ATOM 0 HE21 GLN A 56 -21.297 -1.861 10.040 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -23.015 -2.013 10.423 1.00 1.00 H new ATOM 1541 N LYS A 57 -18.141 -1.174 7.210 1.00 0.34 N ATOM 1542 CA LYS A 57 -17.000 -1.786 7.885 1.00 0.35 C ATOM 1543 C LYS A 57 -15.695 -1.380 7.216 1.00 0.29 C ATOM 1544 O LYS A 57 -14.693 -1.155 7.890 1.00 0.34 O ATOM 1545 CB LYS A 57 -17.124 -3.314 7.892 1.00 0.47 C ATOM 1546 CG LYS A 57 -15.876 -4.038 8.391 1.00 0.85 C ATOM 1547 CD LYS A 57 -15.899 -4.317 9.893 1.00 0.57 C ATOM 1548 CE LYS A 57 -16.043 -3.056 10.729 1.00 0.63 C ATOM 1549 NZ LYS A 57 -16.057 -3.361 12.185 1.00 0.92 N ATOM 0 H LYS A 57 -18.584 -1.766 6.507 1.00 0.34 H new ATOM 0 HA LYS A 57 -16.995 -1.429 8.915 1.00 0.35 H new ATOM 0 HB2 LYS A 57 -17.970 -3.596 8.519 1.00 0.47 H new ATOM 0 HB3 LYS A 57 -17.349 -3.654 6.881 1.00 0.47 H new ATOM 0 HG2 LYS A 57 -15.773 -4.981 7.855 1.00 0.85 H new ATOM 0 HG3 LYS A 57 -14.997 -3.439 8.153 1.00 0.85 H new ATOM 0 HD2 LYS A 57 -16.724 -4.992 10.119 1.00 0.57 H new ATOM 0 HD3 LYS A 57 -14.980 -4.831 10.176 1.00 0.57 H new ATOM 0 HE2 LYS A 57 -15.220 -2.376 10.507 1.00 0.63 H new ATOM 0 HE3 LYS A 57 -16.964 -2.541 10.456 1.00 0.63 H new ATOM 0 HZ1 LYS A 57 -16.157 -2.477 12.724 1.00 0.92 H new ATOM 0 HZ2 LYS A 57 -16.857 -3.990 12.400 1.00 0.92 H new ATOM 0 HZ3 LYS A 57 -15.167 -3.830 12.450 1.00 0.92 H new ATOM 1563 N LEU A 58 -15.710 -1.291 5.891 1.00 0.24 N ATOM 1564 CA LEU A 58 -14.521 -0.895 5.141 1.00 0.20 C ATOM 1565 C LEU A 58 -14.007 0.451 5.627 1.00 0.20 C ATOM 1566 O LEU A 58 -12.909 0.551 6.180 1.00 0.22 O ATOM 1567 CB LEU A 58 -14.829 -0.831 3.642 1.00 0.20 C ATOM 1568 CG LEU A 58 -13.782 -0.108 2.788 1.00 0.19 C ATOM 1569 CD1 LEU A 58 -12.386 -0.637 3.073 1.00 0.20 C ATOM 1570 CD2 LEU A 58 -14.121 -0.241 1.314 1.00 0.23 C ATOM 0 H LEU A 58 -16.528 -1.487 5.314 1.00 0.24 H new ATOM 0 HA LEU A 58 -13.747 -1.644 5.307 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -14.940 -1.848 3.267 1.00 0.20 H new ATOM 0 HB3 LEU A 58 -15.790 -0.335 3.506 1.00 0.20 H new ATOM 0 HG LEU A 58 -13.796 0.950 3.051 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -11.663 -0.107 2.454 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -12.146 -0.482 4.125 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -12.347 -1.702 2.845 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -13.369 0.277 0.719 1.00 0.23 H new ATOM 0 HD22 LEU A 58 -14.138 -1.295 1.038 1.00 0.23 H new ATOM 0 HD23 LEU A 58 -15.100 0.199 1.125 1.00 0.23 H new ATOM 1582 N MET A 59 -14.817 1.473 5.410 1.00 0.21 N ATOM 1583 CA MET A 59 -14.515 2.821 5.874 1.00 0.26 C ATOM 1584 C MET A 59 -14.273 2.855 7.381 1.00 0.27 C ATOM 1585 O MET A 59 -13.478 3.647 7.856 1.00 0.33 O ATOM 1586 CB MET A 59 -15.640 3.781 5.471 1.00 0.36 C ATOM 1587 CG MET A 59 -15.696 5.071 6.281 1.00 0.34 C ATOM 1588 SD MET A 59 -16.360 6.459 5.355 1.00 0.72 S ATOM 1589 CE MET A 59 -14.851 7.116 4.666 1.00 0.32 C ATOM 0 H MET A 59 -15.702 1.395 4.908 1.00 0.21 H new ATOM 0 HA MET A 59 -13.592 3.147 5.395 1.00 0.26 H new ATOM 0 HB2 MET A 59 -15.523 4.034 4.417 1.00 0.36 H new ATOM 0 HB3 MET A 59 -16.594 3.264 5.571 1.00 0.36 H new ATOM 0 HG2 MET A 59 -16.307 4.909 7.169 1.00 0.34 H new ATOM 0 HG3 MET A 59 -14.692 5.320 6.626 1.00 0.34 H new ATOM 0 HE1 MET A 59 -14.866 8.204 4.728 1.00 0.32 H new ATOM 0 HE2 MET A 59 -13.998 6.732 5.226 1.00 0.32 H new ATOM 0 HE3 MET A 59 -14.766 6.814 3.622 1.00 0.32 H new ATOM 1599 N SER A 60 -14.943 1.980 8.120 1.00 0.28 N ATOM 1600 CA SER A 60 -14.758 1.892 9.568 1.00 0.35 C ATOM 1601 C SER A 60 -13.337 1.476 9.919 1.00 0.32 C ATOM 1602 O SER A 60 -12.696 2.078 10.774 1.00 0.36 O ATOM 1603 CB SER A 60 -15.701 0.855 10.149 1.00 0.41 C ATOM 1604 OG SER A 60 -15.687 0.872 11.568 1.00 0.64 O ATOM 0 H SER A 60 -15.621 1.319 7.742 1.00 0.28 H new ATOM 0 HA SER A 60 -14.963 2.879 9.983 1.00 0.35 H new ATOM 0 HB2 SER A 60 -16.714 1.043 9.792 1.00 0.41 H new ATOM 0 HB3 SER A 60 -15.417 -0.136 9.794 1.00 0.41 H new ATOM 0 HG SER A 60 -16.306 0.193 11.909 1.00 0.64 H new ATOM 1610 N ASN A 61 -12.866 0.423 9.264 1.00 0.30 N ATOM 1611 CA ASN A 61 -11.549 -0.128 9.553 1.00 0.31 C ATOM 1612 C ASN A 61 -10.483 0.814 9.040 1.00 0.31 C ATOM 1613 O ASN A 61 -9.423 0.973 9.642 1.00 0.39 O ATOM 1614 CB ASN A 61 -11.390 -1.504 8.913 1.00 0.34 C ATOM 1615 CG ASN A 61 -12.260 -2.570 9.548 1.00 0.43 C ATOM 1616 OD1 ASN A 61 -12.603 -2.496 10.727 1.00 0.95 O ATOM 1617 ND2 ASN A 61 -12.614 -3.581 8.771 1.00 0.57 N ATOM 0 H ASN A 61 -13.376 -0.067 8.529 1.00 0.30 H new ATOM 0 HA ASN A 61 -11.442 -0.240 10.632 1.00 0.31 H new ATOM 0 HB2 ASN A 61 -11.632 -1.433 7.853 1.00 0.34 H new ATOM 0 HB3 ASN A 61 -10.346 -1.810 8.982 1.00 0.34 H new ATOM 0 HD21 ASN A 61 -13.191 -4.334 9.145 1.00 0.57 H new ATOM 0 HD22 ASN A 61 -12.310 -3.607 7.798 1.00 0.57 H new ATOM 1624 N LEU A 62 -10.781 1.415 7.901 1.00 0.30 N ATOM 1625 CA LEU A 62 -9.967 2.509 7.368 1.00 0.33 C ATOM 1626 C LEU A 62 -9.882 3.674 8.344 1.00 0.33 C ATOM 1627 O LEU A 62 -8.811 4.232 8.563 1.00 0.38 O ATOM 1628 CB LEU A 62 -10.553 3.023 6.056 1.00 0.37 C ATOM 1629 CG LEU A 62 -9.767 2.640 4.815 1.00 0.24 C ATOM 1630 CD1 LEU A 62 -9.623 1.141 4.742 1.00 0.52 C ATOM 1631 CD2 LEU A 62 -10.444 3.173 3.568 1.00 0.28 C ATOM 0 H LEU A 62 -11.583 1.167 7.321 1.00 0.30 H new ATOM 0 HA LEU A 62 -8.967 2.108 7.203 1.00 0.33 H new ATOM 0 HB2 LEU A 62 -11.570 2.645 5.956 1.00 0.37 H new ATOM 0 HB3 LEU A 62 -10.620 4.110 6.105 1.00 0.37 H new ATOM 0 HG LEU A 62 -8.774 3.086 4.876 1.00 0.24 H new ATOM 0 HD11 LEU A 62 -9.058 0.873 3.849 1.00 0.52 H new ATOM 0 HD12 LEU A 62 -9.096 0.783 5.626 1.00 0.52 H new ATOM 0 HD13 LEU A 62 -10.611 0.682 4.698 1.00 0.52 H new ATOM 0 HD21 LEU A 62 -9.865 2.888 2.690 1.00 0.28 H new ATOM 0 HD22 LEU A 62 -11.448 2.755 3.492 1.00 0.28 H new ATOM 0 HD23 LEU A 62 -10.506 4.260 3.624 1.00 0.28 H new ATOM 1643 N ASP A 63 -11.028 4.030 8.903 1.00 0.37 N ATOM 1644 CA ASP A 63 -11.164 5.186 9.780 1.00 0.43 C ATOM 1645 C ASP A 63 -10.442 4.948 11.103 1.00 0.38 C ATOM 1646 O ASP A 63 -11.063 4.631 12.115 1.00 0.43 O ATOM 1647 CB ASP A 63 -12.658 5.447 10.016 1.00 0.56 C ATOM 1648 CG ASP A 63 -12.958 6.794 10.624 1.00 0.85 C ATOM 1649 OD1 ASP A 63 -12.510 7.815 10.067 1.00 1.56 O ATOM 1650 OD2 ASP A 63 -13.690 6.845 11.635 1.00 1.35 O ATOM 0 H ASP A 63 -11.900 3.520 8.760 1.00 0.37 H new ATOM 0 HA ASP A 63 -10.709 6.058 9.311 1.00 0.43 H new ATOM 0 HB2 ASP A 63 -13.185 5.364 9.066 1.00 0.56 H new ATOM 0 HB3 ASP A 63 -13.053 4.669 10.669 1.00 0.56 H new ATOM 1655 N SER A 64 -9.122 5.092 11.085 1.00 0.37 N ATOM 1656 CA SER A 64 -8.310 4.794 12.249 1.00 0.41 C ATOM 1657 C SER A 64 -8.177 6.035 13.122 1.00 0.52 C ATOM 1658 O SER A 64 -8.011 5.939 14.342 1.00 0.64 O ATOM 1659 CB SER A 64 -6.926 4.282 11.820 1.00 0.45 C ATOM 1660 OG SER A 64 -6.046 5.348 11.504 1.00 0.58 O ATOM 0 H SER A 64 -8.595 5.414 10.274 1.00 0.37 H new ATOM 0 HA SER A 64 -8.798 4.011 12.829 1.00 0.41 H new ATOM 0 HB2 SER A 64 -6.496 3.681 12.621 1.00 0.45 H new ATOM 0 HB3 SER A 64 -7.032 3.629 10.954 1.00 0.45 H new ATOM 0 HG SER A 64 -6.547 6.066 11.064 1.00 0.58 H new ATOM 1666 N ASN A 65 -8.250 7.201 12.491 1.00 0.60 N ATOM 1667 CA ASN A 65 -8.216 8.465 13.213 1.00 0.83 C ATOM 1668 C ASN A 65 -9.621 8.849 13.657 1.00 0.89 C ATOM 1669 O ASN A 65 -9.803 9.736 14.497 1.00 1.10 O ATOM 1670 CB ASN A 65 -7.619 9.580 12.343 1.00 0.95 C ATOM 1671 CG ASN A 65 -8.510 9.986 11.178 1.00 0.99 C ATOM 1672 OD1 ASN A 65 -9.253 9.178 10.627 1.00 1.52 O ATOM 1673 ND2 ASN A 65 -8.448 11.255 10.801 1.00 1.44 N ATOM 0 H ASN A 65 -8.333 7.296 11.479 1.00 0.60 H new ATOM 0 HA ASN A 65 -7.582 8.339 14.091 1.00 0.83 H new ATOM 0 HB2 ASN A 65 -7.429 10.454 12.966 1.00 0.95 H new ATOM 0 HB3 ASN A 65 -6.655 9.250 11.955 1.00 0.95 H new ATOM 0 HD21 ASN A 65 -9.029 11.587 10.031 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -7.820 11.899 11.281 1.00 1.44 H new ATOM 1680 N ARG A 66 -10.605 8.154 13.093 1.00 0.79 N ATOM 1681 CA ARG A 66 -12.015 8.414 13.354 1.00 0.98 C ATOM 1682 C ARG A 66 -12.400 9.811 12.877 1.00 1.05 C ATOM 1683 O ARG A 66 -12.514 10.754 13.665 1.00 1.34 O ATOM 1684 CB ARG A 66 -12.375 8.200 14.832 1.00 1.26 C ATOM 1685 CG ARG A 66 -12.638 6.739 15.192 1.00 1.46 C ATOM 1686 CD ARG A 66 -11.396 5.867 15.043 1.00 1.25 C ATOM 1687 NE ARG A 66 -11.718 4.441 15.119 1.00 1.91 N ATOM 1688 CZ ARG A 66 -10.813 3.456 15.070 1.00 2.60 C ATOM 1689 NH1 ARG A 66 -9.514 3.728 15.024 1.00 2.85 N ATOM 1690 NH2 ARG A 66 -11.218 2.195 15.078 1.00 3.45 N ATOM 0 H ARG A 66 -10.444 7.389 12.437 1.00 0.79 H new ATOM 0 HA ARG A 66 -12.597 7.690 12.784 1.00 0.98 H new ATOM 0 HB2 ARG A 66 -11.563 8.578 15.453 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -13.260 8.789 15.071 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -12.998 6.681 16.219 1.00 1.46 H new ATOM 0 HG3 ARG A 66 -13.431 6.348 14.554 1.00 1.46 H new ATOM 0 HD2 ARG A 66 -10.915 6.080 14.088 1.00 1.25 H new ATOM 0 HD3 ARG A 66 -10.679 6.120 15.824 1.00 1.25 H new ATOM 0 HE ARG A 66 -12.699 4.180 15.216 1.00 1.91 H new ATOM 0 HH11 ARG A 66 -9.195 4.697 15.026 1.00 2.85 H new ATOM 0 HH12 ARG A 66 -8.835 2.968 14.987 1.00 2.85 H new ATOM 0 HH21 ARG A 66 -12.214 1.980 15.121 1.00 3.45 H new ATOM 0 HH22 ARG A 66 -10.534 1.439 15.041 1.00 3.45 H new ATOM 1704 N ASP A 67 -12.553 9.932 11.569 1.00 0.86 N ATOM 1705 CA ASP A 67 -12.900 11.193 10.928 1.00 1.00 C ATOM 1706 C ASP A 67 -14.061 10.995 9.949 1.00 0.88 C ATOM 1707 O ASP A 67 -14.770 11.944 9.619 1.00 0.94 O ATOM 1708 CB ASP A 67 -11.672 11.743 10.191 1.00 1.13 C ATOM 1709 CG ASP A 67 -11.837 13.179 9.740 1.00 1.57 C ATOM 1710 OD1 ASP A 67 -11.741 14.090 10.592 1.00 2.02 O ATOM 1711 OD2 ASP A 67 -12.015 13.413 8.528 1.00 2.08 O ATOM 0 H ASP A 67 -12.440 9.156 10.917 1.00 0.86 H new ATOM 0 HA ASP A 67 -13.215 11.906 11.690 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -10.803 11.673 10.845 1.00 1.13 H new ATOM 0 HB3 ASP A 67 -11.468 11.118 9.322 1.00 1.13 H new ATOM 1716 N ASN A 68 -14.232 9.747 9.490 1.00 0.77 N ATOM 1717 CA ASN A 68 -15.279 9.368 8.518 1.00 0.74 C ATOM 1718 C ASN A 68 -14.962 9.916 7.137 1.00 0.65 C ATOM 1719 O ASN A 68 -15.774 9.849 6.212 1.00 0.66 O ATOM 1720 CB ASN A 68 -16.675 9.826 8.944 1.00 0.92 C ATOM 1721 CG ASN A 68 -17.275 8.992 10.056 1.00 1.13 C ATOM 1722 OD1 ASN A 68 -16.426 8.357 10.825 1.00 1.54 O flip ATOM 1723 ND2 ASN A 68 -18.496 8.901 10.192 1.00 1.75 N flip ATOM 0 H ASN A 68 -13.647 8.964 9.782 1.00 0.77 H new ATOM 0 HA ASN A 68 -15.284 8.278 8.486 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -16.624 10.865 9.268 1.00 0.92 H new ATOM 0 HB3 ASN A 68 -17.338 9.794 8.079 1.00 0.92 H new ATOM 0 HD21 ASN A 68 -19.118 9.415 9.568 1.00 1.75 H new ATOM 0 HD22 ASN A 68 -18.885 8.312 10.928 1.00 1.75 H new ATOM 1730 N GLU A 69 -13.771 10.457 7.018 1.00 0.64 N ATOM 1731 CA GLU A 69 -13.254 10.958 5.765 1.00 0.63 C ATOM 1732 C GLU A 69 -11.821 10.488 5.643 1.00 0.54 C ATOM 1733 O GLU A 69 -10.953 10.941 6.392 1.00 0.65 O ATOM 1734 CB GLU A 69 -13.330 12.486 5.715 1.00 0.82 C ATOM 1735 CG GLU A 69 -14.748 13.027 5.708 1.00 0.95 C ATOM 1736 CD GLU A 69 -14.795 14.531 5.845 1.00 1.13 C ATOM 1737 OE1 GLU A 69 -14.369 15.232 4.908 1.00 1.65 O ATOM 1738 OE2 GLU A 69 -15.259 15.021 6.895 1.00 1.59 O ATOM 0 H GLU A 69 -13.125 10.563 7.800 1.00 0.64 H new ATOM 0 HA GLU A 69 -13.850 10.582 4.933 1.00 0.63 H new ATOM 0 HB2 GLU A 69 -12.799 12.896 6.574 1.00 0.82 H new ATOM 0 HB3 GLU A 69 -12.812 12.838 4.823 1.00 0.82 H new ATOM 0 HG2 GLU A 69 -15.240 12.734 4.781 1.00 0.95 H new ATOM 0 HG3 GLU A 69 -15.310 12.573 6.524 1.00 0.95 H new ATOM 1745 N VAL A 70 -11.578 9.571 4.724 1.00 0.40 N ATOM 1746 CA VAL A 70 -10.295 8.899 4.658 1.00 0.31 C ATOM 1747 C VAL A 70 -9.191 9.846 4.229 1.00 0.33 C ATOM 1748 O VAL A 70 -9.103 10.235 3.062 1.00 0.39 O ATOM 1749 CB VAL A 70 -10.336 7.684 3.709 1.00 0.28 C ATOM 1750 CG1 VAL A 70 -8.967 7.042 3.571 1.00 0.32 C ATOM 1751 CG2 VAL A 70 -11.343 6.665 4.204 1.00 0.29 C ATOM 0 H VAL A 70 -12.250 9.276 4.016 1.00 0.40 H new ATOM 0 HA VAL A 70 -10.078 8.544 5.666 1.00 0.31 H new ATOM 0 HB VAL A 70 -10.641 8.039 2.725 1.00 0.28 H new ATOM 0 HG11 VAL A 70 -9.032 6.189 2.895 1.00 0.32 H new ATOM 0 HG12 VAL A 70 -8.262 7.770 3.170 1.00 0.32 H new ATOM 0 HG13 VAL A 70 -8.623 6.705 4.549 1.00 0.32 H new ATOM 0 HG21 VAL A 70 -11.362 5.813 3.525 1.00 0.29 H new ATOM 0 HG22 VAL A 70 -11.060 6.328 5.201 1.00 0.29 H new ATOM 0 HG23 VAL A 70 -12.333 7.120 4.242 1.00 0.29 H new ATOM 1761 N ASP A 71 -8.386 10.245 5.205 1.00 0.36 N ATOM 1762 CA ASP A 71 -7.134 10.932 4.938 1.00 0.40 C ATOM 1763 C ASP A 71 -6.221 9.941 4.243 1.00 0.32 C ATOM 1764 O ASP A 71 -6.434 8.735 4.351 1.00 0.29 O ATOM 1765 CB ASP A 71 -6.498 11.414 6.253 1.00 0.49 C ATOM 1766 CG ASP A 71 -5.297 12.325 6.049 1.00 0.61 C ATOM 1767 OD1 ASP A 71 -4.211 11.824 5.679 1.00 1.32 O ATOM 1768 OD2 ASP A 71 -5.434 13.543 6.278 1.00 1.22 O ATOM 0 H ASP A 71 -8.582 10.102 6.196 1.00 0.36 H new ATOM 0 HA ASP A 71 -7.300 11.809 4.312 1.00 0.40 H new ATOM 0 HB2 ASP A 71 -7.250 11.943 6.838 1.00 0.49 H new ATOM 0 HB3 ASP A 71 -6.191 10.547 6.838 1.00 0.49 H new ATOM 1773 N PHE A 72 -5.213 10.419 3.542 1.00 0.36 N ATOM 1774 CA PHE A 72 -4.332 9.520 2.822 1.00 0.36 C ATOM 1775 C PHE A 72 -3.649 8.541 3.782 1.00 0.30 C ATOM 1776 O PHE A 72 -3.269 7.435 3.395 1.00 0.39 O ATOM 1777 CB PHE A 72 -3.289 10.290 2.029 1.00 0.51 C ATOM 1778 CG PHE A 72 -2.537 9.392 1.111 1.00 0.58 C ATOM 1779 CD1 PHE A 72 -3.041 9.090 -0.138 1.00 1.38 C ATOM 1780 CD2 PHE A 72 -1.353 8.813 1.513 1.00 1.26 C ATOM 1781 CE1 PHE A 72 -2.370 8.232 -0.975 1.00 1.46 C ATOM 1782 CE2 PHE A 72 -0.681 7.953 0.684 1.00 1.29 C ATOM 1783 CZ PHE A 72 -1.180 7.662 -0.555 1.00 0.78 C ATOM 0 H PHE A 72 -4.985 11.409 3.455 1.00 0.36 H new ATOM 0 HA PHE A 72 -4.943 8.952 2.121 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -3.775 11.078 1.453 1.00 0.51 H new ATOM 0 HB3 PHE A 72 -2.595 10.777 2.714 1.00 0.51 H new ATOM 0 HD1 PHE A 72 -3.972 9.533 -0.460 1.00 1.38 H new ATOM 0 HD2 PHE A 72 -0.951 9.039 2.490 1.00 1.26 H new ATOM 0 HE1 PHE A 72 -2.767 8.004 -1.953 1.00 1.46 H new ATOM 0 HE2 PHE A 72 0.245 7.504 1.011 1.00 1.29 H new ATOM 0 HZ PHE A 72 -0.646 6.987 -1.207 1.00 0.78 H new ATOM 1793 N GLN A 73 -3.510 8.958 5.032 1.00 0.30 N ATOM 1794 CA GLN A 73 -2.998 8.088 6.086 1.00 0.41 C ATOM 1795 C GLN A 73 -3.823 6.809 6.159 1.00 0.38 C ATOM 1796 O GLN A 73 -3.287 5.707 6.204 1.00 0.44 O ATOM 1797 CB GLN A 73 -3.055 8.803 7.439 1.00 0.61 C ATOM 1798 CG GLN A 73 -2.365 10.155 7.449 1.00 0.85 C ATOM 1799 CD GLN A 73 -0.869 10.058 7.249 1.00 0.83 C ATOM 1800 OE1 GLN A 73 -0.273 8.996 7.766 1.00 1.20 O flip ATOM 1801 NE2 GLN A 73 -0.254 10.944 6.655 1.00 1.48 N flip ATOM 0 H GLN A 73 -3.746 9.900 5.345 1.00 0.30 H new ATOM 0 HA GLN A 73 -1.963 7.839 5.853 1.00 0.41 H new ATOM 0 HB2 GLN A 73 -4.098 8.936 7.725 1.00 0.61 H new ATOM 0 HB3 GLN A 73 -2.596 8.166 8.195 1.00 0.61 H new ATOM 0 HG2 GLN A 73 -2.791 10.780 6.664 1.00 0.85 H new ATOM 0 HG3 GLN A 73 -2.567 10.653 8.397 1.00 0.85 H new ATOM 0 HE21 GLN A 73 -0.756 11.745 6.273 1.00 1.48 H new ATOM 0 HE22 GLN A 73 0.758 10.877 6.545 1.00 1.48 H new ATOM 1810 N GLU A 74 -5.138 6.969 6.129 1.00 0.34 N ATOM 1811 CA GLU A 74 -6.047 5.843 6.252 1.00 0.37 C ATOM 1812 C GLU A 74 -6.141 5.130 4.909 1.00 0.32 C ATOM 1813 O GLU A 74 -6.600 3.991 4.808 1.00 0.36 O ATOM 1814 CB GLU A 74 -7.432 6.335 6.679 1.00 0.44 C ATOM 1815 CG GLU A 74 -7.406 7.526 7.632 1.00 0.52 C ATOM 1816 CD GLU A 74 -6.707 7.235 8.944 1.00 0.58 C ATOM 1817 OE1 GLU A 74 -5.476 7.418 9.025 1.00 1.16 O ATOM 1818 OE2 GLU A 74 -7.390 6.837 9.905 1.00 1.29 O ATOM 0 H GLU A 74 -5.599 7.872 6.020 1.00 0.34 H new ATOM 0 HA GLU A 74 -5.673 5.152 7.007 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -7.998 6.609 5.789 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -7.966 5.513 7.157 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -6.908 8.363 7.142 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.430 7.840 7.837 1.00 0.52 H new ATOM 1825 N TYR A 75 -5.675 5.818 3.881 1.00 0.26 N ATOM 1826 CA TYR A 75 -5.781 5.346 2.515 1.00 0.25 C ATOM 1827 C TYR A 75 -4.609 4.422 2.157 1.00 0.24 C ATOM 1828 O TYR A 75 -4.785 3.444 1.428 1.00 0.28 O ATOM 1829 CB TYR A 75 -5.841 6.549 1.570 1.00 0.25 C ATOM 1830 CG TYR A 75 -6.288 6.214 0.169 1.00 0.26 C ATOM 1831 CD1 TYR A 75 -5.445 5.532 -0.701 1.00 1.17 C ATOM 1832 CD2 TYR A 75 -7.553 6.575 -0.283 1.00 1.27 C ATOM 1833 CE1 TYR A 75 -5.845 5.216 -1.981 1.00 1.17 C ATOM 1834 CE2 TYR A 75 -7.956 6.260 -1.569 1.00 1.30 C ATOM 1835 CZ TYR A 75 -7.096 5.580 -2.411 1.00 0.38 C ATOM 1836 OH TYR A 75 -7.487 5.267 -3.689 1.00 0.47 O ATOM 0 H TYR A 75 -5.212 6.722 3.972 1.00 0.26 H new ATOM 0 HA TYR A 75 -6.695 4.762 2.409 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.521 7.292 1.988 1.00 0.25 H new ATOM 0 HB3 TYR A 75 -4.854 7.010 1.524 1.00 0.25 H new ATOM 0 HD1 TYR A 75 -4.459 5.245 -0.367 1.00 1.17 H new ATOM 0 HD2 TYR A 75 -8.226 7.105 0.375 1.00 1.27 H new ATOM 0 HE1 TYR A 75 -5.177 4.684 -2.643 1.00 1.17 H new ATOM 0 HE2 TYR A 75 -8.939 6.545 -1.914 1.00 1.30 H new ATOM 0 HH TYR A 75 -7.917 4.386 -3.693 1.00 0.47 H new ATOM 1846 N CYS A 76 -3.415 4.721 2.673 1.00 0.22 N ATOM 1847 CA CYS A 76 -2.243 3.888 2.402 1.00 0.21 C ATOM 1848 C CYS A 76 -2.475 2.480 2.920 1.00 0.15 C ATOM 1849 O CYS A 76 -2.180 1.487 2.247 1.00 0.17 O ATOM 1850 CB CYS A 76 -0.976 4.472 3.051 1.00 0.27 C ATOM 1851 SG CYS A 76 -0.970 4.485 4.858 1.00 1.65 S ATOM 0 H CYS A 76 -3.235 5.525 3.274 1.00 0.22 H new ATOM 0 HA CYS A 76 -2.095 3.864 1.322 1.00 0.21 H new ATOM 0 HB2 CYS A 76 -0.114 3.901 2.705 1.00 0.27 H new ATOM 0 HB3 CYS A 76 -0.844 5.494 2.696 1.00 0.27 H new ATOM 0 HG CYS A 76 -2.154 4.798 5.294 1.00 1.65 H new ATOM 1857 N VAL A 77 -3.029 2.408 4.115 1.00 0.16 N ATOM 1858 CA VAL A 77 -3.271 1.149 4.772 1.00 0.17 C ATOM 1859 C VAL A 77 -4.507 0.474 4.216 1.00 0.17 C ATOM 1860 O VAL A 77 -4.643 -0.741 4.309 1.00 0.19 O ATOM 1861 CB VAL A 77 -3.394 1.344 6.285 1.00 0.20 C ATOM 1862 CG1 VAL A 77 -2.081 1.866 6.819 1.00 0.23 C ATOM 1863 CG2 VAL A 77 -4.529 2.298 6.630 1.00 0.19 C ATOM 0 H VAL A 77 -3.322 3.223 4.653 1.00 0.16 H new ATOM 0 HA VAL A 77 -2.418 0.499 4.578 1.00 0.17 H new ATOM 0 HB VAL A 77 -3.626 0.385 6.749 1.00 0.20 H new ATOM 0 HG11 VAL A 77 -2.158 2.009 7.897 1.00 0.23 H new ATOM 0 HG12 VAL A 77 -1.289 1.148 6.603 1.00 0.23 H new ATOM 0 HG13 VAL A 77 -1.847 2.818 6.343 1.00 0.23 H new ATOM 0 HG21 VAL A 77 -4.590 2.415 7.712 1.00 0.19 H new ATOM 0 HG22 VAL A 77 -4.341 3.268 6.170 1.00 0.19 H new ATOM 0 HG23 VAL A 77 -5.470 1.895 6.255 1.00 0.19 H new ATOM 1873 N PHE A 78 -5.398 1.267 3.631 1.00 0.20 N ATOM 1874 CA PHE A 78 -6.516 0.731 2.889 1.00 0.22 C ATOM 1875 C PHE A 78 -5.994 -0.257 1.870 1.00 0.19 C ATOM 1876 O PHE A 78 -6.266 -1.444 1.956 1.00 0.18 O ATOM 1877 CB PHE A 78 -7.282 1.876 2.206 1.00 0.30 C ATOM 1878 CG PHE A 78 -8.267 1.461 1.151 1.00 0.22 C ATOM 1879 CD1 PHE A 78 -9.281 0.555 1.418 1.00 1.21 C ATOM 1880 CD2 PHE A 78 -8.176 2.000 -0.120 1.00 1.19 C ATOM 1881 CE1 PHE A 78 -10.182 0.195 0.435 1.00 1.20 C ATOM 1882 CE2 PHE A 78 -9.070 1.648 -1.104 1.00 1.21 C ATOM 1883 CZ PHE A 78 -10.077 0.743 -0.829 1.00 0.22 C ATOM 0 H PHE A 78 -5.361 2.286 3.661 1.00 0.20 H new ATOM 0 HA PHE A 78 -7.205 0.218 3.560 1.00 0.22 H new ATOM 0 HB2 PHE A 78 -7.814 2.441 2.972 1.00 0.30 H new ATOM 0 HB3 PHE A 78 -6.558 2.555 1.755 1.00 0.30 H new ATOM 0 HD1 PHE A 78 -9.368 0.126 2.405 1.00 1.21 H new ATOM 0 HD2 PHE A 78 -7.391 2.708 -0.343 1.00 1.19 H new ATOM 0 HE1 PHE A 78 -10.967 -0.514 0.654 1.00 1.20 H new ATOM 0 HE2 PHE A 78 -8.985 2.079 -2.091 1.00 1.21 H new ATOM 0 HZ PHE A 78 -10.780 0.465 -1.600 1.00 0.22 H new ATOM 1893 N LEU A 79 -5.165 0.235 0.972 1.00 0.20 N ATOM 1894 CA LEU A 79 -4.697 -0.553 -0.152 1.00 0.19 C ATOM 1895 C LEU A 79 -3.696 -1.614 0.237 1.00 0.16 C ATOM 1896 O LEU A 79 -3.837 -2.767 -0.143 1.00 0.18 O ATOM 1897 CB LEU A 79 -4.113 0.358 -1.212 1.00 0.22 C ATOM 1898 CG LEU A 79 -5.181 1.088 -1.996 1.00 0.15 C ATOM 1899 CD1 LEU A 79 -4.573 1.844 -3.161 1.00 0.16 C ATOM 1900 CD2 LEU A 79 -6.222 0.081 -2.451 1.00 0.16 C ATOM 0 H LEU A 79 -4.798 1.186 0.999 1.00 0.20 H new ATOM 0 HA LEU A 79 -5.564 -1.081 -0.550 1.00 0.19 H new ATOM 0 HB2 LEU A 79 -3.452 1.085 -0.739 1.00 0.22 H new ATOM 0 HB3 LEU A 79 -3.502 -0.230 -1.896 1.00 0.22 H new ATOM 0 HG LEU A 79 -5.665 1.832 -1.364 1.00 0.15 H new ATOM 0 HD11 LEU A 79 -5.360 2.361 -3.710 1.00 0.16 H new ATOM 0 HD12 LEU A 79 -3.853 2.572 -2.786 1.00 0.16 H new ATOM 0 HD13 LEU A 79 -4.068 1.143 -3.825 1.00 0.16 H new ATOM 0 HD21 LEU A 79 -7.000 0.593 -3.018 1.00 0.16 H new ATOM 0 HD22 LEU A 79 -5.749 -0.672 -3.081 1.00 0.16 H new ATOM 0 HD23 LEU A 79 -6.666 -0.402 -1.580 1.00 0.16 H new ATOM 1912 N SER A 80 -2.698 -1.251 0.999 1.00 0.15 N ATOM 1913 CA SER A 80 -1.640 -2.187 1.310 1.00 0.15 C ATOM 1914 C SER A 80 -2.193 -3.400 2.058 1.00 0.15 C ATOM 1915 O SER A 80 -1.678 -4.510 1.944 1.00 0.18 O ATOM 1916 CB SER A 80 -0.567 -1.476 2.104 1.00 0.17 C ATOM 1917 OG SER A 80 -0.144 -0.315 1.415 1.00 0.23 O ATOM 0 H SER A 80 -2.592 -0.325 1.414 1.00 0.15 H new ATOM 0 HA SER A 80 -1.197 -2.561 0.387 1.00 0.15 H new ATOM 0 HB2 SER A 80 -0.950 -1.206 3.088 1.00 0.17 H new ATOM 0 HB3 SER A 80 0.280 -2.143 2.264 1.00 0.17 H new ATOM 0 HG SER A 80 0.697 -0.500 0.947 1.00 0.23 H new ATOM 1923 N CYS A 81 -3.271 -3.188 2.790 1.00 0.14 N ATOM 1924 CA CYS A 81 -3.940 -4.274 3.475 1.00 0.15 C ATOM 1925 C CYS A 81 -4.842 -5.059 2.525 1.00 0.14 C ATOM 1926 O CYS A 81 -5.231 -6.189 2.825 1.00 0.16 O ATOM 1927 CB CYS A 81 -4.716 -3.737 4.667 1.00 0.17 C ATOM 1928 SG CYS A 81 -3.644 -3.121 5.983 1.00 0.22 S ATOM 0 H CYS A 81 -3.701 -2.273 2.924 1.00 0.14 H new ATOM 0 HA CYS A 81 -3.186 -4.970 3.842 1.00 0.15 H new ATOM 0 HB2 CYS A 81 -5.373 -2.933 4.334 1.00 0.17 H new ATOM 0 HB3 CYS A 81 -5.354 -4.526 5.064 1.00 0.17 H new ATOM 0 HG CYS A 81 -2.588 -2.571 5.461 1.00 0.22 H new ATOM 1934 N ILE A 82 -5.165 -4.477 1.371 1.00 0.13 N ATOM 1935 CA ILE A 82 -5.955 -5.193 0.380 1.00 0.14 C ATOM 1936 C ILE A 82 -5.046 -6.096 -0.446 1.00 0.17 C ATOM 1937 O ILE A 82 -5.520 -7.022 -1.078 1.00 0.21 O ATOM 1938 CB ILE A 82 -6.768 -4.274 -0.568 1.00 0.15 C ATOM 1939 CG1 ILE A 82 -7.516 -3.210 0.215 1.00 0.15 C ATOM 1940 CG2 ILE A 82 -7.783 -5.088 -1.358 1.00 0.16 C ATOM 1941 CD1 ILE A 82 -8.353 -2.307 -0.659 1.00 0.18 C ATOM 0 H ILE A 82 -4.896 -3.530 1.105 1.00 0.13 H new ATOM 0 HA ILE A 82 -6.685 -5.777 0.941 1.00 0.14 H new ATOM 0 HB ILE A 82 -6.060 -3.798 -1.246 1.00 0.15 H new ATOM 0 HG12 ILE A 82 -8.160 -3.694 0.949 1.00 0.15 H new ATOM 0 HG13 ILE A 82 -6.799 -2.605 0.770 1.00 0.15 H new ATOM 0 HG21 ILE A 82 -8.345 -4.427 -2.018 1.00 0.16 H new ATOM 0 HG22 ILE A 82 -7.263 -5.839 -1.953 1.00 0.16 H new ATOM 0 HG23 ILE A 82 -8.469 -5.581 -0.669 1.00 0.16 H new ATOM 0 HD11 ILE A 82 -8.861 -1.569 -0.038 1.00 0.18 H new ATOM 0 HD12 ILE A 82 -7.710 -1.797 -1.376 1.00 0.18 H new ATOM 0 HD13 ILE A 82 -9.093 -2.902 -1.194 1.00 0.18 H new ATOM 1953 N ALA A 83 -3.736 -5.824 -0.469 1.00 0.18 N ATOM 1954 CA ALA A 83 -2.791 -6.825 -0.963 1.00 0.23 C ATOM 1955 C ALA A 83 -2.895 -8.086 -0.134 1.00 0.20 C ATOM 1956 O ALA A 83 -3.072 -9.186 -0.659 1.00 0.21 O ATOM 1957 CB ALA A 83 -1.380 -6.320 -0.882 1.00 0.30 C ATOM 0 H ALA A 83 -3.318 -4.946 -0.161 1.00 0.18 H new ATOM 0 HA ALA A 83 -3.040 -7.032 -2.004 1.00 0.23 H new ATOM 0 HB1 ALA A 83 -0.698 -7.084 -1.255 1.00 0.30 H new ATOM 0 HB2 ALA A 83 -1.281 -5.418 -1.486 1.00 0.30 H new ATOM 0 HB3 ALA A 83 -1.135 -6.090 0.155 1.00 0.30 H new ATOM 1963 N MET A 84 -2.771 -7.907 1.174 1.00 0.22 N ATOM 1964 CA MET A 84 -2.913 -9.015 2.114 1.00 0.25 C ATOM 1965 C MET A 84 -4.275 -9.679 1.951 1.00 0.24 C ATOM 1966 O MET A 84 -4.417 -10.884 2.146 1.00 0.28 O ATOM 1967 CB MET A 84 -2.725 -8.536 3.552 1.00 0.30 C ATOM 1968 CG MET A 84 -1.275 -8.244 3.906 1.00 0.34 C ATOM 1969 SD MET A 84 -1.083 -7.608 5.580 1.00 0.36 S ATOM 1970 CE MET A 84 -1.947 -6.050 5.432 1.00 0.20 C ATOM 0 H MET A 84 -2.573 -7.006 1.610 1.00 0.22 H new ATOM 0 HA MET A 84 -2.137 -9.749 1.894 1.00 0.25 H new ATOM 0 HB2 MET A 84 -3.318 -7.635 3.707 1.00 0.30 H new ATOM 0 HB3 MET A 84 -3.112 -9.294 4.233 1.00 0.30 H new ATOM 0 HG2 MET A 84 -0.688 -9.156 3.799 1.00 0.34 H new ATOM 0 HG3 MET A 84 -0.871 -7.520 3.198 1.00 0.34 H new ATOM 0 HE1 MET A 84 -1.830 -5.480 6.354 1.00 0.20 H new ATOM 0 HE2 MET A 84 -1.532 -5.482 4.599 1.00 0.20 H new ATOM 0 HE3 MET A 84 -3.006 -6.237 5.252 1.00 0.20 H new ATOM 1980 N MET A 85 -5.268 -8.882 1.579 1.00 0.25 N ATOM 1981 CA MET A 85 -6.597 -9.397 1.298 1.00 0.36 C ATOM 1982 C MET A 85 -6.623 -10.103 -0.060 1.00 0.33 C ATOM 1983 O MET A 85 -7.241 -11.154 -0.208 1.00 0.43 O ATOM 1984 CB MET A 85 -7.631 -8.268 1.314 1.00 0.62 C ATOM 1985 CG MET A 85 -9.040 -8.757 1.034 1.00 0.77 C ATOM 1986 SD MET A 85 -9.815 -7.869 -0.320 1.00 0.67 S ATOM 1987 CE MET A 85 -10.393 -6.430 0.562 1.00 0.30 C ATOM 0 H MET A 85 -5.175 -7.873 1.465 1.00 0.25 H new ATOM 0 HA MET A 85 -6.851 -10.116 2.077 1.00 0.36 H new ATOM 0 HB2 MET A 85 -7.609 -7.775 2.286 1.00 0.62 H new ATOM 0 HB3 MET A 85 -7.357 -7.520 0.571 1.00 0.62 H new ATOM 0 HG2 MET A 85 -9.013 -9.821 0.799 1.00 0.77 H new ATOM 0 HG3 MET A 85 -9.646 -8.645 1.933 1.00 0.77 H new ATOM 0 HE1 MET A 85 -10.981 -5.804 -0.109 1.00 0.30 H new ATOM 0 HE2 MET A 85 -11.013 -6.743 1.402 1.00 0.30 H new ATOM 0 HE3 MET A 85 -9.539 -5.863 0.933 1.00 0.30 H new ATOM 1997 N CYS A 86 -5.942 -9.520 -1.043 1.00 0.32 N ATOM 1998 CA CYS A 86 -5.879 -10.079 -2.389 1.00 0.43 C ATOM 1999 C CYS A 86 -5.242 -11.462 -2.388 1.00 0.43 C ATOM 2000 O CYS A 86 -5.488 -12.254 -3.289 1.00 0.58 O ATOM 2001 CB CYS A 86 -5.096 -9.145 -3.318 1.00 0.49 C ATOM 2002 SG CYS A 86 -5.018 -9.699 -5.039 1.00 0.57 S ATOM 0 H CYS A 86 -5.421 -8.651 -0.929 1.00 0.32 H new ATOM 0 HA CYS A 86 -6.901 -10.176 -2.755 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -5.552 -8.156 -3.288 1.00 0.49 H new ATOM 0 HB3 CYS A 86 -4.080 -9.040 -2.936 1.00 0.49 H new ATOM 0 HG CYS A 86 -5.173 -10.989 -5.087 1.00 0.57 H new ATOM 2008 N ASN A 87 -4.423 -11.746 -1.377 1.00 0.36 N ATOM 2009 CA ASN A 87 -3.821 -13.069 -1.225 1.00 0.44 C ATOM 2010 C ASN A 87 -4.911 -14.137 -1.168 1.00 0.47 C ATOM 2011 O ASN A 87 -4.753 -15.231 -1.714 1.00 0.54 O ATOM 2012 CB ASN A 87 -2.967 -13.124 0.046 1.00 0.54 C ATOM 2013 CG ASN A 87 -2.328 -14.488 0.288 1.00 0.72 C ATOM 2014 OD1 ASN A 87 -1.925 -15.166 -0.776 1.00 1.43 O flip ATOM 2015 ND2 ASN A 87 -2.175 -14.912 1.431 1.00 1.23 N flip ATOM 0 H ASN A 87 -4.161 -11.078 -0.652 1.00 0.36 H new ATOM 0 HA ASN A 87 -3.180 -13.261 -2.085 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -2.183 -12.370 -0.019 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -3.588 -12.865 0.904 1.00 0.54 H new ATOM 0 HD21 ASN A 87 -2.498 -14.362 2.227 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -1.725 -15.814 1.584 1.00 1.23 H new ATOM 2022 N GLU A 88 -6.027 -13.784 -0.534 1.00 0.56 N ATOM 2023 CA GLU A 88 -7.190 -14.660 -0.442 1.00 0.70 C ATOM 2024 C GLU A 88 -7.615 -15.103 -1.839 1.00 0.73 C ATOM 2025 O GLU A 88 -7.778 -16.288 -2.112 1.00 0.82 O ATOM 2026 CB GLU A 88 -8.343 -13.904 0.230 1.00 0.96 C ATOM 2027 CG GLU A 88 -9.423 -14.793 0.818 1.00 1.81 C ATOM 2028 CD GLU A 88 -8.997 -15.419 2.126 1.00 2.18 C ATOM 2029 OE1 GLU A 88 -8.981 -14.706 3.150 1.00 2.60 O ATOM 2030 OE2 GLU A 88 -8.673 -16.618 2.138 1.00 2.78 O ATOM 0 H GLU A 88 -6.149 -12.884 -0.071 1.00 0.56 H new ATOM 0 HA GLU A 88 -6.935 -15.539 0.150 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -7.936 -13.277 1.023 1.00 0.96 H new ATOM 0 HB3 GLU A 88 -8.798 -13.237 -0.502 1.00 0.96 H new ATOM 0 HG2 GLU A 88 -10.328 -14.207 0.976 1.00 1.81 H new ATOM 0 HG3 GLU A 88 -9.672 -15.579 0.105 1.00 1.81 H new ATOM 2285 N ALA B 2 -3.291 -0.111 -17.639 1.00 0.34 N ATOM 2286 CA ALA B 2 -3.991 -1.152 -16.919 1.00 0.30 C ATOM 2287 C ALA B 2 -4.938 -0.508 -15.924 1.00 0.27 C ATOM 2288 O ALA B 2 -4.894 0.709 -15.748 1.00 0.36 O ATOM 2289 CB ALA B 2 -2.990 -2.055 -16.215 1.00 0.30 C ATOM 0 HA ALA B 2 -4.568 -1.765 -17.611 1.00 0.30 H new ATOM 0 HB1 ALA B 2 -3.523 -2.837 -15.674 1.00 0.30 H new ATOM 0 HB2 ALA B 2 -2.329 -2.510 -16.953 1.00 0.30 H new ATOM 0 HB3 ALA B 2 -2.400 -1.466 -15.513 1.00 0.30 H new ATOM 2295 N CYS B 3 -5.793 -1.299 -15.292 1.00 0.25 N ATOM 2296 CA CYS B 3 -6.668 -0.787 -14.254 1.00 0.23 C ATOM 2297 C CYS B 3 -5.818 -0.401 -13.056 1.00 0.17 C ATOM 2298 O CYS B 3 -5.330 -1.261 -12.324 1.00 0.17 O ATOM 2299 CB CYS B 3 -7.722 -1.826 -13.877 1.00 0.28 C ATOM 2300 SG CYS B 3 -8.784 -2.311 -15.257 1.00 0.39 S ATOM 0 H CYS B 3 -5.897 -2.296 -15.481 1.00 0.25 H new ATOM 0 HA CYS B 3 -7.201 0.092 -14.615 1.00 0.23 H new ATOM 0 HB2 CYS B 3 -7.223 -2.712 -13.484 1.00 0.28 H new ATOM 0 HB3 CYS B 3 -8.342 -1.428 -13.074 1.00 0.28 H new ATOM 0 HG CYS B 3 -9.646 -3.195 -14.851 1.00 0.39 H new ATOM 2306 N PRO B 4 -5.622 0.909 -12.869 1.00 0.16 N ATOM 2307 CA PRO B 4 -4.625 1.457 -11.942 1.00 0.13 C ATOM 2308 C PRO B 4 -4.698 0.875 -10.539 1.00 0.12 C ATOM 2309 O PRO B 4 -3.759 0.224 -10.075 1.00 0.12 O ATOM 2310 CB PRO B 4 -4.988 2.938 -11.914 1.00 0.17 C ATOM 2311 CG PRO B 4 -5.555 3.197 -13.256 1.00 0.20 C ATOM 2312 CD PRO B 4 -6.372 1.980 -13.558 1.00 0.20 C ATOM 0 HA PRO B 4 -3.610 1.231 -12.267 1.00 0.13 H new ATOM 0 HB2 PRO B 4 -5.710 3.156 -11.127 1.00 0.17 H new ATOM 0 HB3 PRO B 4 -4.113 3.559 -11.725 1.00 0.17 H new ATOM 0 HG2 PRO B 4 -6.168 4.098 -13.261 1.00 0.20 H new ATOM 0 HG3 PRO B 4 -4.770 3.342 -13.998 1.00 0.20 H new ATOM 0 HD2 PRO B 4 -7.390 2.071 -13.179 1.00 0.20 H new ATOM 0 HD3 PRO B 4 -6.446 1.798 -14.630 1.00 0.20 H new ATOM 2320 N LEU B 5 -5.825 1.080 -9.877 1.00 0.13 N ATOM 2321 CA LEU B 5 -5.973 0.658 -8.496 1.00 0.14 C ATOM 2322 C LEU B 5 -6.067 -0.863 -8.417 1.00 0.16 C ATOM 2323 O LEU B 5 -5.638 -1.464 -7.437 1.00 0.22 O ATOM 2324 CB LEU B 5 -7.201 1.322 -7.872 1.00 0.15 C ATOM 2325 CG LEU B 5 -7.012 1.872 -6.460 1.00 0.16 C ATOM 2326 CD1 LEU B 5 -6.868 0.744 -5.472 1.00 0.18 C ATOM 2327 CD2 LEU B 5 -5.799 2.782 -6.386 1.00 0.17 C ATOM 0 H LEU B 5 -6.648 1.535 -10.273 1.00 0.13 H new ATOM 0 HA LEU B 5 -5.095 0.971 -7.930 1.00 0.14 H new ATOM 0 HB2 LEU B 5 -7.518 2.139 -8.520 1.00 0.15 H new ATOM 0 HB3 LEU B 5 -8.014 0.596 -7.853 1.00 0.15 H new ATOM 0 HG LEU B 5 -7.897 2.457 -6.207 1.00 0.16 H new ATOM 0 HD11 LEU B 5 -6.734 1.153 -4.470 1.00 0.18 H new ATOM 0 HD12 LEU B 5 -7.764 0.124 -5.494 1.00 0.18 H new ATOM 0 HD13 LEU B 5 -6.001 0.138 -5.736 1.00 0.18 H new ATOM 0 HD21 LEU B 5 -5.689 3.159 -5.369 1.00 0.17 H new ATOM 0 HD22 LEU B 5 -4.906 2.222 -6.664 1.00 0.17 H new ATOM 0 HD23 LEU B 5 -5.930 3.619 -7.071 1.00 0.17 H new ATOM 2339 N GLU B 6 -6.610 -1.482 -9.463 1.00 0.16 N ATOM 2340 CA GLU B 6 -6.658 -2.937 -9.546 1.00 0.20 C ATOM 2341 C GLU B 6 -5.252 -3.511 -9.464 1.00 0.18 C ATOM 2342 O GLU B 6 -4.969 -4.398 -8.655 1.00 0.23 O ATOM 2343 CB GLU B 6 -7.299 -3.387 -10.858 1.00 0.29 C ATOM 2344 CG GLU B 6 -7.272 -4.894 -11.051 1.00 0.43 C ATOM 2345 CD GLU B 6 -7.459 -5.304 -12.494 1.00 0.90 C ATOM 2346 OE1 GLU B 6 -6.475 -5.247 -13.261 1.00 1.39 O ATOM 2347 OE2 GLU B 6 -8.581 -5.694 -12.865 1.00 1.79 O ATOM 0 H GLU B 6 -7.021 -0.999 -10.262 1.00 0.16 H new ATOM 0 HA GLU B 6 -7.258 -3.301 -8.712 1.00 0.20 H new ATOM 0 HB2 GLU B 6 -8.333 -3.042 -10.887 1.00 0.29 H new ATOM 0 HB3 GLU B 6 -6.780 -2.911 -11.690 1.00 0.29 H new ATOM 0 HG2 GLU B 6 -6.322 -5.285 -10.687 1.00 0.43 H new ATOM 0 HG3 GLU B 6 -8.056 -5.347 -10.445 1.00 0.43 H new ATOM 2354 N LYS B 7 -4.375 -2.984 -10.311 1.00 0.16 N ATOM 2355 CA LYS B 7 -3.001 -3.440 -10.381 1.00 0.18 C ATOM 2356 C LYS B 7 -2.294 -3.256 -9.047 1.00 0.17 C ATOM 2357 O LYS B 7 -1.522 -4.110 -8.645 1.00 0.19 O ATOM 2358 CB LYS B 7 -2.249 -2.703 -11.496 1.00 0.25 C ATOM 2359 CG LYS B 7 -2.643 -3.136 -12.904 1.00 0.41 C ATOM 2360 CD LYS B 7 -1.964 -4.437 -13.314 1.00 0.90 C ATOM 2361 CE LYS B 7 -2.600 -5.661 -12.674 1.00 0.84 C ATOM 2362 NZ LYS B 7 -3.884 -6.039 -13.326 1.00 1.18 N ATOM 0 H LYS B 7 -4.600 -2.233 -10.963 1.00 0.16 H new ATOM 0 HA LYS B 7 -3.009 -4.505 -10.612 1.00 0.18 H new ATOM 0 HB2 LYS B 7 -2.427 -1.633 -11.393 1.00 0.25 H new ATOM 0 HB3 LYS B 7 -1.179 -2.862 -11.365 1.00 0.25 H new ATOM 0 HG2 LYS B 7 -3.725 -3.260 -12.955 1.00 0.41 H new ATOM 0 HG3 LYS B 7 -2.378 -2.351 -13.612 1.00 0.41 H new ATOM 0 HD2 LYS B 7 -2.005 -4.537 -14.399 1.00 0.90 H new ATOM 0 HD3 LYS B 7 -0.910 -4.394 -13.038 1.00 0.90 H new ATOM 0 HE2 LYS B 7 -1.906 -6.500 -12.731 1.00 0.84 H new ATOM 0 HE3 LYS B 7 -2.777 -5.465 -11.616 1.00 0.84 H new ATOM 0 HZ1 LYS B 7 -4.106 -7.031 -13.106 1.00 1.18 H new ATOM 0 HZ2 LYS B 7 -4.646 -5.426 -12.972 1.00 1.18 H new ATOM 0 HZ3 LYS B 7 -3.797 -5.924 -14.356 1.00 1.18 H new ATOM 2376 N ALA B 8 -2.588 -2.161 -8.357 1.00 0.17 N ATOM 2377 CA ALA B 8 -1.957 -1.861 -7.072 1.00 0.17 C ATOM 2378 C ALA B 8 -1.955 -3.066 -6.130 1.00 0.17 C ATOM 2379 O ALA B 8 -0.906 -3.444 -5.612 1.00 0.22 O ATOM 2380 CB ALA B 8 -2.641 -0.679 -6.407 1.00 0.18 C ATOM 0 H ALA B 8 -3.263 -1.461 -8.666 1.00 0.17 H new ATOM 0 HA ALA B 8 -0.917 -1.607 -7.279 1.00 0.17 H new ATOM 0 HB1 ALA B 8 -2.159 -0.470 -5.452 1.00 0.18 H new ATOM 0 HB2 ALA B 8 -2.564 0.196 -7.052 1.00 0.18 H new ATOM 0 HB3 ALA B 8 -3.692 -0.914 -6.239 1.00 0.18 H new ATOM 2386 N LEU B 9 -3.115 -3.682 -5.918 1.00 0.13 N ATOM 2387 CA LEU B 9 -3.205 -4.833 -5.018 1.00 0.12 C ATOM 2388 C LEU B 9 -2.681 -6.083 -5.708 1.00 0.14 C ATOM 2389 O LEU B 9 -1.986 -6.898 -5.098 1.00 0.18 O ATOM 2390 CB LEU B 9 -4.643 -5.083 -4.532 1.00 0.13 C ATOM 2391 CG LEU B 9 -5.323 -3.909 -3.821 1.00 0.13 C ATOM 2392 CD1 LEU B 9 -4.363 -3.245 -2.868 1.00 0.15 C ATOM 2393 CD2 LEU B 9 -5.866 -2.893 -4.805 1.00 0.13 C ATOM 0 H LEU B 9 -3.998 -3.409 -6.351 1.00 0.13 H new ATOM 0 HA LEU B 9 -2.592 -4.603 -4.146 1.00 0.12 H new ATOM 0 HB2 LEU B 9 -5.252 -5.365 -5.391 1.00 0.13 H new ATOM 0 HB3 LEU B 9 -4.634 -5.937 -3.854 1.00 0.13 H new ATOM 0 HG LEU B 9 -6.166 -4.311 -3.259 1.00 0.13 H new ATOM 0 HD11 LEU B 9 -4.861 -2.413 -2.371 1.00 0.15 H new ATOM 0 HD12 LEU B 9 -4.032 -3.968 -2.122 1.00 0.15 H new ATOM 0 HD13 LEU B 9 -3.500 -2.873 -3.421 1.00 0.15 H new ATOM 0 HD21 LEU B 9 -6.340 -2.077 -4.260 1.00 0.13 H new ATOM 0 HD22 LEU B 9 -5.049 -2.499 -5.410 1.00 0.13 H new ATOM 0 HD23 LEU B 9 -6.600 -3.371 -5.454 1.00 0.13 H new ATOM 2405 N ASP B 10 -3.015 -6.213 -6.985 1.00 0.14 N ATOM 2406 CA ASP B 10 -2.596 -7.352 -7.795 1.00 0.16 C ATOM 2407 C ASP B 10 -1.081 -7.512 -7.771 1.00 0.15 C ATOM 2408 O ASP B 10 -0.559 -8.596 -7.516 1.00 0.19 O ATOM 2409 CB ASP B 10 -3.072 -7.155 -9.239 1.00 0.20 C ATOM 2410 CG ASP B 10 -2.612 -8.252 -10.182 1.00 0.51 C ATOM 2411 OD1 ASP B 10 -1.477 -8.170 -10.698 1.00 1.19 O ATOM 2412 OD2 ASP B 10 -3.399 -9.185 -10.444 1.00 1.22 O ATOM 0 H ASP B 10 -3.584 -5.533 -7.489 1.00 0.14 H new ATOM 0 HA ASP B 10 -3.042 -8.255 -7.378 1.00 0.16 H new ATOM 0 HB2 ASP B 10 -4.161 -7.109 -9.251 1.00 0.20 H new ATOM 0 HB3 ASP B 10 -2.708 -6.195 -9.606 1.00 0.20 H new ATOM 2417 N VAL B 11 -0.384 -6.414 -8.000 1.00 0.15 N ATOM 2418 CA VAL B 11 1.059 -6.440 -8.149 1.00 0.16 C ATOM 2419 C VAL B 11 1.775 -6.567 -6.812 1.00 0.16 C ATOM 2420 O VAL B 11 2.941 -6.946 -6.776 1.00 0.20 O ATOM 2421 CB VAL B 11 1.572 -5.190 -8.882 1.00 0.18 C ATOM 2422 CG1 VAL B 11 0.826 -5.014 -10.194 1.00 0.21 C ATOM 2423 CG2 VAL B 11 1.443 -3.952 -8.006 1.00 0.17 C ATOM 0 H VAL B 11 -0.798 -5.486 -8.087 1.00 0.15 H new ATOM 0 HA VAL B 11 1.284 -7.324 -8.745 1.00 0.16 H new ATOM 0 HB VAL B 11 2.631 -5.325 -9.102 1.00 0.18 H new ATOM 0 HG11 VAL B 11 1.196 -4.126 -10.707 1.00 0.21 H new ATOM 0 HG12 VAL B 11 0.986 -5.889 -10.824 1.00 0.21 H new ATOM 0 HG13 VAL B 11 -0.239 -4.900 -9.994 1.00 0.21 H new ATOM 0 HG21 VAL B 11 1.813 -3.082 -8.549 1.00 0.17 H new ATOM 0 HG22 VAL B 11 0.396 -3.798 -7.745 1.00 0.17 H new ATOM 0 HG23 VAL B 11 2.028 -4.088 -7.096 1.00 0.17 H new ATOM 2433 N MET B 12 1.093 -6.252 -5.715 1.00 0.16 N ATOM 2434 CA MET B 12 1.699 -6.413 -4.397 1.00 0.20 C ATOM 2435 C MET B 12 2.010 -7.878 -4.144 1.00 0.23 C ATOM 2436 O MET B 12 3.087 -8.216 -3.670 1.00 0.39 O ATOM 2437 CB MET B 12 0.802 -5.891 -3.281 1.00 0.27 C ATOM 2438 CG MET B 12 0.655 -4.380 -3.238 1.00 0.16 C ATOM 2439 SD MET B 12 0.034 -3.818 -1.647 1.00 0.78 S ATOM 2440 CE MET B 12 -0.183 -2.088 -1.955 1.00 0.19 C ATOM 0 H MET B 12 0.139 -5.891 -5.710 1.00 0.16 H new ATOM 0 HA MET B 12 2.617 -5.825 -4.392 1.00 0.20 H new ATOM 0 HB2 MET B 12 -0.187 -6.335 -3.391 1.00 0.27 H new ATOM 0 HB3 MET B 12 1.200 -6.231 -2.325 1.00 0.27 H new ATOM 0 HG2 MET B 12 1.620 -3.915 -3.437 1.00 0.16 H new ATOM 0 HG3 MET B 12 -0.023 -4.058 -4.028 1.00 0.16 H new ATOM 0 HE1 MET B 12 0.527 -1.520 -1.354 1.00 0.19 H new ATOM 0 HE2 MET B 12 -0.011 -1.882 -3.011 1.00 0.19 H new ATOM 0 HE3 MET B 12 -1.199 -1.796 -1.689 1.00 0.19 H new ATOM 2450 N VAL B 13 1.066 -8.749 -4.482 1.00 0.18 N ATOM 2451 CA VAL B 13 1.262 -10.182 -4.304 1.00 0.19 C ATOM 2452 C VAL B 13 1.906 -10.807 -5.545 1.00 0.19 C ATOM 2453 O VAL B 13 2.491 -11.888 -5.475 1.00 0.25 O ATOM 2454 CB VAL B 13 -0.060 -10.911 -3.969 1.00 0.20 C ATOM 2455 CG1 VAL B 13 -0.578 -10.472 -2.612 1.00 0.21 C ATOM 2456 CG2 VAL B 13 -1.116 -10.666 -5.035 1.00 0.22 C ATOM 0 H VAL B 13 0.163 -8.490 -4.878 1.00 0.18 H new ATOM 0 HA VAL B 13 1.936 -10.305 -3.456 1.00 0.19 H new ATOM 0 HB VAL B 13 0.150 -11.980 -3.942 1.00 0.20 H new ATOM 0 HG11 VAL B 13 -1.509 -10.994 -2.391 1.00 0.21 H new ATOM 0 HG12 VAL B 13 0.161 -10.709 -1.847 1.00 0.21 H new ATOM 0 HG13 VAL B 13 -0.759 -9.397 -2.622 1.00 0.21 H new ATOM 0 HG21 VAL B 13 -2.032 -11.193 -4.768 1.00 0.22 H new ATOM 0 HG22 VAL B 13 -1.320 -9.598 -5.107 1.00 0.22 H new ATOM 0 HG23 VAL B 13 -0.754 -11.032 -5.996 1.00 0.22 H new ATOM 2466 N SER B 14 1.810 -10.112 -6.673 1.00 0.18 N ATOM 2467 CA SER B 14 2.409 -10.582 -7.916 1.00 0.21 C ATOM 2468 C SER B 14 3.917 -10.327 -7.925 1.00 0.23 C ATOM 2469 O SER B 14 4.710 -11.268 -8.000 1.00 0.26 O ATOM 2470 CB SER B 14 1.742 -9.900 -9.115 1.00 0.23 C ATOM 2471 OG SER B 14 2.296 -10.347 -10.340 1.00 1.12 O ATOM 0 H SER B 14 1.322 -9.220 -6.752 1.00 0.18 H new ATOM 0 HA SER B 14 2.248 -11.658 -7.990 1.00 0.21 H new ATOM 0 HB2 SER B 14 0.671 -10.105 -9.102 1.00 0.23 H new ATOM 0 HB3 SER B 14 1.861 -8.820 -9.033 1.00 0.23 H new ATOM 0 HG SER B 14 1.849 -9.895 -11.086 1.00 1.12 H new ATOM 2477 N THR B 15 4.311 -9.057 -7.819 1.00 0.24 N ATOM 2478 CA THR B 15 5.723 -8.683 -7.803 1.00 0.26 C ATOM 2479 C THR B 15 6.403 -9.292 -6.579 1.00 0.28 C ATOM 2480 O THR B 15 7.611 -9.526 -6.570 1.00 0.31 O ATOM 2481 CB THR B 15 5.891 -7.148 -7.790 1.00 0.27 C ATOM 2482 OG1 THR B 15 4.916 -6.552 -8.657 1.00 0.33 O ATOM 2483 CG2 THR B 15 7.290 -6.737 -8.246 1.00 0.25 C ATOM 0 H THR B 15 3.668 -8.269 -7.743 1.00 0.24 H new ATOM 0 HA THR B 15 6.191 -9.068 -8.709 1.00 0.26 H new ATOM 0 HB THR B 15 5.748 -6.800 -6.767 1.00 0.27 H new ATOM 0 HG1 THR B 15 4.072 -6.439 -8.172 1.00 0.33 H new ATOM 0 HG21 THR B 15 7.375 -5.651 -8.225 1.00 0.25 H new ATOM 0 HG22 THR B 15 8.033 -7.172 -7.577 1.00 0.25 H new ATOM 0 HG23 THR B 15 7.462 -7.095 -9.261 1.00 0.25 H new ATOM 2491 N PHE B 16 5.595 -9.544 -5.553 1.00 0.30 N ATOM 2492 CA PHE B 16 6.015 -10.300 -4.381 1.00 0.36 C ATOM 2493 C PHE B 16 6.694 -11.595 -4.818 1.00 0.40 C ATOM 2494 O PHE B 16 7.906 -11.744 -4.686 1.00 0.51 O ATOM 2495 CB PHE B 16 4.778 -10.605 -3.531 1.00 0.44 C ATOM 2496 CG PHE B 16 5.046 -11.222 -2.192 1.00 0.34 C ATOM 2497 CD1 PHE B 16 5.339 -10.426 -1.099 1.00 1.21 C ATOM 2498 CD2 PHE B 16 4.970 -12.593 -2.020 1.00 1.27 C ATOM 2499 CE1 PHE B 16 5.560 -10.987 0.142 1.00 1.38 C ATOM 2500 CE2 PHE B 16 5.187 -13.159 -0.783 1.00 1.42 C ATOM 2501 CZ PHE B 16 5.483 -12.355 0.300 1.00 0.97 C ATOM 0 H PHE B 16 4.626 -9.227 -5.513 1.00 0.30 H new ATOM 0 HA PHE B 16 6.728 -9.721 -3.794 1.00 0.36 H new ATOM 0 HB2 PHE B 16 4.226 -9.677 -3.379 1.00 0.44 H new ATOM 0 HB3 PHE B 16 4.128 -11.274 -4.095 1.00 0.44 H new ATOM 0 HD1 PHE B 16 5.395 -9.354 -1.218 1.00 1.21 H new ATOM 0 HD2 PHE B 16 4.738 -13.226 -2.864 1.00 1.27 H new ATOM 0 HE1 PHE B 16 5.793 -10.357 0.987 1.00 1.38 H new ATOM 0 HE2 PHE B 16 5.126 -14.230 -0.660 1.00 1.42 H new ATOM 0 HZ PHE B 16 5.654 -12.797 1.270 1.00 0.97 H new ATOM 2511 N HIS B 17 5.903 -12.499 -5.397 1.00 0.41 N ATOM 2512 CA HIS B 17 6.401 -13.791 -5.875 1.00 0.51 C ATOM 2513 C HIS B 17 7.418 -13.611 -6.990 1.00 0.45 C ATOM 2514 O HIS B 17 8.255 -14.480 -7.228 1.00 0.51 O ATOM 2515 CB HIS B 17 5.251 -14.658 -6.394 1.00 0.68 C ATOM 2516 CG HIS B 17 4.399 -15.243 -5.317 1.00 1.09 C ATOM 2517 ND1 HIS B 17 3.410 -14.697 -4.574 1.00 2.16 N flip ATOM 2518 CD2 HIS B 17 4.513 -16.547 -4.897 1.00 1.26 C flip ATOM 2519 CE1 HIS B 17 2.955 -15.669 -3.724 1.00 2.82 C flip ATOM 2520 NE2 HIS B 17 3.637 -16.776 -3.943 1.00 2.30 N flip ATOM 0 H HIS B 17 4.904 -12.358 -5.548 1.00 0.41 H new ATOM 0 HA HIS B 17 6.880 -14.283 -5.028 1.00 0.51 H new ATOM 0 HB2 HIS B 17 4.624 -14.056 -7.053 1.00 0.68 H new ATOM 0 HB3 HIS B 17 5.663 -15.467 -6.997 1.00 0.68 H new ATOM 0 HD1 HIS B 17 3.067 -13.739 -4.635 1.00 2.16 H new ATOM 0 HD2 HIS B 17 5.213 -17.270 -5.289 1.00 1.26 H new ATOM 0 HE1 HIS B 17 2.168 -15.549 -2.995 1.00 2.82 H new ATOM 2529 N LYS B 18 7.328 -12.485 -7.675 1.00 0.42 N ATOM 2530 CA LYS B 18 8.209 -12.183 -8.793 1.00 0.46 C ATOM 2531 C LYS B 18 9.667 -12.095 -8.339 1.00 0.45 C ATOM 2532 O LYS B 18 10.570 -12.468 -9.083 1.00 0.62 O ATOM 2533 CB LYS B 18 7.759 -10.873 -9.453 1.00 0.55 C ATOM 2534 CG LYS B 18 8.574 -10.449 -10.665 1.00 0.76 C ATOM 2535 CD LYS B 18 8.055 -9.136 -11.236 1.00 0.71 C ATOM 2536 CE LYS B 18 8.941 -8.619 -12.359 1.00 1.40 C ATOM 2537 NZ LYS B 18 8.455 -7.323 -12.903 1.00 1.67 N ATOM 0 H LYS B 18 6.645 -11.755 -7.474 1.00 0.42 H new ATOM 0 HA LYS B 18 8.146 -12.991 -9.522 1.00 0.46 H new ATOM 0 HB2 LYS B 18 6.716 -10.975 -9.753 1.00 0.55 H new ATOM 0 HB3 LYS B 18 7.800 -10.077 -8.710 1.00 0.55 H new ATOM 0 HG2 LYS B 18 9.621 -10.339 -10.384 1.00 0.76 H new ATOM 0 HG3 LYS B 18 8.529 -11.226 -11.429 1.00 0.76 H new ATOM 0 HD2 LYS B 18 7.041 -9.278 -11.609 1.00 0.71 H new ATOM 0 HD3 LYS B 18 8.002 -8.390 -10.443 1.00 0.71 H new ATOM 0 HE2 LYS B 18 9.960 -8.498 -11.990 1.00 1.40 H new ATOM 0 HE3 LYS B 18 8.978 -9.357 -13.160 1.00 1.40 H new ATOM 0 HZ1 LYS B 18 8.933 -7.124 -13.805 1.00 1.67 H new ATOM 0 HZ2 LYS B 18 7.428 -7.375 -13.059 1.00 1.67 H new ATOM 0 HZ3 LYS B 18 8.664 -6.562 -12.226 1.00 1.67 H new ATOM 2551 N TYR B 19 9.897 -11.626 -7.113 1.00 0.39 N ATOM 2552 CA TYR B 19 11.264 -11.426 -6.631 1.00 0.43 C ATOM 2553 C TYR B 19 11.588 -12.230 -5.375 1.00 0.50 C ATOM 2554 O TYR B 19 12.732 -12.622 -5.190 1.00 0.74 O ATOM 2555 CB TYR B 19 11.534 -9.942 -6.389 1.00 0.46 C ATOM 2556 CG TYR B 19 11.571 -9.137 -7.664 1.00 0.41 C ATOM 2557 CD1 TYR B 19 12.733 -9.047 -8.416 1.00 1.17 C ATOM 2558 CD2 TYR B 19 10.442 -8.479 -8.123 1.00 1.17 C ATOM 2559 CE1 TYR B 19 12.765 -8.329 -9.593 1.00 1.21 C ATOM 2560 CE2 TYR B 19 10.469 -7.755 -9.296 1.00 1.17 C ATOM 2561 CZ TYR B 19 11.631 -7.685 -10.027 1.00 0.50 C ATOM 2562 OH TYR B 19 11.657 -6.982 -11.206 1.00 0.61 O ATOM 0 H TYR B 19 9.167 -11.381 -6.444 1.00 0.39 H new ATOM 0 HA TYR B 19 11.921 -11.797 -7.417 1.00 0.43 H new ATOM 0 HB2 TYR B 19 10.762 -9.540 -5.733 1.00 0.46 H new ATOM 0 HB3 TYR B 19 12.485 -9.831 -5.867 1.00 0.46 H new ATOM 0 HD1 TYR B 19 13.627 -9.547 -8.074 1.00 1.17 H new ATOM 0 HD2 TYR B 19 9.526 -8.534 -7.553 1.00 1.17 H new ATOM 0 HE1 TYR B 19 13.676 -8.273 -10.170 1.00 1.21 H new ATOM 0 HE2 TYR B 19 9.581 -7.245 -9.639 1.00 1.17 H new ATOM 0 HH TYR B 19 10.775 -6.587 -11.371 1.00 0.61 H new ATOM 2572 N SER B 20 10.600 -12.479 -4.521 1.00 0.41 N ATOM 2573 CA SER B 20 10.852 -13.144 -3.240 1.00 0.48 C ATOM 2574 C SER B 20 11.510 -14.510 -3.432 1.00 0.57 C ATOM 2575 O SER B 20 12.569 -14.790 -2.865 1.00 0.70 O ATOM 2576 CB SER B 20 9.543 -13.300 -2.463 1.00 0.49 C ATOM 2577 OG SER B 20 8.560 -13.963 -3.241 1.00 0.53 O ATOM 0 H SER B 20 9.624 -12.234 -4.687 1.00 0.41 H new ATOM 0 HA SER B 20 11.541 -12.519 -2.672 1.00 0.48 H new ATOM 0 HB2 SER B 20 9.726 -13.862 -1.547 1.00 0.49 H new ATOM 0 HB3 SER B 20 9.174 -12.318 -2.166 1.00 0.49 H new ATOM 0 HG SER B 20 8.137 -13.322 -3.849 1.00 0.53 H new ATOM 2583 N GLY B 21 10.892 -15.348 -4.251 1.00 0.57 N ATOM 2584 CA GLY B 21 11.381 -16.697 -4.443 1.00 0.68 C ATOM 2585 C GLY B 21 12.461 -16.806 -5.503 1.00 0.71 C ATOM 2586 O GLY B 21 12.498 -17.783 -6.255 1.00 0.86 O ATOM 0 H GLY B 21 10.057 -15.116 -4.788 1.00 0.57 H new ATOM 0 HA2 GLY B 21 11.773 -17.071 -3.497 1.00 0.68 H new ATOM 0 HA3 GLY B 21 10.546 -17.341 -4.719 1.00 0.68 H new ATOM 2688 N LYS B 28 9.341 -14.495 1.488 1.00 0.69 N ATOM 2689 CA LYS B 28 10.237 -13.566 2.142 1.00 0.68 C ATOM 2690 C LYS B 28 11.132 -12.873 1.134 1.00 0.50 C ATOM 2691 O LYS B 28 11.907 -13.516 0.431 1.00 0.54 O ATOM 2692 CB LYS B 28 11.101 -14.281 3.182 1.00 0.92 C ATOM 2693 CG LYS B 28 10.325 -14.843 4.362 1.00 0.93 C ATOM 2694 CD LYS B 28 9.582 -13.750 5.114 1.00 0.98 C ATOM 2695 CE LYS B 28 9.028 -14.257 6.432 1.00 1.51 C ATOM 2696 NZ LYS B 28 10.104 -14.669 7.371 1.00 1.98 N ATOM 0 HA LYS B 28 9.622 -12.818 2.643 1.00 0.68 H new ATOM 0 HB2 LYS B 28 11.637 -15.095 2.694 1.00 0.92 H new ATOM 0 HB3 LYS B 28 11.851 -13.584 3.555 1.00 0.92 H new ATOM 0 HG2 LYS B 28 9.614 -15.590 4.008 1.00 0.93 H new ATOM 0 HG3 LYS B 28 11.010 -15.351 5.040 1.00 0.93 H new ATOM 0 HD2 LYS B 28 10.255 -12.913 5.299 1.00 0.98 H new ATOM 0 HD3 LYS B 28 8.767 -13.373 4.497 1.00 0.98 H new ATOM 0 HE2 LYS B 28 8.423 -13.477 6.894 1.00 1.51 H new ATOM 0 HE3 LYS B 28 8.367 -15.103 6.245 1.00 1.51 H new ATOM 0 HZ1 LYS B 28 9.741 -14.650 8.345 1.00 1.98 H new ATOM 0 HZ2 LYS B 28 10.418 -15.633 7.138 1.00 1.98 H new ATOM 0 HZ3 LYS B 28 10.907 -14.013 7.288 1.00 1.98 H new ATOM 2710 N LEU B 29 11.021 -11.559 1.066 1.00 0.38 N ATOM 2711 CA LEU B 29 11.941 -10.775 0.266 1.00 0.32 C ATOM 2712 C LEU B 29 13.035 -10.226 1.156 1.00 0.33 C ATOM 2713 O LEU B 29 12.793 -9.338 1.973 1.00 0.42 O ATOM 2714 CB LEU B 29 11.246 -9.613 -0.450 1.00 0.29 C ATOM 2715 CG LEU B 29 10.229 -10.006 -1.518 1.00 0.29 C ATOM 2716 CD1 LEU B 29 8.842 -10.118 -0.918 1.00 0.34 C ATOM 2717 CD2 LEU B 29 10.243 -9.000 -2.656 1.00 0.31 C ATOM 0 H LEU B 29 10.307 -11.016 1.552 1.00 0.38 H new ATOM 0 HA LEU B 29 12.356 -11.434 -0.497 1.00 0.32 H new ATOM 0 HB2 LEU B 29 10.742 -9.000 0.297 1.00 0.29 H new ATOM 0 HB3 LEU B 29 12.009 -8.988 -0.914 1.00 0.29 H new ATOM 0 HG LEU B 29 10.506 -10.982 -1.918 1.00 0.29 H new ATOM 0 HD11 LEU B 29 8.131 -10.399 -1.695 1.00 0.34 H new ATOM 0 HD12 LEU B 29 8.844 -10.877 -0.136 1.00 0.34 H new ATOM 0 HD13 LEU B 29 8.552 -9.158 -0.491 1.00 0.34 H new ATOM 0 HD21 LEU B 29 9.513 -9.293 -3.410 1.00 0.31 H new ATOM 0 HD22 LEU B 29 9.990 -8.012 -2.271 1.00 0.31 H new ATOM 0 HD23 LEU B 29 11.236 -8.972 -3.104 1.00 0.31 H new ATOM 2729 N ASN B 30 14.231 -10.768 1.023 1.00 0.31 N ATOM 2730 CA ASN B 30 15.362 -10.253 1.767 1.00 0.31 C ATOM 2731 C ASN B 30 15.882 -8.999 1.079 1.00 0.27 C ATOM 2732 O ASN B 30 15.289 -8.538 0.099 1.00 0.26 O ATOM 2733 CB ASN B 30 16.476 -11.300 1.900 1.00 0.35 C ATOM 2734 CG ASN B 30 17.263 -11.496 0.624 1.00 0.58 C ATOM 2735 OD1 ASN B 30 18.236 -10.788 0.361 1.00 1.17 O ATOM 2736 ND2 ASN B 30 16.867 -12.467 -0.168 1.00 0.60 N ATOM 0 H ASN B 30 14.442 -11.557 0.412 1.00 0.31 H new ATOM 0 HA ASN B 30 15.033 -10.007 2.777 1.00 0.31 H new ATOM 0 HB2 ASN B 30 17.156 -10.998 2.696 1.00 0.35 H new ATOM 0 HB3 ASN B 30 16.037 -12.252 2.199 1.00 0.35 H new ATOM 0 HD21 ASN B 30 17.371 -12.656 -1.035 1.00 0.60 H new ATOM 0 HD22 ASN B 30 16.056 -13.032 0.084 1.00 0.60 H new ATOM 2743 N LYS B 31 16.977 -8.453 1.597 1.00 0.27 N ATOM 2744 CA LYS B 31 17.560 -7.219 1.074 1.00 0.26 C ATOM 2745 C LYS B 31 17.675 -7.250 -0.454 1.00 0.25 C ATOM 2746 O LYS B 31 17.198 -6.354 -1.144 1.00 0.28 O ATOM 2747 CB LYS B 31 18.954 -6.995 1.668 1.00 0.29 C ATOM 2748 CG LYS B 31 18.998 -7.042 3.185 1.00 0.40 C ATOM 2749 CD LYS B 31 20.411 -6.825 3.710 1.00 0.49 C ATOM 2750 CE LYS B 31 21.387 -7.853 3.154 1.00 1.20 C ATOM 2751 NZ LYS B 31 21.043 -9.241 3.562 1.00 1.72 N ATOM 0 H LYS B 31 17.485 -8.850 2.388 1.00 0.27 H new ATOM 0 HA LYS B 31 16.895 -6.404 1.359 1.00 0.26 H new ATOM 0 HB2 LYS B 31 19.631 -7.752 1.272 1.00 0.29 H new ATOM 0 HB3 LYS B 31 19.328 -6.027 1.334 1.00 0.29 H new ATOM 0 HG2 LYS B 31 18.336 -6.278 3.593 1.00 0.40 H new ATOM 0 HG3 LYS B 31 18.624 -8.006 3.531 1.00 0.40 H new ATOM 0 HD2 LYS B 31 20.748 -5.823 3.443 1.00 0.49 H new ATOM 0 HD3 LYS B 31 20.406 -6.880 4.799 1.00 0.49 H new ATOM 0 HE2 LYS B 31 21.397 -7.789 2.066 1.00 1.20 H new ATOM 0 HE3 LYS B 31 22.394 -7.616 3.496 1.00 1.20 H new ATOM 0 HZ1 LYS B 31 21.782 -9.893 3.231 1.00 1.72 H new ATOM 0 HZ2 LYS B 31 20.976 -9.292 4.599 1.00 1.72 H new ATOM 0 HZ3 LYS B 31 20.130 -9.510 3.143 1.00 1.72 H new ATOM 2765 N SER B 32 18.283 -8.306 -0.975 1.00 0.25 N ATOM 2766 CA SER B 32 18.589 -8.384 -2.397 1.00 0.27 C ATOM 2767 C SER B 32 17.319 -8.510 -3.243 1.00 0.24 C ATOM 2768 O SER B 32 17.253 -7.980 -4.356 1.00 0.27 O ATOM 2769 CB SER B 32 19.524 -9.566 -2.661 1.00 0.35 C ATOM 2770 OG SER B 32 19.969 -9.581 -4.008 1.00 1.27 O ATOM 0 H SER B 32 18.574 -9.121 -0.435 1.00 0.25 H new ATOM 0 HA SER B 32 19.084 -7.458 -2.687 1.00 0.27 H new ATOM 0 HB2 SER B 32 20.383 -9.509 -1.993 1.00 0.35 H new ATOM 0 HB3 SER B 32 19.007 -10.499 -2.436 1.00 0.35 H new ATOM 0 HG SER B 32 20.566 -10.346 -4.147 1.00 1.27 H new ATOM 2776 N GLU B 33 16.308 -9.186 -2.713 1.00 0.25 N ATOM 2777 CA GLU B 33 15.081 -9.422 -3.465 1.00 0.27 C ATOM 2778 C GLU B 33 14.299 -8.130 -3.594 1.00 0.24 C ATOM 2779 O GLU B 33 13.833 -7.774 -4.679 1.00 0.26 O ATOM 2780 CB GLU B 33 14.222 -10.483 -2.781 1.00 0.34 C ATOM 2781 CG GLU B 33 14.984 -11.748 -2.433 1.00 0.47 C ATOM 2782 CD GLU B 33 15.607 -12.428 -3.636 1.00 0.83 C ATOM 2783 OE1 GLU B 33 16.625 -11.922 -4.158 1.00 1.43 O ATOM 2784 OE2 GLU B 33 15.102 -13.487 -4.045 1.00 1.65 O ATOM 0 H GLU B 33 16.312 -9.579 -1.772 1.00 0.25 H new ATOM 0 HA GLU B 33 15.349 -9.783 -4.458 1.00 0.27 H new ATOM 0 HB2 GLU B 33 13.797 -10.062 -1.870 1.00 0.34 H new ATOM 0 HB3 GLU B 33 13.387 -10.739 -3.434 1.00 0.34 H new ATOM 0 HG2 GLU B 33 15.768 -11.505 -1.716 1.00 0.47 H new ATOM 0 HG3 GLU B 33 14.308 -12.446 -1.940 1.00 0.47 H new ATOM 2791 N LEU B 34 14.173 -7.422 -2.478 1.00 0.21 N ATOM 2792 CA LEU B 34 13.520 -6.129 -2.471 1.00 0.21 C ATOM 2793 C LEU B 34 14.260 -5.154 -3.371 1.00 0.20 C ATOM 2794 O LEU B 34 13.640 -4.410 -4.125 1.00 0.24 O ATOM 2795 CB LEU B 34 13.449 -5.574 -1.051 1.00 0.21 C ATOM 2796 CG LEU B 34 12.218 -5.989 -0.250 1.00 0.21 C ATOM 2797 CD1 LEU B 34 12.392 -5.611 1.208 1.00 0.24 C ATOM 2798 CD2 LEU B 34 10.983 -5.320 -0.828 1.00 0.21 C ATOM 0 H LEU B 34 14.517 -7.727 -1.567 1.00 0.21 H new ATOM 0 HA LEU B 34 12.506 -6.257 -2.850 1.00 0.21 H new ATOM 0 HB2 LEU B 34 14.339 -5.893 -0.509 1.00 0.21 H new ATOM 0 HB3 LEU B 34 13.479 -4.486 -1.102 1.00 0.21 H new ATOM 0 HG LEU B 34 12.096 -7.070 -0.313 1.00 0.21 H new ATOM 0 HD11 LEU B 34 11.508 -5.912 1.770 1.00 0.24 H new ATOM 0 HD12 LEU B 34 13.269 -6.117 1.613 1.00 0.24 H new ATOM 0 HD13 LEU B 34 12.525 -4.532 1.291 1.00 0.24 H new ATOM 0 HD21 LEU B 34 10.106 -5.618 -0.254 1.00 0.21 H new ATOM 0 HD22 LEU B 34 11.099 -4.237 -0.778 1.00 0.21 H new ATOM 0 HD23 LEU B 34 10.857 -5.624 -1.867 1.00 0.21 H new ATOM 2810 N LYS B 35 15.586 -5.178 -3.304 1.00 0.21 N ATOM 2811 CA LYS B 35 16.402 -4.281 -4.105 1.00 0.26 C ATOM 2812 C LYS B 35 16.071 -4.411 -5.575 1.00 0.22 C ATOM 2813 O LYS B 35 15.713 -3.429 -6.212 1.00 0.24 O ATOM 2814 CB LYS B 35 17.894 -4.533 -3.888 1.00 0.37 C ATOM 2815 CG LYS B 35 18.774 -3.565 -4.663 1.00 0.54 C ATOM 2816 CD LYS B 35 20.195 -3.537 -4.119 1.00 0.68 C ATOM 2817 CE LYS B 35 20.945 -4.819 -4.432 1.00 0.61 C ATOM 2818 NZ LYS B 35 22.236 -4.900 -3.701 1.00 0.95 N ATOM 0 H LYS B 35 16.116 -5.809 -2.703 1.00 0.21 H new ATOM 0 HA LYS B 35 16.173 -3.266 -3.779 1.00 0.26 H new ATOM 0 HB2 LYS B 35 18.121 -4.452 -2.825 1.00 0.37 H new ATOM 0 HB3 LYS B 35 18.133 -5.553 -4.188 1.00 0.37 H new ATOM 0 HG2 LYS B 35 18.792 -3.852 -5.714 1.00 0.54 H new ATOM 0 HG3 LYS B 35 18.346 -2.564 -4.613 1.00 0.54 H new ATOM 0 HD2 LYS B 35 20.731 -2.689 -4.546 1.00 0.68 H new ATOM 0 HD3 LYS B 35 20.168 -3.386 -3.040 1.00 0.68 H new ATOM 0 HE2 LYS B 35 20.325 -5.676 -4.169 1.00 0.61 H new ATOM 0 HE3 LYS B 35 21.131 -4.878 -5.504 1.00 0.61 H new ATOM 0 HZ1 LYS B 35 22.890 -5.520 -4.220 1.00 0.95 H new ATOM 0 HZ2 LYS B 35 22.650 -3.949 -3.621 1.00 0.95 H new ATOM 0 HZ3 LYS B 35 22.073 -5.288 -2.750 1.00 0.95 H new ATOM 2832 N GLU B 36 16.164 -5.621 -6.109 1.00 0.22 N ATOM 2833 CA GLU B 36 15.908 -5.828 -7.524 1.00 0.24 C ATOM 2834 C GLU B 36 14.487 -5.401 -7.871 1.00 0.25 C ATOM 2835 O GLU B 36 14.250 -4.774 -8.904 1.00 0.32 O ATOM 2836 CB GLU B 36 16.113 -7.282 -7.913 1.00 0.28 C ATOM 2837 CG GLU B 36 16.374 -7.450 -9.397 1.00 0.65 C ATOM 2838 CD GLU B 36 16.506 -8.897 -9.822 1.00 0.77 C ATOM 2839 OE1 GLU B 36 17.618 -9.455 -9.711 1.00 1.30 O ATOM 2840 OE2 GLU B 36 15.511 -9.474 -10.303 1.00 1.48 O ATOM 0 H GLU B 36 16.412 -6.463 -5.590 1.00 0.22 H new ATOM 0 HA GLU B 36 16.617 -5.218 -8.083 1.00 0.24 H new ATOM 0 HB2 GLU B 36 16.952 -7.691 -7.350 1.00 0.28 H new ATOM 0 HB3 GLU B 36 15.231 -7.858 -7.634 1.00 0.28 H new ATOM 0 HG2 GLU B 36 15.561 -6.987 -9.956 1.00 0.65 H new ATOM 0 HG3 GLU B 36 17.287 -6.916 -9.661 1.00 0.65 H new ATOM 2847 N LEU B 37 13.555 -5.729 -6.986 1.00 0.23 N ATOM 2848 CA LEU B 37 12.164 -5.315 -7.127 1.00 0.26 C ATOM 2849 C LEU B 37 12.085 -3.801 -7.308 1.00 0.22 C ATOM 2850 O LEU B 37 11.471 -3.299 -8.253 1.00 0.22 O ATOM 2851 CB LEU B 37 11.385 -5.743 -5.881 1.00 0.32 C ATOM 2852 CG LEU B 37 9.861 -5.650 -5.964 1.00 0.41 C ATOM 2853 CD1 LEU B 37 9.226 -6.796 -5.193 1.00 0.34 C ATOM 2854 CD2 LEU B 37 9.374 -4.325 -5.402 1.00 0.74 C ATOM 0 H LEU B 37 13.740 -6.287 -6.153 1.00 0.23 H new ATOM 0 HA LEU B 37 11.728 -5.790 -8.006 1.00 0.26 H new ATOM 0 HB2 LEU B 37 11.652 -6.774 -5.649 1.00 0.32 H new ATOM 0 HB3 LEU B 37 11.719 -5.131 -5.043 1.00 0.32 H new ATOM 0 HG LEU B 37 9.570 -5.715 -7.012 1.00 0.41 H new ATOM 0 HD11 LEU B 37 8.141 -6.721 -5.258 1.00 0.34 H new ATOM 0 HD12 LEU B 37 9.550 -7.745 -5.619 1.00 0.34 H new ATOM 0 HD13 LEU B 37 9.531 -6.745 -4.148 1.00 0.34 H new ATOM 0 HD21 LEU B 37 8.287 -4.278 -5.470 1.00 0.74 H new ATOM 0 HD22 LEU B 37 9.676 -4.239 -4.358 1.00 0.74 H new ATOM 0 HD23 LEU B 37 9.809 -3.505 -5.974 1.00 0.74 H new ATOM 2866 N LEU B 38 12.741 -3.082 -6.404 1.00 0.19 N ATOM 2867 CA LEU B 38 12.756 -1.631 -6.442 1.00 0.19 C ATOM 2868 C LEU B 38 13.567 -1.105 -7.628 1.00 0.19 C ATOM 2869 O LEU B 38 13.199 -0.109 -8.229 1.00 0.21 O ATOM 2870 CB LEU B 38 13.290 -1.060 -5.120 1.00 0.19 C ATOM 2871 CG LEU B 38 12.271 -0.989 -3.974 1.00 0.19 C ATOM 2872 CD1 LEU B 38 12.693 -1.879 -2.818 1.00 0.20 C ATOM 2873 CD2 LEU B 38 12.105 0.445 -3.496 1.00 0.20 C ATOM 0 H LEU B 38 13.271 -3.487 -5.633 1.00 0.19 H new ATOM 0 HA LEU B 38 11.728 -1.294 -6.575 1.00 0.19 H new ATOM 0 HB2 LEU B 38 14.134 -1.669 -4.796 1.00 0.19 H new ATOM 0 HB3 LEU B 38 13.673 -0.057 -5.306 1.00 0.19 H new ATOM 0 HG LEU B 38 11.313 -1.346 -4.352 1.00 0.19 H new ATOM 0 HD11 LEU B 38 11.955 -1.811 -2.019 1.00 0.20 H new ATOM 0 HD12 LEU B 38 12.763 -2.911 -3.161 1.00 0.20 H new ATOM 0 HD13 LEU B 38 13.664 -1.554 -2.444 1.00 0.20 H new ATOM 0 HD21 LEU B 38 11.379 0.476 -2.684 1.00 0.20 H new ATOM 0 HD22 LEU B 38 13.064 0.823 -3.141 1.00 0.20 H new ATOM 0 HD23 LEU B 38 11.753 1.065 -4.321 1.00 0.20 H new ATOM 2885 N THR B 39 14.653 -1.777 -7.990 1.00 0.20 N ATOM 2886 CA THR B 39 15.482 -1.311 -9.103 1.00 0.22 C ATOM 2887 C THR B 39 14.730 -1.395 -10.428 1.00 0.23 C ATOM 2888 O THR B 39 14.994 -0.626 -11.352 1.00 0.27 O ATOM 2889 CB THR B 39 16.804 -2.102 -9.233 1.00 0.25 C ATOM 2890 OG1 THR B 39 16.539 -3.482 -9.512 1.00 0.30 O ATOM 2891 CG2 THR B 39 17.636 -1.992 -7.970 1.00 0.27 C ATOM 0 H THR B 39 14.979 -2.632 -7.540 1.00 0.20 H new ATOM 0 HA THR B 39 15.722 -0.272 -8.877 1.00 0.22 H new ATOM 0 HB THR B 39 17.366 -1.668 -10.060 1.00 0.25 H new ATOM 0 HG1 THR B 39 15.597 -3.678 -9.327 1.00 0.30 H new ATOM 0 HG21 THR B 39 18.559 -2.559 -8.092 1.00 0.27 H new ATOM 0 HG22 THR B 39 17.875 -0.945 -7.782 1.00 0.27 H new ATOM 0 HG23 THR B 39 17.073 -2.393 -7.127 1.00 0.27 H new ATOM 2899 N ARG B 40 13.796 -2.327 -10.521 1.00 0.24 N ATOM 2900 CA ARG B 40 13.068 -2.535 -11.758 1.00 0.27 C ATOM 2901 C ARG B 40 11.824 -1.660 -11.820 1.00 0.27 C ATOM 2902 O ARG B 40 11.681 -0.835 -12.723 1.00 0.30 O ATOM 2903 CB ARG B 40 12.677 -4.005 -11.913 1.00 0.31 C ATOM 2904 CG ARG B 40 13.861 -4.958 -11.981 1.00 0.34 C ATOM 2905 CD ARG B 40 14.865 -4.542 -13.040 1.00 0.44 C ATOM 2906 NE ARG B 40 14.254 -4.376 -14.356 1.00 0.64 N ATOM 2907 CZ ARG B 40 14.581 -3.406 -15.206 1.00 0.87 C ATOM 2908 NH1 ARG B 40 15.524 -2.525 -14.883 1.00 1.22 N ATOM 2909 NH2 ARG B 40 13.971 -3.327 -16.380 1.00 1.06 N ATOM 0 H ARG B 40 13.526 -2.948 -9.758 1.00 0.24 H new ATOM 0 HA ARG B 40 13.728 -2.254 -12.579 1.00 0.27 H new ATOM 0 HB2 ARG B 40 12.041 -4.291 -11.075 1.00 0.31 H new ATOM 0 HB3 ARG B 40 12.081 -4.118 -12.818 1.00 0.31 H new ATOM 0 HG2 ARG B 40 14.353 -4.995 -11.009 1.00 0.34 H new ATOM 0 HG3 ARG B 40 13.504 -5.965 -12.196 1.00 0.34 H new ATOM 0 HD2 ARG B 40 15.336 -3.606 -12.741 1.00 0.44 H new ATOM 0 HD3 ARG B 40 15.655 -5.291 -13.102 1.00 0.44 H new ATOM 0 HE ARG B 40 13.535 -5.042 -14.640 1.00 0.64 H new ATOM 0 HH11 ARG B 40 15.998 -2.592 -13.982 1.00 1.22 H new ATOM 0 HH12 ARG B 40 15.773 -1.782 -15.536 1.00 1.22 H new ATOM 0 HH21 ARG B 40 13.254 -4.008 -16.629 1.00 1.06 H new ATOM 0 HH22 ARG B 40 14.219 -2.585 -17.035 1.00 1.06 H new ATOM 2923 N GLU B 41 10.929 -1.826 -10.854 1.00 0.27 N ATOM 2924 CA GLU B 41 9.650 -1.133 -10.892 1.00 0.30 C ATOM 2925 C GLU B 41 9.670 0.192 -10.131 1.00 0.34 C ATOM 2926 O GLU B 41 8.892 1.091 -10.445 1.00 0.46 O ATOM 2927 CB GLU B 41 8.522 -2.022 -10.362 1.00 0.36 C ATOM 2928 CG GLU B 41 7.734 -2.726 -11.459 1.00 0.45 C ATOM 2929 CD GLU B 41 8.473 -3.900 -12.076 1.00 0.83 C ATOM 2930 OE1 GLU B 41 8.327 -5.031 -11.568 1.00 1.59 O ATOM 2931 OE2 GLU B 41 9.174 -3.702 -13.089 1.00 1.54 O ATOM 0 H GLU B 41 11.064 -2.429 -10.042 1.00 0.27 H new ATOM 0 HA GLU B 41 9.463 -0.904 -11.941 1.00 0.30 H new ATOM 0 HB2 GLU B 41 8.945 -2.771 -9.692 1.00 0.36 H new ATOM 0 HB3 GLU B 41 7.839 -1.413 -9.769 1.00 0.36 H new ATOM 0 HG2 GLU B 41 6.788 -3.078 -11.047 1.00 0.45 H new ATOM 0 HG3 GLU B 41 7.493 -2.006 -12.242 1.00 0.45 H new ATOM 2938 N LEU B 42 10.557 0.345 -9.152 1.00 0.27 N ATOM 2939 CA LEU B 42 10.562 1.572 -8.345 1.00 0.28 C ATOM 2940 C LEU B 42 11.886 2.352 -8.424 1.00 0.27 C ATOM 2941 O LEU B 42 12.366 2.825 -7.398 1.00 0.26 O ATOM 2942 CB LEU B 42 10.285 1.247 -6.871 1.00 0.27 C ATOM 2943 CG LEU B 42 9.042 0.406 -6.590 1.00 0.27 C ATOM 2944 CD1 LEU B 42 9.367 -1.071 -6.702 1.00 0.26 C ATOM 2945 CD2 LEU B 42 8.495 0.729 -5.212 1.00 0.32 C ATOM 0 H LEU B 42 11.266 -0.343 -8.898 1.00 0.27 H new ATOM 0 HA LEU B 42 9.775 2.200 -8.763 1.00 0.28 H new ATOM 0 HB2 LEU B 42 11.152 0.724 -6.466 1.00 0.27 H new ATOM 0 HB3 LEU B 42 10.195 2.185 -6.324 1.00 0.27 H new ATOM 0 HG LEU B 42 8.280 0.646 -7.332 1.00 0.27 H new ATOM 0 HD11 LEU B 42 8.471 -1.657 -6.499 1.00 0.26 H new ATOM 0 HD12 LEU B 42 9.723 -1.290 -7.709 1.00 0.26 H new ATOM 0 HD13 LEU B 42 10.141 -1.329 -5.979 1.00 0.26 H new ATOM 0 HD21 LEU B 42 7.609 0.124 -5.021 1.00 0.32 H new ATOM 0 HD22 LEU B 42 9.252 0.510 -4.459 1.00 0.32 H new ATOM 0 HD23 LEU B 42 8.230 1.785 -5.164 1.00 0.32 H new ATOM 2957 N PRO B 43 12.482 2.553 -9.619 1.00 0.31 N ATOM 2958 CA PRO B 43 13.786 3.214 -9.726 1.00 0.33 C ATOM 2959 C PRO B 43 13.723 4.668 -9.274 1.00 0.33 C ATOM 2960 O PRO B 43 14.667 5.196 -8.685 1.00 0.36 O ATOM 2961 CB PRO B 43 14.126 3.136 -11.217 1.00 0.41 C ATOM 2962 CG PRO B 43 13.187 2.128 -11.788 1.00 0.51 C ATOM 2963 CD PRO B 43 11.952 2.191 -10.938 1.00 0.35 C ATOM 0 HA PRO B 43 14.532 2.738 -9.090 1.00 0.33 H new ATOM 0 HB2 PRO B 43 14.001 4.106 -11.699 1.00 0.41 H new ATOM 0 HB3 PRO B 43 15.163 2.836 -11.368 1.00 0.41 H new ATOM 0 HG2 PRO B 43 12.957 2.354 -12.829 1.00 0.51 H new ATOM 0 HG3 PRO B 43 13.625 1.130 -11.768 1.00 0.51 H new ATOM 0 HD2 PRO B 43 11.245 2.934 -11.307 1.00 0.35 H new ATOM 0 HD3 PRO B 43 11.428 1.235 -10.915 1.00 0.35 H new ATOM 2971 N SER B 44 12.594 5.310 -9.550 1.00 0.36 N ATOM 2972 CA SER B 44 12.369 6.685 -9.137 1.00 0.39 C ATOM 2973 C SER B 44 12.223 6.764 -7.622 1.00 0.35 C ATOM 2974 O SER B 44 12.715 7.697 -6.988 1.00 0.40 O ATOM 2975 CB SER B 44 11.103 7.226 -9.801 1.00 0.46 C ATOM 2976 OG SER B 44 11.117 6.996 -11.200 1.00 1.09 O ATOM 0 H SER B 44 11.816 4.894 -10.062 1.00 0.36 H new ATOM 0 HA SER B 44 13.225 7.286 -9.443 1.00 0.39 H new ATOM 0 HB2 SER B 44 10.227 6.750 -9.361 1.00 0.46 H new ATOM 0 HB3 SER B 44 11.016 8.295 -9.607 1.00 0.46 H new ATOM 0 HG SER B 44 10.295 7.351 -11.598 1.00 1.09 H new ATOM 2982 N PHE B 45 11.566 5.755 -7.054 1.00 0.30 N ATOM 2983 CA PHE B 45 11.285 5.695 -5.623 1.00 0.28 C ATOM 2984 C PHE B 45 12.523 5.350 -4.819 1.00 0.28 C ATOM 2985 O PHE B 45 12.416 4.944 -3.674 1.00 0.27 O ATOM 2986 CB PHE B 45 10.212 4.646 -5.332 1.00 0.31 C ATOM 2987 CG PHE B 45 8.896 4.900 -6.001 1.00 0.28 C ATOM 2988 CD1 PHE B 45 7.943 5.686 -5.388 1.00 1.28 C ATOM 2989 CD2 PHE B 45 8.605 4.331 -7.229 1.00 1.17 C ATOM 2990 CE1 PHE B 45 6.720 5.901 -5.982 1.00 1.34 C ATOM 2991 CE2 PHE B 45 7.385 4.545 -7.834 1.00 1.18 C ATOM 2992 CZ PHE B 45 6.439 5.331 -7.210 1.00 0.47 C ATOM 0 H PHE B 45 11.213 4.953 -7.576 1.00 0.30 H new ATOM 0 HA PHE B 45 10.937 6.685 -5.328 1.00 0.28 H new ATOM 0 HB2 PHE B 45 10.582 3.670 -5.646 1.00 0.31 H new ATOM 0 HB3 PHE B 45 10.054 4.596 -4.255 1.00 0.31 H new ATOM 0 HD1 PHE B 45 8.159 6.138 -4.431 1.00 1.28 H new ATOM 0 HD2 PHE B 45 9.342 3.712 -7.719 1.00 1.17 H new ATOM 0 HE1 PHE B 45 5.980 6.515 -5.489 1.00 1.34 H new ATOM 0 HE2 PHE B 45 7.171 4.099 -8.794 1.00 1.18 H new ATOM 0 HZ PHE B 45 5.481 5.501 -7.679 1.00 0.47 H new ATOM 3002 N LEU B 46 13.690 5.500 -5.402 1.00 0.32 N ATOM 3003 CA LEU B 46 14.909 5.317 -4.643 1.00 0.33 C ATOM 3004 C LEU B 46 15.486 6.677 -4.275 1.00 0.39 C ATOM 3005 O LEU B 46 16.280 6.798 -3.346 1.00 0.47 O ATOM 3006 CB LEU B 46 15.930 4.479 -5.423 1.00 0.35 C ATOM 3007 CG LEU B 46 15.405 3.140 -5.962 1.00 0.32 C ATOM 3008 CD1 LEU B 46 16.555 2.218 -6.328 1.00 0.41 C ATOM 3009 CD2 LEU B 46 14.461 2.475 -4.964 1.00 0.30 C ATOM 0 H LEU B 46 13.823 5.744 -6.383 1.00 0.32 H new ATOM 0 HA LEU B 46 14.675 4.770 -3.729 1.00 0.33 H new ATOM 0 HB2 LEU B 46 16.296 5.071 -6.262 1.00 0.35 H new ATOM 0 HB3 LEU B 46 16.784 4.281 -4.775 1.00 0.35 H new ATOM 0 HG LEU B 46 14.835 3.343 -6.868 1.00 0.32 H new ATOM 0 HD11 LEU B 46 16.159 1.276 -6.707 1.00 0.41 H new ATOM 0 HD12 LEU B 46 17.169 2.689 -7.096 1.00 0.41 H new ATOM 0 HD13 LEU B 46 17.163 2.026 -5.444 1.00 0.41 H new ATOM 0 HD21 LEU B 46 14.106 1.529 -5.374 1.00 0.30 H new ATOM 0 HD22 LEU B 46 14.991 2.290 -4.030 1.00 0.30 H new ATOM 0 HD23 LEU B 46 13.611 3.131 -4.775 1.00 0.30 H new ATOM 3021 N GLY B 47 15.060 7.703 -5.008 1.00 0.41 N ATOM 3022 CA GLY B 47 15.545 9.063 -4.792 1.00 0.49 C ATOM 3023 C GLY B 47 16.995 9.246 -5.204 1.00 0.53 C ATOM 3024 O GLY B 47 17.389 10.315 -5.675 1.00 0.60 O ATOM 0 H GLY B 47 14.377 7.617 -5.760 1.00 0.41 H new ATOM 0 HA2 GLY B 47 14.922 9.759 -5.354 1.00 0.49 H new ATOM 0 HA3 GLY B 47 15.437 9.319 -3.738 1.00 0.49 H new ATOM 3028 N LYS B 48 17.780 8.202 -5.028 1.00 0.54 N ATOM 3029 CA LYS B 48 19.140 8.158 -5.531 1.00 0.67 C ATOM 3030 C LYS B 48 19.419 6.776 -6.118 1.00 0.70 C ATOM 3031 O LYS B 48 19.402 6.596 -7.336 1.00 1.18 O ATOM 3032 CB LYS B 48 20.134 8.476 -4.411 1.00 0.82 C ATOM 3033 CG LYS B 48 21.574 8.588 -4.881 1.00 1.41 C ATOM 3034 CD LYS B 48 22.537 8.573 -3.708 1.00 2.04 C ATOM 3035 CE LYS B 48 22.505 7.232 -2.995 1.00 2.61 C ATOM 3036 NZ LYS B 48 23.374 7.213 -1.792 1.00 3.21 N ATOM 0 H LYS B 48 17.493 7.358 -4.531 1.00 0.54 H new ATOM 0 HA LYS B 48 19.259 8.909 -6.312 1.00 0.67 H new ATOM 0 HB2 LYS B 48 19.843 9.413 -3.935 1.00 0.82 H new ATOM 0 HB3 LYS B 48 20.070 7.699 -3.650 1.00 0.82 H new ATOM 0 HG2 LYS B 48 21.805 7.763 -5.555 1.00 1.41 H new ATOM 0 HG3 LYS B 48 21.703 9.509 -5.449 1.00 1.41 H new ATOM 0 HD2 LYS B 48 23.548 8.778 -4.060 1.00 2.04 H new ATOM 0 HD3 LYS B 48 22.276 9.367 -3.009 1.00 2.04 H new ATOM 0 HE2 LYS B 48 21.480 7.002 -2.704 1.00 2.61 H new ATOM 0 HE3 LYS B 48 22.824 6.449 -3.683 1.00 2.61 H new ATOM 0 HZ1 LYS B 48 23.771 6.260 -1.665 1.00 3.21 H new ATOM 0 HZ2 LYS B 48 24.148 7.897 -1.912 1.00 3.21 H new ATOM 0 HZ3 LYS B 48 22.813 7.469 -0.954 1.00 3.21 H new ATOM 3050 N ARG B 49 19.621 5.799 -5.236 1.00 0.54 N ATOM 3051 CA ARG B 49 19.898 4.420 -5.633 1.00 0.54 C ATOM 3052 C ARG B 49 20.124 3.572 -4.387 1.00 0.51 C ATOM 3053 O ARG B 49 20.536 4.088 -3.348 1.00 0.55 O ATOM 3054 CB ARG B 49 21.125 4.337 -6.552 1.00 0.66 C ATOM 3055 CG ARG B 49 21.303 2.980 -7.223 1.00 0.74 C ATOM 3056 CD ARG B 49 20.075 2.601 -8.039 1.00 0.73 C ATOM 3057 NE ARG B 49 20.268 1.366 -8.797 1.00 1.28 N ATOM 3058 CZ ARG B 49 19.482 0.982 -9.804 1.00 1.46 C ATOM 3059 NH1 ARG B 49 18.432 1.714 -10.152 1.00 1.43 N ATOM 3060 NH2 ARG B 49 19.744 -0.140 -10.462 1.00 2.26 N ATOM 0 H ARG B 49 19.597 5.941 -4.226 1.00 0.54 H new ATOM 0 HA ARG B 49 19.039 4.043 -6.189 1.00 0.54 H new ATOM 0 HB2 ARG B 49 21.043 5.104 -7.322 1.00 0.66 H new ATOM 0 HB3 ARG B 49 22.018 4.564 -5.970 1.00 0.66 H new ATOM 0 HG2 ARG B 49 22.179 3.004 -7.871 1.00 0.74 H new ATOM 0 HG3 ARG B 49 21.488 2.219 -6.465 1.00 0.74 H new ATOM 0 HD2 ARG B 49 19.221 2.485 -7.372 1.00 0.73 H new ATOM 0 HD3 ARG B 49 19.835 3.412 -8.726 1.00 0.73 H new ATOM 0 HE ARG B 49 21.049 0.763 -8.541 1.00 1.28 H new ATOM 0 HH11 ARG B 49 18.222 2.576 -9.649 1.00 1.43 H new ATOM 0 HH12 ARG B 49 17.835 1.415 -10.923 1.00 1.43 H new ATOM 0 HH21 ARG B 49 20.547 -0.710 -10.198 1.00 2.26 H new ATOM 0 HH22 ARG B 49 19.142 -0.432 -11.232 1.00 2.26 H new ATOM 3074 N THR B 50 19.845 2.283 -4.496 1.00 0.51 N ATOM 3075 CA THR B 50 19.981 1.365 -3.383 1.00 0.51 C ATOM 3076 C THR B 50 21.438 0.961 -3.145 1.00 0.61 C ATOM 3077 O THR B 50 21.992 0.136 -3.874 1.00 0.82 O ATOM 3078 CB THR B 50 19.123 0.119 -3.628 1.00 0.57 C ATOM 3079 OG1 THR B 50 19.163 -0.228 -5.021 1.00 0.69 O ATOM 3080 CG2 THR B 50 17.682 0.362 -3.203 1.00 0.57 C ATOM 0 H THR B 50 19.519 1.847 -5.358 1.00 0.51 H new ATOM 0 HA THR B 50 19.635 1.880 -2.487 1.00 0.51 H new ATOM 0 HB THR B 50 19.526 -0.701 -3.033 1.00 0.57 H new ATOM 0 HG1 THR B 50 20.095 -0.275 -5.320 1.00 0.69 H new ATOM 0 HG21 THR B 50 17.092 -0.536 -3.386 1.00 0.57 H new ATOM 0 HG22 THR B 50 17.652 0.605 -2.141 1.00 0.57 H new ATOM 0 HG23 THR B 50 17.268 1.191 -3.777 1.00 0.57 H new ATOM 3088 N ASP B 51 22.054 1.561 -2.132 1.00 0.58 N ATOM 3089 CA ASP B 51 23.431 1.236 -1.764 1.00 0.72 C ATOM 3090 C ASP B 51 23.481 -0.021 -0.911 1.00 0.60 C ATOM 3091 O ASP B 51 22.484 -0.413 -0.305 1.00 0.58 O ATOM 3092 CB ASP B 51 24.087 2.384 -0.991 1.00 0.91 C ATOM 3093 CG ASP B 51 24.290 3.624 -1.828 1.00 1.35 C ATOM 3094 OD1 ASP B 51 25.177 3.614 -2.712 1.00 1.91 O ATOM 3095 OD2 ASP B 51 23.583 4.622 -1.596 1.00 1.98 O ATOM 0 H ASP B 51 21.622 2.277 -1.549 1.00 0.58 H new ATOM 0 HA ASP B 51 23.979 1.071 -2.692 1.00 0.72 H new ATOM 0 HB2 ASP B 51 23.469 2.633 -0.128 1.00 0.91 H new ATOM 0 HB3 ASP B 51 25.051 2.051 -0.607 1.00 0.91 H new ATOM 3100 N GLU B 52 24.659 -0.623 -0.836 1.00 0.68 N ATOM 3101 CA GLU B 52 24.844 -1.854 -0.084 1.00 0.66 C ATOM 3102 C GLU B 52 24.820 -1.569 1.417 1.00 0.55 C ATOM 3103 O GLU B 52 24.133 -2.249 2.182 1.00 0.50 O ATOM 3104 CB GLU B 52 26.165 -2.517 -0.479 1.00 0.83 C ATOM 3105 CG GLU B 52 26.353 -2.664 -1.985 1.00 1.57 C ATOM 3106 CD GLU B 52 25.294 -3.527 -2.650 1.00 2.22 C ATOM 3107 OE1 GLU B 52 24.167 -3.039 -2.876 1.00 2.89 O ATOM 3108 OE2 GLU B 52 25.592 -4.696 -2.977 1.00 2.79 O ATOM 0 H GLU B 52 25.504 -0.276 -1.289 1.00 0.68 H new ATOM 0 HA GLU B 52 24.026 -2.535 -0.319 1.00 0.66 H new ATOM 0 HB2 GLU B 52 26.990 -1.931 -0.075 1.00 0.83 H new ATOM 0 HB3 GLU B 52 26.218 -3.503 -0.018 1.00 0.83 H new ATOM 0 HG2 GLU B 52 26.343 -1.675 -2.442 1.00 1.57 H new ATOM 0 HG3 GLU B 52 27.335 -3.095 -2.180 1.00 1.57 H new ATOM 3115 N ALA B 53 25.554 -0.539 1.832 1.00 0.58 N ATOM 3116 CA ALA B 53 25.581 -0.131 3.236 1.00 0.58 C ATOM 3117 C ALA B 53 24.278 0.555 3.630 1.00 0.53 C ATOM 3118 O ALA B 53 24.021 0.800 4.806 1.00 0.58 O ATOM 3119 CB ALA B 53 26.756 0.794 3.511 1.00 0.70 C ATOM 0 H ALA B 53 26.138 0.028 1.217 1.00 0.58 H new ATOM 0 HA ALA B 53 25.697 -1.032 3.838 1.00 0.58 H new ATOM 0 HB1 ALA B 53 26.753 1.083 4.562 1.00 0.70 H new ATOM 0 HB2 ALA B 53 27.688 0.278 3.279 1.00 0.70 H new ATOM 0 HB3 ALA B 53 26.671 1.685 2.889 1.00 0.70 H new ATOM 3125 N ALA B 54 23.461 0.869 2.642 1.00 0.52 N ATOM 3126 CA ALA B 54 22.170 1.479 2.894 1.00 0.51 C ATOM 3127 C ALA B 54 21.103 0.418 3.059 1.00 0.39 C ATOM 3128 O ALA B 54 20.145 0.597 3.803 1.00 0.35 O ATOM 3129 CB ALA B 54 21.787 2.398 1.761 1.00 0.63 C ATOM 0 H ALA B 54 23.669 0.711 1.656 1.00 0.52 H new ATOM 0 HA ALA B 54 22.247 2.057 3.815 1.00 0.51 H new ATOM 0 HB1 ALA B 54 20.815 2.846 1.969 1.00 0.63 H new ATOM 0 HB2 ALA B 54 22.535 3.184 1.661 1.00 0.63 H new ATOM 0 HB3 ALA B 54 21.733 1.829 0.833 1.00 0.63 H new ATOM 3135 N PHE B 55 21.259 -0.682 2.346 1.00 0.38 N ATOM 3136 CA PHE B 55 20.267 -1.745 2.380 1.00 0.32 C ATOM 3137 C PHE B 55 20.287 -2.507 3.701 1.00 0.31 C ATOM 3138 O PHE B 55 19.277 -3.088 4.095 1.00 0.31 O ATOM 3139 CB PHE B 55 20.442 -2.705 1.213 1.00 0.41 C ATOM 3140 CG PHE B 55 19.144 -2.969 0.521 1.00 0.36 C ATOM 3141 CD1 PHE B 55 18.150 -3.705 1.145 1.00 1.23 C ATOM 3142 CD2 PHE B 55 18.903 -2.457 -0.739 1.00 1.25 C ATOM 3143 CE1 PHE B 55 16.941 -3.927 0.523 1.00 1.30 C ATOM 3144 CE2 PHE B 55 17.698 -2.680 -1.368 1.00 1.22 C ATOM 3145 CZ PHE B 55 16.715 -3.414 -0.738 1.00 0.46 C ATOM 0 H PHE B 55 22.058 -0.864 1.739 1.00 0.38 H new ATOM 0 HA PHE B 55 19.293 -1.264 2.289 1.00 0.32 H new ATOM 0 HB2 PHE B 55 21.156 -2.289 0.502 1.00 0.41 H new ATOM 0 HB3 PHE B 55 20.861 -3.645 1.573 1.00 0.41 H new ATOM 0 HD1 PHE B 55 18.325 -4.110 2.131 1.00 1.23 H new ATOM 0 HD2 PHE B 55 19.666 -1.876 -1.236 1.00 1.25 H new ATOM 0 HE1 PHE B 55 16.173 -4.500 1.020 1.00 1.30 H new ATOM 0 HE2 PHE B 55 17.523 -2.280 -2.356 1.00 1.22 H new ATOM 0 HZ PHE B 55 15.770 -3.587 -1.231 1.00 0.46 H new ATOM 3155 N GLN B 56 21.425 -2.501 4.387 1.00 0.35 N ATOM 3156 CA GLN B 56 21.486 -3.065 5.732 1.00 0.41 C ATOM 3157 C GLN B 56 20.604 -2.231 6.657 1.00 0.42 C ATOM 3158 O GLN B 56 20.084 -2.721 7.662 1.00 0.52 O ATOM 3159 CB GLN B 56 22.927 -3.112 6.247 1.00 0.51 C ATOM 3160 CG GLN B 56 23.601 -1.754 6.312 1.00 0.53 C ATOM 3161 CD GLN B 56 25.059 -1.830 6.716 1.00 0.69 C ATOM 3162 OE1 GLN B 56 25.715 -2.928 6.375 1.00 1.15 O flip ATOM 3163 NE2 GLN B 56 25.594 -0.905 7.328 1.00 1.53 N flip ATOM 0 H GLN B 56 22.305 -2.118 4.042 1.00 0.35 H new ATOM 0 HA GLN B 56 21.120 -4.091 5.708 1.00 0.41 H new ATOM 0 HB2 GLN B 56 22.933 -3.558 7.242 1.00 0.51 H new ATOM 0 HB3 GLN B 56 23.512 -3.767 5.601 1.00 0.51 H new ATOM 0 HG2 GLN B 56 23.525 -1.271 5.338 1.00 0.53 H new ATOM 0 HG3 GLN B 56 23.066 -1.124 7.023 1.00 0.53 H new ATOM 0 HE21 GLN B 56 25.054 -0.075 7.572 1.00 1.53 H new ATOM 0 HE22 GLN B 56 26.578 -0.969 7.591 1.00 1.53 H new ATOM 3172 N LYS B 57 20.437 -0.966 6.287 1.00 0.36 N ATOM 3173 CA LYS B 57 19.497 -0.082 6.949 1.00 0.39 C ATOM 3174 C LYS B 57 18.096 -0.338 6.416 1.00 0.34 C ATOM 3175 O LYS B 57 17.166 -0.536 7.184 1.00 0.41 O ATOM 3176 CB LYS B 57 19.865 1.386 6.706 1.00 0.44 C ATOM 3177 CG LYS B 57 21.179 1.817 7.333 1.00 0.54 C ATOM 3178 CD LYS B 57 21.518 3.253 6.959 1.00 0.61 C ATOM 3179 CE LYS B 57 22.705 3.772 7.754 1.00 0.79 C ATOM 3180 NZ LYS B 57 22.422 3.802 9.214 1.00 1.27 N ATOM 0 H LYS B 57 20.950 -0.530 5.521 1.00 0.36 H new ATOM 0 HA LYS B 57 19.534 -0.281 8.020 1.00 0.39 H new ATOM 0 HB2 LYS B 57 19.915 1.562 5.631 1.00 0.44 H new ATOM 0 HB3 LYS B 57 19.066 2.017 7.096 1.00 0.44 H new ATOM 0 HG2 LYS B 57 21.116 1.725 8.417 1.00 0.54 H new ATOM 0 HG3 LYS B 57 21.978 1.153 7.003 1.00 0.54 H new ATOM 0 HD2 LYS B 57 21.740 3.309 5.893 1.00 0.61 H new ATOM 0 HD3 LYS B 57 20.652 3.891 7.138 1.00 0.61 H new ATOM 0 HE2 LYS B 57 23.573 3.140 7.565 1.00 0.79 H new ATOM 0 HE3 LYS B 57 22.960 4.775 7.413 1.00 0.79 H new ATOM 0 HZ1 LYS B 57 23.084 4.453 9.683 1.00 1.27 H new ATOM 0 HZ2 LYS B 57 21.447 4.127 9.372 1.00 1.27 H new ATOM 0 HZ3 LYS B 57 22.537 2.847 9.610 1.00 1.27 H new ATOM 3194 N LEU B 58 17.975 -0.350 5.086 1.00 0.27 N ATOM 3195 CA LEU B 58 16.687 -0.476 4.401 1.00 0.25 C ATOM 3196 C LEU B 58 15.910 -1.708 4.844 1.00 0.24 C ATOM 3197 O LEU B 58 14.775 -1.591 5.302 1.00 0.26 O ATOM 3198 CB LEU B 58 16.891 -0.506 2.881 1.00 0.22 C ATOM 3199 CG LEU B 58 15.611 -0.679 2.059 1.00 0.22 C ATOM 3200 CD1 LEU B 58 14.616 0.400 2.391 1.00 0.26 C ATOM 3201 CD2 LEU B 58 15.901 -0.637 0.575 1.00 0.23 C ATOM 0 H LEU B 58 18.771 -0.272 4.452 1.00 0.27 H new ATOM 0 HA LEU B 58 16.096 0.398 4.674 1.00 0.25 H new ATOM 0 HB2 LEU B 58 17.378 0.421 2.577 1.00 0.22 H new ATOM 0 HB3 LEU B 58 17.574 -1.320 2.637 1.00 0.22 H new ATOM 0 HG LEU B 58 15.194 -1.654 2.313 1.00 0.22 H new ATOM 0 HD11 LEU B 58 13.714 0.259 1.796 1.00 0.26 H new ATOM 0 HD12 LEU B 58 14.364 0.349 3.450 1.00 0.26 H new ATOM 0 HD13 LEU B 58 15.049 1.375 2.168 1.00 0.26 H new ATOM 0 HD21 LEU B 58 14.972 -0.763 0.019 1.00 0.23 H new ATOM 0 HD22 LEU B 58 16.350 0.323 0.319 1.00 0.23 H new ATOM 0 HD23 LEU B 58 16.590 -1.441 0.316 1.00 0.23 H new ATOM 3213 N MET B 59 16.511 -2.879 4.693 1.00 0.24 N ATOM 3214 CA MET B 59 15.871 -4.129 5.097 1.00 0.27 C ATOM 3215 C MET B 59 15.325 -4.042 6.517 1.00 0.34 C ATOM 3216 O MET B 59 14.130 -4.209 6.737 1.00 0.41 O ATOM 3217 CB MET B 59 16.850 -5.298 4.982 1.00 0.28 C ATOM 3218 CG MET B 59 16.407 -6.555 5.723 1.00 0.30 C ATOM 3219 SD MET B 59 14.678 -6.972 5.442 1.00 0.31 S ATOM 3220 CE MET B 59 14.676 -7.254 3.682 1.00 0.25 C ATOM 0 H MET B 59 17.442 -2.993 4.293 1.00 0.24 H new ATOM 0 HA MET B 59 15.033 -4.301 4.422 1.00 0.27 H new ATOM 0 HB2 MET B 59 16.988 -5.540 3.928 1.00 0.28 H new ATOM 0 HB3 MET B 59 17.820 -4.985 5.367 1.00 0.28 H new ATOM 0 HG2 MET B 59 17.031 -7.392 5.411 1.00 0.30 H new ATOM 0 HG3 MET B 59 16.571 -6.416 6.792 1.00 0.30 H new ATOM 0 HE1 MET B 59 13.683 -7.574 3.366 1.00 0.25 H new ATOM 0 HE2 MET B 59 14.942 -6.332 3.165 1.00 0.25 H new ATOM 0 HE3 MET B 59 15.402 -8.029 3.437 1.00 0.25 H new ATOM 3230 N SER B 60 16.194 -3.742 7.465 1.00 0.39 N ATOM 3231 CA SER B 60 15.804 -3.710 8.863 1.00 0.51 C ATOM 3232 C SER B 60 14.985 -2.454 9.173 1.00 0.44 C ATOM 3233 O SER B 60 14.498 -2.278 10.290 1.00 0.51 O ATOM 3234 CB SER B 60 17.050 -3.791 9.746 1.00 0.70 C ATOM 3235 OG SER B 60 16.712 -3.869 11.125 1.00 1.36 O ATOM 0 H SER B 60 17.174 -3.517 7.293 1.00 0.39 H new ATOM 0 HA SER B 60 15.170 -4.571 9.075 1.00 0.51 H new ATOM 0 HB2 SER B 60 17.639 -4.664 9.466 1.00 0.70 H new ATOM 0 HB3 SER B 60 17.676 -2.916 9.574 1.00 0.70 H new ATOM 0 HG SER B 60 15.843 -3.441 11.273 1.00 1.36 H new ATOM 3241 N ASN B 61 14.824 -1.592 8.176 1.00 0.37 N ATOM 3242 CA ASN B 61 14.020 -0.396 8.336 1.00 0.42 C ATOM 3243 C ASN B 61 12.581 -0.745 8.016 1.00 0.44 C ATOM 3244 O ASN B 61 11.648 -0.144 8.546 1.00 0.64 O ATOM 3245 CB ASN B 61 14.512 0.734 7.439 1.00 0.46 C ATOM 3246 CG ASN B 61 14.319 2.089 8.084 1.00 0.47 C ATOM 3247 OD1 ASN B 61 13.456 2.264 8.939 1.00 0.96 O ATOM 3248 ND2 ASN B 61 15.114 3.061 7.673 1.00 0.92 N ATOM 0 H ASN B 61 15.240 -1.702 7.251 1.00 0.37 H new ATOM 0 HA ASN B 61 14.102 -0.042 9.363 1.00 0.42 H new ATOM 0 HB2 ASN B 61 15.568 0.586 7.214 1.00 0.46 H new ATOM 0 HB3 ASN B 61 13.977 0.704 6.490 1.00 0.46 H new ATOM 0 HD21 ASN B 61 15.022 3.997 8.069 1.00 0.92 H new ATOM 0 HD22 ASN B 61 15.820 2.876 6.960 1.00 0.92 H new ATOM 3255 N LEU B 62 12.412 -1.739 7.153 1.00 0.33 N ATOM 3256 CA LEU B 62 11.112 -2.339 6.954 1.00 0.39 C ATOM 3257 C LEU B 62 10.912 -3.403 8.014 1.00 0.54 C ATOM 3258 O LEU B 62 10.184 -3.201 8.983 1.00 1.18 O ATOM 3259 CB LEU B 62 10.996 -2.980 5.566 1.00 0.35 C ATOM 3260 CG LEU B 62 10.686 -2.035 4.405 1.00 0.25 C ATOM 3261 CD1 LEU B 62 9.444 -1.214 4.705 1.00 0.24 C ATOM 3262 CD2 LEU B 62 11.866 -1.135 4.088 1.00 0.22 C ATOM 0 H LEU B 62 13.158 -2.140 6.586 1.00 0.33 H new ATOM 0 HA LEU B 62 10.351 -1.563 7.029 1.00 0.39 H new ATOM 0 HB2 LEU B 62 11.932 -3.494 5.348 1.00 0.35 H new ATOM 0 HB3 LEU B 62 10.216 -3.741 5.605 1.00 0.35 H new ATOM 0 HG LEU B 62 10.494 -2.644 3.521 1.00 0.25 H new ATOM 0 HD11 LEU B 62 9.238 -0.547 3.868 1.00 0.24 H new ATOM 0 HD12 LEU B 62 8.595 -1.881 4.855 1.00 0.24 H new ATOM 0 HD13 LEU B 62 9.607 -0.625 5.607 1.00 0.24 H new ATOM 0 HD21 LEU B 62 11.609 -0.477 3.258 1.00 0.22 H new ATOM 0 HD22 LEU B 62 12.111 -0.535 4.964 1.00 0.22 H new ATOM 0 HD23 LEU B 62 12.726 -1.746 3.814 1.00 0.22 H new ATOM 3274 N ASP B 63 11.652 -4.494 7.854 1.00 0.31 N ATOM 3275 CA ASP B 63 11.543 -5.659 8.719 1.00 0.33 C ATOM 3276 C ASP B 63 11.794 -5.299 10.178 1.00 0.37 C ATOM 3277 O ASP B 63 12.923 -5.017 10.590 1.00 0.43 O ATOM 3278 CB ASP B 63 12.519 -6.742 8.258 1.00 0.40 C ATOM 3279 CG ASP B 63 12.714 -7.835 9.287 1.00 0.38 C ATOM 3280 OD1 ASP B 63 11.721 -8.257 9.915 1.00 1.08 O ATOM 3281 OD2 ASP B 63 13.872 -8.255 9.485 1.00 1.15 O ATOM 0 H ASP B 63 12.348 -4.594 7.115 1.00 0.31 H new ATOM 0 HA ASP B 63 10.524 -6.040 8.647 1.00 0.33 H new ATOM 0 HB2 ASP B 63 12.153 -7.184 7.331 1.00 0.40 H new ATOM 0 HB3 ASP B 63 13.483 -6.284 8.034 1.00 0.40 H new ATOM 3286 N SER B 64 10.720 -5.299 10.946 1.00 0.43 N ATOM 3287 CA SER B 64 10.782 -4.973 12.357 1.00 0.52 C ATOM 3288 C SER B 64 10.995 -6.232 13.200 1.00 0.58 C ATOM 3289 O SER B 64 10.949 -6.178 14.430 1.00 0.71 O ATOM 3290 CB SER B 64 9.489 -4.267 12.769 1.00 0.67 C ATOM 3291 OG SER B 64 9.231 -3.147 11.935 1.00 1.14 O ATOM 0 H SER B 64 9.784 -5.524 10.610 1.00 0.43 H new ATOM 0 HA SER B 64 11.629 -4.310 12.530 1.00 0.52 H new ATOM 0 HB2 SER B 64 8.655 -4.966 12.712 1.00 0.67 H new ATOM 0 HB3 SER B 64 9.563 -3.942 13.807 1.00 0.67 H new ATOM 0 HG SER B 64 8.399 -2.714 12.217 1.00 1.14 H new ATOM 3297 N ASN B 65 11.236 -7.362 12.541 1.00 0.60 N ATOM 3298 CA ASN B 65 11.376 -8.640 13.238 1.00 0.75 C ATOM 3299 C ASN B 65 12.838 -9.052 13.348 1.00 0.76 C ATOM 3300 O ASN B 65 13.183 -9.913 14.155 1.00 0.91 O ATOM 3301 CB ASN B 65 10.602 -9.744 12.507 1.00 0.89 C ATOM 3302 CG ASN B 65 9.138 -9.413 12.305 1.00 1.52 C ATOM 3303 OD1 ASN B 65 8.299 -9.705 13.160 1.00 1.87 O ATOM 3304 ND2 ASN B 65 8.819 -8.809 11.168 1.00 2.34 N ATOM 0 H ASN B 65 11.338 -7.420 11.528 1.00 0.60 H new ATOM 0 HA ASN B 65 10.967 -8.508 14.240 1.00 0.75 H new ATOM 0 HB2 ASN B 65 11.065 -9.922 11.536 1.00 0.89 H new ATOM 0 HB3 ASN B 65 10.683 -10.672 13.073 1.00 0.89 H new ATOM 0 HD21 ASN B 65 7.847 -8.568 10.974 1.00 2.34 H new ATOM 0 HD22 ASN B 65 9.546 -8.586 10.488 1.00 2.34 H new ATOM 3311 N ARG B 66 13.684 -8.430 12.530 1.00 0.68 N ATOM 3312 CA ARG B 66 15.093 -8.809 12.413 1.00 0.81 C ATOM 3313 C ARG B 66 15.214 -10.215 11.848 1.00 0.88 C ATOM 3314 O ARG B 66 15.876 -11.085 12.417 1.00 1.11 O ATOM 3315 CB ARG B 66 15.842 -8.704 13.745 1.00 1.04 C ATOM 3316 CG ARG B 66 16.129 -7.276 14.169 1.00 1.10 C ATOM 3317 CD ARG B 66 17.079 -7.222 15.354 1.00 1.39 C ATOM 3318 NE ARG B 66 16.525 -7.860 16.547 1.00 2.08 N ATOM 3319 CZ ARG B 66 16.272 -7.209 17.679 1.00 2.77 C ATOM 3320 NH1 ARG B 66 16.438 -5.893 17.743 1.00 2.86 N ATOM 3321 NH2 ARG B 66 15.829 -7.868 18.743 1.00 3.79 N ATOM 0 H ARG B 66 13.414 -7.650 11.930 1.00 0.68 H new ATOM 0 HA ARG B 66 15.560 -8.101 11.728 1.00 0.81 H new ATOM 0 HB2 ARG B 66 15.255 -9.194 14.522 1.00 1.04 H new ATOM 0 HB3 ARG B 66 16.784 -9.247 13.667 1.00 1.04 H new ATOM 0 HG2 ARG B 66 16.560 -6.727 13.332 1.00 1.10 H new ATOM 0 HG3 ARG B 66 15.195 -6.779 14.429 1.00 1.10 H new ATOM 0 HD2 ARG B 66 18.016 -7.711 15.087 1.00 1.39 H new ATOM 0 HD3 ARG B 66 17.315 -6.182 15.579 1.00 1.39 H new ATOM 0 HE ARG B 66 16.321 -8.859 16.509 1.00 2.08 H new ATOM 0 HH11 ARG B 66 16.760 -5.379 16.923 1.00 2.86 H new ATOM 0 HH12 ARG B 66 16.243 -5.396 18.612 1.00 2.86 H new ATOM 0 HH21 ARG B 66 15.682 -8.876 18.694 1.00 3.79 H new ATOM 0 HH22 ARG B 66 15.636 -7.366 19.610 1.00 3.79 H new ATOM 3335 N ASP B 67 14.563 -10.419 10.719 1.00 0.75 N ATOM 3336 CA ASP B 67 14.614 -11.683 10.009 1.00 0.88 C ATOM 3337 C ASP B 67 15.378 -11.466 8.716 1.00 0.77 C ATOM 3338 O ASP B 67 15.837 -12.410 8.073 1.00 0.96 O ATOM 3339 CB ASP B 67 13.191 -12.186 9.732 1.00 1.00 C ATOM 3340 CG ASP B 67 13.155 -13.529 9.029 1.00 1.39 C ATOM 3341 OD1 ASP B 67 13.821 -14.475 9.498 1.00 1.93 O ATOM 3342 OD2 ASP B 67 12.445 -13.649 8.008 1.00 1.95 O ATOM 0 H ASP B 67 13.983 -9.712 10.267 1.00 0.75 H new ATOM 0 HA ASP B 67 15.120 -12.440 10.608 1.00 0.88 H new ATOM 0 HB2 ASP B 67 12.650 -12.263 10.675 1.00 1.00 H new ATOM 0 HB3 ASP B 67 12.665 -11.451 9.123 1.00 1.00 H new ATOM 3347 N ASN B 68 15.506 -10.181 8.356 1.00 0.62 N ATOM 3348 CA ASN B 68 16.264 -9.745 7.180 1.00 0.55 C ATOM 3349 C ASN B 68 15.526 -10.118 5.909 1.00 0.43 C ATOM 3350 O ASN B 68 16.068 -10.029 4.806 1.00 0.57 O ATOM 3351 CB ASN B 68 17.687 -10.325 7.170 1.00 0.77 C ATOM 3352 CG ASN B 68 18.601 -9.678 8.197 1.00 1.30 C ATOM 3353 OD1 ASN B 68 18.036 -9.249 9.314 1.00 1.41 O flip ATOM 3354 ND2 ASN B 68 19.810 -9.571 7.990 1.00 2.22 N flip ATOM 0 H ASN B 68 15.083 -9.413 8.877 1.00 0.62 H new ATOM 0 HA ASN B 68 16.356 -8.660 7.230 1.00 0.55 H new ATOM 0 HB2 ASN B 68 17.637 -11.397 7.361 1.00 0.77 H new ATOM 0 HB3 ASN B 68 18.118 -10.197 6.177 1.00 0.77 H new ATOM 0 HD21 ASN B 68 20.210 -9.914 7.117 1.00 2.22 H new ATOM 0 HD22 ASN B 68 20.411 -9.140 8.692 1.00 2.22 H new ATOM 3361 N GLU B 69 14.276 -10.501 6.081 1.00 0.42 N ATOM 3362 CA GLU B 69 13.417 -10.907 4.994 1.00 0.42 C ATOM 3363 C GLU B 69 12.012 -10.406 5.275 1.00 0.39 C ATOM 3364 O GLU B 69 11.376 -10.823 6.243 1.00 0.54 O ATOM 3365 CB GLU B 69 13.415 -12.428 4.850 1.00 0.60 C ATOM 3366 CG GLU B 69 14.801 -13.040 4.918 1.00 1.04 C ATOM 3367 CD GLU B 69 14.834 -14.472 4.446 1.00 1.44 C ATOM 3368 OE1 GLU B 69 14.348 -15.358 5.177 1.00 2.09 O ATOM 3369 OE2 GLU B 69 15.353 -14.720 3.342 1.00 1.84 O ATOM 0 H GLU B 69 13.825 -10.538 6.995 1.00 0.42 H new ATOM 0 HA GLU B 69 13.784 -10.482 4.060 1.00 0.42 H new ATOM 0 HB2 GLU B 69 12.796 -12.859 5.637 1.00 0.60 H new ATOM 0 HB3 GLU B 69 12.954 -12.695 3.899 1.00 0.60 H new ATOM 0 HG2 GLU B 69 15.485 -12.447 4.311 1.00 1.04 H new ATOM 0 HG3 GLU B 69 15.164 -12.993 5.945 1.00 1.04 H new ATOM 3376 N VAL B 70 11.543 -9.502 4.440 1.00 0.28 N ATOM 3377 CA VAL B 70 10.275 -8.832 4.666 1.00 0.25 C ATOM 3378 C VAL B 70 9.086 -9.781 4.500 1.00 0.25 C ATOM 3379 O VAL B 70 8.947 -10.457 3.476 1.00 0.33 O ATOM 3380 CB VAL B 70 10.146 -7.607 3.733 1.00 0.26 C ATOM 3381 CG1 VAL B 70 8.698 -7.254 3.469 1.00 0.29 C ATOM 3382 CG2 VAL B 70 10.861 -6.418 4.347 1.00 0.30 C ATOM 0 H VAL B 70 12.025 -9.211 3.590 1.00 0.28 H new ATOM 0 HA VAL B 70 10.260 -8.488 5.700 1.00 0.25 H new ATOM 0 HB VAL B 70 10.606 -7.863 2.779 1.00 0.26 H new ATOM 0 HG11 VAL B 70 8.649 -6.388 2.809 1.00 0.29 H new ATOM 0 HG12 VAL B 70 8.198 -8.099 2.996 1.00 0.29 H new ATOM 0 HG13 VAL B 70 8.203 -7.020 4.412 1.00 0.29 H new ATOM 0 HG21 VAL B 70 10.768 -5.556 3.686 1.00 0.30 H new ATOM 0 HG22 VAL B 70 10.414 -6.184 5.313 1.00 0.30 H new ATOM 0 HG23 VAL B 70 11.915 -6.658 4.483 1.00 0.30 H new ATOM 3392 N ASP B 71 8.252 -9.830 5.540 1.00 0.25 N ATOM 3393 CA ASP B 71 7.034 -10.639 5.543 1.00 0.29 C ATOM 3394 C ASP B 71 5.879 -9.826 4.941 1.00 0.22 C ATOM 3395 O ASP B 71 6.094 -8.713 4.474 1.00 0.21 O ATOM 3396 CB ASP B 71 6.710 -11.099 6.973 1.00 0.42 C ATOM 3397 CG ASP B 71 5.706 -12.237 7.018 1.00 1.18 C ATOM 3398 OD1 ASP B 71 6.124 -13.415 6.975 1.00 1.72 O ATOM 3399 OD2 ASP B 71 4.493 -11.958 7.103 1.00 2.06 O ATOM 0 H ASP B 71 8.403 -9.309 6.404 1.00 0.25 H new ATOM 0 HA ASP B 71 7.182 -11.530 4.933 1.00 0.29 H new ATOM 0 HB2 ASP B 71 7.630 -11.414 7.464 1.00 0.42 H new ATOM 0 HB3 ASP B 71 6.319 -10.254 7.540 1.00 0.42 H new ATOM 3404 N PHE B 72 4.662 -10.362 4.968 1.00 0.21 N ATOM 3405 CA PHE B 72 3.570 -9.809 4.171 1.00 0.19 C ATOM 3406 C PHE B 72 3.180 -8.383 4.577 1.00 0.15 C ATOM 3407 O PHE B 72 3.273 -7.471 3.756 1.00 0.14 O ATOM 3408 CB PHE B 72 2.341 -10.714 4.209 1.00 0.21 C ATOM 3409 CG PHE B 72 1.522 -10.642 2.947 1.00 0.20 C ATOM 3410 CD1 PHE B 72 1.796 -9.686 1.974 1.00 1.19 C ATOM 3411 CD2 PHE B 72 0.494 -11.540 2.722 1.00 1.18 C ATOM 3412 CE1 PHE B 72 1.059 -9.627 0.809 1.00 1.20 C ATOM 3413 CE2 PHE B 72 -0.245 -11.488 1.556 1.00 1.20 C ATOM 3414 CZ PHE B 72 0.039 -10.532 0.600 1.00 0.32 C ATOM 0 H PHE B 72 4.407 -11.174 5.530 1.00 0.21 H new ATOM 0 HA PHE B 72 3.951 -9.759 3.151 1.00 0.19 H new ATOM 0 HB2 PHE B 72 2.659 -11.744 4.372 1.00 0.21 H new ATOM 0 HB3 PHE B 72 1.717 -10.435 5.058 1.00 0.21 H new ATOM 0 HD1 PHE B 72 2.597 -8.980 2.133 1.00 1.19 H new ATOM 0 HD2 PHE B 72 0.267 -12.290 3.466 1.00 1.18 H new ATOM 0 HE1 PHE B 72 1.280 -8.876 0.065 1.00 1.20 H new ATOM 0 HE2 PHE B 72 -1.045 -12.195 1.392 1.00 1.20 H new ATOM 0 HZ PHE B 72 -0.538 -10.493 -0.312 1.00 0.32 H new ATOM 3424 N GLN B 73 2.734 -8.166 5.819 1.00 0.15 N ATOM 3425 CA GLN B 73 2.299 -6.821 6.205 1.00 0.14 C ATOM 3426 C GLN B 73 3.478 -5.867 6.136 1.00 0.12 C ATOM 3427 O GLN B 73 3.307 -4.698 5.818 1.00 0.13 O ATOM 3428 CB GLN B 73 1.651 -6.756 7.600 1.00 0.16 C ATOM 3429 CG GLN B 73 0.778 -5.520 7.775 1.00 0.26 C ATOM 3430 CD GLN B 73 0.260 -5.336 9.188 1.00 0.22 C ATOM 3431 OE1 GLN B 73 -0.829 -4.804 9.391 1.00 0.68 O ATOM 3432 NE2 GLN B 73 1.042 -5.740 10.173 1.00 0.60 N ATOM 0 H GLN B 73 2.666 -8.875 6.549 1.00 0.15 H new ATOM 0 HA GLN B 73 1.525 -6.528 5.496 1.00 0.14 H new ATOM 0 HB2 GLN B 73 1.048 -7.650 7.760 1.00 0.16 H new ATOM 0 HB3 GLN B 73 2.431 -6.758 8.361 1.00 0.16 H new ATOM 0 HG2 GLN B 73 1.351 -4.638 7.490 1.00 0.26 H new ATOM 0 HG3 GLN B 73 -0.069 -5.585 7.092 1.00 0.26 H new ATOM 0 HE21 GLN B 73 1.940 -6.178 9.965 1.00 0.60 H new ATOM 0 HE22 GLN B 73 0.748 -5.614 11.142 1.00 0.60 H new ATOM 3441 N GLU B 74 4.676 -6.392 6.390 1.00 0.14 N ATOM 3442 CA GLU B 74 5.897 -5.604 6.307 1.00 0.17 C ATOM 3443 C GLU B 74 6.124 -5.151 4.864 1.00 0.14 C ATOM 3444 O GLU B 74 6.593 -4.047 4.606 1.00 0.16 O ATOM 3445 CB GLU B 74 7.091 -6.439 6.776 1.00 0.27 C ATOM 3446 CG GLU B 74 8.244 -5.612 7.316 1.00 0.38 C ATOM 3447 CD GLU B 74 7.954 -5.062 8.697 1.00 0.43 C ATOM 3448 OE1 GLU B 74 7.357 -3.978 8.792 1.00 1.10 O ATOM 3449 OE2 GLU B 74 8.331 -5.715 9.698 1.00 1.21 O ATOM 0 H GLU B 74 4.823 -7.366 6.656 1.00 0.14 H new ATOM 0 HA GLU B 74 5.798 -4.729 6.949 1.00 0.17 H new ATOM 0 HB2 GLU B 74 6.757 -7.129 7.551 1.00 0.27 H new ATOM 0 HB3 GLU B 74 7.449 -7.044 5.943 1.00 0.27 H new ATOM 0 HG2 GLU B 74 9.144 -6.226 7.353 1.00 0.38 H new ATOM 0 HG3 GLU B 74 8.449 -4.787 6.634 1.00 0.38 H new ATOM 3456 N TYR B 75 5.773 -6.025 3.930 1.00 0.14 N ATOM 3457 CA TYR B 75 5.906 -5.744 2.509 1.00 0.14 C ATOM 3458 C TYR B 75 4.907 -4.674 2.082 1.00 0.11 C ATOM 3459 O TYR B 75 5.217 -3.816 1.262 1.00 0.13 O ATOM 3460 CB TYR B 75 5.706 -7.042 1.701 1.00 0.16 C ATOM 3461 CG TYR B 75 5.808 -6.891 0.198 1.00 0.17 C ATOM 3462 CD1 TYR B 75 4.748 -6.390 -0.549 1.00 1.21 C ATOM 3463 CD2 TYR B 75 6.966 -7.259 -0.476 1.00 1.19 C ATOM 3464 CE1 TYR B 75 4.836 -6.254 -1.919 1.00 1.22 C ATOM 3465 CE2 TYR B 75 7.063 -7.126 -1.850 1.00 1.20 C ATOM 3466 CZ TYR B 75 5.997 -6.622 -2.566 1.00 0.22 C ATOM 3467 OH TYR B 75 6.092 -6.490 -3.933 1.00 0.26 O ATOM 0 H TYR B 75 5.389 -6.947 4.137 1.00 0.14 H new ATOM 0 HA TYR B 75 6.908 -5.363 2.311 1.00 0.14 H new ATOM 0 HB2 TYR B 75 6.447 -7.771 2.027 1.00 0.16 H new ATOM 0 HB3 TYR B 75 4.726 -7.453 1.943 1.00 0.16 H new ATOM 0 HD1 TYR B 75 3.837 -6.101 -0.046 1.00 1.21 H new ATOM 0 HD2 TYR B 75 7.803 -7.655 0.081 1.00 1.19 H new ATOM 0 HE1 TYR B 75 4.001 -5.862 -2.481 1.00 1.22 H new ATOM 0 HE2 TYR B 75 7.970 -7.416 -2.360 1.00 1.20 H new ATOM 0 HH TYR B 75 5.198 -6.357 -4.312 1.00 0.26 H new ATOM 3477 N CYS B 76 3.715 -4.717 2.650 1.00 0.11 N ATOM 3478 CA CYS B 76 2.671 -3.791 2.264 1.00 0.12 C ATOM 3479 C CYS B 76 2.751 -2.475 3.032 1.00 0.12 C ATOM 3480 O CYS B 76 2.425 -1.423 2.488 1.00 0.13 O ATOM 3481 CB CYS B 76 1.305 -4.445 2.442 1.00 0.14 C ATOM 3482 SG CYS B 76 1.146 -6.039 1.607 1.00 0.22 S ATOM 0 H CYS B 76 3.449 -5.381 3.377 1.00 0.11 H new ATOM 0 HA CYS B 76 2.816 -3.547 1.212 1.00 0.12 H new ATOM 0 HB2 CYS B 76 1.114 -4.582 3.506 1.00 0.14 H new ATOM 0 HB3 CYS B 76 0.537 -3.770 2.065 1.00 0.14 H new ATOM 0 HG CYS B 76 1.908 -6.914 2.194 1.00 0.22 H new ATOM 3488 N VAL B 77 3.177 -2.511 4.288 1.00 0.13 N ATOM 3489 CA VAL B 77 3.402 -1.275 5.028 1.00 0.14 C ATOM 3490 C VAL B 77 4.551 -0.523 4.364 1.00 0.14 C ATOM 3491 O VAL B 77 4.597 0.700 4.363 1.00 0.19 O ATOM 3492 CB VAL B 77 3.697 -1.540 6.531 1.00 0.16 C ATOM 3493 CG1 VAL B 77 4.930 -2.389 6.683 1.00 0.14 C ATOM 3494 CG2 VAL B 77 3.848 -0.250 7.326 1.00 0.20 C ATOM 0 H VAL B 77 3.371 -3.366 4.809 1.00 0.13 H new ATOM 0 HA VAL B 77 2.495 -0.671 5.000 1.00 0.14 H new ATOM 0 HB VAL B 77 2.838 -2.074 6.936 1.00 0.16 H new ATOM 0 HG11 VAL B 77 5.122 -2.565 7.741 1.00 0.14 H new ATOM 0 HG12 VAL B 77 4.779 -3.343 6.178 1.00 0.14 H new ATOM 0 HG13 VAL B 77 5.783 -1.875 6.240 1.00 0.14 H new ATOM 0 HG21 VAL B 77 4.053 -0.488 8.370 1.00 0.20 H new ATOM 0 HG22 VAL B 77 4.673 0.334 6.918 1.00 0.20 H new ATOM 0 HG23 VAL B 77 2.926 0.328 7.260 1.00 0.20 H new ATOM 3504 N PHE B 78 5.457 -1.295 3.774 1.00 0.11 N ATOM 3505 CA PHE B 78 6.491 -0.778 2.887 1.00 0.11 C ATOM 3506 C PHE B 78 5.868 0.052 1.772 1.00 0.11 C ATOM 3507 O PHE B 78 6.302 1.170 1.486 1.00 0.11 O ATOM 3508 CB PHE B 78 7.254 -1.974 2.304 1.00 0.12 C ATOM 3509 CG PHE B 78 8.055 -1.693 1.068 1.00 0.12 C ATOM 3510 CD1 PHE B 78 7.468 -1.771 -0.189 1.00 1.18 C ATOM 3511 CD2 PHE B 78 9.395 -1.383 1.162 1.00 1.17 C ATOM 3512 CE1 PHE B 78 8.211 -1.535 -1.329 1.00 1.18 C ATOM 3513 CE2 PHE B 78 10.146 -1.153 0.026 1.00 1.18 C ATOM 3514 CZ PHE B 78 9.552 -1.228 -1.220 1.00 0.15 C ATOM 0 H PHE B 78 5.494 -2.307 3.900 1.00 0.11 H new ATOM 0 HA PHE B 78 7.173 -0.131 3.439 1.00 0.11 H new ATOM 0 HB2 PHE B 78 7.926 -2.362 3.070 1.00 0.12 H new ATOM 0 HB3 PHE B 78 6.538 -2.764 2.079 1.00 0.12 H new ATOM 0 HD1 PHE B 78 6.420 -2.019 -0.275 1.00 1.18 H new ATOM 0 HD2 PHE B 78 9.862 -1.319 2.134 1.00 1.17 H new ATOM 0 HE1 PHE B 78 7.745 -1.590 -2.302 1.00 1.18 H new ATOM 0 HE2 PHE B 78 11.196 -0.915 0.111 1.00 1.18 H new ATOM 0 HZ PHE B 78 10.138 -1.046 -2.109 1.00 0.15 H new ATOM 3524 N LEU B 79 4.845 -0.511 1.156 1.00 0.14 N ATOM 3525 CA LEU B 79 4.149 0.128 0.057 1.00 0.16 C ATOM 3526 C LEU B 79 3.428 1.379 0.503 1.00 0.17 C ATOM 3527 O LEU B 79 3.634 2.463 -0.045 1.00 0.20 O ATOM 3528 CB LEU B 79 3.157 -0.844 -0.558 1.00 0.15 C ATOM 3529 CG LEU B 79 3.752 -1.797 -1.579 1.00 0.15 C ATOM 3530 CD1 LEU B 79 3.520 -3.236 -1.176 1.00 0.19 C ATOM 3531 CD2 LEU B 79 3.137 -1.522 -2.919 1.00 0.14 C ATOM 0 H LEU B 79 4.473 -1.427 1.405 1.00 0.14 H new ATOM 0 HA LEU B 79 4.893 0.418 -0.685 1.00 0.16 H new ATOM 0 HB2 LEU B 79 2.699 -1.428 0.240 1.00 0.15 H new ATOM 0 HB3 LEU B 79 2.359 -0.275 -1.035 1.00 0.15 H new ATOM 0 HG LEU B 79 4.829 -1.639 -1.630 1.00 0.15 H new ATOM 0 HD11 LEU B 79 3.956 -3.898 -1.924 1.00 0.19 H new ATOM 0 HD12 LEU B 79 3.988 -3.423 -0.209 1.00 0.19 H new ATOM 0 HD13 LEU B 79 2.449 -3.425 -1.104 1.00 0.19 H new ATOM 0 HD21 LEU B 79 3.558 -2.202 -3.659 1.00 0.14 H new ATOM 0 HD22 LEU B 79 2.059 -1.671 -2.862 1.00 0.14 H new ATOM 0 HD23 LEU B 79 3.346 -0.493 -3.211 1.00 0.14 H new ATOM 3543 N SER B 80 2.583 1.222 1.497 1.00 0.19 N ATOM 3544 CA SER B 80 1.825 2.328 2.030 1.00 0.21 C ATOM 3545 C SER B 80 2.748 3.405 2.567 1.00 0.20 C ATOM 3546 O SER B 80 2.419 4.591 2.539 1.00 0.24 O ATOM 3547 CB SER B 80 0.890 1.812 3.102 1.00 0.22 C ATOM 3548 OG SER B 80 1.530 0.861 3.927 1.00 0.18 O ATOM 0 H SER B 80 2.403 0.329 1.956 1.00 0.19 H new ATOM 0 HA SER B 80 1.234 2.783 1.236 1.00 0.21 H new ATOM 0 HB2 SER B 80 0.536 2.644 3.710 1.00 0.22 H new ATOM 0 HB3 SER B 80 0.013 1.362 2.637 1.00 0.22 H new ATOM 0 HG SER B 80 0.864 0.236 4.282 1.00 0.18 H new ATOM 3554 N CYS B 81 3.909 2.981 3.040 1.00 0.17 N ATOM 3555 CA CYS B 81 4.963 3.899 3.395 1.00 0.18 C ATOM 3556 C CYS B 81 5.298 4.775 2.208 1.00 0.33 C ATOM 3557 O CYS B 81 5.208 5.988 2.294 1.00 0.72 O ATOM 3558 CB CYS B 81 6.213 3.150 3.842 1.00 0.30 C ATOM 3559 SG CYS B 81 7.735 4.078 3.581 1.00 1.83 S ATOM 0 H CYS B 81 4.140 1.998 3.185 1.00 0.17 H new ATOM 0 HA CYS B 81 4.614 4.516 4.223 1.00 0.18 H new ATOM 0 HB2 CYS B 81 6.122 2.906 4.900 1.00 0.30 H new ATOM 0 HB3 CYS B 81 6.275 2.206 3.301 1.00 0.30 H new ATOM 0 HG CYS B 81 8.209 3.810 2.401 1.00 1.83 H new ATOM 3565 N ILE B 82 5.651 4.144 1.091 1.00 0.17 N ATOM 3566 CA ILE B 82 6.059 4.873 -0.096 1.00 0.19 C ATOM 3567 C ILE B 82 4.980 5.848 -0.542 1.00 0.21 C ATOM 3568 O ILE B 82 5.246 7.026 -0.742 1.00 0.28 O ATOM 3569 CB ILE B 82 6.393 3.938 -1.277 1.00 0.19 C ATOM 3570 CG1 ILE B 82 7.534 2.992 -0.910 1.00 0.24 C ATOM 3571 CG2 ILE B 82 6.765 4.768 -2.492 1.00 0.24 C ATOM 3572 CD1 ILE B 82 8.263 2.433 -2.114 1.00 0.41 C ATOM 0 H ILE B 82 5.661 3.129 0.988 1.00 0.17 H new ATOM 0 HA ILE B 82 6.961 5.417 0.185 1.00 0.19 H new ATOM 0 HB ILE B 82 5.515 3.335 -1.509 1.00 0.19 H new ATOM 0 HG12 ILE B 82 8.246 3.522 -0.277 1.00 0.24 H new ATOM 0 HG13 ILE B 82 7.136 2.166 -0.320 1.00 0.24 H new ATOM 0 HG21 ILE B 82 7.001 4.107 -3.326 1.00 0.24 H new ATOM 0 HG22 ILE B 82 5.928 5.411 -2.764 1.00 0.24 H new ATOM 0 HG23 ILE B 82 7.634 5.383 -2.260 1.00 0.24 H new ATOM 0 HD11 ILE B 82 9.061 1.769 -1.781 1.00 0.41 H new ATOM 0 HD12 ILE B 82 7.563 1.875 -2.736 1.00 0.41 H new ATOM 0 HD13 ILE B 82 8.691 3.252 -2.693 1.00 0.41 H new ATOM 3584 N ALA B 83 3.764 5.358 -0.678 1.00 0.26 N ATOM 3585 CA ALA B 83 2.670 6.174 -1.178 1.00 0.32 C ATOM 3586 C ALA B 83 2.388 7.358 -0.259 1.00 0.32 C ATOM 3587 O ALA B 83 2.180 8.479 -0.720 1.00 0.35 O ATOM 3588 CB ALA B 83 1.433 5.322 -1.348 1.00 0.42 C ATOM 0 H ALA B 83 3.506 4.398 -0.450 1.00 0.26 H new ATOM 0 HA ALA B 83 2.961 6.579 -2.147 1.00 0.32 H new ATOM 0 HB1 ALA B 83 0.616 5.938 -1.723 1.00 0.42 H new ATOM 0 HB2 ALA B 83 1.638 4.520 -2.057 1.00 0.42 H new ATOM 0 HB3 ALA B 83 1.152 4.893 -0.386 1.00 0.42 H new ATOM 3594 N MET B 84 2.394 7.104 1.043 1.00 0.33 N ATOM 3595 CA MET B 84 2.156 8.146 2.039 1.00 0.36 C ATOM 3596 C MET B 84 3.366 9.044 2.184 1.00 0.36 C ATOM 3597 O MET B 84 3.245 10.227 2.493 1.00 0.48 O ATOM 3598 CB MET B 84 1.796 7.499 3.367 1.00 0.38 C ATOM 3599 CG MET B 84 1.894 8.418 4.566 1.00 0.44 C ATOM 3600 SD MET B 84 1.742 7.492 6.097 1.00 0.38 S ATOM 3601 CE MET B 84 2.600 5.996 5.607 1.00 0.22 C ATOM 0 H MET B 84 2.562 6.179 1.438 1.00 0.33 H new ATOM 0 HA MET B 84 1.325 8.771 1.710 1.00 0.36 H new ATOM 0 HB2 MET B 84 0.778 7.114 3.304 1.00 0.38 H new ATOM 0 HB3 MET B 84 2.451 6.643 3.528 1.00 0.38 H new ATOM 0 HG2 MET B 84 2.848 8.945 4.548 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.111 9.174 4.514 1.00 0.44 H new ATOM 0 HE1 MET B 84 2.998 5.499 6.491 1.00 0.22 H new ATOM 0 HE2 MET B 84 1.905 5.328 5.097 1.00 0.22 H new ATOM 0 HE3 MET B 84 3.419 6.250 4.934 1.00 0.22 H new ATOM 3611 N MET B 85 4.529 8.478 1.956 1.00 0.28 N ATOM 3612 CA MET B 85 5.747 9.249 1.902 1.00 0.29 C ATOM 3613 C MET B 85 5.678 10.194 0.701 1.00 0.34 C ATOM 3614 O MET B 85 6.143 11.329 0.746 1.00 0.48 O ATOM 3615 CB MET B 85 6.928 8.311 1.779 1.00 0.28 C ATOM 3616 CG MET B 85 8.220 8.948 2.214 1.00 0.32 C ATOM 3617 SD MET B 85 9.631 8.381 1.247 1.00 0.29 S ATOM 3618 CE MET B 85 9.525 6.645 1.627 1.00 0.25 C ATOM 0 H MET B 85 4.656 7.477 1.804 1.00 0.28 H new ATOM 0 HA MET B 85 5.867 9.838 2.811 1.00 0.29 H new ATOM 0 HB2 MET B 85 6.745 7.421 2.381 1.00 0.28 H new ATOM 0 HB3 MET B 85 7.020 7.982 0.744 1.00 0.28 H new ATOM 0 HG2 MET B 85 8.135 10.031 2.125 1.00 0.32 H new ATOM 0 HG3 MET B 85 8.393 8.727 3.267 1.00 0.32 H new ATOM 0 HE1 MET B 85 10.527 6.243 1.775 1.00 0.25 H new ATOM 0 HE2 MET B 85 8.940 6.507 2.536 1.00 0.25 H new ATOM 0 HE3 MET B 85 9.042 6.121 0.802 1.00 0.25 H new ATOM 3628 N CYS B 86 5.053 9.694 -0.363 1.00 0.31 N ATOM 3629 CA CYS B 86 4.826 10.447 -1.592 1.00 0.34 C ATOM 3630 C CYS B 86 3.716 11.473 -1.414 1.00 0.39 C ATOM 3631 O CYS B 86 3.587 12.413 -2.200 1.00 0.46 O ATOM 3632 CB CYS B 86 4.440 9.475 -2.711 1.00 0.39 C ATOM 3633 SG CYS B 86 3.914 10.270 -4.243 1.00 0.94 S ATOM 0 H CYS B 86 4.686 8.743 -0.395 1.00 0.31 H new ATOM 0 HA CYS B 86 5.744 10.977 -1.846 1.00 0.34 H new ATOM 0 HB2 CYS B 86 5.292 8.830 -2.925 1.00 0.39 H new ATOM 0 HB3 CYS B 86 3.635 8.832 -2.355 1.00 0.39 H new ATOM 0 HG CYS B 86 3.612 9.361 -5.122 1.00 0.94 H new ATOM 3639 N ASN B 87 2.914 11.283 -0.379 1.00 0.45 N ATOM 3640 CA ASN B 87 1.738 12.106 -0.141 1.00 0.58 C ATOM 3641 C ASN B 87 2.093 13.593 0.010 1.00 0.68 C ATOM 3642 O ASN B 87 1.245 14.454 -0.174 1.00 0.89 O ATOM 3643 CB ASN B 87 0.994 11.613 1.100 1.00 0.72 C ATOM 3644 CG ASN B 87 -0.381 12.234 1.264 1.00 1.10 C ATOM 3645 OD1 ASN B 87 -1.046 12.530 0.157 1.00 1.72 O flip ATOM 3646 ND2 ASN B 87 -0.852 12.422 2.384 1.00 1.77 N flip ATOM 0 H ASN B 87 3.059 10.554 0.320 1.00 0.45 H new ATOM 0 HA ASN B 87 1.092 12.013 -1.014 1.00 0.58 H new ATOM 0 HB2 ASN B 87 0.891 10.529 1.046 1.00 0.72 H new ATOM 0 HB3 ASN B 87 1.592 11.833 1.984 1.00 0.72 H new ATOM 0 HD21 ASN B 87 -0.309 12.181 3.213 1.00 1.77 H new ATOM 0 HD22 ASN B 87 -1.786 12.819 2.484 1.00 1.77 H new ATOM 3653 N GLU B 88 3.335 13.909 0.364 1.00 0.70 N ATOM 3654 CA GLU B 88 3.750 15.310 0.392 1.00 0.89 C ATOM 3655 C GLU B 88 4.344 15.728 -0.951 1.00 0.86 C ATOM 3656 O GLU B 88 4.267 16.891 -1.343 1.00 1.06 O ATOM 3657 CB GLU B 88 4.750 15.595 1.518 1.00 1.03 C ATOM 3658 CG GLU B 88 6.102 14.927 1.355 1.00 1.51 C ATOM 3659 CD GLU B 88 7.166 15.588 2.207 1.00 1.72 C ATOM 3660 OE1 GLU B 88 6.999 15.649 3.441 1.00 1.98 O ATOM 3661 OE2 GLU B 88 8.183 16.051 1.650 1.00 2.33 O ATOM 0 H GLU B 88 4.055 13.237 0.629 1.00 0.70 H new ATOM 0 HA GLU B 88 2.854 15.900 0.586 1.00 0.89 H new ATOM 0 HB2 GLU B 88 4.899 16.672 1.588 1.00 1.03 H new ATOM 0 HB3 GLU B 88 4.313 15.272 2.463 1.00 1.03 H new ATOM 0 HG2 GLU B 88 6.022 13.874 1.627 1.00 1.51 H new ATOM 0 HG3 GLU B 88 6.401 14.964 0.307 1.00 1.51 H new ATOM 3668 N PHE B 89 4.907 14.761 -1.661 1.00 0.69 N ATOM 3669 CA PHE B 89 5.597 15.031 -2.920 1.00 0.71 C ATOM 3670 C PHE B 89 4.623 15.206 -4.080 1.00 0.73 C ATOM 3671 O PHE B 89 4.430 16.316 -4.573 1.00 0.88 O ATOM 3672 CB PHE B 89 6.576 13.900 -3.248 1.00 0.69 C ATOM 3673 CG PHE B 89 7.761 13.836 -2.331 1.00 0.91 C ATOM 3674 CD1 PHE B 89 8.851 14.665 -2.533 1.00 1.65 C ATOM 3675 CD2 PHE B 89 7.789 12.948 -1.270 1.00 1.53 C ATOM 3676 CE1 PHE B 89 9.945 14.610 -1.695 1.00 1.99 C ATOM 3677 CE2 PHE B 89 8.881 12.888 -0.429 1.00 1.89 C ATOM 3678 CZ PHE B 89 9.960 13.721 -0.641 1.00 1.81 C ATOM 0 H PHE B 89 4.901 13.778 -1.388 1.00 0.69 H new ATOM 0 HA PHE B 89 6.142 15.966 -2.789 1.00 0.71 H new ATOM 0 HB2 PHE B 89 6.045 12.949 -3.206 1.00 0.69 H new ATOM 0 HB3 PHE B 89 6.928 14.023 -4.272 1.00 0.69 H new ATOM 0 HD1 PHE B 89 8.845 15.363 -3.357 1.00 1.65 H new ATOM 0 HD2 PHE B 89 6.946 12.295 -1.098 1.00 1.53 H new ATOM 0 HE1 PHE B 89 10.789 15.262 -1.864 1.00 1.99 H new ATOM 0 HE2 PHE B 89 8.891 12.189 0.395 1.00 1.89 H new ATOM 0 HZ PHE B 89 10.815 13.677 0.017 1.00 1.81 H new ATOM 3688 N PHE B 90 4.002 14.110 -4.497 1.00 0.63 N ATOM 3689 CA PHE B 90 3.124 14.120 -5.663 1.00 0.66 C ATOM 3690 C PHE B 90 1.877 14.947 -5.392 1.00 0.69 C ATOM 3691 O PHE B 90 1.473 15.770 -6.213 1.00 0.83 O ATOM 3692 CB PHE B 90 2.734 12.690 -6.047 1.00 0.69 C ATOM 3693 CG PHE B 90 1.809 12.606 -7.231 1.00 0.95 C ATOM 3694 CD1 PHE B 90 2.317 12.532 -8.517 1.00 1.79 C ATOM 3695 CD2 PHE B 90 0.432 12.598 -7.059 1.00 1.44 C ATOM 3696 CE1 PHE B 90 1.474 12.451 -9.609 1.00 2.09 C ATOM 3697 CE2 PHE B 90 -0.415 12.518 -8.148 1.00 1.68 C ATOM 3698 CZ PHE B 90 0.106 12.444 -9.423 1.00 1.67 C ATOM 0 H PHE B 90 4.090 13.200 -4.045 1.00 0.63 H new ATOM 0 HA PHE B 90 3.665 14.574 -6.493 1.00 0.66 H new ATOM 0 HB2 PHE B 90 3.639 12.123 -6.265 1.00 0.69 H new ATOM 0 HB3 PHE B 90 2.257 12.212 -5.191 1.00 0.69 H new ATOM 0 HD1 PHE B 90 3.386 12.538 -8.669 1.00 1.79 H new ATOM 0 HD2 PHE B 90 0.018 12.655 -6.063 1.00 1.44 H new ATOM 0 HE1 PHE B 90 1.885 12.393 -10.606 1.00 2.09 H new ATOM 0 HE2 PHE B 90 -1.485 12.513 -8.001 1.00 1.68 H new ATOM 0 HZ PHE B 90 -0.555 12.381 -10.275 1.00 1.67 H new