USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=19 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 -109:sc= -1.59! USER MOD Set 1.2: B 52 GLN : amide:sc= -4.18! C(o=-5.8!,f=-5.4!) USER MOD Set 2.1: A 31 TYR OH : rot 150:sc= 0.412 USER MOD Set 2.2: A 35 LYS NZ :NH3+ 143:sc= -0.0895 (180deg=-0.663) USER MOD Set 3.1: A 22 TYR OH : rot -43:sc= -2.29! USER MOD Set 3.2: A 52 GLN : amide:sc= -3.95! C(o=-6.2!,f=-4.5!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -58:sc= -0.539 USER MOD Single : A 14 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -149:sc= 0 (180deg=-0.00534) USER MOD Single : A 30 MET CE :methyl 174:sc= -0.0431 (180deg=-0.167) USER MOD Single : A 40 ASN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.181 USER MOD Single : A 56 ASN : amide:sc= -0.691 K(o=-0.69,f=-3.3!) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot 76:sc= -1.27 USER MOD Single : B 14 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -153:sc= -0.0874 (180deg=-0.7) USER MOD Single : B 27 MET CE :methyl -123:sc= -0.0237 (180deg=-1.67) USER MOD Single : B 30 MET CE :methyl -167:sc= -0.0252 (180deg=-0.733) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -114:sc= 0.00327 (180deg=0) USER MOD Single : B 40 ASN : amide:sc= -2.35! K(o=-2.4!,f=-0.078) 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 : amide:sc= -2.56! K(o=-2.6!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 44.741 22.281 21.438 1.00 0.27 N ATOM 107 CA PHE A 9 43.298 22.236 21.064 1.00 0.25 C ATOM 108 C PHE A 9 42.909 23.554 20.392 1.00 0.25 C ATOM 109 O PHE A 9 42.245 23.571 19.375 1.00 0.36 O ATOM 110 CB PHE A 9 42.459 22.027 22.332 1.00 0.23 C ATOM 111 CG PHE A 9 41.090 21.514 21.960 1.00 0.19 C ATOM 112 CD1 PHE A 9 40.880 20.140 21.801 1.00 0.19 C ATOM 113 CD2 PHE A 9 40.033 22.411 21.774 1.00 0.20 C ATOM 114 CE1 PHE A 9 39.612 19.663 21.454 1.00 0.19 C ATOM 115 CE2 PHE A 9 38.766 21.933 21.428 1.00 0.21 C ATOM 116 CZ PHE A 9 38.555 20.560 21.267 1.00 0.20 C ATOM 0 HA PHE A 9 43.117 21.415 20.371 1.00 0.25 H new ATOM 0 HB2 PHE A 9 42.955 21.318 22.995 1.00 0.23 H new ATOM 0 HB3 PHE A 9 42.369 22.966 22.879 1.00 0.23 H new ATOM 0 HD1 PHE A 9 41.697 19.448 21.946 1.00 0.19 H new ATOM 0 HD2 PHE A 9 40.196 23.472 21.898 1.00 0.20 H new ATOM 0 HE1 PHE A 9 39.449 18.603 21.330 1.00 0.19 H new ATOM 0 HE2 PHE A 9 37.949 22.625 21.285 1.00 0.21 H new ATOM 0 HZ PHE A 9 37.576 20.192 20.998 1.00 0.20 H new ATOM 126 N LEU A 10 43.329 24.657 20.944 1.00 0.21 N ATOM 127 CA LEU A 10 42.993 25.966 20.322 1.00 0.21 C ATOM 128 C LEU A 10 43.718 26.071 18.981 1.00 0.22 C ATOM 129 O LEU A 10 43.246 26.700 18.056 1.00 0.27 O ATOM 130 CB LEU A 10 43.442 27.104 21.237 1.00 0.24 C ATOM 131 CG LEU A 10 42.882 26.890 22.646 1.00 0.27 C ATOM 132 CD1 LEU A 10 43.460 27.956 23.572 1.00 0.31 C ATOM 133 CD2 LEU A 10 41.350 27.007 22.629 1.00 0.28 C ATOM 0 H LEU A 10 43.888 24.709 21.796 1.00 0.21 H new ATOM 0 HA LEU A 10 41.916 26.038 20.171 1.00 0.21 H new ATOM 0 HB2 LEU A 10 44.531 27.147 21.271 1.00 0.24 H new ATOM 0 HB3 LEU A 10 43.098 28.059 20.840 1.00 0.24 H new ATOM 0 HG LEU A 10 43.156 25.896 22.999 1.00 0.27 H new ATOM 0 HD11 LEU A 10 43.068 27.814 24.579 1.00 0.31 H new ATOM 0 HD12 LEU A 10 44.547 27.872 23.590 1.00 0.31 H new ATOM 0 HD13 LEU A 10 43.179 28.945 23.209 1.00 0.31 H new ATOM 0 HD21 LEU A 10 40.962 26.853 23.636 1.00 0.28 H new ATOM 0 HD22 LEU A 10 41.065 27.999 22.278 1.00 0.28 H new ATOM 0 HD23 LEU A 10 40.935 26.252 21.961 1.00 0.28 H new ATOM 145 N ASP A 11 44.860 25.448 18.864 1.00 0.21 N ATOM 146 CA ASP A 11 45.604 25.504 17.575 1.00 0.23 C ATOM 147 C ASP A 11 44.705 24.947 16.472 1.00 0.20 C ATOM 148 O ASP A 11 44.396 25.618 15.510 1.00 0.29 O ATOM 149 CB ASP A 11 46.882 24.664 17.676 1.00 0.27 C ATOM 150 CG ASP A 11 47.830 25.036 16.534 1.00 1.08 C ATOM 151 OD1 ASP A 11 47.447 24.858 15.389 1.00 1.92 O ATOM 152 OD2 ASP A 11 48.924 25.494 16.823 1.00 1.64 O ATOM 0 H ASP A 11 45.307 24.905 19.603 1.00 0.21 H new ATOM 0 HA ASP A 11 45.879 26.534 17.348 1.00 0.23 H new ATOM 0 HB2 ASP A 11 47.368 24.836 18.636 1.00 0.27 H new ATOM 0 HB3 ASP A 11 46.637 23.603 17.628 1.00 0.27 H new ATOM 157 N TYR A 12 44.271 23.723 16.611 1.00 0.14 N ATOM 158 CA TYR A 12 43.382 23.130 15.577 1.00 0.12 C ATOM 159 C TYR A 12 42.231 24.095 15.301 1.00 0.11 C ATOM 160 O TYR A 12 41.959 24.453 14.172 1.00 0.15 O ATOM 161 CB TYR A 12 42.822 21.797 16.091 1.00 0.12 C ATOM 162 CG TYR A 12 43.939 20.776 16.185 1.00 0.16 C ATOM 163 CD1 TYR A 12 44.619 20.374 15.030 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.294 20.231 17.427 1.00 0.20 C ATOM 165 CE1 TYR A 12 45.651 19.431 15.114 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.326 19.288 17.511 1.00 0.27 C ATOM 167 CZ TYR A 12 46.004 18.888 16.354 1.00 0.30 C ATOM 168 OH TYR A 12 47.021 17.959 16.436 1.00 0.37 O ATOM 0 H TYR A 12 44.495 23.111 17.396 1.00 0.14 H new ATOM 0 HA TYR A 12 43.944 22.955 14.660 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.362 21.938 17.069 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.042 21.436 15.420 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.347 20.792 14.072 1.00 0.22 H new ATOM 0 HD2 TYR A 12 43.771 20.539 18.320 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.175 19.123 14.221 1.00 0.28 H new ATOM 0 HE2 TYR A 12 45.599 18.870 18.469 1.00 0.27 H new ATOM 0 HH TYR A 12 47.139 17.685 17.369 1.00 0.37 H new ATOM 178 N CYS A 13 41.563 24.528 16.331 1.00 0.12 N ATOM 179 CA CYS A 13 40.437 25.482 16.152 1.00 0.15 C ATOM 180 C CYS A 13 40.888 26.620 15.239 1.00 0.16 C ATOM 181 O CYS A 13 40.171 27.045 14.356 1.00 0.19 O ATOM 182 CB CYS A 13 40.037 26.045 17.515 1.00 0.19 C ATOM 183 SG CYS A 13 39.211 24.757 18.479 1.00 1.38 S ATOM 0 H CYS A 13 41.751 24.259 17.297 1.00 0.12 H new ATOM 0 HA CYS A 13 39.583 24.973 15.705 1.00 0.15 H new ATOM 0 HB2 CYS A 13 40.919 26.403 18.046 1.00 0.19 H new ATOM 0 HB3 CYS A 13 39.374 26.900 17.387 1.00 0.19 H new ATOM 0 HG CYS A 13 38.169 24.329 17.829 1.00 1.38 H new ATOM 189 N GLN A 14 42.081 27.107 15.439 1.00 0.17 N ATOM 190 CA GLN A 14 42.589 28.204 14.578 1.00 0.21 C ATOM 191 C GLN A 14 42.428 27.792 13.114 1.00 0.21 C ATOM 192 O GLN A 14 41.756 28.445 12.344 1.00 0.28 O ATOM 193 CB GLN A 14 44.069 28.443 14.893 1.00 0.25 C ATOM 194 CG GLN A 14 44.498 29.810 14.367 1.00 0.64 C ATOM 195 CD GLN A 14 43.850 30.911 15.208 1.00 0.78 C ATOM 196 OE1 GLN A 14 44.088 31.003 16.396 1.00 1.68 O ATOM 197 NE2 GLN A 14 43.036 31.757 14.638 1.00 1.31 N ATOM 0 H GLN A 14 42.725 26.790 16.164 1.00 0.17 H new ATOM 0 HA GLN A 14 42.031 29.122 14.763 1.00 0.21 H new ATOM 0 HB2 GLN A 14 44.234 28.390 15.969 1.00 0.25 H new ATOM 0 HB3 GLN A 14 44.677 27.661 14.438 1.00 0.25 H new ATOM 0 HG2 GLN A 14 45.584 29.901 14.405 1.00 0.64 H new ATOM 0 HG3 GLN A 14 44.206 29.917 13.322 1.00 0.64 H new ATOM 0 HE21 GLN A 14 42.836 31.680 13.641 1.00 1.31 H new ATOM 0 HE22 GLN A 14 42.600 32.496 15.190 1.00 1.31 H new ATOM 206 N LYS A 15 43.029 26.702 12.726 1.00 0.20 N ATOM 207 CA LYS A 15 42.897 26.247 11.315 1.00 0.22 C ATOM 208 C LYS A 15 41.412 26.216 10.937 1.00 0.19 C ATOM 209 O LYS A 15 40.989 26.854 9.994 1.00 0.22 O ATOM 210 CB LYS A 15 43.508 24.849 11.176 1.00 0.25 C ATOM 211 CG LYS A 15 45.038 24.952 11.283 1.00 0.57 C ATOM 212 CD LYS A 15 45.706 23.606 10.930 1.00 1.16 C ATOM 213 CE LYS A 15 45.834 22.735 12.183 1.00 1.52 C ATOM 214 NZ LYS A 15 46.486 21.444 11.826 1.00 2.24 N ATOM 0 H LYS A 15 43.604 26.108 13.323 1.00 0.20 H new ATOM 0 HA LYS A 15 43.422 26.931 10.649 1.00 0.22 H new ATOM 0 HB2 LYS A 15 43.121 24.191 11.954 1.00 0.25 H new ATOM 0 HB3 LYS A 15 43.227 24.410 10.219 1.00 0.25 H new ATOM 0 HG2 LYS A 15 45.402 25.730 10.612 1.00 0.57 H new ATOM 0 HG3 LYS A 15 45.317 25.247 12.295 1.00 0.57 H new ATOM 0 HD2 LYS A 15 45.116 23.086 10.175 1.00 1.16 H new ATOM 0 HD3 LYS A 15 46.691 23.783 10.499 1.00 1.16 H new ATOM 0 HE2 LYS A 15 46.421 23.254 12.941 1.00 1.52 H new ATOM 0 HE3 LYS A 15 44.849 22.551 12.613 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 46.573 20.852 12.677 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 45.909 20.948 11.117 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 47.432 21.629 11.435 1.00 2.24 H new ATOM 228 N LEU A 16 40.615 25.491 11.675 1.00 0.15 N ATOM 229 CA LEU A 16 39.157 25.431 11.371 1.00 0.13 C ATOM 230 C LEU A 16 38.622 26.862 11.226 1.00 0.13 C ATOM 231 O LEU A 16 37.640 27.107 10.554 1.00 0.17 O ATOM 232 CB LEU A 16 38.444 24.704 12.538 1.00 0.11 C ATOM 233 CG LEU A 16 37.396 23.709 12.011 1.00 0.14 C ATOM 234 CD1 LEU A 16 38.085 22.514 11.309 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.546 23.222 13.194 1.00 0.17 C ATOM 0 H LEU A 16 40.912 24.936 12.478 1.00 0.15 H new ATOM 0 HA LEU A 16 38.975 24.890 10.443 1.00 0.13 H new ATOM 0 HB2 LEU A 16 39.179 24.176 13.145 1.00 0.11 H new ATOM 0 HB3 LEU A 16 37.962 25.436 13.186 1.00 0.11 H new ATOM 0 HG LEU A 16 36.758 24.201 11.277 1.00 0.14 H new ATOM 0 HD11 LEU A 16 37.327 21.821 10.943 1.00 0.26 H new ATOM 0 HD12 LEU A 16 38.679 22.878 10.471 1.00 0.26 H new ATOM 0 HD13 LEU A 16 38.734 22.000 12.018 1.00 0.26 H new ATOM 0 HD21 LEU A 16 35.797 22.515 12.837 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.188 22.732 13.926 1.00 0.17 H new ATOM 0 HD23 LEU A 16 36.049 24.073 13.659 1.00 0.17 H new ATOM 247 N LEU A 17 39.260 27.802 11.864 1.00 0.12 N ATOM 248 CA LEU A 17 38.801 29.215 11.785 1.00 0.13 C ATOM 249 C LEU A 17 39.349 29.876 10.513 1.00 0.15 C ATOM 250 O LEU A 17 38.685 30.673 9.881 1.00 0.22 O ATOM 251 CB LEU A 17 39.319 29.966 13.020 1.00 0.12 C ATOM 252 CG LEU A 17 38.493 31.248 13.253 1.00 0.12 C ATOM 253 CD1 LEU A 17 37.245 30.924 14.082 1.00 0.12 C ATOM 254 CD2 LEU A 17 39.328 32.284 14.016 1.00 0.13 C ATOM 0 H LEU A 17 40.087 27.650 12.442 1.00 0.12 H new ATOM 0 HA LEU A 17 37.712 29.247 11.754 1.00 0.13 H new ATOM 0 HB2 LEU A 17 39.259 29.322 13.897 1.00 0.12 H new ATOM 0 HB3 LEU A 17 40.370 30.222 12.884 1.00 0.12 H new ATOM 0 HG LEU A 17 38.202 31.649 12.282 1.00 0.12 H new ATOM 0 HD11 LEU A 17 36.668 31.835 14.242 1.00 0.12 H new ATOM 0 HD12 LEU A 17 36.634 30.196 13.550 1.00 0.12 H new ATOM 0 HD13 LEU A 17 37.545 30.511 15.045 1.00 0.12 H new ATOM 0 HD21 LEU A 17 38.734 33.184 14.174 1.00 0.13 H new ATOM 0 HD22 LEU A 17 39.627 31.872 14.980 1.00 0.13 H new ATOM 0 HD23 LEU A 17 40.217 32.533 13.437 1.00 0.13 H new ATOM 266 N GLU A 18 40.559 29.559 10.145 1.00 0.20 N ATOM 267 CA GLU A 18 41.159 30.178 8.925 1.00 0.25 C ATOM 268 C GLU A 18 40.504 29.606 7.671 1.00 0.21 C ATOM 269 O GLU A 18 39.956 30.325 6.859 1.00 0.25 O ATOM 270 CB GLU A 18 42.656 29.866 8.876 1.00 0.32 C ATOM 271 CG GLU A 18 43.336 30.350 10.158 1.00 1.41 C ATOM 272 CD GLU A 18 43.543 31.865 10.095 1.00 2.13 C ATOM 273 OE1 GLU A 18 42.558 32.581 10.169 1.00 2.77 O ATOM 274 OE2 GLU A 18 44.683 32.283 9.975 1.00 2.62 O ATOM 0 H GLU A 18 41.161 28.897 10.635 1.00 0.20 H new ATOM 0 HA GLU A 18 40.999 31.255 8.965 1.00 0.25 H new ATOM 0 HB2 GLU A 18 42.808 28.793 8.757 1.00 0.32 H new ATOM 0 HB3 GLU A 18 43.108 30.350 8.010 1.00 0.32 H new ATOM 0 HG2 GLU A 18 42.726 30.093 11.024 1.00 1.41 H new ATOM 0 HG3 GLU A 18 44.295 29.848 10.284 1.00 1.41 H new ATOM 281 N LYS A 19 40.573 28.316 7.500 1.00 0.20 N ATOM 282 CA LYS A 19 39.980 27.685 6.298 1.00 0.20 C ATOM 283 C LYS A 19 38.573 28.234 6.054 1.00 0.18 C ATOM 284 O LYS A 19 38.254 28.679 4.969 1.00 0.24 O ATOM 285 CB LYS A 19 39.925 26.175 6.527 1.00 0.22 C ATOM 286 CG LYS A 19 41.314 25.567 6.311 1.00 0.30 C ATOM 287 CD LYS A 19 41.244 24.051 6.509 1.00 0.37 C ATOM 288 CE LYS A 19 42.659 23.488 6.652 1.00 0.92 C ATOM 289 NZ LYS A 19 42.601 22.000 6.686 1.00 1.77 N ATOM 0 H LYS A 19 41.020 27.669 8.150 1.00 0.20 H new ATOM 0 HA LYS A 19 40.588 27.907 5.421 1.00 0.20 H new ATOM 0 HB2 LYS A 19 39.579 25.964 7.539 1.00 0.22 H new ATOM 0 HB3 LYS A 19 39.208 25.720 5.843 1.00 0.22 H new ATOM 0 HG2 LYS A 19 41.671 25.797 5.307 1.00 0.30 H new ATOM 0 HG3 LYS A 19 42.027 26.003 7.011 1.00 0.30 H new ATOM 0 HD2 LYS A 19 40.657 23.816 7.397 1.00 0.37 H new ATOM 0 HD3 LYS A 19 40.740 23.586 5.662 1.00 0.37 H new ATOM 0 HE2 LYS A 19 43.279 23.819 5.819 1.00 0.92 H new ATOM 0 HE3 LYS A 19 43.121 23.865 7.564 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 43.563 21.617 6.783 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 42.023 21.693 7.494 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 42.176 21.649 5.804 1.00 1.77 H new ATOM 303 N PHE A 20 37.729 28.215 7.045 1.00 0.16 N ATOM 304 CA PHE A 20 36.357 28.745 6.854 1.00 0.16 C ATOM 305 C PHE A 20 36.402 30.271 6.943 1.00 0.19 C ATOM 306 O PHE A 20 35.391 30.943 6.876 1.00 0.30 O ATOM 307 CB PHE A 20 35.452 28.177 7.941 1.00 0.14 C ATOM 308 CG PHE A 20 35.240 26.700 7.691 1.00 0.13 C ATOM 309 CD1 PHE A 20 36.251 25.791 8.026 1.00 0.13 C ATOM 310 CD2 PHE A 20 34.042 26.237 7.123 1.00 0.13 C ATOM 311 CE1 PHE A 20 36.069 24.423 7.797 1.00 0.12 C ATOM 312 CE2 PHE A 20 33.863 24.866 6.894 1.00 0.13 C ATOM 313 CZ PHE A 20 34.877 23.960 7.232 1.00 0.12 C ATOM 0 H PHE A 20 37.932 27.855 7.978 1.00 0.16 H new ATOM 0 HA PHE A 20 35.966 28.455 5.879 1.00 0.16 H new ATOM 0 HB2 PHE A 20 35.901 28.331 8.922 1.00 0.14 H new ATOM 0 HB3 PHE A 20 34.495 28.699 7.943 1.00 0.14 H new ATOM 0 HD1 PHE A 20 37.173 26.147 8.462 1.00 0.13 H new ATOM 0 HD2 PHE A 20 33.261 26.936 6.863 1.00 0.13 H new ATOM 0 HE1 PHE A 20 36.850 23.724 8.057 1.00 0.12 H new ATOM 0 HE2 PHE A 20 32.943 24.508 6.457 1.00 0.13 H new ATOM 0 HZ PHE A 20 34.738 22.904 7.056 1.00 0.12 H new ATOM 323 N ARG A 21 37.580 30.820 7.074 1.00 0.18 N ATOM 324 CA ARG A 21 37.724 32.305 7.148 1.00 0.21 C ATOM 325 C ARG A 21 36.745 32.899 8.170 1.00 0.18 C ATOM 326 O ARG A 21 36.153 33.933 7.932 1.00 0.19 O ATOM 327 CB ARG A 21 37.426 32.907 5.766 1.00 0.29 C ATOM 328 CG ARG A 21 38.325 32.259 4.677 1.00 0.65 C ATOM 329 CD ARG A 21 39.457 33.214 4.271 1.00 1.12 C ATOM 330 NE ARG A 21 40.371 33.429 5.427 1.00 1.93 N ATOM 331 CZ ARG A 21 41.552 33.951 5.233 1.00 2.67 C ATOM 332 NH1 ARG A 21 41.928 34.281 4.027 1.00 2.95 N ATOM 333 NH2 ARG A 21 42.356 34.143 6.242 1.00 3.64 N ATOM 0 H ARG A 21 38.456 30.300 7.133 1.00 0.18 H new ATOM 0 HA ARG A 21 38.742 32.541 7.458 1.00 0.21 H new ATOM 0 HB2 ARG A 21 36.376 32.753 5.516 1.00 0.29 H new ATOM 0 HB3 ARG A 21 37.594 33.984 5.789 1.00 0.29 H new ATOM 0 HG2 ARG A 21 38.746 31.327 5.053 1.00 0.65 H new ATOM 0 HG3 ARG A 21 37.723 32.008 3.804 1.00 0.65 H new ATOM 0 HD2 ARG A 21 40.011 32.799 3.429 1.00 1.12 H new ATOM 0 HD3 ARG A 21 39.042 34.166 3.941 1.00 1.12 H new ATOM 0 HE ARG A 21 40.075 33.169 6.368 1.00 1.93 H new ATOM 0 HH11 ARG A 21 41.299 34.131 3.238 1.00 2.95 H new ATOM 0 HH12 ARG A 21 42.850 34.689 3.874 1.00 2.95 H new ATOM 0 HH21 ARG A 21 42.062 33.885 7.184 1.00 3.64 H new ATOM 0 HH22 ARG A 21 43.278 34.551 6.089 1.00 3.64 H new ATOM 347 N TYR A 22 36.564 32.272 9.306 1.00 0.15 N ATOM 348 CA TYR A 22 35.619 32.838 10.319 1.00 0.13 C ATOM 349 C TYR A 22 36.358 33.915 11.159 1.00 0.14 C ATOM 350 O TYR A 22 37.547 33.792 11.375 1.00 0.15 O ATOM 351 CB TYR A 22 35.155 31.718 11.269 1.00 0.11 C ATOM 352 CG TYR A 22 34.003 30.910 10.683 1.00 0.11 C ATOM 353 CD1 TYR A 22 32.818 31.537 10.251 1.00 0.12 C ATOM 354 CD2 TYR A 22 34.116 29.513 10.593 1.00 0.11 C ATOM 355 CE1 TYR A 22 31.767 30.769 9.736 1.00 0.13 C ATOM 356 CE2 TYR A 22 33.063 28.752 10.077 1.00 0.12 C ATOM 357 CZ TYR A 22 31.890 29.379 9.649 1.00 0.13 C ATOM 358 OH TYR A 22 30.851 28.626 9.144 1.00 0.15 O ATOM 0 H TYR A 22 37.024 31.402 9.574 1.00 0.15 H new ATOM 0 HA TYR A 22 34.762 33.276 9.808 1.00 0.13 H new ATOM 0 HB2 TYR A 22 35.992 31.053 11.481 1.00 0.11 H new ATOM 0 HB3 TYR A 22 34.845 32.154 12.219 1.00 0.11 H new ATOM 0 HD1 TYR A 22 32.720 32.611 10.317 1.00 0.12 H new ATOM 0 HD2 TYR A 22 35.021 29.024 10.924 1.00 0.11 H new ATOM 0 HE1 TYR A 22 30.859 31.251 9.405 1.00 0.13 H new ATOM 0 HE2 TYR A 22 33.156 27.678 10.009 1.00 0.12 H new ATOM 0 HH TYR A 22 30.003 28.952 9.511 1.00 0.15 H new ATOM 368 N PRO A 23 35.642 34.924 11.642 1.00 0.14 N ATOM 369 CA PRO A 23 36.253 35.975 12.487 1.00 0.16 C ATOM 370 C PRO A 23 36.820 35.355 13.781 1.00 0.16 C ATOM 371 O PRO A 23 36.695 34.173 14.024 1.00 0.15 O ATOM 372 CB PRO A 23 35.105 36.962 12.797 1.00 0.17 C ATOM 373 CG PRO A 23 33.798 36.344 12.230 1.00 0.15 C ATOM 374 CD PRO A 23 34.197 35.113 11.387 1.00 0.14 C ATOM 0 HA PRO A 23 37.086 36.475 11.992 1.00 0.16 H new ATOM 0 HB2 PRO A 23 35.018 37.125 13.871 1.00 0.17 H new ATOM 0 HB3 PRO A 23 35.300 37.933 12.342 1.00 0.17 H new ATOM 0 HG2 PRO A 23 33.128 36.054 13.039 1.00 0.15 H new ATOM 0 HG3 PRO A 23 33.263 37.071 11.619 1.00 0.15 H new ATOM 0 HD2 PRO A 23 33.626 34.232 11.681 1.00 0.14 H new ATOM 0 HD3 PRO A 23 34.002 35.280 10.328 1.00 0.14 H new ATOM 382 N TRP A 24 37.451 36.159 14.597 1.00 0.18 N ATOM 383 CA TRP A 24 38.056 35.650 15.871 1.00 0.19 C ATOM 384 C TRP A 24 36.992 35.466 16.965 1.00 0.19 C ATOM 385 O TRP A 24 37.247 34.848 17.980 1.00 0.21 O ATOM 386 CB TRP A 24 39.107 36.659 16.348 1.00 0.21 C ATOM 387 CG TRP A 24 39.641 36.252 17.686 1.00 0.28 C ATOM 388 CD1 TRP A 24 39.217 36.745 18.872 1.00 0.34 C ATOM 389 CD2 TRP A 24 40.688 35.287 17.995 1.00 0.33 C ATOM 390 NE1 TRP A 24 39.937 36.145 19.889 1.00 0.42 N ATOM 391 CE2 TRP A 24 40.856 35.238 19.399 1.00 0.42 C ATOM 392 CE3 TRP A 24 41.501 34.456 17.202 1.00 0.35 C ATOM 393 CZ2 TRP A 24 41.796 34.398 19.996 1.00 0.50 C ATOM 394 CZ3 TRP A 24 42.448 33.608 17.800 1.00 0.45 C ATOM 395 CH2 TRP A 24 42.596 33.580 19.194 1.00 0.52 C ATOM 0 H TRP A 24 37.576 37.158 14.436 1.00 0.18 H new ATOM 0 HA TRP A 24 38.510 34.678 15.679 1.00 0.19 H new ATOM 0 HB2 TRP A 24 39.921 36.717 15.625 1.00 0.21 H new ATOM 0 HB3 TRP A 24 38.665 37.653 16.411 1.00 0.21 H new ATOM 0 HD1 TRP A 24 38.443 37.486 19.003 1.00 0.34 H new ATOM 0 HE1 TRP A 24 39.805 36.348 20.880 1.00 0.42 H new ATOM 0 HE3 TRP A 24 41.396 34.470 16.127 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 41.905 34.380 21.070 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 43.066 32.974 17.182 1.00 0.45 H new ATOM 0 HH2 TRP A 24 43.327 32.927 19.647 1.00 0.52 H new ATOM 406 N GLU A 25 35.818 36.007 16.794 1.00 0.18 N ATOM 407 CA GLU A 25 34.775 35.865 17.859 1.00 0.21 C ATOM 408 C GLU A 25 34.095 34.484 17.789 1.00 0.17 C ATOM 409 O GLU A 25 33.384 34.101 18.696 1.00 0.20 O ATOM 410 CB GLU A 25 33.720 36.977 17.693 1.00 0.29 C ATOM 411 CG GLU A 25 33.573 37.336 16.210 1.00 1.15 C ATOM 412 CD GLU A 25 32.239 38.053 15.980 1.00 1.55 C ATOM 413 OE1 GLU A 25 31.641 38.476 16.955 1.00 1.97 O ATOM 414 OE2 GLU A 25 31.840 38.166 14.832 1.00 2.18 O ATOM 0 H GLU A 25 35.533 36.538 15.971 1.00 0.18 H new ATOM 0 HA GLU A 25 35.258 35.955 18.832 1.00 0.21 H new ATOM 0 HB2 GLU A 25 32.762 36.645 18.093 1.00 0.29 H new ATOM 0 HB3 GLU A 25 34.015 37.858 18.263 1.00 0.29 H new ATOM 0 HG2 GLU A 25 34.399 37.975 15.897 1.00 1.15 H new ATOM 0 HG3 GLU A 25 33.621 36.433 15.601 1.00 1.15 H new ATOM 421 N LEU A 26 34.282 33.742 16.727 1.00 0.13 N ATOM 422 CA LEU A 26 33.612 32.401 16.622 1.00 0.11 C ATOM 423 C LEU A 26 34.541 31.275 17.080 1.00 0.10 C ATOM 424 O LEU A 26 34.432 30.157 16.618 1.00 0.11 O ATOM 425 CB LEU A 26 33.214 32.139 15.171 1.00 0.10 C ATOM 426 CG LEU A 26 32.514 33.364 14.582 1.00 0.10 C ATOM 427 CD1 LEU A 26 31.883 32.971 13.247 1.00 0.11 C ATOM 428 CD2 LEU A 26 31.421 33.862 15.540 1.00 0.12 C ATOM 0 H LEU A 26 34.865 34.000 15.931 1.00 0.13 H new ATOM 0 HA LEU A 26 32.733 32.418 17.266 1.00 0.11 H new ATOM 0 HB2 LEU A 26 34.099 31.900 14.582 1.00 0.10 H new ATOM 0 HB3 LEU A 26 32.553 31.274 15.119 1.00 0.10 H new ATOM 0 HG LEU A 26 33.240 34.164 14.435 1.00 0.10 H new ATOM 0 HD11 LEU A 26 31.379 33.835 12.814 1.00 0.11 H new ATOM 0 HD12 LEU A 26 32.660 32.625 12.565 1.00 0.11 H new ATOM 0 HD13 LEU A 26 31.159 32.172 13.408 1.00 0.11 H new ATOM 0 HD21 LEU A 26 30.930 34.735 15.109 1.00 0.12 H new ATOM 0 HD22 LEU A 26 30.686 33.072 15.696 1.00 0.12 H new ATOM 0 HD23 LEU A 26 31.870 34.133 16.495 1.00 0.12 H new ATOM 440 N MET A 27 35.447 31.538 17.977 1.00 0.12 N ATOM 441 CA MET A 27 36.349 30.447 18.431 1.00 0.13 C ATOM 442 C MET A 27 35.594 29.432 19.333 1.00 0.11 C ATOM 443 O MET A 27 35.870 28.252 19.247 1.00 0.13 O ATOM 444 CB MET A 27 37.561 31.040 19.181 1.00 0.18 C ATOM 445 CG MET A 27 38.642 31.471 18.182 1.00 0.19 C ATOM 446 SD MET A 27 40.115 31.993 19.090 1.00 1.17 S ATOM 447 CE MET A 27 40.873 30.357 19.234 1.00 0.31 C ATOM 0 H MET A 27 35.601 32.448 18.411 1.00 0.12 H new ATOM 0 HA MET A 27 36.704 29.910 17.552 1.00 0.13 H new ATOM 0 HB2 MET A 27 37.245 31.895 19.778 1.00 0.18 H new ATOM 0 HB3 MET A 27 37.967 30.301 19.872 1.00 0.18 H new ATOM 0 HG2 MET A 27 38.886 30.646 17.513 1.00 0.19 H new ATOM 0 HG3 MET A 27 38.275 32.288 17.560 1.00 0.19 H new ATOM 0 HE1 MET A 27 41.449 30.303 20.158 1.00 0.31 H new ATOM 0 HE2 MET A 27 40.094 29.595 19.247 1.00 0.31 H new ATOM 0 HE3 MET A 27 41.533 30.186 18.384 1.00 0.31 H new ATOM 457 N PRO A 28 34.673 29.883 20.180 1.00 0.10 N ATOM 458 CA PRO A 28 33.932 28.957 21.070 1.00 0.09 C ATOM 459 C PRO A 28 33.192 27.875 20.270 1.00 0.10 C ATOM 460 O PRO A 28 32.902 26.814 20.781 1.00 0.19 O ATOM 461 CB PRO A 28 32.947 29.861 21.842 1.00 0.09 C ATOM 462 CG PRO A 28 33.413 31.320 21.609 1.00 0.11 C ATOM 463 CD PRO A 28 34.291 31.306 20.345 1.00 0.11 C ATOM 0 HA PRO A 28 34.599 28.413 21.738 1.00 0.09 H new ATOM 0 HB2 PRO A 28 31.927 29.718 21.484 1.00 0.09 H new ATOM 0 HB3 PRO A 28 32.949 29.618 22.905 1.00 0.09 H new ATOM 0 HG2 PRO A 28 32.558 31.984 21.479 1.00 0.11 H new ATOM 0 HG3 PRO A 28 33.975 31.689 22.467 1.00 0.11 H new ATOM 0 HD2 PRO A 28 33.744 31.674 19.477 1.00 0.11 H new ATOM 0 HD3 PRO A 28 35.168 31.942 20.463 1.00 0.11 H new ATOM 471 N LEU A 29 32.881 28.121 19.029 1.00 0.11 N ATOM 472 CA LEU A 29 32.168 27.082 18.231 1.00 0.09 C ATOM 473 C LEU A 29 33.199 26.117 17.656 1.00 0.10 C ATOM 474 O LEU A 29 33.093 24.917 17.815 1.00 0.19 O ATOM 475 CB LEU A 29 31.364 27.745 17.109 1.00 0.08 C ATOM 476 CG LEU A 29 30.416 28.797 17.705 1.00 0.08 C ATOM 477 CD1 LEU A 29 29.858 29.675 16.583 1.00 0.09 C ATOM 478 CD2 LEU A 29 29.251 28.104 18.428 1.00 0.08 C ATOM 0 H LEU A 29 33.087 28.989 18.534 1.00 0.11 H new ATOM 0 HA LEU A 29 31.473 26.533 18.866 1.00 0.09 H new ATOM 0 HB2 LEU A 29 32.039 28.213 16.393 1.00 0.08 H new ATOM 0 HB3 LEU A 29 30.793 26.993 16.564 1.00 0.08 H new ATOM 0 HG LEU A 29 30.969 29.411 18.416 1.00 0.08 H new ATOM 0 HD11 LEU A 29 29.185 30.421 17.005 1.00 0.09 H new ATOM 0 HD12 LEU A 29 30.679 30.175 16.070 1.00 0.09 H new ATOM 0 HD13 LEU A 29 29.311 29.054 15.873 1.00 0.09 H new ATOM 0 HD21 LEU A 29 28.584 28.857 18.848 1.00 0.08 H new ATOM 0 HD22 LEU A 29 28.700 27.485 17.720 1.00 0.08 H new ATOM 0 HD23 LEU A 29 29.642 27.478 19.230 1.00 0.08 H new ATOM 490 N MET A 30 34.216 26.622 17.019 1.00 0.10 N ATOM 491 CA MET A 30 35.263 25.716 16.479 1.00 0.12 C ATOM 492 C MET A 30 35.784 24.864 17.637 1.00 0.10 C ATOM 493 O MET A 30 36.402 23.835 17.448 1.00 0.11 O ATOM 494 CB MET A 30 36.413 26.545 15.908 1.00 0.16 C ATOM 495 CG MET A 30 35.885 27.532 14.874 1.00 0.19 C ATOM 496 SD MET A 30 35.347 26.630 13.397 1.00 1.16 S ATOM 497 CE MET A 30 33.692 27.347 13.263 1.00 0.20 C ATOM 0 H MET A 30 34.367 27.616 16.850 1.00 0.10 H new ATOM 0 HA MET A 30 34.852 25.087 15.689 1.00 0.12 H new ATOM 0 HB2 MET A 30 36.917 27.083 16.711 1.00 0.16 H new ATOM 0 HB3 MET A 30 37.153 25.888 15.450 1.00 0.16 H new ATOM 0 HG2 MET A 30 35.053 28.100 15.290 1.00 0.19 H new ATOM 0 HG3 MET A 30 36.662 28.250 14.612 1.00 0.19 H new ATOM 0 HE1 MET A 30 33.219 27.001 12.344 1.00 0.20 H new ATOM 0 HE2 MET A 30 33.091 27.038 14.118 1.00 0.20 H new ATOM 0 HE3 MET A 30 33.767 28.434 13.246 1.00 0.20 H new ATOM 507 N TYR A 31 35.530 25.305 18.840 1.00 0.09 N ATOM 508 CA TYR A 31 35.991 24.557 20.042 1.00 0.09 C ATOM 509 C TYR A 31 35.055 23.372 20.292 1.00 0.09 C ATOM 510 O TYR A 31 35.490 22.262 20.525 1.00 0.10 O ATOM 511 CB TYR A 31 35.968 25.505 21.247 1.00 0.09 C ATOM 512 CG TYR A 31 36.193 24.742 22.530 1.00 0.10 C ATOM 513 CD1 TYR A 31 37.494 24.533 23.002 1.00 0.11 C ATOM 514 CD2 TYR A 31 35.098 24.258 23.255 1.00 0.10 C ATOM 515 CE1 TYR A 31 37.700 23.835 24.198 1.00 0.12 C ATOM 516 CE2 TYR A 31 35.303 23.563 24.452 1.00 0.11 C ATOM 517 CZ TYR A 31 36.604 23.350 24.923 1.00 0.12 C ATOM 518 OH TYR A 31 36.808 22.664 26.104 1.00 0.14 O ATOM 0 H TYR A 31 35.016 26.163 19.042 1.00 0.09 H new ATOM 0 HA TYR A 31 37.003 24.182 19.889 1.00 0.09 H new ATOM 0 HB2 TYR A 31 36.739 26.267 21.131 1.00 0.09 H new ATOM 0 HB3 TYR A 31 35.010 26.024 21.290 1.00 0.09 H new ATOM 0 HD1 TYR A 31 38.338 24.910 22.444 1.00 0.11 H new ATOM 0 HD2 TYR A 31 34.095 24.421 22.890 1.00 0.10 H new ATOM 0 HE1 TYR A 31 38.704 23.671 24.561 1.00 0.12 H new ATOM 0 HE2 TYR A 31 34.458 23.191 25.012 1.00 0.11 H new ATOM 0 HH TYR A 31 36.046 22.809 26.702 1.00 0.14 H new ATOM 528 N VAL A 32 33.772 23.601 20.245 1.00 0.09 N ATOM 529 CA VAL A 32 32.808 22.491 20.479 1.00 0.09 C ATOM 530 C VAL A 32 32.864 21.511 19.304 1.00 0.09 C ATOM 531 O VAL A 32 32.965 20.316 19.485 1.00 0.12 O ATOM 532 CB VAL A 32 31.394 23.063 20.601 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.396 21.914 20.753 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.310 23.990 21.827 1.00 0.12 C ATOM 0 H VAL A 32 33.350 24.510 20.054 1.00 0.09 H new ATOM 0 HA VAL A 32 33.069 21.969 21.399 1.00 0.09 H new ATOM 0 HB VAL A 32 31.156 23.637 19.705 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.387 22.317 20.840 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.453 21.265 19.879 1.00 0.09 H new ATOM 0 HG13 VAL A 32 30.636 21.340 21.648 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.301 24.394 21.909 1.00 0.12 H new ATOM 0 HG22 VAL A 32 31.549 23.424 22.728 1.00 0.12 H new ATOM 0 HG23 VAL A 32 32.021 24.809 21.714 1.00 0.12 H new ATOM 544 N ILE A 33 32.798 22.004 18.100 1.00 0.09 N ATOM 545 CA ILE A 33 32.847 21.095 16.923 1.00 0.09 C ATOM 546 C ILE A 33 34.041 20.132 17.069 1.00 0.10 C ATOM 547 O ILE A 33 33.872 18.929 17.099 1.00 0.11 O ATOM 548 CB ILE A 33 32.965 21.949 15.652 1.00 0.09 C ATOM 549 CG1 ILE A 33 31.691 22.793 15.516 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.110 21.050 14.424 1.00 0.10 C ATOM 551 CD1 ILE A 33 31.836 23.802 14.372 1.00 0.09 C ATOM 0 H ILE A 33 32.712 22.996 17.880 1.00 0.09 H new ATOM 0 HA ILE A 33 31.940 20.494 16.859 1.00 0.09 H new ATOM 0 HB ILE A 33 33.843 22.591 15.722 1.00 0.09 H new ATOM 0 HG12 ILE A 33 30.836 22.144 15.330 1.00 0.10 H new ATOM 0 HG13 ILE A 33 31.495 23.319 16.450 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.193 21.667 13.529 1.00 0.10 H new ATOM 0 HG22 ILE A 33 34.005 20.436 14.526 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.236 20.405 14.340 1.00 0.10 H new ATOM 0 HD11 ILE A 33 30.923 24.392 14.290 1.00 0.09 H new ATOM 0 HD12 ILE A 33 32.679 24.463 14.575 1.00 0.09 H new ATOM 0 HD13 ILE A 33 32.009 23.269 13.437 1.00 0.09 H new ATOM 563 N LEU A 34 35.241 20.644 17.174 1.00 0.10 N ATOM 564 CA LEU A 34 36.435 19.753 17.333 1.00 0.11 C ATOM 565 C LEU A 34 36.243 18.858 18.573 1.00 0.13 C ATOM 566 O LEU A 34 36.740 17.751 18.626 1.00 0.20 O ATOM 567 CB LEU A 34 37.695 20.652 17.515 1.00 0.09 C ATOM 568 CG LEU A 34 38.603 20.779 16.237 1.00 0.09 C ATOM 569 CD1 LEU A 34 37.867 20.465 14.920 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.153 22.211 16.161 1.00 0.10 C ATOM 0 H LEU A 34 35.448 21.643 17.157 1.00 0.10 H new ATOM 0 HA LEU A 34 36.557 19.117 16.456 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.373 21.649 17.815 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.295 20.251 18.332 1.00 0.09 H new ATOM 0 HG LEU A 34 39.398 20.040 16.341 1.00 0.09 H new ATOM 0 HD11 LEU A 34 38.557 20.573 14.083 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.489 19.443 14.949 1.00 0.10 H new ATOM 0 HD13 LEU A 34 37.034 21.156 14.795 1.00 0.10 H new ATOM 0 HD21 LEU A 34 39.785 22.312 15.278 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.324 22.916 16.097 1.00 0.10 H new ATOM 0 HD23 LEU A 34 39.741 22.423 17.054 1.00 0.10 H new ATOM 582 N LYS A 35 35.543 19.324 19.569 1.00 0.12 N ATOM 583 CA LYS A 35 35.350 18.489 20.792 1.00 0.15 C ATOM 584 C LYS A 35 34.642 17.178 20.436 1.00 0.21 C ATOM 585 O LYS A 35 34.962 16.131 20.963 1.00 0.29 O ATOM 586 CB LYS A 35 34.507 19.258 21.815 1.00 0.13 C ATOM 587 CG LYS A 35 34.613 18.567 23.183 1.00 0.17 C ATOM 588 CD LYS A 35 33.542 19.108 24.146 1.00 0.26 C ATOM 589 CE LYS A 35 34.005 20.433 24.758 1.00 0.80 C ATOM 590 NZ LYS A 35 35.160 20.183 25.666 1.00 1.49 N ATOM 0 H LYS A 35 35.098 20.241 19.592 1.00 0.12 H new ATOM 0 HA LYS A 35 36.328 18.262 21.217 1.00 0.15 H new ATOM 0 HB2 LYS A 35 34.854 20.289 21.888 1.00 0.13 H new ATOM 0 HB3 LYS A 35 33.466 19.294 21.492 1.00 0.13 H new ATOM 0 HG2 LYS A 35 34.492 17.490 23.063 1.00 0.17 H new ATOM 0 HG3 LYS A 35 35.605 18.731 23.604 1.00 0.17 H new ATOM 0 HD2 LYS A 35 32.603 19.254 23.613 1.00 0.26 H new ATOM 0 HD3 LYS A 35 33.351 18.381 24.935 1.00 0.26 H new ATOM 0 HE2 LYS A 35 34.292 21.129 23.970 1.00 0.80 H new ATOM 0 HE3 LYS A 35 33.188 20.896 25.311 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 35.838 20.968 25.590 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 34.821 20.112 26.647 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 35.628 19.294 25.396 1.00 1.49 H new ATOM 604 N ASP A 36 33.676 17.223 19.559 1.00 0.24 N ATOM 605 CA ASP A 36 32.945 15.974 19.188 1.00 0.32 C ATOM 606 C ASP A 36 33.666 15.251 18.049 1.00 0.26 C ATOM 607 O ASP A 36 33.705 14.037 18.001 1.00 0.36 O ATOM 608 CB ASP A 36 31.530 16.334 18.744 1.00 0.42 C ATOM 609 CG ASP A 36 30.705 16.747 19.965 1.00 0.84 C ATOM 610 OD1 ASP A 36 30.799 17.899 20.357 1.00 1.42 O ATOM 611 OD2 ASP A 36 29.993 15.905 20.487 1.00 1.56 O ATOM 0 H ASP A 36 33.361 18.068 19.083 1.00 0.24 H new ATOM 0 HA ASP A 36 32.908 15.314 20.055 1.00 0.32 H new ATOM 0 HB2 ASP A 36 31.560 17.148 18.019 1.00 0.42 H new ATOM 0 HB3 ASP A 36 31.065 15.482 18.248 1.00 0.42 H new ATOM 616 N ALA A 37 34.225 15.980 17.125 1.00 0.18 N ATOM 617 CA ALA A 37 34.925 15.325 15.986 1.00 0.17 C ATOM 618 C ALA A 37 36.291 14.821 16.439 1.00 0.16 C ATOM 619 O ALA A 37 37.249 14.854 15.692 1.00 0.21 O ATOM 620 CB ALA A 37 35.121 16.347 14.871 1.00 0.19 C ATOM 0 H ALA A 37 34.228 17.000 17.109 1.00 0.18 H new ATOM 0 HA ALA A 37 34.328 14.485 15.629 1.00 0.17 H new ATOM 0 HB1 ALA A 37 35.633 15.876 14.032 1.00 0.19 H new ATOM 0 HB2 ALA A 37 34.150 16.717 14.542 1.00 0.19 H new ATOM 0 HB3 ALA A 37 35.720 17.179 15.241 1.00 0.19 H new ATOM 626 N ASP A 38 36.404 14.370 17.654 1.00 0.18 N ATOM 627 CA ASP A 38 37.727 13.888 18.128 1.00 0.20 C ATOM 628 C ASP A 38 38.753 14.992 17.866 1.00 0.18 C ATOM 629 O ASP A 38 39.948 14.776 17.889 1.00 0.22 O ATOM 630 CB ASP A 38 38.107 12.612 17.359 1.00 0.25 C ATOM 631 CG ASP A 38 39.062 11.758 18.199 1.00 1.00 C ATOM 632 OD1 ASP A 38 38.584 11.060 19.078 1.00 1.82 O ATOM 633 OD2 ASP A 38 40.255 11.817 17.948 1.00 1.65 O ATOM 0 H ASP A 38 35.646 14.314 18.334 1.00 0.18 H new ATOM 0 HA ASP A 38 37.698 13.656 19.193 1.00 0.20 H new ATOM 0 HB2 ASP A 38 37.210 12.041 17.120 1.00 0.25 H new ATOM 0 HB3 ASP A 38 38.579 12.875 16.412 1.00 0.25 H new ATOM 638 N ALA A 39 38.269 16.174 17.604 1.00 0.14 N ATOM 639 CA ALA A 39 39.164 17.321 17.319 1.00 0.14 C ATOM 640 C ALA A 39 39.923 17.069 16.016 1.00 0.14 C ATOM 641 O ALA A 39 40.865 17.763 15.691 1.00 0.16 O ATOM 642 CB ALA A 39 40.145 17.511 18.473 1.00 0.16 C ATOM 0 H ALA A 39 37.273 16.393 17.576 1.00 0.14 H new ATOM 0 HA ALA A 39 38.568 18.227 17.212 1.00 0.14 H new ATOM 0 HB1 ALA A 39 40.800 18.355 18.258 1.00 0.16 H new ATOM 0 HB2 ALA A 39 39.592 17.705 19.392 1.00 0.16 H new ATOM 0 HB3 ALA A 39 40.744 16.608 18.594 1.00 0.16 H new ATOM 648 N ASN A 40 39.514 16.085 15.262 1.00 0.14 N ATOM 649 CA ASN A 40 40.207 15.797 13.974 1.00 0.16 C ATOM 650 C ASN A 40 39.632 16.726 12.903 1.00 0.14 C ATOM 651 O ASN A 40 38.585 16.469 12.342 1.00 0.15 O ATOM 652 CB ASN A 40 39.979 14.319 13.587 1.00 0.20 C ATOM 653 CG ASN A 40 41.242 13.737 12.937 1.00 0.78 C ATOM 654 OD1 ASN A 40 42.208 13.447 13.614 1.00 1.77 O ATOM 655 ND2 ASN A 40 41.272 13.556 11.645 1.00 1.19 N ATOM 0 H ASN A 40 38.731 15.469 15.482 1.00 0.14 H new ATOM 0 HA ASN A 40 41.280 15.967 14.068 1.00 0.16 H new ATOM 0 HB2 ASN A 40 39.718 13.740 14.473 1.00 0.20 H new ATOM 0 HB3 ASN A 40 39.138 14.242 12.897 1.00 0.20 H new ATOM 0 HD21 ASN A 40 42.107 13.171 11.203 1.00 1.19 H new ATOM 0 HD22 ASN A 40 40.461 13.800 11.077 1.00 1.19 H new ATOM 662 N ILE A 41 40.299 17.810 12.630 1.00 0.13 N ATOM 663 CA ILE A 41 39.788 18.766 11.611 1.00 0.12 C ATOM 664 C ILE A 41 39.329 18.007 10.363 1.00 0.13 C ATOM 665 O ILE A 41 38.251 18.237 9.852 1.00 0.14 O ATOM 666 CB ILE A 41 40.894 19.766 11.263 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.086 20.697 12.471 1.00 0.13 C ATOM 668 CG2 ILE A 41 40.503 20.571 10.007 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.261 21.642 12.226 1.00 0.16 C ATOM 0 H ILE A 41 41.180 18.076 13.070 1.00 0.13 H new ATOM 0 HA ILE A 41 38.931 19.309 12.011 1.00 0.12 H new ATOM 0 HB ILE A 41 41.827 19.246 11.045 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.177 21.273 12.644 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.266 20.107 13.370 1.00 0.13 H new ATOM 0 HG21 ILE A 41 41.296 21.280 9.768 1.00 0.15 H new ATOM 0 HG22 ILE A 41 40.360 19.890 9.168 1.00 0.15 H new ATOM 0 HG23 ILE A 41 39.577 21.113 10.196 1.00 0.15 H new ATOM 0 HD11 ILE A 41 42.387 22.297 13.088 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.170 21.060 12.076 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.065 22.244 11.339 1.00 0.16 H new ATOM 681 N GLU A 42 40.124 17.100 9.874 1.00 0.15 N ATOM 682 CA GLU A 42 39.711 16.331 8.673 1.00 0.16 C ATOM 683 C GLU A 42 38.316 15.758 8.911 1.00 0.16 C ATOM 684 O GLU A 42 37.569 15.533 7.989 1.00 0.19 O ATOM 685 CB GLU A 42 40.701 15.191 8.425 1.00 0.19 C ATOM 686 CG GLU A 42 42.002 15.759 7.856 1.00 0.26 C ATOM 687 CD GLU A 42 43.037 14.638 7.740 1.00 1.04 C ATOM 688 OE1 GLU A 42 42.670 13.565 7.288 1.00 1.80 O ATOM 689 OE2 GLU A 42 44.177 14.870 8.105 1.00 1.67 O ATOM 0 H GLU A 42 41.040 16.859 10.254 1.00 0.15 H new ATOM 0 HA GLU A 42 39.699 16.985 7.801 1.00 0.16 H new ATOM 0 HB2 GLU A 42 40.900 14.659 9.356 1.00 0.19 H new ATOM 0 HB3 GLU A 42 40.273 14.468 7.730 1.00 0.19 H new ATOM 0 HG2 GLU A 42 41.820 16.204 6.878 1.00 0.26 H new ATOM 0 HG3 GLU A 42 42.379 16.552 8.502 1.00 0.26 H new ATOM 696 N GLU A 43 37.959 15.527 10.148 1.00 0.15 N ATOM 697 CA GLU A 43 36.601 14.986 10.455 1.00 0.16 C ATOM 698 C GLU A 43 35.628 16.152 10.653 1.00 0.15 C ATOM 699 O GLU A 43 34.537 16.164 10.120 1.00 0.21 O ATOM 700 CB GLU A 43 36.656 14.150 11.735 1.00 0.18 C ATOM 701 CG GLU A 43 35.286 13.521 11.994 1.00 0.33 C ATOM 702 CD GLU A 43 35.403 12.492 13.120 1.00 1.21 C ATOM 703 OE1 GLU A 43 36.475 11.932 13.275 1.00 1.84 O ATOM 704 OE2 GLU A 43 34.418 12.282 13.809 1.00 1.95 O ATOM 0 H GLU A 43 38.552 15.690 10.962 1.00 0.15 H new ATOM 0 HA GLU A 43 36.265 14.359 9.629 1.00 0.16 H new ATOM 0 HB2 GLU A 43 37.413 13.372 11.641 1.00 0.18 H new ATOM 0 HB3 GLU A 43 36.946 14.776 12.579 1.00 0.18 H new ATOM 0 HG2 GLU A 43 34.565 14.292 12.265 1.00 0.33 H new ATOM 0 HG3 GLU A 43 34.916 13.043 11.087 1.00 0.33 H new ATOM 711 N ALA A 44 36.015 17.129 11.432 1.00 0.13 N ATOM 712 CA ALA A 44 35.112 18.294 11.681 1.00 0.14 C ATOM 713 C ALA A 44 34.938 19.114 10.397 1.00 0.16 C ATOM 714 O ALA A 44 33.845 19.523 10.057 1.00 0.20 O ATOM 715 CB ALA A 44 35.715 19.189 12.776 1.00 0.14 C ATOM 0 H ALA A 44 36.917 17.171 11.907 1.00 0.13 H new ATOM 0 HA ALA A 44 34.139 17.922 12.002 1.00 0.14 H new ATOM 0 HB1 ALA A 44 35.055 20.038 12.956 1.00 0.14 H new ATOM 0 HB2 ALA A 44 35.826 18.614 13.695 1.00 0.14 H new ATOM 0 HB3 ALA A 44 36.692 19.550 12.454 1.00 0.14 H new ATOM 721 N SER A 45 36.003 19.373 9.694 1.00 0.16 N ATOM 722 CA SER A 45 35.893 20.185 8.449 1.00 0.21 C ATOM 723 C SER A 45 34.795 19.620 7.547 1.00 0.20 C ATOM 724 O SER A 45 34.249 20.315 6.714 1.00 0.32 O ATOM 725 CB SER A 45 37.226 20.162 7.704 1.00 0.26 C ATOM 726 OG SER A 45 37.009 20.506 6.342 1.00 1.01 O ATOM 0 H SER A 45 36.945 19.058 9.926 1.00 0.16 H new ATOM 0 HA SER A 45 35.641 21.211 8.717 1.00 0.21 H new ATOM 0 HB2 SER A 45 37.924 20.864 8.162 1.00 0.26 H new ATOM 0 HB3 SER A 45 37.678 19.172 7.774 1.00 0.26 H new ATOM 0 HG SER A 45 37.863 20.494 5.861 1.00 1.01 H new ATOM 732 N ARG A 46 34.471 18.365 7.694 1.00 0.18 N ATOM 733 CA ARG A 46 33.413 17.769 6.827 1.00 0.20 C ATOM 734 C ARG A 46 32.036 18.152 7.379 1.00 0.16 C ATOM 735 O ARG A 46 31.133 18.498 6.644 1.00 0.22 O ATOM 736 CB ARG A 46 33.561 16.238 6.802 1.00 0.23 C ATOM 737 CG ARG A 46 35.039 15.845 6.943 1.00 0.85 C ATOM 738 CD ARG A 46 35.913 16.556 5.895 1.00 1.14 C ATOM 739 NE ARG A 46 35.216 16.583 4.566 1.00 1.59 N ATOM 740 CZ ARG A 46 34.838 15.484 3.971 1.00 2.17 C ATOM 741 NH1 ARG A 46 35.176 14.321 4.456 1.00 2.66 N ATOM 742 NH2 ARG A 46 34.151 15.550 2.863 1.00 2.87 N ATOM 0 H ARG A 46 34.890 17.729 8.372 1.00 0.18 H new ATOM 0 HA ARG A 46 33.516 18.149 5.811 1.00 0.20 H new ATOM 0 HB2 ARG A 46 32.981 15.796 7.612 1.00 0.23 H new ATOM 0 HB3 ARG A 46 33.159 15.842 5.869 1.00 0.23 H new ATOM 0 HG2 ARG A 46 35.390 16.098 7.943 1.00 0.85 H new ATOM 0 HG3 ARG A 46 35.142 14.766 6.832 1.00 0.85 H new ATOM 0 HD2 ARG A 46 36.128 17.574 6.221 1.00 1.14 H new ATOM 0 HD3 ARG A 46 36.870 16.043 5.801 1.00 1.14 H new ATOM 0 HE ARG A 46 35.033 17.481 4.117 1.00 1.59 H new ATOM 0 HH11 ARG A 46 35.739 14.266 5.305 1.00 2.66 H new ATOM 0 HH12 ARG A 46 34.877 13.466 3.986 1.00 2.66 H new ATOM 0 HH21 ARG A 46 33.911 16.458 2.465 1.00 2.87 H new ATOM 0 HH22 ARG A 46 33.854 14.694 2.395 1.00 2.87 H new ATOM 756 N ARG A 47 31.875 18.094 8.672 1.00 0.13 N ATOM 757 CA ARG A 47 30.563 18.454 9.279 1.00 0.13 C ATOM 758 C ARG A 47 30.205 19.887 8.890 1.00 0.11 C ATOM 759 O ARG A 47 29.187 20.143 8.278 1.00 0.13 O ATOM 760 CB ARG A 47 30.657 18.350 10.803 1.00 0.18 C ATOM 761 CG ARG A 47 31.331 17.031 11.192 1.00 0.49 C ATOM 762 CD ARG A 47 31.333 16.886 12.716 1.00 0.62 C ATOM 763 NE ARG A 47 31.628 15.470 13.076 1.00 0.81 N ATOM 764 CZ ARG A 47 31.952 15.160 14.301 1.00 1.20 C ATOM 765 NH1 ARG A 47 32.007 16.089 15.217 1.00 1.99 N ATOM 766 NH2 ARG A 47 32.218 13.921 14.612 1.00 1.63 N ATOM 0 H ARG A 47 32.597 17.812 9.336 1.00 0.13 H new ATOM 0 HA ARG A 47 29.794 17.771 8.917 1.00 0.13 H new ATOM 0 HB2 ARG A 47 31.226 19.191 11.200 1.00 0.18 H new ATOM 0 HB3 ARG A 47 29.661 18.404 11.243 1.00 0.18 H new ATOM 0 HG2 ARG A 47 30.803 16.193 10.737 1.00 0.49 H new ATOM 0 HG3 ARG A 47 32.353 17.007 10.813 1.00 0.49 H new ATOM 0 HD2 ARG A 47 32.080 17.548 13.155 1.00 0.62 H new ATOM 0 HD3 ARG A 47 30.366 17.183 13.122 1.00 0.62 H new ATOM 0 HE ARG A 47 31.576 14.742 12.363 1.00 0.81 H new ATOM 0 HH11 ARG A 47 31.797 17.057 14.975 1.00 1.99 H new ATOM 0 HH12 ARG A 47 32.260 15.846 16.175 1.00 1.99 H new ATOM 0 HH21 ARG A 47 32.173 13.195 13.897 1.00 1.63 H new ATOM 0 HH22 ARG A 47 32.471 13.679 15.570 1.00 1.63 H new ATOM 780 N ILE A 48 31.042 20.823 9.240 1.00 0.10 N ATOM 781 CA ILE A 48 30.767 22.247 8.893 1.00 0.10 C ATOM 782 C ILE A 48 30.378 22.342 7.419 1.00 0.11 C ATOM 783 O ILE A 48 29.291 22.767 7.081 1.00 0.13 O ATOM 784 CB ILE A 48 32.019 23.081 9.162 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.544 22.744 10.564 1.00 0.09 C ATOM 786 CG2 ILE A 48 31.656 24.564 9.086 1.00 0.11 C ATOM 787 CD1 ILE A 48 33.653 23.720 10.959 1.00 0.10 C ATOM 0 H ILE A 48 31.909 20.663 9.754 1.00 0.10 H new ATOM 0 HA ILE A 48 29.947 22.627 9.502 1.00 0.10 H new ATOM 0 HB ILE A 48 32.788 22.861 8.422 1.00 0.10 H new ATOM 0 HG12 ILE A 48 31.730 22.794 11.287 1.00 0.09 H new ATOM 0 HG13 ILE A 48 32.924 21.723 10.583 1.00 0.09 H new ATOM 0 HG21 ILE A 48 32.544 25.166 9.277 1.00 0.11 H new ATOM 0 HG22 ILE A 48 31.269 24.793 8.093 1.00 0.11 H new ATOM 0 HG23 ILE A 48 30.896 24.791 9.834 1.00 0.11 H new ATOM 0 HD11 ILE A 48 34.018 23.472 11.956 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.472 23.648 10.244 1.00 0.10 H new ATOM 0 HD13 ILE A 48 33.260 24.737 10.960 1.00 0.10 H new ATOM 799 N GLU A 49 31.247 21.935 6.539 1.00 0.11 N ATOM 800 CA GLU A 49 30.918 21.987 5.085 1.00 0.12 C ATOM 801 C GLU A 49 29.542 21.366 4.868 1.00 0.12 C ATOM 802 O GLU A 49 28.615 22.013 4.423 1.00 0.13 O ATOM 803 CB GLU A 49 31.948 21.169 4.318 1.00 0.13 C ATOM 804 CG GLU A 49 33.254 21.959 4.198 1.00 0.15 C ATOM 805 CD GLU A 49 33.106 23.038 3.124 1.00 0.17 C ATOM 806 OE1 GLU A 49 32.033 23.132 2.550 1.00 1.08 O ATOM 807 OE2 GLU A 49 34.068 23.752 2.892 1.00 1.09 O ATOM 0 H GLU A 49 32.172 21.568 6.762 1.00 0.11 H new ATOM 0 HA GLU A 49 30.923 23.020 4.738 1.00 0.12 H new ATOM 0 HB2 GLU A 49 32.130 20.224 4.830 1.00 0.13 H new ATOM 0 HB3 GLU A 49 31.567 20.926 3.326 1.00 0.13 H new ATOM 0 HG2 GLU A 49 33.503 22.417 5.155 1.00 0.15 H new ATOM 0 HG3 GLU A 49 34.074 21.288 3.943 1.00 0.15 H new ATOM 814 N GLU A 50 29.400 20.115 5.209 1.00 0.12 N ATOM 815 CA GLU A 50 28.081 19.449 5.057 1.00 0.13 C ATOM 816 C GLU A 50 27.053 20.318 5.761 1.00 0.12 C ATOM 817 O GLU A 50 25.875 20.253 5.498 1.00 0.12 O ATOM 818 CB GLU A 50 28.121 18.062 5.702 1.00 0.14 C ATOM 819 CG GLU A 50 26.730 17.428 5.643 1.00 0.17 C ATOM 820 CD GLU A 50 26.818 15.961 6.066 1.00 1.15 C ATOM 821 OE1 GLU A 50 27.924 15.449 6.133 1.00 1.74 O ATOM 822 OE2 GLU A 50 25.778 15.373 6.315 1.00 2.03 O ATOM 0 H GLU A 50 30.143 19.527 5.587 1.00 0.12 H new ATOM 0 HA GLU A 50 27.828 19.327 4.004 1.00 0.13 H new ATOM 0 HB2 GLU A 50 28.842 17.430 5.184 1.00 0.14 H new ATOM 0 HB3 GLU A 50 28.452 18.141 6.737 1.00 0.14 H new ATOM 0 HG2 GLU A 50 26.046 17.966 6.299 1.00 0.17 H new ATOM 0 HG3 GLU A 50 26.328 17.502 4.633 1.00 0.17 H new ATOM 829 N GLY A 51 27.513 21.151 6.649 1.00 0.11 N ATOM 830 CA GLY A 51 26.580 22.060 7.376 1.00 0.10 C ATOM 831 C GLY A 51 26.286 23.265 6.483 1.00 0.10 C ATOM 832 O GLY A 51 25.148 23.599 6.220 1.00 0.11 O ATOM 0 H GLY A 51 28.496 21.244 6.905 1.00 0.11 H new ATOM 0 HA2 GLY A 51 25.656 21.537 7.623 1.00 0.10 H new ATOM 0 HA3 GLY A 51 27.024 22.385 8.317 1.00 0.10 H new ATOM 836 N GLN A 52 27.315 23.904 5.999 1.00 0.10 N ATOM 837 CA GLN A 52 27.125 25.077 5.100 1.00 0.12 C ATOM 838 C GLN A 52 26.168 24.684 3.986 1.00 0.12 C ATOM 839 O GLN A 52 25.237 25.395 3.665 1.00 0.13 O ATOM 840 CB GLN A 52 28.478 25.471 4.507 1.00 0.14 C ATOM 841 CG GLN A 52 29.452 25.784 5.647 1.00 0.19 C ATOM 842 CD GLN A 52 29.108 27.145 6.249 1.00 0.42 C ATOM 843 OE1 GLN A 52 28.313 27.882 5.701 1.00 0.95 O ATOM 844 NE2 GLN A 52 29.676 27.513 7.363 1.00 0.39 N ATOM 0 H GLN A 52 28.287 23.662 6.189 1.00 0.10 H new ATOM 0 HA GLN A 52 26.715 25.921 5.654 1.00 0.12 H new ATOM 0 HB2 GLN A 52 28.868 24.662 3.890 1.00 0.14 H new ATOM 0 HB3 GLN A 52 28.366 26.340 3.859 1.00 0.14 H new ATOM 0 HG2 GLN A 52 29.394 25.010 6.413 1.00 0.19 H new ATOM 0 HG3 GLN A 52 30.476 25.787 5.274 1.00 0.19 H new ATOM 0 HE21 GLN A 52 30.344 26.895 7.824 1.00 0.39 H new ATOM 0 HE22 GLN A 52 29.453 28.419 7.774 1.00 0.39 H new ATOM 853 N TYR A 53 26.387 23.545 3.404 1.00 0.12 N ATOM 854 CA TYR A 53 25.482 23.088 2.315 1.00 0.13 C ATOM 855 C TYR A 53 24.051 22.979 2.871 1.00 0.13 C ATOM 856 O TYR A 53 23.107 23.444 2.263 1.00 0.15 O ATOM 857 CB TYR A 53 25.966 21.728 1.771 1.00 0.14 C ATOM 858 CG TYR A 53 24.830 21.016 1.068 1.00 0.15 C ATOM 859 CD1 TYR A 53 23.900 20.305 1.825 1.00 0.16 C ATOM 860 CD2 TYR A 53 24.697 21.080 -0.323 1.00 0.17 C ATOM 861 CE1 TYR A 53 22.833 19.655 1.205 1.00 0.18 C ATOM 862 CE2 TYR A 53 23.627 20.430 -0.952 1.00 0.19 C ATOM 863 CZ TYR A 53 22.692 19.717 -0.187 1.00 0.19 C ATOM 864 OH TYR A 53 21.638 19.077 -0.805 1.00 0.22 O ATOM 0 H TYR A 53 27.151 22.909 3.632 1.00 0.12 H new ATOM 0 HA TYR A 53 25.491 23.804 1.493 1.00 0.13 H new ATOM 0 HB2 TYR A 53 26.795 21.878 1.079 1.00 0.14 H new ATOM 0 HB3 TYR A 53 26.341 21.113 2.589 1.00 0.14 H new ATOM 0 HD1 TYR A 53 24.006 20.257 2.899 1.00 0.16 H new ATOM 0 HD2 TYR A 53 25.418 21.629 -0.911 1.00 0.17 H new ATOM 0 HE1 TYR A 53 22.117 19.105 1.797 1.00 0.18 H new ATOM 0 HE2 TYR A 53 23.522 20.478 -2.026 1.00 0.19 H new ATOM 0 HH TYR A 53 21.689 19.222 -1.773 1.00 0.22 H new ATOM 874 N VAL A 54 23.879 22.370 4.016 1.00 0.15 N ATOM 875 CA VAL A 54 22.503 22.245 4.588 1.00 0.14 C ATOM 876 C VAL A 54 21.862 23.631 4.654 1.00 0.14 C ATOM 877 O VAL A 54 20.883 23.910 3.989 1.00 0.15 O ATOM 878 CB VAL A 54 22.558 21.660 6.012 1.00 0.13 C ATOM 879 CG1 VAL A 54 21.138 21.653 6.593 1.00 0.14 C ATOM 880 CG2 VAL A 54 23.120 20.213 6.002 1.00 0.14 C ATOM 0 H VAL A 54 24.624 21.957 4.576 1.00 0.15 H new ATOM 0 HA VAL A 54 21.919 21.580 3.951 1.00 0.14 H new ATOM 0 HB VAL A 54 23.220 22.275 6.622 1.00 0.13 H new ATOM 0 HG11 VAL A 54 21.160 21.241 7.602 1.00 0.14 H new ATOM 0 HG12 VAL A 54 20.753 22.672 6.625 1.00 0.14 H new ATOM 0 HG13 VAL A 54 20.491 21.041 5.965 1.00 0.14 H new ATOM 0 HG21 VAL A 54 23.147 19.826 7.021 1.00 0.14 H new ATOM 0 HG22 VAL A 54 22.480 19.578 5.390 1.00 0.14 H new ATOM 0 HG23 VAL A 54 24.129 20.217 5.589 1.00 0.14 H new ATOM 890 N VAL A 55 22.409 24.497 5.457 1.00 0.15 N ATOM 891 CA VAL A 55 21.843 25.867 5.583 1.00 0.16 C ATOM 892 C VAL A 55 21.740 26.502 4.196 1.00 0.19 C ATOM 893 O VAL A 55 20.681 26.915 3.767 1.00 0.22 O ATOM 894 CB VAL A 55 22.769 26.709 6.470 1.00 0.19 C ATOM 895 CG1 VAL A 55 22.115 28.061 6.779 1.00 0.29 C ATOM 896 CG2 VAL A 55 23.036 25.956 7.779 1.00 0.13 C ATOM 0 H VAL A 55 23.229 24.314 6.035 1.00 0.15 H new ATOM 0 HA VAL A 55 20.850 25.820 6.031 1.00 0.16 H new ATOM 0 HB VAL A 55 23.709 26.883 5.946 1.00 0.19 H new ATOM 0 HG11 VAL A 55 22.780 28.651 7.409 1.00 0.29 H new ATOM 0 HG12 VAL A 55 21.928 28.596 5.848 1.00 0.29 H new ATOM 0 HG13 VAL A 55 21.171 27.898 7.300 1.00 0.29 H new ATOM 0 HG21 VAL A 55 23.694 26.550 8.413 1.00 0.13 H new ATOM 0 HG22 VAL A 55 22.093 25.781 8.297 1.00 0.13 H new ATOM 0 HG23 VAL A 55 23.511 25.000 7.558 1.00 0.13 H new ATOM 906 N ASN A 56 22.834 26.587 3.495 1.00 0.22 N ATOM 907 CA ASN A 56 22.805 27.201 2.138 1.00 0.27 C ATOM 908 C ASN A 56 21.738 26.513 1.286 1.00 0.26 C ATOM 909 O ASN A 56 20.862 27.151 0.736 1.00 0.33 O ATOM 910 CB ASN A 56 24.173 27.034 1.473 1.00 0.35 C ATOM 911 CG ASN A 56 24.230 27.886 0.204 1.00 0.71 C ATOM 912 OD1 ASN A 56 23.248 28.014 -0.501 1.00 1.56 O ATOM 913 ND2 ASN A 56 25.346 28.479 -0.120 1.00 0.90 N ATOM 0 H ASN A 56 23.749 26.258 3.803 1.00 0.22 H new ATOM 0 HA ASN A 56 22.570 28.262 2.226 1.00 0.27 H new ATOM 0 HB2 ASN A 56 24.963 27.334 2.161 1.00 0.35 H new ATOM 0 HB3 ASN A 56 24.345 25.986 1.228 1.00 0.35 H new ATOM 0 HD21 ASN A 56 25.394 29.049 -0.964 1.00 0.90 H new ATOM 0 HD22 ASN A 56 26.170 28.372 0.471 1.00 0.90 H new ATOM 920 N GLU A 57 21.804 25.216 1.170 1.00 0.24 N ATOM 921 CA GLU A 57 20.793 24.488 0.350 1.00 0.26 C ATOM 922 C GLU A 57 19.389 24.818 0.861 1.00 0.25 C ATOM 923 O GLU A 57 18.516 25.200 0.107 1.00 0.32 O ATOM 924 CB GLU A 57 21.040 22.979 0.463 1.00 0.29 C ATOM 925 CG GLU A 57 20.157 22.225 -0.538 1.00 0.50 C ATOM 926 CD GLU A 57 18.711 22.181 -0.033 1.00 1.58 C ATOM 927 OE1 GLU A 57 18.515 22.317 1.164 1.00 2.37 O ATOM 928 OE2 GLU A 57 17.824 22.010 -0.853 1.00 2.31 O ATOM 0 H GLU A 57 22.514 24.628 1.607 1.00 0.24 H new ATOM 0 HA GLU A 57 20.879 24.793 -0.693 1.00 0.26 H new ATOM 0 HB2 GLU A 57 22.090 22.759 0.271 1.00 0.29 H new ATOM 0 HB3 GLU A 57 20.824 22.642 1.477 1.00 0.29 H new ATOM 0 HG2 GLU A 57 20.196 22.715 -1.511 1.00 0.50 H new ATOM 0 HG3 GLU A 57 20.534 21.211 -0.676 1.00 0.50 H new ATOM 1388 N VAL B 8 12.541 20.402 11.284 1.00 0.33 N ATOM 1389 CA VAL B 8 12.604 20.518 12.767 1.00 0.39 C ATOM 1390 C VAL B 8 14.060 20.687 13.203 1.00 0.36 C ATOM 1391 O VAL B 8 14.379 21.519 14.026 1.00 0.48 O ATOM 1392 CB VAL B 8 12.024 19.256 13.409 1.00 0.50 C ATOM 1393 CG1 VAL B 8 11.754 19.521 14.891 1.00 0.98 C ATOM 1394 CG2 VAL B 8 10.714 18.884 12.710 1.00 1.19 C ATOM 0 HA VAL B 8 12.024 21.384 13.086 1.00 0.39 H new ATOM 0 HB VAL B 8 12.734 18.435 13.308 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.341 18.624 15.352 1.00 0.98 H new ATOM 0 HG12 VAL B 8 12.686 19.788 15.389 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.042 20.341 14.990 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.300 17.985 13.167 1.00 1.19 H new ATOM 0 HG22 VAL B 8 10.002 19.703 12.811 1.00 1.19 H new ATOM 0 HG23 VAL B 8 10.905 18.699 11.653 1.00 1.19 H new ATOM 1404 N PHE B 9 14.947 19.904 12.656 1.00 0.28 N ATOM 1405 CA PHE B 9 16.381 20.026 13.038 1.00 0.27 C ATOM 1406 C PHE B 9 16.804 21.491 12.940 1.00 0.25 C ATOM 1407 O PHE B 9 17.390 22.039 13.853 1.00 0.32 O ATOM 1408 CB PHE B 9 17.230 19.176 12.091 1.00 0.26 C ATOM 1409 CG PHE B 9 18.607 18.996 12.676 1.00 0.21 C ATOM 1410 CD1 PHE B 9 19.600 19.947 12.425 1.00 0.23 C ATOM 1411 CD2 PHE B 9 18.890 17.881 13.474 1.00 0.18 C ATOM 1412 CE1 PHE B 9 20.876 19.784 12.969 1.00 0.23 C ATOM 1413 CE2 PHE B 9 20.168 17.720 14.019 1.00 0.18 C ATOM 1414 CZ PHE B 9 21.160 18.672 13.766 1.00 0.20 C ATOM 0 H PHE B 9 14.741 19.186 11.962 1.00 0.28 H new ATOM 0 HA PHE B 9 16.524 19.677 14.061 1.00 0.27 H new ATOM 0 HB2 PHE B 9 16.759 18.205 11.936 1.00 0.26 H new ATOM 0 HB3 PHE B 9 17.298 19.657 11.115 1.00 0.26 H new ATOM 0 HD1 PHE B 9 19.381 20.808 11.811 1.00 0.23 H new ATOM 0 HD2 PHE B 9 18.123 17.146 13.668 1.00 0.18 H new ATOM 0 HE1 PHE B 9 21.644 20.518 12.773 1.00 0.23 H new ATOM 0 HE2 PHE B 9 20.388 16.861 14.635 1.00 0.18 H new ATOM 0 HZ PHE B 9 22.147 18.548 14.187 1.00 0.20 H new ATOM 1424 N LEU B 10 16.502 22.137 11.848 1.00 0.23 N ATOM 1425 CA LEU B 10 16.880 23.570 11.713 1.00 0.23 C ATOM 1426 C LEU B 10 16.152 24.372 12.790 1.00 0.24 C ATOM 1427 O LEU B 10 16.669 25.337 13.317 1.00 0.28 O ATOM 1428 CB LEU B 10 16.473 24.088 10.331 1.00 0.25 C ATOM 1429 CG LEU B 10 17.046 23.181 9.237 1.00 0.24 C ATOM 1430 CD1 LEU B 10 16.708 23.775 7.869 1.00 0.30 C ATOM 1431 CD2 LEU B 10 18.572 23.075 9.388 1.00 0.23 C ATOM 0 H LEU B 10 16.012 21.737 11.048 1.00 0.23 H new ATOM 0 HA LEU B 10 17.958 23.678 11.829 1.00 0.23 H new ATOM 0 HB2 LEU B 10 15.386 24.123 10.253 1.00 0.25 H new ATOM 0 HB3 LEU B 10 16.835 25.107 10.195 1.00 0.25 H new ATOM 0 HG LEU B 10 16.611 22.185 9.327 1.00 0.24 H new ATOM 0 HD11 LEU B 10 17.112 23.135 7.085 1.00 0.30 H new ATOM 0 HD12 LEU B 10 15.626 23.843 7.759 1.00 0.30 H new ATOM 0 HD13 LEU B 10 17.145 24.770 7.787 1.00 0.30 H new ATOM 0 HD21 LEU B 10 18.971 22.428 8.606 1.00 0.23 H new ATOM 0 HD22 LEU B 10 19.016 24.067 9.300 1.00 0.23 H new ATOM 0 HD23 LEU B 10 18.813 22.655 10.364 1.00 0.23 H new ATOM 1443 N ASP B 11 14.955 23.976 13.126 1.00 0.23 N ATOM 1444 CA ASP B 11 14.199 24.714 14.175 1.00 0.25 C ATOM 1445 C ASP B 11 15.055 24.794 15.439 1.00 0.22 C ATOM 1446 O ASP B 11 15.342 25.863 15.940 1.00 0.30 O ATOM 1447 CB ASP B 11 12.887 23.980 14.483 1.00 0.30 C ATOM 1448 CG ASP B 11 11.920 24.931 15.192 1.00 0.97 C ATOM 1449 OD1 ASP B 11 12.384 25.729 15.989 1.00 1.67 O ATOM 1450 OD2 ASP B 11 10.733 24.845 14.925 1.00 1.67 O ATOM 0 H ASP B 11 14.470 23.176 12.721 1.00 0.23 H new ATOM 0 HA ASP B 11 13.967 25.719 13.823 1.00 0.25 H new ATOM 0 HB2 ASP B 11 12.439 23.612 13.560 1.00 0.30 H new ATOM 0 HB3 ASP B 11 13.084 23.111 15.111 1.00 0.30 H new ATOM 1455 N TYR B 12 15.471 23.669 15.957 1.00 0.17 N ATOM 1456 CA TYR B 12 16.313 23.687 17.183 1.00 0.15 C ATOM 1457 C TYR B 12 17.486 24.642 16.971 1.00 0.16 C ATOM 1458 O TYR B 12 17.718 25.542 17.753 1.00 0.23 O ATOM 1459 CB TYR B 12 16.845 22.274 17.468 1.00 0.14 C ATOM 1460 CG TYR B 12 15.707 21.368 17.907 1.00 0.17 C ATOM 1461 CD1 TYR B 12 14.975 21.664 19.065 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.387 20.229 17.157 1.00 0.20 C ATOM 1463 CE1 TYR B 12 13.929 20.826 19.468 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.340 19.392 17.561 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.611 19.690 18.716 1.00 0.27 C ATOM 1466 OH TYR B 12 12.580 18.865 19.115 1.00 0.32 O ATOM 0 H TYR B 12 15.264 22.743 15.584 1.00 0.17 H new ATOM 0 HA TYR B 12 15.715 24.021 18.031 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.320 21.868 16.575 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.609 22.314 18.244 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.219 22.540 19.647 1.00 0.23 H new ATOM 0 HD2 TYR B 12 15.949 19.996 16.265 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.367 21.057 20.361 1.00 0.27 H new ATOM 0 HE2 TYR B 12 14.095 18.515 16.980 1.00 0.24 H new ATOM 0 HH TYR B 12 12.491 18.123 18.481 1.00 0.32 H new ATOM 1476 N CYS B 13 18.221 24.454 15.912 1.00 0.19 N ATOM 1477 CA CYS B 13 19.379 25.347 15.628 1.00 0.24 C ATOM 1478 C CYS B 13 18.958 26.802 15.819 1.00 0.26 C ATOM 1479 O CYS B 13 19.654 27.587 16.433 1.00 0.33 O ATOM 1480 CB CYS B 13 19.835 25.136 14.185 1.00 0.30 C ATOM 1481 SG CYS B 13 20.394 23.429 13.968 1.00 1.27 S ATOM 0 H CYS B 13 18.069 23.715 15.226 1.00 0.19 H new ATOM 0 HA CYS B 13 20.197 25.113 16.309 1.00 0.24 H new ATOM 0 HB2 CYS B 13 19.016 25.351 13.499 1.00 0.30 H new ATOM 0 HB3 CYS B 13 20.642 25.827 13.943 1.00 0.30 H new ATOM 0 HG CYS B 13 19.363 22.641 13.893 1.00 1.27 H new ATOM 1487 N GLN B 14 17.818 27.165 15.303 1.00 0.24 N ATOM 1488 CA GLN B 14 17.343 28.564 15.459 1.00 0.27 C ATOM 1489 C GLN B 14 17.449 28.965 16.932 1.00 0.24 C ATOM 1490 O GLN B 14 18.069 29.950 17.273 1.00 0.29 O ATOM 1491 CB GLN B 14 15.887 28.663 15.000 1.00 0.32 C ATOM 1492 CG GLN B 14 15.509 30.133 14.826 1.00 0.62 C ATOM 1493 CD GLN B 14 14.092 30.234 14.260 1.00 0.88 C ATOM 1494 OE1 GLN B 14 13.598 29.303 13.656 1.00 1.69 O ATOM 1495 NE2 GLN B 14 13.412 31.336 14.428 1.00 1.44 N ATOM 0 H GLN B 14 17.194 26.551 14.779 1.00 0.24 H new ATOM 0 HA GLN B 14 17.955 29.232 14.853 1.00 0.27 H new ATOM 0 HB2 GLN B 14 15.753 28.128 14.060 1.00 0.32 H new ATOM 0 HB3 GLN B 14 15.231 28.191 15.731 1.00 0.32 H new ATOM 0 HG2 GLN B 14 15.567 30.650 15.784 1.00 0.62 H new ATOM 0 HG3 GLN B 14 16.215 30.624 14.156 1.00 0.62 H new ATOM 0 HE21 GLN B 14 13.826 32.118 14.935 1.00 1.44 H new ATOM 0 HE22 GLN B 14 12.467 31.414 14.052 1.00 1.44 H new ATOM 1504 N LYS B 15 16.858 28.204 17.811 1.00 0.23 N ATOM 1505 CA LYS B 15 16.943 28.545 19.257 1.00 0.23 C ATOM 1506 C LYS B 15 18.417 28.682 19.646 1.00 0.20 C ATOM 1507 O LYS B 15 18.843 29.700 20.156 1.00 0.23 O ATOM 1508 CB LYS B 15 16.278 27.439 20.085 1.00 0.24 C ATOM 1509 CG LYS B 15 14.755 27.515 19.902 1.00 0.55 C ATOM 1510 CD LYS B 15 14.038 26.575 20.891 1.00 1.19 C ATOM 1511 CE LYS B 15 13.945 25.167 20.300 1.00 1.47 C ATOM 1512 NZ LYS B 15 13.332 24.247 21.299 1.00 2.21 N ATOM 0 H LYS B 15 16.322 27.364 17.591 1.00 0.23 H new ATOM 0 HA LYS B 15 16.427 29.485 19.451 1.00 0.23 H new ATOM 0 HB2 LYS B 15 16.645 26.462 19.770 1.00 0.24 H new ATOM 0 HB3 LYS B 15 16.536 27.552 21.138 1.00 0.24 H new ATOM 0 HG2 LYS B 15 14.416 28.539 20.056 1.00 0.55 H new ATOM 0 HG3 LYS B 15 14.493 27.243 18.880 1.00 0.55 H new ATOM 0 HD2 LYS B 15 14.580 26.547 21.836 1.00 1.19 H new ATOM 0 HD3 LYS B 15 13.039 26.954 21.107 1.00 1.19 H new ATOM 0 HE2 LYS B 15 13.347 25.182 19.389 1.00 1.47 H new ATOM 0 HE3 LYS B 15 14.937 24.811 20.023 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 13.269 23.290 20.897 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 13.920 24.224 22.157 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 12.379 24.584 21.542 1.00 2.21 H new ATOM 1526 N LEU B 16 19.203 27.670 19.396 1.00 0.18 N ATOM 1527 CA LEU B 16 20.653 27.743 19.734 1.00 0.17 C ATOM 1528 C LEU B 16 21.225 29.064 19.201 1.00 0.18 C ATOM 1529 O LEU B 16 22.200 29.584 19.705 1.00 0.23 O ATOM 1530 CB LEU B 16 21.370 26.546 19.068 1.00 0.15 C ATOM 1531 CG LEU B 16 22.413 25.939 20.019 1.00 0.15 C ATOM 1532 CD1 LEU B 16 21.710 25.243 21.211 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.264 24.938 19.229 1.00 0.18 C ATOM 0 H LEU B 16 18.902 26.793 18.971 1.00 0.18 H new ATOM 0 HA LEU B 16 20.799 27.703 20.813 1.00 0.17 H new ATOM 0 HB2 LEU B 16 20.639 25.787 18.790 1.00 0.15 H new ATOM 0 HB3 LEU B 16 21.856 26.873 18.148 1.00 0.15 H new ATOM 0 HG LEU B 16 23.053 26.723 20.423 1.00 0.15 H new ATOM 0 HD11 LEU B 16 22.460 24.817 21.877 1.00 0.25 H new ATOM 0 HD12 LEU B 16 21.112 25.973 21.757 1.00 0.25 H new ATOM 0 HD13 LEU B 16 21.063 24.449 20.838 1.00 0.25 H new ATOM 0 HD21 LEU B 16 24.011 24.496 19.888 1.00 0.18 H new ATOM 0 HD22 LEU B 16 22.623 24.152 18.828 1.00 0.18 H new ATOM 0 HD23 LEU B 16 23.763 25.453 18.408 1.00 0.18 H new ATOM 1545 N LEU B 17 20.627 29.592 18.172 1.00 0.17 N ATOM 1546 CA LEU B 17 21.123 30.862 17.577 1.00 0.19 C ATOM 1547 C LEU B 17 20.574 32.062 18.358 1.00 0.22 C ATOM 1548 O LEU B 17 21.295 32.981 18.692 1.00 0.30 O ATOM 1549 CB LEU B 17 20.648 30.930 16.119 1.00 0.19 C ATOM 1550 CG LEU B 17 21.511 31.922 15.314 1.00 0.22 C ATOM 1551 CD1 LEU B 17 22.771 31.219 14.792 1.00 0.14 C ATOM 1552 CD2 LEU B 17 20.712 32.451 14.115 1.00 0.33 C ATOM 0 H LEU B 17 19.808 29.194 17.713 1.00 0.17 H new ATOM 0 HA LEU B 17 22.212 30.891 17.621 1.00 0.19 H new ATOM 0 HB2 LEU B 17 20.704 29.940 15.666 1.00 0.19 H new ATOM 0 HB3 LEU B 17 19.603 31.238 16.085 1.00 0.19 H new ATOM 0 HG LEU B 17 21.794 32.747 15.967 1.00 0.22 H new ATOM 0 HD11 LEU B 17 23.374 31.928 14.225 1.00 0.14 H new ATOM 0 HD12 LEU B 17 23.351 30.840 15.633 1.00 0.14 H new ATOM 0 HD13 LEU B 17 22.484 30.389 14.147 1.00 0.14 H new ATOM 0 HD21 LEU B 17 21.326 33.152 13.549 1.00 0.33 H new ATOM 0 HD22 LEU B 17 20.426 31.618 13.472 1.00 0.33 H new ATOM 0 HD23 LEU B 17 19.816 32.959 14.471 1.00 0.33 H new ATOM 1564 N GLU B 18 19.303 32.063 18.639 1.00 0.20 N ATOM 1565 CA GLU B 18 18.699 33.206 19.385 1.00 0.24 C ATOM 1566 C GLU B 18 19.352 33.341 20.758 1.00 0.22 C ATOM 1567 O GLU B 18 19.875 34.380 21.111 1.00 0.26 O ATOM 1568 CB GLU B 18 17.202 32.957 19.582 1.00 0.30 C ATOM 1569 CG GLU B 18 16.528 32.718 18.230 1.00 1.05 C ATOM 1570 CD GLU B 18 16.324 34.052 17.509 1.00 1.67 C ATOM 1571 OE1 GLU B 18 17.313 34.639 17.101 1.00 2.29 O ATOM 1572 OE2 GLU B 18 15.183 34.464 17.378 1.00 2.17 O ATOM 0 H GLU B 18 18.652 31.320 18.385 1.00 0.20 H new ATOM 0 HA GLU B 18 18.857 34.119 18.811 1.00 0.24 H new ATOM 0 HB2 GLU B 18 17.051 32.094 20.230 1.00 0.30 H new ATOM 0 HB3 GLU B 18 16.745 33.813 20.079 1.00 0.30 H new ATOM 0 HG2 GLU B 18 17.141 32.055 17.620 1.00 1.05 H new ATOM 0 HG3 GLU B 18 15.568 32.222 18.375 1.00 1.05 H new ATOM 1579 N LYS B 19 19.308 32.303 21.543 1.00 0.19 N ATOM 1580 CA LYS B 19 19.900 32.362 22.901 1.00 0.20 C ATOM 1581 C LYS B 19 21.295 32.993 22.841 1.00 0.19 C ATOM 1582 O LYS B 19 21.587 33.935 23.551 1.00 0.26 O ATOM 1583 CB LYS B 19 19.982 30.932 23.452 1.00 0.21 C ATOM 1584 CG LYS B 19 18.659 30.550 24.126 1.00 0.29 C ATOM 1585 CD LYS B 19 18.631 29.040 24.377 1.00 0.33 C ATOM 1586 CE LYS B 19 17.538 28.709 25.396 1.00 0.95 C ATOM 1587 NZ LYS B 19 17.912 29.269 26.725 1.00 1.68 N ATOM 0 H LYS B 19 18.883 31.409 21.297 1.00 0.19 H new ATOM 0 HA LYS B 19 19.281 32.976 23.555 1.00 0.20 H new ATOM 0 HB2 LYS B 19 20.202 30.235 22.644 1.00 0.21 H new ATOM 0 HB3 LYS B 19 20.799 30.857 24.169 1.00 0.21 H new ATOM 0 HG2 LYS B 19 18.550 31.088 25.068 1.00 0.29 H new ATOM 0 HG3 LYS B 19 17.820 30.840 23.494 1.00 0.29 H new ATOM 0 HD2 LYS B 19 18.444 28.509 23.443 1.00 0.33 H new ATOM 0 HD3 LYS B 19 19.600 28.704 24.746 1.00 0.33 H new ATOM 0 HE2 LYS B 19 16.584 29.124 25.070 1.00 0.95 H new ATOM 0 HE3 LYS B 19 17.408 27.629 25.468 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 17.469 28.703 27.477 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 18.946 29.242 26.835 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 17.582 30.253 26.792 1.00 1.68 H new ATOM 1601 N PHE B 20 22.156 32.498 21.998 1.00 0.15 N ATOM 1602 CA PHE B 20 23.513 33.089 21.900 1.00 0.15 C ATOM 1603 C PHE B 20 23.437 34.317 20.993 1.00 0.16 C ATOM 1604 O PHE B 20 24.429 34.946 20.683 1.00 0.25 O ATOM 1605 CB PHE B 20 24.462 32.055 21.307 1.00 0.14 C ATOM 1606 CG PHE B 20 24.675 30.938 22.303 1.00 0.13 C ATOM 1607 CD1 PHE B 20 23.669 29.984 22.498 1.00 0.14 C ATOM 1608 CD2 PHE B 20 25.874 30.850 23.031 1.00 0.14 C ATOM 1609 CE1 PHE B 20 23.856 28.944 23.414 1.00 0.14 C ATOM 1610 CE2 PHE B 20 26.058 29.807 23.947 1.00 0.15 C ATOM 1611 CZ PHE B 20 25.049 28.855 24.138 1.00 0.14 C ATOM 0 H PHE B 20 21.977 31.711 21.375 1.00 0.15 H new ATOM 0 HA PHE B 20 23.880 33.383 22.884 1.00 0.15 H new ATOM 0 HB2 PHE B 20 24.050 31.657 20.380 1.00 0.14 H new ATOM 0 HB3 PHE B 20 25.415 32.521 21.058 1.00 0.14 H new ATOM 0 HD1 PHE B 20 22.747 30.051 21.940 1.00 0.14 H new ATOM 0 HD2 PHE B 20 26.652 31.585 22.884 1.00 0.14 H new ATOM 0 HE1 PHE B 20 23.079 28.209 23.562 1.00 0.14 H new ATOM 0 HE2 PHE B 20 26.979 29.737 24.507 1.00 0.15 H new ATOM 0 HZ PHE B 20 25.192 28.051 24.845 1.00 0.14 H new ATOM 1621 N ARG B 21 22.248 34.663 20.579 1.00 0.15 N ATOM 1622 CA ARG B 21 22.060 35.857 19.702 1.00 0.17 C ATOM 1623 C ARG B 21 23.105 35.888 18.578 1.00 0.14 C ATOM 1624 O ARG B 21 23.650 36.928 18.267 1.00 0.18 O ATOM 1625 CB ARG B 21 22.191 37.126 20.547 1.00 0.23 C ATOM 1626 CG ARG B 21 21.286 37.018 21.776 1.00 0.58 C ATOM 1627 CD ARG B 21 21.269 38.357 22.517 1.00 1.16 C ATOM 1628 NE ARG B 21 20.460 39.342 21.745 1.00 1.87 N ATOM 1629 CZ ARG B 21 20.056 40.444 22.316 1.00 2.62 C ATOM 1630 NH1 ARG B 21 20.356 40.681 23.564 1.00 2.94 N ATOM 1631 NH2 ARG B 21 19.351 41.309 21.640 1.00 3.56 N ATOM 0 H ARG B 21 21.389 34.165 20.813 1.00 0.15 H new ATOM 0 HA ARG B 21 21.070 35.802 19.250 1.00 0.17 H new ATOM 0 HB2 ARG B 21 23.227 37.264 20.856 1.00 0.23 H new ATOM 0 HB3 ARG B 21 21.916 37.999 19.956 1.00 0.23 H new ATOM 0 HG2 ARG B 21 20.275 36.745 21.473 1.00 0.58 H new ATOM 0 HG3 ARG B 21 21.645 36.229 22.437 1.00 0.58 H new ATOM 0 HD2 ARG B 21 20.849 38.227 23.514 1.00 1.16 H new ATOM 0 HD3 ARG B 21 22.286 38.727 22.645 1.00 1.16 H new ATOM 0 HE ARG B 21 20.222 39.155 20.771 1.00 1.87 H new ATOM 0 HH11 ARG B 21 20.906 40.005 24.093 1.00 2.94 H new ATOM 0 HH12 ARG B 21 20.040 41.542 24.010 1.00 2.94 H new ATOM 0 HH21 ARG B 21 19.115 41.124 20.665 1.00 3.56 H new ATOM 0 HH22 ARG B 21 19.035 42.170 22.087 1.00 3.56 H new ATOM 1645 N TYR B 22 23.383 34.773 17.951 1.00 0.14 N ATOM 1646 CA TYR B 22 24.383 34.781 16.839 1.00 0.13 C ATOM 1647 C TYR B 22 23.673 35.240 15.542 1.00 0.15 C ATOM 1648 O TYR B 22 22.481 35.041 15.413 1.00 0.16 O ATOM 1649 CB TYR B 22 24.927 33.356 16.628 1.00 0.12 C ATOM 1650 CG TYR B 22 26.081 33.050 17.577 1.00 0.13 C ATOM 1651 CD1 TYR B 22 27.233 33.861 17.606 1.00 0.14 C ATOM 1652 CD2 TYR B 22 26.002 31.935 18.424 1.00 0.14 C ATOM 1653 CE1 TYR B 22 28.286 33.552 18.475 1.00 0.17 C ATOM 1654 CE2 TYR B 22 27.058 31.631 19.290 1.00 0.17 C ATOM 1655 CZ TYR B 22 28.197 32.440 19.315 1.00 0.18 C ATOM 1656 OH TYR B 22 29.237 32.139 20.168 1.00 0.21 O ATOM 0 H TYR B 22 22.966 33.865 18.158 1.00 0.14 H new ATOM 0 HA TYR B 22 25.204 35.454 17.084 1.00 0.13 H new ATOM 0 HB2 TYR B 22 24.126 32.633 16.783 1.00 0.12 H new ATOM 0 HB3 TYR B 22 25.263 33.243 15.597 1.00 0.12 H new ATOM 0 HD1 TYR B 22 27.304 34.722 16.957 1.00 0.14 H new ATOM 0 HD2 TYR B 22 25.122 31.308 18.408 1.00 0.14 H new ATOM 0 HE1 TYR B 22 29.168 34.174 18.496 1.00 0.17 H new ATOM 0 HE2 TYR B 22 26.993 30.771 19.939 1.00 0.17 H new ATOM 0 HH TYR B 22 29.695 31.332 19.853 1.00 0.21 H new ATOM 1666 N PRO B 23 24.406 35.814 14.599 1.00 0.16 N ATOM 1667 CA PRO B 23 23.804 36.250 13.322 1.00 0.18 C ATOM 1668 C PRO B 23 23.247 35.030 12.572 1.00 0.19 C ATOM 1669 O PRO B 23 23.404 33.903 12.995 1.00 0.19 O ATOM 1670 CB PRO B 23 24.959 36.909 12.533 1.00 0.19 C ATOM 1671 CG PRO B 23 26.258 36.710 13.361 1.00 0.17 C ATOM 1672 CD PRO B 23 25.856 36.082 14.716 1.00 0.15 C ATOM 0 HA PRO B 23 22.975 36.944 13.462 1.00 0.18 H new ATOM 0 HB2 PRO B 23 25.059 36.455 11.547 1.00 0.19 H new ATOM 0 HB3 PRO B 23 24.762 37.970 12.377 1.00 0.19 H new ATOM 0 HG2 PRO B 23 26.955 36.062 12.830 1.00 0.17 H new ATOM 0 HG3 PRO B 23 26.764 37.663 13.515 1.00 0.17 H new ATOM 0 HD2 PRO B 23 26.413 35.164 14.906 1.00 0.15 H new ATOM 0 HD3 PRO B 23 26.067 36.760 15.543 1.00 0.15 H new ATOM 1680 N TRP B 24 22.601 35.255 11.463 1.00 0.22 N ATOM 1681 CA TRP B 24 22.025 34.122 10.678 1.00 0.24 C ATOM 1682 C TRP B 24 23.122 33.429 9.862 1.00 0.25 C ATOM 1683 O TRP B 24 22.930 32.346 9.345 1.00 0.34 O ATOM 1684 CB TRP B 24 20.952 34.663 9.730 1.00 0.28 C ATOM 1685 CG TRP B 24 20.425 33.552 8.879 1.00 0.53 C ATOM 1686 CD1 TRP B 24 20.725 33.364 7.574 1.00 1.45 C ATOM 1687 CD2 TRP B 24 19.514 32.476 9.249 1.00 0.35 C ATOM 1688 NE1 TRP B 24 20.056 32.243 7.118 1.00 1.68 N ATOM 1689 CE2 TRP B 24 19.297 31.661 8.113 1.00 0.93 C ATOM 1690 CE3 TRP B 24 18.862 32.132 10.447 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 18.462 30.544 8.164 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 18.021 31.009 10.501 1.00 1.15 C ATOM 1693 CH2 TRP B 24 17.822 30.217 9.361 1.00 0.63 C ATOM 0 H TRP B 24 22.445 36.180 11.062 1.00 0.22 H new ATOM 0 HA TRP B 24 21.586 33.398 11.365 1.00 0.24 H new ATOM 0 HB2 TRP B 24 20.140 35.112 10.302 1.00 0.28 H new ATOM 0 HB3 TRP B 24 21.371 35.448 9.101 1.00 0.28 H new ATOM 0 HD1 TRP B 24 21.380 33.988 6.984 1.00 1.45 H new ATOM 0 HE1 TRP B 24 20.116 31.889 6.163 1.00 1.68 H new ATOM 0 HE3 TRP B 24 19.009 32.735 11.331 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 18.312 29.937 7.284 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 17.525 30.754 11.426 1.00 1.15 H new ATOM 0 HH2 TRP B 24 17.174 29.354 9.409 1.00 0.63 H new ATOM 1704 N GLU B 25 24.262 34.045 9.726 1.00 0.21 N ATOM 1705 CA GLU B 25 25.356 33.421 8.926 1.00 0.24 C ATOM 1706 C GLU B 25 26.003 32.264 9.699 1.00 0.21 C ATOM 1707 O GLU B 25 26.697 31.446 9.128 1.00 0.24 O ATOM 1708 CB GLU B 25 26.417 34.478 8.613 1.00 0.31 C ATOM 1709 CG GLU B 25 27.486 33.878 7.697 1.00 1.20 C ATOM 1710 CD GLU B 25 28.408 34.989 7.191 1.00 1.43 C ATOM 1711 OE1 GLU B 25 27.963 35.773 6.368 1.00 1.99 O ATOM 1712 OE2 GLU B 25 29.543 35.039 7.636 1.00 1.86 O ATOM 0 H GLU B 25 24.485 34.953 10.133 1.00 0.21 H new ATOM 0 HA GLU B 25 24.933 33.028 8.001 1.00 0.24 H new ATOM 0 HB2 GLU B 25 25.955 35.340 8.133 1.00 0.31 H new ATOM 0 HB3 GLU B 25 26.873 34.834 9.537 1.00 0.31 H new ATOM 0 HG2 GLU B 25 28.065 33.129 8.238 1.00 1.20 H new ATOM 0 HG3 GLU B 25 27.015 33.370 6.855 1.00 1.20 H new ATOM 1719 N LEU B 26 25.799 32.187 10.992 1.00 0.16 N ATOM 1720 CA LEU B 26 26.426 31.080 11.788 1.00 0.15 C ATOM 1721 C LEU B 26 25.443 29.926 11.977 1.00 0.15 C ATOM 1722 O LEU B 26 25.514 29.197 12.946 1.00 0.19 O ATOM 1723 CB LEU B 26 26.838 31.605 13.162 1.00 0.13 C ATOM 1724 CG LEU B 26 27.570 32.940 13.020 1.00 0.13 C ATOM 1725 CD1 LEU B 26 28.215 33.293 14.358 1.00 0.14 C ATOM 1726 CD2 LEU B 26 28.659 32.833 11.943 1.00 0.14 C ATOM 0 H LEU B 26 25.228 32.839 11.530 1.00 0.16 H new ATOM 0 HA LEU B 26 27.299 30.720 11.244 1.00 0.15 H new ATOM 0 HB2 LEU B 26 25.956 31.730 13.791 1.00 0.13 H new ATOM 0 HB3 LEU B 26 27.483 30.880 13.658 1.00 0.13 H new ATOM 0 HG LEU B 26 26.860 33.714 12.729 1.00 0.13 H new ATOM 0 HD11 LEU B 26 28.740 34.244 14.269 1.00 0.14 H new ATOM 0 HD12 LEU B 26 27.443 33.375 15.123 1.00 0.14 H new ATOM 0 HD13 LEU B 26 28.922 32.512 14.638 1.00 0.14 H new ATOM 0 HD21 LEU B 26 29.174 33.789 11.850 1.00 0.14 H new ATOM 0 HD22 LEU B 26 29.375 32.061 12.225 1.00 0.14 H new ATOM 0 HD23 LEU B 26 28.202 32.573 10.988 1.00 0.14 H new ATOM 1738 N MET B 27 24.534 29.739 11.064 1.00 0.15 N ATOM 1739 CA MET B 27 23.575 28.617 11.214 1.00 0.17 C ATOM 1740 C MET B 27 24.286 27.255 10.987 1.00 0.14 C ATOM 1741 O MET B 27 23.969 26.305 11.675 1.00 0.19 O ATOM 1742 CB MET B 27 22.395 28.801 10.232 1.00 0.20 C ATOM 1743 CG MET B 27 21.286 29.631 10.892 1.00 0.39 C ATOM 1744 SD MET B 27 20.507 28.673 12.220 1.00 1.31 S ATOM 1745 CE MET B 27 19.487 27.588 11.188 1.00 0.45 C ATOM 0 H MET B 27 24.415 30.310 10.227 1.00 0.15 H new ATOM 0 HA MET B 27 23.182 28.619 12.231 1.00 0.17 H new ATOM 0 HB2 MET B 27 22.740 29.297 9.325 1.00 0.20 H new ATOM 0 HB3 MET B 27 22.004 27.828 9.934 1.00 0.20 H new ATOM 0 HG2 MET B 27 21.701 30.555 11.294 1.00 0.39 H new ATOM 0 HG3 MET B 27 20.540 29.913 10.149 1.00 0.39 H new ATOM 0 HE1 MET B 27 18.441 27.691 11.475 1.00 0.45 H new ATOM 0 HE2 MET B 27 19.605 27.866 10.141 1.00 0.45 H new ATOM 0 HE3 MET B 27 19.801 26.553 11.327 1.00 0.45 H new ATOM 1755 N PRO B 28 25.224 27.169 10.048 1.00 0.09 N ATOM 1756 CA PRO B 28 25.936 25.894 9.795 1.00 0.09 C ATOM 1757 C PRO B 28 26.652 25.411 11.066 1.00 0.09 C ATOM 1758 O PRO B 28 26.799 24.227 11.290 1.00 0.14 O ATOM 1759 CB PRO B 28 26.938 26.222 8.664 1.00 0.10 C ATOM 1760 CG PRO B 28 26.530 27.607 8.099 1.00 0.12 C ATOM 1761 CD PRO B 28 25.652 28.281 9.167 1.00 0.12 C ATOM 0 HA PRO B 28 25.261 25.086 9.511 1.00 0.09 H new ATOM 0 HB2 PRO B 28 27.959 26.244 9.045 1.00 0.10 H new ATOM 0 HB3 PRO B 28 26.905 25.461 7.885 1.00 0.10 H new ATOM 0 HG2 PRO B 28 27.411 28.212 7.885 1.00 0.12 H new ATOM 0 HG3 PRO B 28 25.983 27.497 7.162 1.00 0.12 H new ATOM 0 HD2 PRO B 28 26.210 29.035 9.722 1.00 0.12 H new ATOM 0 HD3 PRO B 28 24.796 28.784 8.718 1.00 0.12 H new ATOM 1769 N LEU B 29 27.092 26.308 11.904 1.00 0.10 N ATOM 1770 CA LEU B 29 27.781 25.870 13.150 1.00 0.09 C ATOM 1771 C LEU B 29 26.731 25.354 14.133 1.00 0.10 C ATOM 1772 O LEU B 29 26.912 24.337 14.771 1.00 0.16 O ATOM 1773 CB LEU B 29 28.547 27.043 13.765 1.00 0.08 C ATOM 1774 CG LEU B 29 29.363 27.744 12.675 1.00 0.09 C ATOM 1775 CD1 LEU B 29 30.206 28.857 13.304 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.284 26.724 11.989 1.00 0.09 C ATOM 0 H LEU B 29 27.006 27.317 11.782 1.00 0.10 H new ATOM 0 HA LEU B 29 28.493 25.077 12.921 1.00 0.09 H new ATOM 0 HB2 LEU B 29 27.851 27.746 14.223 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.207 26.686 14.556 1.00 0.08 H new ATOM 0 HG LEU B 29 28.688 28.176 11.936 1.00 0.09 H new ATOM 0 HD11 LEU B 29 30.787 29.356 12.528 1.00 0.12 H new ATOM 0 HD12 LEU B 29 29.550 29.581 13.788 1.00 0.12 H new ATOM 0 HD13 LEU B 29 30.882 28.428 14.044 1.00 0.12 H new ATOM 0 HD21 LEU B 29 30.865 27.223 11.213 1.00 0.09 H new ATOM 0 HD22 LEU B 29 30.960 26.290 12.726 1.00 0.09 H new ATOM 0 HD23 LEU B 29 29.682 25.934 11.540 1.00 0.09 H new ATOM 1788 N MET B 30 25.622 26.033 14.240 1.00 0.10 N ATOM 1789 CA MET B 30 24.553 25.562 15.158 1.00 0.12 C ATOM 1790 C MET B 30 24.021 24.234 14.621 1.00 0.10 C ATOM 1791 O MET B 30 23.413 23.457 15.330 1.00 0.13 O ATOM 1792 CB MET B 30 23.420 26.593 15.188 1.00 0.16 C ATOM 1793 CG MET B 30 23.799 27.748 16.114 1.00 0.19 C ATOM 1794 SD MET B 30 25.365 28.472 15.561 1.00 1.23 S ATOM 1795 CE MET B 30 26.107 28.718 17.193 1.00 0.22 C ATOM 0 H MET B 30 25.412 26.892 13.731 1.00 0.10 H new ATOM 0 HA MET B 30 24.944 25.434 16.167 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.230 26.968 14.182 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.498 26.125 15.533 1.00 0.16 H new ATOM 0 HG2 MET B 30 23.014 28.504 16.110 1.00 0.19 H new ATOM 0 HG3 MET B 30 23.893 27.391 17.140 1.00 0.19 H new ATOM 0 HE1 MET B 30 26.980 29.364 17.102 1.00 0.22 H new ATOM 0 HE2 MET B 30 25.379 29.184 17.857 1.00 0.22 H new ATOM 0 HE3 MET B 30 26.409 27.755 17.604 1.00 0.22 H new ATOM 1805 N TYR B 31 24.248 23.981 13.362 1.00 0.08 N ATOM 1806 CA TYR B 31 23.765 22.715 12.746 1.00 0.08 C ATOM 1807 C TYR B 31 24.688 21.562 13.148 1.00 0.08 C ATOM 1808 O TYR B 31 24.240 20.482 13.479 1.00 0.09 O ATOM 1809 CB TYR B 31 23.767 22.868 11.220 1.00 0.09 C ATOM 1810 CG TYR B 31 23.482 21.538 10.563 1.00 0.09 C ATOM 1811 CD1 TYR B 31 22.162 21.150 10.308 1.00 0.10 C ATOM 1812 CD2 TYR B 31 24.541 20.696 10.206 1.00 0.10 C ATOM 1813 CE1 TYR B 31 21.901 19.917 9.698 1.00 0.11 C ATOM 1814 CE2 TYR B 31 24.281 19.465 9.596 1.00 0.11 C ATOM 1815 CZ TYR B 31 22.961 19.074 9.342 1.00 0.11 C ATOM 1816 OH TYR B 31 22.704 17.859 8.742 1.00 0.13 O ATOM 0 H TYR B 31 24.752 24.603 12.729 1.00 0.08 H new ATOM 0 HA TYR B 31 22.754 22.501 13.093 1.00 0.08 H new ATOM 0 HB2 TYR B 31 23.016 23.599 10.919 1.00 0.09 H new ATOM 0 HB3 TYR B 31 24.733 23.247 10.886 1.00 0.09 H new ATOM 0 HD1 TYR B 31 21.345 21.801 10.582 1.00 0.10 H new ATOM 0 HD2 TYR B 31 25.560 20.997 10.402 1.00 0.10 H new ATOM 0 HE1 TYR B 31 20.882 19.616 9.502 1.00 0.11 H new ATOM 0 HE2 TYR B 31 25.099 18.816 9.321 1.00 0.11 H new ATOM 0 HH TYR B 31 23.550 17.399 8.559 1.00 0.13 H new ATOM 1826 N VAL B 32 25.973 21.780 13.114 1.00 0.08 N ATOM 1827 CA VAL B 32 26.921 20.693 13.484 1.00 0.08 C ATOM 1828 C VAL B 32 26.847 20.430 14.989 1.00 0.08 C ATOM 1829 O VAL B 32 26.696 19.306 15.424 1.00 0.10 O ATOM 1830 CB VAL B 32 28.345 21.108 13.104 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.331 20.036 13.578 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.443 21.264 11.579 1.00 0.08 C ATOM 0 H VAL B 32 26.407 22.663 12.846 1.00 0.08 H new ATOM 0 HA VAL B 32 26.652 19.782 12.949 1.00 0.08 H new ATOM 0 HB VAL B 32 28.588 22.058 13.580 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.345 20.330 13.308 1.00 0.08 H new ATOM 0 HG12 VAL B 32 29.260 19.929 14.660 1.00 0.08 H new ATOM 0 HG13 VAL B 32 29.090 19.085 13.103 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.457 21.559 11.308 1.00 0.08 H new ATOM 0 HG22 VAL B 32 28.201 20.315 11.100 1.00 0.08 H new ATOM 0 HG23 VAL B 32 27.741 22.028 11.246 1.00 0.08 H new ATOM 1842 N ILE B 33 26.957 21.453 15.790 1.00 0.08 N ATOM 1843 CA ILE B 33 26.897 21.253 17.263 1.00 0.08 C ATOM 1844 C ILE B 33 25.689 20.362 17.616 1.00 0.09 C ATOM 1845 O ILE B 33 25.842 19.313 18.209 1.00 0.10 O ATOM 1846 CB ILE B 33 26.802 22.627 17.934 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.148 23.343 17.774 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.495 22.466 19.418 1.00 0.09 C ATOM 1849 CD1 ILE B 33 28.022 24.813 18.186 1.00 0.08 C ATOM 0 H ILE B 33 27.086 22.419 15.487 1.00 0.08 H new ATOM 0 HA ILE B 33 27.793 20.748 17.623 1.00 0.08 H new ATOM 0 HB ILE B 33 26.004 23.205 17.468 1.00 0.08 H new ATOM 0 HG12 ILE B 33 28.904 22.851 18.385 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.482 23.276 16.739 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.430 23.449 19.885 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.546 21.943 19.539 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.289 21.891 19.894 1.00 0.09 H new ATOM 0 HD11 ILE B 33 28.986 25.308 18.067 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.281 25.305 17.556 1.00 0.08 H new ATOM 0 HD13 ILE B 33 27.710 24.873 19.229 1.00 0.08 H new ATOM 1861 N LEU B 34 24.495 20.748 17.236 1.00 0.08 N ATOM 1862 CA LEU B 34 23.298 19.896 17.531 1.00 0.09 C ATOM 1863 C LEU B 34 23.519 18.502 16.913 1.00 0.12 C ATOM 1864 O LEU B 34 23.242 17.492 17.528 1.00 0.16 O ATOM 1865 CB LEU B 34 22.049 20.572 16.891 1.00 0.10 C ATOM 1866 CG LEU B 34 21.098 21.299 17.913 1.00 0.10 C ATOM 1867 CD1 LEU B 34 21.794 21.704 19.227 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.534 22.561 17.247 1.00 0.11 C ATOM 0 H LEU B 34 24.297 21.614 16.735 1.00 0.08 H new ATOM 0 HA LEU B 34 23.148 19.792 18.606 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.385 21.297 16.150 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.475 19.814 16.358 1.00 0.10 H new ATOM 0 HG LEU B 34 20.314 20.589 18.176 1.00 0.10 H new ATOM 0 HD11 LEU B 34 21.076 22.199 19.881 1.00 0.10 H new ATOM 0 HD12 LEU B 34 22.182 20.814 19.722 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.616 22.385 19.008 1.00 0.10 H new ATOM 0 HD21 LEU B 34 19.873 23.076 17.944 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.354 23.223 16.969 1.00 0.11 H new ATOM 0 HD23 LEU B 34 19.974 22.282 16.354 1.00 0.11 H new ATOM 1880 N LYS B 35 24.005 18.444 15.704 1.00 0.13 N ATOM 1881 CA LYS B 35 24.231 17.120 15.051 1.00 0.17 C ATOM 1882 C LYS B 35 25.041 16.209 15.974 1.00 0.19 C ATOM 1883 O LYS B 35 24.812 15.018 16.040 1.00 0.28 O ATOM 1884 CB LYS B 35 24.998 17.327 13.742 1.00 0.16 C ATOM 1885 CG LYS B 35 24.972 16.036 12.922 1.00 0.19 C ATOM 1886 CD LYS B 35 25.740 16.246 11.615 1.00 0.26 C ATOM 1887 CE LYS B 35 25.594 15.006 10.732 1.00 0.70 C ATOM 1888 NZ LYS B 35 26.469 15.142 9.533 1.00 1.58 N ATOM 0 H LYS B 35 24.256 19.255 15.139 1.00 0.13 H new ATOM 0 HA LYS B 35 23.267 16.653 14.847 1.00 0.17 H new ATOM 0 HB2 LYS B 35 24.551 18.141 13.172 1.00 0.16 H new ATOM 0 HB3 LYS B 35 26.028 17.614 13.954 1.00 0.16 H new ATOM 0 HG2 LYS B 35 25.419 15.222 13.492 1.00 0.19 H new ATOM 0 HG3 LYS B 35 23.942 15.749 12.709 1.00 0.19 H new ATOM 0 HD2 LYS B 35 25.358 17.124 11.094 1.00 0.26 H new ATOM 0 HD3 LYS B 35 26.793 16.433 11.826 1.00 0.26 H new ATOM 0 HE2 LYS B 35 25.866 14.113 11.294 1.00 0.70 H new ATOM 0 HE3 LYS B 35 24.555 14.886 10.425 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 25.879 15.213 8.679 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 27.051 15.999 9.624 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 27.088 14.309 9.458 1.00 1.58 H new ATOM 1902 N ASP B 36 25.994 16.753 16.679 1.00 0.23 N ATOM 1903 CA ASP B 36 26.824 15.910 17.587 1.00 0.28 C ATOM 1904 C ASP B 36 26.152 15.788 18.955 1.00 0.26 C ATOM 1905 O ASP B 36 26.179 14.747 19.580 1.00 0.39 O ATOM 1906 CB ASP B 36 28.196 16.558 17.757 1.00 0.34 C ATOM 1907 CG ASP B 36 28.865 16.707 16.390 1.00 1.23 C ATOM 1908 OD1 ASP B 36 28.763 15.784 15.599 1.00 1.96 O ATOM 1909 OD2 ASP B 36 29.467 17.742 16.157 1.00 1.92 O ATOM 0 H ASP B 36 26.234 17.744 16.666 1.00 0.23 H new ATOM 0 HA ASP B 36 26.930 14.916 17.153 1.00 0.28 H new ATOM 0 HB2 ASP B 36 28.092 17.534 18.231 1.00 0.34 H new ATOM 0 HB3 ASP B 36 28.818 15.950 18.413 1.00 0.34 H new ATOM 1914 N ALA B 37 25.564 16.848 19.432 1.00 0.21 N ATOM 1915 CA ALA B 37 24.907 16.799 20.767 1.00 0.21 C ATOM 1916 C ALA B 37 23.559 16.094 20.663 1.00 0.20 C ATOM 1917 O ALA B 37 22.613 16.456 21.334 1.00 0.24 O ATOM 1918 CB ALA B 37 24.680 18.226 21.256 1.00 0.22 C ATOM 0 H ALA B 37 25.510 17.748 18.955 1.00 0.21 H new ATOM 0 HA ALA B 37 25.545 16.253 21.462 1.00 0.21 H new ATOM 0 HB1 ALA B 37 24.199 18.203 22.234 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.638 18.740 21.335 1.00 0.22 H new ATOM 0 HB3 ALA B 37 24.041 18.755 20.549 1.00 0.22 H new ATOM 1924 N ASP B 38 23.444 15.106 19.827 1.00 0.20 N ATOM 1925 CA ASP B 38 22.134 14.420 19.699 1.00 0.21 C ATOM 1926 C ASP B 38 21.076 15.482 19.400 1.00 0.18 C ATOM 1927 O ASP B 38 19.888 15.259 19.526 1.00 0.21 O ATOM 1928 CB ASP B 38 21.807 13.705 21.017 1.00 0.28 C ATOM 1929 CG ASP B 38 20.796 12.582 20.763 1.00 1.00 C ATOM 1930 OD1 ASP B 38 21.198 11.558 20.238 1.00 1.59 O ATOM 1931 OD2 ASP B 38 19.638 12.767 21.099 1.00 1.86 O ATOM 0 H ASP B 38 24.191 14.747 19.233 1.00 0.20 H new ATOM 0 HA ASP B 38 22.158 13.681 18.898 1.00 0.21 H new ATOM 0 HB2 ASP B 38 22.717 13.295 21.454 1.00 0.28 H new ATOM 0 HB3 ASP B 38 21.401 14.416 21.736 1.00 0.28 H new ATOM 1936 N ALA B 39 21.525 16.644 19.019 1.00 0.14 N ATOM 1937 CA ALA B 39 20.603 17.763 18.714 1.00 0.14 C ATOM 1938 C ALA B 39 19.893 18.208 19.995 1.00 0.15 C ATOM 1939 O ALA B 39 18.958 18.982 19.961 1.00 0.18 O ATOM 1940 CB ALA B 39 19.579 17.329 17.667 1.00 0.16 C ATOM 0 H ALA B 39 22.514 16.866 18.905 1.00 0.14 H new ATOM 0 HA ALA B 39 21.175 18.600 18.315 1.00 0.14 H new ATOM 0 HB1 ALA B 39 18.906 18.159 17.450 1.00 0.16 H new ATOM 0 HB2 ALA B 39 20.095 17.032 16.754 1.00 0.16 H new ATOM 0 HB3 ALA B 39 19.004 16.486 18.049 1.00 0.16 H new ATOM 1946 N ASN B 40 20.338 17.732 21.126 1.00 0.15 N ATOM 1947 CA ASN B 40 19.693 18.139 22.406 1.00 0.18 C ATOM 1948 C ASN B 40 20.204 19.527 22.792 1.00 0.15 C ATOM 1949 O ASN B 40 21.298 19.678 23.300 1.00 0.15 O ATOM 1950 CB ASN B 40 20.047 17.130 23.503 1.00 0.23 C ATOM 1951 CG ASN B 40 19.069 17.277 24.672 1.00 0.91 C ATOM 1952 OD1 ASN B 40 19.038 16.450 25.561 1.00 1.90 O ATOM 1953 ND2 ASN B 40 18.262 18.302 24.706 1.00 1.32 N ATOM 0 H ASN B 40 21.118 17.081 21.219 1.00 0.15 H new ATOM 0 HA ASN B 40 18.610 18.165 22.287 1.00 0.18 H new ATOM 0 HB2 ASN B 40 20.005 16.116 23.106 1.00 0.23 H new ATOM 0 HB3 ASN B 40 21.068 17.295 23.847 1.00 0.23 H new ATOM 0 HD21 ASN B 40 17.605 18.409 25.479 1.00 1.32 H new ATOM 0 HD22 ASN B 40 18.288 18.997 23.959 1.00 1.32 H new ATOM 1960 N ILE B 41 19.429 20.542 22.539 1.00 0.15 N ATOM 1961 CA ILE B 41 19.877 21.921 22.872 1.00 0.15 C ATOM 1962 C ILE B 41 20.404 21.974 24.309 1.00 0.15 C ATOM 1963 O ILE B 41 21.460 22.517 24.563 1.00 0.14 O ATOM 1964 CB ILE B 41 18.707 22.895 22.679 1.00 0.19 C ATOM 1965 CG1 ILE B 41 18.486 23.075 21.166 1.00 0.21 C ATOM 1966 CG2 ILE B 41 19.034 24.245 23.348 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.300 24.002 20.899 1.00 0.24 C ATOM 0 H ILE B 41 18.503 20.476 22.115 1.00 0.15 H new ATOM 0 HA ILE B 41 20.690 22.212 22.207 1.00 0.15 H new ATOM 0 HB ILE B 41 17.800 22.504 23.141 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.386 23.487 20.709 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.307 22.105 20.702 1.00 0.21 H new ATOM 0 HG21 ILE B 41 18.200 24.932 23.208 1.00 0.21 H new ATOM 0 HG22 ILE B 41 19.202 24.092 24.414 1.00 0.21 H new ATOM 0 HG23 ILE B 41 19.932 24.667 22.896 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.162 24.115 19.824 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.398 23.575 21.338 1.00 0.24 H new ATOM 0 HD13 ILE B 41 17.493 24.978 21.345 1.00 0.24 H new ATOM 1979 N GLU B 42 19.696 21.415 25.251 1.00 0.17 N ATOM 1980 CA GLU B 42 20.190 21.447 26.655 1.00 0.17 C ATOM 1981 C GLU B 42 21.638 20.963 26.677 1.00 0.16 C ATOM 1982 O GLU B 42 22.502 21.579 27.266 1.00 0.18 O ATOM 1983 CB GLU B 42 19.324 20.534 27.527 1.00 0.20 C ATOM 1984 CG GLU B 42 17.965 21.196 27.766 1.00 0.30 C ATOM 1985 CD GLU B 42 17.040 20.218 28.493 1.00 1.03 C ATOM 1986 OE1 GLU B 42 17.483 19.625 29.463 1.00 1.78 O ATOM 1987 OE2 GLU B 42 15.905 20.080 28.069 1.00 1.65 O ATOM 0 H GLU B 42 18.804 20.941 25.111 1.00 0.17 H new ATOM 0 HA GLU B 42 20.135 22.463 27.045 1.00 0.17 H new ATOM 0 HB2 GLU B 42 19.189 19.568 27.040 1.00 0.20 H new ATOM 0 HB3 GLU B 42 19.820 20.344 28.479 1.00 0.20 H new ATOM 0 HG2 GLU B 42 18.090 22.103 28.358 1.00 0.30 H new ATOM 0 HG3 GLU B 42 17.522 21.494 26.816 1.00 0.30 H new ATOM 1994 N GLU B 43 21.909 19.871 26.020 1.00 0.16 N ATOM 1995 CA GLU B 43 23.302 19.351 25.982 1.00 0.16 C ATOM 1996 C GLU B 43 24.170 20.317 25.174 1.00 0.14 C ATOM 1997 O GLU B 43 25.143 20.851 25.665 1.00 0.20 O ATOM 1998 CB GLU B 43 23.314 17.969 25.322 1.00 0.18 C ATOM 1999 CG GLU B 43 24.633 17.260 25.637 1.00 0.30 C ATOM 2000 CD GLU B 43 24.652 16.849 27.110 1.00 1.21 C ATOM 2001 OE1 GLU B 43 23.610 16.458 27.610 1.00 1.89 O ATOM 2002 OE2 GLU B 43 25.708 16.934 27.715 1.00 1.96 O ATOM 0 H GLU B 43 21.224 19.316 25.507 1.00 0.16 H new ATOM 0 HA GLU B 43 23.694 19.265 26.995 1.00 0.16 H new ATOM 0 HB2 GLU B 43 22.475 17.375 25.684 1.00 0.18 H new ATOM 0 HB3 GLU B 43 23.192 18.069 24.243 1.00 0.18 H new ATOM 0 HG2 GLU B 43 24.747 16.382 25.002 1.00 0.30 H new ATOM 0 HG3 GLU B 43 25.473 17.920 25.422 1.00 0.30 H new ATOM 2009 N ALA B 44 23.820 20.547 23.937 1.00 0.12 N ATOM 2010 CA ALA B 44 24.622 21.478 23.090 1.00 0.12 C ATOM 2011 C ALA B 44 24.772 22.832 23.793 1.00 0.12 C ATOM 2012 O ALA B 44 25.866 23.323 23.986 1.00 0.14 O ATOM 2013 CB ALA B 44 23.916 21.672 21.737 1.00 0.13 C ATOM 0 H ALA B 44 23.012 20.130 23.475 1.00 0.12 H new ATOM 0 HA ALA B 44 25.613 21.053 22.928 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.500 22.352 21.116 1.00 0.13 H new ATOM 0 HB2 ALA B 44 23.824 20.710 21.234 1.00 0.13 H new ATOM 0 HB3 ALA B 44 22.924 22.092 21.901 1.00 0.13 H new ATOM 2019 N SER B 45 23.682 23.445 24.163 1.00 0.12 N ATOM 2020 CA SER B 45 23.769 24.773 24.834 1.00 0.16 C ATOM 2021 C SER B 45 24.799 24.719 25.962 1.00 0.15 C ATOM 2022 O SER B 45 25.436 25.703 26.278 1.00 0.16 O ATOM 2023 CB SER B 45 22.404 25.148 25.406 1.00 0.19 C ATOM 2024 OG SER B 45 22.544 26.284 26.250 1.00 0.82 O ATOM 0 H SER B 45 22.737 23.085 24.030 1.00 0.12 H new ATOM 0 HA SER B 45 24.076 25.523 24.105 1.00 0.16 H new ATOM 0 HB2 SER B 45 21.705 25.365 24.598 1.00 0.19 H new ATOM 0 HB3 SER B 45 21.990 24.311 25.969 1.00 0.19 H new ATOM 0 HG SER B 45 21.669 26.528 26.618 1.00 0.82 H new ATOM 2030 N ARG B 46 24.971 23.579 26.574 1.00 0.17 N ATOM 2031 CA ARG B 46 25.965 23.476 27.678 1.00 0.20 C ATOM 2032 C ARG B 46 27.372 23.346 27.084 1.00 0.17 C ATOM 2033 O ARG B 46 28.357 23.635 27.734 1.00 0.23 O ATOM 2034 CB ARG B 46 25.635 22.259 28.552 1.00 0.24 C ATOM 2035 CG ARG B 46 24.322 22.526 29.318 1.00 0.84 C ATOM 2036 CD ARG B 46 23.636 21.221 29.747 1.00 1.21 C ATOM 2037 NE ARG B 46 24.230 20.752 31.047 1.00 1.63 N ATOM 2038 CZ ARG B 46 25.421 20.233 31.119 1.00 2.08 C ATOM 2039 NH1 ARG B 46 26.072 19.925 30.032 1.00 2.50 N ATOM 2040 NH2 ARG B 46 25.943 19.968 32.285 1.00 2.80 N ATOM 0 H ARG B 46 24.468 22.718 26.358 1.00 0.17 H new ATOM 0 HA ARG B 46 25.926 24.372 28.297 1.00 0.20 H new ATOM 0 HB2 ARG B 46 25.534 21.368 27.932 1.00 0.24 H new ATOM 0 HB3 ARG B 46 26.447 22.069 29.254 1.00 0.24 H new ATOM 0 HG2 ARG B 46 24.532 23.133 30.199 1.00 0.84 H new ATOM 0 HG3 ARG B 46 23.645 23.103 28.688 1.00 0.84 H new ATOM 0 HD2 ARG B 46 22.564 21.380 29.860 1.00 1.21 H new ATOM 0 HD3 ARG B 46 23.766 20.459 28.979 1.00 1.21 H new ATOM 0 HE ARG B 46 23.680 20.844 31.901 1.00 1.63 H new ATOM 0 HH11 ARG B 46 25.648 20.091 29.119 1.00 2.50 H new ATOM 0 HH12 ARG B 46 27.005 19.518 30.094 1.00 2.50 H new ATOM 0 HH21 ARG B 46 25.418 20.168 33.136 1.00 2.80 H new ATOM 0 HH22 ARG B 46 26.876 19.561 32.345 1.00 2.80 H new ATOM 2054 N ARG B 47 27.472 22.934 25.847 1.00 0.13 N ATOM 2055 CA ARG B 47 28.816 22.811 25.208 1.00 0.12 C ATOM 2056 C ARG B 47 29.307 24.208 24.829 1.00 0.11 C ATOM 2057 O ARG B 47 30.336 24.668 25.281 1.00 0.12 O ATOM 2058 CB ARG B 47 28.713 21.967 23.934 1.00 0.15 C ATOM 2059 CG ARG B 47 28.222 20.561 24.273 1.00 0.32 C ATOM 2060 CD ARG B 47 28.320 19.678 23.027 1.00 0.54 C ATOM 2061 NE ARG B 47 28.033 18.266 23.399 1.00 0.95 N ATOM 2062 CZ ARG B 47 27.785 17.382 22.472 1.00 1.20 C ATOM 2063 NH1 ARG B 47 27.783 17.736 21.216 1.00 1.81 N ATOM 2064 NH2 ARG B 47 27.540 16.143 22.800 1.00 1.62 N ATOM 0 H ARG B 47 26.683 22.678 25.253 1.00 0.13 H new ATOM 0 HA ARG B 47 29.506 22.335 25.904 1.00 0.12 H new ATOM 0 HB2 ARG B 47 28.028 22.440 23.230 1.00 0.15 H new ATOM 0 HB3 ARG B 47 29.686 21.913 23.445 1.00 0.15 H new ATOM 0 HG2 ARG B 47 28.821 20.139 25.080 1.00 0.32 H new ATOM 0 HG3 ARG B 47 27.192 20.598 24.626 1.00 0.32 H new ATOM 0 HD2 ARG B 47 27.613 20.017 22.270 1.00 0.54 H new ATOM 0 HD3 ARG B 47 29.316 19.756 22.590 1.00 0.54 H new ATOM 0 HE ARG B 47 28.030 17.989 24.381 1.00 0.95 H new ATOM 0 HH11 ARG B 47 27.975 18.704 20.959 1.00 1.81 H new ATOM 0 HH12 ARG B 47 27.589 17.045 20.492 1.00 1.81 H new ATOM 0 HH21 ARG B 47 27.542 15.865 23.781 1.00 1.62 H new ATOM 0 HH22 ARG B 47 27.346 15.452 22.075 1.00 1.62 H new ATOM 2078 N ILE B 48 28.559 24.880 24.000 1.00 0.10 N ATOM 2079 CA ILE B 48 28.938 26.256 23.567 1.00 0.09 C ATOM 2080 C ILE B 48 29.368 27.073 24.785 1.00 0.10 C ATOM 2081 O ILE B 48 30.456 27.612 24.831 1.00 0.10 O ATOM 2082 CB ILE B 48 27.730 26.899 22.892 1.00 0.10 C ATOM 2083 CG1 ILE B 48 27.228 25.949 21.797 1.00 0.10 C ATOM 2084 CG2 ILE B 48 28.146 28.235 22.274 1.00 0.10 C ATOM 2085 CD1 ILE B 48 26.142 26.629 20.968 1.00 0.10 C ATOM 0 H ILE B 48 27.689 24.531 23.598 1.00 0.10 H new ATOM 0 HA ILE B 48 29.771 26.220 22.865 1.00 0.09 H new ATOM 0 HB ILE B 48 26.938 27.079 23.619 1.00 0.10 H new ATOM 0 HG12 ILE B 48 28.057 25.654 21.153 1.00 0.10 H new ATOM 0 HG13 ILE B 48 26.835 25.038 22.248 1.00 0.10 H new ATOM 0 HG21 ILE B 48 27.285 28.696 21.791 1.00 0.10 H new ATOM 0 HG22 ILE B 48 28.521 28.896 23.055 1.00 0.10 H new ATOM 0 HG23 ILE B 48 28.929 28.066 21.535 1.00 0.10 H new ATOM 0 HD11 ILE B 48 25.793 25.945 20.194 1.00 0.10 H new ATOM 0 HD12 ILE B 48 25.308 26.901 21.614 1.00 0.10 H new ATOM 0 HD13 ILE B 48 26.548 27.527 20.503 1.00 0.10 H new ATOM 2097 N GLU B 49 28.529 27.157 25.778 1.00 0.10 N ATOM 2098 CA GLU B 49 28.897 27.927 27.002 1.00 0.11 C ATOM 2099 C GLU B 49 30.279 27.486 27.469 1.00 0.11 C ATOM 2100 O GLU B 49 31.214 28.262 27.513 1.00 0.12 O ATOM 2101 CB GLU B 49 27.902 27.612 28.108 1.00 0.13 C ATOM 2102 CG GLU B 49 26.568 28.308 27.829 1.00 0.14 C ATOM 2103 CD GLU B 49 25.656 28.169 29.049 1.00 0.16 C ATOM 2104 OE1 GLU B 49 25.859 27.241 29.815 1.00 1.10 O ATOM 2105 OE2 GLU B 49 24.769 28.994 29.198 1.00 1.07 O ATOM 0 H GLU B 49 27.604 26.727 25.797 1.00 0.10 H new ATOM 0 HA GLU B 49 28.891 28.994 26.777 1.00 0.11 H new ATOM 0 HB2 GLU B 49 27.752 26.535 28.177 1.00 0.13 H new ATOM 0 HB3 GLU B 49 28.298 27.940 29.069 1.00 0.13 H new ATOM 0 HG2 GLU B 49 26.735 29.361 27.605 1.00 0.14 H new ATOM 0 HG3 GLU B 49 26.092 27.867 26.953 1.00 0.14 H new ATOM 2112 N GLU B 50 30.415 26.231 27.802 1.00 0.12 N ATOM 2113 CA GLU B 50 31.736 25.718 28.249 1.00 0.12 C ATOM 2114 C GLU B 50 32.769 26.147 27.220 1.00 0.11 C ATOM 2115 O GLU B 50 33.944 26.213 27.489 1.00 0.11 O ATOM 2116 CB GLU B 50 31.696 24.191 28.339 1.00 0.14 C ATOM 2117 CG GLU B 50 32.930 23.691 29.093 1.00 0.17 C ATOM 2118 CD GLU B 50 32.958 22.162 29.070 1.00 1.14 C ATOM 2119 OE1 GLU B 50 32.223 21.564 29.838 1.00 1.78 O ATOM 2120 OE2 GLU B 50 33.715 21.615 28.285 1.00 1.97 O ATOM 0 H GLU B 50 29.665 25.540 27.783 1.00 0.12 H new ATOM 0 HA GLU B 50 31.988 26.114 29.233 1.00 0.12 H new ATOM 0 HB2 GLU B 50 30.789 23.870 28.851 1.00 0.14 H new ATOM 0 HB3 GLU B 50 31.668 23.758 27.339 1.00 0.14 H new ATOM 0 HG2 GLU B 50 33.835 24.089 28.634 1.00 0.17 H new ATOM 0 HG3 GLU B 50 32.910 24.049 30.122 1.00 0.17 H new ATOM 2127 N GLY B 51 32.317 26.459 26.041 1.00 0.10 N ATOM 2128 CA GLY B 51 33.262 26.911 24.976 1.00 0.09 C ATOM 2129 C GLY B 51 33.549 28.398 25.182 1.00 0.09 C ATOM 2130 O GLY B 51 34.682 28.811 25.331 1.00 0.10 O ATOM 0 H GLY B 51 31.336 26.422 25.765 1.00 0.10 H new ATOM 0 HA2 GLY B 51 34.187 26.337 25.022 1.00 0.09 H new ATOM 0 HA3 GLY B 51 32.830 26.742 23.990 1.00 0.09 H new ATOM 2134 N GLN B 52 32.520 29.202 25.214 1.00 0.10 N ATOM 2135 CA GLN B 52 32.707 30.668 25.437 1.00 0.11 C ATOM 2136 C GLN B 52 33.634 30.865 26.627 1.00 0.11 C ATOM 2137 O GLN B 52 34.572 31.637 26.584 1.00 0.13 O ATOM 2138 CB GLN B 52 31.349 31.306 25.736 1.00 0.13 C ATOM 2139 CG GLN B 52 30.381 30.997 24.592 1.00 0.19 C ATOM 2140 CD GLN B 52 30.778 31.798 23.355 1.00 0.54 C ATOM 2141 OE1 GLN B 52 31.505 32.767 23.450 1.00 1.37 O ATOM 2142 NE2 GLN B 52 30.328 31.432 22.188 1.00 0.74 N ATOM 0 H GLN B 52 31.551 28.906 25.095 1.00 0.10 H new ATOM 0 HA GLN B 52 33.139 31.133 24.551 1.00 0.11 H new ATOM 0 HB2 GLN B 52 30.953 30.922 26.676 1.00 0.13 H new ATOM 0 HB3 GLN B 52 31.459 32.384 25.853 1.00 0.13 H new ATOM 0 HG2 GLN B 52 30.396 29.931 24.367 1.00 0.19 H new ATOM 0 HG3 GLN B 52 29.362 31.246 24.887 1.00 0.19 H new ATOM 0 HE21 GLN B 52 29.718 30.618 22.109 1.00 0.74 H new ATOM 0 HE22 GLN B 52 30.586 31.959 21.354 1.00 0.74 H new ATOM 2151 N TYR B 53 33.379 30.160 27.686 1.00 0.11 N ATOM 2152 CA TYR B 53 34.246 30.288 28.886 1.00 0.13 C ATOM 2153 C TYR B 53 35.690 29.913 28.507 1.00 0.13 C ATOM 2154 O TYR B 53 36.622 30.620 28.828 1.00 0.16 O ATOM 2155 CB TYR B 53 33.721 29.366 30.006 1.00 0.14 C ATOM 2156 CG TYR B 53 34.806 29.131 31.035 1.00 0.17 C ATOM 2157 CD1 TYR B 53 35.782 28.166 30.789 1.00 0.17 C ATOM 2158 CD2 TYR B 53 34.843 29.879 32.217 1.00 0.22 C ATOM 2159 CE1 TYR B 53 36.802 27.941 31.713 1.00 0.22 C ATOM 2160 CE2 TYR B 53 35.866 29.657 33.150 1.00 0.26 C ATOM 2161 CZ TYR B 53 36.847 28.688 32.897 1.00 0.25 C ATOM 2162 OH TYR B 53 37.854 28.468 33.815 1.00 0.30 O ATOM 0 H TYR B 53 32.607 29.499 27.775 1.00 0.11 H new ATOM 0 HA TYR B 53 34.230 31.316 29.249 1.00 0.13 H new ATOM 0 HB2 TYR B 53 32.850 29.817 30.481 1.00 0.14 H new ATOM 0 HB3 TYR B 53 33.397 28.415 29.583 1.00 0.14 H new ATOM 0 HD1 TYR B 53 35.748 27.589 29.877 1.00 0.17 H new ATOM 0 HD2 TYR B 53 34.086 30.625 32.410 1.00 0.22 H new ATOM 0 HE1 TYR B 53 37.555 27.193 31.516 1.00 0.22 H new ATOM 0 HE2 TYR B 53 35.898 30.232 34.063 1.00 0.26 H new ATOM 0 HH TYR B 53 37.738 29.071 34.579 1.00 0.30 H new ATOM 2172 N VAL B 54 35.885 28.810 27.834 1.00 0.11 N ATOM 2173 CA VAL B 54 37.277 28.415 27.458 1.00 0.12 C ATOM 2174 C VAL B 54 37.950 29.571 26.717 1.00 0.12 C ATOM 2175 O VAL B 54 38.917 30.144 27.179 1.00 0.13 O ATOM 2176 CB VAL B 54 37.266 27.184 26.532 1.00 0.11 C ATOM 2177 CG1 VAL B 54 38.711 26.874 26.119 1.00 0.13 C ATOM 2178 CG2 VAL B 54 36.654 25.948 27.245 1.00 0.12 C ATOM 0 H VAL B 54 35.151 28.171 27.530 1.00 0.11 H new ATOM 0 HA VAL B 54 37.822 28.173 28.371 1.00 0.12 H new ATOM 0 HB VAL B 54 36.653 27.404 25.658 1.00 0.11 H new ATOM 0 HG11 VAL B 54 38.723 26.004 25.462 1.00 0.13 H new ATOM 0 HG12 VAL B 54 39.131 27.731 25.593 1.00 0.13 H new ATOM 0 HG13 VAL B 54 39.307 26.666 27.008 1.00 0.13 H new ATOM 0 HG21 VAL B 54 36.660 25.096 26.565 1.00 0.12 H new ATOM 0 HG22 VAL B 54 37.243 25.710 28.131 1.00 0.12 H new ATOM 0 HG23 VAL B 54 35.628 26.169 27.540 1.00 0.12 H new ATOM 2188 N VAL B 55 37.446 29.904 25.564 1.00 0.11 N ATOM 2189 CA VAL B 55 38.047 31.010 24.768 1.00 0.11 C ATOM 2190 C VAL B 55 38.190 32.253 25.647 1.00 0.14 C ATOM 2191 O VAL B 55 39.269 32.789 25.813 1.00 0.17 O ATOM 2192 CB VAL B 55 37.136 31.313 23.573 1.00 0.11 C ATOM 2193 CG1 VAL B 55 37.828 32.296 22.627 1.00 0.13 C ATOM 2194 CG2 VAL B 55 36.841 30.008 22.826 1.00 0.10 C ATOM 0 H VAL B 55 36.637 29.455 25.135 1.00 0.11 H new ATOM 0 HA VAL B 55 39.034 30.718 24.408 1.00 0.11 H new ATOM 0 HB VAL B 55 36.206 31.756 23.928 1.00 0.11 H new ATOM 0 HG11 VAL B 55 37.175 32.507 21.780 1.00 0.13 H new ATOM 0 HG12 VAL B 55 38.043 33.223 23.159 1.00 0.13 H new ATOM 0 HG13 VAL B 55 38.760 31.860 22.267 1.00 0.13 H new ATOM 0 HG21 VAL B 55 36.193 30.215 21.974 1.00 0.10 H new ATOM 0 HG22 VAL B 55 37.775 29.571 22.474 1.00 0.10 H new ATOM 0 HG23 VAL B 55 36.344 29.308 23.498 1.00 0.10 H new ATOM 2204 N ASN B 56 37.112 32.716 26.210 1.00 0.16 N ATOM 2205 CA ASN B 56 37.184 33.927 27.078 1.00 0.20 C ATOM 2206 C ASN B 56 38.169 33.680 28.225 1.00 0.22 C ATOM 2207 O ASN B 56 39.050 34.476 28.481 1.00 0.31 O ATOM 2208 CB ASN B 56 35.797 34.226 27.652 1.00 0.26 C ATOM 2209 CG ASN B 56 35.871 35.459 28.552 1.00 0.52 C ATOM 2210 OD1 ASN B 56 34.880 35.872 29.121 1.00 1.35 O ATOM 2211 ND2 ASN B 56 37.013 36.069 28.706 1.00 0.91 N ATOM 0 H ASN B 56 36.182 32.310 26.108 1.00 0.16 H new ATOM 0 HA ASN B 56 37.524 34.777 26.486 1.00 0.20 H new ATOM 0 HB2 ASN B 56 35.086 34.395 26.843 1.00 0.26 H new ATOM 0 HB3 ASN B 56 35.435 33.369 28.220 1.00 0.26 H new ATOM 0 HD21 ASN B 56 37.075 36.893 29.304 1.00 0.91 H new ATOM 0 HD22 ASN B 56 37.845 35.722 28.228 1.00 0.91 H new