USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 823 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 22 TYR OH : rot 114:sc= 1.07 USER MOD Set 1.2: B 52 GLN : amide:sc= -2.36! X(o=-1.3!,f=-1.2) USER MOD Set 2.1: A 22 TYR OH : rot 146:sc= -0.0921 USER MOD Set 2.2: A 52 GLN :FLIP amide:sc= -5.09! C(o=-6.1!,f=-5.2!) USER MOD Set 3.1: A 19 LYS NZ :NH3+ -122:sc= -0.61 (180deg=-2.02!) USER MOD Set 3.2: A 45 SER OG : rot -168:sc= -0.679! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 82:sc= -0.63 USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 160:sc=-0.00784 (180deg=-0.545) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -154:sc= -0.0959 (180deg=-2.24) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.0305 USER MOD Single : A 35 LYS NZ :NH3+ 139:sc= 0.159 (180deg=0) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.245 F(o=-3.5!,f=-0.24) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.195 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.111 F(o=-1.8!,f=-0.11) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot -45:sc= -6.99! USER MOD Single : B 14 GLN : amide:sc= -0.0557 K(o=-0.056,f=-2.2!) USER MOD Single : B 15 LYS NZ :NH3+ -172:sc= -0.257 (180deg=-0.353) USER MOD Single : B 19 LYS NZ :NH3+ -155:sc= -0.0898 (180deg=-0.626) USER MOD Single : B 27 MET CE :methyl 149:sc= 0 (180deg=-0.732) USER MOD Single : B 30 MET CE :methyl -166:sc= -0.336 (180deg=-1.06) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -163:sc= -0.0466 (180deg=-0.584) USER MOD Single : B 40 ASN :FLIP amide:sc= -0.24 F(o=-1.1,f=-0.24) USER MOD Single : B 45 SER OG : rot 180:sc= 0 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN :FLIP amide:sc= -0.539 F(o=-2.2!,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 45.322 23.272 20.768 1.00 0.27 N ATOM 107 CA PHE A 9 43.871 23.239 20.434 1.00 0.25 C ATOM 108 C PHE A 9 43.462 24.603 19.875 1.00 0.25 C ATOM 109 O PHE A 9 42.788 24.696 18.868 1.00 0.36 O ATOM 110 CB PHE A 9 43.070 22.929 21.708 1.00 0.23 C ATOM 111 CG PHE A 9 41.711 22.385 21.339 1.00 0.19 C ATOM 112 CD1 PHE A 9 40.635 23.259 21.152 1.00 0.20 C ATOM 113 CD2 PHE A 9 41.529 21.006 21.183 1.00 0.19 C ATOM 114 CE1 PHE A 9 39.377 22.753 20.809 1.00 0.21 C ATOM 115 CE2 PHE A 9 40.271 20.502 20.838 1.00 0.19 C ATOM 116 CZ PHE A 9 39.195 21.377 20.651 1.00 0.20 C ATOM 0 HA PHE A 9 43.670 22.469 19.690 1.00 0.25 H new ATOM 0 HB2 PHE A 9 43.608 22.204 22.319 1.00 0.23 H new ATOM 0 HB3 PHE A 9 42.959 23.832 22.308 1.00 0.23 H new ATOM 0 HD1 PHE A 9 40.775 24.323 21.272 1.00 0.20 H new ATOM 0 HD2 PHE A 9 42.360 20.331 21.329 1.00 0.19 H new ATOM 0 HE1 PHE A 9 38.545 23.427 20.666 1.00 0.21 H new ATOM 0 HE2 PHE A 9 40.130 19.438 20.716 1.00 0.19 H new ATOM 0 HZ PHE A 9 38.223 20.988 20.384 1.00 0.20 H new ATOM 126 N LEU A 10 43.877 25.663 20.513 1.00 0.21 N ATOM 127 CA LEU A 10 43.524 27.019 20.009 1.00 0.21 C ATOM 128 C LEU A 10 44.170 27.220 18.637 1.00 0.22 C ATOM 129 O LEU A 10 43.659 27.930 17.795 1.00 0.27 O ATOM 130 CB LEU A 10 44.047 28.081 20.977 1.00 0.24 C ATOM 131 CG LEU A 10 43.571 27.772 22.401 1.00 0.27 C ATOM 132 CD1 LEU A 10 44.244 28.739 23.371 1.00 0.31 C ATOM 133 CD2 LEU A 10 42.047 27.938 22.495 1.00 0.28 C ATOM 0 H LEU A 10 44.445 25.648 21.360 1.00 0.21 H new ATOM 0 HA LEU A 10 42.441 27.111 19.928 1.00 0.21 H new ATOM 0 HB2 LEU A 10 45.136 28.108 20.947 1.00 0.24 H new ATOM 0 HB3 LEU A 10 43.695 29.067 20.673 1.00 0.24 H new ATOM 0 HG LEU A 10 43.833 26.745 22.654 1.00 0.27 H new ATOM 0 HD11 LEU A 10 43.911 28.526 24.387 1.00 0.31 H new ATOM 0 HD12 LEU A 10 45.326 28.620 23.311 1.00 0.31 H new ATOM 0 HD13 LEU A 10 43.977 29.763 23.108 1.00 0.31 H new ATOM 0 HD21 LEU A 10 41.719 27.716 23.510 1.00 0.28 H new ATOM 0 HD22 LEU A 10 41.776 28.963 22.242 1.00 0.28 H new ATOM 0 HD23 LEU A 10 41.563 27.253 21.799 1.00 0.28 H new ATOM 145 N ASP A 11 45.293 26.594 18.408 1.00 0.21 N ATOM 146 CA ASP A 11 45.976 26.742 17.093 1.00 0.23 C ATOM 147 C ASP A 11 45.068 26.202 15.986 1.00 0.20 C ATOM 148 O ASP A 11 44.763 26.890 15.031 1.00 0.29 O ATOM 149 CB ASP A 11 47.292 25.955 17.107 1.00 0.27 C ATOM 150 CG ASP A 11 48.181 26.420 15.951 1.00 1.08 C ATOM 151 OD1 ASP A 11 47.809 26.187 14.813 1.00 1.92 O ATOM 152 OD2 ASP A 11 49.219 27.000 16.224 1.00 1.64 O ATOM 0 H ASP A 11 45.766 25.986 19.076 1.00 0.21 H new ATOM 0 HA ASP A 11 46.187 27.795 16.909 1.00 0.23 H new ATOM 0 HB2 ASP A 11 47.806 26.103 18.057 1.00 0.27 H new ATOM 0 HB3 ASP A 11 47.090 24.888 17.017 1.00 0.27 H new ATOM 157 N TYR A 12 44.632 24.977 16.103 1.00 0.14 N ATOM 158 CA TYR A 12 43.745 24.404 15.053 1.00 0.12 C ATOM 159 C TYR A 12 42.528 25.311 14.873 1.00 0.11 C ATOM 160 O TYR A 12 42.197 25.718 13.777 1.00 0.15 O ATOM 161 CB TYR A 12 43.274 23.003 15.474 1.00 0.12 C ATOM 162 CG TYR A 12 44.455 22.047 15.543 1.00 0.16 C ATOM 163 CD1 TYR A 12 45.244 21.803 14.407 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.760 21.399 16.748 1.00 0.20 C ATOM 165 CE1 TYR A 12 46.328 20.919 14.481 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.843 20.516 16.819 1.00 0.27 C ATOM 167 CZ TYR A 12 46.627 20.277 15.687 1.00 0.30 C ATOM 168 OH TYR A 12 47.695 19.406 15.759 1.00 0.37 O ATOM 0 H TYR A 12 44.851 24.351 16.878 1.00 0.14 H new ATOM 0 HA TYR A 12 44.297 24.332 14.116 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.782 23.054 16.445 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.537 22.631 14.762 1.00 0.12 H new ATOM 0 HD1 TYR A 12 45.015 22.298 13.475 1.00 0.22 H new ATOM 0 HD2 TYR A 12 44.157 21.582 17.625 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.933 20.733 13.606 1.00 0.28 H new ATOM 0 HE2 TYR A 12 46.073 20.019 17.750 1.00 0.27 H new ATOM 0 HH TYR A 12 47.764 19.047 16.668 1.00 0.37 H new ATOM 178 N CYS A 13 41.863 25.625 15.947 1.00 0.12 N ATOM 179 CA CYS A 13 40.661 26.503 15.872 1.00 0.15 C ATOM 180 C CYS A 13 40.936 27.688 14.945 1.00 0.16 C ATOM 181 O CYS A 13 40.135 28.018 14.093 1.00 0.19 O ATOM 182 CB CYS A 13 40.329 27.014 17.273 1.00 0.19 C ATOM 183 SG CYS A 13 39.727 25.642 18.289 1.00 1.38 S ATOM 0 H CYS A 13 42.103 25.307 16.886 1.00 0.12 H new ATOM 0 HA CYS A 13 39.820 25.934 15.477 1.00 0.15 H new ATOM 0 HB2 CYS A 13 41.214 27.457 17.729 1.00 0.19 H new ATOM 0 HB3 CYS A 13 39.573 27.797 17.216 1.00 0.19 H new ATOM 0 HG CYS A 13 40.738 24.975 18.761 1.00 1.38 H new ATOM 189 N GLN A 14 42.062 28.327 15.099 1.00 0.17 N ATOM 190 CA GLN A 14 42.388 29.487 14.222 1.00 0.21 C ATOM 191 C GLN A 14 42.103 29.117 12.762 1.00 0.21 C ATOM 192 O GLN A 14 41.387 29.809 12.067 1.00 0.28 O ATOM 193 CB GLN A 14 43.866 29.848 14.382 1.00 0.25 C ATOM 194 CG GLN A 14 44.182 31.084 13.539 1.00 0.64 C ATOM 195 CD GLN A 14 45.627 31.522 13.786 1.00 0.78 C ATOM 196 OE1 GLN A 14 46.175 31.298 14.948 1.00 1.68 O flip ATOM 197 NE2 GLN A 14 46.264 32.075 12.911 1.00 1.31 N flip ATOM 0 H GLN A 14 42.771 28.096 15.795 1.00 0.17 H new ATOM 0 HA GLN A 14 41.775 30.343 14.505 1.00 0.21 H new ATOM 0 HB2 GLN A 14 44.093 30.042 15.430 1.00 0.25 H new ATOM 0 HB3 GLN A 14 44.492 29.012 14.070 1.00 0.25 H new ATOM 0 HG2 GLN A 14 44.035 30.862 12.482 1.00 0.64 H new ATOM 0 HG3 GLN A 14 43.498 31.894 13.793 1.00 0.64 H new ATOM 0 HE21 GLN A 14 45.836 32.250 12.002 1.00 1.31 H new ATOM 0 HE22 GLN A 14 47.227 32.364 13.086 1.00 1.31 H new ATOM 206 N LYS A 15 42.646 28.025 12.297 1.00 0.20 N ATOM 207 CA LYS A 15 42.392 27.612 10.887 1.00 0.22 C ATOM 208 C LYS A 15 40.884 27.576 10.640 1.00 0.19 C ATOM 209 O LYS A 15 40.363 28.262 9.783 1.00 0.22 O ATOM 210 CB LYS A 15 42.952 26.209 10.664 1.00 0.25 C ATOM 211 CG LYS A 15 44.480 26.241 10.644 1.00 0.57 C ATOM 212 CD LYS A 15 45.005 24.804 10.618 1.00 1.16 C ATOM 213 CE LYS A 15 46.493 24.803 10.277 1.00 1.52 C ATOM 214 NZ LYS A 15 47.198 25.811 11.118 1.00 2.24 N ATOM 0 H LYS A 15 43.253 27.402 12.830 1.00 0.20 H new ATOM 0 HA LYS A 15 42.870 28.319 10.209 1.00 0.22 H new ATOM 0 HB2 LYS A 15 42.606 25.543 11.455 1.00 0.25 H new ATOM 0 HB3 LYS A 15 42.578 25.807 9.722 1.00 0.25 H new ATOM 0 HG2 LYS A 15 44.834 26.788 9.770 1.00 0.57 H new ATOM 0 HG3 LYS A 15 44.858 26.765 11.522 1.00 0.57 H new ATOM 0 HD2 LYS A 15 44.844 24.331 11.587 1.00 1.16 H new ATOM 0 HD3 LYS A 15 44.454 24.219 9.882 1.00 1.16 H new ATOM 0 HE2 LYS A 15 46.915 23.813 10.448 1.00 1.52 H new ATOM 0 HE3 LYS A 15 46.635 25.032 9.221 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 48.214 25.591 11.146 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 47.060 26.759 10.713 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 46.812 25.788 12.084 1.00 2.24 H new ATOM 228 N LEU A 16 40.181 26.775 11.395 1.00 0.15 N ATOM 229 CA LEU A 16 38.704 26.675 11.227 1.00 0.13 C ATOM 230 C LEU A 16 38.112 28.089 11.188 1.00 0.13 C ATOM 231 O LEU A 16 37.077 28.328 10.600 1.00 0.17 O ATOM 232 CB LEU A 16 38.130 25.878 12.424 1.00 0.11 C ATOM 233 CG LEU A 16 37.091 24.840 11.959 1.00 0.14 C ATOM 234 CD1 LEU A 16 37.782 23.666 11.242 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.335 24.318 13.186 1.00 0.17 C ATOM 0 H LEU A 16 40.571 26.181 12.127 1.00 0.15 H new ATOM 0 HA LEU A 16 38.451 26.163 10.299 1.00 0.13 H new ATOM 0 HB2 LEU A 16 38.941 25.374 12.950 1.00 0.11 H new ATOM 0 HB3 LEU A 16 37.668 26.565 13.133 1.00 0.11 H new ATOM 0 HG LEU A 16 36.400 25.311 11.260 1.00 0.14 H new ATOM 0 HD11 LEU A 16 37.032 22.943 10.921 1.00 0.26 H new ATOM 0 HD12 LEU A 16 38.323 24.039 10.372 1.00 0.26 H new ATOM 0 HD13 LEU A 16 38.482 23.184 11.925 1.00 0.26 H new ATOM 0 HD21 LEU A 16 35.595 23.582 12.872 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.039 23.853 13.877 1.00 0.17 H new ATOM 0 HD23 LEU A 16 35.832 25.147 13.684 1.00 0.17 H new ATOM 247 N LEU A 17 38.764 29.021 11.822 1.00 0.12 N ATOM 248 CA LEU A 17 38.253 30.418 11.840 1.00 0.13 C ATOM 249 C LEU A 17 38.693 31.148 10.565 1.00 0.15 C ATOM 250 O LEU A 17 37.889 31.709 9.847 1.00 0.22 O ATOM 251 CB LEU A 17 38.824 31.132 13.074 1.00 0.12 C ATOM 252 CG LEU A 17 37.933 32.332 13.458 1.00 0.12 C ATOM 253 CD1 LEU A 17 36.773 31.864 14.347 1.00 0.12 C ATOM 254 CD2 LEU A 17 38.754 33.369 14.231 1.00 0.13 C ATOM 0 H LEU A 17 39.635 28.874 12.332 1.00 0.12 H new ATOM 0 HA LEU A 17 37.164 30.416 11.883 1.00 0.13 H new ATOM 0 HB2 LEU A 17 38.887 30.435 13.909 1.00 0.12 H new ATOM 0 HB3 LEU A 17 39.838 31.474 12.868 1.00 0.12 H new ATOM 0 HG LEU A 17 37.541 32.777 12.543 1.00 0.12 H new ATOM 0 HD11 LEU A 17 36.150 32.718 14.612 1.00 0.12 H new ATOM 0 HD12 LEU A 17 36.173 31.132 13.807 1.00 0.12 H new ATOM 0 HD13 LEU A 17 37.171 31.409 15.254 1.00 0.12 H new ATOM 0 HD21 LEU A 17 38.117 34.212 14.498 1.00 0.13 H new ATOM 0 HD22 LEU A 17 39.153 32.915 15.138 1.00 0.13 H new ATOM 0 HD23 LEU A 17 39.577 33.719 13.608 1.00 0.13 H new ATOM 266 N GLU A 18 39.967 31.150 10.292 1.00 0.20 N ATOM 267 CA GLU A 18 40.480 31.847 9.077 1.00 0.25 C ATOM 268 C GLU A 18 39.840 31.253 7.826 1.00 0.21 C ATOM 269 O GLU A 18 39.250 31.949 7.024 1.00 0.25 O ATOM 270 CB GLU A 18 41.996 31.660 8.983 1.00 0.32 C ATOM 271 CG GLU A 18 42.670 32.146 10.270 1.00 1.41 C ATOM 272 CD GLU A 18 42.792 33.672 10.249 1.00 2.13 C ATOM 273 OE1 GLU A 18 42.184 34.283 9.386 1.00 2.62 O ATOM 274 OE2 GLU A 18 43.492 34.202 11.095 1.00 2.77 O ATOM 0 H GLU A 18 40.681 30.696 10.861 1.00 0.20 H new ATOM 0 HA GLU A 18 40.234 32.906 9.149 1.00 0.25 H new ATOM 0 HB2 GLU A 18 42.230 30.609 8.816 1.00 0.32 H new ATOM 0 HB3 GLU A 18 42.386 32.213 8.129 1.00 0.32 H new ATOM 0 HG2 GLU A 18 42.089 31.831 11.137 1.00 1.41 H new ATOM 0 HG3 GLU A 18 43.657 31.695 10.367 1.00 1.41 H new ATOM 281 N LYS A 19 39.967 29.968 7.646 1.00 0.20 N ATOM 282 CA LYS A 19 39.388 29.318 6.444 1.00 0.20 C ATOM 283 C LYS A 19 37.951 29.805 6.231 1.00 0.18 C ATOM 284 O LYS A 19 37.596 30.268 5.165 1.00 0.24 O ATOM 285 CB LYS A 19 39.412 27.800 6.664 1.00 0.22 C ATOM 286 CG LYS A 19 40.762 27.225 6.206 1.00 0.30 C ATOM 287 CD LYS A 19 41.009 25.877 6.882 1.00 0.37 C ATOM 288 CE LYS A 19 39.883 24.906 6.523 1.00 0.92 C ATOM 289 NZ LYS A 19 40.246 23.536 6.982 1.00 1.77 N ATOM 0 H LYS A 19 40.451 29.338 8.286 1.00 0.20 H new ATOM 0 HA LYS A 19 39.968 29.573 5.557 1.00 0.20 H new ATOM 0 HB2 LYS A 19 39.250 27.574 7.718 1.00 0.22 H new ATOM 0 HB3 LYS A 19 38.600 27.331 6.109 1.00 0.22 H new ATOM 0 HG2 LYS A 19 40.767 27.105 5.123 1.00 0.30 H new ATOM 0 HG3 LYS A 19 41.566 27.919 6.454 1.00 0.30 H new ATOM 0 HD2 LYS A 19 41.969 25.470 6.563 1.00 0.37 H new ATOM 0 HD3 LYS A 19 41.060 26.006 7.963 1.00 0.37 H new ATOM 0 HE2 LYS A 19 38.951 25.223 6.991 1.00 0.92 H new ATOM 0 HE3 LYS A 19 39.716 24.908 5.446 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 40.243 22.886 6.170 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 41.194 23.553 7.409 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 39.554 23.212 7.688 1.00 1.77 H new ATOM 303 N PHE A 20 37.128 29.721 7.236 1.00 0.16 N ATOM 304 CA PHE A 20 35.731 30.194 7.090 1.00 0.16 C ATOM 305 C PHE A 20 35.711 31.705 7.317 1.00 0.19 C ATOM 306 O PHE A 20 34.673 32.334 7.356 1.00 0.30 O ATOM 307 CB PHE A 20 34.867 29.492 8.128 1.00 0.14 C ATOM 308 CG PHE A 20 34.755 28.028 7.771 1.00 0.13 C ATOM 309 CD1 PHE A 20 35.848 27.180 7.987 1.00 0.13 C ATOM 310 CD2 PHE A 20 33.567 27.516 7.229 1.00 0.13 C ATOM 311 CE1 PHE A 20 35.758 25.823 7.662 1.00 0.12 C ATOM 312 CE2 PHE A 20 33.479 26.156 6.905 1.00 0.13 C ATOM 313 CZ PHE A 20 34.574 25.311 7.123 1.00 0.12 C ATOM 0 H PHE A 20 37.366 29.344 8.153 1.00 0.16 H new ATOM 0 HA PHE A 20 35.344 29.971 6.096 1.00 0.16 H new ATOM 0 HB2 PHE A 20 35.305 29.605 9.120 1.00 0.14 H new ATOM 0 HB3 PHE A 20 33.877 29.947 8.163 1.00 0.14 H new ATOM 0 HD1 PHE A 20 36.762 27.575 8.405 1.00 0.13 H new ATOM 0 HD2 PHE A 20 32.723 28.168 7.062 1.00 0.13 H new ATOM 0 HE1 PHE A 20 36.603 25.171 7.827 1.00 0.12 H new ATOM 0 HE2 PHE A 20 32.566 25.759 6.487 1.00 0.13 H new ATOM 0 HZ PHE A 20 34.504 24.262 6.874 1.00 0.12 H new ATOM 323 N ARG A 21 36.873 32.285 7.453 1.00 0.18 N ATOM 324 CA ARG A 21 36.973 33.759 7.662 1.00 0.21 C ATOM 325 C ARG A 21 35.959 34.241 8.708 1.00 0.18 C ATOM 326 O ARG A 21 35.344 35.276 8.545 1.00 0.19 O ATOM 327 CB ARG A 21 36.707 34.471 6.335 1.00 0.29 C ATOM 328 CG ARG A 21 37.852 34.178 5.362 1.00 0.65 C ATOM 329 CD ARG A 21 37.472 34.665 3.962 1.00 1.12 C ATOM 330 NE ARG A 21 36.313 33.877 3.456 1.00 1.93 N ATOM 331 CZ ARG A 21 35.631 34.306 2.430 1.00 2.67 C ATOM 332 NH1 ARG A 21 35.963 35.428 1.851 1.00 2.95 N ATOM 333 NH2 ARG A 21 34.618 33.616 1.984 1.00 3.64 N ATOM 0 H ARG A 21 37.767 31.795 7.428 1.00 0.18 H new ATOM 0 HA ARG A 21 37.975 33.990 8.024 1.00 0.21 H new ATOM 0 HB2 ARG A 21 35.761 34.134 5.912 1.00 0.29 H new ATOM 0 HB3 ARG A 21 36.619 35.545 6.497 1.00 0.29 H new ATOM 0 HG2 ARG A 21 38.763 34.675 5.696 1.00 0.65 H new ATOM 0 HG3 ARG A 21 38.061 33.108 5.342 1.00 0.65 H new ATOM 0 HD2 ARG A 21 37.219 35.725 3.991 1.00 1.12 H new ATOM 0 HD3 ARG A 21 38.320 34.558 3.286 1.00 1.12 H new ATOM 0 HE ARG A 21 36.053 33.002 3.912 1.00 1.93 H new ATOM 0 HH11 ARG A 21 36.755 35.968 2.201 1.00 2.95 H new ATOM 0 HH12 ARG A 21 35.431 35.765 1.049 1.00 2.95 H new ATOM 0 HH21 ARG A 21 34.358 32.740 2.438 1.00 3.64 H new ATOM 0 HH22 ARG A 21 34.085 33.952 1.182 1.00 3.64 H new ATOM 347 N TYR A 22 35.782 33.522 9.789 1.00 0.15 N ATOM 348 CA TYR A 22 34.812 33.982 10.831 1.00 0.13 C ATOM 349 C TYR A 22 35.518 35.022 11.739 1.00 0.14 C ATOM 350 O TYR A 22 36.724 34.971 11.877 1.00 0.15 O ATOM 351 CB TYR A 22 34.374 32.781 11.691 1.00 0.11 C ATOM 352 CG TYR A 22 33.217 32.024 11.043 1.00 0.11 C ATOM 353 CD1 TYR A 22 32.017 32.682 10.699 1.00 0.12 C ATOM 354 CD2 TYR A 22 33.345 30.650 10.792 1.00 0.11 C ATOM 355 CE1 TYR A 22 30.969 31.964 10.110 1.00 0.13 C ATOM 356 CE2 TYR A 22 32.293 29.939 10.204 1.00 0.12 C ATOM 357 CZ TYR A 22 31.107 30.596 9.863 1.00 0.13 C ATOM 358 OH TYR A 22 30.071 29.895 9.284 1.00 0.15 O ATOM 0 H TYR A 22 36.262 32.645 9.994 1.00 0.15 H new ATOM 0 HA TYR A 22 33.938 34.426 10.354 1.00 0.13 H new ATOM 0 HB2 TYR A 22 35.218 32.106 11.833 1.00 0.11 H new ATOM 0 HB3 TYR A 22 34.075 33.129 12.679 1.00 0.11 H new ATOM 0 HD1 TYR A 22 31.907 33.739 10.890 1.00 0.12 H new ATOM 0 HD2 TYR A 22 34.260 30.139 11.054 1.00 0.11 H new ATOM 0 HE1 TYR A 22 30.052 32.469 9.846 1.00 0.13 H new ATOM 0 HE2 TYR A 22 32.397 28.881 10.013 1.00 0.12 H new ATOM 0 HH TYR A 22 30.434 29.188 8.711 1.00 0.15 H new ATOM 368 N PRO A 23 34.764 35.925 12.353 1.00 0.14 N ATOM 369 CA PRO A 23 35.356 36.936 13.254 1.00 0.16 C ATOM 370 C PRO A 23 36.030 36.250 14.455 1.00 0.16 C ATOM 371 O PRO A 23 35.977 35.048 14.609 1.00 0.15 O ATOM 372 CB PRO A 23 34.170 37.816 13.713 1.00 0.17 C ATOM 373 CG PRO A 23 32.873 37.178 13.143 1.00 0.15 C ATOM 374 CD PRO A 23 33.295 36.023 12.205 1.00 0.14 C ATOM 0 HA PRO A 23 36.126 37.528 12.760 1.00 0.16 H new ATOM 0 HB2 PRO A 23 34.127 37.866 14.801 1.00 0.17 H new ATOM 0 HB3 PRO A 23 34.287 38.837 13.351 1.00 0.17 H new ATOM 0 HG2 PRO A 23 32.243 36.805 13.950 1.00 0.15 H new ATOM 0 HG3 PRO A 23 32.288 37.920 12.599 1.00 0.15 H new ATOM 0 HD2 PRO A 23 32.807 35.089 12.485 1.00 0.14 H new ATOM 0 HD3 PRO A 23 33.016 36.231 11.172 1.00 0.14 H new ATOM 382 N TRP A 24 36.661 37.021 15.297 1.00 0.18 N ATOM 383 CA TRP A 24 37.352 36.450 16.494 1.00 0.19 C ATOM 384 C TRP A 24 36.337 36.126 17.596 1.00 0.19 C ATOM 385 O TRP A 24 36.650 35.450 18.556 1.00 0.21 O ATOM 386 CB TRP A 24 38.363 37.477 17.014 1.00 0.21 C ATOM 387 CG TRP A 24 38.989 36.986 18.281 1.00 0.28 C ATOM 388 CD1 TRP A 24 38.579 37.318 19.527 1.00 0.34 C ATOM 389 CD2 TRP A 24 40.128 36.093 18.449 1.00 0.33 C ATOM 390 NE1 TRP A 24 39.395 36.687 20.449 1.00 0.42 N ATOM 391 CE2 TRP A 24 40.365 35.921 19.834 1.00 0.42 C ATOM 392 CE3 TRP A 24 40.972 35.422 17.545 1.00 0.35 C ATOM 393 CZ2 TRP A 24 41.400 35.113 20.305 1.00 0.50 C ATOM 394 CZ3 TRP A 24 42.016 34.608 18.016 1.00 0.45 C ATOM 395 CH2 TRP A 24 42.230 34.455 19.394 1.00 0.52 C ATOM 0 H TRP A 24 36.730 38.035 15.208 1.00 0.18 H new ATOM 0 HA TRP A 24 37.861 35.528 16.211 1.00 0.19 H new ATOM 0 HB2 TRP A 24 39.133 37.653 16.263 1.00 0.21 H new ATOM 0 HB3 TRP A 24 37.866 38.431 17.191 1.00 0.21 H new ATOM 0 HD1 TRP A 24 37.750 37.969 19.763 1.00 0.34 H new ATOM 0 HE1 TRP A 24 39.292 36.777 21.460 1.00 0.42 H new ATOM 0 HE3 TRP A 24 40.816 35.533 16.482 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 41.559 34.997 21.367 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 42.657 34.097 17.313 1.00 0.45 H new ATOM 0 HH2 TRP A 24 43.035 33.829 19.750 1.00 0.52 H new ATOM 406 N GLU A 25 35.135 36.615 17.483 1.00 0.18 N ATOM 407 CA GLU A 25 34.120 36.347 18.545 1.00 0.21 C ATOM 408 C GLU A 25 33.532 34.935 18.408 1.00 0.17 C ATOM 409 O GLU A 25 32.885 34.446 19.313 1.00 0.20 O ATOM 410 CB GLU A 25 32.992 37.374 18.434 1.00 0.29 C ATOM 411 CG GLU A 25 31.979 37.144 19.558 1.00 1.15 C ATOM 412 CD GLU A 25 31.066 38.364 19.682 1.00 1.55 C ATOM 413 OE1 GLU A 25 31.164 39.241 18.839 1.00 1.97 O ATOM 414 OE2 GLU A 25 30.283 38.401 20.618 1.00 2.18 O ATOM 0 H GLU A 25 34.809 37.188 16.704 1.00 0.18 H new ATOM 0 HA GLU A 25 34.610 36.423 19.516 1.00 0.21 H new ATOM 0 HB2 GLU A 25 33.398 38.384 18.497 1.00 0.29 H new ATOM 0 HB3 GLU A 25 32.501 37.287 17.465 1.00 0.29 H new ATOM 0 HG2 GLU A 25 31.386 36.253 19.351 1.00 1.15 H new ATOM 0 HG3 GLU A 25 32.499 36.969 20.500 1.00 1.15 H new ATOM 421 N LEU A 26 33.727 34.276 17.291 1.00 0.13 N ATOM 422 CA LEU A 26 33.148 32.900 17.121 1.00 0.11 C ATOM 423 C LEU A 26 34.183 31.825 17.444 1.00 0.10 C ATOM 424 O LEU A 26 34.123 30.729 16.925 1.00 0.11 O ATOM 425 CB LEU A 26 32.679 32.711 15.680 1.00 0.10 C ATOM 426 CG LEU A 26 31.856 33.918 15.228 1.00 0.10 C ATOM 427 CD1 LEU A 26 31.164 33.579 13.910 1.00 0.11 C ATOM 428 CD2 LEU A 26 30.798 34.265 16.284 1.00 0.12 C ATOM 0 H LEU A 26 34.258 34.626 16.493 1.00 0.13 H new ATOM 0 HA LEU A 26 32.308 32.802 17.809 1.00 0.11 H new ATOM 0 HB2 LEU A 26 33.540 32.583 15.024 1.00 0.10 H new ATOM 0 HB3 LEU A 26 32.080 31.804 15.601 1.00 0.10 H new ATOM 0 HG LEU A 26 32.516 34.775 15.096 1.00 0.10 H new ATOM 0 HD11 LEU A 26 30.574 34.433 13.579 1.00 0.11 H new ATOM 0 HD12 LEU A 26 31.914 33.341 13.156 1.00 0.11 H new ATOM 0 HD13 LEU A 26 30.509 32.720 14.053 1.00 0.11 H new ATOM 0 HD21 LEU A 26 30.219 35.126 15.950 1.00 0.12 H new ATOM 0 HD22 LEU A 26 30.133 33.413 16.426 1.00 0.12 H new ATOM 0 HD23 LEU A 26 31.290 34.502 17.227 1.00 0.12 H new ATOM 440 N MET A 27 35.120 32.105 18.302 1.00 0.12 N ATOM 441 CA MET A 27 36.122 31.066 18.639 1.00 0.13 C ATOM 442 C MET A 27 35.481 29.941 19.497 1.00 0.11 C ATOM 443 O MET A 27 35.841 28.793 19.323 1.00 0.13 O ATOM 444 CB MET A 27 37.315 31.702 19.384 1.00 0.18 C ATOM 445 CG MET A 27 38.338 32.250 18.381 1.00 0.19 C ATOM 446 SD MET A 27 39.814 32.784 19.276 1.00 1.17 S ATOM 447 CE MET A 27 40.669 31.188 19.274 1.00 0.31 C ATOM 0 H MET A 27 35.234 32.999 18.779 1.00 0.12 H new ATOM 0 HA MET A 27 36.484 30.620 17.713 1.00 0.13 H new ATOM 0 HB2 MET A 27 36.962 32.506 20.030 1.00 0.18 H new ATOM 0 HB3 MET A 27 37.788 30.960 20.028 1.00 0.18 H new ATOM 0 HG2 MET A 27 38.597 31.483 17.651 1.00 0.19 H new ATOM 0 HG3 MET A 27 37.911 33.086 17.827 1.00 0.19 H new ATOM 0 HE1 MET A 27 41.626 31.287 19.787 1.00 0.31 H new ATOM 0 HE2 MET A 27 40.057 30.447 19.788 1.00 0.31 H new ATOM 0 HE3 MET A 27 40.840 30.868 18.246 1.00 0.31 H new ATOM 457 N PRO A 28 34.559 30.263 20.402 1.00 0.10 N ATOM 458 CA PRO A 28 33.926 29.223 21.246 1.00 0.09 C ATOM 459 C PRO A 28 33.241 28.161 20.375 1.00 0.10 C ATOM 460 O PRO A 28 33.178 27.004 20.733 1.00 0.19 O ATOM 461 CB PRO A 28 32.909 29.990 22.120 1.00 0.09 C ATOM 462 CG PRO A 28 33.238 31.496 21.963 1.00 0.11 C ATOM 463 CD PRO A 28 34.075 31.637 20.680 1.00 0.11 C ATOM 0 HA PRO A 28 34.649 28.682 21.856 1.00 0.09 H new ATOM 0 HB2 PRO A 28 31.888 29.781 21.800 1.00 0.09 H new ATOM 0 HB3 PRO A 28 32.986 29.683 23.163 1.00 0.09 H new ATOM 0 HG2 PRO A 28 32.324 32.086 21.895 1.00 0.11 H new ATOM 0 HG3 PRO A 28 33.791 31.863 22.828 1.00 0.11 H new ATOM 0 HD2 PRO A 28 33.476 32.022 19.855 1.00 0.11 H new ATOM 0 HD3 PRO A 28 34.905 32.330 20.821 1.00 0.11 H new ATOM 471 N LEU A 29 32.733 28.534 19.234 1.00 0.11 N ATOM 472 CA LEU A 29 32.072 27.524 18.362 1.00 0.09 C ATOM 473 C LEU A 29 33.157 26.735 17.634 1.00 0.10 C ATOM 474 O LEU A 29 33.126 25.522 17.586 1.00 0.19 O ATOM 475 CB LEU A 29 31.152 28.223 17.359 1.00 0.08 C ATOM 476 CG LEU A 29 30.200 29.165 18.108 1.00 0.08 C ATOM 477 CD1 LEU A 29 29.419 30.005 17.095 1.00 0.09 C ATOM 478 CD2 LEU A 29 29.218 28.346 18.964 1.00 0.08 C ATOM 0 H LEU A 29 32.746 29.487 18.870 1.00 0.11 H new ATOM 0 HA LEU A 29 31.465 26.846 18.962 1.00 0.09 H new ATOM 0 HB2 LEU A 29 31.744 28.786 16.637 1.00 0.08 H new ATOM 0 HB3 LEU A 29 30.581 27.484 16.796 1.00 0.08 H new ATOM 0 HG LEU A 29 30.779 29.820 18.759 1.00 0.08 H new ATOM 0 HD11 LEU A 29 28.742 30.676 17.624 1.00 0.09 H new ATOM 0 HD12 LEU A 29 30.115 30.591 16.495 1.00 0.09 H new ATOM 0 HD13 LEU A 29 28.843 29.347 16.444 1.00 0.09 H new ATOM 0 HD21 LEU A 29 28.545 29.021 19.493 1.00 0.08 H new ATOM 0 HD22 LEU A 29 28.637 27.686 18.320 1.00 0.08 H new ATOM 0 HD23 LEU A 29 29.775 27.750 19.687 1.00 0.08 H new ATOM 490 N MET A 30 34.137 27.408 17.098 1.00 0.10 N ATOM 491 CA MET A 30 35.237 26.681 16.416 1.00 0.12 C ATOM 492 C MET A 30 35.916 25.796 17.462 1.00 0.10 C ATOM 493 O MET A 30 36.557 24.812 17.151 1.00 0.11 O ATOM 494 CB MET A 30 36.247 27.688 15.853 1.00 0.16 C ATOM 495 CG MET A 30 35.741 28.234 14.517 1.00 0.19 C ATOM 496 SD MET A 30 34.172 29.106 14.774 1.00 1.16 S ATOM 497 CE MET A 30 33.261 28.414 13.368 1.00 0.20 C ATOM 0 H MET A 30 34.221 28.424 17.104 1.00 0.10 H new ATOM 0 HA MET A 30 34.853 26.079 15.593 1.00 0.12 H new ATOM 0 HB2 MET A 30 36.392 28.505 16.559 1.00 0.16 H new ATOM 0 HB3 MET A 30 37.216 27.208 15.717 1.00 0.16 H new ATOM 0 HG2 MET A 30 36.479 28.911 14.086 1.00 0.19 H new ATOM 0 HG3 MET A 30 35.604 27.418 13.807 1.00 0.19 H new ATOM 0 HE1 MET A 30 32.482 29.112 13.060 1.00 0.20 H new ATOM 0 HE2 MET A 30 33.947 28.246 12.538 1.00 0.20 H new ATOM 0 HE3 MET A 30 32.805 27.468 13.660 1.00 0.20 H new ATOM 507 N TYR A 31 35.761 26.152 18.708 1.00 0.09 N ATOM 508 CA TYR A 31 36.371 25.358 19.810 1.00 0.09 C ATOM 509 C TYR A 31 35.524 24.105 20.048 1.00 0.09 C ATOM 510 O TYR A 31 36.037 23.024 20.257 1.00 0.10 O ATOM 511 CB TYR A 31 36.396 26.217 21.081 1.00 0.09 C ATOM 512 CG TYR A 31 36.792 25.382 22.276 1.00 0.10 C ATOM 513 CD1 TYR A 31 38.143 25.162 22.557 1.00 0.11 C ATOM 514 CD2 TYR A 31 35.806 24.837 23.106 1.00 0.10 C ATOM 515 CE1 TYR A 31 38.510 24.391 23.668 1.00 0.12 C ATOM 516 CE2 TYR A 31 36.170 24.068 24.216 1.00 0.11 C ATOM 517 CZ TYR A 31 37.523 23.843 24.497 1.00 0.12 C ATOM 518 OH TYR A 31 37.884 23.085 25.592 1.00 0.14 O ATOM 0 H TYR A 31 35.231 26.969 19.012 1.00 0.09 H new ATOM 0 HA TYR A 31 37.387 25.063 19.548 1.00 0.09 H new ATOM 0 HB2 TYR A 31 37.099 27.041 20.957 1.00 0.09 H new ATOM 0 HB3 TYR A 31 35.414 26.659 21.248 1.00 0.09 H new ATOM 0 HD1 TYR A 31 38.904 25.586 21.918 1.00 0.11 H new ATOM 0 HD2 TYR A 31 34.762 25.010 22.889 1.00 0.10 H new ATOM 0 HE1 TYR A 31 39.554 24.219 23.885 1.00 0.12 H new ATOM 0 HE2 TYR A 31 35.408 23.648 24.856 1.00 0.11 H new ATOM 0 HH TYR A 31 37.078 22.782 26.060 1.00 0.14 H new ATOM 528 N VAL A 32 34.228 24.248 20.013 1.00 0.09 N ATOM 529 CA VAL A 32 33.334 23.076 20.232 1.00 0.09 C ATOM 530 C VAL A 32 33.434 22.128 19.039 1.00 0.09 C ATOM 531 O VAL A 32 33.709 20.954 19.186 1.00 0.12 O ATOM 532 CB VAL A 32 31.888 23.567 20.362 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.953 22.363 20.538 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.757 24.524 21.570 1.00 0.12 C ATOM 0 H VAL A 32 33.747 25.131 19.841 1.00 0.09 H new ATOM 0 HA VAL A 32 33.633 22.553 21.140 1.00 0.09 H new ATOM 0 HB VAL A 32 31.610 24.109 19.458 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.924 22.712 20.631 1.00 0.09 H new ATOM 0 HG12 VAL A 32 31.037 21.707 19.671 1.00 0.09 H new ATOM 0 HG13 VAL A 32 31.232 21.814 21.437 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.726 24.867 21.653 1.00 0.12 H new ATOM 0 HG22 VAL A 32 32.039 23.999 22.483 1.00 0.12 H new ATOM 0 HG23 VAL A 32 32.414 25.382 21.427 1.00 0.12 H new ATOM 544 N ILE A 33 33.206 22.631 17.856 1.00 0.09 N ATOM 545 CA ILE A 33 33.280 21.772 16.643 1.00 0.09 C ATOM 546 C ILE A 33 34.546 20.895 16.713 1.00 0.10 C ATOM 547 O ILE A 33 34.461 19.683 16.738 1.00 0.11 O ATOM 548 CB ILE A 33 33.264 22.694 15.411 1.00 0.09 C ATOM 549 CG1 ILE A 33 31.893 23.388 15.368 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.468 21.895 14.121 1.00 0.10 C ATOM 551 CD1 ILE A 33 31.845 24.440 14.256 1.00 0.09 C ATOM 0 H ILE A 33 32.970 23.607 17.678 1.00 0.09 H new ATOM 0 HA ILE A 33 32.430 21.093 16.576 1.00 0.09 H new ATOM 0 HB ILE A 33 34.074 23.419 15.487 1.00 0.09 H new ATOM 0 HG12 ILE A 33 31.111 22.646 15.206 1.00 0.10 H new ATOM 0 HG13 ILE A 33 31.690 23.860 16.329 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.452 22.572 13.267 1.00 0.10 H new ATOM 0 HG22 ILE A 33 34.429 21.382 14.159 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.669 21.161 14.017 1.00 0.10 H new ATOM 0 HD11 ILE A 33 30.864 24.916 14.247 1.00 0.09 H new ATOM 0 HD12 ILE A 33 32.612 25.193 14.434 1.00 0.09 H new ATOM 0 HD13 ILE A 33 32.024 23.961 13.294 1.00 0.09 H new ATOM 563 N LEU A 34 35.713 21.479 16.776 1.00 0.10 N ATOM 564 CA LEU A 34 36.953 20.649 16.877 1.00 0.11 C ATOM 565 C LEU A 34 36.820 19.707 18.089 1.00 0.13 C ATOM 566 O LEU A 34 37.213 18.561 18.036 1.00 0.20 O ATOM 567 CB LEU A 34 38.170 21.600 17.062 1.00 0.09 C ATOM 568 CG LEU A 34 39.041 21.804 15.767 1.00 0.09 C ATOM 569 CD1 LEU A 34 38.282 21.511 14.457 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.535 23.256 15.734 1.00 0.10 C ATOM 0 H LEU A 34 35.863 22.488 16.762 1.00 0.10 H new ATOM 0 HA LEU A 34 37.096 20.052 15.976 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.808 22.572 17.398 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.806 21.206 17.854 1.00 0.09 H new ATOM 0 HG LEU A 34 39.864 21.091 15.822 1.00 0.09 H new ATOM 0 HD11 LEU A 34 38.946 21.673 13.608 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.940 20.476 14.458 1.00 0.10 H new ATOM 0 HD13 LEU A 34 37.423 22.177 14.378 1.00 0.10 H new ATOM 0 HD21 LEU A 34 40.141 23.414 14.842 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.679 23.931 15.716 1.00 0.10 H new ATOM 0 HD23 LEU A 34 40.136 23.456 16.621 1.00 0.10 H new ATOM 582 N LYS A 35 36.274 20.176 19.177 1.00 0.12 N ATOM 583 CA LYS A 35 36.132 19.292 20.372 1.00 0.15 C ATOM 584 C LYS A 35 35.319 18.048 20.005 1.00 0.21 C ATOM 585 O LYS A 35 35.551 16.972 20.520 1.00 0.29 O ATOM 586 CB LYS A 35 35.420 20.057 21.495 1.00 0.13 C ATOM 587 CG LYS A 35 35.634 19.331 22.826 1.00 0.17 C ATOM 588 CD LYS A 35 34.694 19.911 23.885 1.00 0.26 C ATOM 589 CE LYS A 35 34.826 19.106 25.179 1.00 0.80 C ATOM 590 NZ LYS A 35 33.779 19.543 26.146 1.00 1.49 N ATOM 0 H LYS A 35 35.922 21.126 19.292 1.00 0.12 H new ATOM 0 HA LYS A 35 37.122 18.986 20.711 1.00 0.15 H new ATOM 0 HB2 LYS A 35 35.806 21.074 21.558 1.00 0.13 H new ATOM 0 HB3 LYS A 35 34.355 20.134 21.278 1.00 0.13 H new ATOM 0 HG2 LYS A 35 35.446 18.264 22.704 1.00 0.17 H new ATOM 0 HG3 LYS A 35 36.670 19.438 23.147 1.00 0.17 H new ATOM 0 HD2 LYS A 35 34.937 20.958 24.069 1.00 0.26 H new ATOM 0 HD3 LYS A 35 33.664 19.881 23.529 1.00 0.26 H new ATOM 0 HE2 LYS A 35 34.721 18.041 24.970 1.00 0.80 H new ATOM 0 HE3 LYS A 35 35.817 19.250 25.610 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 33.385 18.711 26.630 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 34.200 20.185 26.848 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 33.020 20.038 25.636 1.00 1.49 H new ATOM 604 N ASP A 36 34.365 18.182 19.124 1.00 0.24 N ATOM 605 CA ASP A 36 33.536 17.004 18.730 1.00 0.32 C ATOM 606 C ASP A 36 34.215 16.249 17.583 1.00 0.26 C ATOM 607 O ASP A 36 34.219 15.034 17.541 1.00 0.36 O ATOM 608 CB ASP A 36 32.155 17.491 18.275 1.00 0.42 C ATOM 609 CG ASP A 36 31.296 17.824 19.498 1.00 0.84 C ATOM 610 OD1 ASP A 36 30.806 16.898 20.123 1.00 1.56 O ATOM 611 OD2 ASP A 36 31.142 18.999 19.788 1.00 1.42 O ATOM 0 H ASP A 36 34.123 19.057 18.659 1.00 0.24 H new ATOM 0 HA ASP A 36 33.429 16.334 19.583 1.00 0.32 H new ATOM 0 HB2 ASP A 36 32.260 18.372 17.642 1.00 0.42 H new ATOM 0 HB3 ASP A 36 31.668 16.723 17.675 1.00 0.42 H new ATOM 616 N ALA A 37 34.771 16.961 16.644 1.00 0.18 N ATOM 617 CA ALA A 37 35.432 16.294 15.487 1.00 0.17 C ATOM 618 C ALA A 37 36.816 15.785 15.884 1.00 0.16 C ATOM 619 O ALA A 37 37.737 15.802 15.091 1.00 0.21 O ATOM 620 CB ALA A 37 35.583 17.307 14.355 1.00 0.19 C ATOM 0 H ALA A 37 34.797 17.981 16.627 1.00 0.18 H new ATOM 0 HA ALA A 37 34.822 15.449 15.167 1.00 0.17 H new ATOM 0 HB1 ALA A 37 36.066 16.830 13.502 1.00 0.19 H new ATOM 0 HB2 ALA A 37 34.599 17.671 14.058 1.00 0.19 H new ATOM 0 HB3 ALA A 37 36.192 18.145 14.695 1.00 0.19 H new ATOM 626 N ASP A 38 36.988 15.342 17.093 1.00 0.18 N ATOM 627 CA ASP A 38 38.333 14.856 17.496 1.00 0.20 C ATOM 628 C ASP A 38 39.348 15.962 17.198 1.00 0.18 C ATOM 629 O ASP A 38 40.540 15.740 17.140 1.00 0.22 O ATOM 630 CB ASP A 38 38.675 13.594 16.689 1.00 0.25 C ATOM 631 CG ASP A 38 39.723 12.765 17.437 1.00 1.00 C ATOM 632 OD1 ASP A 38 40.860 13.203 17.504 1.00 1.82 O ATOM 633 OD2 ASP A 38 39.370 11.706 17.930 1.00 1.65 O ATOM 0 H ASP A 38 36.267 15.295 17.813 1.00 0.18 H new ATOM 0 HA ASP A 38 38.354 14.611 18.558 1.00 0.20 H new ATOM 0 HB2 ASP A 38 37.776 13.000 16.528 1.00 0.25 H new ATOM 0 HB3 ASP A 38 39.053 13.872 15.705 1.00 0.25 H new ATOM 638 N ALA A 39 38.856 17.152 17.002 1.00 0.14 N ATOM 639 CA ALA A 39 39.732 18.310 16.696 1.00 0.14 C ATOM 640 C ALA A 39 40.379 18.126 15.322 1.00 0.14 C ATOM 641 O ALA A 39 41.266 18.863 14.942 1.00 0.16 O ATOM 642 CB ALA A 39 40.810 18.452 17.769 1.00 0.16 C ATOM 0 H ALA A 39 37.861 17.373 17.043 1.00 0.14 H new ATOM 0 HA ALA A 39 39.128 19.217 16.684 1.00 0.14 H new ATOM 0 HB1 ALA A 39 41.447 19.305 17.534 1.00 0.16 H new ATOM 0 HB2 ALA A 39 40.339 18.607 18.740 1.00 0.16 H new ATOM 0 HB3 ALA A 39 41.414 17.545 17.800 1.00 0.16 H new ATOM 648 N ASN A 40 39.933 17.160 14.566 1.00 0.14 N ATOM 649 CA ASN A 40 40.518 16.953 13.212 1.00 0.16 C ATOM 650 C ASN A 40 39.906 17.984 12.266 1.00 0.14 C ATOM 651 O ASN A 40 38.801 17.825 11.787 1.00 0.15 O ATOM 652 CB ASN A 40 40.202 15.537 12.719 1.00 0.20 C ATOM 653 CG ASN A 40 41.129 15.178 11.555 1.00 0.78 C ATOM 654 OD1 ASN A 40 41.453 16.098 10.687 1.00 1.77 O flip ATOM 655 ND2 ASN A 40 41.561 14.050 11.433 1.00 1.19 N flip ATOM 0 H ASN A 40 39.193 16.508 14.826 1.00 0.14 H new ATOM 0 HA ASN A 40 41.601 17.072 13.247 1.00 0.16 H new ATOM 0 HB2 ASN A 40 40.329 14.822 13.532 1.00 0.20 H new ATOM 0 HB3 ASN A 40 39.161 15.476 12.400 1.00 0.20 H new ATOM 0 HD21 ASN A 40 41.308 13.331 12.111 1.00 1.19 H new ATOM 0 HD22 ASN A 40 42.177 13.821 10.653 1.00 1.19 H new ATOM 662 N ILE A 41 40.608 19.053 12.018 1.00 0.13 N ATOM 663 CA ILE A 41 40.067 20.118 11.130 1.00 0.12 C ATOM 664 C ILE A 41 39.425 19.512 9.882 1.00 0.13 C ATOM 665 O ILE A 41 38.322 19.868 9.520 1.00 0.14 O ATOM 666 CB ILE A 41 41.192 21.079 10.748 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.582 21.868 12.009 1.00 0.13 C ATOM 668 CG2 ILE A 41 40.702 22.027 9.640 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.742 22.818 11.717 1.00 0.16 C ATOM 0 H ILE A 41 41.538 19.236 12.394 1.00 0.13 H new ATOM 0 HA ILE A 41 39.293 20.668 11.665 1.00 0.12 H new ATOM 0 HB ILE A 41 42.059 20.537 10.370 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.723 22.435 12.369 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.863 21.177 12.804 1.00 0.13 H new ATOM 0 HG21 ILE A 41 41.504 22.713 9.367 1.00 0.15 H new ATOM 0 HG22 ILE A 41 40.409 21.445 8.766 1.00 0.15 H new ATOM 0 HG23 ILE A 41 39.845 22.596 10.001 1.00 0.15 H new ATOM 0 HD11 ILE A 41 43.001 23.366 12.623 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.606 22.245 11.380 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.448 23.522 10.939 1.00 0.16 H new ATOM 681 N GLU A 42 40.085 18.604 9.216 1.00 0.15 N ATOM 682 CA GLU A 42 39.472 18.002 8.002 1.00 0.16 C ATOM 683 C GLU A 42 38.049 17.563 8.343 1.00 0.16 C ATOM 684 O GLU A 42 37.086 18.062 7.798 1.00 0.19 O ATOM 685 CB GLU A 42 40.296 16.790 7.559 1.00 0.19 C ATOM 686 CG GLU A 42 41.714 17.241 7.200 1.00 0.26 C ATOM 687 CD GLU A 42 42.638 16.023 7.130 1.00 1.04 C ATOM 688 OE1 GLU A 42 42.238 15.033 6.540 1.00 1.67 O ATOM 689 OE2 GLU A 42 43.731 16.102 7.666 1.00 1.80 O ATOM 0 H GLU A 42 41.013 18.257 9.458 1.00 0.15 H new ATOM 0 HA GLU A 42 39.452 18.730 7.191 1.00 0.16 H new ATOM 0 HB2 GLU A 42 40.330 16.048 8.357 1.00 0.19 H new ATOM 0 HB3 GLU A 42 39.826 16.312 6.699 1.00 0.19 H new ATOM 0 HG2 GLU A 42 41.709 17.762 6.243 1.00 0.26 H new ATOM 0 HG3 GLU A 42 42.082 17.947 7.945 1.00 0.26 H new ATOM 696 N GLU A 43 37.909 16.660 9.268 1.00 0.15 N ATOM 697 CA GLU A 43 36.548 16.212 9.659 1.00 0.16 C ATOM 698 C GLU A 43 35.704 17.433 10.014 1.00 0.15 C ATOM 699 O GLU A 43 34.690 17.691 9.403 1.00 0.21 O ATOM 700 CB GLU A 43 36.635 15.285 10.872 1.00 0.18 C ATOM 701 CG GLU A 43 35.246 14.725 11.192 1.00 0.33 C ATOM 702 CD GLU A 43 35.383 13.515 12.118 1.00 1.21 C ATOM 703 OE1 GLU A 43 36.363 13.455 12.841 1.00 1.84 O ATOM 704 OE2 GLU A 43 34.505 12.668 12.089 1.00 1.95 O ATOM 0 H GLU A 43 38.677 16.213 9.770 1.00 0.15 H new ATOM 0 HA GLU A 43 36.091 15.673 8.829 1.00 0.16 H new ATOM 0 HB2 GLU A 43 37.329 14.469 10.670 1.00 0.18 H new ATOM 0 HB3 GLU A 43 37.025 15.830 11.732 1.00 0.18 H new ATOM 0 HG2 GLU A 43 34.634 15.492 11.667 1.00 0.33 H new ATOM 0 HG3 GLU A 43 34.738 14.436 10.272 1.00 0.33 H new ATOM 711 N ALA A 44 36.110 18.195 10.994 1.00 0.13 N ATOM 712 CA ALA A 44 35.310 19.395 11.368 1.00 0.14 C ATOM 713 C ALA A 44 35.018 20.220 10.113 1.00 0.16 C ATOM 714 O ALA A 44 33.879 20.473 9.773 1.00 0.20 O ATOM 715 CB ALA A 44 36.088 20.247 12.377 1.00 0.14 C ATOM 0 H ALA A 44 36.953 18.040 11.547 1.00 0.13 H new ATOM 0 HA ALA A 44 34.372 19.077 11.822 1.00 0.14 H new ATOM 0 HB1 ALA A 44 35.497 21.123 12.646 1.00 0.14 H new ATOM 0 HB2 ALA A 44 36.291 19.657 13.271 1.00 0.14 H new ATOM 0 HB3 ALA A 44 37.030 20.568 11.932 1.00 0.14 H new ATOM 721 N SER A 45 36.039 20.643 9.428 1.00 0.16 N ATOM 722 CA SER A 45 35.829 21.454 8.200 1.00 0.21 C ATOM 723 C SER A 45 34.866 20.722 7.257 1.00 0.20 C ATOM 724 O SER A 45 34.198 21.332 6.446 1.00 0.32 O ATOM 725 CB SER A 45 37.172 21.683 7.507 1.00 0.26 C ATOM 726 OG SER A 45 36.956 22.339 6.266 1.00 1.01 O ATOM 0 H SER A 45 37.014 20.462 9.666 1.00 0.16 H new ATOM 0 HA SER A 45 35.396 22.418 8.467 1.00 0.21 H new ATOM 0 HB2 SER A 45 37.823 22.285 8.141 1.00 0.26 H new ATOM 0 HB3 SER A 45 37.677 20.731 7.345 1.00 0.26 H new ATOM 0 HG SER A 45 37.781 22.318 5.737 1.00 1.01 H new ATOM 732 N ARG A 46 34.776 19.420 7.362 1.00 0.18 N ATOM 733 CA ARG A 46 33.839 18.664 6.474 1.00 0.20 C ATOM 734 C ARG A 46 32.411 18.806 7.034 1.00 0.16 C ATOM 735 O ARG A 46 31.440 18.618 6.329 1.00 0.22 O ATOM 736 CB ARG A 46 34.258 17.165 6.415 1.00 0.23 C ATOM 737 CG ARG A 46 34.949 16.810 5.072 1.00 0.85 C ATOM 738 CD ARG A 46 36.442 17.173 5.121 1.00 1.14 C ATOM 739 NE ARG A 46 36.611 18.659 5.265 1.00 1.59 N ATOM 740 CZ ARG A 46 36.157 19.494 4.368 1.00 2.17 C ATOM 741 NH1 ARG A 46 35.650 19.054 3.250 1.00 2.66 N ATOM 742 NH2 ARG A 46 36.246 20.779 4.575 1.00 2.87 N ATOM 0 H ARG A 46 35.307 18.850 8.020 1.00 0.18 H new ATOM 0 HA ARG A 46 33.874 19.066 5.461 1.00 0.20 H new ATOM 0 HB2 ARG A 46 34.934 16.944 7.241 1.00 0.23 H new ATOM 0 HB3 ARG A 46 33.377 16.536 6.548 1.00 0.23 H new ATOM 0 HG2 ARG A 46 34.834 15.745 4.868 1.00 0.85 H new ATOM 0 HG3 ARG A 46 34.465 17.345 4.255 1.00 0.85 H new ATOM 0 HD2 ARG A 46 36.920 16.663 5.957 1.00 1.14 H new ATOM 0 HD3 ARG A 46 36.937 16.830 4.213 1.00 1.14 H new ATOM 0 HE ARG A 46 37.093 19.026 6.085 1.00 1.59 H new ATOM 0 HH11 ARG A 46 35.605 18.051 3.070 1.00 2.66 H new ATOM 0 HH12 ARG A 46 35.298 19.713 2.555 1.00 2.66 H new ATOM 0 HH21 ARG A 46 36.669 21.129 5.435 1.00 2.87 H new ATOM 0 HH22 ARG A 46 35.893 21.434 3.877 1.00 2.87 H new ATOM 756 N ARG A 47 32.276 19.144 8.293 1.00 0.13 N ATOM 757 CA ARG A 47 30.909 19.305 8.881 1.00 0.13 C ATOM 758 C ARG A 47 30.393 20.709 8.576 1.00 0.11 C ATOM 759 O ARG A 47 29.367 20.887 7.949 1.00 0.13 O ATOM 760 CB ARG A 47 30.965 19.123 10.401 1.00 0.18 C ATOM 761 CG ARG A 47 31.682 17.818 10.744 1.00 0.49 C ATOM 762 CD ARG A 47 31.449 17.458 12.212 1.00 0.62 C ATOM 763 NE ARG A 47 32.235 18.389 13.069 1.00 0.81 N ATOM 764 CZ ARG A 47 32.092 18.364 14.362 1.00 1.20 C ATOM 765 NH1 ARG A 47 31.289 17.500 14.910 1.00 1.99 N ATOM 766 NH2 ARG A 47 32.765 19.190 15.109 1.00 1.63 N ATOM 0 H ARG A 47 33.049 19.315 8.936 1.00 0.13 H new ATOM 0 HA ARG A 47 30.247 18.555 8.449 1.00 0.13 H new ATOM 0 HB2 ARG A 47 31.486 19.965 10.858 1.00 0.18 H new ATOM 0 HB3 ARG A 47 29.955 19.112 10.812 1.00 0.18 H new ATOM 0 HG2 ARG A 47 31.318 17.015 10.103 1.00 0.49 H new ATOM 0 HG3 ARG A 47 32.750 17.920 10.552 1.00 0.49 H new ATOM 0 HD2 ARG A 47 30.388 17.528 12.453 1.00 0.62 H new ATOM 0 HD3 ARG A 47 31.751 16.428 12.400 1.00 0.62 H new ATOM 0 HE ARG A 47 32.886 19.047 12.641 1.00 0.81 H new ATOM 0 HH11 ARG A 47 30.772 16.843 14.326 1.00 1.99 H new ATOM 0 HH12 ARG A 47 31.176 17.480 15.924 1.00 1.99 H new ATOM 0 HH21 ARG A 47 33.406 19.858 14.681 1.00 1.63 H new ATOM 0 HH22 ARG A 47 32.652 19.169 16.122 1.00 1.63 H new ATOM 780 N ILE A 48 31.101 21.709 9.022 1.00 0.10 N ATOM 781 CA ILE A 48 30.669 23.115 8.773 1.00 0.10 C ATOM 782 C ILE A 48 30.254 23.272 7.310 1.00 0.11 C ATOM 783 O ILE A 48 29.136 23.640 7.009 1.00 0.13 O ATOM 784 CB ILE A 48 31.826 24.060 9.087 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.382 23.723 10.475 1.00 0.09 C ATOM 786 CG2 ILE A 48 31.316 25.502 9.073 1.00 0.11 C ATOM 787 CD1 ILE A 48 33.420 24.767 10.882 1.00 0.10 C ATOM 0 H ILE A 48 31.967 21.613 9.552 1.00 0.10 H new ATOM 0 HA ILE A 48 29.820 23.357 9.412 1.00 0.10 H new ATOM 0 HB ILE A 48 32.613 23.948 8.341 1.00 0.10 H new ATOM 0 HG12 ILE A 48 31.573 23.697 11.205 1.00 0.09 H new ATOM 0 HG13 ILE A 48 32.834 22.731 10.465 1.00 0.09 H new ATOM 0 HG21 ILE A 48 32.139 26.181 9.297 1.00 0.11 H new ATOM 0 HG22 ILE A 48 30.911 25.735 8.088 1.00 0.11 H new ATOM 0 HG23 ILE A 48 30.535 25.619 9.824 1.00 0.11 H new ATOM 0 HD11 ILE A 48 33.813 24.524 11.869 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.235 24.771 10.158 1.00 0.10 H new ATOM 0 HD13 ILE A 48 32.954 25.752 10.909 1.00 0.10 H new ATOM 799 N GLU A 49 31.141 22.987 6.399 1.00 0.11 N ATOM 800 CA GLU A 49 30.793 23.106 4.951 1.00 0.12 C ATOM 801 C GLU A 49 29.450 22.427 4.708 1.00 0.12 C ATOM 802 O GLU A 49 28.485 23.048 4.309 1.00 0.13 O ATOM 803 CB GLU A 49 31.856 22.387 4.128 1.00 0.13 C ATOM 804 CG GLU A 49 33.107 23.263 4.005 1.00 0.15 C ATOM 805 CD GLU A 49 32.878 24.348 2.950 1.00 0.17 C ATOM 806 OE1 GLU A 49 32.471 24.004 1.853 1.00 1.09 O ATOM 807 OE2 GLU A 49 33.115 25.505 3.258 1.00 1.08 O ATOM 0 H GLU A 49 32.093 22.676 6.592 1.00 0.11 H new ATOM 0 HA GLU A 49 30.741 24.157 4.666 1.00 0.12 H new ATOM 0 HB2 GLU A 49 32.112 21.438 4.599 1.00 0.13 H new ATOM 0 HB3 GLU A 49 31.465 22.156 3.137 1.00 0.13 H new ATOM 0 HG2 GLU A 49 33.338 23.721 4.967 1.00 0.15 H new ATOM 0 HG3 GLU A 49 33.966 22.650 3.730 1.00 0.15 H new ATOM 814 N GLU A 50 29.381 21.154 4.974 1.00 0.12 N ATOM 815 CA GLU A 50 28.102 20.427 4.790 1.00 0.13 C ATOM 816 C GLU A 50 27.043 21.165 5.592 1.00 0.12 C ATOM 817 O GLU A 50 25.864 21.049 5.350 1.00 0.12 O ATOM 818 CB GLU A 50 28.240 18.994 5.307 1.00 0.14 C ATOM 819 CG GLU A 50 26.972 18.206 4.972 1.00 0.17 C ATOM 820 CD GLU A 50 27.202 16.723 5.265 1.00 1.15 C ATOM 821 OE1 GLU A 50 27.323 16.381 6.430 1.00 1.74 O ATOM 822 OE2 GLU A 50 27.254 15.954 4.319 1.00 2.03 O ATOM 0 H GLU A 50 30.159 20.587 5.312 1.00 0.12 H new ATOM 0 HA GLU A 50 27.829 20.385 3.735 1.00 0.13 H new ATOM 0 HB2 GLU A 50 29.109 18.515 4.855 1.00 0.14 H new ATOM 0 HB3 GLU A 50 28.404 18.999 6.385 1.00 0.14 H new ATOM 0 HG2 GLU A 50 26.133 18.578 5.560 1.00 0.17 H new ATOM 0 HG3 GLU A 50 26.711 18.344 3.923 1.00 0.17 H new ATOM 829 N GLY A 51 27.477 21.940 6.543 1.00 0.11 N ATOM 830 CA GLY A 51 26.511 22.718 7.374 1.00 0.10 C ATOM 831 C GLY A 51 26.074 23.952 6.587 1.00 0.10 C ATOM 832 O GLY A 51 24.904 24.169 6.342 1.00 0.11 O ATOM 0 H GLY A 51 28.460 22.071 6.784 1.00 0.11 H new ATOM 0 HA2 GLY A 51 25.646 22.103 7.624 1.00 0.10 H new ATOM 0 HA3 GLY A 51 26.974 23.014 8.315 1.00 0.10 H new ATOM 836 N GLN A 52 27.016 24.753 6.173 1.00 0.10 N ATOM 837 CA GLN A 52 26.682 25.973 5.378 1.00 0.12 C ATOM 838 C GLN A 52 25.727 25.581 4.259 1.00 0.12 C ATOM 839 O GLN A 52 24.706 26.204 4.046 1.00 0.13 O ATOM 840 CB GLN A 52 27.968 26.548 4.779 1.00 0.14 C ATOM 841 CG GLN A 52 28.975 26.816 5.901 1.00 0.19 C ATOM 842 CD GLN A 52 28.550 28.056 6.684 1.00 0.42 C ATOM 843 OE1 GLN A 52 29.017 28.240 7.887 1.00 0.95 O flip ATOM 844 NE2 GLN A 52 27.786 28.865 6.197 1.00 0.39 N flip ATOM 0 H GLN A 52 28.011 24.616 6.352 1.00 0.10 H new ATOM 0 HA GLN A 52 26.214 26.723 6.016 1.00 0.12 H new ATOM 0 HB2 GLN A 52 28.390 25.850 4.056 1.00 0.14 H new ATOM 0 HB3 GLN A 52 27.751 27.471 4.242 1.00 0.14 H new ATOM 0 HG2 GLN A 52 29.031 25.955 6.567 1.00 0.19 H new ATOM 0 HG3 GLN A 52 29.971 26.961 5.483 1.00 0.19 H new ATOM 0 HE21 GLN A 52 27.421 28.720 5.256 1.00 0.39 H new ATOM 0 HE22 GLN A 52 27.509 29.690 6.729 1.00 0.39 H new ATOM 853 N TYR A 53 26.049 24.542 3.551 1.00 0.12 N ATOM 854 CA TYR A 53 25.156 24.093 2.449 1.00 0.13 C ATOM 855 C TYR A 53 23.761 23.798 3.027 1.00 0.13 C ATOM 856 O TYR A 53 22.757 24.200 2.474 1.00 0.15 O ATOM 857 CB TYR A 53 25.750 22.837 1.780 1.00 0.14 C ATOM 858 CG TYR A 53 24.671 22.073 1.041 1.00 0.15 C ATOM 859 CD1 TYR A 53 23.824 21.227 1.755 1.00 0.16 C ATOM 860 CD2 TYR A 53 24.510 22.220 -0.341 1.00 0.17 C ATOM 861 CE1 TYR A 53 22.814 20.521 1.102 1.00 0.18 C ATOM 862 CE2 TYR A 53 23.497 21.513 -1.004 1.00 0.19 C ATOM 863 CZ TYR A 53 22.647 20.664 -0.281 1.00 0.19 C ATOM 864 OH TYR A 53 21.649 19.967 -0.932 1.00 0.22 O ATOM 0 H TYR A 53 26.891 23.982 3.685 1.00 0.12 H new ATOM 0 HA TYR A 53 25.069 24.873 1.693 1.00 0.13 H new ATOM 0 HB2 TYR A 53 26.540 23.126 1.087 1.00 0.14 H new ATOM 0 HB3 TYR A 53 26.206 22.196 2.535 1.00 0.14 H new ATOM 0 HD1 TYR A 53 23.951 21.117 2.822 1.00 0.16 H new ATOM 0 HD2 TYR A 53 25.164 22.876 -0.896 1.00 0.17 H new ATOM 0 HE1 TYR A 53 22.163 19.866 1.661 1.00 0.18 H new ATOM 0 HE2 TYR A 53 23.371 21.622 -2.071 1.00 0.19 H new ATOM 0 HH TYR A 53 21.671 20.181 -1.888 1.00 0.22 H new ATOM 874 N VAL A 54 23.688 23.100 4.131 1.00 0.15 N ATOM 875 CA VAL A 54 22.349 22.791 4.720 1.00 0.14 C ATOM 876 C VAL A 54 21.579 24.098 4.922 1.00 0.14 C ATOM 877 O VAL A 54 20.558 24.335 4.308 1.00 0.15 O ATOM 878 CB VAL A 54 22.502 22.092 6.086 1.00 0.13 C ATOM 879 CG1 VAL A 54 21.106 21.899 6.693 1.00 0.14 C ATOM 880 CG2 VAL A 54 23.200 20.711 5.939 1.00 0.14 C ATOM 0 H VAL A 54 24.488 22.733 4.646 1.00 0.15 H new ATOM 0 HA VAL A 54 21.813 22.129 4.040 1.00 0.14 H new ATOM 0 HB VAL A 54 23.122 22.713 6.733 1.00 0.13 H new ATOM 0 HG11 VAL A 54 21.195 21.405 7.661 1.00 0.14 H new ATOM 0 HG12 VAL A 54 20.629 22.870 6.824 1.00 0.14 H new ATOM 0 HG13 VAL A 54 20.501 21.284 6.026 1.00 0.14 H new ATOM 0 HG21 VAL A 54 23.293 20.244 6.920 1.00 0.14 H new ATOM 0 HG22 VAL A 54 22.606 20.071 5.287 1.00 0.14 H new ATOM 0 HG23 VAL A 54 24.191 20.849 5.507 1.00 0.14 H new ATOM 890 N VAL A 55 22.065 24.943 5.787 1.00 0.15 N ATOM 891 CA VAL A 55 21.375 26.236 6.050 1.00 0.16 C ATOM 892 C VAL A 55 21.160 26.979 4.731 1.00 0.19 C ATOM 893 O VAL A 55 20.051 27.324 4.374 1.00 0.22 O ATOM 894 CB VAL A 55 22.246 27.087 6.984 1.00 0.19 C ATOM 895 CG1 VAL A 55 21.481 28.341 7.414 1.00 0.29 C ATOM 896 CG2 VAL A 55 22.610 26.269 8.224 1.00 0.13 C ATOM 0 H VAL A 55 22.917 24.792 6.327 1.00 0.15 H new ATOM 0 HA VAL A 55 20.408 26.049 6.518 1.00 0.16 H new ATOM 0 HB VAL A 55 23.153 27.382 6.456 1.00 0.19 H new ATOM 0 HG11 VAL A 55 22.106 28.939 8.077 1.00 0.29 H new ATOM 0 HG12 VAL A 55 21.220 28.928 6.533 1.00 0.29 H new ATOM 0 HG13 VAL A 55 20.571 28.050 7.939 1.00 0.29 H new ATOM 0 HG21 VAL A 55 23.229 26.872 8.889 1.00 0.13 H new ATOM 0 HG22 VAL A 55 21.699 25.973 8.745 1.00 0.13 H new ATOM 0 HG23 VAL A 55 23.162 25.378 7.923 1.00 0.13 H new ATOM 906 N ASN A 56 22.214 27.234 4.012 1.00 0.22 N ATOM 907 CA ASN A 56 22.077 27.964 2.720 1.00 0.27 C ATOM 908 C ASN A 56 21.110 27.218 1.796 1.00 0.26 C ATOM 909 O ASN A 56 20.204 27.799 1.234 1.00 0.33 O ATOM 910 CB ASN A 56 23.449 28.068 2.048 1.00 0.35 C ATOM 911 CG ASN A 56 23.388 29.098 0.919 1.00 0.71 C ATOM 912 OD1 ASN A 56 22.262 29.704 0.670 1.00 1.56 O flip ATOM 913 ND2 ASN A 56 24.375 29.353 0.259 1.00 0.90 N flip ATOM 0 H ASN A 56 23.167 26.969 4.262 1.00 0.22 H new ATOM 0 HA ASN A 56 21.685 28.963 2.913 1.00 0.27 H new ATOM 0 HB2 ASN A 56 24.203 28.359 2.780 1.00 0.35 H new ATOM 0 HB3 ASN A 56 23.747 27.097 1.653 1.00 0.35 H new ATOM 0 HD21 ASN A 56 25.256 28.878 0.455 1.00 0.90 H new ATOM 0 HD22 ASN A 56 24.323 30.042 -0.491 1.00 0.90 H new ATOM 920 N GLU A 57 21.297 25.940 1.624 1.00 0.24 N ATOM 921 CA GLU A 57 20.390 25.171 0.724 1.00 0.26 C ATOM 922 C GLU A 57 18.993 25.064 1.344 1.00 0.25 C ATOM 923 O GLU A 57 18.005 24.952 0.645 1.00 0.32 O ATOM 924 CB GLU A 57 20.957 23.766 0.512 1.00 0.29 C ATOM 925 CG GLU A 57 20.189 23.069 -0.615 1.00 0.50 C ATOM 926 CD GLU A 57 20.564 23.697 -1.959 1.00 1.58 C ATOM 927 OE1 GLU A 57 21.595 23.328 -2.496 1.00 2.31 O ATOM 928 OE2 GLU A 57 19.813 24.536 -2.428 1.00 2.37 O ATOM 0 H GLU A 57 22.037 25.394 2.066 1.00 0.24 H new ATOM 0 HA GLU A 57 20.316 25.690 -0.232 1.00 0.26 H new ATOM 0 HB2 GLU A 57 22.017 23.824 0.263 1.00 0.29 H new ATOM 0 HB3 GLU A 57 20.877 23.188 1.432 1.00 0.29 H new ATOM 0 HG2 GLU A 57 20.422 22.004 -0.623 1.00 0.50 H new ATOM 0 HG3 GLU A 57 19.116 23.159 -0.447 1.00 0.50 H new ATOM 1388 N VAL B 8 12.799 20.498 11.821 1.00 0.33 N ATOM 1389 CA VAL B 8 12.917 20.547 13.306 1.00 0.39 C ATOM 1390 C VAL B 8 14.392 20.660 13.696 1.00 0.36 C ATOM 1391 O VAL B 8 14.764 21.467 14.524 1.00 0.48 O ATOM 1392 CB VAL B 8 12.319 19.276 13.914 1.00 0.50 C ATOM 1393 CG1 VAL B 8 12.062 19.497 15.407 1.00 0.98 C ATOM 1394 CG2 VAL B 8 10.998 18.951 13.214 1.00 1.19 C ATOM 0 HA VAL B 8 12.374 21.414 13.684 1.00 0.39 H new ATOM 0 HB VAL B 8 13.015 18.448 13.783 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.636 18.592 15.841 1.00 0.98 H new ATOM 0 HG12 VAL B 8 13.002 19.732 15.907 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.365 20.325 15.538 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.571 18.046 13.646 1.00 1.19 H new ATOM 0 HG22 VAL B 8 10.303 19.780 13.346 1.00 1.19 H new ATOM 0 HG23 VAL B 8 11.179 18.795 12.150 1.00 1.19 H new ATOM 1404 N PHE B 9 15.242 19.866 13.098 1.00 0.28 N ATOM 1405 CA PHE B 9 16.695 19.944 13.432 1.00 0.27 C ATOM 1406 C PHE B 9 17.127 21.410 13.402 1.00 0.25 C ATOM 1407 O PHE B 9 17.996 21.830 14.139 1.00 0.32 O ATOM 1408 CB PHE B 9 17.498 19.146 12.400 1.00 0.26 C ATOM 1409 CG PHE B 9 18.889 18.893 12.928 1.00 0.21 C ATOM 1410 CD1 PHE B 9 19.866 19.890 12.829 1.00 0.23 C ATOM 1411 CD2 PHE B 9 19.201 17.663 13.519 1.00 0.18 C ATOM 1412 CE1 PHE B 9 21.154 19.657 13.319 1.00 0.23 C ATOM 1413 CE2 PHE B 9 20.490 17.431 14.010 1.00 0.18 C ATOM 1414 CZ PHE B 9 21.466 18.429 13.910 1.00 0.20 C ATOM 0 H PHE B 9 14.994 19.169 12.395 1.00 0.28 H new ATOM 0 HA PHE B 9 16.875 19.527 14.423 1.00 0.27 H new ATOM 0 HB2 PHE B 9 17.000 18.199 12.189 1.00 0.26 H new ATOM 0 HB3 PHE B 9 17.549 19.695 11.460 1.00 0.26 H new ATOM 0 HD1 PHE B 9 19.625 20.839 12.374 1.00 0.23 H new ATOM 0 HD2 PHE B 9 18.447 16.894 13.596 1.00 0.18 H new ATOM 0 HE1 PHE B 9 21.909 20.426 13.241 1.00 0.23 H new ATOM 0 HE2 PHE B 9 20.732 16.482 14.466 1.00 0.18 H new ATOM 0 HZ PHE B 9 22.461 18.250 14.290 1.00 0.20 H new ATOM 1424 N LEU B 10 16.506 22.193 12.563 1.00 0.23 N ATOM 1425 CA LEU B 10 16.855 23.637 12.493 1.00 0.23 C ATOM 1426 C LEU B 10 16.111 24.369 13.609 1.00 0.24 C ATOM 1427 O LEU B 10 16.608 25.317 14.184 1.00 0.28 O ATOM 1428 CB LEU B 10 16.433 24.200 11.137 1.00 0.25 C ATOM 1429 CG LEU B 10 16.895 23.258 10.022 1.00 0.24 C ATOM 1430 CD1 LEU B 10 16.541 23.873 8.672 1.00 0.30 C ATOM 1431 CD2 LEU B 10 18.414 23.061 10.105 1.00 0.23 C ATOM 0 H LEU B 10 15.771 21.893 11.923 1.00 0.23 H new ATOM 0 HA LEU B 10 17.930 23.770 12.612 1.00 0.23 H new ATOM 0 HB2 LEU B 10 15.350 24.317 11.102 1.00 0.25 H new ATOM 0 HB3 LEU B 10 16.866 25.190 10.993 1.00 0.25 H new ATOM 0 HG LEU B 10 16.400 22.293 10.133 1.00 0.24 H new ATOM 0 HD11 LEU B 10 16.867 23.208 7.872 1.00 0.30 H new ATOM 0 HD12 LEU B 10 15.462 24.015 8.609 1.00 0.30 H new ATOM 0 HD13 LEU B 10 17.041 24.836 8.569 1.00 0.30 H new ATOM 0 HD21 LEU B 10 18.738 22.390 9.310 1.00 0.23 H new ATOM 0 HD22 LEU B 10 18.912 24.024 9.993 1.00 0.23 H new ATOM 0 HD23 LEU B 10 18.673 22.629 11.072 1.00 0.23 H new ATOM 1443 N ASP B 11 14.925 23.926 13.933 1.00 0.23 N ATOM 1444 CA ASP B 11 14.162 24.589 15.027 1.00 0.25 C ATOM 1445 C ASP B 11 15.021 24.572 16.289 1.00 0.22 C ATOM 1446 O ASP B 11 15.291 25.596 16.884 1.00 0.30 O ATOM 1447 CB ASP B 11 12.855 23.832 15.283 1.00 0.30 C ATOM 1448 CG ASP B 11 11.937 23.969 14.067 1.00 0.97 C ATOM 1449 OD1 ASP B 11 12.372 24.544 13.083 1.00 1.67 O ATOM 1450 OD2 ASP B 11 10.814 23.498 14.142 1.00 1.67 O ATOM 0 H ASP B 11 14.455 23.137 13.489 1.00 0.23 H new ATOM 0 HA ASP B 11 13.923 25.615 14.747 1.00 0.25 H new ATOM 0 HB2 ASP B 11 13.064 22.780 15.477 1.00 0.30 H new ATOM 0 HB3 ASP B 11 12.361 24.228 16.171 1.00 0.30 H new ATOM 1455 N TYR B 12 15.469 23.413 16.696 1.00 0.17 N ATOM 1456 CA TYR B 12 16.326 23.331 17.909 1.00 0.15 C ATOM 1457 C TYR B 12 17.461 24.346 17.780 1.00 0.16 C ATOM 1458 O TYR B 12 17.690 25.156 18.655 1.00 0.23 O ATOM 1459 CB TYR B 12 16.909 21.916 18.027 1.00 0.14 C ATOM 1460 CG TYR B 12 15.808 20.925 18.365 1.00 0.17 C ATOM 1461 CD1 TYR B 12 15.072 21.061 19.551 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.525 19.864 17.492 1.00 0.20 C ATOM 1463 CE1 TYR B 12 14.062 20.142 19.860 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.515 18.948 17.803 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.783 19.086 18.986 1.00 0.27 C ATOM 1466 OH TYR B 12 12.787 18.182 19.292 1.00 0.32 O ATOM 0 H TYR B 12 15.277 22.522 16.239 1.00 0.17 H new ATOM 0 HA TYR B 12 15.735 23.550 18.799 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.389 21.633 17.090 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.678 21.894 18.799 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.285 21.876 20.227 1.00 0.23 H new ATOM 0 HD2 TYR B 12 16.089 19.754 16.577 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.497 20.249 20.775 1.00 0.27 H new ATOM 0 HE2 TYR B 12 14.300 18.133 17.128 1.00 0.24 H new ATOM 0 HH TYR B 12 12.723 17.513 18.579 1.00 0.32 H new ATOM 1476 N CYS B 13 18.164 24.315 16.684 1.00 0.19 N ATOM 1477 CA CYS B 13 19.277 25.283 16.479 1.00 0.24 C ATOM 1478 C CYS B 13 18.775 26.694 16.804 1.00 0.26 C ATOM 1479 O CYS B 13 19.486 27.502 17.367 1.00 0.33 O ATOM 1480 CB CYS B 13 19.747 25.216 15.016 1.00 0.30 C ATOM 1481 SG CYS B 13 21.060 23.980 14.854 1.00 1.27 S ATOM 0 H CYS B 13 18.015 23.658 15.918 1.00 0.19 H new ATOM 0 HA CYS B 13 20.113 25.036 17.133 1.00 0.24 H new ATOM 0 HB2 CYS B 13 18.910 24.959 14.366 1.00 0.30 H new ATOM 0 HB3 CYS B 13 20.111 26.192 14.696 1.00 0.30 H new ATOM 0 HG CYS B 13 21.917 24.128 15.820 1.00 1.27 H new ATOM 1487 N GLN B 14 17.551 26.992 16.458 1.00 0.24 N ATOM 1488 CA GLN B 14 17.008 28.345 16.754 1.00 0.27 C ATOM 1489 C GLN B 14 17.161 28.623 18.248 1.00 0.24 C ATOM 1490 O GLN B 14 17.445 29.731 18.659 1.00 0.29 O ATOM 1491 CB GLN B 14 15.526 28.409 16.366 1.00 0.32 C ATOM 1492 CG GLN B 14 15.085 29.874 16.269 1.00 0.62 C ATOM 1493 CD GLN B 14 13.557 29.953 16.265 1.00 0.88 C ATOM 1494 OE1 GLN B 14 12.885 28.985 16.564 1.00 1.69 O ATOM 1495 NE2 GLN B 14 12.976 31.075 15.938 1.00 1.44 N ATOM 0 H GLN B 14 16.907 26.358 15.985 1.00 0.24 H new ATOM 0 HA GLN B 14 17.555 29.093 16.180 1.00 0.27 H new ATOM 0 HB2 GLN B 14 15.367 27.906 15.412 1.00 0.32 H new ATOM 0 HB3 GLN B 14 14.922 27.885 17.107 1.00 0.32 H new ATOM 0 HG2 GLN B 14 15.486 30.441 17.109 1.00 0.62 H new ATOM 0 HG3 GLN B 14 15.485 30.325 15.361 1.00 0.62 H new ATOM 0 HE21 GLN B 14 13.540 31.887 15.687 1.00 1.44 H new ATOM 0 HE22 GLN B 14 11.958 31.140 15.933 1.00 1.44 H new ATOM 1504 N LYS B 15 16.985 27.620 19.068 1.00 0.23 N ATOM 1505 CA LYS B 15 17.133 27.832 20.532 1.00 0.23 C ATOM 1506 C LYS B 15 18.620 28.030 20.849 1.00 0.20 C ATOM 1507 O LYS B 15 19.019 29.050 21.371 1.00 0.23 O ATOM 1508 CB LYS B 15 16.581 26.617 21.291 1.00 0.24 C ATOM 1509 CG LYS B 15 15.042 26.671 21.306 1.00 0.55 C ATOM 1510 CD LYS B 15 14.469 25.629 22.288 1.00 1.19 C ATOM 1511 CE LYS B 15 14.349 24.263 21.604 1.00 1.47 C ATOM 1512 NZ LYS B 15 14.295 23.193 22.640 1.00 2.21 N ATOM 0 H LYS B 15 16.746 26.669 18.786 1.00 0.23 H new ATOM 0 HA LYS B 15 16.573 28.714 20.843 1.00 0.23 H new ATOM 0 HB2 LYS B 15 16.918 25.695 20.816 1.00 0.24 H new ATOM 0 HB3 LYS B 15 16.964 26.608 22.311 1.00 0.24 H new ATOM 0 HG2 LYS B 15 14.711 27.669 21.593 1.00 0.55 H new ATOM 0 HG3 LYS B 15 14.657 26.484 20.304 1.00 0.55 H new ATOM 0 HD2 LYS B 15 15.115 25.550 23.163 1.00 1.19 H new ATOM 0 HD3 LYS B 15 13.491 25.953 22.643 1.00 1.19 H new ATOM 0 HE2 LYS B 15 13.452 24.231 20.986 1.00 1.47 H new ATOM 0 HE3 LYS B 15 15.199 24.100 20.941 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 14.350 22.262 22.180 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 15.095 23.304 23.295 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 13.402 23.266 23.168 1.00 2.21 H new ATOM 1526 N LEU B 16 19.451 27.075 20.517 1.00 0.18 N ATOM 1527 CA LEU B 16 20.910 27.235 20.779 1.00 0.17 C ATOM 1528 C LEU B 16 21.356 28.603 20.243 1.00 0.18 C ATOM 1529 O LEU B 16 22.349 29.159 20.665 1.00 0.23 O ATOM 1530 CB LEU B 16 21.670 26.097 20.050 1.00 0.15 C ATOM 1531 CG LEU B 16 22.831 25.564 20.912 1.00 0.15 C ATOM 1532 CD1 LEU B 16 22.291 24.607 21.975 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.824 24.811 20.021 1.00 0.18 C ATOM 0 H LEU B 16 19.182 26.195 20.077 1.00 0.18 H new ATOM 0 HA LEU B 16 21.122 27.182 21.847 1.00 0.17 H new ATOM 0 HB2 LEU B 16 20.981 25.284 19.820 1.00 0.15 H new ATOM 0 HB3 LEU B 16 22.057 26.465 19.100 1.00 0.15 H new ATOM 0 HG LEU B 16 23.330 26.403 21.397 1.00 0.15 H new ATOM 0 HD11 LEU B 16 23.116 24.233 22.581 1.00 0.25 H new ATOM 0 HD12 LEU B 16 21.582 25.134 22.613 1.00 0.25 H new ATOM 0 HD13 LEU B 16 21.789 23.770 21.490 1.00 0.25 H new ATOM 0 HD21 LEU B 16 24.646 24.434 20.630 1.00 0.18 H new ATOM 0 HD22 LEU B 16 23.318 23.976 19.537 1.00 0.18 H new ATOM 0 HD23 LEU B 16 24.216 25.487 19.261 1.00 0.18 H new ATOM 1545 N LEU B 17 20.624 29.133 19.302 1.00 0.17 N ATOM 1546 CA LEU B 17 20.985 30.451 18.711 1.00 0.19 C ATOM 1547 C LEU B 17 20.439 31.598 19.573 1.00 0.22 C ATOM 1548 O LEU B 17 21.153 32.517 19.922 1.00 0.30 O ATOM 1549 CB LEU B 17 20.384 30.533 17.300 1.00 0.19 C ATOM 1550 CG LEU B 17 21.121 31.598 16.463 1.00 0.22 C ATOM 1551 CD1 LEU B 17 22.381 30.993 15.829 1.00 0.14 C ATOM 1552 CD2 LEU B 17 20.201 32.103 15.345 1.00 0.33 C ATOM 0 H LEU B 17 19.783 28.705 18.914 1.00 0.17 H new ATOM 0 HA LEU B 17 22.070 30.544 18.667 1.00 0.19 H new ATOM 0 HB2 LEU B 17 20.456 29.562 16.810 1.00 0.19 H new ATOM 0 HB3 LEU B 17 19.324 30.780 17.363 1.00 0.19 H new ATOM 0 HG LEU B 17 21.402 32.423 17.118 1.00 0.22 H new ATOM 0 HD11 LEU B 17 22.893 31.754 15.240 1.00 0.14 H new ATOM 0 HD12 LEU B 17 23.046 30.633 16.614 1.00 0.14 H new ATOM 0 HD13 LEU B 17 22.100 30.162 15.182 1.00 0.14 H new ATOM 0 HD21 LEU B 17 20.724 32.855 14.755 1.00 0.33 H new ATOM 0 HD22 LEU B 17 19.919 31.270 14.702 1.00 0.33 H new ATOM 0 HD23 LEU B 17 19.305 32.543 15.782 1.00 0.33 H new ATOM 1564 N GLU B 18 19.175 31.565 19.897 1.00 0.20 N ATOM 1565 CA GLU B 18 18.583 32.668 20.708 1.00 0.24 C ATOM 1566 C GLU B 18 19.212 32.707 22.108 1.00 0.22 C ATOM 1567 O GLU B 18 19.549 33.760 22.613 1.00 0.26 O ATOM 1568 CB GLU B 18 17.058 32.474 20.802 1.00 0.30 C ATOM 1569 CG GLU B 18 16.700 31.482 21.917 1.00 1.05 C ATOM 1570 CD GLU B 18 15.250 31.020 21.747 1.00 1.67 C ATOM 1571 OE1 GLU B 18 14.904 30.612 20.651 1.00 2.17 O ATOM 1572 OE2 GLU B 18 14.512 31.083 22.716 1.00 2.29 O ATOM 0 H GLU B 18 18.527 30.822 19.635 1.00 0.20 H new ATOM 0 HA GLU B 18 18.791 33.621 20.221 1.00 0.24 H new ATOM 0 HB2 GLU B 18 16.577 33.433 20.994 1.00 0.30 H new ATOM 0 HB3 GLU B 18 16.674 32.110 19.849 1.00 0.30 H new ATOM 0 HG2 GLU B 18 17.372 30.624 21.884 1.00 1.05 H new ATOM 0 HG3 GLU B 18 16.831 31.952 22.892 1.00 1.05 H new ATOM 1579 N LYS B 19 19.374 31.577 22.743 1.00 0.19 N ATOM 1580 CA LYS B 19 19.975 31.573 24.096 1.00 0.20 C ATOM 1581 C LYS B 19 21.311 32.314 24.041 1.00 0.19 C ATOM 1582 O LYS B 19 21.560 33.225 24.804 1.00 0.26 O ATOM 1583 CB LYS B 19 20.184 30.116 24.531 1.00 0.21 C ATOM 1584 CG LYS B 19 18.912 29.584 25.202 1.00 0.29 C ATOM 1585 CD LYS B 19 19.073 28.090 25.484 1.00 0.33 C ATOM 1586 CE LYS B 19 17.910 27.604 26.352 1.00 0.95 C ATOM 1587 NZ LYS B 19 18.000 28.231 27.701 1.00 1.68 N ATOM 0 H LYS B 19 19.114 30.660 22.379 1.00 0.19 H new ATOM 0 HA LYS B 19 19.324 32.071 24.814 1.00 0.20 H new ATOM 0 HB2 LYS B 19 20.434 29.501 23.666 1.00 0.21 H new ATOM 0 HB3 LYS B 19 21.025 30.051 25.222 1.00 0.21 H new ATOM 0 HG2 LYS B 19 18.725 30.123 26.131 1.00 0.29 H new ATOM 0 HG3 LYS B 19 18.050 29.753 24.557 1.00 0.29 H new ATOM 0 HD2 LYS B 19 19.098 27.533 24.547 1.00 0.33 H new ATOM 0 HD3 LYS B 19 20.020 27.905 25.990 1.00 0.33 H new ATOM 0 HE2 LYS B 19 16.960 27.861 25.883 1.00 0.95 H new ATOM 0 HE3 LYS B 19 17.938 26.518 26.441 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 17.517 27.628 28.397 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 18.999 28.337 27.969 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 17.547 29.167 27.680 1.00 1.68 H new ATOM 1601 N PHE B 20 22.162 31.943 23.128 1.00 0.15 N ATOM 1602 CA PHE B 20 23.468 32.632 23.000 1.00 0.15 C ATOM 1603 C PHE B 20 23.261 33.885 22.149 1.00 0.16 C ATOM 1604 O PHE B 20 24.198 34.520 21.711 1.00 0.25 O ATOM 1605 CB PHE B 20 24.452 31.691 22.316 1.00 0.14 C ATOM 1606 CG PHE B 20 24.786 30.549 23.249 1.00 0.13 C ATOM 1607 CD1 PHE B 20 23.861 29.514 23.431 1.00 0.14 C ATOM 1608 CD2 PHE B 20 26.013 30.519 23.931 1.00 0.14 C ATOM 1609 CE1 PHE B 20 24.157 28.451 24.290 1.00 0.14 C ATOM 1610 CE2 PHE B 20 26.306 29.453 24.791 1.00 0.15 C ATOM 1611 CZ PHE B 20 25.379 28.420 24.969 1.00 0.14 C ATOM 0 H PHE B 20 22.005 31.187 22.462 1.00 0.15 H new ATOM 0 HA PHE B 20 23.862 32.911 23.977 1.00 0.15 H new ATOM 0 HB2 PHE B 20 24.021 31.306 21.392 1.00 0.14 H new ATOM 0 HB3 PHE B 20 25.359 32.231 22.044 1.00 0.14 H new ATOM 0 HD1 PHE B 20 22.917 29.537 22.907 1.00 0.14 H new ATOM 0 HD2 PHE B 20 26.729 31.316 23.793 1.00 0.14 H new ATOM 0 HE1 PHE B 20 23.442 27.654 24.429 1.00 0.14 H new ATOM 0 HE2 PHE B 20 27.249 29.428 25.317 1.00 0.15 H new ATOM 0 HZ PHE B 20 25.608 27.598 25.631 1.00 0.14 H new ATOM 1621 N ARG B 21 22.018 34.233 21.926 1.00 0.15 N ATOM 1622 CA ARG B 21 21.670 35.440 21.115 1.00 0.17 C ATOM 1623 C ARG B 21 22.633 35.614 19.936 1.00 0.14 C ATOM 1624 O ARG B 21 23.088 36.705 19.656 1.00 0.18 O ATOM 1625 CB ARG B 21 21.684 36.697 22.000 1.00 0.23 C ATOM 1626 CG ARG B 21 23.059 36.890 22.651 1.00 0.58 C ATOM 1627 CD ARG B 21 23.130 38.273 23.311 1.00 1.16 C ATOM 1628 NE ARG B 21 24.183 38.259 24.365 1.00 1.87 N ATOM 1629 CZ ARG B 21 24.610 39.380 24.879 1.00 2.62 C ATOM 1630 NH1 ARG B 21 24.115 40.517 24.472 1.00 2.94 N ATOM 1631 NH2 ARG B 21 25.532 39.363 25.802 1.00 3.56 N ATOM 0 H ARG B 21 21.212 33.719 22.281 1.00 0.15 H new ATOM 0 HA ARG B 21 20.667 35.297 20.713 1.00 0.17 H new ATOM 0 HB2 ARG B 21 21.435 37.572 21.400 1.00 0.23 H new ATOM 0 HB3 ARG B 21 20.920 36.612 22.772 1.00 0.23 H new ATOM 0 HG2 ARG B 21 23.232 36.112 23.395 1.00 0.58 H new ATOM 0 HG3 ARG B 21 23.844 36.794 21.901 1.00 0.58 H new ATOM 0 HD2 ARG B 21 23.356 39.034 22.564 1.00 1.16 H new ATOM 0 HD3 ARG B 21 22.165 38.531 23.747 1.00 1.16 H new ATOM 0 HE ARG B 21 24.571 37.372 24.685 1.00 1.87 H new ATOM 0 HH11 ARG B 21 23.393 40.530 23.751 1.00 2.94 H new ATOM 0 HH12 ARG B 21 24.450 41.392 24.875 1.00 2.94 H new ATOM 0 HH21 ARG B 21 25.918 38.474 26.121 1.00 3.56 H new ATOM 0 HH22 ARG B 21 25.867 40.238 26.205 1.00 3.56 H new ATOM 1645 N TYR B 22 22.940 34.557 19.229 1.00 0.14 N ATOM 1646 CA TYR B 22 23.860 34.691 18.060 1.00 0.13 C ATOM 1647 C TYR B 22 23.043 35.206 16.848 1.00 0.15 C ATOM 1648 O TYR B 22 21.856 34.958 16.780 1.00 0.16 O ATOM 1649 CB TYR B 22 24.448 33.311 17.710 1.00 0.12 C ATOM 1650 CG TYR B 22 25.682 32.992 18.550 1.00 0.13 C ATOM 1651 CD1 TYR B 22 26.793 33.860 18.573 1.00 0.14 C ATOM 1652 CD2 TYR B 22 25.718 31.806 19.299 1.00 0.14 C ATOM 1653 CE1 TYR B 22 27.918 33.537 19.342 1.00 0.17 C ATOM 1654 CE2 TYR B 22 26.845 31.489 20.065 1.00 0.17 C ATOM 1655 CZ TYR B 22 27.944 32.354 20.087 1.00 0.18 C ATOM 1656 OH TYR B 22 29.055 32.039 20.842 1.00 0.21 O ATOM 0 H TYR B 22 22.596 33.614 19.409 1.00 0.14 H new ATOM 0 HA TYR B 22 24.667 35.383 18.300 1.00 0.13 H new ATOM 0 HB2 TYR B 22 23.691 32.543 17.869 1.00 0.12 H new ATOM 0 HB3 TYR B 22 24.711 33.285 16.653 1.00 0.12 H new ATOM 0 HD1 TYR B 22 26.776 34.774 17.998 1.00 0.14 H new ATOM 0 HD2 TYR B 22 24.872 31.135 19.284 1.00 0.14 H new ATOM 0 HE1 TYR B 22 28.768 34.203 19.360 1.00 0.17 H new ATOM 0 HE2 TYR B 22 26.866 30.575 20.640 1.00 0.17 H new ATOM 0 HH TYR B 22 28.821 32.061 21.793 1.00 0.21 H new ATOM 1666 N PRO B 23 23.688 35.882 15.909 1.00 0.16 N ATOM 1667 CA PRO B 23 22.992 36.381 14.705 1.00 0.18 C ATOM 1668 C PRO B 23 22.457 35.195 13.881 1.00 0.19 C ATOM 1669 O PRO B 23 22.657 34.046 14.222 1.00 0.19 O ATOM 1670 CB PRO B 23 24.061 37.174 13.921 1.00 0.19 C ATOM 1671 CG PRO B 23 25.421 36.943 14.634 1.00 0.17 C ATOM 1672 CD PRO B 23 25.128 36.210 15.962 1.00 0.15 C ATOM 0 HA PRO B 23 22.133 37.007 14.945 1.00 0.18 H new ATOM 0 HB2 PRO B 23 24.108 36.837 12.886 1.00 0.19 H new ATOM 0 HB3 PRO B 23 23.814 38.235 13.900 1.00 0.19 H new ATOM 0 HG2 PRO B 23 26.087 36.350 14.007 1.00 0.17 H new ATOM 0 HG3 PRO B 23 25.922 37.893 14.822 1.00 0.17 H new ATOM 0 HD2 PRO B 23 25.735 35.309 16.058 1.00 0.15 H new ATOM 0 HD3 PRO B 23 25.357 36.842 16.820 1.00 0.15 H new ATOM 1680 N TRP B 24 21.762 35.476 12.812 1.00 0.22 N ATOM 1681 CA TRP B 24 21.184 34.384 11.967 1.00 0.24 C ATOM 1682 C TRP B 24 22.238 33.770 11.027 1.00 0.25 C ATOM 1683 O TRP B 24 22.014 32.723 10.453 1.00 0.34 O ATOM 1684 CB TRP B 24 20.034 34.962 11.132 1.00 0.28 C ATOM 1685 CG TRP B 24 19.542 33.935 10.159 1.00 0.53 C ATOM 1686 CD1 TRP B 24 19.802 33.938 8.831 1.00 1.45 C ATOM 1687 CD2 TRP B 24 18.718 32.760 10.412 1.00 0.35 C ATOM 1688 NE1 TRP B 24 19.188 32.842 8.253 1.00 1.68 N ATOM 1689 CE2 TRP B 24 18.507 32.086 9.185 1.00 0.93 C ATOM 1690 CE3 TRP B 24 18.137 32.221 11.573 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 17.749 30.917 9.114 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 17.372 31.044 11.505 1.00 1.15 C ATOM 1693 CH2 TRP B 24 17.179 30.394 10.277 1.00 0.63 C ATOM 0 H TRP B 24 21.567 36.422 12.483 1.00 0.22 H new ATOM 0 HA TRP B 24 20.825 33.594 12.626 1.00 0.24 H new ATOM 0 HB2 TRP B 24 19.220 35.275 11.786 1.00 0.28 H new ATOM 0 HB3 TRP B 24 20.372 35.849 10.597 1.00 0.28 H new ATOM 0 HD1 TRP B 24 20.392 34.676 8.308 1.00 1.45 H new ATOM 0 HE1 TRP B 24 19.233 32.619 7.259 1.00 1.68 H new ATOM 0 HE3 TRP B 24 18.279 32.714 12.523 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 17.604 30.420 8.166 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 16.930 30.638 12.403 1.00 1.15 H new ATOM 0 HH2 TRP B 24 16.590 29.490 10.231 1.00 0.63 H new ATOM 1704 N GLU B 25 23.365 34.402 10.835 1.00 0.21 N ATOM 1705 CA GLU B 25 24.380 33.820 9.897 1.00 0.24 C ATOM 1706 C GLU B 25 25.156 32.676 10.571 1.00 0.21 C ATOM 1707 O GLU B 25 25.844 31.922 9.911 1.00 0.24 O ATOM 1708 CB GLU B 25 25.354 34.915 9.420 1.00 0.31 C ATOM 1709 CG GLU B 25 25.421 36.034 10.452 1.00 1.20 C ATOM 1710 CD GLU B 25 24.196 36.944 10.312 1.00 1.43 C ATOM 1711 OE1 GLU B 25 23.247 36.531 9.667 1.00 1.86 O ATOM 1712 OE2 GLU B 25 24.231 38.038 10.851 1.00 1.99 O ATOM 0 H GLU B 25 23.628 35.283 11.277 1.00 0.21 H new ATOM 0 HA GLU B 25 23.854 33.414 9.033 1.00 0.24 H new ATOM 0 HB2 GLU B 25 26.346 34.490 9.267 1.00 0.31 H new ATOM 0 HB3 GLU B 25 25.026 35.313 8.460 1.00 0.31 H new ATOM 0 HG2 GLU B 25 25.459 35.613 11.457 1.00 1.20 H new ATOM 0 HG3 GLU B 25 26.334 36.614 10.314 1.00 1.20 H new ATOM 1719 N LEU B 26 25.066 32.534 11.869 1.00 0.16 N ATOM 1720 CA LEU B 26 25.820 31.432 12.551 1.00 0.15 C ATOM 1721 C LEU B 26 24.943 30.187 12.686 1.00 0.15 C ATOM 1722 O LEU B 26 25.118 29.396 13.592 1.00 0.19 O ATOM 1723 CB LEU B 26 26.254 31.885 13.946 1.00 0.13 C ATOM 1724 CG LEU B 26 26.871 33.284 13.882 1.00 0.13 C ATOM 1725 CD1 LEU B 26 27.562 33.581 15.214 1.00 0.14 C ATOM 1726 CD2 LEU B 26 27.901 33.357 12.745 1.00 0.14 C ATOM 0 H LEU B 26 24.509 33.127 12.484 1.00 0.16 H new ATOM 0 HA LEU B 26 26.696 31.192 11.948 1.00 0.15 H new ATOM 0 HB2 LEU B 26 25.396 31.889 14.618 1.00 0.13 H new ATOM 0 HB3 LEU B 26 26.977 31.180 14.356 1.00 0.13 H new ATOM 0 HG LEU B 26 26.087 34.017 13.694 1.00 0.13 H new ATOM 0 HD11 LEU B 26 28.006 34.576 15.180 1.00 0.14 H new ATOM 0 HD12 LEU B 26 26.831 33.537 16.021 1.00 0.14 H new ATOM 0 HD13 LEU B 26 28.343 32.842 15.392 1.00 0.14 H new ATOM 0 HD21 LEU B 26 28.333 34.357 12.709 1.00 0.14 H new ATOM 0 HD22 LEU B 26 28.690 32.627 12.922 1.00 0.14 H new ATOM 0 HD23 LEU B 26 27.411 33.139 11.796 1.00 0.14 H new ATOM 1738 N MET B 27 24.008 29.994 11.800 1.00 0.15 N ATOM 1739 CA MET B 27 23.146 28.792 11.899 1.00 0.17 C ATOM 1740 C MET B 27 23.944 27.514 11.529 1.00 0.14 C ATOM 1741 O MET B 27 23.756 26.497 12.167 1.00 0.19 O ATOM 1742 CB MET B 27 21.909 28.963 10.988 1.00 0.20 C ATOM 1743 CG MET B 27 20.757 29.594 11.780 1.00 0.39 C ATOM 1744 SD MET B 27 20.125 28.399 12.981 1.00 1.31 S ATOM 1745 CE MET B 27 18.958 27.571 11.876 1.00 0.45 C ATOM 0 H MET B 27 23.806 30.615 11.016 1.00 0.15 H new ATOM 0 HA MET B 27 22.806 28.680 12.928 1.00 0.17 H new ATOM 0 HB2 MET B 27 22.161 29.591 10.133 1.00 0.20 H new ATOM 0 HB3 MET B 27 21.602 27.995 10.592 1.00 0.20 H new ATOM 0 HG2 MET B 27 21.103 30.492 12.292 1.00 0.39 H new ATOM 0 HG3 MET B 27 19.960 29.900 11.102 1.00 0.39 H new ATOM 0 HE1 MET B 27 18.861 26.525 12.167 1.00 0.45 H new ATOM 0 HE2 MET B 27 17.985 28.058 11.943 1.00 0.45 H new ATOM 0 HE3 MET B 27 19.324 27.630 10.851 1.00 0.45 H new ATOM 1755 N PRO B 28 24.814 27.570 10.528 1.00 0.09 N ATOM 1756 CA PRO B 28 25.606 26.381 10.137 1.00 0.09 C ATOM 1757 C PRO B 28 26.424 25.857 11.324 1.00 0.09 C ATOM 1758 O PRO B 28 26.733 24.687 11.402 1.00 0.14 O ATOM 1759 CB PRO B 28 26.517 26.875 8.992 1.00 0.10 C ATOM 1760 CG PRO B 28 25.961 28.252 8.548 1.00 0.12 C ATOM 1761 CD PRO B 28 25.085 28.771 9.703 1.00 0.12 C ATOM 0 HA PRO B 28 24.978 25.548 9.821 1.00 0.09 H new ATOM 0 HB2 PRO B 28 27.550 26.964 9.329 1.00 0.10 H new ATOM 0 HB3 PRO B 28 26.513 26.169 8.161 1.00 0.10 H new ATOM 0 HG2 PRO B 28 26.774 28.947 8.337 1.00 0.12 H new ATOM 0 HG3 PRO B 28 25.377 28.156 7.633 1.00 0.12 H new ATOM 0 HD2 PRO B 28 25.600 29.540 10.278 1.00 0.12 H new ATOM 0 HD3 PRO B 28 24.161 29.215 9.333 1.00 0.12 H new ATOM 1769 N LEU B 29 26.777 26.703 12.250 1.00 0.10 N ATOM 1770 CA LEU B 29 27.566 26.224 13.419 1.00 0.09 C ATOM 1771 C LEU B 29 26.617 25.551 14.408 1.00 0.10 C ATOM 1772 O LEU B 29 26.869 24.460 14.879 1.00 0.16 O ATOM 1773 CB LEU B 29 28.273 27.405 14.082 1.00 0.08 C ATOM 1774 CG LEU B 29 28.971 28.240 13.006 1.00 0.09 C ATOM 1775 CD1 LEU B 29 29.754 29.373 13.672 1.00 0.12 C ATOM 1776 CD2 LEU B 29 29.928 27.346 12.201 1.00 0.09 C ATOM 0 H LEU B 29 26.556 27.699 12.249 1.00 0.10 H new ATOM 0 HA LEU B 29 28.320 25.508 13.094 1.00 0.09 H new ATOM 0 HB2 LEU B 29 27.553 28.017 14.625 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.000 27.047 14.811 1.00 0.08 H new ATOM 0 HG LEU B 29 28.227 28.664 12.332 1.00 0.09 H new ATOM 0 HD11 LEU B 29 30.252 29.969 12.908 1.00 0.12 H new ATOM 0 HD12 LEU B 29 29.069 30.006 14.237 1.00 0.12 H new ATOM 0 HD13 LEU B 29 30.499 28.952 14.347 1.00 0.12 H new ATOM 0 HD21 LEU B 29 30.425 27.942 11.435 1.00 0.09 H new ATOM 0 HD22 LEU B 29 30.675 26.919 12.869 1.00 0.09 H new ATOM 0 HD23 LEU B 29 29.364 26.543 11.727 1.00 0.09 H new ATOM 1788 N MET B 30 25.511 26.177 14.709 1.00 0.10 N ATOM 1789 CA MET B 30 24.543 25.548 15.642 1.00 0.12 C ATOM 1790 C MET B 30 24.084 24.225 15.026 1.00 0.10 C ATOM 1791 O MET B 30 23.612 23.335 15.705 1.00 0.13 O ATOM 1792 CB MET B 30 23.338 26.476 15.826 1.00 0.16 C ATOM 1793 CG MET B 30 23.698 27.602 16.795 1.00 0.19 C ATOM 1794 SD MET B 30 25.157 28.484 16.182 1.00 1.23 S ATOM 1795 CE MET B 30 26.012 28.672 17.767 1.00 0.22 C ATOM 0 H MET B 30 25.240 27.092 14.349 1.00 0.10 H new ATOM 0 HA MET B 30 25.006 25.372 16.613 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.038 26.893 14.865 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.487 25.912 16.209 1.00 0.16 H new ATOM 0 HG2 MET B 30 22.859 28.291 16.896 1.00 0.19 H new ATOM 0 HG3 MET B 30 23.897 27.194 17.786 1.00 0.19 H new ATOM 0 HE1 MET B 30 26.814 29.403 17.663 1.00 0.22 H new ATOM 0 HE2 MET B 30 25.305 29.014 18.523 1.00 0.22 H new ATOM 0 HE3 MET B 30 26.432 27.713 18.070 1.00 0.22 H new ATOM 1805 N TYR B 31 24.228 24.099 13.732 1.00 0.08 N ATOM 1806 CA TYR B 31 23.813 22.846 13.041 1.00 0.08 C ATOM 1807 C TYR B 31 24.814 21.733 13.365 1.00 0.08 C ATOM 1808 O TYR B 31 24.442 20.655 13.786 1.00 0.09 O ATOM 1809 CB TYR B 31 23.783 23.097 11.528 1.00 0.09 C ATOM 1810 CG TYR B 31 23.587 21.797 10.781 1.00 0.09 C ATOM 1811 CD1 TYR B 31 22.296 21.316 10.537 1.00 0.10 C ATOM 1812 CD2 TYR B 31 24.700 21.082 10.322 1.00 0.10 C ATOM 1813 CE1 TYR B 31 22.117 20.117 9.835 1.00 0.11 C ATOM 1814 CE2 TYR B 31 24.522 19.885 9.619 1.00 0.11 C ATOM 1815 CZ TYR B 31 23.230 19.402 9.376 1.00 0.11 C ATOM 1816 OH TYR B 31 23.054 18.221 8.682 1.00 0.13 O ATOM 0 H TYR B 31 24.618 24.817 13.122 1.00 0.08 H new ATOM 0 HA TYR B 31 22.822 22.544 13.379 1.00 0.08 H new ATOM 0 HB2 TYR B 31 22.977 23.789 11.284 1.00 0.09 H new ATOM 0 HB3 TYR B 31 24.714 23.568 11.213 1.00 0.09 H new ATOM 0 HD1 TYR B 31 21.438 21.869 10.890 1.00 0.10 H new ATOM 0 HD2 TYR B 31 25.696 21.454 10.511 1.00 0.10 H new ATOM 0 HE1 TYR B 31 21.121 19.744 9.648 1.00 0.11 H new ATOM 0 HE2 TYR B 31 25.380 19.334 9.264 1.00 0.11 H new ATOM 0 HH TYR B 31 23.928 17.853 8.435 1.00 0.13 H new ATOM 1826 N VAL B 32 26.082 21.984 13.177 1.00 0.08 N ATOM 1827 CA VAL B 32 27.100 20.938 13.480 1.00 0.08 C ATOM 1828 C VAL B 32 27.066 20.625 14.979 1.00 0.08 C ATOM 1829 O VAL B 32 26.965 19.484 15.382 1.00 0.10 O ATOM 1830 CB VAL B 32 28.493 21.441 13.076 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.530 20.348 13.353 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.495 21.776 11.578 1.00 0.08 C ATOM 0 H VAL B 32 26.456 22.866 12.827 1.00 0.08 H new ATOM 0 HA VAL B 32 26.878 20.031 12.917 1.00 0.08 H new ATOM 0 HB VAL B 32 28.741 22.332 13.652 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.519 20.704 13.066 1.00 0.08 H new ATOM 0 HG12 VAL B 32 29.526 20.103 14.415 1.00 0.08 H new ATOM 0 HG13 VAL B 32 29.283 19.458 12.775 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.482 22.134 11.286 1.00 0.08 H new ATOM 0 HG22 VAL B 32 28.249 20.882 11.005 1.00 0.08 H new ATOM 0 HG23 VAL B 32 27.755 22.551 11.377 1.00 0.08 H new ATOM 1842 N ILE B 33 27.143 21.626 15.811 1.00 0.08 N ATOM 1843 CA ILE B 33 27.108 21.380 17.280 1.00 0.08 C ATOM 1844 C ILE B 33 25.948 20.419 17.619 1.00 0.09 C ATOM 1845 O ILE B 33 26.160 19.369 18.193 1.00 0.10 O ATOM 1846 CB ILE B 33 26.959 22.731 17.994 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.288 23.492 17.864 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.634 22.520 19.475 1.00 0.09 C ATOM 1849 CD1 ILE B 33 28.148 24.929 18.377 1.00 0.08 C ATOM 0 H ILE B 33 27.229 22.605 15.537 1.00 0.08 H new ATOM 0 HA ILE B 33 28.031 20.907 17.617 1.00 0.08 H new ATOM 0 HB ILE B 33 26.146 23.298 17.541 1.00 0.08 H new ATOM 0 HG12 ILE B 33 29.064 22.975 18.427 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.605 23.503 16.821 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.532 23.488 19.966 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.700 21.966 19.567 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.439 21.956 19.947 1.00 0.09 H new ATOM 0 HD11 ILE B 33 29.102 25.447 18.274 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.388 25.450 17.795 1.00 0.08 H new ATOM 0 HD13 ILE B 33 27.855 24.914 19.427 1.00 0.08 H new ATOM 1861 N LEU B 34 24.732 20.747 17.254 1.00 0.08 N ATOM 1862 CA LEU B 34 23.580 19.827 17.540 1.00 0.09 C ATOM 1863 C LEU B 34 23.838 18.464 16.865 1.00 0.12 C ATOM 1864 O LEU B 34 23.285 17.457 17.260 1.00 0.16 O ATOM 1865 CB LEU B 34 22.285 20.478 16.962 1.00 0.10 C ATOM 1866 CG LEU B 34 21.288 21.040 18.041 1.00 0.10 C ATOM 1867 CD1 LEU B 34 21.959 21.398 19.380 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.620 22.300 17.480 1.00 0.11 C ATOM 0 H LEU B 34 24.485 21.611 16.771 1.00 0.08 H new ATOM 0 HA LEU B 34 23.468 19.670 18.613 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.571 21.291 16.295 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.763 19.737 16.357 1.00 0.10 H new ATOM 0 HG LEU B 34 20.568 20.248 18.248 1.00 0.10 H new ATOM 0 HD11 LEU B 34 21.208 21.779 20.073 1.00 0.10 H new ATOM 0 HD12 LEU B 34 22.425 20.508 19.803 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.719 22.161 19.213 1.00 0.10 H new ATOM 0 HD21 LEU B 34 19.925 22.702 18.217 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.382 23.046 17.255 1.00 0.11 H new ATOM 0 HD23 LEU B 34 20.077 22.049 16.569 1.00 0.11 H new ATOM 1880 N LYS B 35 24.661 18.421 15.852 1.00 0.13 N ATOM 1881 CA LYS B 35 24.927 17.119 15.167 1.00 0.17 C ATOM 1882 C LYS B 35 25.740 16.196 16.083 1.00 0.19 C ATOM 1883 O LYS B 35 25.527 15.001 16.116 1.00 0.28 O ATOM 1884 CB LYS B 35 25.703 17.375 13.868 1.00 0.16 C ATOM 1885 CG LYS B 35 25.586 16.158 12.945 1.00 0.19 C ATOM 1886 CD LYS B 35 26.554 16.315 11.771 1.00 0.26 C ATOM 1887 CE LYS B 35 26.251 15.255 10.710 1.00 0.70 C ATOM 1888 NZ LYS B 35 26.105 13.924 11.364 1.00 1.58 N ATOM 0 H LYS B 35 25.159 19.225 15.469 1.00 0.13 H new ATOM 0 HA LYS B 35 23.977 16.637 14.936 1.00 0.17 H new ATOM 0 HB2 LYS B 35 25.311 18.261 13.368 1.00 0.16 H new ATOM 0 HB3 LYS B 35 26.751 17.573 14.093 1.00 0.16 H new ATOM 0 HG2 LYS B 35 25.812 15.246 13.497 1.00 0.19 H new ATOM 0 HG3 LYS B 35 24.564 16.063 12.578 1.00 0.19 H new ATOM 0 HD2 LYS B 35 26.461 17.312 11.340 1.00 0.26 H new ATOM 0 HD3 LYS B 35 27.582 16.213 12.118 1.00 0.26 H new ATOM 0 HE2 LYS B 35 25.336 15.512 10.175 1.00 0.70 H new ATOM 0 HE3 LYS B 35 27.053 15.224 9.973 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 26.187 13.174 10.648 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 26.852 13.804 12.078 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 25.174 13.863 11.823 1.00 1.58 H new ATOM 1902 N ASP B 36 26.673 16.735 16.820 1.00 0.23 N ATOM 1903 CA ASP B 36 27.502 15.881 17.726 1.00 0.28 C ATOM 1904 C ASP B 36 26.800 15.714 19.074 1.00 0.26 C ATOM 1905 O ASP B 36 26.890 14.682 19.711 1.00 0.39 O ATOM 1906 CB ASP B 36 28.864 16.550 17.939 1.00 0.34 C ATOM 1907 CG ASP B 36 29.293 17.235 16.644 1.00 1.23 C ATOM 1908 OD1 ASP B 36 29.106 16.643 15.594 1.00 1.96 O ATOM 1909 OD2 ASP B 36 29.802 18.341 16.722 1.00 1.92 O ATOM 0 H ASP B 36 26.899 17.730 16.836 1.00 0.23 H new ATOM 0 HA ASP B 36 27.638 14.899 17.272 1.00 0.28 H new ATOM 0 HB2 ASP B 36 28.802 17.279 18.747 1.00 0.34 H new ATOM 0 HB3 ASP B 36 29.605 15.808 18.235 1.00 0.34 H new ATOM 1914 N ALA B 37 26.116 16.726 19.518 1.00 0.21 N ATOM 1915 CA ALA B 37 25.422 16.641 20.829 1.00 0.21 C ATOM 1916 C ALA B 37 24.144 15.824 20.684 1.00 0.20 C ATOM 1917 O ALA B 37 23.194 16.014 21.418 1.00 0.24 O ATOM 1918 CB ALA B 37 25.057 18.049 21.289 1.00 0.22 C ATOM 0 H ALA B 37 26.007 17.613 19.027 1.00 0.21 H new ATOM 0 HA ALA B 37 26.079 16.164 21.556 1.00 0.21 H new ATOM 0 HB1 ALA B 37 24.547 17.997 22.251 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.964 18.645 21.391 1.00 0.22 H new ATOM 0 HB3 ALA B 37 24.399 18.513 20.554 1.00 0.22 H new ATOM 1924 N ASP B 38 24.094 14.929 19.741 1.00 0.20 N ATOM 1925 CA ASP B 38 22.852 14.133 19.567 1.00 0.21 C ATOM 1926 C ASP B 38 21.690 15.117 19.427 1.00 0.18 C ATOM 1927 O ASP B 38 20.549 14.811 19.714 1.00 0.21 O ATOM 1928 CB ASP B 38 22.652 13.241 20.803 1.00 0.28 C ATOM 1929 CG ASP B 38 21.812 12.014 20.434 1.00 1.00 C ATOM 1930 OD1 ASP B 38 22.348 11.125 19.793 1.00 1.59 O ATOM 1931 OD2 ASP B 38 20.648 11.986 20.799 1.00 1.86 O ATOM 0 H ASP B 38 24.850 14.716 19.090 1.00 0.20 H new ATOM 0 HA ASP B 38 22.909 13.496 18.685 1.00 0.21 H new ATOM 0 HB2 ASP B 38 23.619 12.925 21.194 1.00 0.28 H new ATOM 0 HB3 ASP B 38 22.158 13.806 21.593 1.00 0.28 H new ATOM 1936 N ALA B 39 22.001 16.311 19.006 1.00 0.14 N ATOM 1937 CA ALA B 39 20.968 17.363 18.854 1.00 0.14 C ATOM 1938 C ALA B 39 20.342 17.649 20.218 1.00 0.15 C ATOM 1939 O ALA B 39 19.315 18.289 20.321 1.00 0.18 O ATOM 1940 CB ALA B 39 19.894 16.914 17.868 1.00 0.16 C ATOM 0 H ALA B 39 22.946 16.603 18.757 1.00 0.14 H new ATOM 0 HA ALA B 39 21.431 18.270 18.466 1.00 0.14 H new ATOM 0 HB1 ALA B 39 19.143 17.697 17.767 1.00 0.16 H new ATOM 0 HB2 ALA B 39 20.350 16.721 16.897 1.00 0.16 H new ATOM 0 HB3 ALA B 39 19.421 16.003 18.235 1.00 0.16 H new ATOM 1946 N ASN B 40 20.964 17.185 21.270 1.00 0.15 N ATOM 1947 CA ASN B 40 20.418 17.436 22.634 1.00 0.18 C ATOM 1948 C ASN B 40 20.865 18.829 23.084 1.00 0.15 C ATOM 1949 O ASN B 40 21.971 19.020 23.551 1.00 0.15 O ATOM 1950 CB ASN B 40 20.951 16.364 23.603 1.00 0.23 C ATOM 1951 CG ASN B 40 19.939 16.122 24.730 1.00 0.91 C ATOM 1952 OD1 ASN B 40 19.912 16.932 25.752 1.00 1.90 O flip ATOM 1953 ND2 ASN B 40 19.166 15.187 24.677 1.00 1.32 N flip ATOM 0 H ASN B 40 21.827 16.643 21.242 1.00 0.15 H new ATOM 0 HA ASN B 40 19.329 17.386 22.625 1.00 0.18 H new ATOM 0 HB2 ASN B 40 21.136 15.435 23.064 1.00 0.23 H new ATOM 0 HB3 ASN B 40 21.905 16.684 24.023 1.00 0.23 H new ATOM 0 HD21 ASN B 40 19.186 14.553 23.878 1.00 1.32 H new ATOM 0 HD22 ASN B 40 18.496 15.036 25.431 1.00 1.32 H new ATOM 1960 N ILE B 41 20.019 19.803 22.927 1.00 0.15 N ATOM 1961 CA ILE B 41 20.388 21.189 23.320 1.00 0.15 C ATOM 1962 C ILE B 41 21.007 21.202 24.722 1.00 0.15 C ATOM 1963 O ILE B 41 22.008 21.851 24.953 1.00 0.14 O ATOM 1964 CB ILE B 41 19.132 22.069 23.258 1.00 0.19 C ATOM 1965 CG1 ILE B 41 18.820 22.334 21.774 1.00 0.21 C ATOM 1966 CG2 ILE B 41 19.370 23.394 24.015 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.521 23.123 21.627 1.00 0.24 C ATOM 0 H ILE B 41 19.081 19.699 22.541 1.00 0.15 H new ATOM 0 HA ILE B 41 21.135 21.584 22.632 1.00 0.15 H new ATOM 0 HB ILE B 41 18.288 21.568 23.733 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.641 22.888 21.318 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.739 21.387 21.240 1.00 0.21 H new ATOM 0 HG21 ILE B 41 18.472 24.009 23.963 1.00 0.21 H new ATOM 0 HG22 ILE B 41 19.604 23.180 25.058 1.00 0.21 H new ATOM 0 HG23 ILE B 41 20.203 23.929 23.559 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.320 23.299 20.570 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.699 22.555 22.063 1.00 0.24 H new ATOM 0 HD13 ILE B 41 17.615 24.079 22.143 1.00 0.24 H new ATOM 1979 N GLU B 42 20.439 20.498 25.656 1.00 0.17 N ATOM 1980 CA GLU B 42 21.024 20.490 27.023 1.00 0.17 C ATOM 1981 C GLU B 42 22.506 20.124 26.932 1.00 0.16 C ATOM 1982 O GLU B 42 23.342 20.720 27.576 1.00 0.18 O ATOM 1983 CB GLU B 42 20.295 19.465 27.894 1.00 0.20 C ATOM 1984 CG GLU B 42 18.792 19.755 27.879 1.00 0.30 C ATOM 1985 CD GLU B 42 18.044 18.601 28.548 1.00 1.03 C ATOM 1986 OE1 GLU B 42 17.763 17.629 27.866 1.00 1.65 O ATOM 1987 OE2 GLU B 42 17.765 18.709 29.730 1.00 1.78 O ATOM 0 H GLU B 42 19.600 19.931 25.535 1.00 0.17 H new ATOM 0 HA GLU B 42 20.916 21.478 27.471 1.00 0.17 H new ATOM 0 HB2 GLU B 42 20.485 18.458 27.524 1.00 0.20 H new ATOM 0 HB3 GLU B 42 20.673 19.506 28.915 1.00 0.20 H new ATOM 0 HG2 GLU B 42 18.586 20.688 28.403 1.00 0.30 H new ATOM 0 HG3 GLU B 42 18.445 19.881 26.853 1.00 0.30 H new ATOM 1994 N GLU B 43 22.835 19.147 26.134 1.00 0.16 N ATOM 1995 CA GLU B 43 24.264 18.739 26.001 1.00 0.16 C ATOM 1996 C GLU B 43 24.995 19.694 25.052 1.00 0.14 C ATOM 1997 O GLU B 43 26.147 20.016 25.257 1.00 0.20 O ATOM 1998 CB GLU B 43 24.338 17.312 25.452 1.00 0.18 C ATOM 1999 CG GLU B 43 25.752 16.757 25.653 1.00 0.30 C ATOM 2000 CD GLU B 43 25.947 16.372 27.121 1.00 1.21 C ATOM 2001 OE1 GLU B 43 25.022 15.824 27.697 1.00 1.89 O ATOM 2002 OE2 GLU B 43 27.018 16.633 27.645 1.00 1.96 O ATOM 0 H GLU B 43 22.177 18.612 25.567 1.00 0.16 H new ATOM 0 HA GLU B 43 24.740 18.778 26.981 1.00 0.16 H new ATOM 0 HB2 GLU B 43 23.612 16.678 25.960 1.00 0.18 H new ATOM 0 HB3 GLU B 43 24.081 17.305 24.393 1.00 0.18 H new ATOM 0 HG2 GLU B 43 25.907 15.887 25.015 1.00 0.30 H new ATOM 0 HG3 GLU B 43 26.491 17.503 25.360 1.00 0.30 H new ATOM 2009 N ALA B 44 24.342 20.145 24.013 1.00 0.12 N ATOM 2010 CA ALA B 44 25.015 21.074 23.054 1.00 0.12 C ATOM 2011 C ALA B 44 25.235 22.440 23.723 1.00 0.12 C ATOM 2012 O ALA B 44 26.271 23.053 23.577 1.00 0.14 O ATOM 2013 CB ALA B 44 24.136 21.231 21.794 1.00 0.13 C ATOM 0 H ALA B 44 23.375 19.912 23.786 1.00 0.12 H new ATOM 0 HA ALA B 44 25.984 20.666 22.766 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.623 21.908 21.092 1.00 0.13 H new ATOM 0 HB2 ALA B 44 23.998 20.258 21.323 1.00 0.13 H new ATOM 0 HB3 ALA B 44 23.165 21.638 22.076 1.00 0.13 H new ATOM 2019 N SER B 45 24.264 22.924 24.441 1.00 0.12 N ATOM 2020 CA SER B 45 24.417 24.253 25.102 1.00 0.16 C ATOM 2021 C SER B 45 25.464 24.168 26.215 1.00 0.15 C ATOM 2022 O SER B 45 26.042 25.160 26.611 1.00 0.16 O ATOM 2023 CB SER B 45 23.078 24.683 25.698 1.00 0.19 C ATOM 2024 OG SER B 45 23.306 25.649 26.717 1.00 0.82 O ATOM 0 H SER B 45 23.370 22.460 24.601 1.00 0.12 H new ATOM 0 HA SER B 45 24.741 24.983 24.361 1.00 0.16 H new ATOM 0 HB2 SER B 45 22.438 25.101 24.921 1.00 0.19 H new ATOM 0 HB3 SER B 45 22.556 23.819 26.110 1.00 0.19 H new ATOM 0 HG SER B 45 22.449 25.928 27.101 1.00 0.82 H new ATOM 2030 N ARG B 46 25.701 22.995 26.734 1.00 0.17 N ATOM 2031 CA ARG B 46 26.696 22.855 27.835 1.00 0.20 C ATOM 2032 C ARG B 46 28.126 22.869 27.273 1.00 0.17 C ATOM 2033 O ARG B 46 29.065 23.186 27.974 1.00 0.23 O ATOM 2034 CB ARG B 46 26.433 21.541 28.580 1.00 0.24 C ATOM 2035 CG ARG B 46 25.204 21.713 29.493 1.00 0.84 C ATOM 2036 CD ARG B 46 24.652 20.348 29.932 1.00 1.21 C ATOM 2037 NE ARG B 46 25.432 19.850 31.101 1.00 1.63 N ATOM 2038 CZ ARG B 46 24.964 18.875 31.831 1.00 2.08 C ATOM 2039 NH1 ARG B 46 23.812 18.336 31.539 1.00 2.50 N ATOM 2040 NH2 ARG B 46 25.648 18.438 32.853 1.00 2.80 N ATOM 0 H ARG B 46 25.249 22.128 26.444 1.00 0.17 H new ATOM 0 HA ARG B 46 26.594 23.694 28.523 1.00 0.20 H new ATOM 0 HB2 ARG B 46 26.262 20.734 27.868 1.00 0.24 H new ATOM 0 HB3 ARG B 46 27.305 21.264 29.172 1.00 0.24 H new ATOM 0 HG2 ARG B 46 25.477 22.299 30.371 1.00 0.84 H new ATOM 0 HG3 ARG B 46 24.430 22.271 28.966 1.00 0.84 H new ATOM 0 HD2 ARG B 46 23.598 20.438 30.196 1.00 1.21 H new ATOM 0 HD3 ARG B 46 24.715 19.636 29.109 1.00 1.21 H new ATOM 0 HE ARG B 46 26.332 20.272 31.330 1.00 1.63 H new ATOM 0 HH11 ARG B 46 23.277 18.677 30.740 1.00 2.50 H new ATOM 0 HH12 ARG B 46 23.446 17.574 32.110 1.00 2.50 H new ATOM 0 HH21 ARG B 46 26.549 18.859 33.081 1.00 2.80 H new ATOM 0 HH22 ARG B 46 25.282 17.676 33.423 1.00 2.80 H new ATOM 2054 N ARG B 47 28.307 22.545 26.016 1.00 0.13 N ATOM 2055 CA ARG B 47 29.691 22.567 25.436 1.00 0.12 C ATOM 2056 C ARG B 47 30.013 23.985 24.961 1.00 0.11 C ATOM 2057 O ARG B 47 31.115 24.465 25.134 1.00 0.12 O ATOM 2058 CB ARG B 47 29.840 21.553 24.280 1.00 0.15 C ATOM 2059 CG ARG B 47 28.567 21.470 23.444 1.00 0.32 C ATOM 2060 CD ARG B 47 28.699 20.327 22.428 1.00 0.54 C ATOM 2061 NE ARG B 47 28.428 19.024 23.097 1.00 0.95 N ATOM 2062 CZ ARG B 47 28.203 17.958 22.375 1.00 1.20 C ATOM 2063 NH1 ARG B 47 28.221 18.038 21.073 1.00 1.81 N ATOM 2064 NH2 ARG B 47 27.962 16.814 22.954 1.00 1.62 N ATOM 0 H ARG B 47 27.567 22.269 25.371 1.00 0.13 H new ATOM 0 HA ARG B 47 30.399 22.272 26.210 1.00 0.12 H new ATOM 0 HB2 ARG B 47 30.676 21.844 23.644 1.00 0.15 H new ATOM 0 HB3 ARG B 47 30.076 20.569 24.685 1.00 0.15 H new ATOM 0 HG2 ARG B 47 27.705 21.300 24.089 1.00 0.32 H new ATOM 0 HG3 ARG B 47 28.396 22.414 22.926 1.00 0.32 H new ATOM 0 HD2 ARG B 47 27.999 20.477 21.606 1.00 0.54 H new ATOM 0 HD3 ARG B 47 29.701 20.324 21.998 1.00 0.54 H new ATOM 0 HE ARG B 47 28.418 18.964 24.115 1.00 0.95 H new ATOM 0 HH11 ARG B 47 28.411 18.932 20.620 1.00 1.81 H new ATOM 0 HH12 ARG B 47 28.046 17.207 20.508 1.00 1.81 H new ATOM 0 HH21 ARG B 47 27.949 16.750 23.972 1.00 1.62 H new ATOM 0 HH22 ARG B 47 27.787 15.983 22.389 1.00 1.62 H new ATOM 2078 N ILE B 48 29.064 24.676 24.390 1.00 0.10 N ATOM 2079 CA ILE B 48 29.348 26.071 23.950 1.00 0.09 C ATOM 2080 C ILE B 48 29.812 26.872 25.163 1.00 0.10 C ATOM 2081 O ILE B 48 30.877 27.457 25.164 1.00 0.10 O ATOM 2082 CB ILE B 48 28.095 26.706 23.355 1.00 0.10 C ATOM 2083 CG1 ILE B 48 27.571 25.822 22.219 1.00 0.10 C ATOM 2084 CG2 ILE B 48 28.454 28.083 22.794 1.00 0.10 C ATOM 2085 CD1 ILE B 48 26.199 26.321 21.747 1.00 0.10 C ATOM 0 H ILE B 48 28.117 24.341 24.211 1.00 0.10 H new ATOM 0 HA ILE B 48 30.123 26.066 23.183 1.00 0.09 H new ATOM 0 HB ILE B 48 27.330 26.806 24.125 1.00 0.10 H new ATOM 0 HG12 ILE B 48 28.275 25.832 21.387 1.00 0.10 H new ATOM 0 HG13 ILE B 48 27.493 24.789 22.559 1.00 0.10 H new ATOM 0 HG21 ILE B 48 27.564 28.545 22.366 1.00 0.10 H new ATOM 0 HG22 ILE B 48 28.840 28.713 23.595 1.00 0.10 H new ATOM 0 HG23 ILE B 48 29.214 27.974 22.020 1.00 0.10 H new ATOM 0 HD11 ILE B 48 25.838 25.684 20.940 1.00 0.10 H new ATOM 0 HD12 ILE B 48 25.494 26.288 22.578 1.00 0.10 H new ATOM 0 HD13 ILE B 48 26.289 27.346 21.388 1.00 0.10 H new ATOM 2097 N GLU B 49 29.030 26.884 26.208 1.00 0.10 N ATOM 2098 CA GLU B 49 29.436 27.629 27.435 1.00 0.11 C ATOM 2099 C GLU B 49 30.866 27.249 27.795 1.00 0.11 C ATOM 2100 O GLU B 49 31.759 28.074 27.808 1.00 0.12 O ATOM 2101 CB GLU B 49 28.539 27.222 28.597 1.00 0.13 C ATOM 2102 CG GLU B 49 27.126 27.786 28.407 1.00 0.14 C ATOM 2103 CD GLU B 49 26.380 27.765 29.743 1.00 0.16 C ATOM 2104 OE1 GLU B 49 26.109 26.680 30.231 1.00 1.10 O ATOM 2105 OE2 GLU B 49 26.093 28.834 30.257 1.00 1.07 O ATOM 0 H GLU B 49 28.128 26.411 26.266 1.00 0.10 H new ATOM 0 HA GLU B 49 29.354 28.700 27.249 1.00 0.11 H new ATOM 0 HB2 GLU B 49 28.497 26.135 28.668 1.00 0.13 H new ATOM 0 HB3 GLU B 49 28.960 27.587 29.534 1.00 0.13 H new ATOM 0 HG2 GLU B 49 27.179 28.805 28.025 1.00 0.14 H new ATOM 0 HG3 GLU B 49 26.585 27.196 27.668 1.00 0.14 H new ATOM 2112 N GLU B 50 31.093 25.991 28.067 1.00 0.12 N ATOM 2113 CA GLU B 50 32.469 25.542 28.404 1.00 0.12 C ATOM 2114 C GLU B 50 33.396 26.068 27.322 1.00 0.11 C ATOM 2115 O GLU B 50 34.581 26.206 27.509 1.00 0.11 O ATOM 2116 CB GLU B 50 32.524 24.013 28.441 1.00 0.14 C ATOM 2117 CG GLU B 50 33.850 23.566 29.061 1.00 0.17 C ATOM 2118 CD GLU B 50 33.933 22.038 29.047 1.00 1.14 C ATOM 2119 OE1 GLU B 50 33.072 21.412 29.644 1.00 1.97 O ATOM 2120 OE2 GLU B 50 34.855 21.520 28.439 1.00 1.78 O ATOM 0 H GLU B 50 30.384 25.258 28.070 1.00 0.12 H new ATOM 0 HA GLU B 50 32.768 25.917 29.383 1.00 0.12 H new ATOM 0 HB2 GLU B 50 31.688 23.622 29.022 1.00 0.14 H new ATOM 0 HB3 GLU B 50 32.427 23.610 27.433 1.00 0.14 H new ATOM 0 HG2 GLU B 50 34.685 23.991 28.504 1.00 0.17 H new ATOM 0 HG3 GLU B 50 33.928 23.935 30.084 1.00 0.17 H new ATOM 2127 N GLY B 51 32.837 26.384 26.190 1.00 0.10 N ATOM 2128 CA GLY B 51 33.659 26.934 25.073 1.00 0.09 C ATOM 2129 C GLY B 51 33.834 28.435 25.303 1.00 0.09 C ATOM 2130 O GLY B 51 34.929 28.961 25.279 1.00 0.10 O ATOM 0 H GLY B 51 31.842 26.286 25.987 1.00 0.10 H new ATOM 0 HA2 GLY B 51 34.630 26.439 25.036 1.00 0.09 H new ATOM 0 HA3 GLY B 51 33.171 26.750 24.116 1.00 0.09 H new ATOM 2134 N GLN B 52 32.751 29.120 25.549 1.00 0.10 N ATOM 2135 CA GLN B 52 32.820 30.586 25.811 1.00 0.11 C ATOM 2136 C GLN B 52 33.837 30.825 26.914 1.00 0.11 C ATOM 2137 O GLN B 52 34.694 31.682 26.819 1.00 0.13 O ATOM 2138 CB GLN B 52 31.440 31.078 26.269 1.00 0.13 C ATOM 2139 CG GLN B 52 30.361 30.676 25.239 1.00 0.19 C ATOM 2140 CD GLN B 52 30.198 31.770 24.179 1.00 0.54 C ATOM 2141 OE1 GLN B 52 29.148 31.903 23.583 1.00 1.37 O ATOM 2142 NE2 GLN B 52 31.197 32.560 23.920 1.00 0.74 N ATOM 0 H GLN B 52 31.812 28.723 25.580 1.00 0.10 H new ATOM 0 HA GLN B 52 33.113 31.123 24.909 1.00 0.11 H new ATOM 0 HB2 GLN B 52 31.199 30.653 27.243 1.00 0.13 H new ATOM 0 HB3 GLN B 52 31.453 32.161 26.388 1.00 0.13 H new ATOM 0 HG2 GLN B 52 30.638 29.736 24.761 1.00 0.19 H new ATOM 0 HG3 GLN B 52 29.411 30.508 25.746 1.00 0.19 H new ATOM 0 HE21 GLN B 52 32.079 32.448 24.421 1.00 0.74 H new ATOM 0 HE22 GLN B 52 31.099 33.292 23.216 1.00 0.74 H new ATOM 2151 N TYR B 53 33.749 30.060 27.959 1.00 0.11 N ATOM 2152 CA TYR B 53 34.713 30.221 29.082 1.00 0.13 C ATOM 2153 C TYR B 53 36.139 29.969 28.562 1.00 0.13 C ATOM 2154 O TYR B 53 37.046 30.731 28.834 1.00 0.16 O ATOM 2155 CB TYR B 53 34.366 29.232 30.214 1.00 0.14 C ATOM 2156 CG TYR B 53 35.571 29.020 31.107 1.00 0.17 C ATOM 2157 CD1 TYR B 53 36.558 28.114 30.719 1.00 0.17 C ATOM 2158 CD2 TYR B 53 35.709 29.736 32.302 1.00 0.22 C ATOM 2159 CE1 TYR B 53 37.687 27.915 31.515 1.00 0.22 C ATOM 2160 CE2 TYR B 53 36.841 29.541 33.105 1.00 0.26 C ATOM 2161 CZ TYR B 53 37.832 28.630 32.710 1.00 0.25 C ATOM 2162 OH TYR B 53 38.947 28.437 33.499 1.00 0.30 O ATOM 0 H TYR B 53 33.051 29.328 28.087 1.00 0.11 H new ATOM 0 HA TYR B 53 34.653 31.234 29.480 1.00 0.13 H new ATOM 0 HB2 TYR B 53 33.532 29.617 30.801 1.00 0.14 H new ATOM 0 HB3 TYR B 53 34.045 28.280 29.790 1.00 0.14 H new ATOM 0 HD1 TYR B 53 36.448 27.563 29.797 1.00 0.17 H new ATOM 0 HD2 TYR B 53 34.945 30.437 32.604 1.00 0.22 H new ATOM 0 HE1 TYR B 53 38.447 27.211 31.210 1.00 0.22 H new ATOM 0 HE2 TYR B 53 36.950 30.092 34.028 1.00 0.26 H new ATOM 0 HH TYR B 53 38.891 29.012 34.291 1.00 0.30 H new ATOM 2172 N VAL B 54 36.350 28.908 27.826 1.00 0.11 N ATOM 2173 CA VAL B 54 37.726 28.632 27.313 1.00 0.12 C ATOM 2174 C VAL B 54 38.251 29.874 26.599 1.00 0.12 C ATOM 2175 O VAL B 54 39.206 30.494 27.023 1.00 0.13 O ATOM 2176 CB VAL B 54 37.711 27.459 26.315 1.00 0.11 C ATOM 2177 CG1 VAL B 54 39.124 27.289 25.742 1.00 0.13 C ATOM 2178 CG2 VAL B 54 37.270 26.140 27.006 1.00 0.12 C ATOM 0 H VAL B 54 35.638 28.228 27.560 1.00 0.11 H new ATOM 0 HA VAL B 54 38.366 28.373 28.156 1.00 0.12 H new ATOM 0 HB VAL B 54 36.997 27.678 25.521 1.00 0.11 H new ATOM 0 HG11 VAL B 54 39.132 26.462 25.032 1.00 0.13 H new ATOM 0 HG12 VAL B 54 39.423 28.206 25.234 1.00 0.13 H new ATOM 0 HG13 VAL B 54 39.822 27.079 26.552 1.00 0.13 H new ATOM 0 HG21 VAL B 54 37.269 25.330 26.277 1.00 0.12 H new ATOM 0 HG22 VAL B 54 37.964 25.902 27.812 1.00 0.12 H new ATOM 0 HG23 VAL B 54 36.267 26.261 27.415 1.00 0.12 H new ATOM 2188 N VAL B 55 37.632 30.237 25.514 1.00 0.11 N ATOM 2189 CA VAL B 55 38.085 31.433 24.760 1.00 0.11 C ATOM 2190 C VAL B 55 38.183 32.619 25.718 1.00 0.14 C ATOM 2191 O VAL B 55 39.219 33.238 25.853 1.00 0.17 O ATOM 2192 CB VAL B 55 37.073 31.736 23.648 1.00 0.11 C ATOM 2193 CG1 VAL B 55 37.607 32.854 22.744 1.00 0.13 C ATOM 2194 CG2 VAL B 55 36.845 30.464 22.819 1.00 0.10 C ATOM 0 H VAL B 55 36.827 29.753 25.115 1.00 0.11 H new ATOM 0 HA VAL B 55 39.063 31.250 24.315 1.00 0.11 H new ATOM 0 HB VAL B 55 36.132 32.061 24.091 1.00 0.11 H new ATOM 0 HG11 VAL B 55 36.882 33.063 21.957 1.00 0.13 H new ATOM 0 HG12 VAL B 55 37.769 33.755 23.336 1.00 0.13 H new ATOM 0 HG13 VAL B 55 38.549 32.540 22.295 1.00 0.13 H new ATOM 0 HG21 VAL B 55 36.126 30.671 22.026 1.00 0.10 H new ATOM 0 HG22 VAL B 55 37.789 30.142 22.379 1.00 0.10 H new ATOM 0 HG23 VAL B 55 36.457 29.675 23.463 1.00 0.10 H new ATOM 2204 N ASN B 56 37.112 32.938 26.387 1.00 0.16 N ATOM 2205 CA ASN B 56 37.143 34.083 27.341 1.00 0.20 C ATOM 2206 C ASN B 56 38.309 33.901 28.316 1.00 0.22 C ATOM 2207 O ASN B 56 39.070 34.815 28.565 1.00 0.31 O ATOM 2208 CB ASN B 56 35.829 34.132 28.122 1.00 0.26 C ATOM 2209 CG ASN B 56 35.798 35.390 28.990 1.00 0.52 C ATOM 2210 OD1 ASN B 56 36.820 36.199 28.975 1.00 1.35 O flip ATOM 2211 ND2 ASN B 56 34.835 35.639 29.688 1.00 0.91 N flip ATOM 0 H ASN B 56 36.216 32.456 26.316 1.00 0.16 H new ATOM 0 HA ASN B 56 37.272 35.014 26.788 1.00 0.20 H new ATOM 0 HB2 ASN B 56 34.984 34.132 27.433 1.00 0.26 H new ATOM 0 HB3 ASN B 56 35.732 33.244 28.747 1.00 0.26 H new ATOM 0 HD21 ASN B 56 34.036 35.005 29.699 1.00 0.91 H new ATOM 0 HD22 ASN B 56 34.826 36.482 30.263 1.00 0.91 H new