USER MOD reduce.3.24.130724 H: found=0, std=0, add=1556, rem=0, adj=65 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: C1915 SER OG : rot 180:sc= 0 USER MOD Set 1.2: C1918 LYS NZ :NH3+ 150:sc= 1.24 (180deg=1.09) USER MOD Set 2.1: B 81 CYS SG : rot -100:sc= -11.7! USER MOD Set 2.2: B 85 MET CE :methyl -161:sc= -0.53 (180deg=-1.41) USER MOD Set 3.1: B 18 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.16) USER MOD Set 3.2: B 19 TYR OH : rot 16:sc= 1.23 USER MOD Set 4.1: A 12 MET CE :methyl 160:sc= -0.315 (180deg=-0.84) USER MOD Set 4.2: A 80 SER OG : rot -90:sc= -1.45 USER MOD Set 4.3: B 12 MET CE :methyl 180:sc= -2.92! (180deg=-2.68!) USER MOD Set 4.4: B 80 SER OG : rot -147:sc= -1.14! USER MOD Set 5.1: A 81 CYS SG : rot 34:sc= -4.61! USER MOD Set 5.2: A 84 MET CE :methyl 178:sc= -4.65! (180deg=-4.84!) USER MOD Set 5.3: C1910 MET CE :methyl -172:sc= -5.79! (180deg=-6.08!) USER MOD Set 6.1: A 57 LYS NZ :NH3+ -169:sc= 2.34 (180deg=0.751) USER MOD Set 6.2: A 61 ASN : amide:sc= 0.171 K(o=2.5,f=-12!) USER MOD Set 7.1: A 18 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.22) USER MOD Set 7.2: A 19 TYR OH : rot 8:sc= 1.23 USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0555) USER MOD Single : A 14 SER OG : rot 90:sc= 1.23 USER MOD Single : A 15 THR OG1 : rot -128:sc= 0.678 USER MOD Single : A 17 HIS :FLIP no HE2:sc= 0.103 F(o=-0.94,f=0.1) USER MOD Single : A 20 SER OG : rot -98:sc= 0.126 USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= 0.772 (180deg=-0.863) USER MOD Single : A 30 ASN : amide:sc= -1.33! C(o=-1.3!,f=-8.2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -88:sc= 1.06 USER MOD Single : A 35 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.19) USER MOD Single : A 39 THR OG1 : rot -9:sc= -0.86! USER MOD Single : A 44 SER OG : rot -97:sc= 1.18 USER MOD Single : A 48 LYS NZ :NH3+ 171:sc=-0.00834 (180deg=-0.0996) USER MOD Single : A 50 THR OG1 : rot 100:sc= -2.93! USER MOD Single : A 56 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 59 MET CE :methyl 167:sc= -2.48! (180deg=-3.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -10:sc= 1.12 USER MOD Single : A 65 ASN : amide:sc= 1.86 K(o=1.9,f=-1.9) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.152 F(o=-2.1!,f=-0.15) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.527 F(o=-4.5!,f=-0.53) USER MOD Single : A 75 TYR OH : rot 0:sc= -1.93! USER MOD Single : A 76 CYS SG : rot 66:sc= -3.81! USER MOD Single : A 85 MET CE :methyl 170:sc= -9.14! (180deg=-10!) USER MOD Single : A 86 CYS SG : rot -16:sc= -1.02 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : B 3 CYS SG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0479) USER MOD Single : B 14 SER OG : rot 72:sc= 1.27 USER MOD Single : B 15 THR OG1 : rot -127:sc= 0.718 USER MOD Single : B 17 HIS :FLIP no HE2:sc= 0.0833 F(o=-0.93,f=0.083) USER MOD Single : B 20 SER OG : rot -90:sc= 0.175 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 ASN : amide:sc= -1.38! C(o=-1.4!,f=-8.3!) USER MOD Single : B 31 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00328) USER MOD Single : B 32 SER OG : rot -90:sc= 1.1 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= -0.144 (180deg=-0.144) USER MOD Single : B 39 THR OG1 : rot -10:sc= -0.783! USER MOD Single : B 44 SER OG : rot -86:sc= 1.15 USER MOD Single : B 48 LYS NZ :NH3+ -171:sc= 1.12 (180deg=0.924) USER MOD Single : B 50 THR OG1 : rot 45:sc= 0.43 USER MOD Single : B 56 GLN :FLIP amide:sc= -0.166 F(o=-1.3,f=-0.17) USER MOD Single : B 57 LYS NZ :NH3+ -167:sc=-0.00782 (180deg=-0.21) USER MOD Single : B 59 MET CE :methyl 174:sc= -4.92! (180deg=-5.15!) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 ASN : amide:sc= -2.12! C(o=-2.1!,f=-7.5!) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 65 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : B 68 ASN :FLIP amide:sc= -0.0546 F(o=-2.1!,f=-0.055) USER MOD Single : B 73 GLN :FLIP amide:sc= -0.0912 F(o=-1.6!,f=-0.091) USER MOD Single : B 75 TYR OH : rot 30:sc= -0.171 USER MOD Single : B 76 CYS SG : rot 78:sc= -0.672 USER MOD Single : B 84 MET CE :methyl 153:sc= -6.63! (180deg=-10.9!) USER MOD Single : B 86 CYS SG : rot 110:sc= -3.68! USER MOD Single : B 87 ASN : amide:sc= -0.738 K(o=-0.74,f=-2.6!) USER MOD Single : C1904 THR OG1 : rot -49:sc= -0.218 USER MOD Single : C1906 THR OG1 : rot 75:sc= 0.731 USER MOD Single : C1911 ASN :FLIP amide:sc=-0.00581 F(o=-0.89,f=-0.0058) USER MOD Single : C1916 SER OG : rot 180:sc= 0 USER MOD Single : C1919 ASN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : C1920 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU C1899 -14.678 -8.512 2.000 1.00 0.40 N ATOM 45 CA GLU C1899 -13.306 -8.916 2.228 1.00 0.29 C ATOM 46 C GLU C1899 -12.544 -7.790 2.894 1.00 0.24 C ATOM 47 O GLU C1899 -11.509 -8.004 3.522 1.00 0.27 O ATOM 48 CB GLU C1899 -12.687 -9.258 0.884 1.00 0.30 C ATOM 49 CG GLU C1899 -13.150 -8.320 -0.222 1.00 0.35 C ATOM 50 CD GLU C1899 -13.386 -9.058 -1.521 1.00 0.62 C ATOM 51 OE1 GLU C1899 -12.437 -9.221 -2.308 1.00 0.76 O ATOM 52 OE2 GLU C1899 -14.533 -9.511 -1.738 1.00 0.97 O ATOM 0 HA GLU C1899 -13.266 -9.785 2.885 1.00 0.29 H new ATOM 0 HB2 GLU C1899 -11.601 -9.212 0.965 1.00 0.30 H new ATOM 0 HB3 GLU C1899 -12.944 -10.283 0.619 1.00 0.30 H new ATOM 0 HG2 GLU C1899 -14.069 -7.821 0.085 1.00 0.35 H new ATOM 0 HG3 GLU C1899 -12.402 -7.542 -0.376 1.00 0.35 H new ATOM 59 N LEU C1900 -13.091 -6.588 2.759 1.00 0.24 N ATOM 60 CA LEU C1900 -12.556 -5.418 3.423 1.00 0.25 C ATOM 61 C LEU C1900 -12.577 -5.609 4.945 1.00 0.28 C ATOM 62 O LEU C1900 -11.941 -4.862 5.685 1.00 0.44 O ATOM 63 CB LEU C1900 -13.335 -4.157 3.021 1.00 0.33 C ATOM 64 CG LEU C1900 -13.087 -3.626 1.608 1.00 0.20 C ATOM 65 CD1 LEU C1900 -11.608 -3.620 1.275 1.00 0.22 C ATOM 66 CD2 LEU C1900 -13.884 -4.387 0.575 1.00 0.31 C ATOM 0 H LEU C1900 -13.915 -6.403 2.187 1.00 0.24 H new ATOM 0 HA LEU C1900 -11.521 -5.288 3.107 1.00 0.25 H new ATOM 0 HB2 LEU C1900 -14.400 -4.365 3.126 1.00 0.33 H new ATOM 0 HB3 LEU C1900 -13.094 -3.366 3.731 1.00 0.33 H new ATOM 0 HG LEU C1900 -13.435 -2.593 1.583 1.00 0.20 H new ATOM 0 HD11 LEU C1900 -11.464 -3.237 0.265 1.00 0.22 H new ATOM 0 HD12 LEU C1900 -11.078 -2.983 1.983 1.00 0.22 H new ATOM 0 HD13 LEU C1900 -11.217 -4.635 1.338 1.00 0.22 H new ATOM 0 HD21 LEU C1900 -13.680 -3.979 -0.415 1.00 0.31 H new ATOM 0 HD22 LEU C1900 -13.601 -5.439 0.600 1.00 0.31 H new ATOM 0 HD23 LEU C1900 -14.948 -4.293 0.794 1.00 0.31 H new ATOM 78 N GLU C1901 -13.309 -6.623 5.399 1.00 0.27 N ATOM 79 CA GLU C1901 -13.314 -7.022 6.799 1.00 0.34 C ATOM 80 C GLU C1901 -11.916 -7.460 7.223 1.00 0.37 C ATOM 81 O GLU C1901 -11.311 -6.865 8.107 1.00 0.52 O ATOM 82 CB GLU C1901 -14.304 -8.172 7.009 1.00 0.48 C ATOM 83 CG GLU C1901 -14.471 -8.586 8.460 1.00 1.00 C ATOM 84 CD GLU C1901 -15.086 -7.492 9.298 1.00 1.11 C ATOM 85 OE1 GLU C1901 -16.328 -7.427 9.376 1.00 1.44 O ATOM 86 OE2 GLU C1901 -14.321 -6.701 9.893 1.00 1.48 O ATOM 0 H GLU C1901 -13.914 -7.190 4.805 1.00 0.27 H new ATOM 0 HA GLU C1901 -13.619 -6.171 7.408 1.00 0.34 H new ATOM 0 HB2 GLU C1901 -15.276 -7.878 6.612 1.00 0.48 H new ATOM 0 HB3 GLU C1901 -13.971 -9.035 6.432 1.00 0.48 H new ATOM 0 HG2 GLU C1901 -15.097 -9.477 8.512 1.00 1.00 H new ATOM 0 HG3 GLU C1901 -13.499 -8.855 8.873 1.00 1.00 H new ATOM 93 N ASP C1902 -11.403 -8.495 6.569 1.00 0.37 N ATOM 94 CA ASP C1902 -10.066 -9.004 6.860 1.00 0.46 C ATOM 95 C ASP C1902 -9.009 -8.115 6.229 1.00 0.44 C ATOM 96 O ASP C1902 -7.830 -8.199 6.560 1.00 0.58 O ATOM 97 CB ASP C1902 -9.905 -10.436 6.346 1.00 0.60 C ATOM 98 CG ASP C1902 -10.731 -11.432 7.126 1.00 1.18 C ATOM 99 OD1 ASP C1902 -11.937 -11.574 6.834 1.00 2.01 O ATOM 100 OD2 ASP C1902 -10.182 -12.085 8.033 1.00 1.42 O ATOM 0 H ASP C1902 -11.893 -9.000 5.831 1.00 0.37 H new ATOM 0 HA ASP C1902 -9.936 -9.002 7.942 1.00 0.46 H new ATOM 0 HB2 ASP C1902 -10.193 -10.475 5.295 1.00 0.60 H new ATOM 0 HB3 ASP C1902 -8.854 -10.721 6.399 1.00 0.60 H new ATOM 105 N ALA C1903 -9.441 -7.273 5.304 1.00 0.36 N ATOM 106 CA ALA C1903 -8.539 -6.355 4.632 1.00 0.46 C ATOM 107 C ALA C1903 -8.100 -5.244 5.548 1.00 0.37 C ATOM 108 O ALA C1903 -6.964 -5.199 6.016 1.00 0.37 O ATOM 109 CB ALA C1903 -9.216 -5.713 3.435 1.00 0.66 C ATOM 0 H ALA C1903 -10.413 -7.207 5.002 1.00 0.36 H new ATOM 0 HA ALA C1903 -7.677 -6.943 4.318 1.00 0.46 H new ATOM 0 HB1 ALA C1903 -8.521 -5.029 2.947 1.00 0.66 H new ATOM 0 HB2 ALA C1903 -9.519 -6.487 2.730 1.00 0.66 H new ATOM 0 HB3 ALA C1903 -10.095 -5.161 3.767 1.00 0.66 H new ATOM 115 N THR C1904 -9.041 -4.369 5.829 1.00 0.37 N ATOM 116 CA THR C1904 -8.725 -3.087 6.382 1.00 0.36 C ATOM 117 C THR C1904 -8.897 -3.061 7.893 1.00 0.34 C ATOM 118 O THR C1904 -8.685 -2.035 8.532 1.00 0.36 O ATOM 119 CB THR C1904 -9.565 -2.005 5.690 1.00 0.40 C ATOM 120 OG1 THR C1904 -10.965 -2.267 5.856 1.00 0.42 O ATOM 121 CG2 THR C1904 -9.236 -1.982 4.203 1.00 0.40 C ATOM 0 H THR C1904 -10.037 -4.532 5.679 1.00 0.37 H new ATOM 0 HA THR C1904 -7.671 -2.880 6.195 1.00 0.36 H new ATOM 0 HB THR C1904 -9.330 -1.042 6.142 1.00 0.40 H new ATOM 0 HG1 THR C1904 -11.153 -3.200 5.623 1.00 0.42 H new ATOM 0 HG21 THR C1904 -9.832 -1.214 3.710 1.00 0.40 H new ATOM 0 HG22 THR C1904 -8.177 -1.762 4.068 1.00 0.40 H new ATOM 0 HG23 THR C1904 -9.463 -2.954 3.765 1.00 0.40 H new ATOM 129 N GLU C1905 -9.272 -4.195 8.469 1.00 0.32 N ATOM 130 CA GLU C1905 -9.195 -4.355 9.910 1.00 0.32 C ATOM 131 C GLU C1905 -7.749 -4.189 10.307 1.00 0.28 C ATOM 132 O GLU C1905 -7.392 -3.408 11.191 1.00 0.32 O ATOM 133 CB GLU C1905 -9.654 -5.743 10.317 1.00 0.36 C ATOM 134 CG GLU C1905 -9.505 -6.030 11.802 1.00 0.62 C ATOM 135 CD GLU C1905 -10.207 -7.302 12.226 1.00 1.25 C ATOM 136 OE1 GLU C1905 -9.776 -8.396 11.802 1.00 2.06 O ATOM 137 OE2 GLU C1905 -11.201 -7.217 12.975 1.00 1.76 O ATOM 0 H GLU C1905 -9.628 -5.007 7.966 1.00 0.32 H new ATOM 0 HA GLU C1905 -9.834 -3.619 10.399 1.00 0.32 H new ATOM 0 HB2 GLU C1905 -10.700 -5.866 10.036 1.00 0.36 H new ATOM 0 HB3 GLU C1905 -9.084 -6.483 9.755 1.00 0.36 H new ATOM 0 HG2 GLU C1905 -8.446 -6.105 12.049 1.00 0.62 H new ATOM 0 HG3 GLU C1905 -9.906 -5.192 12.372 1.00 0.62 H new ATOM 144 N THR C1906 -6.927 -4.937 9.593 1.00 0.25 N ATOM 145 CA THR C1906 -5.498 -4.895 9.736 1.00 0.24 C ATOM 146 C THR C1906 -4.934 -3.587 9.203 1.00 0.21 C ATOM 147 O THR C1906 -3.785 -3.243 9.483 1.00 0.19 O ATOM 148 CB THR C1906 -4.876 -6.079 8.985 1.00 0.29 C ATOM 149 OG1 THR C1906 -5.911 -6.784 8.283 1.00 0.48 O ATOM 150 CG2 THR C1906 -4.183 -7.020 9.956 1.00 0.47 C ATOM 0 H THR C1906 -7.248 -5.600 8.887 1.00 0.25 H new ATOM 0 HA THR C1906 -5.252 -4.961 10.796 1.00 0.24 H new ATOM 0 HB THR C1906 -4.135 -5.705 8.278 1.00 0.29 H new ATOM 0 HG1 THR C1906 -6.182 -6.268 7.495 1.00 0.48 H new ATOM 0 HG21 THR C1906 -3.747 -7.854 9.406 1.00 0.47 H new ATOM 0 HG22 THR C1906 -3.395 -6.483 10.484 1.00 0.47 H new ATOM 0 HG23 THR C1906 -4.909 -7.399 10.676 1.00 0.47 H new ATOM 158 N ALA C1907 -5.740 -2.860 8.420 1.00 0.23 N ATOM 159 CA ALA C1907 -5.329 -1.539 7.955 1.00 0.21 C ATOM 160 C ALA C1907 -4.945 -0.644 9.128 1.00 0.21 C ATOM 161 O ALA C1907 -3.909 0.019 9.091 1.00 0.21 O ATOM 162 CB ALA C1907 -6.399 -0.872 7.102 1.00 0.22 C ATOM 0 H ALA C1907 -6.662 -3.160 8.103 1.00 0.23 H new ATOM 0 HA ALA C1907 -4.452 -1.683 7.324 1.00 0.21 H new ATOM 0 HB1 ALA C1907 -6.048 0.108 6.779 1.00 0.22 H new ATOM 0 HB2 ALA C1907 -6.605 -1.490 6.228 1.00 0.22 H new ATOM 0 HB3 ALA C1907 -7.311 -0.756 7.687 1.00 0.22 H new ATOM 168 N ASP C1908 -5.775 -0.638 10.171 1.00 0.24 N ATOM 169 CA ASP C1908 -5.460 0.108 11.395 1.00 0.26 C ATOM 170 C ASP C1908 -4.088 -0.288 11.946 1.00 0.27 C ATOM 171 O ASP C1908 -3.308 0.571 12.364 1.00 0.34 O ATOM 172 CB ASP C1908 -6.529 -0.120 12.470 1.00 0.33 C ATOM 173 CG ASP C1908 -6.187 0.574 13.780 1.00 0.44 C ATOM 174 OD1 ASP C1908 -6.358 1.810 13.872 1.00 0.58 O ATOM 175 OD2 ASP C1908 -5.745 -0.109 14.725 1.00 0.68 O ATOM 0 H ASP C1908 -6.665 -1.136 10.196 1.00 0.24 H new ATOM 0 HA ASP C1908 -5.442 1.166 11.133 1.00 0.26 H new ATOM 0 HB2 ASP C1908 -7.490 0.246 12.107 1.00 0.33 H new ATOM 0 HB3 ASP C1908 -6.641 -1.190 12.647 1.00 0.33 H new ATOM 180 N ALA C1909 -3.793 -1.586 11.925 1.00 0.23 N ATOM 181 CA ALA C1909 -2.519 -2.095 12.429 1.00 0.24 C ATOM 182 C ALA C1909 -1.344 -1.534 11.625 1.00 0.22 C ATOM 183 O ALA C1909 -0.495 -0.819 12.168 1.00 0.24 O ATOM 184 CB ALA C1909 -2.506 -3.615 12.401 1.00 0.27 C ATOM 0 H ALA C1909 -4.420 -2.305 11.564 1.00 0.23 H new ATOM 0 HA ALA C1909 -2.408 -1.764 13.462 1.00 0.24 H new ATOM 0 HB1 ALA C1909 -1.550 -3.978 12.779 1.00 0.27 H new ATOM 0 HB2 ALA C1909 -3.313 -3.997 13.026 1.00 0.27 H new ATOM 0 HB3 ALA C1909 -2.646 -3.961 11.377 1.00 0.27 H new ATOM 190 N MET C1910 -1.303 -1.873 10.338 1.00 0.19 N ATOM 191 CA MET C1910 -0.321 -1.326 9.405 1.00 0.19 C ATOM 192 C MET C1910 -0.186 0.195 9.501 1.00 0.19 C ATOM 193 O MET C1910 0.910 0.716 9.420 1.00 0.22 O ATOM 194 CB MET C1910 -0.700 -1.728 7.978 1.00 0.18 C ATOM 195 CG MET C1910 -0.052 -0.884 6.889 1.00 0.20 C ATOM 196 SD MET C1910 -0.459 -1.490 5.253 1.00 0.20 S ATOM 197 CE MET C1910 0.179 -3.151 5.380 1.00 0.14 C ATOM 0 H MET C1910 -1.951 -2.536 9.912 1.00 0.19 H new ATOM 0 HA MET C1910 0.649 -1.743 9.675 1.00 0.19 H new ATOM 0 HB2 MET C1910 -0.425 -2.771 7.823 1.00 0.18 H new ATOM 0 HB3 MET C1910 -1.783 -1.665 7.872 1.00 0.18 H new ATOM 0 HG2 MET C1910 -0.381 0.151 6.986 1.00 0.20 H new ATOM 0 HG3 MET C1910 1.030 -0.888 7.020 1.00 0.20 H new ATOM 0 HE1 MET C1910 0.139 -3.632 4.403 1.00 0.14 H new ATOM 0 HE2 MET C1910 1.212 -3.119 5.727 1.00 0.14 H new ATOM 0 HE3 MET C1910 -0.424 -3.719 6.088 1.00 0.14 H new ATOM 207 N ASN C1911 -1.285 0.900 9.686 1.00 0.21 N ATOM 208 CA ASN C1911 -1.268 2.367 9.695 1.00 0.22 C ATOM 209 C ASN C1911 -0.432 2.924 10.840 1.00 0.23 C ATOM 210 O ASN C1911 0.238 3.947 10.693 1.00 0.27 O ATOM 211 CB ASN C1911 -2.690 2.890 9.809 1.00 0.24 C ATOM 212 CG ASN C1911 -2.774 4.383 9.623 1.00 0.25 C ATOM 213 OD1 ASN C1911 -2.923 4.797 8.381 1.00 0.42 O flip ATOM 214 ND2 ASN C1911 -2.706 5.153 10.578 1.00 0.25 N flip ATOM 0 H ASN C1911 -2.207 0.489 9.833 1.00 0.21 H new ATOM 0 HA ASN C1911 -0.814 2.697 8.761 1.00 0.22 H new ATOM 0 HB2 ASN C1911 -3.315 2.399 9.063 1.00 0.24 H new ATOM 0 HB3 ASN C1911 -3.093 2.626 10.787 1.00 0.24 H new ATOM 0 HD21 ASN C1911 -2.590 4.785 11.522 1.00 0.25 H new ATOM 0 HD22 ASN C1911 -2.765 6.160 10.426 1.00 0.25 H new ATOM 221 N ARG C1912 -0.462 2.264 11.977 1.00 0.23 N ATOM 222 CA ARG C1912 0.276 2.724 13.121 1.00 0.26 C ATOM 223 C ARG C1912 1.762 2.634 12.857 1.00 0.28 C ATOM 224 O ARG C1912 2.497 3.614 12.994 1.00 0.38 O ATOM 225 CB ARG C1912 -0.102 1.884 14.320 1.00 0.30 C ATOM 226 CG ARG C1912 -1.593 1.895 14.611 1.00 0.75 C ATOM 227 CD ARG C1912 -2.174 3.297 14.513 1.00 1.46 C ATOM 228 NE ARG C1912 -3.635 3.277 14.491 1.00 2.17 N ATOM 229 CZ ARG C1912 -4.405 4.323 14.785 1.00 2.91 C ATOM 230 NH1 ARG C1912 -3.868 5.462 15.208 1.00 3.13 N ATOM 231 NH2 ARG C1912 -5.719 4.217 14.669 1.00 3.76 N ATOM 0 H ARG C1912 -0.992 1.406 12.129 1.00 0.23 H new ATOM 0 HA ARG C1912 0.031 3.768 13.319 1.00 0.26 H new ATOM 0 HB2 ARG C1912 0.222 0.857 14.153 1.00 0.30 H new ATOM 0 HB3 ARG C1912 0.435 2.249 15.195 1.00 0.30 H new ATOM 0 HG2 ARG C1912 -2.106 1.238 13.908 1.00 0.75 H new ATOM 0 HG3 ARG C1912 -1.772 1.496 15.609 1.00 0.75 H new ATOM 0 HD2 ARG C1912 -1.831 3.893 15.359 1.00 1.46 H new ATOM 0 HD3 ARG C1912 -1.803 3.782 13.610 1.00 1.46 H new ATOM 0 HE ARG C1912 -4.096 2.404 14.233 1.00 2.17 H new ATOM 0 HH11 ARG C1912 -2.856 5.542 15.310 1.00 3.13 H new ATOM 0 HH12 ARG C1912 -4.467 6.257 15.430 1.00 3.13 H new ATOM 0 HH21 ARG C1912 -6.134 3.339 14.357 1.00 3.76 H new ATOM 0 HH22 ARG C1912 -6.317 5.013 14.892 1.00 3.76 H new ATOM 245 N GLU C1913 2.189 1.459 12.452 1.00 0.23 N ATOM 246 CA GLU C1913 3.574 1.240 12.111 1.00 0.25 C ATOM 247 C GLU C1913 3.948 2.004 10.846 1.00 0.22 C ATOM 248 O GLU C1913 5.059 2.480 10.737 1.00 0.27 O ATOM 249 CB GLU C1913 3.842 -0.250 11.936 1.00 0.29 C ATOM 250 CG GLU C1913 2.868 -0.926 10.992 1.00 0.29 C ATOM 251 CD GLU C1913 3.088 -2.418 10.909 1.00 0.39 C ATOM 252 OE1 GLU C1913 2.814 -3.116 11.908 1.00 0.79 O ATOM 253 OE2 GLU C1913 3.539 -2.898 9.853 1.00 0.57 O ATOM 0 H GLU C1913 1.593 0.638 12.351 1.00 0.23 H new ATOM 0 HA GLU C1913 4.194 1.614 12.926 1.00 0.25 H new ATOM 0 HB2 GLU C1913 4.856 -0.388 11.561 1.00 0.29 H new ATOM 0 HB3 GLU C1913 3.792 -0.738 12.909 1.00 0.29 H new ATOM 0 HG2 GLU C1913 1.849 -0.730 11.324 1.00 0.29 H new ATOM 0 HG3 GLU C1913 2.968 -0.491 9.998 1.00 0.29 H new ATOM 260 N VAL C1914 3.001 2.147 9.917 1.00 0.19 N ATOM 261 CA VAL C1914 3.268 2.769 8.616 1.00 0.20 C ATOM 262 C VAL C1914 3.652 4.230 8.768 1.00 0.18 C ATOM 263 O VAL C1914 4.486 4.743 8.023 1.00 0.20 O ATOM 264 CB VAL C1914 2.047 2.669 7.655 1.00 0.24 C ATOM 265 CG1 VAL C1914 1.053 3.793 7.877 1.00 0.26 C ATOM 266 CG2 VAL C1914 2.489 2.668 6.211 1.00 0.29 C ATOM 0 H VAL C1914 2.037 1.839 10.041 1.00 0.19 H new ATOM 0 HA VAL C1914 4.101 2.215 8.184 1.00 0.20 H new ATOM 0 HB VAL C1914 1.552 1.724 7.881 1.00 0.24 H new ATOM 0 HG11 VAL C1914 0.218 3.682 7.185 1.00 0.26 H new ATOM 0 HG12 VAL C1914 0.683 3.754 8.901 1.00 0.26 H new ATOM 0 HG13 VAL C1914 1.543 4.751 7.704 1.00 0.26 H new ATOM 0 HG21 VAL C1914 1.615 2.597 5.563 1.00 0.29 H new ATOM 0 HG22 VAL C1914 3.027 3.591 5.995 1.00 0.29 H new ATOM 0 HG23 VAL C1914 3.144 1.815 6.032 1.00 0.29 H new ATOM 276 N SER C1915 3.051 4.895 9.735 1.00 0.21 N ATOM 277 CA SER C1915 3.291 6.301 9.934 1.00 0.28 C ATOM 278 C SER C1915 4.699 6.502 10.478 1.00 0.28 C ATOM 279 O SER C1915 5.349 7.510 10.208 1.00 0.36 O ATOM 280 CB SER C1915 2.234 6.870 10.864 1.00 0.36 C ATOM 281 OG SER C1915 2.255 8.288 10.873 1.00 1.31 O ATOM 0 H SER C1915 2.393 4.479 10.394 1.00 0.21 H new ATOM 0 HA SER C1915 3.220 6.836 8.987 1.00 0.28 H new ATOM 0 HB2 SER C1915 1.249 6.522 10.552 1.00 0.36 H new ATOM 0 HB3 SER C1915 2.399 6.497 11.875 1.00 0.36 H new ATOM 0 HG SER C1915 1.562 8.622 11.480 1.00 1.31 H new ATOM 287 N SER C1916 5.171 5.518 11.225 1.00 0.25 N ATOM 288 CA SER C1916 6.562 5.489 11.644 1.00 0.27 C ATOM 289 C SER C1916 7.432 4.899 10.527 1.00 0.27 C ATOM 290 O SER C1916 8.568 5.316 10.321 1.00 0.29 O ATOM 291 CB SER C1916 6.707 4.671 12.930 1.00 0.31 C ATOM 292 OG SER C1916 8.031 4.725 13.431 1.00 1.04 O ATOM 0 H SER C1916 4.613 4.730 11.553 1.00 0.25 H new ATOM 0 HA SER C1916 6.896 6.507 11.844 1.00 0.27 H new ATOM 0 HB2 SER C1916 6.016 5.049 13.683 1.00 0.31 H new ATOM 0 HB3 SER C1916 6.432 3.634 12.736 1.00 0.31 H new ATOM 0 HG SER C1916 8.092 4.195 14.253 1.00 1.04 H new ATOM 298 N LEU C1917 6.863 3.942 9.802 1.00 0.30 N ATOM 299 CA LEU C1917 7.538 3.228 8.724 1.00 0.30 C ATOM 300 C LEU C1917 7.977 4.188 7.634 1.00 0.26 C ATOM 301 O LEU C1917 9.160 4.277 7.315 1.00 0.26 O ATOM 302 CB LEU C1917 6.587 2.168 8.145 1.00 0.42 C ATOM 303 CG LEU C1917 7.211 1.042 7.307 1.00 0.57 C ATOM 304 CD1 LEU C1917 7.507 1.491 5.896 1.00 1.25 C ATOM 305 CD2 LEU C1917 8.470 0.533 7.954 1.00 1.16 C ATOM 0 H LEU C1917 5.902 3.635 9.950 1.00 0.30 H new ATOM 0 HA LEU C1917 8.428 2.742 9.124 1.00 0.30 H new ATOM 0 HB2 LEU C1917 6.047 1.711 8.974 1.00 0.42 H new ATOM 0 HB3 LEU C1917 5.849 2.679 7.527 1.00 0.42 H new ATOM 0 HG LEU C1917 6.480 0.235 7.259 1.00 0.57 H new ATOM 0 HD11 LEU C1917 7.947 0.666 5.336 1.00 1.25 H new ATOM 0 HD12 LEU C1917 6.582 1.805 5.412 1.00 1.25 H new ATOM 0 HD13 LEU C1917 8.206 2.327 5.919 1.00 1.25 H new ATOM 0 HD21 LEU C1917 8.896 -0.264 7.344 1.00 1.16 H new ATOM 0 HD22 LEU C1917 9.189 1.347 8.041 1.00 1.16 H new ATOM 0 HD23 LEU C1917 8.238 0.146 8.946 1.00 1.16 H new ATOM 317 N LYS C1918 7.026 4.928 7.081 1.00 0.28 N ATOM 318 CA LYS C1918 7.336 5.845 6.001 1.00 0.29 C ATOM 319 C LYS C1918 8.249 6.966 6.514 1.00 0.32 C ATOM 320 O LYS C1918 8.919 7.649 5.745 1.00 0.38 O ATOM 321 CB LYS C1918 6.047 6.390 5.350 1.00 0.39 C ATOM 322 CG LYS C1918 5.727 7.837 5.654 1.00 0.29 C ATOM 323 CD LYS C1918 5.117 7.999 7.039 1.00 0.40 C ATOM 324 CE LYS C1918 5.173 9.444 7.487 1.00 0.69 C ATOM 325 NZ LYS C1918 4.488 9.660 8.789 1.00 1.36 N ATOM 0 H LYS C1918 6.045 4.910 7.360 1.00 0.28 H new ATOM 0 HA LYS C1918 7.875 5.309 5.220 1.00 0.29 H new ATOM 0 HB2 LYS C1918 6.129 6.273 4.269 1.00 0.39 H new ATOM 0 HB3 LYS C1918 5.208 5.774 5.675 1.00 0.39 H new ATOM 0 HG2 LYS C1918 6.637 8.433 5.585 1.00 0.29 H new ATOM 0 HG3 LYS C1918 5.036 8.222 4.904 1.00 0.29 H new ATOM 0 HD2 LYS C1918 4.082 7.657 7.027 1.00 0.40 H new ATOM 0 HD3 LYS C1918 5.652 7.372 7.752 1.00 0.40 H new ATOM 0 HE2 LYS C1918 6.214 9.756 7.571 1.00 0.69 H new ATOM 0 HE3 LYS C1918 4.712 10.075 6.728 1.00 0.69 H new ATOM 0 HZ1 LYS C1918 4.943 10.447 9.295 1.00 1.36 H new ATOM 0 HZ2 LYS C1918 3.488 9.889 8.621 1.00 1.36 H new ATOM 0 HZ3 LYS C1918 4.553 8.795 9.363 1.00 1.36 H new ATOM 339 N ASN C1919 8.293 7.098 7.837 1.00 0.31 N ATOM 340 CA ASN C1919 9.122 8.091 8.507 1.00 0.33 C ATOM 341 C ASN C1919 10.572 7.612 8.608 1.00 0.32 C ATOM 342 O ASN C1919 11.498 8.417 8.597 1.00 0.41 O ATOM 343 CB ASN C1919 8.554 8.371 9.908 1.00 0.37 C ATOM 344 CG ASN C1919 9.391 9.327 10.745 1.00 0.43 C ATOM 345 OD1 ASN C1919 9.500 9.161 11.960 1.00 1.05 O ATOM 346 ND2 ASN C1919 9.954 10.351 10.128 1.00 1.15 N ATOM 0 H ASN C1919 7.751 6.516 8.476 1.00 0.31 H new ATOM 0 HA ASN C1919 9.112 9.010 7.922 1.00 0.33 H new ATOM 0 HB2 ASN C1919 7.550 8.782 9.804 1.00 0.37 H new ATOM 0 HB3 ASN C1919 8.458 7.427 10.444 1.00 0.37 H new ATOM 0 HD21 ASN C1919 10.497 11.031 10.660 1.00 1.15 H new ATOM 0 HD22 ASN C1919 9.846 10.461 9.120 1.00 1.15 H new ATOM 353 N LYS C1920 10.778 6.296 8.678 1.00 0.28 N ATOM 354 CA LYS C1920 12.111 5.758 8.830 1.00 0.37 C ATOM 355 C LYS C1920 12.702 5.466 7.475 1.00 0.41 C ATOM 356 O LYS C1920 13.907 5.281 7.336 1.00 0.53 O ATOM 357 CB LYS C1920 12.160 4.525 9.751 1.00 0.48 C ATOM 358 CG LYS C1920 10.970 3.571 9.691 1.00 0.33 C ATOM 359 CD LYS C1920 11.183 2.426 10.670 1.00 0.44 C ATOM 360 CE LYS C1920 9.987 1.497 10.736 1.00 1.36 C ATOM 361 NZ LYS C1920 10.251 0.318 11.603 1.00 1.64 N ATOM 0 H LYS C1920 10.038 5.595 8.631 1.00 0.28 H new ATOM 0 HA LYS C1920 12.718 6.516 9.325 1.00 0.37 H new ATOM 0 HB2 LYS C1920 13.061 3.959 9.513 1.00 0.48 H new ATOM 0 HB3 LYS C1920 12.264 4.873 10.779 1.00 0.48 H new ATOM 0 HG2 LYS C1920 10.051 4.104 9.934 1.00 0.33 H new ATOM 0 HG3 LYS C1920 10.854 3.181 8.680 1.00 0.33 H new ATOM 0 HD2 LYS C1920 12.066 1.858 10.376 1.00 0.44 H new ATOM 0 HD3 LYS C1920 11.381 2.831 11.662 1.00 0.44 H new ATOM 0 HE2 LYS C1920 9.124 2.042 11.117 1.00 1.36 H new ATOM 0 HE3 LYS C1920 9.733 1.160 9.731 1.00 1.36 H new ATOM 0 HZ1 LYS C1920 9.410 -0.294 11.623 1.00 1.64 H new ATOM 0 HZ2 LYS C1920 11.059 -0.217 11.225 1.00 1.64 H new ATOM 0 HZ3 LYS C1920 10.469 0.639 12.568 1.00 1.64 H new ATOM 375 N LEU C1921 11.853 5.429 6.466 1.00 0.38 N ATOM 376 CA LEU C1921 12.331 5.275 5.111 1.00 0.46 C ATOM 377 C LEU C1921 12.657 6.645 4.534 1.00 0.59 C ATOM 378 O LEU C1921 13.496 6.785 3.655 1.00 0.92 O ATOM 379 CB LEU C1921 11.308 4.556 4.223 1.00 0.44 C ATOM 380 CG LEU C1921 10.602 3.330 4.827 1.00 0.38 C ATOM 381 CD1 LEU C1921 10.022 2.475 3.723 1.00 0.40 C ATOM 382 CD2 LEU C1921 11.524 2.492 5.694 1.00 0.48 C ATOM 0 H LEU C1921 10.840 5.503 6.559 1.00 0.38 H new ATOM 0 HA LEU C1921 13.229 4.658 5.134 1.00 0.46 H new ATOM 0 HB2 LEU C1921 10.545 5.278 3.932 1.00 0.44 H new ATOM 0 HB3 LEU C1921 11.813 4.241 3.310 1.00 0.44 H new ATOM 0 HG LEU C1921 9.806 3.704 5.470 1.00 0.38 H new ATOM 0 HD11 LEU C1921 9.524 1.609 4.158 1.00 0.40 H new ATOM 0 HD12 LEU C1921 9.301 3.059 3.151 1.00 0.40 H new ATOM 0 HD13 LEU C1921 10.823 2.140 3.064 1.00 0.40 H new ATOM 0 HD21 LEU C1921 10.973 1.641 6.094 1.00 0.48 H new ATOM 0 HD22 LEU C1921 12.361 2.134 5.095 1.00 0.48 H new ATOM 0 HD23 LEU C1921 11.901 3.099 6.517 1.00 0.48 H new ATOM 394 N ARG C1922 11.992 7.659 5.046 1.00 0.49 N ATOM 395 CA ARG C1922 12.231 9.020 4.604 1.00 0.66 C ATOM 396 C ARG C1922 13.108 9.763 5.615 1.00 0.65 C ATOM 397 O ARG C1922 13.380 10.953 5.463 1.00 0.78 O ATOM 398 CB ARG C1922 10.893 9.725 4.380 1.00 0.87 C ATOM 399 CG ARG C1922 10.919 10.898 3.399 1.00 1.15 C ATOM 400 CD ARG C1922 11.986 10.760 2.314 1.00 1.07 C ATOM 401 NE ARG C1922 13.317 11.118 2.811 1.00 1.64 N ATOM 402 CZ ARG C1922 14.294 11.640 2.073 1.00 2.45 C ATOM 403 NH1 ARG C1922 14.112 11.883 0.784 1.00 2.92 N ATOM 404 NH2 ARG C1922 15.462 11.924 2.634 1.00 3.23 N ATOM 0 H ARG C1922 11.280 7.568 5.770 1.00 0.49 H new ATOM 0 HA ARG C1922 12.771 9.010 3.657 1.00 0.66 H new ATOM 0 HB2 ARG C1922 10.172 8.991 4.021 1.00 0.87 H new ATOM 0 HB3 ARG C1922 10.528 10.087 5.341 1.00 0.87 H new ATOM 0 HG2 ARG C1922 9.941 10.988 2.927 1.00 1.15 H new ATOM 0 HG3 ARG C1922 11.092 11.821 3.953 1.00 1.15 H new ATOM 0 HD2 ARG C1922 11.999 9.734 1.946 1.00 1.07 H new ATOM 0 HD3 ARG C1922 11.730 11.399 1.469 1.00 1.07 H new ATOM 0 HE ARG C1922 13.510 10.955 3.799 1.00 1.64 H new ATOM 0 HH11 ARG C1922 13.216 11.670 0.346 1.00 2.92 H new ATOM 0 HH12 ARG C1922 14.868 12.283 0.229 1.00 2.92 H new ATOM 0 HH21 ARG C1922 15.608 11.742 3.627 1.00 3.23 H new ATOM 0 HH22 ARG C1922 16.214 12.324 2.072 1.00 3.23 H new ATOM 461 N LEU C1926 18.137 5.446 4.998 1.00 0.64 N ATOM 462 CA LEU C1926 17.990 4.504 3.903 1.00 0.60 C ATOM 463 C LEU C1926 17.854 5.228 2.563 1.00 0.54 C ATOM 464 O LEU C1926 17.444 6.391 2.510 1.00 0.72 O ATOM 465 CB LEU C1926 16.856 3.487 4.173 1.00 0.93 C ATOM 466 CG LEU C1926 15.388 3.957 4.203 1.00 0.48 C ATOM 467 CD1 LEU C1926 14.888 4.350 2.817 1.00 0.56 C ATOM 468 CD2 LEU C1926 14.558 2.818 4.730 1.00 0.57 C ATOM 0 HA LEU C1926 18.904 3.914 3.837 1.00 0.60 H new ATOM 0 HB2 LEU C1926 16.931 2.709 3.414 1.00 0.93 H new ATOM 0 HB3 LEU C1926 17.065 3.016 5.134 1.00 0.93 H new ATOM 0 HG LEU C1926 15.308 4.840 4.838 1.00 0.48 H new ATOM 0 HD11 LEU C1926 13.850 4.675 2.883 1.00 0.56 H new ATOM 0 HD12 LEU C1926 15.499 5.164 2.427 1.00 0.56 H new ATOM 0 HD13 LEU C1926 14.958 3.492 2.148 1.00 0.56 H new ATOM 0 HD21 LEU C1926 13.510 3.117 4.765 1.00 0.57 H new ATOM 0 HD22 LEU C1926 14.667 1.954 4.074 1.00 0.57 H new ATOM 0 HD23 LEU C1926 14.894 2.557 5.733 1.00 0.57 H new ATOM 480 N PRO C1927 18.219 4.547 1.462 1.00 0.46 N ATOM 481 CA PRO C1927 18.353 5.171 0.140 1.00 0.55 C ATOM 482 C PRO C1927 17.029 5.525 -0.526 1.00 0.63 C ATOM 483 O PRO C1927 16.811 6.674 -0.913 1.00 1.12 O ATOM 484 CB PRO C1927 19.064 4.093 -0.680 1.00 0.54 C ATOM 485 CG PRO C1927 18.640 2.815 -0.049 1.00 0.44 C ATOM 486 CD PRO C1927 18.540 3.106 1.419 1.00 0.41 C ATOM 0 HA PRO C1927 18.878 6.123 0.217 1.00 0.55 H new ATOM 0 HB2 PRO C1927 18.773 4.135 -1.730 1.00 0.54 H new ATOM 0 HB3 PRO C1927 20.147 4.215 -0.644 1.00 0.54 H new ATOM 0 HG2 PRO C1927 17.683 2.479 -0.448 1.00 0.44 H new ATOM 0 HG3 PRO C1927 19.363 2.023 -0.244 1.00 0.44 H new ATOM 0 HD2 PRO C1927 17.764 2.507 1.895 1.00 0.41 H new ATOM 0 HD3 PRO C1927 19.474 2.887 1.936 1.00 0.41 H new ATOM 494 N PHE C1928 16.148 4.538 -0.643 1.00 0.30 N ATOM 495 CA PHE C1928 14.999 4.654 -1.519 1.00 0.27 C ATOM 496 C PHE C1928 13.963 5.590 -0.935 1.00 0.27 C ATOM 497 O PHE C1928 13.621 5.502 0.244 1.00 0.31 O ATOM 498 CB PHE C1928 14.425 3.263 -1.826 1.00 0.24 C ATOM 499 CG PHE C1928 13.123 2.922 -1.179 1.00 0.23 C ATOM 500 CD1 PHE C1928 11.961 3.611 -1.473 1.00 0.30 C ATOM 501 CD2 PHE C1928 13.072 1.896 -0.278 1.00 0.26 C ATOM 502 CE1 PHE C1928 10.785 3.277 -0.871 1.00 0.33 C ATOM 503 CE2 PHE C1928 11.895 1.550 0.328 1.00 0.29 C ATOM 504 CZ PHE C1928 10.754 2.244 0.032 1.00 0.27 C ATOM 0 H PHE C1928 16.211 3.652 -0.141 1.00 0.30 H new ATOM 0 HA PHE C1928 15.317 5.093 -2.465 1.00 0.27 H new ATOM 0 HB2 PHE C1928 14.303 3.175 -2.906 1.00 0.24 H new ATOM 0 HB3 PHE C1928 15.161 2.517 -1.526 1.00 0.24 H new ATOM 0 HD1 PHE C1928 11.986 4.421 -2.186 1.00 0.30 H new ATOM 0 HD2 PHE C1928 13.973 1.350 -0.041 1.00 0.26 H new ATOM 0 HE1 PHE C1928 9.882 3.822 -1.103 1.00 0.33 H new ATOM 0 HE2 PHE C1928 11.867 0.734 1.035 1.00 0.29 H new ATOM 0 HZ PHE C1928 9.824 1.978 0.512 1.00 0.27 H new ATOM 514 N VAL C1929 13.456 6.466 -1.788 1.00 0.25 N ATOM 515 CA VAL C1929 12.551 7.524 -1.390 1.00 0.25 C ATOM 516 C VAL C1929 11.753 8.010 -2.582 1.00 0.25 C ATOM 517 O VAL C1929 12.188 7.874 -3.728 1.00 0.27 O ATOM 518 CB VAL C1929 13.331 8.711 -0.818 1.00 0.29 C ATOM 519 CG1 VAL C1929 13.918 8.349 0.522 1.00 0.62 C ATOM 520 CG2 VAL C1929 14.426 9.094 -1.790 1.00 0.62 C ATOM 0 H VAL C1929 13.666 6.459 -2.786 1.00 0.25 H new ATOM 0 HA VAL C1929 11.881 7.121 -0.631 1.00 0.25 H new ATOM 0 HB VAL C1929 12.660 9.558 -0.677 1.00 0.29 H new ATOM 0 HG11 VAL C1929 14.470 9.201 0.919 1.00 0.62 H new ATOM 0 HG12 VAL C1929 13.116 8.083 1.211 1.00 0.62 H new ATOM 0 HG13 VAL C1929 14.593 7.501 0.406 1.00 0.62 H new ATOM 0 HG21 VAL C1929 14.987 9.939 -1.391 1.00 0.62 H new ATOM 0 HG22 VAL C1929 15.098 8.248 -1.934 1.00 0.62 H new ATOM 0 HG23 VAL C1929 13.983 9.372 -2.746 1.00 0.62 H new ATOM 530 N VAL C1930 10.599 8.588 -2.320 1.00 0.26 N ATOM 531 CA VAL C1930 9.776 9.112 -3.390 1.00 0.26 C ATOM 532 C VAL C1930 10.326 10.445 -3.892 1.00 0.29 C ATOM 533 O VAL C1930 10.571 11.366 -3.111 1.00 0.32 O ATOM 534 CB VAL C1930 8.317 9.324 -2.959 1.00 0.28 C ATOM 535 CG1 VAL C1930 7.473 9.745 -4.151 1.00 0.34 C ATOM 536 CG2 VAL C1930 7.757 8.072 -2.318 1.00 0.32 C ATOM 0 H VAL C1930 10.212 8.706 -1.384 1.00 0.26 H new ATOM 0 HA VAL C1930 9.800 8.366 -4.184 1.00 0.26 H new ATOM 0 HB VAL C1930 8.288 10.121 -2.216 1.00 0.28 H new ATOM 0 HG11 VAL C1930 6.441 9.892 -3.832 1.00 0.34 H new ATOM 0 HG12 VAL C1930 7.862 10.677 -4.562 1.00 0.34 H new ATOM 0 HG13 VAL C1930 7.510 8.969 -4.915 1.00 0.34 H new ATOM 0 HG21 VAL C1930 6.723 8.247 -2.021 1.00 0.32 H new ATOM 0 HG22 VAL C1930 7.796 7.249 -3.032 1.00 0.32 H new ATOM 0 HG23 VAL C1930 8.349 7.817 -1.439 1.00 0.32 H new ATOM 546 N PRO C1931 10.544 10.541 -5.201 1.00 0.34 N ATOM 547 CA PRO C1931 10.929 11.783 -5.865 1.00 0.42 C ATOM 548 C PRO C1931 9.748 12.741 -5.973 1.00 0.45 C ATOM 549 O PRO C1931 8.627 12.388 -5.613 1.00 0.45 O ATOM 550 CB PRO C1931 11.368 11.319 -7.253 1.00 0.56 C ATOM 551 CG PRO C1931 10.590 10.075 -7.491 1.00 0.48 C ATOM 552 CD PRO C1931 10.432 9.420 -6.144 1.00 0.36 C ATOM 0 HA PRO C1931 11.704 12.326 -5.324 1.00 0.42 H new ATOM 0 HB2 PRO C1931 11.153 12.073 -8.010 1.00 0.56 H new ATOM 0 HB3 PRO C1931 12.441 11.129 -7.288 1.00 0.56 H new ATOM 0 HG2 PRO C1931 9.619 10.300 -7.932 1.00 0.48 H new ATOM 0 HG3 PRO C1931 11.110 9.416 -8.186 1.00 0.48 H new ATOM 0 HD2 PRO C1931 9.470 8.915 -6.054 1.00 0.36 H new ATOM 0 HD3 PRO C1931 11.204 8.670 -5.969 1.00 0.36 H new ATOM 560 N ARG C1932 9.999 13.961 -6.425 1.00 0.54 N ATOM 561 CA ARG C1932 8.910 14.900 -6.667 1.00 0.70 C ATOM 562 C ARG C1932 7.987 14.329 -7.735 1.00 0.89 C ATOM 563 O ARG C1932 8.413 14.117 -8.875 1.00 1.79 O ATOM 564 CB ARG C1932 9.430 16.282 -7.092 1.00 0.83 C ATOM 565 CG ARG C1932 10.150 17.039 -5.984 1.00 1.53 C ATOM 566 CD ARG C1932 11.527 16.460 -5.714 1.00 2.00 C ATOM 567 NE ARG C1932 12.103 16.949 -4.466 1.00 2.79 N ATOM 568 CZ ARG C1932 13.024 16.284 -3.772 1.00 3.62 C ATOM 569 NH1 ARG C1932 13.509 15.138 -4.236 1.00 3.88 N ATOM 570 NH2 ARG C1932 13.469 16.772 -2.623 1.00 4.56 N ATOM 0 H ARG C1932 10.931 14.321 -6.629 1.00 0.54 H new ATOM 0 HA ARG C1932 8.361 15.037 -5.736 1.00 0.70 H new ATOM 0 HB2 ARG C1932 10.109 16.160 -7.936 1.00 0.83 H new ATOM 0 HB3 ARG C1932 8.591 16.883 -7.443 1.00 0.83 H new ATOM 0 HG2 ARG C1932 10.244 18.089 -6.262 1.00 1.53 H new ATOM 0 HG3 ARG C1932 9.554 17.003 -5.072 1.00 1.53 H new ATOM 0 HD2 ARG C1932 11.460 15.373 -5.678 1.00 2.00 H new ATOM 0 HD3 ARG C1932 12.192 16.711 -6.540 1.00 2.00 H new ATOM 0 HE ARG C1932 11.783 17.848 -4.106 1.00 2.79 H new ATOM 0 HH11 ARG C1932 13.176 14.766 -5.125 1.00 3.88 H new ATOM 0 HH12 ARG C1932 14.215 14.630 -3.703 1.00 3.88 H new ATOM 0 HH21 ARG C1932 13.106 17.657 -2.270 1.00 4.56 H new ATOM 0 HH22 ARG C1932 14.175 16.262 -2.092 1.00 4.56 H new ATOM 584 N ARG C1933 6.735 14.063 -7.346 1.00 0.74 N ATOM 585 CA ARG C1933 5.777 13.375 -8.205 1.00 0.76 C ATOM 586 C ARG C1933 6.227 11.930 -8.406 1.00 0.65 C ATOM 587 O ARG C1933 7.168 11.470 -7.766 1.00 0.69 O ATOM 588 CB ARG C1933 5.653 14.104 -9.554 1.00 0.95 C ATOM 589 CG ARG C1933 4.444 13.700 -10.374 1.00 1.66 C ATOM 590 CD ARG C1933 4.636 14.028 -11.842 1.00 1.80 C ATOM 591 NE ARG C1933 3.453 13.691 -12.630 1.00 2.56 N ATOM 592 CZ ARG C1933 3.454 12.848 -13.666 1.00 2.86 C ATOM 593 NH1 ARG C1933 4.574 12.221 -14.027 1.00 2.53 N ATOM 594 NH2 ARG C1933 2.333 12.633 -14.341 1.00 3.92 N ATOM 0 H ARG C1933 6.363 14.319 -6.431 1.00 0.74 H new ATOM 0 HA ARG C1933 4.795 13.376 -7.732 1.00 0.76 H new ATOM 0 HB2 ARG C1933 5.610 15.178 -9.371 1.00 0.95 H new ATOM 0 HB3 ARG C1933 6.553 13.916 -10.139 1.00 0.95 H new ATOM 0 HG2 ARG C1933 4.265 12.631 -10.259 1.00 1.66 H new ATOM 0 HG3 ARG C1933 3.559 14.213 -9.998 1.00 1.66 H new ATOM 0 HD2 ARG C1933 4.856 15.090 -11.952 1.00 1.80 H new ATOM 0 HD3 ARG C1933 5.497 13.482 -12.227 1.00 1.80 H new ATOM 0 HE ARG C1933 2.568 14.128 -12.372 1.00 2.56 H new ATOM 0 HH11 ARG C1933 5.439 12.384 -13.511 1.00 2.53 H new ATOM 0 HH12 ARG C1933 4.566 11.579 -14.819 1.00 2.53 H new ATOM 0 HH21 ARG C1933 1.474 13.111 -14.068 1.00 3.92 H new ATOM 0 HH22 ARG C1933 2.330 11.990 -15.133 1.00 3.92 H new ATOM 654 N ALA A 2 1.754 -1.738 -17.629 1.00 0.37 N ATOM 655 CA ALA A 2 2.445 -0.644 -16.969 1.00 0.33 C ATOM 656 C ALA A 2 3.414 -1.221 -15.950 1.00 0.30 C ATOM 657 O ALA A 2 3.402 -2.429 -15.720 1.00 0.39 O ATOM 658 CB ALA A 2 1.436 0.269 -16.291 1.00 0.33 C ATOM 0 HA ALA A 2 2.999 -0.056 -17.700 1.00 0.33 H new ATOM 0 HB1 ALA A 2 1.960 1.088 -15.798 1.00 0.33 H new ATOM 0 HB2 ALA A 2 0.752 0.673 -17.037 1.00 0.33 H new ATOM 0 HB3 ALA A 2 0.871 -0.298 -15.551 1.00 0.33 H new ATOM 664 N CYS A 3 4.252 -0.380 -15.355 1.00 0.29 N ATOM 665 CA CYS A 3 5.131 -0.815 -14.285 1.00 0.27 C ATOM 666 C CYS A 3 4.289 -1.227 -13.086 1.00 0.22 C ATOM 667 O CYS A 3 3.774 -0.380 -12.361 1.00 0.21 O ATOM 668 CB CYS A 3 6.103 0.299 -13.905 1.00 0.32 C ATOM 669 SG CYS A 3 7.118 0.887 -15.283 1.00 0.43 S ATOM 0 H CYS A 3 4.339 0.607 -15.598 1.00 0.29 H new ATOM 0 HA CYS A 3 5.719 -1.669 -14.622 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.538 1.138 -13.499 1.00 0.32 H new ATOM 0 HB3 CYS A 3 6.758 -0.059 -13.111 1.00 0.32 H new ATOM 0 HG CYS A 3 7.909 1.831 -14.867 1.00 0.43 H new ATOM 675 N PRO A 4 4.141 -2.540 -12.876 1.00 0.20 N ATOM 676 CA PRO A 4 3.165 -3.105 -11.932 1.00 0.18 C ATOM 677 C PRO A 4 3.277 -2.523 -10.529 1.00 0.16 C ATOM 678 O PRO A 4 2.347 -1.879 -10.041 1.00 0.16 O ATOM 679 CB PRO A 4 3.542 -4.584 -11.921 1.00 0.21 C ATOM 680 CG PRO A 4 4.134 -4.820 -13.260 1.00 0.24 C ATOM 681 CD PRO A 4 4.940 -3.593 -13.533 1.00 0.24 C ATOM 0 HA PRO A 4 2.138 -2.894 -12.231 1.00 0.18 H new ATOM 0 HB2 PRO A 4 4.254 -4.807 -11.126 1.00 0.21 H new ATOM 0 HB3 PRO A 4 2.670 -5.216 -11.755 1.00 0.21 H new ATOM 0 HG2 PRO A 4 4.757 -5.714 -13.267 1.00 0.24 H new ATOM 0 HG3 PRO A 4 3.362 -4.964 -14.016 1.00 0.24 H new ATOM 0 HD2 PRO A 4 5.943 -3.664 -13.113 1.00 0.24 H new ATOM 0 HD3 PRO A 4 5.054 -3.410 -14.602 1.00 0.24 H new ATOM 689 N LEU A 5 4.424 -2.724 -9.897 1.00 0.16 N ATOM 690 CA LEU A 5 4.628 -2.257 -8.535 1.00 0.17 C ATOM 691 C LEU A 5 4.705 -0.731 -8.505 1.00 0.19 C ATOM 692 O LEU A 5 4.246 -0.101 -7.558 1.00 0.24 O ATOM 693 CB LEU A 5 5.906 -2.875 -7.949 1.00 0.17 C ATOM 694 CG LEU A 5 5.857 -3.240 -6.453 1.00 0.18 C ATOM 695 CD1 LEU A 5 5.592 -2.019 -5.591 1.00 0.20 C ATOM 696 CD2 LEU A 5 4.812 -4.311 -6.192 1.00 0.20 C ATOM 0 H LEU A 5 5.225 -3.206 -10.305 1.00 0.16 H new ATOM 0 HA LEU A 5 3.781 -2.571 -7.924 1.00 0.17 H new ATOM 0 HB2 LEU A 5 6.142 -3.776 -8.515 1.00 0.17 H new ATOM 0 HB3 LEU A 5 6.728 -2.176 -8.105 1.00 0.17 H new ATOM 0 HG LEU A 5 6.835 -3.636 -6.181 1.00 0.18 H new ATOM 0 HD11 LEU A 5 5.564 -2.313 -4.542 1.00 0.20 H new ATOM 0 HD12 LEU A 5 6.386 -1.288 -5.742 1.00 0.20 H new ATOM 0 HD13 LEU A 5 4.635 -1.578 -5.870 1.00 0.20 H new ATOM 0 HD21 LEU A 5 4.796 -4.552 -5.129 1.00 0.20 H new ATOM 0 HD22 LEU A 5 3.832 -3.944 -6.496 1.00 0.20 H new ATOM 0 HD23 LEU A 5 5.058 -5.206 -6.763 1.00 0.20 H new ATOM 708 N GLU A 6 5.254 -0.134 -9.559 1.00 0.19 N ATOM 709 CA GLU A 6 5.426 1.311 -9.591 1.00 0.23 C ATOM 710 C GLU A 6 4.076 2.016 -9.640 1.00 0.21 C ATOM 711 O GLU A 6 3.857 3.017 -8.954 1.00 0.25 O ATOM 712 CB GLU A 6 6.295 1.748 -10.774 1.00 0.32 C ATOM 713 CG GLU A 6 6.646 3.229 -10.762 1.00 0.47 C ATOM 714 CD GLU A 6 7.711 3.590 -11.780 1.00 0.90 C ATOM 715 OE1 GLU A 6 7.392 3.675 -12.984 1.00 1.39 O ATOM 716 OE2 GLU A 6 8.874 3.805 -11.385 1.00 1.78 O ATOM 0 H GLU A 6 5.583 -0.623 -10.392 1.00 0.19 H new ATOM 0 HA GLU A 6 5.938 1.598 -8.673 1.00 0.23 H new ATOM 0 HB2 GLU A 6 7.216 1.165 -10.771 1.00 0.32 H new ATOM 0 HB3 GLU A 6 5.773 1.515 -11.702 1.00 0.32 H new ATOM 0 HG2 GLU A 6 5.747 3.812 -10.961 1.00 0.47 H new ATOM 0 HG3 GLU A 6 6.992 3.507 -9.767 1.00 0.47 H new ATOM 723 N LYS A 7 3.160 1.477 -10.438 1.00 0.18 N ATOM 724 CA LYS A 7 1.832 2.054 -10.556 1.00 0.20 C ATOM 725 C LYS A 7 1.062 1.902 -9.254 1.00 0.17 C ATOM 726 O LYS A 7 0.176 2.692 -8.975 1.00 0.19 O ATOM 727 CB LYS A 7 1.042 1.435 -11.717 1.00 0.26 C ATOM 728 CG LYS A 7 1.640 1.714 -13.089 1.00 0.41 C ATOM 729 CD LYS A 7 1.930 3.195 -13.300 1.00 0.90 C ATOM 730 CE LYS A 7 0.676 4.049 -13.192 1.00 0.83 C ATOM 731 NZ LYS A 7 -0.325 3.721 -14.239 1.00 1.16 N ATOM 0 H LYS A 7 3.315 0.646 -11.009 1.00 0.18 H new ATOM 0 HA LYS A 7 1.958 3.115 -10.769 1.00 0.20 H new ATOM 0 HB2 LYS A 7 0.984 0.357 -11.570 1.00 0.26 H new ATOM 0 HB3 LYS A 7 0.021 1.816 -11.692 1.00 0.26 H new ATOM 0 HG2 LYS A 7 2.562 1.145 -13.204 1.00 0.41 H new ATOM 0 HG3 LYS A 7 0.953 1.367 -13.860 1.00 0.41 H new ATOM 0 HD2 LYS A 7 2.659 3.529 -12.562 1.00 0.90 H new ATOM 0 HD3 LYS A 7 2.381 3.338 -14.282 1.00 0.90 H new ATOM 0 HE2 LYS A 7 0.228 3.909 -12.208 1.00 0.83 H new ATOM 0 HE3 LYS A 7 0.949 5.101 -13.271 1.00 0.83 H new ATOM 0 HZ1 LYS A 7 -1.115 4.395 -14.187 1.00 1.16 H new ATOM 0 HZ2 LYS A 7 0.121 3.781 -15.177 1.00 1.16 H new ATOM 0 HZ3 LYS A 7 -0.683 2.756 -14.087 1.00 1.16 H new ATOM 745 N ALA A 8 1.419 0.902 -8.456 1.00 0.18 N ATOM 746 CA ALA A 8 0.773 0.692 -7.164 1.00 0.19 C ATOM 747 C ALA A 8 0.835 1.953 -6.311 1.00 0.17 C ATOM 748 O ALA A 8 -0.196 2.456 -5.868 1.00 0.21 O ATOM 749 CB ALA A 8 1.406 -0.482 -6.430 1.00 0.20 C ATOM 0 H ALA A 8 2.149 0.226 -8.679 1.00 0.18 H new ATOM 0 HA ALA A 8 -0.276 0.458 -7.347 1.00 0.19 H new ATOM 0 HB1 ALA A 8 0.910 -0.621 -5.470 1.00 0.20 H new ATOM 0 HB2 ALA A 8 1.298 -1.386 -7.029 1.00 0.20 H new ATOM 0 HB3 ALA A 8 2.464 -0.280 -6.265 1.00 0.20 H new ATOM 755 N LEU A 9 2.038 2.479 -6.102 1.00 0.14 N ATOM 756 CA LEU A 9 2.194 3.692 -5.301 1.00 0.14 C ATOM 757 C LEU A 9 1.713 4.911 -6.083 1.00 0.13 C ATOM 758 O LEU A 9 1.185 5.864 -5.509 1.00 0.16 O ATOM 759 CB LEU A 9 3.652 3.908 -4.858 1.00 0.15 C ATOM 760 CG LEU A 9 4.333 2.730 -4.147 1.00 0.16 C ATOM 761 CD1 LEU A 9 3.380 2.063 -3.172 1.00 0.19 C ATOM 762 CD2 LEU A 9 4.868 1.717 -5.143 1.00 0.15 C ATOM 0 H LEU A 9 2.908 2.093 -6.469 1.00 0.14 H new ATOM 0 HA LEU A 9 1.585 3.565 -4.406 1.00 0.14 H new ATOM 0 HB2 LEU A 9 4.242 4.162 -5.738 1.00 0.15 H new ATOM 0 HB3 LEU A 9 3.682 4.771 -4.193 1.00 0.15 H new ATOM 0 HG LEU A 9 5.178 3.129 -3.586 1.00 0.16 H new ATOM 0 HD11 LEU A 9 3.885 1.231 -2.681 1.00 0.19 H new ATOM 0 HD12 LEU A 9 3.060 2.787 -2.423 1.00 0.19 H new ATOM 0 HD13 LEU A 9 2.509 1.691 -3.712 1.00 0.19 H new ATOM 0 HD21 LEU A 9 5.344 0.896 -4.607 1.00 0.15 H new ATOM 0 HD22 LEU A 9 4.046 1.329 -5.745 1.00 0.15 H new ATOM 0 HD23 LEU A 9 5.599 2.197 -5.794 1.00 0.15 H new ATOM 774 N ASP A 10 1.896 4.864 -7.400 1.00 0.14 N ATOM 775 CA ASP A 10 1.456 5.938 -8.289 1.00 0.15 C ATOM 776 C ASP A 10 -0.045 6.173 -8.168 1.00 0.15 C ATOM 777 O ASP A 10 -0.495 7.293 -7.929 1.00 0.18 O ATOM 778 CB ASP A 10 1.807 5.595 -9.741 1.00 0.19 C ATOM 779 CG ASP A 10 1.208 6.567 -10.743 1.00 0.48 C ATOM 780 OD1 ASP A 10 0.059 6.355 -11.174 1.00 1.19 O ATOM 781 OD2 ASP A 10 1.892 7.538 -11.123 1.00 1.18 O ATOM 0 H ASP A 10 2.350 4.087 -7.879 1.00 0.14 H new ATOM 0 HA ASP A 10 1.973 6.851 -7.994 1.00 0.15 H new ATOM 0 HB2 ASP A 10 2.891 5.587 -9.855 1.00 0.19 H new ATOM 0 HB3 ASP A 10 1.456 4.588 -9.966 1.00 0.19 H new ATOM 786 N VAL A 11 -0.815 5.107 -8.318 1.00 0.16 N ATOM 787 CA VAL A 11 -2.266 5.207 -8.323 1.00 0.18 C ATOM 788 C VAL A 11 -2.804 5.470 -6.924 1.00 0.18 C ATOM 789 O VAL A 11 -3.898 5.998 -6.765 1.00 0.23 O ATOM 790 CB VAL A 11 -2.920 3.941 -8.902 1.00 0.20 C ATOM 791 CG1 VAL A 11 -2.346 3.650 -10.274 1.00 0.23 C ATOM 792 CG2 VAL A 11 -2.741 2.748 -7.973 1.00 0.18 C ATOM 0 H VAL A 11 -0.458 4.159 -8.438 1.00 0.16 H new ATOM 0 HA VAL A 11 -2.523 6.050 -8.964 1.00 0.18 H new ATOM 0 HB VAL A 11 -3.991 4.118 -8.996 1.00 0.20 H new ATOM 0 HG11 VAL A 11 -2.812 2.752 -10.680 1.00 0.23 H new ATOM 0 HG12 VAL A 11 -2.542 4.493 -10.937 1.00 0.23 H new ATOM 0 HG13 VAL A 11 -1.270 3.495 -10.193 1.00 0.23 H new ATOM 0 HG21 VAL A 11 -3.215 1.870 -8.412 1.00 0.18 H new ATOM 0 HG22 VAL A 11 -1.678 2.554 -7.831 1.00 0.18 H new ATOM 0 HG23 VAL A 11 -3.202 2.965 -7.009 1.00 0.18 H new ATOM 802 N MET A 12 -2.021 5.114 -5.915 1.00 0.16 N ATOM 803 CA MET A 12 -2.396 5.372 -4.535 1.00 0.20 C ATOM 804 C MET A 12 -2.654 6.853 -4.312 1.00 0.24 C ATOM 805 O MET A 12 -3.614 7.222 -3.652 1.00 0.40 O ATOM 806 CB MET A 12 -1.308 4.888 -3.588 1.00 0.25 C ATOM 807 CG MET A 12 -1.395 3.412 -3.273 1.00 0.17 C ATOM 808 SD MET A 12 0.087 2.796 -2.470 1.00 0.72 S ATOM 809 CE MET A 12 -0.465 1.185 -1.955 1.00 0.19 C ATOM 0 H MET A 12 -1.122 4.646 -6.028 1.00 0.16 H new ATOM 0 HA MET A 12 -3.315 4.824 -4.328 1.00 0.20 H new ATOM 0 HB2 MET A 12 -0.334 5.101 -4.028 1.00 0.25 H new ATOM 0 HB3 MET A 12 -1.368 5.454 -2.658 1.00 0.25 H new ATOM 0 HG2 MET A 12 -2.256 3.231 -2.629 1.00 0.17 H new ATOM 0 HG3 MET A 12 -1.563 2.856 -4.195 1.00 0.17 H new ATOM 0 HE1 MET A 12 0.399 0.547 -1.768 1.00 0.19 H new ATOM 0 HE2 MET A 12 -1.053 1.277 -1.042 1.00 0.19 H new ATOM 0 HE3 MET A 12 -1.079 0.743 -2.739 1.00 0.19 H new ATOM 819 N VAL A 13 -1.790 7.695 -4.863 1.00 0.17 N ATOM 820 CA VAL A 13 -1.971 9.137 -4.762 1.00 0.19 C ATOM 821 C VAL A 13 -2.764 9.695 -5.950 1.00 0.20 C ATOM 822 O VAL A 13 -3.470 10.693 -5.817 1.00 0.28 O ATOM 823 CB VAL A 13 -0.625 9.880 -4.630 1.00 0.18 C ATOM 824 CG1 VAL A 13 0.020 9.590 -3.285 1.00 0.21 C ATOM 825 CG2 VAL A 13 0.317 9.497 -5.754 1.00 0.19 C ATOM 0 H VAL A 13 -0.961 7.406 -5.382 1.00 0.17 H new ATOM 0 HA VAL A 13 -2.546 9.310 -3.852 1.00 0.19 H new ATOM 0 HB VAL A 13 -0.826 10.949 -4.697 1.00 0.18 H new ATOM 0 HG11 VAL A 13 0.968 10.124 -3.213 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -0.643 9.919 -2.485 1.00 0.21 H new ATOM 0 HG13 VAL A 13 0.199 8.519 -3.191 1.00 0.21 H new ATOM 0 HG21 VAL A 13 1.259 10.034 -5.639 1.00 0.19 H new ATOM 0 HG22 VAL A 13 0.505 8.424 -5.721 1.00 0.19 H new ATOM 0 HG23 VAL A 13 -0.134 9.757 -6.711 1.00 0.19 H new ATOM 835 N SER A 14 -2.664 9.043 -7.106 1.00 0.19 N ATOM 836 CA SER A 14 -3.366 9.496 -8.306 1.00 0.22 C ATOM 837 C SER A 14 -4.871 9.237 -8.197 1.00 0.24 C ATOM 838 O SER A 14 -5.677 10.167 -8.252 1.00 0.28 O ATOM 839 CB SER A 14 -2.797 8.806 -9.548 1.00 0.24 C ATOM 840 OG SER A 14 -1.416 9.088 -9.697 1.00 1.12 O ATOM 0 H SER A 14 -2.105 8.200 -7.238 1.00 0.19 H new ATOM 0 HA SER A 14 -3.214 10.571 -8.399 1.00 0.22 H new ATOM 0 HB2 SER A 14 -2.946 7.729 -9.470 1.00 0.24 H new ATOM 0 HB3 SER A 14 -3.338 9.140 -10.434 1.00 0.24 H new ATOM 0 HG SER A 14 -0.890 8.406 -9.229 1.00 1.12 H new ATOM 846 N THR A 15 -5.235 7.972 -8.024 1.00 0.25 N ATOM 847 CA THR A 15 -6.628 7.573 -7.869 1.00 0.28 C ATOM 848 C THR A 15 -7.217 8.201 -6.601 1.00 0.30 C ATOM 849 O THR A 15 -8.421 8.457 -6.515 1.00 0.33 O ATOM 850 CB THR A 15 -6.736 6.034 -7.819 1.00 0.28 C ATOM 851 OG1 THR A 15 -6.089 5.472 -8.971 1.00 0.34 O ATOM 852 CG2 THR A 15 -8.180 5.568 -7.785 1.00 0.26 C ATOM 0 H THR A 15 -4.574 7.196 -7.987 1.00 0.25 H new ATOM 0 HA THR A 15 -7.199 7.930 -8.726 1.00 0.28 H new ATOM 0 HB THR A 15 -6.250 5.697 -6.903 1.00 0.28 H new ATOM 0 HG1 THR A 15 -6.698 4.847 -9.416 1.00 0.34 H new ATOM 0 HG21 THR A 15 -8.210 4.479 -7.750 1.00 0.26 H new ATOM 0 HG22 THR A 15 -8.672 5.973 -6.901 1.00 0.26 H new ATOM 0 HG23 THR A 15 -8.696 5.917 -8.679 1.00 0.26 H new ATOM 860 N PHE A 16 -6.339 8.452 -5.631 1.00 0.31 N ATOM 861 CA PHE A 16 -6.691 9.130 -4.385 1.00 0.37 C ATOM 862 C PHE A 16 -7.504 10.397 -4.646 1.00 0.42 C ATOM 863 O PHE A 16 -8.703 10.438 -4.372 1.00 0.54 O ATOM 864 CB PHE A 16 -5.406 9.478 -3.631 1.00 0.45 C ATOM 865 CG PHE A 16 -5.598 10.216 -2.341 1.00 0.36 C ATOM 866 CD1 PHE A 16 -6.184 9.596 -1.252 1.00 1.26 C ATOM 867 CD2 PHE A 16 -5.174 11.528 -2.213 1.00 1.24 C ATOM 868 CE1 PHE A 16 -6.346 10.272 -0.060 1.00 1.43 C ATOM 869 CE2 PHE A 16 -5.331 12.206 -1.024 1.00 1.39 C ATOM 870 CZ PHE A 16 -5.918 11.577 0.054 1.00 0.99 C ATOM 0 H PHE A 16 -5.355 8.188 -5.689 1.00 0.31 H new ATOM 0 HA PHE A 16 -7.310 8.461 -3.787 1.00 0.37 H new ATOM 0 HB2 PHE A 16 -4.864 8.555 -3.425 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -4.773 10.080 -4.284 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -6.518 8.572 -1.336 1.00 1.26 H new ATOM 0 HD2 PHE A 16 -4.715 12.025 -3.055 1.00 1.24 H new ATOM 0 HE1 PHE A 16 -6.808 9.779 0.783 1.00 1.43 H new ATOM 0 HE2 PHE A 16 -4.995 13.229 -0.936 1.00 1.39 H new ATOM 0 HZ PHE A 16 -6.042 12.107 0.987 1.00 0.99 H new ATOM 880 N HIS A 17 -6.855 11.418 -5.206 1.00 0.44 N ATOM 881 CA HIS A 17 -7.513 12.704 -5.448 1.00 0.54 C ATOM 882 C HIS A 17 -8.518 12.595 -6.591 1.00 0.47 C ATOM 883 O HIS A 17 -9.387 13.451 -6.757 1.00 0.52 O ATOM 884 CB HIS A 17 -6.482 13.808 -5.747 1.00 0.72 C ATOM 885 CG HIS A 17 -5.731 13.642 -7.040 1.00 1.09 C ATOM 886 ND1 HIS A 17 -4.542 13.050 -7.309 1.00 2.16 N flip ATOM 887 CD2 HIS A 17 -6.185 14.138 -8.243 1.00 1.23 C flip ATOM 888 CE1 HIS A 17 -4.303 13.199 -8.654 1.00 2.80 C flip ATOM 889 NE2 HIS A 17 -5.312 13.858 -9.191 1.00 2.27 N flip ATOM 0 H HIS A 17 -5.879 11.381 -5.500 1.00 0.44 H new ATOM 0 HA HIS A 17 -8.050 12.976 -4.539 1.00 0.54 H new ATOM 0 HB2 HIS A 17 -6.996 14.769 -5.763 1.00 0.72 H new ATOM 0 HB3 HIS A 17 -5.763 13.844 -4.929 1.00 0.72 H new ATOM 0 HD1 HIS A 17 -3.936 12.580 -6.637 1.00 2.16 H new ATOM 0 HD2 HIS A 17 -7.112 14.673 -8.387 1.00 1.23 H new ATOM 0 HE1 HIS A 17 -3.434 12.837 -9.183 1.00 2.80 H new ATOM 898 N LYS A 18 -8.394 11.525 -7.364 1.00 0.43 N ATOM 899 CA LYS A 18 -9.243 11.298 -8.524 1.00 0.46 C ATOM 900 C LYS A 18 -10.706 11.098 -8.119 1.00 0.44 C ATOM 901 O LYS A 18 -11.610 11.613 -8.776 1.00 0.62 O ATOM 902 CB LYS A 18 -8.728 10.077 -9.292 1.00 0.55 C ATOM 903 CG LYS A 18 -9.543 9.700 -10.516 1.00 0.77 C ATOM 904 CD LYS A 18 -8.979 8.450 -11.171 1.00 0.73 C ATOM 905 CE LYS A 18 -9.856 7.956 -12.309 1.00 1.41 C ATOM 906 NZ LYS A 18 -9.360 6.667 -12.857 1.00 1.69 N ATOM 0 H LYS A 18 -7.703 10.792 -7.205 1.00 0.43 H new ATOM 0 HA LYS A 18 -9.202 12.180 -9.164 1.00 0.46 H new ATOM 0 HB2 LYS A 18 -7.701 10.268 -9.603 1.00 0.55 H new ATOM 0 HB3 LYS A 18 -8.702 9.224 -8.614 1.00 0.55 H new ATOM 0 HG2 LYS A 18 -10.581 9.530 -10.230 1.00 0.77 H new ATOM 0 HG3 LYS A 18 -9.540 10.524 -11.230 1.00 0.77 H new ATOM 0 HD2 LYS A 18 -7.979 8.660 -11.550 1.00 0.73 H new ATOM 0 HD3 LYS A 18 -8.879 7.663 -10.423 1.00 0.73 H new ATOM 0 HE2 LYS A 18 -10.879 7.832 -11.954 1.00 1.41 H new ATOM 0 HE3 LYS A 18 -9.882 8.704 -13.101 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 -10.066 6.273 -13.511 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -8.468 6.827 -13.367 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -9.198 5.998 -12.078 1.00 1.69 H new ATOM 920 N TYR A 19 -10.936 10.360 -7.035 1.00 0.37 N ATOM 921 CA TYR A 19 -12.301 10.054 -6.607 1.00 0.41 C ATOM 922 C TYR A 19 -12.713 10.844 -5.371 1.00 0.48 C ATOM 923 O TYR A 19 -13.903 10.992 -5.108 1.00 0.73 O ATOM 924 CB TYR A 19 -12.466 8.553 -6.348 1.00 0.43 C ATOM 925 CG TYR A 19 -12.387 7.712 -7.604 1.00 0.38 C ATOM 926 CD1 TYR A 19 -11.163 7.373 -8.154 1.00 1.14 C ATOM 927 CD2 TYR A 19 -13.538 7.265 -8.244 1.00 1.18 C ATOM 928 CE1 TYR A 19 -11.082 6.614 -9.301 1.00 1.14 C ATOM 929 CE2 TYR A 19 -13.463 6.505 -9.397 1.00 1.21 C ATOM 930 CZ TYR A 19 -12.230 6.183 -9.919 1.00 0.48 C ATOM 931 OH TYR A 19 -12.138 5.435 -11.073 1.00 0.59 O ATOM 0 H TYR A 19 -10.205 9.966 -6.442 1.00 0.37 H new ATOM 0 HA TYR A 19 -12.959 10.353 -7.423 1.00 0.41 H new ATOM 0 HB2 TYR A 19 -11.694 8.225 -5.652 1.00 0.43 H new ATOM 0 HB3 TYR A 19 -13.427 8.379 -5.864 1.00 0.43 H new ATOM 0 HD1 TYR A 19 -10.255 7.709 -7.676 1.00 1.14 H new ATOM 0 HD2 TYR A 19 -14.505 7.515 -7.834 1.00 1.18 H new ATOM 0 HE1 TYR A 19 -10.117 6.358 -9.713 1.00 1.14 H new ATOM 0 HE2 TYR A 19 -14.365 6.166 -9.885 1.00 1.21 H new ATOM 0 HH TYR A 19 -11.201 5.201 -11.237 1.00 0.59 H new ATOM 941 N SER A 20 -11.745 11.347 -4.617 1.00 0.38 N ATOM 942 CA SER A 20 -12.052 12.138 -3.428 1.00 0.45 C ATOM 943 C SER A 20 -12.384 13.573 -3.820 1.00 0.54 C ATOM 944 O SER A 20 -13.208 14.230 -3.184 1.00 0.68 O ATOM 945 CB SER A 20 -10.874 12.098 -2.454 1.00 0.47 C ATOM 946 OG SER A 20 -9.680 12.484 -3.105 1.00 0.52 O ATOM 0 H SER A 20 -10.750 11.225 -4.803 1.00 0.38 H new ATOM 0 HA SER A 20 -12.924 11.711 -2.932 1.00 0.45 H new ATOM 0 HB2 SER A 20 -11.068 12.763 -1.612 1.00 0.47 H new ATOM 0 HB3 SER A 20 -10.765 11.093 -2.047 1.00 0.47 H new ATOM 0 HG SER A 20 -9.183 11.685 -3.379 1.00 0.52 H new ATOM 952 N GLY A 21 -11.758 14.049 -4.892 1.00 0.54 N ATOM 953 CA GLY A 21 -12.030 15.385 -5.383 1.00 0.65 C ATOM 954 C GLY A 21 -13.293 15.440 -6.222 1.00 0.68 C ATOM 955 O GLY A 21 -13.402 16.249 -7.144 1.00 0.82 O ATOM 0 H GLY A 21 -11.065 13.530 -5.430 1.00 0.54 H new ATOM 0 HA2 GLY A 21 -12.126 16.068 -4.539 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -11.185 15.731 -5.978 1.00 0.65 H new ATOM 1057 N LYS A 28 -9.607 13.676 0.923 1.00 0.67 N ATOM 1058 CA LYS A 28 -10.443 12.981 1.877 1.00 0.64 C ATOM 1059 C LYS A 28 -11.499 12.160 1.170 1.00 0.48 C ATOM 1060 O LYS A 28 -12.344 12.691 0.454 1.00 0.54 O ATOM 1061 CB LYS A 28 -11.114 13.988 2.817 1.00 0.87 C ATOM 1062 CG LYS A 28 -11.712 13.363 4.064 1.00 1.00 C ATOM 1063 CD LYS A 28 -10.623 12.945 5.033 1.00 1.04 C ATOM 1064 CE LYS A 28 -9.938 14.156 5.655 1.00 1.55 C ATOM 1065 NZ LYS A 28 -8.847 13.772 6.589 1.00 2.03 N ATOM 0 HA LYS A 28 -9.812 12.308 2.458 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -10.380 14.737 3.114 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -11.900 14.511 2.272 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -12.381 14.074 4.547 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -12.313 12.496 3.789 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -11.052 12.324 5.819 1.00 1.04 H new ATOM 0 HD3 LYS A 28 -9.885 12.335 4.512 1.00 1.04 H new ATOM 0 HE2 LYS A 28 -9.531 14.786 4.864 1.00 1.55 H new ATOM 0 HE3 LYS A 28 -10.677 14.753 6.189 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 -8.700 14.533 7.283 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -9.107 12.896 7.086 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -7.969 13.618 6.053 1.00 2.03 H new ATOM 1079 N LEU A 29 -11.452 10.862 1.379 1.00 0.36 N ATOM 1080 CA LEU A 29 -12.474 9.984 0.829 1.00 0.32 C ATOM 1081 C LEU A 29 -13.478 9.576 1.893 1.00 0.34 C ATOM 1082 O LEU A 29 -13.153 8.832 2.820 1.00 0.40 O ATOM 1083 CB LEU A 29 -11.877 8.724 0.189 1.00 0.30 C ATOM 1084 CG LEU A 29 -11.145 8.937 -1.136 1.00 0.30 C ATOM 1085 CD1 LEU A 29 -9.701 9.334 -0.895 1.00 0.32 C ATOM 1086 CD2 LEU A 29 -11.226 7.688 -1.997 1.00 0.33 C ATOM 0 H LEU A 29 -10.727 10.390 1.920 1.00 0.36 H new ATOM 0 HA LEU A 29 -12.980 10.556 0.051 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -11.183 8.273 0.898 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -12.680 8.005 0.028 1.00 0.30 H new ATOM 0 HG LEU A 29 -11.634 9.752 -1.670 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -9.199 9.480 -1.852 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -9.669 10.261 -0.323 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -9.195 8.546 -0.337 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -10.699 7.859 -2.936 1.00 0.33 H new ATOM 0 HD22 LEU A 29 -10.766 6.852 -1.470 1.00 0.33 H new ATOM 0 HD23 LEU A 29 -12.271 7.456 -2.204 1.00 0.33 H new ATOM 1098 N ASN A 30 -14.691 10.091 1.774 1.00 0.35 N ATOM 1099 CA ASN A 30 -15.797 9.618 2.591 1.00 0.35 C ATOM 1100 C ASN A 30 -16.378 8.364 1.941 1.00 0.31 C ATOM 1101 O ASN A 30 -15.820 7.870 0.954 1.00 0.29 O ATOM 1102 CB ASN A 30 -16.878 10.702 2.746 1.00 0.41 C ATOM 1103 CG ASN A 30 -17.714 10.903 1.496 1.00 0.62 C ATOM 1104 OD1 ASN A 30 -18.752 10.266 1.319 1.00 1.20 O ATOM 1105 ND2 ASN A 30 -17.276 11.793 0.625 1.00 0.63 N ATOM 0 H ASN A 30 -14.935 10.835 1.121 1.00 0.35 H new ATOM 0 HA ASN A 30 -15.433 9.383 3.591 1.00 0.35 H new ATOM 0 HB2 ASN A 30 -17.534 10.434 3.574 1.00 0.41 H new ATOM 0 HB3 ASN A 30 -16.401 11.646 3.010 1.00 0.41 H new ATOM 0 HD21 ASN A 30 -17.803 11.972 -0.230 1.00 0.63 H new ATOM 0 HD22 ASN A 30 -16.411 12.302 0.807 1.00 0.63 H new ATOM 1112 N LYS A 31 -17.480 7.850 2.482 1.00 0.32 N ATOM 1113 CA LYS A 31 -18.116 6.644 1.942 1.00 0.31 C ATOM 1114 C LYS A 31 -18.301 6.732 0.425 1.00 0.30 C ATOM 1115 O LYS A 31 -17.956 5.808 -0.303 1.00 0.31 O ATOM 1116 CB LYS A 31 -19.480 6.401 2.591 1.00 0.35 C ATOM 1117 CG LYS A 31 -19.445 6.317 4.108 1.00 0.45 C ATOM 1118 CD LYS A 31 -20.746 5.753 4.664 1.00 0.56 C ATOM 1119 CE LYS A 31 -21.959 6.538 4.189 1.00 1.22 C ATOM 1120 NZ LYS A 31 -21.964 7.933 4.702 1.00 1.70 N ATOM 0 H LYS A 31 -17.953 8.247 3.294 1.00 0.32 H new ATOM 0 HA LYS A 31 -17.449 5.813 2.171 1.00 0.31 H new ATOM 0 HB2 LYS A 31 -20.156 7.204 2.299 1.00 0.35 H new ATOM 0 HB3 LYS A 31 -19.897 5.474 2.197 1.00 0.35 H new ATOM 0 HG2 LYS A 31 -18.611 5.688 4.420 1.00 0.45 H new ATOM 0 HG3 LYS A 31 -19.269 7.309 4.525 1.00 0.45 H new ATOM 0 HD2 LYS A 31 -20.848 4.711 4.361 1.00 0.56 H new ATOM 0 HD3 LYS A 31 -20.710 5.766 5.753 1.00 0.56 H new ATOM 0 HE2 LYS A 31 -21.975 6.554 3.099 1.00 1.22 H new ATOM 0 HE3 LYS A 31 -22.867 6.031 4.514 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 -22.809 8.428 4.352 1.00 1.70 H new ATOM 0 HZ2 LYS A 31 -21.976 7.920 5.742 1.00 1.70 H new ATOM 0 HZ3 LYS A 31 -21.111 8.428 4.371 1.00 1.70 H new ATOM 1134 N SER A 32 -18.827 7.862 -0.037 1.00 0.32 N ATOM 1135 CA SER A 32 -19.130 8.070 -1.451 1.00 0.34 C ATOM 1136 C SER A 32 -17.885 7.965 -2.337 1.00 0.31 C ATOM 1137 O SER A 32 -17.941 7.391 -3.428 1.00 0.34 O ATOM 1138 CB SER A 32 -19.782 9.449 -1.630 1.00 0.43 C ATOM 1139 OG SER A 32 -19.762 9.868 -2.984 1.00 1.29 O ATOM 0 H SER A 32 -19.055 8.659 0.557 1.00 0.32 H new ATOM 0 HA SER A 32 -19.814 7.281 -1.764 1.00 0.34 H new ATOM 0 HB2 SER A 32 -20.812 9.413 -1.276 1.00 0.43 H new ATOM 0 HB3 SER A 32 -19.259 10.181 -1.015 1.00 0.43 H new ATOM 0 HG SER A 32 -18.924 10.342 -3.167 1.00 1.29 H new ATOM 1145 N GLU A 33 -16.763 8.495 -1.864 1.00 0.30 N ATOM 1146 CA GLU A 33 -15.574 8.608 -2.695 1.00 0.31 C ATOM 1147 C GLU A 33 -14.889 7.259 -2.808 1.00 0.26 C ATOM 1148 O GLU A 33 -14.479 6.843 -3.892 1.00 0.27 O ATOM 1149 CB GLU A 33 -14.614 9.644 -2.106 1.00 0.37 C ATOM 1150 CG GLU A 33 -15.292 10.938 -1.665 1.00 0.51 C ATOM 1151 CD GLU A 33 -16.136 11.583 -2.751 1.00 0.88 C ATOM 1152 OE1 GLU A 33 -17.271 11.110 -2.990 1.00 1.68 O ATOM 1153 OE2 GLU A 33 -15.681 12.570 -3.357 1.00 1.46 O ATOM 0 H GLU A 33 -16.653 8.851 -0.914 1.00 0.30 H new ATOM 0 HA GLU A 33 -15.870 8.936 -3.692 1.00 0.31 H new ATOM 0 HB2 GLU A 33 -14.102 9.204 -1.250 1.00 0.37 H new ATOM 0 HB3 GLU A 33 -13.851 9.880 -2.848 1.00 0.37 H new ATOM 0 HG2 GLU A 33 -15.923 10.731 -0.801 1.00 0.51 H new ATOM 0 HG3 GLU A 33 -14.529 11.646 -1.341 1.00 0.51 H new ATOM 1160 N LEU A 34 -14.784 6.571 -1.679 1.00 0.23 N ATOM 1161 CA LEU A 34 -14.248 5.221 -1.659 1.00 0.20 C ATOM 1162 C LEU A 34 -15.157 4.286 -2.434 1.00 0.20 C ATOM 1163 O LEU A 34 -14.691 3.381 -3.119 1.00 0.23 O ATOM 1164 CB LEU A 34 -14.097 4.723 -0.229 1.00 0.18 C ATOM 1165 CG LEU A 34 -12.845 5.186 0.496 1.00 0.18 C ATOM 1166 CD1 LEU A 34 -12.978 4.891 1.972 1.00 0.21 C ATOM 1167 CD2 LEU A 34 -11.625 4.489 -0.079 1.00 0.18 C ATOM 0 H LEU A 34 -15.064 6.928 -0.765 1.00 0.23 H new ATOM 0 HA LEU A 34 -13.265 5.237 -2.129 1.00 0.20 H new ATOM 0 HB2 LEU A 34 -14.967 5.045 0.343 1.00 0.18 H new ATOM 0 HB3 LEU A 34 -14.108 3.633 -0.239 1.00 0.18 H new ATOM 0 HG LEU A 34 -12.723 6.261 0.361 1.00 0.18 H new ATOM 0 HD11 LEU A 34 -12.079 5.223 2.492 1.00 0.21 H new ATOM 0 HD12 LEU A 34 -13.844 5.418 2.372 1.00 0.21 H new ATOM 0 HD13 LEU A 34 -13.106 3.819 2.119 1.00 0.21 H new ATOM 0 HD21 LEU A 34 -10.732 4.827 0.446 1.00 0.18 H new ATOM 0 HD22 LEU A 34 -11.731 3.411 0.042 1.00 0.18 H new ATOM 0 HD23 LEU A 34 -11.535 4.728 -1.139 1.00 0.18 H new ATOM 1179 N LYS A 35 -16.459 4.515 -2.313 1.00 0.23 N ATOM 1180 CA LYS A 35 -17.450 3.759 -3.041 1.00 0.29 C ATOM 1181 C LYS A 35 -17.107 3.700 -4.519 1.00 0.25 C ATOM 1182 O LYS A 35 -16.836 2.627 -5.053 1.00 0.27 O ATOM 1183 CB LYS A 35 -18.809 4.406 -2.829 1.00 0.42 C ATOM 1184 CG LYS A 35 -19.959 3.660 -3.450 1.00 0.60 C ATOM 1185 CD LYS A 35 -21.269 4.222 -2.952 1.00 0.71 C ATOM 1186 CE LYS A 35 -22.419 3.338 -3.340 1.00 0.53 C ATOM 1187 NZ LYS A 35 -23.693 3.802 -2.738 1.00 0.89 N ATOM 0 H LYS A 35 -16.850 5.234 -1.704 1.00 0.23 H new ATOM 0 HA LYS A 35 -17.471 2.734 -2.670 1.00 0.29 H new ATOM 0 HB2 LYS A 35 -18.989 4.500 -1.758 1.00 0.42 H new ATOM 0 HB3 LYS A 35 -18.784 5.416 -3.238 1.00 0.42 H new ATOM 0 HG2 LYS A 35 -19.910 3.738 -4.536 1.00 0.60 H new ATOM 0 HG3 LYS A 35 -19.891 2.600 -3.203 1.00 0.60 H new ATOM 0 HD2 LYS A 35 -21.235 4.325 -1.867 1.00 0.71 H new ATOM 0 HD3 LYS A 35 -21.419 5.221 -3.362 1.00 0.71 H new ATOM 0 HE2 LYS A 35 -22.514 3.320 -4.426 1.00 0.53 H new ATOM 0 HE3 LYS A 35 -22.216 2.316 -3.021 1.00 0.53 H new ATOM 0 HZ1 LYS A 35 -24.470 3.188 -3.055 1.00 0.89 H new ATOM 0 HZ2 LYS A 35 -23.621 3.763 -1.701 1.00 0.89 H new ATOM 0 HZ3 LYS A 35 -23.881 4.781 -3.036 1.00 0.89 H new ATOM 1201 N GLU A 36 -17.077 4.856 -5.166 1.00 0.25 N ATOM 1202 CA GLU A 36 -16.796 4.905 -6.587 1.00 0.28 C ATOM 1203 C GLU A 36 -15.392 4.378 -6.866 1.00 0.28 C ATOM 1204 O GLU A 36 -15.167 3.681 -7.856 1.00 0.34 O ATOM 1205 CB GLU A 36 -16.951 6.325 -7.123 1.00 0.32 C ATOM 1206 CG GLU A 36 -17.125 6.359 -8.626 1.00 0.66 C ATOM 1207 CD GLU A 36 -17.409 7.742 -9.164 1.00 0.77 C ATOM 1208 OE1 GLU A 36 -18.498 8.282 -8.881 1.00 1.49 O ATOM 1209 OE2 GLU A 36 -16.551 8.293 -9.883 1.00 1.28 O ATOM 0 H GLU A 36 -17.243 5.764 -4.731 1.00 0.25 H new ATOM 0 HA GLU A 36 -17.517 4.269 -7.101 1.00 0.28 H new ATOM 0 HB2 GLU A 36 -17.812 6.797 -6.650 1.00 0.32 H new ATOM 0 HB3 GLU A 36 -16.075 6.912 -6.848 1.00 0.32 H new ATOM 0 HG2 GLU A 36 -16.222 5.971 -9.098 1.00 0.66 H new ATOM 0 HG3 GLU A 36 -17.942 5.693 -8.905 1.00 0.66 H new ATOM 1216 N LEU A 37 -14.465 4.701 -5.967 1.00 0.25 N ATOM 1217 CA LEU A 37 -13.092 4.202 -6.030 1.00 0.27 C ATOM 1218 C LEU A 37 -13.076 2.697 -6.243 1.00 0.23 C ATOM 1219 O LEU A 37 -12.569 2.201 -7.253 1.00 0.24 O ATOM 1220 CB LEU A 37 -12.369 4.538 -4.725 1.00 0.32 C ATOM 1221 CG LEU A 37 -10.851 4.429 -4.768 1.00 0.40 C ATOM 1222 CD1 LEU A 37 -10.246 5.779 -5.103 1.00 0.33 C ATOM 1223 CD2 LEU A 37 -10.317 3.908 -3.446 1.00 0.74 C ATOM 0 H LEU A 37 -14.644 5.316 -5.174 1.00 0.25 H new ATOM 0 HA LEU A 37 -12.586 4.678 -6.870 1.00 0.27 H new ATOM 0 HB2 LEU A 37 -12.634 5.555 -4.435 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -12.741 3.876 -3.943 1.00 0.32 H new ATOM 0 HG LEU A 37 -10.568 3.720 -5.546 1.00 0.40 H new ATOM 0 HD11 LEU A 37 -9.160 5.694 -5.132 1.00 0.33 H new ATOM 0 HD12 LEU A 37 -10.610 6.110 -6.076 1.00 0.33 H new ATOM 0 HD13 LEU A 37 -10.533 6.505 -4.342 1.00 0.33 H new ATOM 0 HD21 LEU A 37 -9.230 3.837 -3.495 1.00 0.74 H new ATOM 0 HD22 LEU A 37 -10.600 4.591 -2.645 1.00 0.74 H new ATOM 0 HD23 LEU A 37 -10.737 2.922 -3.247 1.00 0.74 H new ATOM 1235 N LEU A 38 -13.663 1.976 -5.299 1.00 0.20 N ATOM 1236 CA LEU A 38 -13.669 0.527 -5.343 1.00 0.20 C ATOM 1237 C LEU A 38 -14.556 -0.002 -6.464 1.00 0.22 C ATOM 1238 O LEU A 38 -14.215 -0.981 -7.105 1.00 0.24 O ATOM 1239 CB LEU A 38 -14.103 -0.057 -4.000 1.00 0.19 C ATOM 1240 CG LEU A 38 -13.030 -0.042 -2.910 1.00 0.18 C ATOM 1241 CD1 LEU A 38 -13.346 1.001 -1.856 1.00 0.19 C ATOM 1242 CD2 LEU A 38 -12.894 -1.417 -2.277 1.00 0.21 C ATOM 0 H LEU A 38 -14.142 2.375 -4.492 1.00 0.20 H new ATOM 0 HA LEU A 38 -12.648 0.207 -5.549 1.00 0.20 H new ATOM 0 HB2 LEU A 38 -14.970 0.499 -3.643 1.00 0.19 H new ATOM 0 HB3 LEU A 38 -14.426 -1.086 -4.156 1.00 0.19 H new ATOM 0 HG LEU A 38 -12.079 0.221 -3.373 1.00 0.18 H new ATOM 0 HD11 LEU A 38 -12.569 0.993 -1.092 1.00 0.19 H new ATOM 0 HD12 LEU A 38 -13.388 1.986 -2.320 1.00 0.19 H new ATOM 0 HD13 LEU A 38 -14.309 0.775 -1.397 1.00 0.19 H new ATOM 0 HD21 LEU A 38 -12.126 -1.387 -1.504 1.00 0.21 H new ATOM 0 HD22 LEU A 38 -13.846 -1.709 -1.832 1.00 0.21 H new ATOM 0 HD23 LEU A 38 -12.613 -2.143 -3.040 1.00 0.21 H new ATOM 1254 N THR A 39 -15.674 0.651 -6.725 1.00 0.23 N ATOM 1255 CA THR A 39 -16.604 0.156 -7.743 1.00 0.26 C ATOM 1256 C THR A 39 -15.955 0.168 -9.120 1.00 0.27 C ATOM 1257 O THR A 39 -16.249 -0.672 -9.972 1.00 0.30 O ATOM 1258 CB THR A 39 -17.916 0.970 -7.805 1.00 0.29 C ATOM 1259 OG1 THR A 39 -17.644 2.354 -8.062 1.00 0.33 O ATOM 1260 CG2 THR A 39 -18.704 0.842 -6.512 1.00 0.30 C ATOM 0 H THR A 39 -15.963 1.511 -6.259 1.00 0.23 H new ATOM 0 HA THR A 39 -16.852 -0.864 -7.451 1.00 0.26 H new ATOM 0 HB THR A 39 -18.513 0.564 -8.622 1.00 0.29 H new ATOM 0 HG1 THR A 39 -16.679 2.515 -8.001 1.00 0.33 H new ATOM 0 HG21 THR A 39 -19.622 1.426 -6.586 1.00 0.30 H new ATOM 0 HG22 THR A 39 -18.953 -0.205 -6.340 1.00 0.30 H new ATOM 0 HG23 THR A 39 -18.104 1.214 -5.682 1.00 0.30 H new ATOM 1268 N ARG A 40 -15.071 1.130 -9.327 1.00 0.27 N ATOM 1269 CA ARG A 40 -14.424 1.308 -10.609 1.00 0.30 C ATOM 1270 C ARG A 40 -13.112 0.539 -10.696 1.00 0.29 C ATOM 1271 O ARG A 40 -12.952 -0.339 -11.544 1.00 0.33 O ATOM 1272 CB ARG A 40 -14.188 2.796 -10.859 1.00 0.34 C ATOM 1273 CG ARG A 40 -15.476 3.581 -11.050 1.00 0.36 C ATOM 1274 CD ARG A 40 -16.195 3.145 -12.312 1.00 0.47 C ATOM 1275 NE ARG A 40 -15.438 3.507 -13.510 1.00 0.67 N ATOM 1276 CZ ARG A 40 -15.324 2.742 -14.595 1.00 0.90 C ATOM 1277 NH1 ARG A 40 -15.878 1.539 -14.634 1.00 1.24 N ATOM 1278 NH2 ARG A 40 -14.632 3.182 -15.638 1.00 1.09 N ATOM 0 H ARG A 40 -14.786 1.803 -8.615 1.00 0.27 H new ATOM 0 HA ARG A 40 -15.083 0.907 -11.379 1.00 0.30 H new ATOM 0 HB2 ARG A 40 -13.635 3.216 -10.019 1.00 0.34 H new ATOM 0 HB3 ARG A 40 -13.563 2.915 -11.744 1.00 0.34 H new ATOM 0 HG2 ARG A 40 -16.126 3.435 -10.188 1.00 0.36 H new ATOM 0 HG3 ARG A 40 -15.252 4.646 -11.104 1.00 0.36 H new ATOM 0 HD2 ARG A 40 -16.350 2.066 -12.290 1.00 0.47 H new ATOM 0 HD3 ARG A 40 -17.181 3.608 -12.349 1.00 0.47 H new ATOM 0 HE ARG A 40 -14.963 4.410 -13.515 1.00 0.67 H new ATOM 0 HH11 ARG A 40 -16.398 1.191 -13.829 1.00 1.24 H new ATOM 0 HH12 ARG A 40 -15.785 0.961 -15.470 1.00 1.24 H new ATOM 0 HH21 ARG A 40 -14.191 4.101 -15.606 1.00 1.09 H new ATOM 0 HH22 ARG A 40 -14.541 2.601 -16.471 1.00 1.09 H new ATOM 1292 N GLU A 41 -12.181 0.865 -9.814 1.00 0.29 N ATOM 1293 CA GLU A 41 -10.826 0.344 -9.915 1.00 0.32 C ATOM 1294 C GLU A 41 -10.543 -0.812 -8.959 1.00 0.35 C ATOM 1295 O GLU A 41 -9.480 -1.413 -9.026 1.00 0.46 O ATOM 1296 CB GLU A 41 -9.817 1.475 -9.746 1.00 0.38 C ATOM 1297 CG GLU A 41 -9.564 2.218 -11.047 1.00 0.47 C ATOM 1298 CD GLU A 41 -8.876 3.557 -10.865 1.00 0.83 C ATOM 1299 OE1 GLU A 41 -7.688 3.577 -10.483 1.00 1.60 O ATOM 1300 OE2 GLU A 41 -9.523 4.595 -11.124 1.00 1.54 O ATOM 0 H GLU A 41 -12.338 1.487 -9.021 1.00 0.29 H new ATOM 0 HA GLU A 41 -10.722 -0.080 -10.914 1.00 0.32 H new ATOM 0 HB2 GLU A 41 -10.182 2.175 -8.995 1.00 0.38 H new ATOM 0 HB3 GLU A 41 -8.877 1.068 -9.373 1.00 0.38 H new ATOM 0 HG2 GLU A 41 -8.954 1.593 -11.699 1.00 0.47 H new ATOM 0 HG3 GLU A 41 -10.515 2.375 -11.555 1.00 0.47 H new ATOM 1307 N LEU A 42 -11.471 -1.120 -8.060 1.00 0.28 N ATOM 1308 CA LEU A 42 -11.313 -2.290 -7.189 1.00 0.29 C ATOM 1309 C LEU A 42 -12.546 -3.206 -7.244 1.00 0.28 C ATOM 1310 O LEU A 42 -12.973 -3.724 -6.212 1.00 0.26 O ATOM 1311 CB LEU A 42 -11.085 -1.865 -5.728 1.00 0.27 C ATOM 1312 CG LEU A 42 -9.861 -0.994 -5.449 1.00 0.27 C ATOM 1313 CD1 LEU A 42 -10.152 0.479 -5.731 1.00 0.27 C ATOM 1314 CD2 LEU A 42 -9.401 -1.186 -4.014 1.00 0.31 C ATOM 0 H LEU A 42 -12.329 -0.589 -7.912 1.00 0.28 H new ATOM 0 HA LEU A 42 -10.443 -2.836 -7.555 1.00 0.29 H new ATOM 0 HB2 LEU A 42 -11.970 -1.327 -5.388 1.00 0.27 H new ATOM 0 HB3 LEU A 42 -11.007 -2.766 -5.120 1.00 0.27 H new ATOM 0 HG LEU A 42 -9.060 -1.305 -6.120 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -9.262 1.072 -5.523 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -10.433 0.601 -6.777 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -10.970 0.817 -5.094 1.00 0.27 H new ATOM 0 HD21 LEU A 42 -8.528 -0.561 -3.825 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -10.204 -0.903 -3.334 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -9.140 -2.232 -3.852 1.00 0.31 H new ATOM 1326 N PRO A 43 -13.118 -3.468 -8.440 1.00 0.32 N ATOM 1327 CA PRO A 43 -14.417 -4.137 -8.541 1.00 0.34 C ATOM 1328 C PRO A 43 -14.337 -5.615 -8.178 1.00 0.35 C ATOM 1329 O PRO A 43 -15.332 -6.223 -7.775 1.00 0.38 O ATOM 1330 CB PRO A 43 -14.806 -3.952 -10.008 1.00 0.43 C ATOM 1331 CG PRO A 43 -13.517 -3.804 -10.739 1.00 0.52 C ATOM 1332 CD PRO A 43 -12.538 -3.196 -9.770 1.00 0.36 C ATOM 0 HA PRO A 43 -15.146 -3.720 -7.847 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -15.371 -4.808 -10.376 1.00 0.43 H new ATOM 0 HB3 PRO A 43 -15.437 -3.073 -10.140 1.00 0.43 H new ATOM 0 HG2 PRO A 43 -13.160 -4.771 -11.094 1.00 0.52 H new ATOM 0 HG3 PRO A 43 -13.640 -3.168 -11.616 1.00 0.52 H new ATOM 0 HD2 PRO A 43 -11.549 -3.644 -9.871 1.00 0.36 H new ATOM 0 HD3 PRO A 43 -12.422 -2.126 -9.941 1.00 0.36 H new ATOM 1340 N SER A 44 -13.145 -6.179 -8.300 1.00 0.37 N ATOM 1341 CA SER A 44 -12.926 -7.572 -7.959 1.00 0.41 C ATOM 1342 C SER A 44 -12.885 -7.747 -6.447 1.00 0.37 C ATOM 1343 O SER A 44 -13.175 -8.827 -5.927 1.00 0.42 O ATOM 1344 CB SER A 44 -11.623 -8.062 -8.597 1.00 0.48 C ATOM 1345 OG SER A 44 -10.558 -7.164 -8.328 1.00 1.09 O ATOM 0 H SER A 44 -12.314 -5.690 -8.634 1.00 0.37 H new ATOM 0 HA SER A 44 -13.752 -8.169 -8.347 1.00 0.41 H new ATOM 0 HB2 SER A 44 -11.375 -9.052 -8.213 1.00 0.48 H new ATOM 0 HB3 SER A 44 -11.756 -8.162 -9.674 1.00 0.48 H new ATOM 0 HG SER A 44 -10.441 -6.558 -9.089 1.00 1.09 H new ATOM 1351 N PHE A 45 -12.563 -6.658 -5.749 1.00 0.33 N ATOM 1352 CA PHE A 45 -12.418 -6.679 -4.298 1.00 0.34 C ATOM 1353 C PHE A 45 -13.726 -6.284 -3.625 1.00 0.36 C ATOM 1354 O PHE A 45 -13.772 -6.030 -2.422 1.00 0.40 O ATOM 1355 CB PHE A 45 -11.301 -5.725 -3.869 1.00 0.33 C ATOM 1356 CG PHE A 45 -10.005 -5.964 -4.588 1.00 0.35 C ATOM 1357 CD1 PHE A 45 -9.207 -7.047 -4.262 1.00 1.17 C ATOM 1358 CD2 PHE A 45 -9.588 -5.108 -5.594 1.00 1.31 C ATOM 1359 CE1 PHE A 45 -8.018 -7.272 -4.928 1.00 1.15 C ATOM 1360 CE2 PHE A 45 -8.402 -5.327 -6.264 1.00 1.36 C ATOM 1361 CZ PHE A 45 -7.615 -6.410 -5.931 1.00 0.46 C ATOM 0 H PHE A 45 -12.397 -5.745 -6.171 1.00 0.33 H new ATOM 0 HA PHE A 45 -12.160 -7.692 -3.990 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -11.622 -4.698 -4.046 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -11.137 -5.828 -2.796 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -9.517 -7.723 -3.479 1.00 1.17 H new ATOM 0 HD2 PHE A 45 -10.200 -4.258 -5.857 1.00 1.31 H new ATOM 0 HE1 PHE A 45 -7.404 -8.121 -4.665 1.00 1.15 H new ATOM 0 HE2 PHE A 45 -8.090 -4.652 -7.047 1.00 1.36 H new ATOM 0 HZ PHE A 45 -6.686 -6.584 -6.453 1.00 0.46 H new ATOM 1371 N LEU A 46 -14.783 -6.211 -4.416 1.00 0.36 N ATOM 1372 CA LEU A 46 -16.105 -5.917 -3.891 1.00 0.40 C ATOM 1373 C LEU A 46 -16.991 -7.145 -3.993 1.00 0.55 C ATOM 1374 O LEU A 46 -17.833 -7.395 -3.138 1.00 0.70 O ATOM 1375 CB LEU A 46 -16.728 -4.746 -4.641 1.00 0.35 C ATOM 1376 CG LEU A 46 -15.968 -3.430 -4.525 1.00 0.32 C ATOM 1377 CD1 LEU A 46 -16.712 -2.331 -5.257 1.00 0.34 C ATOM 1378 CD2 LEU A 46 -15.772 -3.063 -3.063 1.00 0.30 C ATOM 0 H LEU A 46 -14.751 -6.352 -5.426 1.00 0.36 H new ATOM 0 HA LEU A 46 -16.011 -5.640 -2.841 1.00 0.40 H new ATOM 0 HB2 LEU A 46 -16.808 -5.010 -5.695 1.00 0.35 H new ATOM 0 HB3 LEU A 46 -17.743 -4.596 -4.272 1.00 0.35 H new ATOM 0 HG LEU A 46 -14.987 -3.548 -4.984 1.00 0.32 H new ATOM 0 HD11 LEU A 46 -16.160 -1.396 -5.167 1.00 0.34 H new ATOM 0 HD12 LEU A 46 -16.809 -2.596 -6.310 1.00 0.34 H new ATOM 0 HD13 LEU A 46 -17.704 -2.210 -4.821 1.00 0.34 H new ATOM 0 HD21 LEU A 46 -15.228 -2.121 -2.994 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -16.744 -2.957 -2.581 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -15.203 -3.848 -2.564 1.00 0.30 H new ATOM 1390 N GLY A 47 -16.809 -7.890 -5.062 1.00 0.64 N ATOM 1391 CA GLY A 47 -17.428 -9.192 -5.190 1.00 0.82 C ATOM 1392 C GLY A 47 -18.714 -9.196 -5.989 1.00 0.87 C ATOM 1393 O GLY A 47 -18.932 -10.128 -6.763 1.00 1.23 O ATOM 0 H GLY A 47 -16.235 -7.615 -5.859 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -16.719 -9.873 -5.661 1.00 0.82 H new ATOM 0 HA3 GLY A 47 -17.632 -9.584 -4.193 1.00 0.82 H new ATOM 1397 N LYS A 48 -19.525 -8.138 -5.865 1.00 0.79 N ATOM 1398 CA LYS A 48 -20.804 -8.059 -6.585 1.00 0.95 C ATOM 1399 C LYS A 48 -21.695 -6.949 -6.034 1.00 0.73 C ATOM 1400 O LYS A 48 -21.822 -5.878 -6.624 1.00 0.97 O ATOM 1401 CB LYS A 48 -21.580 -9.385 -6.489 1.00 1.43 C ATOM 1402 CG LYS A 48 -22.698 -9.524 -7.513 1.00 2.17 C ATOM 1403 CD LYS A 48 -22.148 -9.730 -8.916 1.00 2.32 C ATOM 1404 CE LYS A 48 -21.294 -10.989 -9.006 1.00 2.88 C ATOM 1405 NZ LYS A 48 -22.074 -12.222 -8.712 1.00 3.51 N ATOM 0 H LYS A 48 -19.321 -7.330 -5.277 1.00 0.79 H new ATOM 0 HA LYS A 48 -20.556 -7.845 -7.625 1.00 0.95 H new ATOM 0 HB2 LYS A 48 -20.882 -10.213 -6.614 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -22.004 -9.474 -5.489 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -23.336 -10.366 -7.244 1.00 2.17 H new ATOM 0 HG3 LYS A 48 -23.323 -8.631 -7.494 1.00 2.17 H new ATOM 0 HD2 LYS A 48 -22.974 -9.799 -9.624 1.00 2.32 H new ATOM 0 HD3 LYS A 48 -21.552 -8.864 -9.204 1.00 2.32 H new ATOM 0 HE2 LYS A 48 -20.864 -11.063 -10.005 1.00 2.88 H new ATOM 0 HE3 LYS A 48 -20.462 -10.912 -8.306 1.00 2.88 H new ATOM 0 HZ1 LYS A 48 -21.497 -13.059 -8.932 1.00 3.51 H new ATOM 0 HZ2 LYS A 48 -22.334 -12.236 -7.705 1.00 3.51 H new ATOM 0 HZ3 LYS A 48 -22.937 -12.234 -9.293 1.00 3.51 H new ATOM 1419 N ARG A 49 -22.279 -7.219 -4.875 1.00 0.73 N ATOM 1420 CA ARG A 49 -23.373 -6.406 -4.340 1.00 0.70 C ATOM 1421 C ARG A 49 -22.867 -5.352 -3.368 1.00 0.61 C ATOM 1422 O ARG A 49 -23.413 -5.183 -2.280 1.00 0.75 O ATOM 1423 CB ARG A 49 -24.386 -7.307 -3.625 1.00 0.97 C ATOM 1424 CG ARG A 49 -23.780 -8.105 -2.477 1.00 1.10 C ATOM 1425 CD ARG A 49 -24.710 -8.161 -1.279 1.00 1.54 C ATOM 1426 NE ARG A 49 -25.174 -6.831 -0.889 1.00 2.02 N ATOM 1427 CZ ARG A 49 -25.714 -6.541 0.288 1.00 2.68 C ATOM 1428 NH1 ARG A 49 -25.777 -7.455 1.248 1.00 3.06 N ATOM 1429 NH2 ARG A 49 -26.169 -5.320 0.519 1.00 3.24 N ATOM 0 H ARG A 49 -22.013 -8.002 -4.278 1.00 0.73 H new ATOM 0 HA ARG A 49 -23.848 -5.896 -5.179 1.00 0.70 H new ATOM 0 HB2 ARG A 49 -25.200 -6.693 -3.241 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -24.821 -7.997 -4.348 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -23.560 -9.118 -2.814 1.00 1.10 H new ATOM 0 HG3 ARG A 49 -22.832 -7.655 -2.181 1.00 1.10 H new ATOM 0 HD2 ARG A 49 -25.568 -8.791 -1.514 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -24.194 -8.626 -0.439 1.00 1.54 H new ATOM 0 HE ARG A 49 -25.076 -6.075 -1.567 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -25.408 -8.392 1.085 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -26.194 -7.221 2.149 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -26.104 -4.606 -0.206 1.00 3.24 H new ATOM 0 HH22 ARG A 49 -26.585 -5.093 1.422 1.00 3.24 H new ATOM 1443 N THR A 50 -21.833 -4.639 -3.745 1.00 0.55 N ATOM 1444 CA THR A 50 -21.225 -3.704 -2.829 1.00 0.50 C ATOM 1445 C THR A 50 -22.061 -2.454 -2.653 1.00 0.50 C ATOM 1446 O THR A 50 -22.033 -1.531 -3.469 1.00 0.56 O ATOM 1447 CB THR A 50 -19.814 -3.357 -3.269 1.00 0.54 C ATOM 1448 OG1 THR A 50 -19.558 -3.990 -4.529 1.00 0.91 O ATOM 1449 CG2 THR A 50 -18.829 -3.837 -2.219 1.00 0.51 C ATOM 0 H THR A 50 -21.399 -4.686 -4.667 1.00 0.55 H new ATOM 0 HA THR A 50 -21.172 -4.193 -1.856 1.00 0.50 H new ATOM 0 HB THR A 50 -19.703 -2.278 -3.381 1.00 0.54 H new ATOM 0 HG1 THR A 50 -19.669 -3.337 -5.252 1.00 0.91 H new ATOM 0 HG21 THR A 50 -17.815 -3.590 -2.532 1.00 0.51 H new ATOM 0 HG22 THR A 50 -19.045 -3.350 -1.268 1.00 0.51 H new ATOM 0 HG23 THR A 50 -18.919 -4.917 -2.102 1.00 0.51 H new ATOM 1457 N ASP A 51 -22.811 -2.464 -1.571 1.00 0.49 N ATOM 1458 CA ASP A 51 -23.645 -1.343 -1.180 1.00 0.51 C ATOM 1459 C ASP A 51 -22.975 -0.605 -0.038 1.00 0.44 C ATOM 1460 O ASP A 51 -21.809 -0.866 0.274 1.00 0.43 O ATOM 1461 CB ASP A 51 -25.024 -1.827 -0.717 1.00 0.60 C ATOM 1462 CG ASP A 51 -25.793 -2.578 -1.781 1.00 1.15 C ATOM 1463 OD1 ASP A 51 -26.328 -1.932 -2.704 1.00 1.94 O ATOM 1464 OD2 ASP A 51 -25.886 -3.819 -1.684 1.00 1.72 O ATOM 0 H ASP A 51 -22.860 -3.257 -0.931 1.00 0.49 H new ATOM 0 HA ASP A 51 -23.773 -0.685 -2.040 1.00 0.51 H new ATOM 0 HB2 ASP A 51 -24.900 -2.472 0.153 1.00 0.60 H new ATOM 0 HB3 ASP A 51 -25.612 -0.967 -0.395 1.00 0.60 H new ATOM 1469 N GLU A 52 -23.718 0.279 0.612 1.00 0.47 N ATOM 1470 CA GLU A 52 -23.211 0.988 1.777 1.00 0.46 C ATOM 1471 C GLU A 52 -22.928 -0.003 2.906 1.00 0.46 C ATOM 1472 O GLU A 52 -22.161 0.283 3.813 1.00 0.46 O ATOM 1473 CB GLU A 52 -24.222 2.041 2.242 1.00 0.49 C ATOM 1474 CG GLU A 52 -24.632 3.022 1.155 1.00 0.52 C ATOM 1475 CD GLU A 52 -23.531 3.982 0.765 1.00 0.71 C ATOM 1476 OE1 GLU A 52 -23.443 5.070 1.373 1.00 1.44 O ATOM 1477 OE2 GLU A 52 -22.782 3.674 -0.178 1.00 1.27 O ATOM 0 H GLU A 52 -24.674 0.522 0.352 1.00 0.47 H new ATOM 0 HA GLU A 52 -22.284 1.493 1.505 1.00 0.46 H new ATOM 0 HB2 GLU A 52 -25.112 1.536 2.617 1.00 0.49 H new ATOM 0 HB3 GLU A 52 -23.795 2.596 3.077 1.00 0.49 H new ATOM 0 HG2 GLU A 52 -24.947 2.464 0.273 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -25.496 3.592 1.497 1.00 0.52 H new ATOM 1484 N ALA A 53 -23.553 -1.178 2.824 1.00 0.52 N ATOM 1485 CA ALA A 53 -23.358 -2.238 3.809 1.00 0.58 C ATOM 1486 C ALA A 53 -21.917 -2.751 3.812 1.00 0.57 C ATOM 1487 O ALA A 53 -21.238 -2.702 4.838 1.00 0.68 O ATOM 1488 CB ALA A 53 -24.324 -3.380 3.541 1.00 0.65 C ATOM 0 H ALA A 53 -24.204 -1.419 2.077 1.00 0.52 H new ATOM 0 HA ALA A 53 -23.559 -1.819 4.795 1.00 0.58 H new ATOM 0 HB1 ALA A 53 -24.172 -4.166 4.280 1.00 0.65 H new ATOM 0 HB2 ALA A 53 -25.348 -3.013 3.607 1.00 0.65 H new ATOM 0 HB3 ALA A 53 -24.146 -3.781 2.543 1.00 0.65 H new ATOM 1494 N ALA A 54 -21.444 -3.234 2.660 1.00 0.49 N ATOM 1495 CA ALA A 54 -20.083 -3.764 2.559 1.00 0.50 C ATOM 1496 C ALA A 54 -19.066 -2.653 2.796 1.00 0.45 C ATOM 1497 O ALA A 54 -18.031 -2.860 3.431 1.00 0.52 O ATOM 1498 CB ALA A 54 -19.840 -4.416 1.204 1.00 0.49 C ATOM 0 H ALA A 54 -21.978 -3.269 1.792 1.00 0.49 H new ATOM 0 HA ALA A 54 -19.964 -4.529 3.327 1.00 0.50 H new ATOM 0 HB1 ALA A 54 -18.820 -4.799 1.162 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -20.542 -5.238 1.064 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -19.983 -3.678 0.414 1.00 0.49 H new ATOM 1504 N PHE A 55 -19.389 -1.466 2.294 1.00 0.36 N ATOM 1505 CA PHE A 55 -18.514 -0.308 2.422 1.00 0.32 C ATOM 1506 C PHE A 55 -18.486 0.226 3.847 1.00 0.34 C ATOM 1507 O PHE A 55 -17.535 0.895 4.241 1.00 0.34 O ATOM 1508 CB PHE A 55 -18.951 0.796 1.462 1.00 0.31 C ATOM 1509 CG PHE A 55 -18.381 0.636 0.084 1.00 0.28 C ATOM 1510 CD1 PHE A 55 -17.162 1.202 -0.235 1.00 1.20 C ATOM 1511 CD2 PHE A 55 -19.056 -0.088 -0.886 1.00 1.20 C ATOM 1512 CE1 PHE A 55 -16.624 1.054 -1.494 1.00 1.21 C ATOM 1513 CE2 PHE A 55 -18.522 -0.240 -2.150 1.00 1.20 C ATOM 1514 CZ PHE A 55 -17.304 0.333 -2.454 1.00 0.31 C ATOM 0 H PHE A 55 -20.257 -1.281 1.791 1.00 0.36 H new ATOM 0 HA PHE A 55 -17.505 -0.632 2.167 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -20.039 0.806 1.400 1.00 0.31 H new ATOM 0 HB3 PHE A 55 -18.646 1.762 1.865 1.00 0.31 H new ATOM 0 HD1 PHE A 55 -16.624 1.767 0.512 1.00 1.20 H new ATOM 0 HD2 PHE A 55 -20.009 -0.538 -0.651 1.00 1.20 H new ATOM 0 HE1 PHE A 55 -15.670 1.502 -1.730 1.00 1.21 H new ATOM 0 HE2 PHE A 55 -19.056 -0.806 -2.899 1.00 1.20 H new ATOM 0 HZ PHE A 55 -16.884 0.217 -3.442 1.00 0.31 H new ATOM 1524 N GLN A 56 -19.520 -0.083 4.618 1.00 0.37 N ATOM 1525 CA GLN A 56 -19.638 0.422 5.978 1.00 0.40 C ATOM 1526 C GLN A 56 -18.532 -0.134 6.864 1.00 0.37 C ATOM 1527 O GLN A 56 -17.946 0.593 7.662 1.00 0.42 O ATOM 1528 CB GLN A 56 -21.007 0.072 6.563 1.00 0.46 C ATOM 1529 CG GLN A 56 -21.354 0.853 7.820 1.00 0.58 C ATOM 1530 CD GLN A 56 -22.753 0.552 8.325 1.00 0.68 C ATOM 1531 OE1 GLN A 56 -23.208 -0.674 8.120 1.00 1.42 O flip ATOM 1532 NE2 GLN A 56 -23.416 1.412 8.903 1.00 1.00 N flip ATOM 0 H GLN A 56 -20.291 -0.683 4.323 1.00 0.37 H new ATOM 0 HA GLN A 56 -19.537 1.507 5.943 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -21.772 0.257 5.809 1.00 0.46 H new ATOM 0 HB3 GLN A 56 -21.033 -0.994 6.790 1.00 0.46 H new ATOM 0 HG2 GLN A 56 -20.631 0.618 8.601 1.00 0.58 H new ATOM 0 HG3 GLN A 56 -21.267 1.920 7.616 1.00 0.58 H new ATOM 0 HE21 GLN A 56 -23.030 2.346 9.042 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -24.352 1.191 9.244 1.00 1.00 H new ATOM 1541 N LYS A 57 -18.227 -1.420 6.717 1.00 0.34 N ATOM 1542 CA LYS A 57 -17.197 -2.032 7.541 1.00 0.35 C ATOM 1543 C LYS A 57 -15.827 -1.795 6.930 1.00 0.29 C ATOM 1544 O LYS A 57 -14.817 -1.798 7.629 1.00 0.34 O ATOM 1545 CB LYS A 57 -17.459 -3.521 7.752 1.00 0.47 C ATOM 1546 CG LYS A 57 -17.270 -3.948 9.199 1.00 0.85 C ATOM 1547 CD LYS A 57 -15.802 -4.055 9.589 1.00 0.57 C ATOM 1548 CE LYS A 57 -15.618 -3.893 11.088 1.00 0.63 C ATOM 1549 NZ LYS A 57 -14.465 -4.677 11.595 1.00 0.92 N ATOM 0 H LYS A 57 -18.671 -2.047 6.046 1.00 0.34 H new ATOM 0 HA LYS A 57 -17.223 -1.561 8.524 1.00 0.35 H new ATOM 0 HB2 LYS A 57 -18.476 -3.755 7.438 1.00 0.47 H new ATOM 0 HB3 LYS A 57 -16.788 -4.098 7.116 1.00 0.47 H new ATOM 0 HG2 LYS A 57 -17.765 -3.231 9.854 1.00 0.85 H new ATOM 0 HG3 LYS A 57 -17.755 -4.911 9.356 1.00 0.85 H new ATOM 0 HD2 LYS A 57 -15.409 -5.022 9.274 1.00 0.57 H new ATOM 0 HD3 LYS A 57 -15.227 -3.291 9.065 1.00 0.57 H new ATOM 0 HE2 LYS A 57 -15.471 -2.839 11.323 1.00 0.63 H new ATOM 0 HE3 LYS A 57 -16.526 -4.211 11.601 1.00 0.63 H new ATOM 0 HZ1 LYS A 57 -14.485 -4.690 12.635 1.00 0.92 H new ATOM 0 HZ2 LYS A 57 -14.522 -5.651 11.235 1.00 0.92 H new ATOM 0 HZ3 LYS A 57 -13.579 -4.240 11.271 1.00 0.92 H new ATOM 1563 N LEU A 58 -15.798 -1.584 5.621 1.00 0.24 N ATOM 1564 CA LEU A 58 -14.600 -1.090 4.964 1.00 0.20 C ATOM 1565 C LEU A 58 -14.211 0.231 5.598 1.00 0.20 C ATOM 1566 O LEU A 58 -13.157 0.338 6.213 1.00 0.22 O ATOM 1567 CB LEU A 58 -14.849 -0.916 3.465 1.00 0.20 C ATOM 1568 CG LEU A 58 -13.758 -0.162 2.707 1.00 0.19 C ATOM 1569 CD1 LEU A 58 -12.390 -0.742 3.018 1.00 0.20 C ATOM 1570 CD2 LEU A 58 -14.038 -0.197 1.212 1.00 0.23 C ATOM 0 H LEU A 58 -16.588 -1.747 4.997 1.00 0.24 H new ATOM 0 HA LEU A 58 -13.788 -1.807 5.086 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -14.966 -1.902 3.016 1.00 0.20 H new ATOM 0 HB3 LEU A 58 -15.794 -0.390 3.329 1.00 0.20 H new ATOM 0 HG LEU A 58 -13.761 0.878 3.033 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -11.627 -0.191 2.468 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -12.195 -0.662 4.087 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -12.364 -1.791 2.722 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -13.254 0.344 0.682 1.00 0.23 H new ATOM 0 HD22 LEU A 58 -14.060 -1.232 0.870 1.00 0.23 H new ATOM 0 HD23 LEU A 58 -15.001 0.272 1.011 1.00 0.23 H new ATOM 1582 N MET A 59 -15.086 1.214 5.436 1.00 0.21 N ATOM 1583 CA MET A 59 -14.984 2.500 6.110 1.00 0.26 C ATOM 1584 C MET A 59 -14.625 2.337 7.584 1.00 0.27 C ATOM 1585 O MET A 59 -13.721 2.990 8.081 1.00 0.33 O ATOM 1586 CB MET A 59 -16.322 3.228 6.001 1.00 0.36 C ATOM 1587 CG MET A 59 -16.168 4.721 5.866 1.00 0.34 C ATOM 1588 SD MET A 59 -15.362 5.150 4.321 1.00 0.72 S ATOM 1589 CE MET A 59 -14.651 6.717 4.768 1.00 0.32 C ATOM 0 H MET A 59 -15.898 1.139 4.824 1.00 0.21 H new ATOM 0 HA MET A 59 -14.191 3.073 5.629 1.00 0.26 H new ATOM 0 HB2 MET A 59 -16.869 2.845 5.140 1.00 0.36 H new ATOM 0 HB3 MET A 59 -16.923 3.008 6.884 1.00 0.36 H new ATOM 0 HG2 MET A 59 -17.148 5.197 5.913 1.00 0.34 H new ATOM 0 HG3 MET A 59 -15.586 5.107 6.703 1.00 0.34 H new ATOM 0 HE1 MET A 59 -13.927 7.018 4.010 1.00 0.32 H new ATOM 0 HE2 MET A 59 -15.438 7.468 4.836 1.00 0.32 H new ATOM 0 HE3 MET A 59 -14.151 6.628 5.732 1.00 0.32 H new ATOM 1599 N SER A 60 -15.352 1.462 8.261 1.00 0.28 N ATOM 1600 CA SER A 60 -15.154 1.200 9.688 1.00 0.35 C ATOM 1601 C SER A 60 -13.713 0.798 9.997 1.00 0.32 C ATOM 1602 O SER A 60 -13.043 1.426 10.817 1.00 0.36 O ATOM 1603 CB SER A 60 -16.086 0.078 10.130 1.00 0.41 C ATOM 1604 OG SER A 60 -16.026 -0.137 11.528 1.00 0.64 O ATOM 0 H SER A 60 -16.099 0.909 7.840 1.00 0.28 H new ATOM 0 HA SER A 60 -15.375 2.120 10.229 1.00 0.35 H new ATOM 0 HB2 SER A 60 -17.109 0.322 9.844 1.00 0.41 H new ATOM 0 HB3 SER A 60 -15.820 -0.842 9.609 1.00 0.41 H new ATOM 0 HG SER A 60 -16.638 -0.862 11.774 1.00 0.64 H new ATOM 1610 N ASN A 61 -13.257 -0.267 9.349 1.00 0.30 N ATOM 1611 CA ASN A 61 -11.904 -0.775 9.549 1.00 0.31 C ATOM 1612 C ASN A 61 -10.887 0.251 9.099 1.00 0.31 C ATOM 1613 O ASN A 61 -9.880 0.494 9.765 1.00 0.39 O ATOM 1614 CB ASN A 61 -11.714 -2.059 8.754 1.00 0.34 C ATOM 1615 CG ASN A 61 -12.308 -3.275 9.425 1.00 0.43 C ATOM 1616 OD1 ASN A 61 -12.395 -3.341 10.648 1.00 0.95 O ATOM 1617 ND2 ASN A 61 -12.701 -4.259 8.631 1.00 0.57 N ATOM 0 H ASN A 61 -13.808 -0.799 8.676 1.00 0.30 H new ATOM 0 HA ASN A 61 -11.759 -0.978 10.610 1.00 0.31 H new ATOM 0 HB2 ASN A 61 -12.167 -1.939 7.770 1.00 0.34 H new ATOM 0 HB3 ASN A 61 -10.648 -2.225 8.596 1.00 0.34 H new ATOM 0 HD21 ASN A 61 -13.093 -5.111 9.031 1.00 0.57 H new ATOM 0 HD22 ASN A 61 -12.612 -4.165 7.619 1.00 0.57 H new ATOM 1624 N LEU A 62 -11.182 0.834 7.956 1.00 0.30 N ATOM 1625 CA LEU A 62 -10.334 1.846 7.335 1.00 0.33 C ATOM 1626 C LEU A 62 -10.103 3.036 8.256 1.00 0.33 C ATOM 1627 O LEU A 62 -8.966 3.408 8.529 1.00 0.38 O ATOM 1628 CB LEU A 62 -10.992 2.332 6.046 1.00 0.37 C ATOM 1629 CG LEU A 62 -10.050 2.483 4.867 1.00 0.24 C ATOM 1630 CD1 LEU A 62 -9.226 1.229 4.734 1.00 0.52 C ATOM 1631 CD2 LEU A 62 -10.825 2.736 3.587 1.00 0.28 C ATOM 0 H LEU A 62 -12.024 0.621 7.422 1.00 0.30 H new ATOM 0 HA LEU A 62 -9.367 1.389 7.126 1.00 0.33 H new ATOM 0 HB2 LEU A 62 -11.783 1.634 5.773 1.00 0.37 H new ATOM 0 HB3 LEU A 62 -11.468 3.294 6.238 1.00 0.37 H new ATOM 0 HG LEU A 62 -9.397 3.338 5.039 1.00 0.24 H new ATOM 0 HD11 LEU A 62 -8.546 1.329 3.888 1.00 0.52 H new ATOM 0 HD12 LEU A 62 -8.650 1.073 5.646 1.00 0.52 H new ATOM 0 HD13 LEU A 62 -9.885 0.376 4.571 1.00 0.52 H new ATOM 0 HD21 LEU A 62 -10.129 2.841 2.755 1.00 0.28 H new ATOM 0 HD22 LEU A 62 -11.495 1.898 3.396 1.00 0.28 H new ATOM 0 HD23 LEU A 62 -11.408 3.651 3.690 1.00 0.28 H new ATOM 1643 N ASP A 63 -11.201 3.619 8.711 1.00 0.37 N ATOM 1644 CA ASP A 63 -11.184 4.834 9.516 1.00 0.43 C ATOM 1645 C ASP A 63 -10.369 4.657 10.795 1.00 0.38 C ATOM 1646 O ASP A 63 -10.862 4.148 11.804 1.00 0.43 O ATOM 1647 CB ASP A 63 -12.627 5.230 9.830 1.00 0.56 C ATOM 1648 CG ASP A 63 -12.742 6.409 10.759 1.00 0.85 C ATOM 1649 OD1 ASP A 63 -12.027 7.411 10.569 1.00 1.35 O ATOM 1650 OD2 ASP A 63 -13.587 6.354 11.673 1.00 1.56 O ATOM 0 H ASP A 63 -12.139 3.260 8.531 1.00 0.37 H new ATOM 0 HA ASP A 63 -10.698 5.629 8.951 1.00 0.43 H new ATOM 0 HB2 ASP A 63 -13.142 5.462 8.898 1.00 0.56 H new ATOM 0 HB3 ASP A 63 -13.140 4.377 10.274 1.00 0.56 H new ATOM 1655 N SER A 64 -9.111 5.068 10.732 1.00 0.37 N ATOM 1656 CA SER A 64 -8.184 4.900 11.837 1.00 0.41 C ATOM 1657 C SER A 64 -8.213 6.117 12.755 1.00 0.52 C ATOM 1658 O SER A 64 -7.791 6.051 13.911 1.00 0.64 O ATOM 1659 CB SER A 64 -6.772 4.670 11.293 1.00 0.45 C ATOM 1660 OG SER A 64 -6.318 5.786 10.542 1.00 0.58 O ATOM 0 H SER A 64 -8.707 5.526 9.915 1.00 0.37 H new ATOM 0 HA SER A 64 -8.486 4.031 12.422 1.00 0.41 H new ATOM 0 HB2 SER A 64 -6.088 4.484 12.121 1.00 0.45 H new ATOM 0 HB3 SER A 64 -6.763 3.779 10.665 1.00 0.45 H new ATOM 0 HG SER A 64 -7.061 6.409 10.399 1.00 0.58 H new ATOM 1666 N ASN A 65 -8.720 7.229 12.234 1.00 0.60 N ATOM 1667 CA ASN A 65 -8.798 8.467 13.003 1.00 0.83 C ATOM 1668 C ASN A 65 -10.149 8.567 13.708 1.00 0.89 C ATOM 1669 O ASN A 65 -10.369 9.452 14.537 1.00 1.10 O ATOM 1670 CB ASN A 65 -8.560 9.683 12.097 1.00 0.95 C ATOM 1671 CG ASN A 65 -9.687 9.925 11.110 1.00 0.99 C ATOM 1672 OD1 ASN A 65 -10.604 10.694 11.381 1.00 1.52 O ATOM 1673 ND2 ASN A 65 -9.626 9.277 9.957 1.00 1.44 N ATOM 0 H ASN A 65 -9.083 7.299 11.283 1.00 0.60 H new ATOM 0 HA ASN A 65 -8.015 8.456 13.762 1.00 0.83 H new ATOM 0 HB2 ASN A 65 -8.433 10.570 12.717 1.00 0.95 H new ATOM 0 HB3 ASN A 65 -7.629 9.542 11.548 1.00 0.95 H new ATOM 0 HD21 ASN A 65 -10.357 9.409 9.258 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -8.848 8.646 9.767 1.00 1.44 H new ATOM 1680 N ARG A 66 -11.043 7.641 13.361 1.00 0.79 N ATOM 1681 CA ARG A 66 -12.354 7.504 14.001 1.00 0.98 C ATOM 1682 C ARG A 66 -13.246 8.719 13.752 1.00 1.05 C ATOM 1683 O ARG A 66 -13.831 9.280 14.681 1.00 1.34 O ATOM 1684 CB ARG A 66 -12.225 7.215 15.505 1.00 1.26 C ATOM 1685 CG ARG A 66 -11.905 5.756 15.819 1.00 1.46 C ATOM 1686 CD ARG A 66 -10.486 5.385 15.422 1.00 1.25 C ATOM 1687 NE ARG A 66 -10.306 3.940 15.285 1.00 1.91 N ATOM 1688 CZ ARG A 66 -9.242 3.269 15.724 1.00 2.60 C ATOM 1689 NH1 ARG A 66 -8.306 3.881 16.445 1.00 2.85 N ATOM 1690 NH2 ARG A 66 -9.122 1.976 15.457 1.00 3.45 N ATOM 0 H ARG A 66 -10.877 6.958 12.621 1.00 0.79 H new ATOM 0 HA ARG A 66 -12.838 6.645 13.537 1.00 0.98 H new ATOM 0 HB2 ARG A 66 -11.443 7.848 15.923 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -13.156 7.489 16.001 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -12.041 5.577 16.885 1.00 1.46 H new ATOM 0 HG3 ARG A 66 -12.609 5.110 15.294 1.00 1.46 H new ATOM 0 HD2 ARG A 66 -10.237 5.871 14.479 1.00 1.25 H new ATOM 0 HD3 ARG A 66 -9.791 5.766 16.170 1.00 1.25 H new ATOM 0 HE ARG A 66 -11.045 3.410 14.822 1.00 1.91 H new ATOM 0 HH11 ARG A 66 -8.400 4.872 16.666 1.00 2.85 H new ATOM 0 HH12 ARG A 66 -7.495 3.359 16.777 1.00 2.85 H new ATOM 0 HH21 ARG A 66 -9.843 1.498 14.917 1.00 3.45 H new ATOM 0 HH22 ARG A 66 -8.309 1.459 15.792 1.00 3.45 H new ATOM 1704 N ASP A 67 -13.350 9.118 12.490 1.00 0.86 N ATOM 1705 CA ASP A 67 -14.274 10.179 12.096 1.00 1.00 C ATOM 1706 C ASP A 67 -15.099 9.740 10.887 1.00 0.88 C ATOM 1707 O ASP A 67 -15.967 10.473 10.412 1.00 0.94 O ATOM 1708 CB ASP A 67 -13.513 11.467 11.775 1.00 1.13 C ATOM 1709 CG ASP A 67 -14.401 12.695 11.810 1.00 1.57 C ATOM 1710 OD1 ASP A 67 -14.715 13.169 12.921 1.00 2.08 O ATOM 1711 OD2 ASP A 67 -14.779 13.199 10.734 1.00 2.02 O ATOM 0 H ASP A 67 -12.807 8.724 11.721 1.00 0.86 H new ATOM 0 HA ASP A 67 -14.947 10.375 12.931 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -12.700 11.591 12.490 1.00 1.13 H new ATOM 0 HB3 ASP A 67 -13.059 11.380 10.788 1.00 1.13 H new ATOM 1716 N ASN A 68 -14.829 8.522 10.416 1.00 0.77 N ATOM 1717 CA ASN A 68 -15.463 7.965 9.215 1.00 0.74 C ATOM 1718 C ASN A 68 -15.066 8.742 7.968 1.00 0.65 C ATOM 1719 O ASN A 68 -15.809 8.791 6.986 1.00 0.66 O ATOM 1720 CB ASN A 68 -16.991 7.903 9.351 1.00 0.92 C ATOM 1721 CG ASN A 68 -17.455 6.727 10.194 1.00 1.13 C ATOM 1722 OD1 ASN A 68 -16.693 5.639 10.173 1.00 1.54 O flip ATOM 1723 ND2 ASN A 68 -18.491 6.791 10.854 1.00 1.75 N flip ATOM 0 H ASN A 68 -14.162 7.889 10.857 1.00 0.77 H new ATOM 0 HA ASN A 68 -15.099 6.943 9.110 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -17.350 8.830 9.798 1.00 0.92 H new ATOM 0 HB3 ASN A 68 -17.438 7.833 8.359 1.00 0.92 H new ATOM 0 HD21 ASN A 68 -19.050 7.644 10.845 1.00 1.75 H new ATOM 0 HD22 ASN A 68 -18.791 5.991 11.411 1.00 1.75 H new ATOM 1730 N GLU A 69 -13.877 9.323 8.010 1.00 0.64 N ATOM 1731 CA GLU A 69 -13.309 10.011 6.863 1.00 0.63 C ATOM 1732 C GLU A 69 -11.913 9.472 6.601 1.00 0.54 C ATOM 1733 O GLU A 69 -11.048 9.530 7.475 1.00 0.65 O ATOM 1734 CB GLU A 69 -13.230 11.520 7.093 1.00 0.82 C ATOM 1735 CG GLU A 69 -14.568 12.187 7.340 1.00 0.95 C ATOM 1736 CD GLU A 69 -14.460 13.696 7.334 1.00 1.13 C ATOM 1737 OE1 GLU A 69 -13.442 14.229 7.825 1.00 1.65 O ATOM 1738 OE2 GLU A 69 -15.391 14.361 6.834 1.00 1.59 O ATOM 0 H GLU A 69 -13.281 9.331 8.838 1.00 0.64 H new ATOM 0 HA GLU A 69 -13.957 9.833 6.005 1.00 0.63 H new ATOM 0 HB2 GLU A 69 -12.579 11.711 7.946 1.00 0.82 H new ATOM 0 HB3 GLU A 69 -12.762 11.983 6.225 1.00 0.82 H new ATOM 0 HG2 GLU A 69 -15.277 11.871 6.575 1.00 0.95 H new ATOM 0 HG3 GLU A 69 -14.966 11.856 8.299 1.00 0.95 H new ATOM 1745 N VAL A 70 -11.697 8.943 5.411 1.00 0.40 N ATOM 1746 CA VAL A 70 -10.405 8.379 5.069 1.00 0.31 C ATOM 1747 C VAL A 70 -9.478 9.443 4.515 1.00 0.33 C ATOM 1748 O VAL A 70 -9.674 9.953 3.408 1.00 0.39 O ATOM 1749 CB VAL A 70 -10.537 7.221 4.059 1.00 0.28 C ATOM 1750 CG1 VAL A 70 -9.185 6.780 3.518 1.00 0.32 C ATOM 1751 CG2 VAL A 70 -11.243 6.051 4.709 1.00 0.29 C ATOM 0 H VAL A 70 -12.395 8.892 4.669 1.00 0.40 H new ATOM 0 HA VAL A 70 -9.977 7.981 5.989 1.00 0.31 H new ATOM 0 HB VAL A 70 -11.125 7.582 3.215 1.00 0.28 H new ATOM 0 HG11 VAL A 70 -9.325 5.963 2.810 1.00 0.32 H new ATOM 0 HG12 VAL A 70 -8.704 7.618 3.014 1.00 0.32 H new ATOM 0 HG13 VAL A 70 -8.556 6.443 4.342 1.00 0.32 H new ATOM 0 HG21 VAL A 70 -11.333 5.236 3.991 1.00 0.29 H new ATOM 0 HG22 VAL A 70 -10.668 5.713 5.571 1.00 0.29 H new ATOM 0 HG23 VAL A 70 -12.236 6.360 5.034 1.00 0.29 H new ATOM 1761 N ASP A 71 -8.495 9.803 5.320 1.00 0.36 N ATOM 1762 CA ASP A 71 -7.409 10.646 4.867 1.00 0.40 C ATOM 1763 C ASP A 71 -6.436 9.761 4.102 1.00 0.32 C ATOM 1764 O ASP A 71 -6.667 8.558 3.988 1.00 0.29 O ATOM 1765 CB ASP A 71 -6.717 11.307 6.064 1.00 0.49 C ATOM 1766 CG ASP A 71 -5.839 12.474 5.663 1.00 0.61 C ATOM 1767 OD1 ASP A 71 -6.353 13.610 5.621 1.00 1.32 O ATOM 1768 OD2 ASP A 71 -4.641 12.257 5.392 1.00 1.22 O ATOM 0 H ASP A 71 -8.429 9.521 6.298 1.00 0.36 H new ATOM 0 HA ASP A 71 -7.780 11.444 4.223 1.00 0.40 H new ATOM 0 HB2 ASP A 71 -7.473 11.652 6.770 1.00 0.49 H new ATOM 0 HB3 ASP A 71 -6.112 10.564 6.584 1.00 0.49 H new ATOM 1773 N PHE A 72 -5.354 10.315 3.593 1.00 0.36 N ATOM 1774 CA PHE A 72 -4.408 9.505 2.852 1.00 0.36 C ATOM 1775 C PHE A 72 -3.777 8.463 3.771 1.00 0.30 C ATOM 1776 O PHE A 72 -3.334 7.404 3.326 1.00 0.39 O ATOM 1777 CB PHE A 72 -3.331 10.354 2.194 1.00 0.51 C ATOM 1778 CG PHE A 72 -2.554 9.554 1.207 1.00 0.58 C ATOM 1779 CD1 PHE A 72 -3.224 8.745 0.308 1.00 1.26 C ATOM 1780 CD2 PHE A 72 -1.175 9.575 1.191 1.00 1.38 C ATOM 1781 CE1 PHE A 72 -2.537 7.965 -0.587 1.00 1.29 C ATOM 1782 CE2 PHE A 72 -0.483 8.806 0.287 1.00 1.46 C ATOM 1783 CZ PHE A 72 -1.156 7.999 -0.596 1.00 0.78 C ATOM 0 H PHE A 72 -5.111 11.302 3.676 1.00 0.36 H new ATOM 0 HA PHE A 72 -4.955 8.998 2.057 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -3.789 11.208 1.696 1.00 0.51 H new ATOM 0 HB3 PHE A 72 -2.660 10.751 2.955 1.00 0.51 H new ATOM 0 HD1 PHE A 72 -4.304 8.727 0.310 1.00 1.26 H new ATOM 0 HD2 PHE A 72 -0.638 10.198 1.891 1.00 1.38 H new ATOM 0 HE1 PHE A 72 -3.071 7.330 -1.278 1.00 1.29 H new ATOM 0 HE2 PHE A 72 0.596 8.837 0.271 1.00 1.46 H new ATOM 0 HZ PHE A 72 -0.606 7.390 -1.298 1.00 0.78 H new ATOM 1793 N GLN A 73 -3.775 8.774 5.058 1.00 0.30 N ATOM 1794 CA GLN A 73 -3.282 7.871 6.085 1.00 0.41 C ATOM 1795 C GLN A 73 -3.942 6.499 5.964 1.00 0.38 C ATOM 1796 O GLN A 73 -3.269 5.499 5.695 1.00 0.44 O ATOM 1797 CB GLN A 73 -3.565 8.451 7.474 1.00 0.61 C ATOM 1798 CG GLN A 73 -3.055 9.872 7.679 1.00 0.85 C ATOM 1799 CD GLN A 73 -1.558 9.954 7.930 1.00 0.83 C ATOM 1800 OE1 GLN A 73 -0.799 9.010 7.396 1.00 1.20 O flip ATOM 1801 NE2 GLN A 73 -1.089 10.868 8.606 1.00 1.48 N flip ATOM 0 H GLN A 73 -4.117 9.664 5.421 1.00 0.30 H new ATOM 0 HA GLN A 73 -2.207 7.757 5.949 1.00 0.41 H new ATOM 0 HB2 GLN A 73 -4.641 8.435 7.648 1.00 0.61 H new ATOM 0 HB3 GLN A 73 -3.111 7.803 8.224 1.00 0.61 H new ATOM 0 HG2 GLN A 73 -3.300 10.467 6.799 1.00 0.85 H new ATOM 0 HG3 GLN A 73 -3.581 10.319 8.523 1.00 0.85 H new ATOM 0 HE21 GLN A 73 -1.705 11.578 9.002 1.00 1.48 H new ATOM 0 HE22 GLN A 73 -0.084 10.916 8.771 1.00 1.48 H new ATOM 1810 N GLU A 74 -5.261 6.451 6.134 1.00 0.34 N ATOM 1811 CA GLU A 74 -5.974 5.185 6.099 1.00 0.37 C ATOM 1812 C GLU A 74 -6.165 4.707 4.667 1.00 0.32 C ATOM 1813 O GLU A 74 -6.575 3.574 4.428 1.00 0.36 O ATOM 1814 CB GLU A 74 -7.325 5.267 6.824 1.00 0.44 C ATOM 1815 CG GLU A 74 -7.956 6.649 6.855 1.00 0.52 C ATOM 1816 CD GLU A 74 -7.518 7.465 8.049 1.00 0.58 C ATOM 1817 OE1 GLU A 74 -8.032 7.227 9.164 1.00 1.16 O ATOM 1818 OE2 GLU A 74 -6.652 8.344 7.883 1.00 1.29 O ATOM 0 H GLU A 74 -5.850 7.268 6.296 1.00 0.34 H new ATOM 0 HA GLU A 74 -5.360 4.457 6.629 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -8.020 4.578 6.344 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -7.191 4.922 7.849 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -7.696 7.183 5.941 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -9.041 6.548 6.868 1.00 0.52 H new ATOM 1825 N TYR A 75 -5.846 5.566 3.716 1.00 0.26 N ATOM 1826 CA TYR A 75 -5.937 5.213 2.312 1.00 0.25 C ATOM 1827 C TYR A 75 -4.753 4.325 1.913 1.00 0.24 C ATOM 1828 O TYR A 75 -4.900 3.383 1.134 1.00 0.28 O ATOM 1829 CB TYR A 75 -5.979 6.481 1.461 1.00 0.25 C ATOM 1830 CG TYR A 75 -6.373 6.244 0.025 1.00 0.26 C ATOM 1831 CD1 TYR A 75 -5.497 5.635 -0.867 1.00 1.27 C ATOM 1832 CD2 TYR A 75 -7.624 6.629 -0.438 1.00 1.17 C ATOM 1833 CE1 TYR A 75 -5.855 5.414 -2.180 1.00 1.30 C ATOM 1834 CE2 TYR A 75 -7.988 6.410 -1.755 1.00 1.17 C ATOM 1835 CZ TYR A 75 -7.098 5.803 -2.620 1.00 0.38 C ATOM 1836 OH TYR A 75 -7.451 5.586 -3.930 1.00 0.47 O ATOM 0 H TYR A 75 -5.520 6.516 3.892 1.00 0.26 H new ATOM 0 HA TYR A 75 -6.855 4.651 2.141 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.682 7.183 1.909 1.00 0.25 H new ATOM 0 HB3 TYR A 75 -4.997 6.954 1.484 1.00 0.25 H new ATOM 0 HD1 TYR A 75 -4.519 5.330 -0.525 1.00 1.27 H new ATOM 0 HD2 TYR A 75 -8.320 7.104 0.237 1.00 1.17 H new ATOM 0 HE1 TYR A 75 -5.163 4.938 -2.859 1.00 1.30 H new ATOM 0 HE2 TYR A 75 -8.964 6.712 -2.105 1.00 1.17 H new ATOM 0 HH TYR A 75 -6.709 5.152 -4.401 1.00 0.47 H new ATOM 1846 N CYS A 76 -3.579 4.626 2.453 1.00 0.22 N ATOM 1847 CA CYS A 76 -2.395 3.807 2.213 1.00 0.21 C ATOM 1848 C CYS A 76 -2.579 2.414 2.773 1.00 0.15 C ATOM 1849 O CYS A 76 -2.270 1.417 2.111 1.00 0.17 O ATOM 1850 CB CYS A 76 -1.168 4.459 2.835 1.00 0.27 C ATOM 1851 SG CYS A 76 -0.819 6.102 2.190 1.00 1.65 S ATOM 0 H CYS A 76 -3.420 5.430 3.060 1.00 0.22 H new ATOM 0 HA CYS A 76 -2.250 3.729 1.136 1.00 0.21 H new ATOM 0 HB2 CYS A 76 -1.309 4.524 3.914 1.00 0.27 H new ATOM 0 HB3 CYS A 76 -0.302 3.820 2.665 1.00 0.27 H new ATOM 0 HG CYS A 76 -1.773 6.915 2.534 1.00 1.65 H new ATOM 1857 N VAL A 77 -3.097 2.345 3.982 1.00 0.16 N ATOM 1858 CA VAL A 77 -3.301 1.073 4.636 1.00 0.17 C ATOM 1859 C VAL A 77 -4.537 0.381 4.092 1.00 0.17 C ATOM 1860 O VAL A 77 -4.701 -0.818 4.272 1.00 0.19 O ATOM 1861 CB VAL A 77 -3.387 1.232 6.156 1.00 0.20 C ATOM 1862 CG1 VAL A 77 -2.074 1.780 6.673 1.00 0.23 C ATOM 1863 CG2 VAL A 77 -4.542 2.133 6.555 1.00 0.19 C ATOM 0 H VAL A 77 -3.384 3.156 4.530 1.00 0.16 H new ATOM 0 HA VAL A 77 -2.436 0.446 4.420 1.00 0.17 H new ATOM 0 HB VAL A 77 -3.574 0.255 6.602 1.00 0.20 H new ATOM 0 HG11 VAL A 77 -2.129 1.896 7.755 1.00 0.23 H new ATOM 0 HG12 VAL A 77 -1.268 1.090 6.422 1.00 0.23 H new ATOM 0 HG13 VAL A 77 -1.878 2.749 6.214 1.00 0.23 H new ATOM 0 HG21 VAL A 77 -4.574 2.224 7.641 1.00 0.19 H new ATOM 0 HG22 VAL A 77 -4.404 3.119 6.112 1.00 0.19 H new ATOM 0 HG23 VAL A 77 -5.478 1.703 6.199 1.00 0.19 H new ATOM 1873 N PHE A 78 -5.398 1.144 3.424 1.00 0.20 N ATOM 1874 CA PHE A 78 -6.475 0.569 2.650 1.00 0.22 C ATOM 1875 C PHE A 78 -5.885 -0.447 1.700 1.00 0.19 C ATOM 1876 O PHE A 78 -6.028 -1.647 1.893 1.00 0.18 O ATOM 1877 CB PHE A 78 -7.212 1.673 1.867 1.00 0.30 C ATOM 1878 CG PHE A 78 -8.281 1.194 0.936 1.00 0.22 C ATOM 1879 CD1 PHE A 78 -9.237 0.276 1.333 1.00 1.21 C ATOM 1880 CD2 PHE A 78 -8.314 1.678 -0.355 1.00 1.19 C ATOM 1881 CE1 PHE A 78 -10.207 -0.150 0.448 1.00 1.20 C ATOM 1882 CE2 PHE A 78 -9.275 1.261 -1.241 1.00 1.21 C ATOM 1883 CZ PHE A 78 -10.226 0.345 -0.842 1.00 0.22 C ATOM 0 H PHE A 78 -5.364 2.163 3.408 1.00 0.20 H new ATOM 0 HA PHE A 78 -7.196 0.085 3.309 1.00 0.22 H new ATOM 0 HB2 PHE A 78 -7.659 2.365 2.581 1.00 0.30 H new ATOM 0 HB3 PHE A 78 -6.479 2.238 1.291 1.00 0.30 H new ATOM 0 HD1 PHE A 78 -9.224 -0.110 2.342 1.00 1.21 H new ATOM 0 HD2 PHE A 78 -7.572 2.396 -0.673 1.00 1.19 H new ATOM 0 HE1 PHE A 78 -10.949 -0.868 0.763 1.00 1.20 H new ATOM 0 HE2 PHE A 78 -9.287 1.649 -2.249 1.00 1.21 H new ATOM 0 HZ PHE A 78 -10.984 0.015 -1.537 1.00 0.22 H new ATOM 1893 N LEU A 79 -5.135 0.052 0.739 1.00 0.20 N ATOM 1894 CA LEU A 79 -4.609 -0.767 -0.333 1.00 0.19 C ATOM 1895 C LEU A 79 -3.585 -1.772 0.146 1.00 0.16 C ATOM 1896 O LEU A 79 -3.655 -2.944 -0.193 1.00 0.18 O ATOM 1897 CB LEU A 79 -4.007 0.128 -1.402 1.00 0.22 C ATOM 1898 CG LEU A 79 -5.032 1.015 -2.077 1.00 0.15 C ATOM 1899 CD1 LEU A 79 -4.424 1.736 -3.264 1.00 0.16 C ATOM 1900 CD2 LEU A 79 -6.226 0.172 -2.486 1.00 0.16 C ATOM 0 H LEU A 79 -4.873 1.036 0.679 1.00 0.20 H new ATOM 0 HA LEU A 79 -5.439 -1.340 -0.746 1.00 0.19 H new ATOM 0 HB2 LEU A 79 -3.234 0.752 -0.953 1.00 0.22 H new ATOM 0 HB3 LEU A 79 -3.519 -0.492 -2.154 1.00 0.22 H new ATOM 0 HG LEU A 79 -5.367 1.782 -1.378 1.00 0.15 H new ATOM 0 HD11 LEU A 79 -5.179 2.367 -3.732 1.00 0.16 H new ATOM 0 HD12 LEU A 79 -3.593 2.355 -2.927 1.00 0.16 H new ATOM 0 HD13 LEU A 79 -4.062 1.005 -3.987 1.00 0.16 H new ATOM 0 HD21 LEU A 79 -6.968 0.805 -2.973 1.00 0.16 H new ATOM 0 HD22 LEU A 79 -5.902 -0.606 -3.178 1.00 0.16 H new ATOM 0 HD23 LEU A 79 -6.666 -0.289 -1.602 1.00 0.16 H new ATOM 1912 N SER A 80 -2.650 -1.333 0.950 1.00 0.15 N ATOM 1913 CA SER A 80 -1.562 -2.197 1.342 1.00 0.15 C ATOM 1914 C SER A 80 -2.072 -3.379 2.160 1.00 0.15 C ATOM 1915 O SER A 80 -1.493 -4.459 2.143 1.00 0.18 O ATOM 1916 CB SER A 80 -0.530 -1.392 2.098 1.00 0.17 C ATOM 1917 OG SER A 80 -0.119 -0.285 1.318 1.00 0.23 O ATOM 0 H SER A 80 -2.618 -0.392 1.343 1.00 0.15 H new ATOM 0 HA SER A 80 -1.090 -2.612 0.451 1.00 0.15 H new ATOM 0 HB2 SER A 80 -0.947 -1.047 3.044 1.00 0.17 H new ATOM 0 HB3 SER A 80 0.329 -2.019 2.338 1.00 0.17 H new ATOM 0 HG SER A 80 0.649 -0.541 0.766 1.00 0.23 H new ATOM 1923 N CYS A 81 -3.166 -3.180 2.868 1.00 0.14 N ATOM 1924 CA CYS A 81 -3.795 -4.273 3.574 1.00 0.15 C ATOM 1925 C CYS A 81 -4.682 -5.096 2.642 1.00 0.14 C ATOM 1926 O CYS A 81 -5.003 -6.244 2.942 1.00 0.16 O ATOM 1927 CB CYS A 81 -4.561 -3.750 4.773 1.00 0.17 C ATOM 1928 SG CYS A 81 -3.470 -3.104 6.060 1.00 0.22 S ATOM 0 H CYS A 81 -3.633 -2.279 2.968 1.00 0.14 H new ATOM 0 HA CYS A 81 -3.018 -4.944 3.941 1.00 0.15 H new ATOM 0 HB2 CYS A 81 -5.243 -2.963 4.450 1.00 0.17 H new ATOM 0 HB3 CYS A 81 -5.173 -4.551 5.188 1.00 0.17 H new ATOM 0 HG CYS A 81 -2.426 -2.558 5.510 1.00 0.22 H new ATOM 1934 N ILE A 82 -5.055 -4.525 1.497 1.00 0.13 N ATOM 1935 CA ILE A 82 -5.771 -5.297 0.491 1.00 0.14 C ATOM 1936 C ILE A 82 -4.769 -6.157 -0.271 1.00 0.17 C ATOM 1937 O ILE A 82 -5.144 -7.134 -0.880 1.00 0.21 O ATOM 1938 CB ILE A 82 -6.580 -4.450 -0.526 1.00 0.15 C ATOM 1939 CG1 ILE A 82 -7.376 -3.356 0.170 1.00 0.15 C ATOM 1940 CG2 ILE A 82 -7.548 -5.338 -1.297 1.00 0.16 C ATOM 1941 CD1 ILE A 82 -8.235 -2.551 -0.777 1.00 0.18 C ATOM 0 H ILE A 82 -4.877 -3.552 1.249 1.00 0.13 H new ATOM 0 HA ILE A 82 -6.503 -5.895 1.033 1.00 0.14 H new ATOM 0 HB ILE A 82 -5.865 -3.990 -1.207 1.00 0.15 H new ATOM 0 HG12 ILE A 82 -8.011 -3.807 0.932 1.00 0.15 H new ATOM 0 HG13 ILE A 82 -6.687 -2.686 0.684 1.00 0.15 H new ATOM 0 HG21 ILE A 82 -8.110 -4.732 -2.008 1.00 0.16 H new ATOM 0 HG22 ILE A 82 -6.989 -6.104 -1.835 1.00 0.16 H new ATOM 0 HG23 ILE A 82 -8.238 -5.814 -0.601 1.00 0.16 H new ATOM 0 HD11 ILE A 82 -8.776 -1.788 -0.218 1.00 0.18 H new ATOM 0 HD12 ILE A 82 -7.602 -2.073 -1.525 1.00 0.18 H new ATOM 0 HD13 ILE A 82 -8.947 -3.211 -1.273 1.00 0.18 H new ATOM 1953 N ALA A 83 -3.490 -5.771 -0.255 1.00 0.18 N ATOM 1954 CA ALA A 83 -2.431 -6.663 -0.715 1.00 0.23 C ATOM 1955 C ALA A 83 -2.533 -7.998 -0.007 1.00 0.20 C ATOM 1956 O ALA A 83 -2.789 -9.036 -0.618 1.00 0.21 O ATOM 1957 CB ALA A 83 -1.069 -6.064 -0.431 1.00 0.30 C ATOM 0 H ALA A 83 -3.169 -4.858 0.068 1.00 0.18 H new ATOM 0 HA ALA A 83 -2.548 -6.802 -1.790 1.00 0.23 H new ATOM 0 HB1 ALA A 83 -0.292 -6.744 -0.781 1.00 0.30 H new ATOM 0 HB2 ALA A 83 -0.976 -5.109 -0.949 1.00 0.30 H new ATOM 0 HB3 ALA A 83 -0.957 -5.907 0.642 1.00 0.30 H new ATOM 1963 N MET A 84 -2.346 -7.945 1.304 1.00 0.22 N ATOM 1964 CA MET A 84 -2.427 -9.129 2.147 1.00 0.25 C ATOM 1965 C MET A 84 -3.778 -9.811 2.004 1.00 0.24 C ATOM 1966 O MET A 84 -3.869 -11.038 1.991 1.00 0.28 O ATOM 1967 CB MET A 84 -2.198 -8.755 3.606 1.00 0.30 C ATOM 1968 CG MET A 84 -0.791 -8.269 3.895 1.00 0.34 C ATOM 1969 SD MET A 84 -0.619 -7.665 5.579 1.00 0.36 S ATOM 1970 CE MET A 84 -1.688 -6.230 5.515 1.00 0.20 C ATOM 0 H MET A 84 -2.135 -7.085 1.811 1.00 0.22 H new ATOM 0 HA MET A 84 -1.651 -9.823 1.824 1.00 0.25 H new ATOM 0 HB2 MET A 84 -2.907 -7.977 3.888 1.00 0.30 H new ATOM 0 HB3 MET A 84 -2.410 -9.622 4.232 1.00 0.30 H new ATOM 0 HG2 MET A 84 -0.085 -9.083 3.728 1.00 0.34 H new ATOM 0 HG3 MET A 84 -0.532 -7.474 3.196 1.00 0.34 H new ATOM 0 HE1 MET A 84 -1.722 -5.757 6.497 1.00 0.20 H new ATOM 0 HE2 MET A 84 -1.301 -5.520 4.784 1.00 0.20 H new ATOM 0 HE3 MET A 84 -2.693 -6.537 5.226 1.00 0.20 H new ATOM 1980 N MET A 85 -4.822 -9.008 1.891 1.00 0.25 N ATOM 1981 CA MET A 85 -6.169 -9.531 1.775 1.00 0.36 C ATOM 1982 C MET A 85 -6.386 -10.187 0.404 1.00 0.33 C ATOM 1983 O MET A 85 -6.956 -11.277 0.318 1.00 0.43 O ATOM 1984 CB MET A 85 -7.190 -8.416 2.032 1.00 0.62 C ATOM 1985 CG MET A 85 -8.623 -8.917 2.047 1.00 0.77 C ATOM 1986 SD MET A 85 -9.420 -8.756 0.444 1.00 0.67 S ATOM 1987 CE MET A 85 -10.104 -7.109 0.601 1.00 0.30 C ATOM 0 H MET A 85 -4.761 -7.990 1.877 1.00 0.25 H new ATOM 0 HA MET A 85 -6.312 -10.304 2.530 1.00 0.36 H new ATOM 0 HB2 MET A 85 -6.967 -7.940 2.987 1.00 0.62 H new ATOM 0 HB3 MET A 85 -7.086 -7.651 1.262 1.00 0.62 H new ATOM 0 HG2 MET A 85 -8.636 -9.963 2.353 1.00 0.77 H new ATOM 0 HG3 MET A 85 -9.192 -8.360 2.791 1.00 0.77 H new ATOM 0 HE1 MET A 85 -10.480 -6.778 -0.367 1.00 0.30 H new ATOM 0 HE2 MET A 85 -10.920 -7.121 1.323 1.00 0.30 H new ATOM 0 HE3 MET A 85 -9.328 -6.424 0.942 1.00 0.30 H new ATOM 1997 N CYS A 86 -5.906 -9.540 -0.662 1.00 0.32 N ATOM 1998 CA CYS A 86 -6.032 -10.070 -2.014 1.00 0.43 C ATOM 1999 C CYS A 86 -5.248 -11.365 -2.186 1.00 0.43 C ATOM 2000 O CYS A 86 -5.536 -12.134 -3.093 1.00 0.58 O ATOM 2001 CB CYS A 86 -5.551 -9.042 -3.045 1.00 0.49 C ATOM 2002 SG CYS A 86 -5.554 -9.636 -4.753 1.00 0.57 S ATOM 0 H CYS A 86 -5.424 -8.643 -0.609 1.00 0.32 H new ATOM 0 HA CYS A 86 -7.088 -10.283 -2.178 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -6.184 -8.157 -2.980 1.00 0.49 H new ATOM 0 HB3 CYS A 86 -4.540 -8.730 -2.784 1.00 0.49 H new ATOM 0 HG CYS A 86 -5.653 -10.932 -4.761 1.00 0.57 H new ATOM 2008 N ASN A 87 -4.260 -11.604 -1.327 1.00 0.36 N ATOM 2009 CA ASN A 87 -3.459 -12.828 -1.411 1.00 0.44 C ATOM 2010 C ASN A 87 -4.351 -14.062 -1.371 1.00 0.47 C ATOM 2011 O ASN A 87 -4.149 -15.011 -2.129 1.00 0.54 O ATOM 2012 CB ASN A 87 -2.430 -12.887 -0.278 1.00 0.54 C ATOM 2013 CG ASN A 87 -1.629 -14.180 -0.281 1.00 0.72 C ATOM 2014 OD1 ASN A 87 -1.998 -15.153 0.379 1.00 1.43 O ATOM 2015 ND2 ASN A 87 -0.532 -14.203 -1.024 1.00 1.23 N ATOM 0 H ASN A 87 -3.994 -10.974 -0.570 1.00 0.36 H new ATOM 0 HA ASN A 87 -2.927 -12.813 -2.362 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -1.748 -12.041 -0.367 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -2.942 -12.784 0.679 1.00 0.54 H new ATOM 0 HD21 ASN A 87 0.040 -15.047 -1.063 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -0.259 -13.377 -1.557 1.00 1.23 H new ATOM 2022 N GLU A 88 -5.364 -14.024 -0.517 1.00 0.56 N ATOM 2023 CA GLU A 88 -6.295 -15.135 -0.379 1.00 0.70 C ATOM 2024 C GLU A 88 -7.082 -15.338 -1.675 1.00 0.73 C ATOM 2025 O GLU A 88 -7.381 -16.465 -2.069 1.00 0.82 O ATOM 2026 CB GLU A 88 -7.243 -14.871 0.792 1.00 0.96 C ATOM 2027 CG GLU A 88 -8.112 -16.058 1.161 1.00 1.81 C ATOM 2028 CD GLU A 88 -8.940 -15.799 2.400 1.00 2.18 C ATOM 2029 OE1 GLU A 88 -8.357 -15.698 3.499 1.00 2.78 O ATOM 2030 OE2 GLU A 88 -10.178 -15.688 2.289 1.00 2.60 O ATOM 0 H GLU A 88 -5.563 -13.231 0.094 1.00 0.56 H new ATOM 0 HA GLU A 88 -5.733 -16.047 -0.179 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -6.656 -14.579 1.663 1.00 0.96 H new ATOM 0 HB3 GLU A 88 -7.886 -14.027 0.543 1.00 0.96 H new ATOM 0 HG2 GLU A 88 -8.773 -16.295 0.327 1.00 1.81 H new ATOM 0 HG3 GLU A 88 -7.480 -16.931 1.325 1.00 1.81 H new ATOM 2285 N ALA B 2 -3.552 -0.537 -17.730 1.00 0.34 N ATOM 2286 CA ALA B 2 -4.185 -1.554 -16.917 1.00 0.30 C ATOM 2287 C ALA B 2 -5.084 -0.880 -15.895 1.00 0.27 C ATOM 2288 O ALA B 2 -5.056 0.343 -15.777 1.00 0.36 O ATOM 2289 CB ALA B 2 -3.127 -2.402 -16.233 1.00 0.30 C ATOM 0 HA ALA B 2 -4.790 -2.210 -17.544 1.00 0.30 H new ATOM 0 HB1 ALA B 2 -3.611 -3.165 -15.623 1.00 0.30 H new ATOM 0 HB2 ALA B 2 -2.502 -2.882 -16.986 1.00 0.30 H new ATOM 0 HB3 ALA B 2 -2.508 -1.769 -15.598 1.00 0.30 H new ATOM 2295 N CYS B 3 -5.888 -1.660 -15.183 1.00 0.25 N ATOM 2296 CA CYS B 3 -6.712 -1.125 -14.110 1.00 0.23 C ATOM 2297 C CYS B 3 -5.803 -0.614 -13.002 1.00 0.17 C ATOM 2298 O CYS B 3 -5.240 -1.399 -12.244 1.00 0.17 O ATOM 2299 CB CYS B 3 -7.664 -2.196 -13.577 1.00 0.28 C ATOM 2300 SG CYS B 3 -8.762 -2.904 -14.829 1.00 0.39 S ATOM 0 H CYS B 3 -5.986 -2.665 -15.330 1.00 0.25 H new ATOM 0 HA CYS B 3 -7.319 -0.303 -14.491 1.00 0.23 H new ATOM 0 HB2 CYS B 3 -7.077 -2.998 -13.130 1.00 0.28 H new ATOM 0 HB3 CYS B 3 -8.270 -1.763 -12.781 1.00 0.28 H new ATOM 0 HG CYS B 3 -9.526 -3.801 -14.279 1.00 0.39 H new ATOM 2306 N PRO B 4 -5.645 0.710 -12.916 1.00 0.16 N ATOM 2307 CA PRO B 4 -4.607 1.344 -12.091 1.00 0.13 C ATOM 2308 C PRO B 4 -4.625 0.889 -10.637 1.00 0.12 C ATOM 2309 O PRO B 4 -3.660 0.292 -10.155 1.00 0.12 O ATOM 2310 CB PRO B 4 -4.963 2.825 -12.192 1.00 0.17 C ATOM 2311 CG PRO B 4 -5.639 2.947 -13.508 1.00 0.20 C ATOM 2312 CD PRO B 4 -6.475 1.712 -13.612 1.00 0.20 C ATOM 0 HA PRO B 4 -3.604 1.091 -12.435 1.00 0.13 H new ATOM 0 HB2 PRO B 4 -5.618 3.134 -11.377 1.00 0.17 H new ATOM 0 HB3 PRO B 4 -4.074 3.453 -12.141 1.00 0.17 H new ATOM 0 HG2 PRO B 4 -6.252 3.847 -13.558 1.00 0.20 H new ATOM 0 HG3 PRO B 4 -4.916 3.008 -14.322 1.00 0.20 H new ATOM 0 HD2 PRO B 4 -7.447 1.837 -13.134 1.00 0.20 H new ATOM 0 HD3 PRO B 4 -6.663 1.435 -14.649 1.00 0.20 H new ATOM 2320 N LEU B 5 -5.729 1.147 -9.954 1.00 0.13 N ATOM 2321 CA LEU B 5 -5.847 0.799 -8.548 1.00 0.14 C ATOM 2322 C LEU B 5 -5.924 -0.719 -8.380 1.00 0.16 C ATOM 2323 O LEU B 5 -5.404 -1.269 -7.414 1.00 0.22 O ATOM 2324 CB LEU B 5 -7.086 1.472 -7.947 1.00 0.15 C ATOM 2325 CG LEU B 5 -6.963 1.968 -6.501 1.00 0.16 C ATOM 2326 CD1 LEU B 5 -6.656 0.830 -5.566 1.00 0.18 C ATOM 2327 CD2 LEU B 5 -5.903 3.045 -6.371 1.00 0.17 C ATOM 0 H LEU B 5 -6.555 1.596 -10.350 1.00 0.13 H new ATOM 0 HA LEU B 5 -4.963 1.156 -8.019 1.00 0.14 H new ATOM 0 HB2 LEU B 5 -7.352 2.321 -8.577 1.00 0.15 H new ATOM 0 HB3 LEU B 5 -7.915 0.766 -7.996 1.00 0.15 H new ATOM 0 HG LEU B 5 -7.925 2.400 -6.225 1.00 0.16 H new ATOM 0 HD11 LEU B 5 -6.574 1.208 -4.547 1.00 0.18 H new ATOM 0 HD12 LEU B 5 -7.457 0.092 -5.616 1.00 0.18 H new ATOM 0 HD13 LEU B 5 -5.715 0.364 -5.857 1.00 0.18 H new ATOM 0 HD21 LEU B 5 -5.843 3.373 -5.333 1.00 0.17 H new ATOM 0 HD22 LEU B 5 -4.938 2.645 -6.681 1.00 0.17 H new ATOM 0 HD23 LEU B 5 -6.165 3.892 -7.005 1.00 0.17 H new ATOM 2339 N GLU B 6 -6.545 -1.402 -9.337 1.00 0.16 N ATOM 2340 CA GLU B 6 -6.721 -2.848 -9.235 1.00 0.20 C ATOM 2341 C GLU B 6 -5.375 -3.561 -9.316 1.00 0.18 C ATOM 2342 O GLU B 6 -5.116 -4.501 -8.563 1.00 0.23 O ATOM 2343 CB GLU B 6 -7.667 -3.371 -10.321 1.00 0.29 C ATOM 2344 CG GLU B 6 -8.020 -4.842 -10.155 1.00 0.43 C ATOM 2345 CD GLU B 6 -9.152 -5.288 -11.058 1.00 0.90 C ATOM 2346 OE1 GLU B 6 -8.922 -5.436 -12.276 1.00 1.39 O ATOM 2347 OE2 GLU B 6 -10.272 -5.517 -10.549 1.00 1.79 O ATOM 0 H GLU B 6 -6.931 -0.984 -10.183 1.00 0.16 H new ATOM 0 HA GLU B 6 -7.171 -3.060 -8.265 1.00 0.20 H new ATOM 0 HB2 GLU B 6 -8.584 -2.781 -10.309 1.00 0.29 H new ATOM 0 HB3 GLU B 6 -7.205 -3.223 -11.297 1.00 0.29 H new ATOM 0 HG2 GLU B 6 -7.137 -5.447 -10.363 1.00 0.43 H new ATOM 0 HG3 GLU B 6 -8.296 -5.028 -9.117 1.00 0.43 H new ATOM 2354 N LYS B 7 -4.510 -3.096 -10.213 1.00 0.16 N ATOM 2355 CA LYS B 7 -3.192 -3.690 -10.363 1.00 0.18 C ATOM 2356 C LYS B 7 -2.344 -3.437 -9.129 1.00 0.17 C ATOM 2357 O LYS B 7 -1.448 -4.211 -8.836 1.00 0.19 O ATOM 2358 CB LYS B 7 -2.474 -3.172 -11.622 1.00 0.25 C ATOM 2359 CG LYS B 7 -3.158 -3.567 -12.923 1.00 0.41 C ATOM 2360 CD LYS B 7 -3.468 -5.057 -12.989 1.00 0.90 C ATOM 2361 CE LYS B 7 -2.217 -5.911 -12.882 1.00 0.84 C ATOM 2362 NZ LYS B 7 -1.279 -5.693 -14.015 1.00 1.18 N ATOM 0 H LYS B 7 -4.699 -2.315 -10.841 1.00 0.16 H new ATOM 0 HA LYS B 7 -3.331 -4.765 -10.478 1.00 0.18 H new ATOM 0 HB2 LYS B 7 -2.409 -2.085 -11.571 1.00 0.25 H new ATOM 0 HB3 LYS B 7 -1.452 -3.552 -11.629 1.00 0.25 H new ATOM 0 HG2 LYS B 7 -4.084 -3.001 -13.030 1.00 0.41 H new ATOM 0 HG3 LYS B 7 -2.519 -3.294 -13.763 1.00 0.41 H new ATOM 0 HD2 LYS B 7 -4.154 -5.319 -12.184 1.00 0.90 H new ATOM 0 HD3 LYS B 7 -3.978 -5.279 -13.927 1.00 0.90 H new ATOM 0 HE2 LYS B 7 -1.708 -5.687 -11.945 1.00 0.84 H new ATOM 0 HE3 LYS B 7 -2.501 -6.963 -12.847 1.00 0.84 H new ATOM 0 HZ1 LYS B 7 -0.492 -6.370 -13.949 1.00 1.18 H new ATOM 0 HZ2 LYS B 7 -1.782 -5.833 -14.914 1.00 1.18 H new ATOM 0 HZ3 LYS B 7 -0.906 -4.723 -13.975 1.00 1.18 H new ATOM 2376 N ALA B 8 -2.647 -2.371 -8.399 1.00 0.17 N ATOM 2377 CA ALA B 8 -1.928 -2.059 -7.169 1.00 0.17 C ATOM 2378 C ALA B 8 -1.941 -3.248 -6.209 1.00 0.17 C ATOM 2379 O ALA B 8 -0.886 -3.717 -5.790 1.00 0.22 O ATOM 2380 CB ALA B 8 -2.511 -0.824 -6.499 1.00 0.18 C ATOM 0 H ALA B 8 -3.385 -1.708 -8.637 1.00 0.17 H new ATOM 0 HA ALA B 8 -0.892 -1.848 -7.433 1.00 0.17 H new ATOM 0 HB1 ALA B 8 -1.958 -0.611 -5.584 1.00 0.18 H new ATOM 0 HB2 ALA B 8 -2.434 0.027 -7.175 1.00 0.18 H new ATOM 0 HB3 ALA B 8 -3.559 -1.002 -6.257 1.00 0.18 H new ATOM 2386 N LEU B 9 -3.131 -3.756 -5.888 1.00 0.13 N ATOM 2387 CA LEU B 9 -3.237 -4.891 -4.969 1.00 0.12 C ATOM 2388 C LEU B 9 -2.810 -6.173 -5.673 1.00 0.14 C ATOM 2389 O LEU B 9 -2.250 -7.081 -5.055 1.00 0.18 O ATOM 2390 CB LEU B 9 -4.662 -5.065 -4.403 1.00 0.13 C ATOM 2391 CG LEU B 9 -5.312 -3.815 -3.791 1.00 0.13 C ATOM 2392 CD1 LEU B 9 -4.312 -3.045 -2.966 1.00 0.15 C ATOM 2393 CD2 LEU B 9 -5.924 -2.913 -4.848 1.00 0.13 C ATOM 0 H LEU B 9 -4.021 -3.408 -6.243 1.00 0.13 H new ATOM 0 HA LEU B 9 -2.574 -4.683 -4.129 1.00 0.12 H new ATOM 0 HB2 LEU B 9 -5.306 -5.427 -5.204 1.00 0.13 H new ATOM 0 HB3 LEU B 9 -4.634 -5.843 -3.640 1.00 0.13 H new ATOM 0 HG LEU B 9 -6.119 -4.159 -3.144 1.00 0.13 H new ATOM 0 HD11 LEU B 9 -4.792 -2.163 -2.541 1.00 0.15 H new ATOM 0 HD12 LEU B 9 -3.940 -3.679 -2.161 1.00 0.15 H new ATOM 0 HD13 LEU B 9 -3.480 -2.736 -3.598 1.00 0.15 H new ATOM 0 HD21 LEU B 9 -6.372 -2.042 -4.369 1.00 0.13 H new ATOM 0 HD22 LEU B 9 -5.149 -2.587 -5.541 1.00 0.13 H new ATOM 0 HD23 LEU B 9 -6.692 -3.461 -5.394 1.00 0.13 H new ATOM 2405 N ASP B 10 -3.073 -6.230 -6.974 1.00 0.14 N ATOM 2406 CA ASP B 10 -2.693 -7.376 -7.796 1.00 0.16 C ATOM 2407 C ASP B 10 -1.189 -7.613 -7.747 1.00 0.15 C ATOM 2408 O ASP B 10 -0.730 -8.714 -7.442 1.00 0.19 O ATOM 2409 CB ASP B 10 -3.133 -7.149 -9.248 1.00 0.20 C ATOM 2410 CG ASP B 10 -2.634 -8.225 -10.196 1.00 0.51 C ATOM 2411 OD1 ASP B 10 -1.517 -8.079 -10.744 1.00 1.22 O ATOM 2412 OD2 ASP B 10 -3.363 -9.214 -10.414 1.00 1.19 O ATOM 0 H ASP B 10 -3.552 -5.490 -7.487 1.00 0.14 H new ATOM 0 HA ASP B 10 -3.193 -8.258 -7.397 1.00 0.16 H new ATOM 0 HB2 ASP B 10 -4.222 -7.112 -9.290 1.00 0.20 H new ATOM 0 HB3 ASP B 10 -2.768 -6.179 -9.585 1.00 0.20 H new ATOM 2417 N VAL B 11 -0.425 -6.571 -8.030 1.00 0.15 N ATOM 2418 CA VAL B 11 1.023 -6.684 -8.115 1.00 0.16 C ATOM 2419 C VAL B 11 1.649 -6.825 -6.736 1.00 0.16 C ATOM 2420 O VAL B 11 2.755 -7.339 -6.600 1.00 0.20 O ATOM 2421 CB VAL B 11 1.639 -5.477 -8.844 1.00 0.18 C ATOM 2422 CG1 VAL B 11 0.968 -5.294 -10.192 1.00 0.21 C ATOM 2423 CG2 VAL B 11 1.528 -4.211 -8.006 1.00 0.17 C ATOM 0 H VAL B 11 -0.785 -5.633 -8.206 1.00 0.15 H new ATOM 0 HA VAL B 11 1.238 -7.585 -8.690 1.00 0.16 H new ATOM 0 HB VAL B 11 2.700 -5.672 -9.001 1.00 0.18 H new ATOM 0 HG11 VAL B 11 1.408 -4.438 -10.704 1.00 0.21 H new ATOM 0 HG12 VAL B 11 1.112 -6.191 -10.795 1.00 0.21 H new ATOM 0 HG13 VAL B 11 -0.098 -5.121 -10.047 1.00 0.21 H new ATOM 0 HG21 VAL B 11 1.972 -3.376 -8.548 1.00 0.17 H new ATOM 0 HG22 VAL B 11 0.478 -3.997 -7.807 1.00 0.17 H new ATOM 0 HG23 VAL B 11 2.055 -4.352 -7.062 1.00 0.17 H new ATOM 2433 N MET B 12 0.934 -6.378 -5.717 1.00 0.16 N ATOM 2434 CA MET B 12 1.390 -6.520 -4.343 1.00 0.20 C ATOM 2435 C MET B 12 1.652 -7.979 -4.009 1.00 0.23 C ATOM 2436 O MET B 12 2.648 -8.301 -3.375 1.00 0.39 O ATOM 2437 CB MET B 12 0.361 -5.939 -3.388 1.00 0.27 C ATOM 2438 CG MET B 12 0.483 -4.438 -3.223 1.00 0.16 C ATOM 2439 SD MET B 12 -0.959 -3.711 -2.434 1.00 0.78 S ATOM 2440 CE MET B 12 -0.321 -2.111 -1.990 1.00 0.19 C ATOM 0 H MET B 12 0.032 -5.912 -5.815 1.00 0.16 H new ATOM 0 HA MET B 12 2.325 -5.971 -4.233 1.00 0.20 H new ATOM 0 HB2 MET B 12 -0.639 -6.178 -3.751 1.00 0.27 H new ATOM 0 HB3 MET B 12 0.469 -6.415 -2.414 1.00 0.27 H new ATOM 0 HG2 MET B 12 1.370 -4.212 -2.631 1.00 0.16 H new ATOM 0 HG3 MET B 12 0.628 -3.979 -4.201 1.00 0.16 H new ATOM 0 HE1 MET B 12 -1.099 -1.535 -1.489 1.00 0.19 H new ATOM 0 HE2 MET B 12 0.530 -2.232 -1.320 1.00 0.19 H new ATOM 0 HE3 MET B 12 -0.002 -1.584 -2.889 1.00 0.19 H new ATOM 2450 N VAL B 13 0.753 -8.857 -4.440 1.00 0.18 N ATOM 2451 CA VAL B 13 0.934 -10.287 -4.233 1.00 0.19 C ATOM 2452 C VAL B 13 1.650 -10.951 -5.414 1.00 0.19 C ATOM 2453 O VAL B 13 2.343 -11.953 -5.240 1.00 0.25 O ATOM 2454 CB VAL B 13 -0.405 -11.002 -3.962 1.00 0.20 C ATOM 2455 CG1 VAL B 13 -0.956 -10.594 -2.610 1.00 0.21 C ATOM 2456 CG2 VAL B 13 -1.416 -10.704 -5.055 1.00 0.22 C ATOM 0 H VAL B 13 -0.104 -8.604 -4.932 1.00 0.18 H new ATOM 0 HA VAL B 13 1.564 -10.389 -3.349 1.00 0.19 H new ATOM 0 HB VAL B 13 -0.219 -12.076 -3.958 1.00 0.20 H new ATOM 0 HG11 VAL B 13 -1.901 -11.107 -2.433 1.00 0.21 H new ATOM 0 HG12 VAL B 13 -0.244 -10.865 -1.830 1.00 0.21 H new ATOM 0 HG13 VAL B 13 -1.119 -9.516 -2.594 1.00 0.21 H new ATOM 0 HG21 VAL B 13 -2.350 -11.221 -4.837 1.00 0.22 H new ATOM 0 HG22 VAL B 13 -1.598 -9.630 -5.100 1.00 0.22 H new ATOM 0 HG23 VAL B 13 -1.027 -11.046 -6.014 1.00 0.22 H new ATOM 2466 N SER B 14 1.485 -10.394 -6.611 1.00 0.18 N ATOM 2467 CA SER B 14 2.110 -10.958 -7.808 1.00 0.21 C ATOM 2468 C SER B 14 3.617 -10.700 -7.814 1.00 0.23 C ATOM 2469 O SER B 14 4.414 -11.640 -7.837 1.00 0.26 O ATOM 2470 CB SER B 14 1.466 -10.376 -9.067 1.00 0.23 C ATOM 2471 OG SER B 14 0.076 -10.659 -9.103 1.00 1.12 O ATOM 0 H SER B 14 0.927 -9.557 -6.779 1.00 0.18 H new ATOM 0 HA SER B 14 1.951 -12.036 -7.797 1.00 0.21 H new ATOM 0 HB2 SER B 14 1.622 -9.298 -9.095 1.00 0.23 H new ATOM 0 HB3 SER B 14 1.949 -10.791 -9.952 1.00 0.23 H new ATOM 0 HG SER B 14 -0.387 -10.111 -8.435 1.00 1.12 H new ATOM 2477 N THR B 15 3.998 -9.428 -7.768 1.00 0.24 N ATOM 2478 CA THR B 15 5.400 -9.035 -7.736 1.00 0.26 C ATOM 2479 C THR B 15 6.066 -9.553 -6.457 1.00 0.28 C ATOM 2480 O THR B 15 7.271 -9.810 -6.424 1.00 0.31 O ATOM 2481 CB THR B 15 5.524 -7.497 -7.823 1.00 0.27 C ATOM 2482 OG1 THR B 15 4.801 -7.019 -8.967 1.00 0.33 O ATOM 2483 CG2 THR B 15 6.974 -7.054 -7.927 1.00 0.25 C ATOM 0 H THR B 15 3.346 -8.644 -7.752 1.00 0.24 H new ATOM 0 HA THR B 15 5.908 -9.474 -8.594 1.00 0.26 H new ATOM 0 HB THR B 15 5.105 -7.078 -6.908 1.00 0.27 H new ATOM 0 HG1 THR B 15 5.388 -6.455 -9.513 1.00 0.33 H new ATOM 0 HG21 THR B 15 7.019 -5.967 -7.986 1.00 0.25 H new ATOM 0 HG22 THR B 15 7.522 -7.392 -7.048 1.00 0.25 H new ATOM 0 HG23 THR B 15 7.423 -7.485 -8.822 1.00 0.25 H new ATOM 2491 N PHE B 16 5.243 -9.727 -5.423 1.00 0.30 N ATOM 2492 CA PHE B 16 5.669 -10.295 -4.145 1.00 0.36 C ATOM 2493 C PHE B 16 6.461 -11.585 -4.345 1.00 0.40 C ATOM 2494 O PHE B 16 7.674 -11.613 -4.139 1.00 0.51 O ATOM 2495 CB PHE B 16 4.430 -10.565 -3.287 1.00 0.44 C ATOM 2496 CG PHE B 16 4.696 -11.192 -1.951 1.00 0.34 C ATOM 2497 CD1 PHE B 16 5.343 -10.487 -0.955 1.00 1.21 C ATOM 2498 CD2 PHE B 16 4.279 -12.486 -1.688 1.00 1.27 C ATOM 2499 CE1 PHE B 16 5.576 -11.057 0.278 1.00 1.38 C ATOM 2500 CE2 PHE B 16 4.505 -13.060 -0.456 1.00 1.42 C ATOM 2501 CZ PHE B 16 5.155 -12.343 0.528 1.00 0.97 C ATOM 0 H PHE B 16 4.255 -9.476 -5.449 1.00 0.30 H new ATOM 0 HA PHE B 16 6.324 -9.582 -3.644 1.00 0.36 H new ATOM 0 HB2 PHE B 16 3.906 -9.622 -3.129 1.00 0.44 H new ATOM 0 HB3 PHE B 16 3.756 -11.214 -3.846 1.00 0.44 H new ATOM 0 HD1 PHE B 16 5.671 -9.476 -1.145 1.00 1.21 H new ATOM 0 HD2 PHE B 16 3.772 -13.051 -2.456 1.00 1.27 H new ATOM 0 HE1 PHE B 16 6.088 -10.496 1.046 1.00 1.38 H new ATOM 0 HE2 PHE B 16 4.174 -14.069 -0.261 1.00 1.42 H new ATOM 0 HZ PHE B 16 5.333 -12.791 1.494 1.00 0.97 H new ATOM 2511 N HIS B 17 5.775 -12.643 -4.776 1.00 0.41 N ATOM 2512 CA HIS B 17 6.409 -13.950 -4.950 1.00 0.51 C ATOM 2513 C HIS B 17 7.343 -13.945 -6.156 1.00 0.45 C ATOM 2514 O HIS B 17 8.194 -14.821 -6.302 1.00 0.51 O ATOM 2515 CB HIS B 17 5.357 -15.066 -5.091 1.00 0.68 C ATOM 2516 CG HIS B 17 4.531 -15.008 -6.345 1.00 1.09 C ATOM 2517 ND1 HIS B 17 3.329 -14.438 -6.591 1.00 2.16 N flip ATOM 2518 CD2 HIS B 17 4.915 -15.601 -7.528 1.00 1.26 C flip ATOM 2519 CE1 HIS B 17 3.012 -14.695 -7.902 1.00 2.82 C flip ATOM 2520 NE2 HIS B 17 3.988 -15.397 -8.443 1.00 2.30 N flip ATOM 0 H HIS B 17 4.783 -12.621 -5.011 1.00 0.41 H new ATOM 0 HA HIS B 17 6.999 -14.151 -4.056 1.00 0.51 H new ATOM 0 HB2 HIS B 17 5.865 -16.030 -5.053 1.00 0.68 H new ATOM 0 HB3 HIS B 17 4.688 -15.024 -4.231 1.00 0.68 H new ATOM 0 HD1 HIS B 17 2.762 -13.913 -5.925 1.00 2.16 H new ATOM 0 HD2 HIS B 17 5.833 -16.148 -7.682 1.00 1.26 H new ATOM 0 HE1 HIS B 17 2.112 -14.375 -8.406 1.00 2.82 H new ATOM 2529 N LYS B 18 7.179 -12.943 -7.007 1.00 0.42 N ATOM 2530 CA LYS B 18 7.957 -12.821 -8.230 1.00 0.46 C ATOM 2531 C LYS B 18 9.440 -12.605 -7.931 1.00 0.45 C ATOM 2532 O LYS B 18 10.301 -13.194 -8.588 1.00 0.62 O ATOM 2533 CB LYS B 18 7.399 -11.667 -9.067 1.00 0.55 C ATOM 2534 CG LYS B 18 8.138 -11.405 -10.367 1.00 0.76 C ATOM 2535 CD LYS B 18 7.537 -10.213 -11.093 1.00 0.71 C ATOM 2536 CE LYS B 18 8.342 -9.828 -12.323 1.00 1.40 C ATOM 2537 NZ LYS B 18 7.822 -8.585 -12.953 1.00 1.67 N ATOM 0 H LYS B 18 6.503 -12.192 -6.869 1.00 0.42 H new ATOM 0 HA LYS B 18 7.875 -13.752 -8.792 1.00 0.46 H new ATOM 0 HB2 LYS B 18 6.354 -11.875 -9.296 1.00 0.55 H new ATOM 0 HB3 LYS B 18 7.419 -10.758 -8.465 1.00 0.55 H new ATOM 0 HG2 LYS B 18 9.192 -11.219 -10.161 1.00 0.76 H new ATOM 0 HG3 LYS B 18 8.089 -12.288 -11.004 1.00 0.76 H new ATOM 0 HD2 LYS B 18 6.514 -10.447 -11.388 1.00 0.71 H new ATOM 0 HD3 LYS B 18 7.486 -9.363 -10.413 1.00 0.71 H new ATOM 0 HE2 LYS B 18 9.386 -9.686 -12.045 1.00 1.40 H new ATOM 0 HE3 LYS B 18 8.313 -10.643 -13.047 1.00 1.40 H new ATOM 0 HZ1 LYS B 18 8.162 -8.524 -13.934 1.00 1.67 H new ATOM 0 HZ2 LYS B 18 6.782 -8.602 -12.948 1.00 1.67 H new ATOM 0 HZ3 LYS B 18 8.157 -7.758 -12.418 1.00 1.67 H new ATOM 2551 N TYR B 19 9.741 -11.774 -6.937 1.00 0.39 N ATOM 2552 CA TYR B 19 11.131 -11.444 -6.622 1.00 0.43 C ATOM 2553 C TYR B 19 11.615 -12.131 -5.354 1.00 0.50 C ATOM 2554 O TYR B 19 12.816 -12.270 -5.153 1.00 0.74 O ATOM 2555 CB TYR B 19 11.315 -9.929 -6.502 1.00 0.46 C ATOM 2556 CG TYR B 19 11.161 -9.198 -7.816 1.00 0.41 C ATOM 2557 CD1 TYR B 19 9.906 -8.898 -8.316 1.00 1.17 C ATOM 2558 CD2 TYR B 19 12.270 -8.813 -8.559 1.00 1.17 C ATOM 2559 CE1 TYR B 19 9.755 -8.238 -9.515 1.00 1.17 C ATOM 2560 CE2 TYR B 19 12.125 -8.151 -9.764 1.00 1.21 C ATOM 2561 CZ TYR B 19 10.863 -7.867 -10.236 1.00 0.50 C ATOM 2562 OH TYR B 19 10.700 -7.216 -11.437 1.00 0.61 O ATOM 0 H TYR B 19 9.050 -11.320 -6.340 1.00 0.39 H new ATOM 0 HA TYR B 19 11.738 -11.815 -7.448 1.00 0.43 H new ATOM 0 HB2 TYR B 19 10.588 -9.538 -5.790 1.00 0.46 H new ATOM 0 HB3 TYR B 19 12.304 -9.722 -6.094 1.00 0.46 H new ATOM 0 HD1 TYR B 19 9.029 -9.187 -7.756 1.00 1.17 H new ATOM 0 HD2 TYR B 19 13.260 -9.034 -8.190 1.00 1.17 H new ATOM 0 HE1 TYR B 19 8.767 -8.013 -9.888 1.00 1.17 H new ATOM 0 HE2 TYR B 19 12.996 -7.858 -10.332 1.00 1.21 H new ATOM 0 HH TYR B 19 9.781 -6.881 -11.506 1.00 0.61 H new ATOM 2572 N SER B 20 10.695 -12.561 -4.506 1.00 0.41 N ATOM 2573 CA SER B 20 11.072 -13.252 -3.279 1.00 0.48 C ATOM 2574 C SER B 20 11.379 -14.717 -3.563 1.00 0.57 C ATOM 2575 O SER B 20 12.242 -15.322 -2.928 1.00 0.70 O ATOM 2576 CB SER B 20 9.958 -13.132 -2.247 1.00 0.49 C ATOM 2577 OG SER B 20 8.723 -13.549 -2.789 1.00 0.53 O ATOM 0 H SER B 20 9.690 -12.446 -4.640 1.00 0.41 H new ATOM 0 HA SER B 20 11.972 -12.785 -2.879 1.00 0.48 H new ATOM 0 HB2 SER B 20 10.199 -13.737 -1.373 1.00 0.49 H new ATOM 0 HB3 SER B 20 9.881 -12.099 -1.908 1.00 0.49 H new ATOM 0 HG SER B 20 8.266 -12.781 -3.190 1.00 0.53 H new ATOM 2583 N GLY B 21 10.677 -15.282 -4.542 1.00 0.57 N ATOM 2584 CA GLY B 21 10.919 -16.657 -4.933 1.00 0.68 C ATOM 2585 C GLY B 21 12.128 -16.791 -5.837 1.00 0.71 C ATOM 2586 O GLY B 21 12.182 -17.680 -6.687 1.00 0.86 O ATOM 0 H GLY B 21 9.944 -14.810 -5.071 1.00 0.57 H new ATOM 0 HA2 GLY B 21 11.065 -17.266 -4.041 1.00 0.68 H new ATOM 0 HA3 GLY B 21 10.040 -17.047 -5.445 1.00 0.68 H new ATOM 2688 N LYS B 28 8.900 -14.389 1.356 1.00 0.69 N ATOM 2689 CA LYS B 28 9.798 -13.628 2.194 1.00 0.68 C ATOM 2690 C LYS B 28 10.817 -12.875 1.352 1.00 0.50 C ATOM 2691 O LYS B 28 11.612 -13.479 0.636 1.00 0.54 O ATOM 2692 CB LYS B 28 10.519 -14.560 3.169 1.00 0.92 C ATOM 2693 CG LYS B 28 11.194 -13.835 4.319 1.00 0.93 C ATOM 2694 CD LYS B 28 10.178 -13.324 5.329 1.00 0.98 C ATOM 2695 CE LYS B 28 9.516 -14.470 6.082 1.00 1.51 C ATOM 2696 NZ LYS B 28 8.480 -13.986 7.032 1.00 1.98 N ATOM 0 HA LYS B 28 9.210 -12.902 2.755 1.00 0.68 H new ATOM 0 HB2 LYS B 28 9.802 -15.275 3.573 1.00 0.92 H new ATOM 0 HB3 LYS B 28 11.268 -15.134 2.623 1.00 0.92 H new ATOM 0 HG2 LYS B 28 11.894 -14.508 4.814 1.00 0.93 H new ATOM 0 HG3 LYS B 28 11.776 -12.999 3.932 1.00 0.93 H new ATOM 0 HD2 LYS B 28 10.671 -12.658 6.037 1.00 0.98 H new ATOM 0 HD3 LYS B 28 9.417 -12.736 4.816 1.00 0.98 H new ATOM 0 HE2 LYS B 28 9.061 -15.158 5.369 1.00 1.51 H new ATOM 0 HE3 LYS B 28 10.274 -15.032 6.628 1.00 1.51 H new ATOM 0 HZ1 LYS B 28 8.054 -14.797 7.524 1.00 1.98 H new ATOM 0 HZ2 LYS B 28 8.918 -13.350 7.728 1.00 1.98 H new ATOM 0 HZ3 LYS B 28 7.742 -13.472 6.509 1.00 1.98 H new ATOM 2710 N LEU B 29 10.800 -11.557 1.447 1.00 0.38 N ATOM 2711 CA LEU B 29 11.784 -10.750 0.749 1.00 0.32 C ATOM 2712 C LEU B 29 12.853 -10.254 1.702 1.00 0.33 C ATOM 2713 O LEU B 29 12.594 -9.411 2.559 1.00 0.42 O ATOM 2714 CB LEU B 29 11.150 -9.547 0.042 1.00 0.29 C ATOM 2715 CG LEU B 29 10.347 -9.871 -1.216 1.00 0.29 C ATOM 2716 CD1 LEU B 29 8.931 -10.257 -0.858 1.00 0.34 C ATOM 2717 CD2 LEU B 29 10.357 -8.693 -2.176 1.00 0.31 C ATOM 0 H LEU B 29 10.122 -11.027 1.995 1.00 0.38 H new ATOM 0 HA LEU B 29 12.233 -11.397 -0.005 1.00 0.32 H new ATOM 0 HB2 LEU B 29 10.495 -9.036 0.748 1.00 0.29 H new ATOM 0 HB3 LEU B 29 11.941 -8.846 -0.224 1.00 0.29 H new ATOM 0 HG LEU B 29 10.817 -10.720 -1.713 1.00 0.29 H new ATOM 0 HD11 LEU B 29 8.375 -10.484 -1.767 1.00 0.34 H new ATOM 0 HD12 LEU B 29 8.945 -11.135 -0.213 1.00 0.34 H new ATOM 0 HD13 LEU B 29 8.450 -9.430 -0.335 1.00 0.34 H new ATOM 0 HD21 LEU B 29 9.780 -8.944 -3.066 1.00 0.31 H new ATOM 0 HD22 LEU B 29 9.915 -7.824 -1.690 1.00 0.31 H new ATOM 0 HD23 LEU B 29 11.384 -8.465 -2.462 1.00 0.31 H new ATOM 2729 N ASN B 30 14.047 -10.800 1.568 1.00 0.31 N ATOM 2730 CA ASN B 30 15.200 -10.270 2.275 1.00 0.31 C ATOM 2731 C ASN B 30 15.742 -9.080 1.489 1.00 0.27 C ATOM 2732 O ASN B 30 15.111 -8.644 0.521 1.00 0.26 O ATOM 2733 CB ASN B 30 16.281 -11.343 2.455 1.00 0.35 C ATOM 2734 CG ASN B 30 17.033 -11.647 1.179 1.00 0.58 C ATOM 2735 OD1 ASN B 30 18.062 -11.035 0.891 1.00 1.17 O ATOM 2736 ND2 ASN B 30 16.536 -12.593 0.411 1.00 0.60 N ATOM 0 H ASN B 30 14.245 -11.608 0.978 1.00 0.31 H new ATOM 0 HA ASN B 30 14.900 -9.949 3.272 1.00 0.31 H new ATOM 0 HB2 ASN B 30 16.988 -11.014 3.217 1.00 0.35 H new ATOM 0 HB3 ASN B 30 15.818 -12.258 2.824 1.00 0.35 H new ATOM 0 HD21 ASN B 30 17.006 -12.843 -0.459 1.00 0.60 H new ATOM 0 HD22 ASN B 30 15.681 -13.076 0.686 1.00 0.60 H new ATOM 2743 N LYS B 31 16.894 -8.555 1.897 1.00 0.27 N ATOM 2744 CA LYS B 31 17.480 -7.392 1.235 1.00 0.26 C ATOM 2745 C LYS B 31 17.565 -7.599 -0.277 1.00 0.25 C ATOM 2746 O LYS B 31 17.176 -6.734 -1.053 1.00 0.28 O ATOM 2747 CB LYS B 31 18.882 -7.099 1.770 1.00 0.29 C ATOM 2748 CG LYS B 31 18.943 -6.890 3.271 1.00 0.40 C ATOM 2749 CD LYS B 31 20.272 -6.287 3.697 1.00 0.49 C ATOM 2750 CE LYS B 31 21.455 -7.114 3.221 1.00 1.20 C ATOM 2751 NZ LYS B 31 21.493 -8.456 3.858 1.00 1.72 N ATOM 0 H LYS B 31 17.439 -8.915 2.680 1.00 0.27 H new ATOM 0 HA LYS B 31 16.827 -6.546 1.448 1.00 0.26 H new ATOM 0 HB2 LYS B 31 19.541 -7.925 1.502 1.00 0.29 H new ATOM 0 HB3 LYS B 31 19.269 -6.209 1.274 1.00 0.29 H new ATOM 0 HG2 LYS B 31 18.129 -6.235 3.581 1.00 0.40 H new ATOM 0 HG3 LYS B 31 18.796 -7.843 3.778 1.00 0.40 H new ATOM 0 HD2 LYS B 31 20.354 -5.275 3.300 1.00 0.49 H new ATOM 0 HD3 LYS B 31 20.301 -6.206 4.784 1.00 0.49 H new ATOM 0 HE2 LYS B 31 21.404 -7.229 2.138 1.00 1.20 H new ATOM 0 HE3 LYS B 31 22.380 -6.582 3.442 1.00 1.20 H new ATOM 0 HZ1 LYS B 31 22.325 -8.979 3.517 1.00 1.72 H new ATOM 0 HZ2 LYS B 31 21.551 -8.349 4.891 1.00 1.72 H new ATOM 0 HZ3 LYS B 31 20.630 -8.981 3.612 1.00 1.72 H new ATOM 2765 N SER B 32 18.063 -8.763 -0.671 1.00 0.25 N ATOM 2766 CA SER B 32 18.270 -9.099 -2.078 1.00 0.27 C ATOM 2767 C SER B 32 16.969 -9.050 -2.888 1.00 0.24 C ATOM 2768 O SER B 32 16.950 -8.552 -4.016 1.00 0.27 O ATOM 2769 CB SER B 32 18.901 -10.492 -2.185 1.00 0.35 C ATOM 2770 OG SER B 32 18.794 -11.017 -3.501 1.00 1.27 O ATOM 0 H SER B 32 18.336 -9.504 -0.025 1.00 0.25 H new ATOM 0 HA SER B 32 18.940 -8.350 -2.500 1.00 0.27 H new ATOM 0 HB2 SER B 32 19.951 -10.439 -1.899 1.00 0.35 H new ATOM 0 HB3 SER B 32 18.413 -11.168 -1.483 1.00 0.35 H new ATOM 0 HG SER B 32 17.958 -11.521 -3.585 1.00 1.27 H new ATOM 2776 N GLU B 33 15.888 -9.549 -2.308 1.00 0.25 N ATOM 2777 CA GLU B 33 14.644 -9.714 -3.048 1.00 0.27 C ATOM 2778 C GLU B 33 13.958 -8.370 -3.235 1.00 0.24 C ATOM 2779 O GLU B 33 13.488 -8.044 -4.326 1.00 0.26 O ATOM 2780 CB GLU B 33 13.717 -10.689 -2.324 1.00 0.34 C ATOM 2781 CG GLU B 33 14.417 -11.943 -1.816 1.00 0.47 C ATOM 2782 CD GLU B 33 15.201 -12.681 -2.889 1.00 0.83 C ATOM 2783 OE1 GLU B 33 16.330 -12.248 -3.210 1.00 1.65 O ATOM 2784 OE2 GLU B 33 14.706 -13.711 -3.388 1.00 1.43 O ATOM 0 H GLU B 33 15.845 -9.845 -1.333 1.00 0.25 H new ATOM 0 HA GLU B 33 14.877 -10.125 -4.030 1.00 0.27 H new ATOM 0 HB2 GLU B 33 13.253 -10.177 -1.481 1.00 0.34 H new ATOM 0 HB3 GLU B 33 12.914 -10.982 -3.000 1.00 0.34 H new ATOM 0 HG2 GLU B 33 15.094 -11.668 -1.008 1.00 0.47 H new ATOM 0 HG3 GLU B 33 13.673 -12.618 -1.393 1.00 0.47 H new ATOM 2791 N LEU B 34 13.919 -7.586 -2.164 1.00 0.21 N ATOM 2792 CA LEU B 34 13.381 -6.235 -2.229 1.00 0.21 C ATOM 2793 C LEU B 34 14.239 -5.373 -3.139 1.00 0.20 C ATOM 2794 O LEU B 34 13.735 -4.525 -3.866 1.00 0.24 O ATOM 2795 CB LEU B 34 13.322 -5.615 -0.838 1.00 0.21 C ATOM 2796 CG LEU B 34 12.104 -5.983 -0.002 1.00 0.21 C ATOM 2797 CD1 LEU B 34 12.326 -5.569 1.439 1.00 0.24 C ATOM 2798 CD2 LEU B 34 10.871 -5.297 -0.564 1.00 0.21 C ATOM 0 H LEU B 34 14.254 -7.864 -1.241 1.00 0.21 H new ATOM 0 HA LEU B 34 12.370 -6.287 -2.633 1.00 0.21 H new ATOM 0 HB2 LEU B 34 14.218 -5.909 -0.291 1.00 0.21 H new ATOM 0 HB3 LEU B 34 13.354 -4.530 -0.942 1.00 0.21 H new ATOM 0 HG LEU B 34 11.954 -7.062 -0.037 1.00 0.21 H new ATOM 0 HD11 LEU B 34 11.451 -5.835 2.033 1.00 0.24 H new ATOM 0 HD12 LEU B 34 13.202 -6.083 1.834 1.00 0.24 H new ATOM 0 HD13 LEU B 34 12.484 -4.492 1.488 1.00 0.24 H new ATOM 0 HD21 LEU B 34 10.001 -5.563 0.037 1.00 0.21 H new ATOM 0 HD22 LEU B 34 11.013 -4.217 -0.539 1.00 0.21 H new ATOM 0 HD23 LEU B 34 10.713 -5.619 -1.593 1.00 0.21 H new ATOM 2810 N LYS B 35 15.540 -5.607 -3.079 1.00 0.21 N ATOM 2811 CA LYS B 35 16.497 -4.922 -3.926 1.00 0.26 C ATOM 2812 C LYS B 35 16.070 -4.976 -5.378 1.00 0.22 C ATOM 2813 O LYS B 35 15.773 -3.947 -5.980 1.00 0.24 O ATOM 2814 CB LYS B 35 17.871 -5.559 -3.751 1.00 0.37 C ATOM 2815 CG LYS B 35 18.980 -4.878 -4.519 1.00 0.54 C ATOM 2816 CD LYS B 35 20.328 -5.395 -4.053 1.00 0.68 C ATOM 2817 CE LYS B 35 21.470 -4.555 -4.584 1.00 0.61 C ATOM 2818 NZ LYS B 35 22.775 -4.987 -4.019 1.00 0.95 N ATOM 0 H LYS B 35 15.961 -6.280 -2.439 1.00 0.21 H new ATOM 0 HA LYS B 35 16.543 -3.873 -3.632 1.00 0.26 H new ATOM 0 HB2 LYS B 35 18.126 -5.557 -2.691 1.00 0.37 H new ATOM 0 HB3 LYS B 35 17.817 -6.602 -4.064 1.00 0.37 H new ATOM 0 HG2 LYS B 35 18.860 -5.062 -5.587 1.00 0.54 H new ATOM 0 HG3 LYS B 35 18.925 -3.799 -4.373 1.00 0.54 H new ATOM 0 HD2 LYS B 35 20.358 -5.400 -2.963 1.00 0.68 H new ATOM 0 HD3 LYS B 35 20.454 -6.427 -4.380 1.00 0.68 H new ATOM 0 HE2 LYS B 35 21.501 -4.628 -5.671 1.00 0.61 H new ATOM 0 HE3 LYS B 35 21.296 -3.507 -4.340 1.00 0.61 H new ATOM 0 HZ1 LYS B 35 23.535 -4.390 -4.404 1.00 0.95 H new ATOM 0 HZ2 LYS B 35 22.753 -4.894 -2.983 1.00 0.95 H new ATOM 0 HZ3 LYS B 35 22.952 -5.980 -4.273 1.00 0.95 H new ATOM 2832 N GLU B 36 15.998 -6.178 -5.926 1.00 0.22 N ATOM 2833 CA GLU B 36 15.633 -6.338 -7.319 1.00 0.24 C ATOM 2834 C GLU B 36 14.215 -5.829 -7.550 1.00 0.25 C ATOM 2835 O GLU B 36 13.926 -5.218 -8.579 1.00 0.32 O ATOM 2836 CB GLU B 36 15.738 -7.792 -7.741 1.00 0.28 C ATOM 2837 CG GLU B 36 15.866 -7.948 -9.243 1.00 0.65 C ATOM 2838 CD GLU B 36 16.083 -9.379 -9.685 1.00 0.77 C ATOM 2839 OE1 GLU B 36 17.181 -9.923 -9.440 1.00 1.48 O ATOM 2840 OE2 GLU B 36 15.170 -9.963 -10.304 1.00 1.30 O ATOM 0 H GLU B 36 16.186 -7.049 -5.430 1.00 0.22 H new ATOM 0 HA GLU B 36 16.326 -5.754 -7.924 1.00 0.24 H new ATOM 0 HB2 GLU B 36 16.602 -8.247 -7.256 1.00 0.28 H new ATOM 0 HB3 GLU B 36 14.857 -8.333 -7.396 1.00 0.28 H new ATOM 0 HG2 GLU B 36 14.964 -7.562 -9.719 1.00 0.65 H new ATOM 0 HG3 GLU B 36 16.698 -7.337 -9.594 1.00 0.65 H new ATOM 2847 N LEU B 37 13.351 -6.077 -6.573 1.00 0.23 N ATOM 2848 CA LEU B 37 11.976 -5.588 -6.595 1.00 0.26 C ATOM 2849 C LEU B 37 11.944 -4.099 -6.934 1.00 0.22 C ATOM 2850 O LEU B 37 11.369 -3.686 -7.945 1.00 0.22 O ATOM 2851 CB LEU B 37 11.331 -5.802 -5.223 1.00 0.32 C ATOM 2852 CG LEU B 37 9.811 -5.682 -5.178 1.00 0.41 C ATOM 2853 CD1 LEU B 37 9.173 -7.049 -5.347 1.00 0.34 C ATOM 2854 CD2 LEU B 37 9.363 -5.034 -3.877 1.00 0.74 C ATOM 0 H LEU B 37 13.583 -6.623 -5.743 1.00 0.23 H new ATOM 0 HA LEU B 37 11.424 -6.140 -7.356 1.00 0.26 H new ATOM 0 HB2 LEU B 37 11.609 -6.792 -4.862 1.00 0.32 H new ATOM 0 HB3 LEU B 37 11.755 -5.078 -4.527 1.00 0.32 H new ATOM 0 HG LEU B 37 9.487 -5.045 -6.001 1.00 0.41 H new ATOM 0 HD11 LEU B 37 8.088 -6.951 -5.313 1.00 0.34 H new ATOM 0 HD12 LEU B 37 9.469 -7.473 -6.307 1.00 0.34 H new ATOM 0 HD13 LEU B 37 9.503 -7.706 -4.543 1.00 0.34 H new ATOM 0 HD21 LEU B 37 8.276 -4.957 -3.864 1.00 0.74 H new ATOM 0 HD22 LEU B 37 9.694 -5.642 -3.035 1.00 0.74 H new ATOM 0 HD23 LEU B 37 9.798 -4.038 -3.798 1.00 0.74 H new ATOM 2866 N LEU B 38 12.596 -3.307 -6.092 1.00 0.19 N ATOM 2867 CA LEU B 38 12.613 -1.864 -6.249 1.00 0.19 C ATOM 2868 C LEU B 38 13.433 -1.434 -7.462 1.00 0.19 C ATOM 2869 O LEU B 38 13.049 -0.512 -8.162 1.00 0.21 O ATOM 2870 CB LEU B 38 13.133 -1.188 -4.981 1.00 0.19 C ATOM 2871 CG LEU B 38 12.127 -1.090 -3.832 1.00 0.19 C ATOM 2872 CD1 LEU B 38 12.506 -2.031 -2.704 1.00 0.20 C ATOM 2873 CD2 LEU B 38 12.037 0.339 -3.327 1.00 0.20 C ATOM 0 H LEU B 38 13.123 -3.647 -5.288 1.00 0.19 H new ATOM 0 HA LEU B 38 11.585 -1.544 -6.419 1.00 0.19 H new ATOM 0 HB2 LEU B 38 14.008 -1.735 -4.630 1.00 0.19 H new ATOM 0 HB3 LEU B 38 13.467 -0.182 -5.236 1.00 0.19 H new ATOM 0 HG LEU B 38 11.148 -1.387 -4.208 1.00 0.19 H new ATOM 0 HD11 LEU B 38 11.777 -1.945 -1.898 1.00 0.20 H new ATOM 0 HD12 LEU B 38 12.518 -3.056 -3.074 1.00 0.20 H new ATOM 0 HD13 LEU B 38 13.495 -1.769 -2.328 1.00 0.20 H new ATOM 0 HD21 LEU B 38 11.317 0.392 -2.510 1.00 0.20 H new ATOM 0 HD22 LEU B 38 13.015 0.661 -2.970 1.00 0.20 H new ATOM 0 HD23 LEU B 38 11.714 0.992 -4.138 1.00 0.20 H new ATOM 2885 N THR B 39 14.545 -2.106 -7.734 1.00 0.20 N ATOM 2886 CA THR B 39 15.395 -1.712 -8.861 1.00 0.22 C ATOM 2887 C THR B 39 14.646 -1.830 -10.183 1.00 0.23 C ATOM 2888 O THR B 39 14.872 -1.060 -11.114 1.00 0.27 O ATOM 2889 CB THR B 39 16.685 -2.555 -8.949 1.00 0.25 C ATOM 2890 OG1 THR B 39 16.373 -3.945 -9.093 1.00 0.30 O ATOM 2891 CG2 THR B 39 17.544 -2.358 -7.720 1.00 0.27 C ATOM 0 H THR B 39 14.878 -2.911 -7.204 1.00 0.20 H new ATOM 0 HA THR B 39 15.669 -0.673 -8.680 1.00 0.22 H new ATOM 0 HB THR B 39 17.239 -2.219 -9.826 1.00 0.25 H new ATOM 0 HG1 THR B 39 15.414 -4.082 -8.947 1.00 0.30 H new ATOM 0 HG21 THR B 39 18.447 -2.963 -7.806 1.00 0.27 H new ATOM 0 HG22 THR B 39 17.818 -1.307 -7.633 1.00 0.27 H new ATOM 0 HG23 THR B 39 16.987 -2.663 -6.834 1.00 0.27 H new ATOM 2899 N ARG B 40 13.755 -2.802 -10.254 1.00 0.24 N ATOM 2900 CA ARG B 40 13.030 -3.086 -11.476 1.00 0.27 C ATOM 2901 C ARG B 40 11.714 -2.319 -11.547 1.00 0.27 C ATOM 2902 O ARG B 40 11.500 -1.516 -12.456 1.00 0.30 O ATOM 2903 CB ARG B 40 12.781 -4.588 -11.575 1.00 0.31 C ATOM 2904 CG ARG B 40 14.052 -5.393 -11.786 1.00 0.34 C ATOM 2905 CD ARG B 40 14.690 -5.078 -13.127 1.00 0.44 C ATOM 2906 NE ARG B 40 13.859 -5.539 -14.239 1.00 0.64 N ATOM 2907 CZ ARG B 40 13.672 -4.865 -15.374 1.00 0.87 C ATOM 2908 NH1 ARG B 40 14.219 -3.667 -15.542 1.00 1.22 N ATOM 2909 NH2 ARG B 40 12.922 -5.388 -16.338 1.00 1.06 N ATOM 0 H ARG B 40 13.516 -3.412 -9.472 1.00 0.24 H new ATOM 0 HA ARG B 40 13.636 -2.757 -12.320 1.00 0.27 H new ATOM 0 HB2 ARG B 40 12.290 -4.929 -10.664 1.00 0.31 H new ATOM 0 HB3 ARG B 40 12.095 -4.782 -12.399 1.00 0.31 H new ATOM 0 HG2 ARG B 40 14.759 -5.177 -10.985 1.00 0.34 H new ATOM 0 HG3 ARG B 40 13.824 -6.457 -11.731 1.00 0.34 H new ATOM 0 HD2 ARG B 40 14.849 -4.003 -13.212 1.00 0.44 H new ATOM 0 HD3 ARG B 40 15.671 -5.551 -13.184 1.00 0.44 H new ATOM 0 HE ARG B 40 13.390 -6.439 -14.139 1.00 0.64 H new ATOM 0 HH11 ARG B 40 14.786 -3.257 -14.800 1.00 1.22 H new ATOM 0 HH12 ARG B 40 14.072 -3.157 -16.413 1.00 1.22 H new ATOM 0 HH21 ARG B 40 12.491 -6.303 -16.209 1.00 1.06 H new ATOM 0 HH22 ARG B 40 12.777 -4.874 -17.207 1.00 1.06 H new ATOM 2923 N GLU B 41 10.837 -2.564 -10.584 1.00 0.27 N ATOM 2924 CA GLU B 41 9.482 -2.039 -10.645 1.00 0.30 C ATOM 2925 C GLU B 41 9.266 -0.805 -9.773 1.00 0.34 C ATOM 2926 O GLU B 41 8.204 -0.207 -9.824 1.00 0.46 O ATOM 2927 CB GLU B 41 8.471 -3.137 -10.325 1.00 0.36 C ATOM 2928 CG GLU B 41 8.133 -3.981 -11.545 1.00 0.45 C ATOM 2929 CD GLU B 41 7.472 -5.300 -11.205 1.00 0.83 C ATOM 2930 OE1 GLU B 41 6.328 -5.293 -10.709 1.00 1.59 O ATOM 2931 OE2 GLU B 41 8.099 -6.355 -11.450 1.00 1.54 O ATOM 0 H GLU B 41 11.039 -3.121 -9.754 1.00 0.27 H new ATOM 0 HA GLU B 41 9.323 -1.701 -11.669 1.00 0.30 H new ATOM 0 HB2 GLU B 41 8.871 -3.779 -9.541 1.00 0.36 H new ATOM 0 HB3 GLU B 41 7.559 -2.686 -9.933 1.00 0.36 H new ATOM 0 HG2 GLU B 41 7.473 -3.411 -12.199 1.00 0.45 H new ATOM 0 HG3 GLU B 41 9.047 -4.176 -12.106 1.00 0.45 H new ATOM 2938 N LEU B 42 10.249 -0.427 -8.962 1.00 0.27 N ATOM 2939 CA LEU B 42 10.147 0.819 -8.188 1.00 0.28 C ATOM 2940 C LEU B 42 11.376 1.716 -8.395 1.00 0.27 C ATOM 2941 O LEU B 42 11.863 2.320 -7.440 1.00 0.26 O ATOM 2942 CB LEU B 42 10.005 0.532 -6.684 1.00 0.27 C ATOM 2943 CG LEU B 42 8.780 -0.277 -6.262 1.00 0.27 C ATOM 2944 CD1 LEU B 42 9.020 -1.758 -6.456 1.00 0.26 C ATOM 2945 CD2 LEU B 42 8.425 0.017 -4.814 1.00 0.32 C ATOM 0 H LEU B 42 11.113 -0.950 -8.820 1.00 0.27 H new ATOM 0 HA LEU B 42 9.257 1.334 -8.551 1.00 0.28 H new ATOM 0 HB2 LEU B 42 10.897 0.001 -6.351 1.00 0.27 H new ATOM 0 HB3 LEU B 42 9.985 1.484 -6.154 1.00 0.27 H new ATOM 0 HG LEU B 42 7.942 0.018 -6.894 1.00 0.27 H new ATOM 0 HD11 LEU B 42 8.134 -2.313 -6.149 1.00 0.26 H new ATOM 0 HD12 LEU B 42 9.227 -1.958 -7.507 1.00 0.26 H new ATOM 0 HD13 LEU B 42 9.872 -2.071 -5.852 1.00 0.26 H new ATOM 0 HD21 LEU B 42 7.550 -0.567 -4.528 1.00 0.32 H new ATOM 0 HD22 LEU B 42 9.265 -0.250 -4.172 1.00 0.32 H new ATOM 0 HD23 LEU B 42 8.205 1.079 -4.702 1.00 0.32 H new ATOM 2957 N PRO B 43 11.873 1.867 -9.642 1.00 0.31 N ATOM 2958 CA PRO B 43 13.165 2.511 -9.881 1.00 0.33 C ATOM 2959 C PRO B 43 13.117 4.017 -9.651 1.00 0.33 C ATOM 2960 O PRO B 43 14.144 4.651 -9.401 1.00 0.36 O ATOM 2961 CB PRO B 43 13.464 2.191 -11.343 1.00 0.41 C ATOM 2962 CG PRO B 43 12.133 1.984 -11.978 1.00 0.51 C ATOM 2963 CD PRO B 43 11.210 1.480 -10.900 1.00 0.35 C ATOM 0 HA PRO B 43 13.931 2.150 -9.195 1.00 0.33 H new ATOM 0 HB2 PRO B 43 14.006 3.007 -11.822 1.00 0.41 H new ATOM 0 HB3 PRO B 43 14.085 1.300 -11.432 1.00 0.41 H new ATOM 0 HG2 PRO B 43 11.759 2.915 -12.403 1.00 0.51 H new ATOM 0 HG3 PRO B 43 12.202 1.266 -12.795 1.00 0.51 H new ATOM 0 HD2 PRO B 43 10.220 1.929 -10.982 1.00 0.35 H new ATOM 0 HD3 PRO B 43 11.077 0.400 -10.963 1.00 0.35 H new ATOM 2971 N SER B 44 11.922 4.580 -9.725 1.00 0.36 N ATOM 2972 CA SER B 44 11.736 6.002 -9.501 1.00 0.39 C ATOM 2973 C SER B 44 11.807 6.329 -8.012 1.00 0.35 C ATOM 2974 O SER B 44 12.191 7.430 -7.629 1.00 0.40 O ATOM 2975 CB SER B 44 10.393 6.450 -10.084 1.00 0.46 C ATOM 2976 OG SER B 44 9.342 5.612 -9.635 1.00 1.09 O ATOM 0 H SER B 44 11.064 4.071 -9.939 1.00 0.36 H new ATOM 0 HA SER B 44 12.538 6.542 -10.004 1.00 0.39 H new ATOM 0 HB2 SER B 44 10.191 7.481 -9.793 1.00 0.46 H new ATOM 0 HB3 SER B 44 10.440 6.430 -11.173 1.00 0.46 H new ATOM 0 HG SER B 44 9.270 4.833 -10.225 1.00 1.09 H new ATOM 2982 N PHE B 45 11.470 5.354 -7.180 1.00 0.30 N ATOM 2983 CA PHE B 45 11.384 5.555 -5.741 1.00 0.28 C ATOM 2984 C PHE B 45 12.692 5.236 -5.032 1.00 0.28 C ATOM 2985 O PHE B 45 12.672 4.931 -3.855 1.00 0.27 O ATOM 2986 CB PHE B 45 10.313 4.645 -5.139 1.00 0.31 C ATOM 2987 CG PHE B 45 8.960 4.746 -5.769 1.00 0.28 C ATOM 2988 CD1 PHE B 45 8.080 5.739 -5.390 1.00 1.28 C ATOM 2989 CD2 PHE B 45 8.557 3.821 -6.716 1.00 1.17 C ATOM 2990 CE1 PHE B 45 6.820 5.810 -5.939 1.00 1.34 C ATOM 2991 CE2 PHE B 45 7.302 3.889 -7.277 1.00 1.18 C ATOM 2992 CZ PHE B 45 6.430 4.882 -6.889 1.00 0.47 C ATOM 0 H PHE B 45 11.249 4.405 -7.482 1.00 0.30 H new ATOM 0 HA PHE B 45 11.140 6.608 -5.597 1.00 0.28 H new ATOM 0 HB2 PHE B 45 10.654 3.612 -5.213 1.00 0.31 H new ATOM 0 HB3 PHE B 45 10.219 4.875 -4.078 1.00 0.31 H new ATOM 0 HD1 PHE B 45 8.384 6.469 -4.654 1.00 1.28 H new ATOM 0 HD2 PHE B 45 9.235 3.037 -7.018 1.00 1.17 H new ATOM 0 HE1 PHE B 45 6.137 6.588 -5.629 1.00 1.34 H new ATOM 0 HE2 PHE B 45 7.002 3.165 -8.020 1.00 1.18 H new ATOM 0 HZ PHE B 45 5.444 4.936 -7.325 1.00 0.47 H new ATOM 3002 N LEU B 46 13.825 5.300 -5.701 1.00 0.32 N ATOM 3003 CA LEU B 46 15.053 4.866 -5.046 1.00 0.33 C ATOM 3004 C LEU B 46 15.902 6.033 -4.549 1.00 0.39 C ATOM 3005 O LEU B 46 16.760 5.842 -3.689 1.00 0.47 O ATOM 3006 CB LEU B 46 15.862 3.934 -5.949 1.00 0.35 C ATOM 3007 CG LEU B 46 15.147 2.627 -6.315 1.00 0.32 C ATOM 3008 CD1 LEU B 46 16.145 1.574 -6.769 1.00 0.41 C ATOM 3009 CD2 LEU B 46 14.308 2.125 -5.140 1.00 0.30 C ATOM 0 H LEU B 46 13.928 5.633 -6.660 1.00 0.32 H new ATOM 0 HA LEU B 46 14.752 4.305 -4.161 1.00 0.33 H new ATOM 0 HB2 LEU B 46 16.113 4.466 -6.867 1.00 0.35 H new ATOM 0 HB3 LEU B 46 16.802 3.693 -5.453 1.00 0.35 H new ATOM 0 HG LEU B 46 14.473 2.826 -7.148 1.00 0.32 H new ATOM 0 HD11 LEU B 46 15.615 0.656 -7.023 1.00 0.41 H new ATOM 0 HD12 LEU B 46 16.683 1.937 -7.645 1.00 0.41 H new ATOM 0 HD13 LEU B 46 16.853 1.373 -5.965 1.00 0.41 H new ATOM 0 HD21 LEU B 46 13.809 1.197 -5.419 1.00 0.30 H new ATOM 0 HD22 LEU B 46 14.955 1.945 -4.282 1.00 0.30 H new ATOM 0 HD23 LEU B 46 13.561 2.875 -4.880 1.00 0.30 H new ATOM 3021 N GLY B 47 15.663 7.223 -5.090 1.00 0.41 N ATOM 3022 CA GLY B 47 16.352 8.442 -4.648 1.00 0.49 C ATOM 3023 C GLY B 47 17.835 8.470 -4.985 1.00 0.53 C ATOM 3024 O GLY B 47 18.402 9.528 -5.268 1.00 0.60 O ATOM 0 H GLY B 47 14.992 7.375 -5.843 1.00 0.41 H new ATOM 0 HA2 GLY B 47 15.869 9.306 -5.105 1.00 0.49 H new ATOM 0 HA3 GLY B 47 16.233 8.544 -3.569 1.00 0.49 H new ATOM 3028 N LYS B 48 18.452 7.309 -4.948 1.00 0.54 N ATOM 3029 CA LYS B 48 19.817 7.120 -5.393 1.00 0.67 C ATOM 3030 C LYS B 48 19.936 5.747 -6.037 1.00 0.70 C ATOM 3031 O LYS B 48 19.896 5.614 -7.261 1.00 1.18 O ATOM 3032 CB LYS B 48 20.799 7.233 -4.217 1.00 0.82 C ATOM 3033 CG LYS B 48 22.242 6.940 -4.600 1.00 1.41 C ATOM 3034 CD LYS B 48 23.092 6.611 -3.383 1.00 2.04 C ATOM 3035 CE LYS B 48 24.525 6.280 -3.773 1.00 2.61 C ATOM 3036 NZ LYS B 48 24.610 5.114 -4.699 1.00 3.21 N ATOM 0 H LYS B 48 18.013 6.456 -4.602 1.00 0.54 H new ATOM 0 HA LYS B 48 20.067 7.897 -6.115 1.00 0.67 H new ATOM 0 HB2 LYS B 48 20.739 8.238 -3.800 1.00 0.82 H new ATOM 0 HB3 LYS B 48 20.493 6.543 -3.431 1.00 0.82 H new ATOM 0 HG2 LYS B 48 22.270 6.105 -5.300 1.00 1.41 H new ATOM 0 HG3 LYS B 48 22.664 7.803 -5.116 1.00 1.41 H new ATOM 0 HD2 LYS B 48 23.088 7.457 -2.696 1.00 2.04 H new ATOM 0 HD3 LYS B 48 22.655 5.766 -2.851 1.00 2.04 H new ATOM 0 HE2 LYS B 48 24.979 7.150 -4.247 1.00 2.61 H new ATOM 0 HE3 LYS B 48 25.103 6.069 -2.874 1.00 2.61 H new ATOM 0 HZ1 LYS B 48 25.605 4.834 -4.814 1.00 3.21 H new ATOM 0 HZ2 LYS B 48 24.069 4.318 -4.305 1.00 3.21 H new ATOM 0 HZ3 LYS B 48 24.215 5.376 -5.625 1.00 3.21 H new ATOM 3050 N ARG B 49 20.020 4.731 -5.187 1.00 0.54 N ATOM 3051 CA ARG B 49 20.158 3.350 -5.617 1.00 0.54 C ATOM 3052 C ARG B 49 20.278 2.456 -4.393 1.00 0.51 C ATOM 3053 O ARG B 49 20.866 2.852 -3.387 1.00 0.55 O ATOM 3054 CB ARG B 49 21.392 3.171 -6.510 1.00 0.66 C ATOM 3055 CG ARG B 49 21.418 1.840 -7.244 1.00 0.74 C ATOM 3056 CD ARG B 49 20.084 1.583 -7.919 1.00 0.73 C ATOM 3057 NE ARG B 49 20.118 0.447 -8.835 1.00 1.28 N ATOM 3058 CZ ARG B 49 19.300 0.322 -9.882 1.00 1.46 C ATOM 3059 NH1 ARG B 49 18.405 1.267 -10.146 1.00 1.43 N ATOM 3060 NH2 ARG B 49 19.382 -0.747 -10.662 1.00 2.26 N ATOM 0 H ARG B 49 19.994 4.846 -4.174 1.00 0.54 H new ATOM 0 HA ARG B 49 19.277 3.075 -6.197 1.00 0.54 H new ATOM 0 HB2 ARG B 49 21.424 3.980 -7.239 1.00 0.66 H new ATOM 0 HB3 ARG B 49 22.290 3.258 -5.898 1.00 0.66 H new ATOM 0 HG2 ARG B 49 22.215 1.843 -7.988 1.00 0.74 H new ATOM 0 HG3 ARG B 49 21.639 1.035 -6.543 1.00 0.74 H new ATOM 0 HD2 ARG B 49 19.326 1.405 -7.157 1.00 0.73 H new ATOM 0 HD3 ARG B 49 19.782 2.476 -8.467 1.00 0.73 H new ATOM 0 HE ARG B 49 20.803 -0.290 -8.666 1.00 1.28 H new ATOM 0 HH11 ARG B 49 18.342 2.091 -9.548 1.00 1.43 H new ATOM 0 HH12 ARG B 49 17.781 1.169 -10.947 1.00 1.43 H new ATOM 0 HH21 ARG B 49 20.070 -1.473 -10.462 1.00 2.26 H new ATOM 0 HH22 ARG B 49 18.757 -0.843 -11.462 1.00 2.26 H new ATOM 3074 N THR B 50 19.697 1.274 -4.463 1.00 0.51 N ATOM 3075 CA THR B 50 19.812 0.322 -3.384 1.00 0.51 C ATOM 3076 C THR B 50 21.142 -0.423 -3.476 1.00 0.61 C ATOM 3077 O THR B 50 21.283 -1.377 -4.244 1.00 0.82 O ATOM 3078 CB THR B 50 18.643 -0.673 -3.426 1.00 0.57 C ATOM 3079 OG1 THR B 50 18.528 -1.223 -4.743 1.00 0.69 O ATOM 3080 CG2 THR B 50 17.338 0.010 -3.046 1.00 0.57 C ATOM 0 H THR B 50 19.142 0.953 -5.256 1.00 0.51 H new ATOM 0 HA THR B 50 19.778 0.862 -2.438 1.00 0.51 H new ATOM 0 HB THR B 50 18.841 -1.469 -2.708 1.00 0.57 H new ATOM 0 HG1 THR B 50 19.418 -1.465 -5.075 1.00 0.69 H new ATOM 0 HG21 THR B 50 16.524 -0.714 -3.083 1.00 0.57 H new ATOM 0 HG22 THR B 50 17.419 0.414 -2.037 1.00 0.57 H new ATOM 0 HG23 THR B 50 17.134 0.820 -3.746 1.00 0.57 H new ATOM 3088 N ASP B 51 22.115 0.038 -2.709 1.00 0.58 N ATOM 3089 CA ASP B 51 23.437 -0.575 -2.686 1.00 0.72 C ATOM 3090 C ASP B 51 23.604 -1.412 -1.424 1.00 0.60 C ATOM 3091 O ASP B 51 22.660 -1.568 -0.647 1.00 0.58 O ATOM 3092 CB ASP B 51 24.536 0.493 -2.739 1.00 0.91 C ATOM 3093 CG ASP B 51 24.435 1.397 -3.955 1.00 1.35 C ATOM 3094 OD1 ASP B 51 24.648 0.908 -5.086 1.00 1.98 O ATOM 3095 OD2 ASP B 51 24.151 2.603 -3.787 1.00 1.91 O ATOM 0 H ASP B 51 22.015 0.841 -2.088 1.00 0.58 H new ATOM 0 HA ASP B 51 23.528 -1.215 -3.563 1.00 0.72 H new ATOM 0 HB2 ASP B 51 24.485 1.102 -1.837 1.00 0.91 H new ATOM 0 HB3 ASP B 51 25.510 0.003 -2.739 1.00 0.91 H new ATOM 3100 N GLU B 52 24.808 -1.930 -1.218 1.00 0.68 N ATOM 3101 CA GLU B 52 25.113 -2.751 -0.051 1.00 0.66 C ATOM 3102 C GLU B 52 24.901 -1.971 1.248 1.00 0.55 C ATOM 3103 O GLU B 52 24.103 -2.378 2.099 1.00 0.50 O ATOM 3104 CB GLU B 52 26.556 -3.265 -0.126 1.00 0.83 C ATOM 3105 CG GLU B 52 26.749 -4.482 -1.026 1.00 1.57 C ATOM 3106 CD GLU B 52 26.223 -4.291 -2.437 1.00 2.22 C ATOM 3107 OE1 GLU B 52 26.657 -3.341 -3.121 1.00 2.89 O ATOM 3108 OE2 GLU B 52 25.363 -5.091 -2.864 1.00 2.79 O ATOM 0 H GLU B 52 25.597 -1.795 -1.850 1.00 0.68 H new ATOM 0 HA GLU B 52 24.430 -3.600 -0.051 1.00 0.66 H new ATOM 0 HB2 GLU B 52 27.197 -2.459 -0.484 1.00 0.83 H new ATOM 0 HB3 GLU B 52 26.891 -3.516 0.880 1.00 0.83 H new ATOM 0 HG2 GLU B 52 27.811 -4.722 -1.074 1.00 1.57 H new ATOM 0 HG3 GLU B 52 26.249 -5.339 -0.575 1.00 1.57 H new ATOM 3115 N ALA B 53 25.604 -0.849 1.396 1.00 0.58 N ATOM 3116 CA ALA B 53 25.485 -0.021 2.596 1.00 0.58 C ATOM 3117 C ALA B 53 24.151 0.713 2.635 1.00 0.53 C ATOM 3118 O ALA B 53 23.772 1.281 3.658 1.00 0.58 O ATOM 3119 CB ALA B 53 26.629 0.976 2.683 1.00 0.70 C ATOM 0 H ALA B 53 26.261 -0.493 0.702 1.00 0.58 H new ATOM 0 HA ALA B 53 25.534 -0.688 3.457 1.00 0.58 H new ATOM 0 HB1 ALA B 53 26.518 1.580 3.584 1.00 0.70 H new ATOM 0 HB2 ALA B 53 27.577 0.440 2.721 1.00 0.70 H new ATOM 0 HB3 ALA B 53 26.614 1.625 1.807 1.00 0.70 H new ATOM 3125 N ALA B 54 23.443 0.701 1.523 1.00 0.52 N ATOM 3126 CA ALA B 54 22.130 1.314 1.460 1.00 0.51 C ATOM 3127 C ALA B 54 21.076 0.366 2.016 1.00 0.39 C ATOM 3128 O ALA B 54 20.204 0.762 2.792 1.00 0.35 O ATOM 3129 CB ALA B 54 21.797 1.703 0.029 1.00 0.63 C ATOM 0 H ALA B 54 23.754 0.274 0.651 1.00 0.52 H new ATOM 0 HA ALA B 54 22.137 2.217 2.070 1.00 0.51 H new ATOM 0 HB1 ALA B 54 20.809 2.162 -0.003 1.00 0.63 H new ATOM 0 HB2 ALA B 54 22.539 2.413 -0.337 1.00 0.63 H new ATOM 0 HB3 ALA B 54 21.804 0.814 -0.601 1.00 0.63 H new ATOM 3135 N PHE B 55 21.175 -0.901 1.638 1.00 0.38 N ATOM 3136 CA PHE B 55 20.170 -1.880 2.012 1.00 0.32 C ATOM 3137 C PHE B 55 20.340 -2.363 3.443 1.00 0.31 C ATOM 3138 O PHE B 55 19.395 -2.895 4.031 1.00 0.31 O ATOM 3139 CB PHE B 55 20.172 -3.064 1.057 1.00 0.41 C ATOM 3140 CG PHE B 55 18.814 -3.314 0.485 1.00 0.36 C ATOM 3141 CD1 PHE B 55 17.821 -3.905 1.249 1.00 1.23 C ATOM 3142 CD2 PHE B 55 18.522 -2.931 -0.807 1.00 1.25 C ATOM 3143 CE1 PHE B 55 16.561 -4.113 0.730 1.00 1.30 C ATOM 3144 CE2 PHE B 55 17.266 -3.138 -1.333 1.00 1.22 C ATOM 3145 CZ PHE B 55 16.282 -3.729 -0.564 1.00 0.46 C ATOM 0 H PHE B 55 21.940 -1.272 1.074 1.00 0.38 H new ATOM 0 HA PHE B 55 19.206 -1.375 1.945 1.00 0.32 H new ATOM 0 HB2 PHE B 55 20.879 -2.878 0.248 1.00 0.41 H new ATOM 0 HB3 PHE B 55 20.515 -3.955 1.583 1.00 0.41 H new ATOM 0 HD1 PHE B 55 18.037 -4.206 2.263 1.00 1.23 H new ATOM 0 HD2 PHE B 55 19.285 -2.464 -1.412 1.00 1.25 H new ATOM 0 HE1 PHE B 55 15.795 -4.575 1.335 1.00 1.30 H new ATOM 0 HE2 PHE B 55 17.050 -2.838 -2.348 1.00 1.22 H new ATOM 0 HZ PHE B 55 15.297 -3.890 -0.976 1.00 0.46 H new ATOM 3155 N GLN B 56 21.529 -2.183 4.007 1.00 0.35 N ATOM 3156 CA GLN B 56 21.748 -2.517 5.411 1.00 0.41 C ATOM 3157 C GLN B 56 20.833 -1.661 6.279 1.00 0.42 C ATOM 3158 O GLN B 56 20.378 -2.087 7.340 1.00 0.52 O ATOM 3159 CB GLN B 56 23.212 -2.308 5.811 1.00 0.51 C ATOM 3160 CG GLN B 56 23.654 -0.855 5.771 1.00 0.53 C ATOM 3161 CD GLN B 56 25.102 -0.659 6.168 1.00 0.69 C ATOM 3162 OE1 GLN B 56 25.933 -1.647 5.895 1.00 1.15 O flip ATOM 3163 NE2 GLN B 56 25.473 0.383 6.708 1.00 1.53 N flip ATOM 0 H GLN B 56 22.347 -1.813 3.522 1.00 0.35 H new ATOM 0 HA GLN B 56 21.514 -3.571 5.560 1.00 0.41 H new ATOM 0 HB2 GLN B 56 23.364 -2.697 6.818 1.00 0.51 H new ATOM 0 HB3 GLN B 56 23.848 -2.891 5.145 1.00 0.51 H new ATOM 0 HG2 GLN B 56 23.504 -0.464 4.764 1.00 0.53 H new ATOM 0 HG3 GLN B 56 23.019 -0.271 6.437 1.00 0.53 H new ATOM 0 HE21 GLN B 56 24.800 1.124 6.903 1.00 1.53 H new ATOM 0 HE22 GLN B 56 26.454 0.505 6.961 1.00 1.53 H new ATOM 3172 N LYS B 57 20.562 -0.453 5.799 1.00 0.36 N ATOM 3173 CA LYS B 57 19.613 0.432 6.443 1.00 0.39 C ATOM 3174 C LYS B 57 18.210 0.145 5.937 1.00 0.34 C ATOM 3175 O LYS B 57 17.279 0.021 6.721 1.00 0.41 O ATOM 3176 CB LYS B 57 19.964 1.897 6.170 1.00 0.44 C ATOM 3177 CG LYS B 57 21.274 2.347 6.788 1.00 0.54 C ATOM 3178 CD LYS B 57 21.594 3.788 6.423 1.00 0.61 C ATOM 3179 CE LYS B 57 22.867 4.267 7.104 1.00 0.79 C ATOM 3180 NZ LYS B 57 22.732 4.306 8.585 1.00 1.27 N ATOM 0 H LYS B 57 20.993 -0.066 4.959 1.00 0.36 H new ATOM 0 HA LYS B 57 19.657 0.255 7.518 1.00 0.39 H new ATOM 0 HB2 LYS B 57 20.011 2.053 5.092 1.00 0.44 H new ATOM 0 HB3 LYS B 57 19.160 2.528 6.549 1.00 0.44 H new ATOM 0 HG2 LYS B 57 21.219 2.248 7.872 1.00 0.54 H new ATOM 0 HG3 LYS B 57 22.080 1.697 6.449 1.00 0.54 H new ATOM 0 HD2 LYS B 57 21.704 3.875 5.342 1.00 0.61 H new ATOM 0 HD3 LYS B 57 20.762 4.431 6.711 1.00 0.61 H new ATOM 0 HE2 LYS B 57 23.692 3.608 6.833 1.00 0.79 H new ATOM 0 HE3 LYS B 57 23.121 5.262 6.738 1.00 0.79 H new ATOM 0 HZ1 LYS B 57 23.527 4.838 8.992 1.00 1.27 H new ATOM 0 HZ2 LYS B 57 21.838 4.771 8.840 1.00 1.27 H new ATOM 0 HZ3 LYS B 57 22.736 3.336 8.960 1.00 1.27 H new ATOM 3194 N LEU B 58 18.077 0.017 4.620 1.00 0.27 N ATOM 3195 CA LEU B 58 16.772 -0.127 3.984 1.00 0.25 C ATOM 3196 C LEU B 58 15.970 -1.280 4.580 1.00 0.24 C ATOM 3197 O LEU B 58 14.903 -1.067 5.152 1.00 0.26 O ATOM 3198 CB LEU B 58 16.922 -0.317 2.474 1.00 0.22 C ATOM 3199 CG LEU B 58 15.596 -0.388 1.718 1.00 0.22 C ATOM 3200 CD1 LEU B 58 14.767 0.838 2.016 1.00 0.26 C ATOM 3201 CD2 LEU B 58 15.823 -0.505 0.225 1.00 0.23 C ATOM 0 H LEU B 58 18.863 0.010 3.969 1.00 0.27 H new ATOM 0 HA LEU B 58 16.221 0.794 4.174 1.00 0.25 H new ATOM 0 HB2 LEU B 58 17.513 0.506 2.072 1.00 0.22 H new ATOM 0 HB3 LEU B 58 17.483 -1.233 2.288 1.00 0.22 H new ATOM 0 HG LEU B 58 15.062 -1.278 2.052 1.00 0.22 H new ATOM 0 HD11 LEU B 58 13.823 0.780 1.473 1.00 0.26 H new ATOM 0 HD12 LEU B 58 14.567 0.891 3.086 1.00 0.26 H new ATOM 0 HD13 LEU B 58 15.311 1.730 1.704 1.00 0.26 H new ATOM 0 HD21 LEU B 58 14.862 -0.554 -0.286 1.00 0.23 H new ATOM 0 HD22 LEU B 58 16.378 0.364 -0.128 1.00 0.23 H new ATOM 0 HD23 LEU B 58 16.393 -1.410 0.013 1.00 0.23 H new ATOM 3213 N MET B 59 16.493 -2.487 4.449 1.00 0.24 N ATOM 3214 CA MET B 59 15.831 -3.681 4.971 1.00 0.27 C ATOM 3215 C MET B 59 15.493 -3.533 6.450 1.00 0.34 C ATOM 3216 O MET B 59 14.393 -3.862 6.881 1.00 0.41 O ATOM 3217 CB MET B 59 16.727 -4.898 4.752 1.00 0.28 C ATOM 3218 CG MET B 59 16.420 -6.092 5.648 1.00 0.30 C ATOM 3219 SD MET B 59 14.729 -6.700 5.506 1.00 0.31 S ATOM 3220 CE MET B 59 14.589 -6.970 3.747 1.00 0.25 C ATOM 0 H MET B 59 17.381 -2.672 3.983 1.00 0.24 H new ATOM 0 HA MET B 59 14.893 -3.815 4.432 1.00 0.27 H new ATOM 0 HB2 MET B 59 16.641 -5.212 3.712 1.00 0.28 H new ATOM 0 HB3 MET B 59 17.764 -4.601 4.910 1.00 0.28 H new ATOM 0 HG2 MET B 59 17.108 -6.902 5.405 1.00 0.30 H new ATOM 0 HG3 MET B 59 16.609 -5.813 6.685 1.00 0.30 H new ATOM 0 HE1 MET B 59 13.633 -7.446 3.527 1.00 0.25 H new ATOM 0 HE2 MET B 59 14.647 -6.014 3.226 1.00 0.25 H new ATOM 0 HE3 MET B 59 15.401 -7.615 3.412 1.00 0.25 H new ATOM 3230 N SER B 60 16.430 -2.997 7.212 1.00 0.39 N ATOM 3231 CA SER B 60 16.282 -2.901 8.655 1.00 0.51 C ATOM 3232 C SER B 60 15.275 -1.811 9.037 1.00 0.44 C ATOM 3233 O SER B 60 14.801 -1.753 10.174 1.00 0.51 O ATOM 3234 CB SER B 60 17.650 -2.628 9.277 1.00 0.70 C ATOM 3235 OG SER B 60 17.624 -2.770 10.685 1.00 1.36 O ATOM 0 H SER B 60 17.307 -2.619 6.853 1.00 0.39 H new ATOM 0 HA SER B 60 15.893 -3.844 9.039 1.00 0.51 H new ATOM 0 HB2 SER B 60 18.385 -3.314 8.856 1.00 0.70 H new ATOM 0 HB3 SER B 60 17.972 -1.619 9.019 1.00 0.70 H new ATOM 0 HG SER B 60 18.516 -2.590 11.049 1.00 1.36 H new ATOM 3241 N ASN B 61 14.935 -0.954 8.081 1.00 0.37 N ATOM 3242 CA ASN B 61 13.952 0.090 8.321 1.00 0.42 C ATOM 3243 C ASN B 61 12.567 -0.401 7.960 1.00 0.44 C ATOM 3244 O ASN B 61 11.570 0.155 8.411 1.00 0.64 O ATOM 3245 CB ASN B 61 14.300 1.367 7.567 1.00 0.46 C ATOM 3246 CG ASN B 61 15.230 2.264 8.365 1.00 0.47 C ATOM 3247 OD1 ASN B 61 14.786 3.120 9.123 1.00 0.96 O ATOM 3248 ND2 ASN B 61 16.529 2.071 8.209 1.00 0.92 N ATOM 0 H ASN B 61 15.324 -0.963 7.138 1.00 0.37 H new ATOM 0 HA ASN B 61 13.965 0.332 9.384 1.00 0.42 H new ATOM 0 HB2 ASN B 61 14.770 1.111 6.618 1.00 0.46 H new ATOM 0 HB3 ASN B 61 13.385 1.911 7.333 1.00 0.46 H new ATOM 0 HD21 ASN B 61 17.195 2.643 8.728 1.00 0.92 H new ATOM 0 HD22 ASN B 61 16.864 1.350 7.570 1.00 0.92 H new ATOM 3255 N LEU B 62 12.507 -1.449 7.153 1.00 0.33 N ATOM 3256 CA LEU B 62 11.249 -2.126 6.910 1.00 0.39 C ATOM 3257 C LEU B 62 11.031 -3.173 7.985 1.00 0.54 C ATOM 3258 O LEU B 62 10.114 -3.065 8.796 1.00 1.18 O ATOM 3259 CB LEU B 62 11.229 -2.791 5.530 1.00 0.35 C ATOM 3260 CG LEU B 62 10.848 -1.885 4.360 1.00 0.25 C ATOM 3261 CD1 LEU B 62 9.571 -1.120 4.672 1.00 0.24 C ATOM 3262 CD2 LEU B 62 11.980 -0.939 4.000 1.00 0.22 C ATOM 0 H LEU B 62 13.308 -1.844 6.661 1.00 0.33 H new ATOM 0 HA LEU B 62 10.449 -1.386 6.937 1.00 0.39 H new ATOM 0 HB2 LEU B 62 12.217 -3.209 5.335 1.00 0.35 H new ATOM 0 HB3 LEU B 62 10.530 -3.627 5.560 1.00 0.35 H new ATOM 0 HG LEU B 62 10.664 -2.516 3.491 1.00 0.25 H new ATOM 0 HD11 LEU B 62 9.315 -0.480 3.828 1.00 0.24 H new ATOM 0 HD12 LEU B 62 8.759 -1.825 4.852 1.00 0.24 H new ATOM 0 HD13 LEU B 62 9.722 -0.506 5.560 1.00 0.24 H new ATOM 0 HD21 LEU B 62 11.676 -0.309 3.164 1.00 0.22 H new ATOM 0 HD22 LEU B 62 12.217 -0.312 4.859 1.00 0.22 H new ATOM 0 HD23 LEU B 62 12.861 -1.516 3.718 1.00 0.22 H new ATOM 3274 N ASP B 63 11.921 -4.152 8.005 1.00 0.31 N ATOM 3275 CA ASP B 63 11.834 -5.277 8.923 1.00 0.33 C ATOM 3276 C ASP B 63 11.942 -4.807 10.368 1.00 0.37 C ATOM 3277 O ASP B 63 13.010 -4.397 10.823 1.00 0.43 O ATOM 3278 CB ASP B 63 12.946 -6.279 8.608 1.00 0.40 C ATOM 3279 CG ASP B 63 12.855 -7.546 9.432 1.00 0.38 C ATOM 3280 OD1 ASP B 63 11.824 -7.758 10.105 1.00 1.15 O ATOM 3281 OD2 ASP B 63 13.817 -8.340 9.403 1.00 1.08 O ATOM 0 H ASP B 63 12.728 -4.189 7.382 1.00 0.31 H new ATOM 0 HA ASP B 63 10.865 -5.759 8.797 1.00 0.33 H new ATOM 0 HB2 ASP B 63 12.905 -6.537 7.550 1.00 0.40 H new ATOM 0 HB3 ASP B 63 13.913 -5.807 8.784 1.00 0.40 H new ATOM 3286 N SER B 64 10.827 -4.854 11.082 1.00 0.43 N ATOM 3287 CA SER B 64 10.793 -4.444 12.476 1.00 0.52 C ATOM 3288 C SER B 64 11.440 -5.510 13.353 1.00 0.58 C ATOM 3289 O SER B 64 11.880 -5.237 14.469 1.00 0.71 O ATOM 3290 CB SER B 64 9.347 -4.194 12.910 1.00 0.67 C ATOM 3291 OG SER B 64 9.286 -3.603 14.195 1.00 1.14 O ATOM 0 H SER B 64 9.930 -5.174 10.716 1.00 0.43 H new ATOM 0 HA SER B 64 11.356 -3.518 12.590 1.00 0.52 H new ATOM 0 HB2 SER B 64 8.856 -3.544 12.186 1.00 0.67 H new ATOM 0 HB3 SER B 64 8.799 -5.136 12.915 1.00 0.67 H new ATOM 0 HG SER B 64 8.350 -3.455 14.443 1.00 1.14 H new ATOM 3297 N ASN B 65 11.514 -6.724 12.827 1.00 0.60 N ATOM 3298 CA ASN B 65 12.137 -7.834 13.535 1.00 0.75 C ATOM 3299 C ASN B 65 13.652 -7.757 13.375 1.00 0.76 C ATOM 3300 O ASN B 65 14.408 -8.298 14.185 1.00 0.91 O ATOM 3301 CB ASN B 65 11.602 -9.155 12.973 1.00 0.89 C ATOM 3302 CG ASN B 65 12.219 -10.388 13.606 1.00 1.52 C ATOM 3303 OD1 ASN B 65 12.540 -10.413 14.794 1.00 1.87 O ATOM 3304 ND2 ASN B 65 12.391 -11.426 12.804 1.00 2.34 N ATOM 0 H ASN B 65 11.148 -6.967 11.906 1.00 0.60 H new ATOM 0 HA ASN B 65 11.897 -7.779 14.597 1.00 0.75 H new ATOM 0 HB2 ASN B 65 10.522 -9.188 13.115 1.00 0.89 H new ATOM 0 HB3 ASN B 65 11.783 -9.181 11.898 1.00 0.89 H new ATOM 0 HD21 ASN B 65 12.803 -12.287 13.165 1.00 2.34 H new ATOM 0 HD22 ASN B 65 12.112 -11.366 11.825 1.00 2.34 H new ATOM 3311 N ARG B 66 14.077 -7.042 12.336 1.00 0.68 N ATOM 3312 CA ARG B 66 15.490 -6.847 12.023 1.00 0.81 C ATOM 3313 C ARG B 66 16.230 -8.178 11.935 1.00 0.88 C ATOM 3314 O ARG B 66 17.131 -8.459 12.728 1.00 1.11 O ATOM 3315 CB ARG B 66 16.160 -5.930 13.048 1.00 1.04 C ATOM 3316 CG ARG B 66 15.629 -4.505 13.031 1.00 1.10 C ATOM 3317 CD ARG B 66 16.399 -3.617 13.992 1.00 1.39 C ATOM 3318 NE ARG B 66 15.945 -2.229 13.946 1.00 2.08 N ATOM 3319 CZ ARG B 66 16.735 -1.179 14.163 1.00 2.77 C ATOM 3320 NH1 ARG B 66 18.019 -1.357 14.456 1.00 2.86 N ATOM 3321 NH2 ARG B 66 16.243 0.053 14.087 1.00 3.79 N ATOM 0 H ARG B 66 13.446 -6.578 11.683 1.00 0.68 H new ATOM 0 HA ARG B 66 15.543 -6.366 11.046 1.00 0.81 H new ATOM 0 HB2 ARG B 66 16.019 -6.349 14.044 1.00 1.04 H new ATOM 0 HB3 ARG B 66 17.233 -5.911 12.859 1.00 1.04 H new ATOM 0 HG2 ARG B 66 15.701 -4.100 12.022 1.00 1.10 H new ATOM 0 HG3 ARG B 66 14.573 -4.505 13.300 1.00 1.10 H new ATOM 0 HD2 ARG B 66 16.288 -4.000 15.006 1.00 1.39 H new ATOM 0 HD3 ARG B 66 17.461 -3.658 13.750 1.00 1.39 H new ATOM 0 HE ARG B 66 14.963 -2.053 13.735 1.00 2.08 H new ATOM 0 HH11 ARG B 66 18.403 -2.300 14.515 1.00 2.86 H new ATOM 0 HH12 ARG B 66 18.621 -0.550 14.622 1.00 2.86 H new ATOM 0 HH21 ARG B 66 15.258 0.196 13.862 1.00 3.79 H new ATOM 0 HH22 ARG B 66 16.850 0.856 14.254 1.00 3.79 H new ATOM 3335 N ASP B 67 15.824 -8.999 10.981 1.00 0.75 N ATOM 3336 CA ASP B 67 16.480 -10.273 10.730 1.00 0.88 C ATOM 3337 C ASP B 67 16.822 -10.367 9.249 1.00 0.77 C ATOM 3338 O ASP B 67 17.238 -11.411 8.748 1.00 0.96 O ATOM 3339 CB ASP B 67 15.577 -11.439 11.157 1.00 1.00 C ATOM 3340 CG ASP B 67 16.317 -12.763 11.227 1.00 1.39 C ATOM 3341 OD1 ASP B 67 17.120 -12.950 12.166 1.00 1.95 O ATOM 3342 OD2 ASP B 67 16.096 -13.628 10.360 1.00 1.93 O ATOM 0 H ASP B 67 15.037 -8.804 10.363 1.00 0.75 H new ATOM 0 HA ASP B 67 17.396 -10.334 11.317 1.00 0.88 H new ATOM 0 HB2 ASP B 67 15.144 -11.218 12.133 1.00 1.00 H new ATOM 0 HB3 ASP B 67 14.749 -11.528 10.453 1.00 1.00 H new ATOM 3347 N ASN B 68 16.646 -9.235 8.566 1.00 0.62 N ATOM 3348 CA ASN B 68 16.920 -9.113 7.135 1.00 0.55 C ATOM 3349 C ASN B 68 15.932 -9.924 6.310 1.00 0.43 C ATOM 3350 O ASN B 68 16.316 -10.613 5.366 1.00 0.57 O ATOM 3351 CB ASN B 68 18.356 -9.532 6.789 1.00 0.77 C ATOM 3352 CG ASN B 68 19.406 -8.571 7.316 1.00 1.30 C ATOM 3353 OD1 ASN B 68 19.042 -7.306 7.471 1.00 1.41 O flip ATOM 3354 ND2 ASN B 68 20.537 -8.965 7.581 1.00 2.22 N flip ATOM 0 H ASN B 68 16.307 -8.373 8.993 1.00 0.62 H new ATOM 0 HA ASN B 68 16.803 -8.059 6.885 1.00 0.55 H new ATOM 0 HB2 ASN B 68 18.545 -10.525 7.197 1.00 0.77 H new ATOM 0 HB3 ASN B 68 18.454 -9.608 5.706 1.00 0.77 H new ATOM 0 HD21 ASN B 68 20.779 -9.947 7.448 1.00 2.22 H new ATOM 0 HD22 ASN B 68 21.235 -8.311 7.934 1.00 2.22 H new ATOM 3361 N GLU B 69 14.659 -9.822 6.661 1.00 0.42 N ATOM 3362 CA GLU B 69 13.602 -10.472 5.901 1.00 0.42 C ATOM 3363 C GLU B 69 12.269 -9.785 6.163 1.00 0.39 C ATOM 3364 O GLU B 69 11.822 -9.686 7.303 1.00 0.54 O ATOM 3365 CB GLU B 69 13.511 -11.963 6.246 1.00 0.60 C ATOM 3366 CG GLU B 69 13.422 -12.249 7.736 1.00 1.04 C ATOM 3367 CD GLU B 69 12.928 -13.648 8.031 1.00 1.44 C ATOM 3368 OE1 GLU B 69 13.704 -14.615 7.865 1.00 1.84 O ATOM 3369 OE2 GLU B 69 11.758 -13.793 8.436 1.00 2.09 O ATOM 0 H GLU B 69 14.332 -9.294 7.470 1.00 0.42 H new ATOM 0 HA GLU B 69 13.842 -10.386 4.841 1.00 0.42 H new ATOM 0 HB2 GLU B 69 12.636 -12.387 5.752 1.00 0.60 H new ATOM 0 HB3 GLU B 69 14.385 -12.473 5.840 1.00 0.60 H new ATOM 0 HG2 GLU B 69 14.404 -12.112 8.188 1.00 1.04 H new ATOM 0 HG3 GLU B 69 12.753 -11.526 8.202 1.00 1.04 H new ATOM 3376 N VAL B 70 11.640 -9.310 5.104 1.00 0.28 N ATOM 3377 CA VAL B 70 10.410 -8.548 5.223 1.00 0.25 C ATOM 3378 C VAL B 70 9.167 -9.442 5.213 1.00 0.25 C ATOM 3379 O VAL B 70 8.969 -10.263 4.313 1.00 0.33 O ATOM 3380 CB VAL B 70 10.333 -7.467 4.120 1.00 0.26 C ATOM 3381 CG1 VAL B 70 8.903 -7.122 3.757 1.00 0.29 C ATOM 3382 CG2 VAL B 70 11.061 -6.219 4.582 1.00 0.30 C ATOM 0 H VAL B 70 11.963 -9.440 4.145 1.00 0.28 H new ATOM 0 HA VAL B 70 10.427 -8.052 6.194 1.00 0.25 H new ATOM 0 HB VAL B 70 10.809 -7.871 3.226 1.00 0.26 H new ATOM 0 HG11 VAL B 70 8.899 -6.359 2.979 1.00 0.29 H new ATOM 0 HG12 VAL B 70 8.395 -8.015 3.392 1.00 0.29 H new ATOM 0 HG13 VAL B 70 8.385 -6.744 4.638 1.00 0.29 H new ATOM 0 HG21 VAL B 70 11.007 -5.457 3.804 1.00 0.30 H new ATOM 0 HG22 VAL B 70 10.595 -5.842 5.492 1.00 0.30 H new ATOM 0 HG23 VAL B 70 12.105 -6.460 4.782 1.00 0.30 H new ATOM 3392 N ASP B 71 8.364 -9.273 6.258 1.00 0.25 N ATOM 3393 CA ASP B 71 7.089 -9.973 6.430 1.00 0.29 C ATOM 3394 C ASP B 71 6.039 -9.421 5.465 1.00 0.22 C ATOM 3395 O ASP B 71 6.261 -8.398 4.837 1.00 0.21 O ATOM 3396 CB ASP B 71 6.646 -9.806 7.897 1.00 0.42 C ATOM 3397 CG ASP B 71 5.248 -10.308 8.194 1.00 1.18 C ATOM 3398 OD1 ASP B 71 5.089 -11.514 8.464 1.00 1.72 O ATOM 3399 OD2 ASP B 71 4.301 -9.491 8.170 1.00 2.06 O ATOM 0 H ASP B 71 8.581 -8.636 7.024 1.00 0.25 H new ATOM 0 HA ASP B 71 7.205 -11.033 6.203 1.00 0.29 H new ATOM 0 HB2 ASP B 71 7.352 -10.334 8.538 1.00 0.42 H new ATOM 0 HB3 ASP B 71 6.703 -8.750 8.162 1.00 0.42 H new ATOM 3404 N PHE B 72 4.900 -10.096 5.341 1.00 0.21 N ATOM 3405 CA PHE B 72 3.888 -9.693 4.374 1.00 0.19 C ATOM 3406 C PHE B 72 3.286 -8.328 4.724 1.00 0.15 C ATOM 3407 O PHE B 72 3.097 -7.491 3.839 1.00 0.14 O ATOM 3408 CB PHE B 72 2.788 -10.752 4.259 1.00 0.21 C ATOM 3409 CG PHE B 72 1.964 -10.656 2.999 1.00 0.20 C ATOM 3410 CD1 PHE B 72 2.377 -9.876 1.923 1.00 1.19 C ATOM 3411 CD2 PHE B 72 0.779 -11.362 2.884 1.00 1.18 C ATOM 3412 CE1 PHE B 72 1.624 -9.804 0.768 1.00 1.20 C ATOM 3413 CE2 PHE B 72 0.026 -11.296 1.729 1.00 1.20 C ATOM 3414 CZ PHE B 72 0.448 -10.516 0.671 1.00 0.32 C ATOM 0 H PHE B 72 4.657 -10.918 5.894 1.00 0.21 H new ATOM 0 HA PHE B 72 4.381 -9.601 3.406 1.00 0.19 H new ATOM 0 HB2 PHE B 72 3.245 -11.740 4.306 1.00 0.21 H new ATOM 0 HB3 PHE B 72 2.125 -10.666 5.120 1.00 0.21 H new ATOM 0 HD1 PHE B 72 3.300 -9.319 1.992 1.00 1.19 H new ATOM 0 HD2 PHE B 72 0.439 -11.972 3.708 1.00 1.18 H new ATOM 0 HE1 PHE B 72 1.956 -9.191 -0.057 1.00 1.20 H new ATOM 0 HE2 PHE B 72 -0.895 -11.855 1.653 1.00 1.20 H new ATOM 0 HZ PHE B 72 -0.143 -10.464 -0.232 1.00 0.32 H new ATOM 3424 N GLN B 73 2.990 -8.083 6.002 1.00 0.15 N ATOM 3425 CA GLN B 73 2.481 -6.769 6.390 1.00 0.14 C ATOM 3426 C GLN B 73 3.606 -5.759 6.272 1.00 0.12 C ATOM 3427 O GLN B 73 3.381 -4.621 5.876 1.00 0.13 O ATOM 3428 CB GLN B 73 1.905 -6.748 7.814 1.00 0.16 C ATOM 3429 CG GLN B 73 0.807 -5.711 8.001 1.00 0.26 C ATOM 3430 CD GLN B 73 0.460 -5.488 9.459 1.00 0.22 C ATOM 3431 OE1 GLN B 73 1.454 -5.590 10.324 1.00 0.68 O flip ATOM 3432 NE2 GLN B 73 -0.686 -5.201 9.803 1.00 0.60 N flip ATOM 0 H GLN B 73 3.090 -8.754 6.764 1.00 0.15 H new ATOM 0 HA GLN B 73 1.659 -6.517 5.719 1.00 0.14 H new ATOM 0 HB2 GLN B 73 1.509 -7.735 8.053 1.00 0.16 H new ATOM 0 HB3 GLN B 73 2.710 -6.548 8.522 1.00 0.16 H new ATOM 0 HG2 GLN B 73 1.124 -4.767 7.558 1.00 0.26 H new ATOM 0 HG3 GLN B 73 -0.086 -6.031 7.463 1.00 0.26 H new ATOM 0 HE21 GLN B 73 -1.426 -5.132 9.104 1.00 0.60 H new ATOM 0 HE22 GLN B 73 -0.896 -5.032 10.787 1.00 0.60 H new ATOM 3441 N GLU B 74 4.826 -6.208 6.572 1.00 0.14 N ATOM 3442 CA GLU B 74 6.016 -5.376 6.445 1.00 0.17 C ATOM 3443 C GLU B 74 6.203 -4.969 4.988 1.00 0.14 C ATOM 3444 O GLU B 74 6.595 -3.846 4.676 1.00 0.16 O ATOM 3445 CB GLU B 74 7.247 -6.153 6.911 1.00 0.27 C ATOM 3446 CG GLU B 74 8.243 -5.317 7.688 1.00 0.38 C ATOM 3447 CD GLU B 74 7.803 -5.097 9.118 1.00 0.43 C ATOM 3448 OE1 GLU B 74 6.786 -4.414 9.333 1.00 1.10 O ATOM 3449 OE2 GLU B 74 8.467 -5.617 10.039 1.00 1.21 O ATOM 0 H GLU B 74 5.013 -7.153 6.907 1.00 0.14 H new ATOM 0 HA GLU B 74 5.894 -4.486 7.063 1.00 0.17 H new ATOM 0 HB2 GLU B 74 6.924 -6.987 7.534 1.00 0.27 H new ATOM 0 HB3 GLU B 74 7.746 -6.580 6.041 1.00 0.27 H new ATOM 0 HG2 GLU B 74 9.215 -5.810 7.679 1.00 0.38 H new ATOM 0 HG3 GLU B 74 8.370 -4.353 7.195 1.00 0.38 H new ATOM 3456 N TYR B 75 5.913 -5.911 4.108 1.00 0.14 N ATOM 3457 CA TYR B 75 5.994 -5.711 2.674 1.00 0.14 C ATOM 3458 C TYR B 75 5.008 -4.640 2.234 1.00 0.11 C ATOM 3459 O TYR B 75 5.305 -3.821 1.369 1.00 0.13 O ATOM 3460 CB TYR B 75 5.694 -7.046 1.971 1.00 0.16 C ATOM 3461 CG TYR B 75 5.849 -7.027 0.470 1.00 0.17 C ATOM 3462 CD1 TYR B 75 4.971 -6.318 -0.341 1.00 1.21 C ATOM 3463 CD2 TYR B 75 6.877 -7.726 -0.132 1.00 1.19 C ATOM 3464 CE1 TYR B 75 5.119 -6.299 -1.712 1.00 1.22 C ATOM 3465 CE2 TYR B 75 7.031 -7.714 -1.510 1.00 1.20 C ATOM 3466 CZ TYR B 75 6.152 -6.997 -2.292 1.00 0.22 C ATOM 3467 OH TYR B 75 6.303 -6.985 -3.659 1.00 0.26 O ATOM 0 H TYR B 75 5.611 -6.848 4.374 1.00 0.14 H new ATOM 0 HA TYR B 75 6.995 -5.375 2.404 1.00 0.14 H new ATOM 0 HB2 TYR B 75 6.355 -7.811 2.379 1.00 0.16 H new ATOM 0 HB3 TYR B 75 4.674 -7.345 2.212 1.00 0.16 H new ATOM 0 HD1 TYR B 75 4.157 -5.771 0.111 1.00 1.21 H new ATOM 0 HD2 TYR B 75 7.569 -8.288 0.478 1.00 1.19 H new ATOM 0 HE1 TYR B 75 4.428 -5.740 -2.326 1.00 1.22 H new ATOM 0 HE2 TYR B 75 7.838 -8.265 -1.969 1.00 1.20 H new ATOM 0 HH TYR B 75 5.966 -6.138 -4.018 1.00 0.26 H new ATOM 3477 N CYS B 76 3.842 -4.641 2.842 1.00 0.11 N ATOM 3478 CA CYS B 76 2.780 -3.764 2.413 1.00 0.12 C ATOM 3479 C CYS B 76 2.813 -2.417 3.140 1.00 0.12 C ATOM 3480 O CYS B 76 2.427 -1.401 2.572 1.00 0.13 O ATOM 3481 CB CYS B 76 1.445 -4.468 2.608 1.00 0.14 C ATOM 3482 SG CYS B 76 1.372 -6.103 1.845 1.00 0.22 S ATOM 0 H CYS B 76 3.607 -5.239 3.634 1.00 0.11 H new ATOM 0 HA CYS B 76 2.920 -3.540 1.356 1.00 0.12 H new ATOM 0 HB2 CYS B 76 1.248 -4.565 3.676 1.00 0.14 H new ATOM 0 HB3 CYS B 76 0.652 -3.847 2.192 1.00 0.14 H new ATOM 0 HG CYS B 76 1.994 -6.961 2.597 1.00 0.22 H new ATOM 3488 N VAL B 77 3.259 -2.397 4.390 1.00 0.13 N ATOM 3489 CA VAL B 77 3.471 -1.128 5.082 1.00 0.14 C ATOM 3490 C VAL B 77 4.607 -0.390 4.390 1.00 0.14 C ATOM 3491 O VAL B 77 4.620 0.833 4.312 1.00 0.19 O ATOM 3492 CB VAL B 77 3.792 -1.329 6.581 1.00 0.16 C ATOM 3493 CG1 VAL B 77 4.984 -2.228 6.732 1.00 0.14 C ATOM 3494 CG2 VAL B 77 4.046 -0.012 7.298 1.00 0.20 C ATOM 0 H VAL B 77 3.478 -3.228 4.939 1.00 0.13 H new ATOM 0 HA VAL B 77 2.551 -0.545 5.035 1.00 0.14 H new ATOM 0 HB VAL B 77 2.918 -1.789 7.042 1.00 0.16 H new ATOM 0 HG11 VAL B 77 5.204 -2.365 7.791 1.00 0.14 H new ATOM 0 HG12 VAL B 77 4.770 -3.195 6.278 1.00 0.14 H new ATOM 0 HG13 VAL B 77 5.845 -1.777 6.238 1.00 0.14 H new ATOM 0 HG21 VAL B 77 4.267 -0.206 8.348 1.00 0.20 H new ATOM 0 HG22 VAL B 77 4.893 0.496 6.837 1.00 0.20 H new ATOM 0 HG23 VAL B 77 3.160 0.619 7.224 1.00 0.20 H new ATOM 3504 N PHE B 78 5.547 -1.177 3.871 1.00 0.11 N ATOM 3505 CA PHE B 78 6.556 -0.693 2.945 1.00 0.11 C ATOM 3506 C PHE B 78 5.885 0.088 1.828 1.00 0.11 C ATOM 3507 O PHE B 78 6.269 1.211 1.516 1.00 0.11 O ATOM 3508 CB PHE B 78 7.317 -1.903 2.381 1.00 0.12 C ATOM 3509 CG PHE B 78 8.057 -1.675 1.091 1.00 0.12 C ATOM 3510 CD1 PHE B 78 7.427 -1.874 -0.132 1.00 1.17 C ATOM 3511 CD2 PHE B 78 9.383 -1.290 1.101 1.00 1.18 C ATOM 3512 CE1 PHE B 78 8.110 -1.690 -1.316 1.00 1.18 C ATOM 3513 CE2 PHE B 78 10.070 -1.104 -0.080 1.00 1.18 C ATOM 3514 CZ PHE B 78 9.436 -1.304 -1.288 1.00 0.15 C ATOM 0 H PHE B 78 5.626 -2.171 4.085 1.00 0.11 H new ATOM 0 HA PHE B 78 7.257 -0.030 3.453 1.00 0.11 H new ATOM 0 HB2 PHE B 78 8.032 -2.240 3.132 1.00 0.12 H new ATOM 0 HB3 PHE B 78 6.606 -2.716 2.230 1.00 0.12 H new ATOM 0 HD1 PHE B 78 6.390 -2.176 -0.155 1.00 1.17 H new ATOM 0 HD2 PHE B 78 9.887 -1.133 2.043 1.00 1.18 H new ATOM 0 HE1 PHE B 78 7.610 -1.847 -2.261 1.00 1.18 H new ATOM 0 HE2 PHE B 78 11.106 -0.801 -0.059 1.00 1.18 H new ATOM 0 HZ PHE B 78 9.976 -1.159 -2.212 1.00 0.15 H new ATOM 3524 N LEU B 79 4.851 -0.517 1.266 1.00 0.14 N ATOM 3525 CA LEU B 79 4.129 0.061 0.151 1.00 0.16 C ATOM 3526 C LEU B 79 3.375 1.316 0.539 1.00 0.17 C ATOM 3527 O LEU B 79 3.568 2.377 -0.054 1.00 0.20 O ATOM 3528 CB LEU B 79 3.160 -0.960 -0.430 1.00 0.15 C ATOM 3529 CG LEU B 79 3.740 -1.842 -1.522 1.00 0.15 C ATOM 3530 CD1 LEU B 79 3.571 -3.303 -1.172 1.00 0.19 C ATOM 3531 CD2 LEU B 79 3.051 -1.533 -2.825 1.00 0.14 C ATOM 0 H LEU B 79 4.491 -1.421 1.572 1.00 0.14 H new ATOM 0 HA LEU B 79 4.869 0.341 -0.599 1.00 0.16 H new ATOM 0 HB2 LEU B 79 2.798 -1.597 0.377 1.00 0.15 H new ATOM 0 HB3 LEU B 79 2.295 -0.431 -0.831 1.00 0.15 H new ATOM 0 HG LEU B 79 4.807 -1.640 -1.618 1.00 0.15 H new ATOM 0 HD11 LEU B 79 3.993 -3.919 -1.967 1.00 0.19 H new ATOM 0 HD12 LEU B 79 4.087 -3.515 -0.236 1.00 0.19 H new ATOM 0 HD13 LEU B 79 2.511 -3.530 -1.061 1.00 0.19 H new ATOM 0 HD21 LEU B 79 3.463 -2.163 -3.613 1.00 0.14 H new ATOM 0 HD22 LEU B 79 1.983 -1.727 -2.727 1.00 0.14 H new ATOM 0 HD23 LEU B 79 3.207 -0.485 -3.080 1.00 0.14 H new ATOM 3543 N SER B 80 2.517 1.189 1.529 1.00 0.19 N ATOM 3544 CA SER B 80 1.717 2.305 1.990 1.00 0.21 C ATOM 3545 C SER B 80 2.597 3.445 2.450 1.00 0.20 C ATOM 3546 O SER B 80 2.229 4.614 2.340 1.00 0.24 O ATOM 3547 CB SER B 80 0.797 1.842 3.101 1.00 0.22 C ATOM 3548 OG SER B 80 1.428 0.883 3.927 1.00 0.18 O ATOM 0 H SER B 80 2.355 0.317 2.034 1.00 0.19 H new ATOM 0 HA SER B 80 1.111 2.675 1.163 1.00 0.21 H new ATOM 0 HB2 SER B 80 0.491 2.698 3.703 1.00 0.22 H new ATOM 0 HB3 SER B 80 -0.109 1.415 2.671 1.00 0.22 H new ATOM 0 HG SER B 80 0.761 0.243 4.253 1.00 0.18 H new ATOM 3554 N CYS B 81 3.766 3.097 2.958 1.00 0.17 N ATOM 3555 CA CYS B 81 4.768 4.080 3.269 1.00 0.18 C ATOM 3556 C CYS B 81 5.115 4.873 2.038 1.00 0.33 C ATOM 3557 O CYS B 81 5.015 6.081 2.045 1.00 0.72 O ATOM 3558 CB CYS B 81 6.026 3.429 3.807 1.00 0.30 C ATOM 3559 SG CYS B 81 7.545 4.263 3.298 1.00 1.83 S ATOM 0 H CYS B 81 4.038 2.135 3.162 1.00 0.17 H new ATOM 0 HA CYS B 81 4.358 4.740 4.034 1.00 0.18 H new ATOM 0 HB2 CYS B 81 5.979 3.411 4.896 1.00 0.30 H new ATOM 0 HB3 CYS B 81 6.061 2.392 3.472 1.00 0.30 H new ATOM 0 HG CYS B 81 8.082 3.618 2.305 1.00 1.83 H new ATOM 3565 N ILE B 82 5.500 4.178 0.975 1.00 0.17 N ATOM 3566 CA ILE B 82 5.960 4.837 -0.232 1.00 0.19 C ATOM 3567 C ILE B 82 4.896 5.789 -0.761 1.00 0.21 C ATOM 3568 O ILE B 82 5.201 6.890 -1.204 1.00 0.28 O ATOM 3569 CB ILE B 82 6.350 3.830 -1.328 1.00 0.19 C ATOM 3570 CG1 ILE B 82 7.261 2.752 -0.749 1.00 0.24 C ATOM 3571 CG2 ILE B 82 7.059 4.553 -2.459 1.00 0.24 C ATOM 3572 CD1 ILE B 82 8.065 2.015 -1.791 1.00 0.41 C ATOM 0 H ILE B 82 5.501 3.159 0.928 1.00 0.17 H new ATOM 0 HA ILE B 82 6.853 5.403 0.034 1.00 0.19 H new ATOM 0 HB ILE B 82 5.447 3.358 -1.714 1.00 0.19 H new ATOM 0 HG12 ILE B 82 7.943 3.211 -0.034 1.00 0.24 H new ATOM 0 HG13 ILE B 82 6.655 2.035 -0.196 1.00 0.24 H new ATOM 0 HG21 ILE B 82 7.334 3.837 -3.233 1.00 0.24 H new ATOM 0 HG22 ILE B 82 6.395 5.307 -2.882 1.00 0.24 H new ATOM 0 HG23 ILE B 82 7.958 5.035 -2.075 1.00 0.24 H new ATOM 0 HD11 ILE B 82 8.689 1.265 -1.306 1.00 0.41 H new ATOM 0 HD12 ILE B 82 7.390 1.526 -2.493 1.00 0.41 H new ATOM 0 HD13 ILE B 82 8.698 2.721 -2.328 1.00 0.41 H new ATOM 3584 N ALA B 83 3.647 5.374 -0.678 1.00 0.26 N ATOM 3585 CA ALA B 83 2.538 6.213 -1.096 1.00 0.32 C ATOM 3586 C ALA B 83 2.398 7.436 -0.191 1.00 0.32 C ATOM 3587 O ALA B 83 2.390 8.572 -0.655 1.00 0.35 O ATOM 3588 CB ALA B 83 1.259 5.405 -1.088 1.00 0.42 C ATOM 0 H ALA B 83 3.373 4.458 -0.324 1.00 0.26 H new ATOM 0 HA ALA B 83 2.736 6.569 -2.107 1.00 0.32 H new ATOM 0 HB1 ALA B 83 0.428 6.036 -1.402 1.00 0.42 H new ATOM 0 HB2 ALA B 83 1.356 4.564 -1.775 1.00 0.42 H new ATOM 0 HB3 ALA B 83 1.071 5.032 -0.081 1.00 0.42 H new ATOM 3594 N MET B 84 2.301 7.187 1.107 1.00 0.33 N ATOM 3595 CA MET B 84 2.142 8.244 2.111 1.00 0.36 C ATOM 3596 C MET B 84 3.391 9.107 2.215 1.00 0.36 C ATOM 3597 O MET B 84 3.343 10.257 2.649 1.00 0.48 O ATOM 3598 CB MET B 84 1.831 7.588 3.441 1.00 0.38 C ATOM 3599 CG MET B 84 1.826 8.510 4.641 1.00 0.44 C ATOM 3600 SD MET B 84 1.612 7.560 6.150 1.00 0.38 S ATOM 3601 CE MET B 84 2.448 6.063 5.632 1.00 0.22 C ATOM 0 H MET B 84 2.330 6.246 1.500 1.00 0.33 H new ATOM 0 HA MET B 84 1.327 8.905 1.817 1.00 0.36 H new ATOM 0 HB2 MET B 84 0.855 7.109 3.370 1.00 0.38 H new ATOM 0 HB3 MET B 84 2.562 6.798 3.616 1.00 0.38 H new ATOM 0 HG2 MET B 84 2.761 9.069 4.684 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.022 9.240 4.545 1.00 0.44 H new ATOM 0 HE1 MET B 84 2.849 5.549 6.506 1.00 0.22 H new ATOM 0 HE2 MET B 84 1.741 5.410 5.120 1.00 0.22 H new ATOM 0 HE3 MET B 84 3.264 6.317 4.955 1.00 0.22 H new ATOM 3611 N MET B 85 4.506 8.540 1.822 1.00 0.28 N ATOM 3612 CA MET B 85 5.750 9.261 1.762 1.00 0.29 C ATOM 3613 C MET B 85 5.768 10.127 0.505 1.00 0.34 C ATOM 3614 O MET B 85 6.378 11.193 0.468 1.00 0.48 O ATOM 3615 CB MET B 85 6.903 8.278 1.763 1.00 0.28 C ATOM 3616 CG MET B 85 8.200 8.905 2.207 1.00 0.32 C ATOM 3617 SD MET B 85 9.584 8.426 1.155 1.00 0.29 S ATOM 3618 CE MET B 85 9.450 6.659 1.358 1.00 0.25 C ATOM 0 H MET B 85 4.574 7.564 1.535 1.00 0.28 H new ATOM 0 HA MET B 85 5.852 9.910 2.632 1.00 0.29 H new ATOM 0 HB2 MET B 85 6.663 7.443 2.422 1.00 0.28 H new ATOM 0 HB3 MET B 85 7.027 7.868 0.761 1.00 0.28 H new ATOM 0 HG2 MET B 85 8.098 9.990 2.199 1.00 0.32 H new ATOM 0 HG3 MET B 85 8.410 8.612 3.236 1.00 0.32 H new ATOM 0 HE1 MET B 85 10.391 6.188 1.075 1.00 0.25 H new ATOM 0 HE2 MET B 85 9.227 6.428 2.400 1.00 0.25 H new ATOM 0 HE3 MET B 85 8.649 6.280 0.723 1.00 0.25 H new ATOM 3628 N CYS B 86 5.057 9.651 -0.514 1.00 0.31 N ATOM 3629 CA CYS B 86 4.896 10.365 -1.776 1.00 0.34 C ATOM 3630 C CYS B 86 3.890 11.499 -1.625 1.00 0.39 C ATOM 3631 O CYS B 86 3.876 12.443 -2.417 1.00 0.46 O ATOM 3632 CB CYS B 86 4.415 9.394 -2.856 1.00 0.39 C ATOM 3633 SG CYS B 86 4.092 10.162 -4.454 1.00 0.94 S ATOM 0 H CYS B 86 4.574 8.753 -0.486 1.00 0.31 H new ATOM 0 HA CYS B 86 5.859 10.788 -2.064 1.00 0.34 H new ATOM 0 HB2 CYS B 86 5.165 8.613 -2.986 1.00 0.39 H new ATOM 0 HB3 CYS B 86 3.504 8.906 -2.510 1.00 0.39 H new ATOM 0 HG CYS B 86 4.996 9.783 -5.308 1.00 0.94 H new ATOM 3639 N ASN B 87 3.056 11.378 -0.598 1.00 0.45 N ATOM 3640 CA ASN B 87 2.025 12.365 -0.266 1.00 0.58 C ATOM 3641 C ASN B 87 2.556 13.791 -0.416 1.00 0.68 C ATOM 3642 O ASN B 87 1.988 14.617 -1.135 1.00 0.89 O ATOM 3643 CB ASN B 87 1.585 12.124 1.184 1.00 0.72 C ATOM 3644 CG ASN B 87 0.393 12.948 1.625 1.00 1.10 C ATOM 3645 OD1 ASN B 87 0.126 14.022 1.102 1.00 1.72 O ATOM 3646 ND2 ASN B 87 -0.320 12.446 2.622 1.00 1.77 N ATOM 0 H ASN B 87 3.074 10.581 0.039 1.00 0.45 H new ATOM 0 HA ASN B 87 1.183 12.253 -0.949 1.00 0.58 H new ATOM 0 HB2 ASN B 87 1.346 11.068 1.307 1.00 0.72 H new ATOM 0 HB3 ASN B 87 2.424 12.340 1.845 1.00 0.72 H new ATOM 0 HD21 ASN B 87 -1.125 12.958 2.982 1.00 1.77 H new ATOM 0 HD22 ASN B 87 -0.064 11.547 3.030 1.00 1.77 H new ATOM 3653 N GLU B 88 3.680 14.046 0.240 1.00 0.70 N ATOM 3654 CA GLU B 88 4.272 15.373 0.288 1.00 0.89 C ATOM 3655 C GLU B 88 4.808 15.804 -1.077 1.00 0.86 C ATOM 3656 O GLU B 88 4.769 16.982 -1.425 1.00 1.06 O ATOM 3657 CB GLU B 88 5.398 15.377 1.325 1.00 1.03 C ATOM 3658 CG GLU B 88 4.935 14.946 2.708 1.00 1.51 C ATOM 3659 CD GLU B 88 6.048 14.918 3.732 1.00 1.72 C ATOM 3660 OE1 GLU B 88 6.569 15.998 4.090 1.00 1.98 O ATOM 3661 OE2 GLU B 88 6.389 13.815 4.204 1.00 2.33 O ATOM 0 H GLU B 88 4.206 13.338 0.753 1.00 0.70 H new ATOM 0 HA GLU B 88 3.499 16.088 0.571 1.00 0.89 H new ATOM 0 HB2 GLU B 88 6.194 14.712 0.991 1.00 1.03 H new ATOM 0 HB3 GLU B 88 5.824 16.378 1.386 1.00 1.03 H new ATOM 0 HG2 GLU B 88 4.154 15.625 3.050 1.00 1.51 H new ATOM 0 HG3 GLU B 88 4.488 13.954 2.641 1.00 1.51 H new ATOM 3668 N PHE B 89 5.284 14.839 -1.852 1.00 0.69 N ATOM 3669 CA PHE B 89 5.973 15.124 -3.106 1.00 0.71 C ATOM 3670 C PHE B 89 5.013 15.251 -4.289 1.00 0.73 C ATOM 3671 O PHE B 89 5.034 16.253 -5.003 1.00 0.88 O ATOM 3672 CB PHE B 89 6.999 14.029 -3.395 1.00 0.69 C ATOM 3673 CG PHE B 89 8.128 13.991 -2.403 1.00 0.91 C ATOM 3674 CD1 PHE B 89 9.268 14.751 -2.604 1.00 1.53 C ATOM 3675 CD2 PHE B 89 8.045 13.198 -1.272 1.00 1.65 C ATOM 3676 CE1 PHE B 89 10.305 14.722 -1.694 1.00 1.89 C ATOM 3677 CE2 PHE B 89 9.081 13.164 -0.357 1.00 1.99 C ATOM 3678 CZ PHE B 89 10.212 13.928 -0.568 1.00 1.81 C ATOM 0 H PHE B 89 5.205 13.846 -1.634 1.00 0.69 H new ATOM 0 HA PHE B 89 6.471 16.086 -2.986 1.00 0.71 H new ATOM 0 HB2 PHE B 89 6.496 13.062 -3.399 1.00 0.69 H new ATOM 0 HB3 PHE B 89 7.408 14.179 -4.394 1.00 0.69 H new ATOM 0 HD1 PHE B 89 9.346 15.374 -3.483 1.00 1.53 H new ATOM 0 HD2 PHE B 89 7.162 12.600 -1.102 1.00 1.65 H new ATOM 0 HE1 PHE B 89 11.189 15.320 -1.862 1.00 1.89 H new ATOM 0 HE2 PHE B 89 9.006 12.541 0.522 1.00 1.99 H new ATOM 0 HZ PHE B 89 11.022 13.905 0.146 1.00 1.81 H new ATOM 3688 N PHE B 90 4.187 14.234 -4.500 1.00 0.63 N ATOM 3689 CA PHE B 90 3.318 14.182 -5.673 1.00 0.66 C ATOM 3690 C PHE B 90 2.152 15.152 -5.549 1.00 0.69 C ATOM 3691 O PHE B 90 1.997 16.052 -6.372 1.00 0.83 O ATOM 3692 CB PHE B 90 2.798 12.758 -5.889 1.00 0.69 C ATOM 3693 CG PHE B 90 1.730 12.645 -6.948 1.00 0.95 C ATOM 3694 CD1 PHE B 90 2.070 12.509 -8.282 1.00 1.79 C ATOM 3695 CD2 PHE B 90 0.387 12.663 -6.605 1.00 1.44 C ATOM 3696 CE1 PHE B 90 1.095 12.395 -9.253 1.00 2.09 C ATOM 3697 CE2 PHE B 90 -0.592 12.550 -7.572 1.00 1.68 C ATOM 3698 CZ PHE B 90 -0.237 12.416 -8.897 1.00 1.67 C ATOM 0 H PHE B 90 4.099 13.433 -3.875 1.00 0.63 H new ATOM 0 HA PHE B 90 3.912 14.481 -6.537 1.00 0.66 H new ATOM 0 HB2 PHE B 90 3.635 12.115 -6.162 1.00 0.69 H new ATOM 0 HB3 PHE B 90 2.401 12.381 -4.946 1.00 0.69 H new ATOM 0 HD1 PHE B 90 3.111 12.492 -8.568 1.00 1.79 H new ATOM 0 HD2 PHE B 90 0.103 12.767 -5.568 1.00 1.44 H new ATOM 0 HE1 PHE B 90 1.375 12.289 -10.291 1.00 2.09 H new ATOM 0 HE2 PHE B 90 -1.635 12.567 -7.291 1.00 1.68 H new ATOM 0 HZ PHE B 90 -1.001 12.328 -9.655 1.00 1.67 H new