USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=25 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 13 CYS SG : rot -95:sc= -3.05 USER MOD Set 1.2: B 27 MET CE :methyl -106:sc= -0.0133 (180deg=-3.14!) USER MOD Set 2.1: B 22 TYR OH : rot 0:sc= -0.114 USER MOD Set 2.2: B 52 GLN :FLIP amide:sc= -0.346 F(o=-2.4!,f=-0.46) USER MOD Set 3.1: B 15 LYS NZ :NH3+ 132:sc= -5.09! (180deg=-7.76!) USER MOD Set 3.2: B 19 LYS NZ :NH3+ -104:sc= -1.85 (180deg=-3.14!) USER MOD Set 4.1: A 22 TYR OH : rot -90:sc= -1.67! USER MOD Set 4.2: A 52 GLN : amide:sc= -3.19! C(o=-4.9!,f=-5.2!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 81:sc= -1.59 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0191) USER MOD Single : A 19 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.22) USER MOD Single : A 27 MET CE :methyl -105:sc= -0.0229 (180deg=-2.03!) USER MOD Single : A 30 MET CE :methyl 172:sc= 0 (180deg=-0.161) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.0116 USER MOD Single : A 35 LYS NZ :NH3+ 150:sc= -0.297 (180deg=-1.29!) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.0674 F(o=-2.2!,f=-0.067) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 56 ASN : amide:sc= -0.855 K(o=-0.86,f=-2.4!) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 30 MET CE :methyl -161:sc= -1.21 (180deg=-2.62) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 141:sc= 0.938 (180deg=-0.296) USER MOD Single : B 40 ASN :FLIP amide:sc= -0.295 F(o=-3.4!,f=-0.3) USER MOD Single : B 45 SER OG : rot -65:sc= 0.827 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= -1.71! C(o=-1.7!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 44.711 22.196 21.367 1.00 0.27 N ATOM 107 CA PHE A 9 43.273 22.280 20.988 1.00 0.25 C ATOM 108 C PHE A 9 43.023 23.598 20.256 1.00 0.25 C ATOM 109 O PHE A 9 42.400 23.631 19.213 1.00 0.36 O ATOM 110 CB PHE A 9 42.412 22.216 22.254 1.00 0.23 C ATOM 111 CG PHE A 9 40.993 21.862 21.884 1.00 0.19 C ATOM 112 CD1 PHE A 9 40.075 22.874 21.590 1.00 0.20 C ATOM 113 CD2 PHE A 9 40.599 20.520 21.833 1.00 0.19 C ATOM 114 CE1 PHE A 9 38.760 22.544 21.245 1.00 0.21 C ATOM 115 CE2 PHE A 9 39.283 20.191 21.486 1.00 0.19 C ATOM 116 CZ PHE A 9 38.365 21.204 21.192 1.00 0.20 C ATOM 0 HA PHE A 9 43.012 21.448 20.333 1.00 0.25 H new ATOM 0 HB2 PHE A 9 42.815 21.473 22.943 1.00 0.23 H new ATOM 0 HB3 PHE A 9 42.435 23.176 22.771 1.00 0.23 H new ATOM 0 HD1 PHE A 9 40.380 23.909 21.629 1.00 0.20 H new ATOM 0 HD2 PHE A 9 41.309 19.739 22.061 1.00 0.19 H new ATOM 0 HE1 PHE A 9 38.049 23.325 21.019 1.00 0.21 H new ATOM 0 HE2 PHE A 9 38.977 19.156 21.445 1.00 0.19 H new ATOM 0 HZ PHE A 9 37.350 20.951 20.924 1.00 0.20 H new ATOM 126 N LEU A 10 43.512 24.683 20.786 1.00 0.21 N ATOM 127 CA LEU A 10 43.308 25.992 20.110 1.00 0.21 C ATOM 128 C LEU A 10 44.024 25.965 18.759 1.00 0.22 C ATOM 129 O LEU A 10 43.607 26.600 17.811 1.00 0.27 O ATOM 130 CB LEU A 10 43.886 27.113 20.976 1.00 0.24 C ATOM 131 CG LEU A 10 43.290 27.043 22.387 1.00 0.27 C ATOM 132 CD1 LEU A 10 44.050 28.004 23.300 1.00 0.31 C ATOM 133 CD2 LEU A 10 41.805 27.439 22.355 1.00 0.28 C ATOM 0 H LEU A 10 44.043 24.720 21.656 1.00 0.21 H new ATOM 0 HA LEU A 10 42.243 26.171 19.961 1.00 0.21 H new ATOM 0 HB2 LEU A 10 44.971 27.023 21.025 1.00 0.24 H new ATOM 0 HB3 LEU A 10 43.666 28.081 20.527 1.00 0.24 H new ATOM 0 HG LEU A 10 43.377 26.024 22.763 1.00 0.27 H new ATOM 0 HD11 LEU A 10 43.631 27.959 24.305 1.00 0.31 H new ATOM 0 HD12 LEU A 10 45.102 27.720 23.332 1.00 0.31 H new ATOM 0 HD13 LEU A 10 43.960 29.020 22.915 1.00 0.31 H new ATOM 0 HD21 LEU A 10 41.392 27.386 23.362 1.00 0.28 H new ATOM 0 HD22 LEU A 10 41.708 28.457 21.977 1.00 0.28 H new ATOM 0 HD23 LEU A 10 41.260 26.756 21.703 1.00 0.28 H new ATOM 145 N ASP A 11 45.097 25.226 18.662 1.00 0.21 N ATOM 146 CA ASP A 11 45.834 25.151 17.370 1.00 0.23 C ATOM 147 C ASP A 11 44.903 24.587 16.295 1.00 0.20 C ATOM 148 O ASP A 11 44.659 25.213 15.284 1.00 0.29 O ATOM 149 CB ASP A 11 47.058 24.241 17.525 1.00 0.27 C ATOM 150 CG ASP A 11 48.029 24.481 16.367 1.00 1.08 C ATOM 151 OD1 ASP A 11 47.695 25.263 15.492 1.00 1.92 O ATOM 152 OD2 ASP A 11 49.089 23.879 16.375 1.00 1.64 O ATOM 0 H ASP A 11 45.493 24.672 19.421 1.00 0.21 H new ATOM 0 HA ASP A 11 46.167 26.147 17.079 1.00 0.23 H new ATOM 0 HB2 ASP A 11 47.554 24.441 18.475 1.00 0.27 H new ATOM 0 HB3 ASP A 11 46.747 23.196 17.541 1.00 0.27 H new ATOM 157 N TYR A 12 44.375 23.409 16.506 1.00 0.14 N ATOM 158 CA TYR A 12 43.458 22.819 15.491 1.00 0.12 C ATOM 159 C TYR A 12 42.390 23.852 15.125 1.00 0.11 C ATOM 160 O TYR A 12 42.193 24.179 13.973 1.00 0.15 O ATOM 161 CB TYR A 12 42.782 21.563 16.063 1.00 0.12 C ATOM 162 CG TYR A 12 43.813 20.466 16.273 1.00 0.16 C ATOM 163 CD1 TYR A 12 44.546 19.965 15.187 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.036 19.948 17.556 1.00 0.20 C ATOM 165 CE1 TYR A 12 45.495 18.955 15.385 1.00 0.28 C ATOM 166 CE2 TYR A 12 44.985 18.937 17.752 1.00 0.27 C ATOM 167 CZ TYR A 12 45.715 18.442 16.668 1.00 0.30 C ATOM 168 OH TYR A 12 46.651 17.446 16.862 1.00 0.37 O ATOM 0 H TYR A 12 44.539 22.835 17.333 1.00 0.14 H new ATOM 0 HA TYR A 12 44.027 22.542 14.603 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.295 21.801 17.009 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.004 21.217 15.382 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.378 20.359 14.196 1.00 0.22 H new ATOM 0 HD2 TYR A 12 43.474 20.330 18.396 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.058 18.572 14.547 1.00 0.28 H new ATOM 0 HE2 TYR A 12 45.153 18.539 18.742 1.00 0.27 H new ATOM 0 HH TYR A 12 46.680 17.204 17.811 1.00 0.37 H new ATOM 178 N CYS A 13 41.708 24.371 16.104 1.00 0.12 N ATOM 179 CA CYS A 13 40.657 25.390 15.836 1.00 0.15 C ATOM 180 C CYS A 13 41.196 26.438 14.860 1.00 0.16 C ATOM 181 O CYS A 13 40.543 26.806 13.904 1.00 0.19 O ATOM 182 CB CYS A 13 40.269 26.068 17.150 1.00 0.19 C ATOM 183 SG CYS A 13 39.379 24.891 18.199 1.00 1.38 S ATOM 0 H CYS A 13 41.834 24.131 17.087 1.00 0.12 H new ATOM 0 HA CYS A 13 39.782 24.908 15.399 1.00 0.15 H new ATOM 0 HB2 CYS A 13 41.161 26.426 17.664 1.00 0.19 H new ATOM 0 HB3 CYS A 13 39.644 26.939 16.951 1.00 0.19 H new ATOM 0 HG CYS A 13 40.232 24.125 18.812 1.00 1.38 H new ATOM 189 N GLN A 14 42.387 26.918 15.094 1.00 0.17 N ATOM 190 CA GLN A 14 42.976 27.938 14.181 1.00 0.21 C ATOM 191 C GLN A 14 42.784 27.495 12.728 1.00 0.21 C ATOM 192 O GLN A 14 42.448 28.284 11.868 1.00 0.28 O ATOM 193 CB GLN A 14 44.470 28.083 14.477 1.00 0.25 C ATOM 194 CG GLN A 14 45.004 29.344 13.797 1.00 0.64 C ATOM 195 CD GLN A 14 46.507 29.464 14.052 1.00 0.78 C ATOM 196 OE1 GLN A 14 46.974 29.188 15.139 1.00 1.68 O ATOM 197 NE2 GLN A 14 47.290 29.869 13.090 1.00 1.31 N ATOM 0 H GLN A 14 42.978 26.647 15.880 1.00 0.17 H new ATOM 0 HA GLN A 14 42.479 28.896 14.337 1.00 0.21 H new ATOM 0 HB2 GLN A 14 44.635 28.140 15.553 1.00 0.25 H new ATOM 0 HB3 GLN A 14 45.010 27.207 14.118 1.00 0.25 H new ATOM 0 HG2 GLN A 14 44.808 29.303 12.725 1.00 0.64 H new ATOM 0 HG3 GLN A 14 44.488 30.224 14.182 1.00 0.64 H new ATOM 0 HE21 GLN A 14 46.898 30.101 12.177 1.00 1.31 H new ATOM 0 HE22 GLN A 14 48.294 29.954 13.251 1.00 1.31 H new ATOM 206 N LYS A 15 42.990 26.236 12.448 1.00 0.20 N ATOM 207 CA LYS A 15 42.813 25.748 11.053 1.00 0.22 C ATOM 208 C LYS A 15 41.333 25.844 10.673 1.00 0.19 C ATOM 209 O LYS A 15 40.964 26.510 9.726 1.00 0.22 O ATOM 210 CB LYS A 15 43.268 24.294 10.960 1.00 0.25 C ATOM 211 CG LYS A 15 44.795 24.229 11.083 1.00 0.57 C ATOM 212 CD LYS A 15 45.294 22.767 10.895 1.00 1.16 C ATOM 213 CE LYS A 15 46.233 22.367 12.040 1.00 1.52 C ATOM 214 NZ LYS A 15 47.492 23.159 11.953 1.00 2.24 N ATOM 0 H LYS A 15 43.273 25.527 13.125 1.00 0.20 H new ATOM 0 HA LYS A 15 43.408 26.357 10.373 1.00 0.22 H new ATOM 0 HB2 LYS A 15 42.803 23.705 11.750 1.00 0.25 H new ATOM 0 HB3 LYS A 15 42.950 23.862 10.011 1.00 0.25 H new ATOM 0 HG2 LYS A 15 45.254 24.875 10.335 1.00 0.57 H new ATOM 0 HG3 LYS A 15 45.104 24.602 12.059 1.00 0.57 H new ATOM 0 HD2 LYS A 15 44.442 22.088 10.861 1.00 1.16 H new ATOM 0 HD3 LYS A 15 45.814 22.674 9.941 1.00 1.16 H new ATOM 0 HE2 LYS A 15 45.747 22.541 13.000 1.00 1.52 H new ATOM 0 HE3 LYS A 15 46.457 21.302 11.985 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 48.161 22.828 12.677 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 47.914 23.038 11.010 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 47.281 24.165 12.111 1.00 2.24 H new ATOM 228 N LEU A 16 40.484 25.188 11.419 1.00 0.15 N ATOM 229 CA LEU A 16 39.020 25.236 11.130 1.00 0.13 C ATOM 230 C LEU A 16 38.608 26.695 10.879 1.00 0.13 C ATOM 231 O LEU A 16 37.626 26.974 10.223 1.00 0.17 O ATOM 232 CB LEU A 16 38.269 24.668 12.361 1.00 0.11 C ATOM 233 CG LEU A 16 37.128 23.717 11.947 1.00 0.14 C ATOM 234 CD1 LEU A 16 37.694 22.402 11.388 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.273 23.415 13.185 1.00 0.17 C ATOM 0 H LEU A 16 40.744 24.616 12.223 1.00 0.15 H new ATOM 0 HA LEU A 16 38.776 24.646 10.247 1.00 0.13 H new ATOM 0 HB2 LEU A 16 38.972 24.135 13.002 1.00 0.11 H new ATOM 0 HB3 LEU A 16 37.862 25.490 12.949 1.00 0.11 H new ATOM 0 HG LEU A 16 36.527 24.192 11.171 1.00 0.14 H new ATOM 0 HD11 LEU A 16 36.873 21.745 11.102 1.00 0.26 H new ATOM 0 HD12 LEU A 16 38.311 22.614 10.515 1.00 0.26 H new ATOM 0 HD13 LEU A 16 38.300 21.914 12.151 1.00 0.26 H new ATOM 0 HD21 LEU A 16 35.460 22.743 12.911 1.00 0.17 H new ATOM 0 HD22 LEU A 16 36.892 22.943 13.948 1.00 0.17 H new ATOM 0 HD23 LEU A 16 35.859 24.344 13.577 1.00 0.17 H new ATOM 247 N LEU A 17 39.351 27.619 11.419 1.00 0.12 N ATOM 248 CA LEU A 17 39.018 29.060 11.245 1.00 0.13 C ATOM 249 C LEU A 17 39.578 29.587 9.918 1.00 0.15 C ATOM 250 O LEU A 17 38.851 30.085 9.081 1.00 0.22 O ATOM 251 CB LEU A 17 39.635 29.843 12.413 1.00 0.12 C ATOM 252 CG LEU A 17 38.931 31.208 12.577 1.00 0.12 C ATOM 253 CD1 LEU A 17 37.670 31.053 13.435 1.00 0.12 C ATOM 254 CD2 LEU A 17 39.870 32.204 13.267 1.00 0.13 C ATOM 0 H LEU A 17 40.183 27.436 11.979 1.00 0.12 H new ATOM 0 HA LEU A 17 37.935 29.185 11.232 1.00 0.13 H new ATOM 0 HB2 LEU A 17 39.544 29.267 13.334 1.00 0.12 H new ATOM 0 HB3 LEU A 17 40.700 29.995 12.235 1.00 0.12 H new ATOM 0 HG LEU A 17 38.662 31.575 11.587 1.00 0.12 H new ATOM 0 HD11 LEU A 17 37.182 32.022 13.544 1.00 0.12 H new ATOM 0 HD12 LEU A 17 36.986 30.354 12.953 1.00 0.12 H new ATOM 0 HD13 LEU A 17 37.944 30.672 14.419 1.00 0.12 H new ATOM 0 HD21 LEU A 17 39.365 33.163 13.378 1.00 0.13 H new ATOM 0 HD22 LEU A 17 40.146 31.823 14.250 1.00 0.13 H new ATOM 0 HD23 LEU A 17 40.768 32.335 12.664 1.00 0.13 H new ATOM 266 N GLU A 18 40.867 29.506 9.732 1.00 0.20 N ATOM 267 CA GLU A 18 41.477 30.028 8.476 1.00 0.25 C ATOM 268 C GLU A 18 40.909 29.295 7.253 1.00 0.21 C ATOM 269 O GLU A 18 40.626 29.900 6.238 1.00 0.25 O ATOM 270 CB GLU A 18 43.003 29.856 8.542 1.00 0.32 C ATOM 271 CG GLU A 18 43.396 28.407 8.222 1.00 1.41 C ATOM 272 CD GLU A 18 44.808 28.124 8.745 1.00 2.13 C ATOM 273 OE1 GLU A 18 45.020 28.284 9.935 1.00 2.77 O ATOM 274 OE2 GLU A 18 45.651 27.754 7.945 1.00 2.62 O ATOM 0 H GLU A 18 41.525 29.100 10.397 1.00 0.20 H new ATOM 0 HA GLU A 18 41.237 31.086 8.376 1.00 0.25 H new ATOM 0 HB2 GLU A 18 43.482 30.533 7.835 1.00 0.32 H new ATOM 0 HB3 GLU A 18 43.362 30.125 9.535 1.00 0.32 H new ATOM 0 HG2 GLU A 18 42.685 27.719 8.678 1.00 1.41 H new ATOM 0 HG3 GLU A 18 43.357 28.239 7.146 1.00 1.41 H new ATOM 281 N LYS A 19 40.742 28.002 7.332 1.00 0.20 N ATOM 282 CA LYS A 19 40.202 27.257 6.173 1.00 0.20 C ATOM 283 C LYS A 19 38.873 27.885 5.757 1.00 0.18 C ATOM 284 O LYS A 19 38.667 28.228 4.610 1.00 0.24 O ATOM 285 CB LYS A 19 39.999 25.795 6.586 1.00 0.22 C ATOM 286 CG LYS A 19 41.309 25.017 6.421 1.00 0.30 C ATOM 287 CD LYS A 19 41.155 23.625 7.034 1.00 0.37 C ATOM 288 CE LYS A 19 42.425 22.810 6.780 1.00 0.92 C ATOM 289 NZ LYS A 19 42.150 21.368 7.038 1.00 1.77 N ATOM 0 H LYS A 19 40.958 27.435 8.152 1.00 0.20 H new ATOM 0 HA LYS A 19 40.891 27.300 5.330 1.00 0.20 H new ATOM 0 HB2 LYS A 19 39.664 25.744 7.622 1.00 0.22 H new ATOM 0 HB3 LYS A 19 39.218 25.341 5.976 1.00 0.22 H new ATOM 0 HG2 LYS A 19 41.565 24.935 5.365 1.00 0.30 H new ATOM 0 HG3 LYS A 19 42.126 25.552 6.906 1.00 0.30 H new ATOM 0 HD2 LYS A 19 40.971 23.706 8.105 1.00 0.37 H new ATOM 0 HD3 LYS A 19 40.293 23.119 6.600 1.00 0.37 H new ATOM 0 HE2 LYS A 19 42.760 22.949 5.752 1.00 0.92 H new ATOM 0 HE3 LYS A 19 43.230 23.159 7.427 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 43.020 20.902 7.365 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 41.414 21.280 7.768 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 41.823 20.915 6.161 1.00 1.77 H new ATOM 303 N PHE A 20 37.976 28.056 6.685 1.00 0.16 N ATOM 304 CA PHE A 20 36.673 28.679 6.356 1.00 0.16 C ATOM 305 C PHE A 20 36.859 30.197 6.363 1.00 0.19 C ATOM 306 O PHE A 20 35.922 30.957 6.221 1.00 0.30 O ATOM 307 CB PHE A 20 35.653 28.264 7.410 1.00 0.14 C ATOM 308 CG PHE A 20 35.312 26.802 7.225 1.00 0.13 C ATOM 309 CD1 PHE A 20 36.223 25.825 7.643 1.00 0.13 C ATOM 310 CD2 PHE A 20 34.094 26.417 6.637 1.00 0.13 C ATOM 311 CE1 PHE A 20 35.925 24.469 7.479 1.00 0.12 C ATOM 312 CE2 PHE A 20 33.799 25.057 6.473 1.00 0.13 C ATOM 313 CZ PHE A 20 34.715 24.085 6.896 1.00 0.12 C ATOM 0 H PHE A 20 38.093 27.788 7.662 1.00 0.16 H new ATOM 0 HA PHE A 20 36.319 28.359 5.376 1.00 0.16 H new ATOM 0 HB2 PHE A 20 36.056 28.432 8.409 1.00 0.14 H new ATOM 0 HB3 PHE A 20 34.753 28.873 7.322 1.00 0.14 H new ATOM 0 HD1 PHE A 20 37.159 26.120 8.094 1.00 0.13 H new ATOM 0 HD2 PHE A 20 33.388 27.167 6.313 1.00 0.13 H new ATOM 0 HE1 PHE A 20 36.630 23.718 7.803 1.00 0.12 H new ATOM 0 HE2 PHE A 20 32.865 24.758 6.020 1.00 0.13 H new ATOM 0 HZ PHE A 20 34.485 23.037 6.771 1.00 0.12 H new ATOM 323 N ARG A 21 38.082 30.632 6.521 1.00 0.18 N ATOM 324 CA ARG A 21 38.379 32.095 6.532 1.00 0.21 C ATOM 325 C ARG A 21 37.432 32.833 7.486 1.00 0.18 C ATOM 326 O ARG A 21 36.964 33.913 7.186 1.00 0.19 O ATOM 327 CB ARG A 21 38.210 32.657 5.115 1.00 0.29 C ATOM 328 CG ARG A 21 39.379 32.202 4.217 1.00 0.65 C ATOM 329 CD ARG A 21 40.567 33.163 4.361 1.00 1.12 C ATOM 330 NE ARG A 21 41.640 32.770 3.403 1.00 1.93 N ATOM 331 CZ ARG A 21 42.611 33.599 3.133 1.00 2.67 C ATOM 332 NH1 ARG A 21 42.641 34.776 3.697 1.00 2.95 N ATOM 333 NH2 ARG A 21 43.553 33.252 2.299 1.00 3.64 N ATOM 0 H ARG A 21 38.896 30.030 6.644 1.00 0.18 H new ATOM 0 HA ARG A 21 39.404 32.241 6.874 1.00 0.21 H new ATOM 0 HB2 ARG A 21 37.264 32.318 4.692 1.00 0.29 H new ATOM 0 HB3 ARG A 21 38.172 33.746 5.150 1.00 0.29 H new ATOM 0 HG2 ARG A 21 39.684 31.192 4.490 1.00 0.65 H new ATOM 0 HG3 ARG A 21 39.055 32.167 3.177 1.00 0.65 H new ATOM 0 HD2 ARG A 21 40.247 34.187 4.166 1.00 1.12 H new ATOM 0 HD3 ARG A 21 40.948 33.137 5.382 1.00 1.12 H new ATOM 0 HE ARG A 21 41.615 31.852 2.958 1.00 1.93 H new ATOM 0 HH11 ARG A 21 41.905 35.048 4.349 1.00 2.95 H new ATOM 0 HH12 ARG A 21 43.400 35.424 3.486 1.00 2.95 H new ATOM 0 HH21 ARG A 21 43.530 32.333 1.858 1.00 3.64 H new ATOM 0 HH22 ARG A 21 44.312 33.900 2.088 1.00 3.64 H new ATOM 347 N TYR A 22 37.147 32.276 8.635 1.00 0.15 N ATOM 348 CA TYR A 22 36.235 32.978 9.589 1.00 0.13 C ATOM 349 C TYR A 22 37.054 34.019 10.394 1.00 0.14 C ATOM 350 O TYR A 22 38.231 33.813 10.614 1.00 0.15 O ATOM 351 CB TYR A 22 35.642 31.956 10.577 1.00 0.11 C ATOM 352 CG TYR A 22 34.430 31.240 9.995 1.00 0.11 C ATOM 353 CD1 TYR A 22 33.328 31.961 9.498 1.00 0.12 C ATOM 354 CD2 TYR A 22 34.406 29.836 9.967 1.00 0.11 C ATOM 355 CE1 TYR A 22 32.221 31.278 8.977 1.00 0.13 C ATOM 356 CE2 TYR A 22 33.298 29.160 9.446 1.00 0.12 C ATOM 357 CZ TYR A 22 32.207 29.880 8.951 1.00 0.13 C ATOM 358 OH TYR A 22 31.115 29.210 8.437 1.00 0.15 O ATOM 0 H TYR A 22 37.502 31.374 8.952 1.00 0.15 H new ATOM 0 HA TYR A 22 35.435 33.468 9.034 1.00 0.13 H new ATOM 0 HB2 TYR A 22 36.404 31.223 10.842 1.00 0.11 H new ATOM 0 HB3 TYR A 22 35.356 32.465 11.497 1.00 0.11 H new ATOM 0 HD1 TYR A 22 33.336 33.041 9.518 1.00 0.12 H new ATOM 0 HD2 TYR A 22 35.247 29.276 10.349 1.00 0.11 H new ATOM 0 HE1 TYR A 22 31.377 31.833 8.595 1.00 0.13 H new ATOM 0 HE2 TYR A 22 33.285 28.080 9.426 1.00 0.12 H new ATOM 0 HH TYR A 22 30.469 29.039 9.154 1.00 0.15 H new ATOM 368 N PRO A 23 36.419 35.092 10.844 1.00 0.14 N ATOM 369 CA PRO A 23 37.112 36.117 11.652 1.00 0.16 C ATOM 370 C PRO A 23 37.614 35.494 12.968 1.00 0.16 C ATOM 371 O PRO A 23 37.376 34.338 13.251 1.00 0.15 O ATOM 372 CB PRO A 23 36.048 37.205 11.924 1.00 0.17 C ATOM 373 CG PRO A 23 34.695 36.676 11.373 1.00 0.15 C ATOM 374 CD PRO A 23 34.992 35.380 10.586 1.00 0.14 C ATOM 0 HA PRO A 23 37.984 36.531 11.145 1.00 0.16 H new ATOM 0 HB2 PRO A 23 35.974 37.411 12.992 1.00 0.17 H new ATOM 0 HB3 PRO A 23 36.322 38.141 11.437 1.00 0.17 H new ATOM 0 HG2 PRO A 23 33.999 36.479 12.188 1.00 0.15 H new ATOM 0 HG3 PRO A 23 34.227 37.419 10.727 1.00 0.15 H new ATOM 0 HD2 PRO A 23 34.357 34.560 10.922 1.00 0.14 H new ATOM 0 HD3 PRO A 23 34.803 35.513 9.521 1.00 0.14 H new ATOM 382 N TRP A 24 38.310 36.261 13.760 1.00 0.18 N ATOM 383 CA TRP A 24 38.845 35.738 15.056 1.00 0.19 C ATOM 384 C TRP A 24 37.748 35.713 16.128 1.00 0.19 C ATOM 385 O TRP A 24 37.912 35.120 17.176 1.00 0.21 O ATOM 386 CB TRP A 24 39.986 36.645 15.527 1.00 0.21 C ATOM 387 CG TRP A 24 40.493 36.170 16.851 1.00 0.28 C ATOM 388 CD1 TRP A 24 40.210 36.746 18.042 1.00 0.34 C ATOM 389 CD2 TRP A 24 41.364 35.039 17.140 1.00 0.33 C ATOM 390 NE1 TRP A 24 40.851 36.038 19.044 1.00 0.42 N ATOM 391 CE2 TRP A 24 41.575 34.977 18.538 1.00 0.42 C ATOM 392 CE3 TRP A 24 41.986 34.070 16.333 1.00 0.35 C ATOM 393 CZ2 TRP A 24 42.374 33.989 19.114 1.00 0.50 C ATOM 394 CZ3 TRP A 24 42.790 33.073 16.909 1.00 0.45 C ATOM 395 CH2 TRP A 24 42.984 33.034 18.298 1.00 0.52 C ATOM 0 H TRP A 24 38.535 37.237 13.566 1.00 0.18 H new ATOM 0 HA TRP A 24 39.205 34.721 14.902 1.00 0.19 H new ATOM 0 HB2 TRP A 24 40.793 36.640 14.795 1.00 0.21 H new ATOM 0 HB3 TRP A 24 39.636 37.674 15.609 1.00 0.21 H new ATOM 0 HD1 TRP A 24 39.586 37.616 18.187 1.00 0.34 H new ATOM 0 HE1 TRP A 24 40.795 36.272 20.035 1.00 0.42 H new ATOM 0 HE3 TRP A 24 41.844 34.093 15.263 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 42.520 33.963 20.184 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 43.261 32.333 16.280 1.00 0.45 H new ATOM 0 HH2 TRP A 24 43.605 32.266 18.736 1.00 0.52 H new ATOM 406 N GLU A 25 36.645 36.367 15.894 1.00 0.18 N ATOM 407 CA GLU A 25 35.564 36.392 16.926 1.00 0.21 C ATOM 408 C GLU A 25 34.771 35.077 16.935 1.00 0.17 C ATOM 409 O GLU A 25 34.019 34.815 17.852 1.00 0.20 O ATOM 410 CB GLU A 25 34.613 37.555 16.631 1.00 0.29 C ATOM 411 CG GLU A 25 33.472 37.555 17.651 1.00 1.15 C ATOM 412 CD GLU A 25 32.754 38.906 17.619 1.00 1.55 C ATOM 413 OE1 GLU A 25 31.954 39.109 16.721 1.00 2.18 O ATOM 414 OE2 GLU A 25 33.017 39.714 18.494 1.00 1.97 O ATOM 0 H GLU A 25 36.443 36.884 15.038 1.00 0.18 H new ATOM 0 HA GLU A 25 36.026 36.519 17.905 1.00 0.21 H new ATOM 0 HB2 GLU A 25 35.154 38.500 16.675 1.00 0.29 H new ATOM 0 HB3 GLU A 25 34.212 37.463 15.622 1.00 0.29 H new ATOM 0 HG2 GLU A 25 32.769 36.753 17.425 1.00 1.15 H new ATOM 0 HG3 GLU A 25 33.864 37.364 18.650 1.00 1.15 H new ATOM 421 N LEU A 26 34.913 34.251 15.927 1.00 0.13 N ATOM 422 CA LEU A 26 34.141 32.963 15.894 1.00 0.11 C ATOM 423 C LEU A 26 34.996 31.804 16.409 1.00 0.10 C ATOM 424 O LEU A 26 34.809 30.670 16.017 1.00 0.11 O ATOM 425 CB LEU A 26 33.713 32.656 14.460 1.00 0.10 C ATOM 426 CG LEU A 26 33.116 33.905 13.812 1.00 0.10 C ATOM 427 CD1 LEU A 26 32.472 33.516 12.484 1.00 0.11 C ATOM 428 CD2 LEU A 26 32.052 34.519 14.733 1.00 0.12 C ATOM 0 H LEU A 26 35.527 34.409 15.128 1.00 0.13 H new ATOM 0 HA LEU A 26 33.266 33.075 16.534 1.00 0.11 H new ATOM 0 HB2 LEU A 26 34.570 32.311 13.882 1.00 0.10 H new ATOM 0 HB3 LEU A 26 32.980 31.849 14.456 1.00 0.10 H new ATOM 0 HG LEU A 26 33.906 34.638 13.644 1.00 0.10 H new ATOM 0 HD11 LEU A 26 32.043 34.401 12.014 1.00 0.11 H new ATOM 0 HD12 LEU A 26 33.227 33.086 11.826 1.00 0.11 H new ATOM 0 HD13 LEU A 26 31.685 32.783 12.662 1.00 0.11 H new ATOM 0 HD21 LEU A 26 31.633 35.408 14.262 1.00 0.12 H new ATOM 0 HD22 LEU A 26 31.258 33.792 14.907 1.00 0.12 H new ATOM 0 HD23 LEU A 26 32.508 34.793 15.684 1.00 0.12 H new ATOM 440 N MET A 27 35.925 32.064 17.284 1.00 0.12 N ATOM 441 CA MET A 27 36.763 30.957 17.805 1.00 0.13 C ATOM 442 C MET A 27 35.939 30.025 18.736 1.00 0.11 C ATOM 443 O MET A 27 36.135 28.827 18.692 1.00 0.13 O ATOM 444 CB MET A 27 37.990 31.536 18.546 1.00 0.18 C ATOM 445 CG MET A 27 39.149 31.735 17.563 1.00 0.19 C ATOM 446 SD MET A 27 39.887 30.131 17.172 1.00 1.17 S ATOM 447 CE MET A 27 41.038 30.071 18.565 1.00 0.31 C ATOM 0 H MET A 27 36.138 32.989 17.657 1.00 0.12 H new ATOM 0 HA MET A 27 37.111 30.355 16.966 1.00 0.13 H new ATOM 0 HB2 MET A 27 37.729 32.487 19.011 1.00 0.18 H new ATOM 0 HB3 MET A 27 38.293 30.862 19.347 1.00 0.18 H new ATOM 0 HG2 MET A 27 38.790 32.214 16.652 1.00 0.19 H new ATOM 0 HG3 MET A 27 39.899 32.397 17.997 1.00 0.19 H new ATOM 0 HE1 MET A 27 42.049 30.275 18.211 1.00 0.31 H new ATOM 0 HE2 MET A 27 40.754 30.821 19.304 1.00 0.31 H new ATOM 0 HE3 MET A 27 41.006 29.082 19.021 1.00 0.31 H new ATOM 457 N PRO A 28 35.044 30.566 19.559 1.00 0.10 N ATOM 458 CA PRO A 28 34.234 29.723 20.473 1.00 0.09 C ATOM 459 C PRO A 28 33.426 28.672 19.697 1.00 0.10 C ATOM 460 O PRO A 28 33.106 27.625 20.217 1.00 0.19 O ATOM 461 CB PRO A 28 33.305 30.717 21.204 1.00 0.09 C ATOM 462 CG PRO A 28 33.853 32.136 20.911 1.00 0.11 C ATOM 463 CD PRO A 28 34.762 32.017 19.673 1.00 0.11 C ATOM 0 HA PRO A 28 34.857 29.158 21.167 1.00 0.09 H new ATOM 0 HB2 PRO A 28 32.278 30.618 20.851 1.00 0.09 H new ATOM 0 HB3 PRO A 28 33.294 30.520 22.276 1.00 0.09 H new ATOM 0 HG2 PRO A 28 33.037 32.834 20.725 1.00 0.11 H new ATOM 0 HG3 PRO A 28 34.412 32.518 21.765 1.00 0.11 H new ATOM 0 HD2 PRO A 28 34.267 32.397 18.779 1.00 0.11 H new ATOM 0 HD3 PRO A 28 35.680 32.591 19.798 1.00 0.11 H new ATOM 471 N LEU A 29 33.084 28.935 18.469 1.00 0.11 N ATOM 472 CA LEU A 29 32.297 27.931 17.698 1.00 0.09 C ATOM 473 C LEU A 29 33.244 26.852 17.176 1.00 0.10 C ATOM 474 O LEU A 29 33.005 25.673 17.347 1.00 0.19 O ATOM 475 CB LEU A 29 31.578 28.624 16.541 1.00 0.08 C ATOM 476 CG LEU A 29 30.747 29.793 17.091 1.00 0.08 C ATOM 477 CD1 LEU A 29 30.141 30.576 15.925 1.00 0.09 C ATOM 478 CD2 LEU A 29 29.622 29.257 17.996 1.00 0.08 C ATOM 0 H LEU A 29 33.312 29.793 17.967 1.00 0.11 H new ATOM 0 HA LEU A 29 31.549 27.466 18.340 1.00 0.09 H new ATOM 0 HB2 LEU A 29 32.303 28.988 15.813 1.00 0.08 H new ATOM 0 HB3 LEU A 29 30.932 27.916 16.022 1.00 0.08 H new ATOM 0 HG LEU A 29 31.391 30.449 17.677 1.00 0.08 H new ATOM 0 HD11 LEU A 29 29.551 31.406 16.312 1.00 0.09 H new ATOM 0 HD12 LEU A 29 30.940 30.963 15.292 1.00 0.09 H new ATOM 0 HD13 LEU A 29 29.500 29.918 15.339 1.00 0.09 H new ATOM 0 HD21 LEU A 29 29.037 30.092 18.382 1.00 0.08 H new ATOM 0 HD22 LEU A 29 28.975 28.596 17.419 1.00 0.08 H new ATOM 0 HD23 LEU A 29 30.057 28.703 18.828 1.00 0.08 H new ATOM 490 N MET A 30 34.331 27.236 16.571 1.00 0.10 N ATOM 491 CA MET A 30 35.292 26.216 16.082 1.00 0.12 C ATOM 492 C MET A 30 35.740 25.382 17.282 1.00 0.10 C ATOM 493 O MET A 30 36.155 24.248 17.153 1.00 0.11 O ATOM 494 CB MET A 30 36.509 26.909 15.473 1.00 0.16 C ATOM 495 CG MET A 30 36.074 27.856 14.362 1.00 0.19 C ATOM 496 SD MET A 30 35.546 26.895 12.919 1.00 1.16 S ATOM 497 CE MET A 30 33.928 27.669 12.689 1.00 0.20 C ATOM 0 H MET A 30 34.593 28.206 16.395 1.00 0.10 H new ATOM 0 HA MET A 30 34.824 25.586 15.325 1.00 0.12 H new ATOM 0 HB2 MET A 30 37.045 27.463 16.244 1.00 0.16 H new ATOM 0 HB3 MET A 30 37.200 26.165 15.077 1.00 0.16 H new ATOM 0 HG2 MET A 30 35.257 28.489 14.709 1.00 0.19 H new ATOM 0 HG3 MET A 30 36.897 28.517 14.090 1.00 0.19 H new ATOM 0 HE1 MET A 30 33.486 27.318 11.756 1.00 0.20 H new ATOM 0 HE2 MET A 30 33.276 27.404 13.521 1.00 0.20 H new ATOM 0 HE3 MET A 30 34.045 28.752 12.650 1.00 0.20 H new ATOM 507 N TYR A 31 35.654 25.954 18.453 1.00 0.09 N ATOM 508 CA TYR A 31 36.066 25.230 19.686 1.00 0.09 C ATOM 509 C TYR A 31 35.062 24.112 19.971 1.00 0.09 C ATOM 510 O TYR A 31 35.428 22.978 20.209 1.00 0.10 O ATOM 511 CB TYR A 31 36.084 26.223 20.855 1.00 0.09 C ATOM 512 CG TYR A 31 36.244 25.497 22.169 1.00 0.10 C ATOM 513 CD1 TYR A 31 37.521 25.256 22.684 1.00 0.11 C ATOM 514 CD2 TYR A 31 35.111 25.078 22.877 1.00 0.10 C ATOM 515 CE1 TYR A 31 37.668 24.592 23.907 1.00 0.12 C ATOM 516 CE2 TYR A 31 35.257 24.416 24.101 1.00 0.11 C ATOM 517 CZ TYR A 31 36.535 24.172 24.616 1.00 0.12 C ATOM 518 OH TYR A 31 36.680 23.520 25.824 1.00 0.14 O ATOM 0 H TYR A 31 35.312 26.902 18.607 1.00 0.09 H new ATOM 0 HA TYR A 31 37.058 24.796 19.557 1.00 0.09 H new ATOM 0 HB2 TYR A 31 36.901 26.932 20.724 1.00 0.09 H new ATOM 0 HB3 TYR A 31 35.159 26.800 20.863 1.00 0.09 H new ATOM 0 HD1 TYR A 31 38.394 25.582 22.138 1.00 0.11 H new ATOM 0 HD2 TYR A 31 34.125 25.266 22.479 1.00 0.10 H new ATOM 0 HE1 TYR A 31 38.654 24.403 24.304 1.00 0.12 H new ATOM 0 HE2 TYR A 31 34.384 24.093 24.648 1.00 0.11 H new ATOM 0 HH TYR A 31 35.796 23.298 26.184 1.00 0.14 H new ATOM 528 N VAL A 32 33.799 24.427 19.950 1.00 0.09 N ATOM 529 CA VAL A 32 32.769 23.391 20.221 1.00 0.09 C ATOM 530 C VAL A 32 32.793 22.339 19.110 1.00 0.09 C ATOM 531 O VAL A 32 32.879 21.155 19.367 1.00 0.12 O ATOM 532 CB VAL A 32 31.388 24.048 20.274 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.321 22.967 20.441 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.326 25.024 21.458 1.00 0.12 C ATOM 0 H VAL A 32 33.435 25.360 19.756 1.00 0.09 H new ATOM 0 HA VAL A 32 32.981 22.911 21.176 1.00 0.09 H new ATOM 0 HB VAL A 32 31.209 24.596 19.349 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.336 23.431 20.479 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.365 22.279 19.597 1.00 0.09 H new ATOM 0 HG13 VAL A 32 30.500 22.419 21.366 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.342 25.491 21.494 1.00 0.12 H new ATOM 0 HG22 VAL A 32 31.504 24.481 22.386 1.00 0.12 H new ATOM 0 HG23 VAL A 32 32.088 25.794 21.335 1.00 0.12 H new ATOM 544 N ILE A 33 32.712 22.760 17.877 1.00 0.09 N ATOM 545 CA ILE A 33 32.725 21.783 16.753 1.00 0.09 C ATOM 546 C ILE A 33 33.854 20.758 16.966 1.00 0.10 C ATOM 547 O ILE A 33 33.608 19.572 17.048 1.00 0.11 O ATOM 548 CB ILE A 33 32.899 22.552 15.438 1.00 0.09 C ATOM 549 CG1 ILE A 33 31.666 23.445 15.238 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.016 21.572 14.271 1.00 0.10 C ATOM 551 CD1 ILE A 33 31.864 24.380 14.041 1.00 0.09 C ATOM 0 H ILE A 33 32.637 23.739 17.600 1.00 0.09 H new ATOM 0 HA ILE A 33 31.786 21.232 16.713 1.00 0.09 H new ATOM 0 HB ILE A 33 33.805 23.157 15.477 1.00 0.09 H new ATOM 0 HG12 ILE A 33 30.784 22.825 15.080 1.00 0.10 H new ATOM 0 HG13 ILE A 33 31.486 24.032 16.139 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.139 22.127 13.341 1.00 0.10 H new ATOM 0 HG22 ILE A 33 33.879 20.925 14.425 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.113 20.965 14.214 1.00 0.10 H new ATOM 0 HD11 ILE A 33 30.979 25.004 13.917 1.00 0.09 H new ATOM 0 HD12 ILE A 33 32.734 25.014 14.214 1.00 0.09 H new ATOM 0 HD13 ILE A 33 32.020 23.788 13.139 1.00 0.09 H new ATOM 563 N LEU A 34 35.082 21.195 17.082 1.00 0.10 N ATOM 564 CA LEU A 34 36.200 20.228 17.318 1.00 0.11 C ATOM 565 C LEU A 34 35.916 19.451 18.617 1.00 0.13 C ATOM 566 O LEU A 34 36.154 18.264 18.701 1.00 0.20 O ATOM 567 CB LEU A 34 37.526 21.035 17.451 1.00 0.09 C ATOM 568 CG LEU A 34 38.457 20.978 16.185 1.00 0.09 C ATOM 569 CD1 LEU A 34 37.711 20.628 14.882 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.137 22.343 16.011 1.00 0.10 C ATOM 0 H LEU A 34 35.360 22.175 17.024 1.00 0.10 H new ATOM 0 HA LEU A 34 36.286 19.522 16.492 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.283 22.077 17.660 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.080 20.659 18.311 1.00 0.09 H new ATOM 0 HG LEU A 34 39.179 20.181 16.360 1.00 0.09 H new ATOM 0 HD11 LEU A 34 38.418 20.607 14.052 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.241 19.650 14.983 1.00 0.10 H new ATOM 0 HD13 LEU A 34 36.946 21.379 14.688 1.00 0.10 H new ATOM 0 HD21 LEU A 34 39.786 22.317 15.136 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.378 23.113 15.877 1.00 0.10 H new ATOM 0 HD23 LEU A 34 39.731 22.569 16.897 1.00 0.10 H new ATOM 582 N LYS A 35 35.419 20.109 19.625 1.00 0.12 N ATOM 583 CA LYS A 35 35.135 19.400 20.908 1.00 0.15 C ATOM 584 C LYS A 35 34.231 18.189 20.655 1.00 0.21 C ATOM 585 O LYS A 35 34.364 17.163 21.293 1.00 0.29 O ATOM 586 CB LYS A 35 34.438 20.362 21.875 1.00 0.13 C ATOM 587 CG LYS A 35 34.493 19.791 23.298 1.00 0.17 C ATOM 588 CD LYS A 35 33.886 20.795 24.295 1.00 0.26 C ATOM 589 CE LYS A 35 32.362 20.640 24.337 1.00 0.80 C ATOM 590 NZ LYS A 35 32.016 19.254 24.764 1.00 1.49 N ATOM 0 H LYS A 35 35.197 21.104 19.619 1.00 0.12 H new ATOM 0 HA LYS A 35 36.075 19.056 21.340 1.00 0.15 H new ATOM 0 HB2 LYS A 35 34.922 21.338 21.845 1.00 0.13 H new ATOM 0 HB3 LYS A 35 33.402 20.511 21.572 1.00 0.13 H new ATOM 0 HG2 LYS A 35 33.947 18.849 23.341 1.00 0.17 H new ATOM 0 HG3 LYS A 35 35.526 19.574 23.572 1.00 0.17 H new ATOM 0 HD2 LYS A 35 34.303 20.630 25.288 1.00 0.26 H new ATOM 0 HD3 LYS A 35 34.148 21.812 24.004 1.00 0.26 H new ATOM 0 HE2 LYS A 35 31.931 21.364 25.029 1.00 0.80 H new ATOM 0 HE3 LYS A 35 31.937 20.846 23.355 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 31.108 19.263 25.271 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 31.939 18.642 23.927 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 32.759 18.889 25.393 1.00 1.49 H new ATOM 604 N ASP A 36 33.307 18.297 19.739 1.00 0.24 N ATOM 605 CA ASP A 36 32.393 17.149 19.460 1.00 0.32 C ATOM 606 C ASP A 36 33.022 16.212 18.428 1.00 0.26 C ATOM 607 O ASP A 36 32.920 15.005 18.526 1.00 0.36 O ATOM 608 CB ASP A 36 31.071 17.676 18.908 1.00 0.42 C ATOM 609 CG ASP A 36 30.325 18.441 20.002 1.00 0.84 C ATOM 610 OD1 ASP A 36 29.985 17.829 21.001 1.00 1.42 O ATOM 611 OD2 ASP A 36 30.105 19.628 19.822 1.00 1.56 O ATOM 0 H ASP A 36 33.145 19.129 19.172 1.00 0.24 H new ATOM 0 HA ASP A 36 32.221 16.602 20.387 1.00 0.32 H new ATOM 0 HB2 ASP A 36 31.256 18.329 18.055 1.00 0.42 H new ATOM 0 HB3 ASP A 36 30.460 16.848 18.548 1.00 0.42 H new ATOM 616 N ALA A 37 33.654 16.759 17.430 1.00 0.18 N ATOM 617 CA ALA A 37 34.271 15.907 16.377 1.00 0.17 C ATOM 618 C ALA A 37 35.575 15.306 16.886 1.00 0.16 C ATOM 619 O ALA A 37 36.529 15.168 16.146 1.00 0.21 O ATOM 620 CB ALA A 37 34.578 16.771 15.158 1.00 0.19 C ATOM 0 H ALA A 37 33.771 17.764 17.297 1.00 0.18 H new ATOM 0 HA ALA A 37 33.579 15.106 16.116 1.00 0.17 H new ATOM 0 HB1 ALA A 37 35.031 16.156 14.380 1.00 0.19 H new ATOM 0 HB2 ALA A 37 33.654 17.210 14.781 1.00 0.19 H new ATOM 0 HB3 ALA A 37 35.269 17.566 15.440 1.00 0.19 H new ATOM 626 N ASP A 38 35.647 14.961 18.138 1.00 0.18 N ATOM 627 CA ASP A 38 36.917 14.390 18.656 1.00 0.20 C ATOM 628 C ASP A 38 38.048 15.351 18.285 1.00 0.18 C ATOM 629 O ASP A 38 39.213 15.005 18.289 1.00 0.22 O ATOM 630 CB ASP A 38 37.154 13.015 18.011 1.00 0.25 C ATOM 631 CG ASP A 38 38.045 12.159 18.916 1.00 1.00 C ATOM 632 OD1 ASP A 38 37.806 12.150 20.112 1.00 1.82 O ATOM 633 OD2 ASP A 38 38.951 11.528 18.396 1.00 1.65 O ATOM 0 H ASP A 38 34.892 15.048 18.818 1.00 0.18 H new ATOM 0 HA ASP A 38 36.876 14.264 19.738 1.00 0.20 H new ATOM 0 HB2 ASP A 38 36.201 12.513 17.845 1.00 0.25 H new ATOM 0 HB3 ASP A 38 37.624 13.138 17.035 1.00 0.25 H new ATOM 638 N ALA A 39 37.685 16.557 17.947 1.00 0.14 N ATOM 639 CA ALA A 39 38.683 17.577 17.548 1.00 0.14 C ATOM 640 C ALA A 39 39.366 17.143 16.251 1.00 0.14 C ATOM 641 O ALA A 39 40.367 17.699 15.847 1.00 0.16 O ATOM 642 CB ALA A 39 39.719 17.756 18.654 1.00 0.16 C ATOM 0 H ALA A 39 36.718 16.881 17.932 1.00 0.14 H new ATOM 0 HA ALA A 39 38.179 18.530 17.386 1.00 0.14 H new ATOM 0 HB1 ALA A 39 40.448 18.508 18.351 1.00 0.16 H new ATOM 0 HB2 ALA A 39 39.222 18.080 19.569 1.00 0.16 H new ATOM 0 HB3 ALA A 39 40.227 16.809 18.833 1.00 0.16 H new ATOM 648 N ASN A 40 38.824 16.156 15.590 1.00 0.14 N ATOM 649 CA ASN A 40 39.433 15.692 14.314 1.00 0.16 C ATOM 650 C ASN A 40 39.001 16.632 13.190 1.00 0.14 C ATOM 651 O ASN A 40 37.922 16.511 12.645 1.00 0.15 O ATOM 652 CB ASN A 40 38.958 14.268 14.007 1.00 0.20 C ATOM 653 CG ASN A 40 39.891 13.623 12.978 1.00 0.78 C ATOM 654 OD1 ASN A 40 40.736 14.371 12.322 1.00 1.77 O flip ATOM 655 ND2 ASN A 40 39.849 12.427 12.768 1.00 1.19 N flip ATOM 0 H ASN A 40 37.986 15.652 15.880 1.00 0.14 H new ATOM 0 HA ASN A 40 40.520 15.694 14.399 1.00 0.16 H new ATOM 0 HB2 ASN A 40 38.943 13.674 14.921 1.00 0.20 H new ATOM 0 HB3 ASN A 40 37.938 14.289 13.624 1.00 0.20 H new ATOM 0 HD21 ASN A 40 39.189 11.842 13.280 1.00 1.19 H new ATOM 0 HD22 ASN A 40 40.474 12.008 12.079 1.00 1.19 H new ATOM 662 N ILE A 41 39.831 17.573 12.846 1.00 0.13 N ATOM 663 CA ILE A 41 39.469 18.529 11.766 1.00 0.12 C ATOM 664 C ILE A 41 38.926 17.768 10.553 1.00 0.13 C ATOM 665 O ILE A 41 37.873 18.081 10.034 1.00 0.14 O ATOM 666 CB ILE A 41 40.706 19.334 11.380 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.100 20.206 12.584 1.00 0.13 C ATOM 668 CG2 ILE A 41 40.382 20.205 10.156 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.355 21.022 12.272 1.00 0.16 C ATOM 0 H ILE A 41 40.748 17.722 13.267 1.00 0.13 H new ATOM 0 HA ILE A 41 38.693 19.208 12.120 1.00 0.12 H new ATOM 0 HB ILE A 41 41.536 18.677 11.120 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.279 20.876 12.839 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.278 19.574 13.454 1.00 0.13 H new ATOM 0 HG21 ILE A 41 41.263 20.782 9.877 1.00 0.15 H new ATOM 0 HG22 ILE A 41 40.087 19.567 9.323 1.00 0.15 H new ATOM 0 HG23 ILE A 41 39.565 20.885 10.399 1.00 0.15 H new ATOM 0 HD11 ILE A 41 42.617 21.632 13.137 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.179 20.347 12.041 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.165 21.669 11.416 1.00 0.16 H new ATOM 681 N GLU A 42 39.632 16.773 10.097 1.00 0.15 N ATOM 682 CA GLU A 42 39.158 15.995 8.925 1.00 0.16 C ATOM 683 C GLU A 42 37.704 15.586 9.140 1.00 0.16 C ATOM 684 O GLU A 42 36.951 15.470 8.205 1.00 0.19 O ATOM 685 CB GLU A 42 40.025 14.746 8.752 1.00 0.19 C ATOM 686 CG GLU A 42 41.410 15.152 8.244 1.00 0.26 C ATOM 687 CD GLU A 42 42.370 13.968 8.373 1.00 1.04 C ATOM 688 OE1 GLU A 42 42.048 12.911 7.857 1.00 1.67 O ATOM 689 OE2 GLU A 42 43.411 14.139 8.986 1.00 1.80 O ATOM 0 H GLU A 42 40.522 16.465 10.489 1.00 0.15 H new ATOM 0 HA GLU A 42 39.232 16.610 8.028 1.00 0.16 H new ATOM 0 HB2 GLU A 42 40.115 14.218 9.702 1.00 0.19 H new ATOM 0 HB3 GLU A 42 39.555 14.059 8.048 1.00 0.19 H new ATOM 0 HG2 GLU A 42 41.348 15.471 7.204 1.00 0.26 H new ATOM 0 HG3 GLU A 42 41.784 16.001 8.816 1.00 0.26 H new ATOM 696 N GLU A 43 37.299 15.367 10.364 1.00 0.15 N ATOM 697 CA GLU A 43 35.879 14.975 10.625 1.00 0.16 C ATOM 698 C GLU A 43 35.034 16.240 10.812 1.00 0.15 C ATOM 699 O GLU A 43 33.947 16.360 10.282 1.00 0.21 O ATOM 700 CB GLU A 43 35.802 14.116 11.893 1.00 0.18 C ATOM 701 CG GLU A 43 34.484 13.336 11.910 1.00 0.33 C ATOM 702 CD GLU A 43 34.567 12.168 10.925 1.00 1.21 C ATOM 703 OE1 GLU A 43 34.294 12.384 9.755 1.00 1.84 O ATOM 704 OE2 GLU A 43 34.903 11.077 11.357 1.00 1.95 O ATOM 0 H GLU A 43 37.888 15.442 11.194 1.00 0.15 H new ATOM 0 HA GLU A 43 35.500 14.400 9.780 1.00 0.16 H new ATOM 0 HB2 GLU A 43 36.645 13.425 11.928 1.00 0.18 H new ATOM 0 HB3 GLU A 43 35.872 14.749 12.777 1.00 0.18 H new ATOM 0 HG2 GLU A 43 34.283 12.964 12.915 1.00 0.33 H new ATOM 0 HG3 GLU A 43 33.657 13.993 11.642 1.00 0.33 H new ATOM 711 N ALA A 44 35.525 17.181 11.574 1.00 0.13 N ATOM 712 CA ALA A 44 34.750 18.438 11.805 1.00 0.14 C ATOM 713 C ALA A 44 34.610 19.215 10.489 1.00 0.16 C ATOM 714 O ALA A 44 33.553 19.719 10.166 1.00 0.20 O ATOM 715 CB ALA A 44 35.484 19.309 12.843 1.00 0.14 C ATOM 0 H ALA A 44 36.428 17.135 12.046 1.00 0.13 H new ATOM 0 HA ALA A 44 33.757 18.185 12.177 1.00 0.14 H new ATOM 0 HB1 ALA A 44 34.920 20.226 13.012 1.00 0.14 H new ATOM 0 HB2 ALA A 44 35.574 18.760 13.780 1.00 0.14 H new ATOM 0 HB3 ALA A 44 36.478 19.558 12.471 1.00 0.14 H new ATOM 721 N SER A 45 35.670 19.334 9.743 1.00 0.16 N ATOM 722 CA SER A 45 35.600 20.099 8.465 1.00 0.21 C ATOM 723 C SER A 45 34.455 19.575 7.596 1.00 0.20 C ATOM 724 O SER A 45 33.941 20.279 6.749 1.00 0.32 O ATOM 725 CB SER A 45 36.923 19.953 7.711 1.00 0.26 C ATOM 726 OG SER A 45 36.686 20.093 6.317 1.00 1.01 O ATOM 0 H SER A 45 36.583 18.935 9.961 1.00 0.16 H new ATOM 0 HA SER A 45 35.419 21.150 8.690 1.00 0.21 H new ATOM 0 HB2 SER A 45 37.633 20.708 8.049 1.00 0.26 H new ATOM 0 HB3 SER A 45 37.369 18.981 7.920 1.00 0.26 H new ATOM 0 HG SER A 45 37.532 20.002 5.831 1.00 1.01 H new ATOM 732 N ARG A 46 34.049 18.350 7.786 1.00 0.18 N ATOM 733 CA ARG A 46 32.938 17.808 6.952 1.00 0.20 C ATOM 734 C ARG A 46 31.606 18.327 7.501 1.00 0.16 C ATOM 735 O ARG A 46 30.740 18.754 6.763 1.00 0.22 O ATOM 736 CB ARG A 46 32.955 16.268 6.982 1.00 0.23 C ATOM 737 CG ARG A 46 34.393 15.752 7.141 1.00 0.85 C ATOM 738 CD ARG A 46 35.327 16.338 6.067 1.00 1.14 C ATOM 739 NE ARG A 46 34.636 16.369 4.735 1.00 1.59 N ATOM 740 CZ ARG A 46 34.155 15.283 4.189 1.00 2.17 C ATOM 741 NH1 ARG A 46 34.387 14.116 4.724 1.00 2.66 N ATOM 742 NH2 ARG A 46 33.474 15.364 3.078 1.00 2.87 N ATOM 0 H ARG A 46 34.434 17.705 8.476 1.00 0.18 H new ATOM 0 HA ARG A 46 33.063 18.135 5.920 1.00 0.20 H new ATOM 0 HB2 ARG A 46 32.339 15.907 7.806 1.00 0.23 H new ATOM 0 HB3 ARG A 46 32.520 15.875 6.063 1.00 0.23 H new ATOM 0 HG2 ARG A 46 34.767 16.014 8.131 1.00 0.85 H new ATOM 0 HG3 ARG A 46 34.399 14.664 7.075 1.00 0.85 H new ATOM 0 HD2 ARG A 46 35.630 17.346 6.350 1.00 1.14 H new ATOM 0 HD3 ARG A 46 36.235 15.739 5.999 1.00 1.14 H new ATOM 0 HE ARG A 46 34.539 17.258 4.244 1.00 1.59 H new ATOM 0 HH11 ARG A 46 34.947 14.047 5.574 1.00 2.66 H new ATOM 0 HH12 ARG A 46 34.008 13.273 4.293 1.00 2.66 H new ATOM 0 HH21 ARG A 46 33.319 16.272 2.640 1.00 2.87 H new ATOM 0 HH22 ARG A 46 33.097 14.519 2.648 1.00 2.87 H new ATOM 756 N ARG A 47 31.441 18.297 8.795 1.00 0.13 N ATOM 757 CA ARG A 47 30.170 18.792 9.396 1.00 0.13 C ATOM 758 C ARG A 47 29.907 20.216 8.909 1.00 0.11 C ATOM 759 O ARG A 47 28.905 20.497 8.283 1.00 0.13 O ATOM 760 CB ARG A 47 30.284 18.795 10.923 1.00 0.18 C ATOM 761 CG ARG A 47 30.869 17.464 11.406 1.00 0.49 C ATOM 762 CD ARG A 47 30.867 17.427 12.937 1.00 0.62 C ATOM 763 NE ARG A 47 31.039 16.020 13.396 1.00 0.81 N ATOM 764 CZ ARG A 47 31.335 15.770 14.642 1.00 1.20 C ATOM 765 NH1 ARG A 47 31.480 16.752 15.489 1.00 1.99 N ATOM 766 NH2 ARG A 47 31.483 14.536 15.042 1.00 1.63 N ATOM 0 H ARG A 47 32.131 17.951 9.462 1.00 0.13 H new ATOM 0 HA ARG A 47 29.350 18.139 9.097 1.00 0.13 H new ATOM 0 HB2 ARG A 47 30.919 19.620 11.247 1.00 0.18 H new ATOM 0 HB3 ARG A 47 29.302 18.954 11.369 1.00 0.18 H new ATOM 0 HG2 ARG A 47 30.284 16.633 11.011 1.00 0.49 H new ATOM 0 HG3 ARG A 47 31.885 17.344 11.031 1.00 0.49 H new ATOM 0 HD2 ARG A 47 31.671 18.050 13.328 1.00 0.62 H new ATOM 0 HD3 ARG A 47 29.932 17.835 13.321 1.00 0.62 H new ATOM 0 HE ARG A 47 30.925 15.251 12.735 1.00 0.81 H new ATOM 0 HH11 ARG A 47 31.362 17.716 15.177 1.00 1.99 H new ATOM 0 HH12 ARG A 47 31.711 16.556 16.463 1.00 1.99 H new ATOM 0 HH21 ARG A 47 31.367 13.768 14.381 1.00 1.63 H new ATOM 0 HH22 ARG A 47 31.714 14.340 16.016 1.00 1.63 H new ATOM 780 N ILE A 48 30.808 21.114 9.191 1.00 0.10 N ATOM 781 CA ILE A 48 30.627 22.524 8.746 1.00 0.10 C ATOM 782 C ILE A 48 30.244 22.540 7.268 1.00 0.11 C ATOM 783 O ILE A 48 29.198 23.032 6.893 1.00 0.13 O ATOM 784 CB ILE A 48 31.931 23.289 8.958 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.427 23.035 10.388 1.00 0.09 C ATOM 786 CG2 ILE A 48 31.669 24.781 8.755 1.00 0.11 C ATOM 787 CD1 ILE A 48 33.607 23.954 10.707 1.00 0.10 C ATOM 0 H ILE A 48 31.665 20.932 9.713 1.00 0.10 H new ATOM 0 HA ILE A 48 29.835 22.999 9.325 1.00 0.10 H new ATOM 0 HB ILE A 48 32.687 22.956 8.247 1.00 0.10 H new ATOM 0 HG12 ILE A 48 31.618 23.209 11.098 1.00 0.09 H new ATOM 0 HG13 ILE A 48 32.728 21.993 10.497 1.00 0.09 H new ATOM 0 HG21 ILE A 48 32.595 25.337 8.904 1.00 0.11 H new ATOM 0 HG22 ILE A 48 31.303 24.952 7.743 1.00 0.11 H new ATOM 0 HG23 ILE A 48 30.922 25.120 9.473 1.00 0.11 H new ATOM 0 HD11 ILE A 48 33.951 23.765 11.724 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.420 23.759 10.007 1.00 0.10 H new ATOM 0 HD13 ILE A 48 33.293 24.994 10.617 1.00 0.10 H new ATOM 799 N GLU A 49 31.072 21.988 6.427 1.00 0.11 N ATOM 800 CA GLU A 49 30.743 21.950 4.973 1.00 0.12 C ATOM 801 C GLU A 49 29.324 21.421 4.809 1.00 0.12 C ATOM 802 O GLU A 49 28.446 22.094 4.306 1.00 0.13 O ATOM 803 CB GLU A 49 31.704 20.995 4.274 1.00 0.13 C ATOM 804 CG GLU A 49 33.056 21.682 4.050 1.00 0.15 C ATOM 805 CD GLU A 49 32.969 22.612 2.838 1.00 0.17 C ATOM 806 OE1 GLU A 49 32.629 23.768 3.026 1.00 1.09 O ATOM 807 OE2 GLU A 49 33.243 22.151 1.742 1.00 1.08 O ATOM 0 H GLU A 49 31.963 21.561 6.682 1.00 0.11 H new ATOM 0 HA GLU A 49 30.828 22.948 4.543 1.00 0.12 H new ATOM 0 HB2 GLU A 49 31.839 20.096 4.876 1.00 0.13 H new ATOM 0 HB3 GLU A 49 31.285 20.679 3.319 1.00 0.13 H new ATOM 0 HG2 GLU A 49 33.337 22.250 4.937 1.00 0.15 H new ATOM 0 HG3 GLU A 49 33.833 20.934 3.891 1.00 0.15 H new ATOM 814 N GLU A 50 29.091 20.220 5.261 1.00 0.12 N ATOM 815 CA GLU A 50 27.726 19.644 5.167 1.00 0.13 C ATOM 816 C GLU A 50 26.770 20.646 5.793 1.00 0.12 C ATOM 817 O GLU A 50 25.589 20.648 5.535 1.00 0.12 O ATOM 818 CB GLU A 50 27.669 18.322 5.936 1.00 0.14 C ATOM 819 CG GLU A 50 26.279 17.701 5.784 1.00 0.17 C ATOM 820 CD GLU A 50 26.227 16.372 6.539 1.00 1.15 C ATOM 821 OE1 GLU A 50 26.918 15.454 6.131 1.00 2.03 O ATOM 822 OE2 GLU A 50 25.496 16.295 7.514 1.00 1.74 O ATOM 0 H GLU A 50 29.790 19.614 5.691 1.00 0.12 H new ATOM 0 HA GLU A 50 27.457 19.449 4.129 1.00 0.13 H new ATOM 0 HB2 GLU A 50 28.428 17.637 5.559 1.00 0.14 H new ATOM 0 HB3 GLU A 50 27.889 18.493 6.990 1.00 0.14 H new ATOM 0 HG2 GLU A 50 25.521 18.381 6.172 1.00 0.17 H new ATOM 0 HG3 GLU A 50 26.054 17.541 4.730 1.00 0.17 H new ATOM 829 N GLY A 51 27.299 21.513 6.608 1.00 0.11 N ATOM 830 CA GLY A 51 26.444 22.549 7.257 1.00 0.10 C ATOM 831 C GLY A 51 26.224 23.691 6.265 1.00 0.10 C ATOM 832 O GLY A 51 25.108 24.034 5.929 1.00 0.11 O ATOM 0 H GLY A 51 28.288 21.551 6.855 1.00 0.11 H new ATOM 0 HA2 GLY A 51 25.488 22.118 7.556 1.00 0.10 H new ATOM 0 HA3 GLY A 51 26.923 22.922 8.163 1.00 0.10 H new ATOM 836 N GLN A 52 27.290 24.267 5.776 1.00 0.10 N ATOM 837 CA GLN A 52 27.165 25.374 4.783 1.00 0.12 C ATOM 838 C GLN A 52 26.192 24.942 3.695 1.00 0.12 C ATOM 839 O GLN A 52 25.313 25.679 3.294 1.00 0.13 O ATOM 840 CB GLN A 52 28.540 25.647 4.168 1.00 0.14 C ATOM 841 CG GLN A 52 29.535 25.982 5.284 1.00 0.19 C ATOM 842 CD GLN A 52 29.269 27.395 5.799 1.00 0.42 C ATOM 843 OE1 GLN A 52 28.520 28.142 5.201 1.00 0.95 O ATOM 844 NE2 GLN A 52 29.856 27.798 6.893 1.00 0.39 N ATOM 0 H GLN A 52 28.247 24.017 6.023 1.00 0.10 H new ATOM 0 HA GLN A 52 26.798 26.280 5.265 1.00 0.12 H new ATOM 0 HB2 GLN A 52 28.881 24.775 3.610 1.00 0.14 H new ATOM 0 HB3 GLN A 52 28.477 26.474 3.460 1.00 0.14 H new ATOM 0 HG2 GLN A 52 29.440 25.263 6.098 1.00 0.19 H new ATOM 0 HG3 GLN A 52 30.556 25.906 4.910 1.00 0.19 H new ATOM 0 HE21 GLN A 52 30.485 27.171 7.395 1.00 0.39 H new ATOM 0 HE22 GLN A 52 29.686 28.740 7.246 1.00 0.39 H new ATOM 853 N TYR A 53 26.341 23.740 3.227 1.00 0.12 N ATOM 854 CA TYR A 53 25.420 23.232 2.173 1.00 0.13 C ATOM 855 C TYR A 53 23.980 23.241 2.717 1.00 0.13 C ATOM 856 O TYR A 53 23.066 23.691 2.058 1.00 0.15 O ATOM 857 CB TYR A 53 25.839 21.804 1.764 1.00 0.14 C ATOM 858 CG TYR A 53 24.683 21.091 1.091 1.00 0.15 C ATOM 859 CD1 TYR A 53 23.686 20.512 1.877 1.00 0.16 C ATOM 860 CD2 TYR A 53 24.604 21.019 -0.304 1.00 0.17 C ATOM 861 CE1 TYR A 53 22.605 19.862 1.282 1.00 0.18 C ATOM 862 CE2 TYR A 53 23.519 20.367 -0.907 1.00 0.19 C ATOM 863 CZ TYR A 53 22.519 19.789 -0.113 1.00 0.19 C ATOM 864 OH TYR A 53 21.451 19.147 -0.707 1.00 0.22 O ATOM 0 H TYR A 53 27.061 23.083 3.527 1.00 0.12 H new ATOM 0 HA TYR A 53 25.470 23.872 1.292 1.00 0.13 H new ATOM 0 HB2 TYR A 53 26.692 21.847 1.087 1.00 0.14 H new ATOM 0 HB3 TYR A 53 26.158 21.245 2.644 1.00 0.14 H new ATOM 0 HD1 TYR A 53 23.752 20.568 2.954 1.00 0.16 H new ATOM 0 HD2 TYR A 53 25.376 21.464 -0.914 1.00 0.17 H new ATOM 0 HE1 TYR A 53 21.836 19.416 1.896 1.00 0.18 H new ATOM 0 HE2 TYR A 53 23.454 20.310 -1.984 1.00 0.19 H new ATOM 0 HH TYR A 53 21.545 19.189 -1.682 1.00 0.22 H new ATOM 874 N VAL A 54 23.770 22.745 3.910 1.00 0.15 N ATOM 875 CA VAL A 54 22.384 22.734 4.469 1.00 0.14 C ATOM 876 C VAL A 54 21.809 24.147 4.403 1.00 0.14 C ATOM 877 O VAL A 54 20.833 24.407 3.727 1.00 0.15 O ATOM 878 CB VAL A 54 22.395 22.271 5.939 1.00 0.13 C ATOM 879 CG1 VAL A 54 20.968 22.377 6.493 1.00 0.14 C ATOM 880 CG2 VAL A 54 22.893 20.804 6.065 1.00 0.14 C ATOM 0 H VAL A 54 24.490 22.351 4.516 1.00 0.15 H new ATOM 0 HA VAL A 54 21.776 22.044 3.884 1.00 0.14 H new ATOM 0 HB VAL A 54 23.077 22.906 6.505 1.00 0.13 H new ATOM 0 HG11 VAL A 54 20.957 22.053 7.534 1.00 0.14 H new ATOM 0 HG12 VAL A 54 20.630 23.411 6.431 1.00 0.14 H new ATOM 0 HG13 VAL A 54 20.303 21.742 5.908 1.00 0.14 H new ATOM 0 HG21 VAL A 54 22.889 20.507 7.114 1.00 0.14 H new ATOM 0 HG22 VAL A 54 22.233 20.146 5.499 1.00 0.14 H new ATOM 0 HG23 VAL A 54 23.906 20.729 5.670 1.00 0.14 H new ATOM 890 N VAL A 55 22.411 25.059 5.108 1.00 0.15 N ATOM 891 CA VAL A 55 21.915 26.462 5.107 1.00 0.16 C ATOM 892 C VAL A 55 21.848 26.980 3.667 1.00 0.19 C ATOM 893 O VAL A 55 20.814 27.413 3.200 1.00 0.22 O ATOM 894 CB VAL A 55 22.881 27.328 5.925 1.00 0.19 C ATOM 895 CG1 VAL A 55 22.305 28.736 6.091 1.00 0.29 C ATOM 896 CG2 VAL A 55 23.081 26.693 7.304 1.00 0.13 C ATOM 0 H VAL A 55 23.232 24.893 5.690 1.00 0.15 H new ATOM 0 HA VAL A 55 20.919 26.505 5.547 1.00 0.16 H new ATOM 0 HB VAL A 55 23.837 27.393 5.406 1.00 0.19 H new ATOM 0 HG11 VAL A 55 22.996 29.346 6.673 1.00 0.29 H new ATOM 0 HG12 VAL A 55 22.160 29.188 5.110 1.00 0.29 H new ATOM 0 HG13 VAL A 55 21.348 28.679 6.609 1.00 0.29 H new ATOM 0 HG21 VAL A 55 23.767 27.304 7.890 1.00 0.13 H new ATOM 0 HG22 VAL A 55 22.122 26.630 7.818 1.00 0.13 H new ATOM 0 HG23 VAL A 55 23.497 25.692 7.187 1.00 0.13 H new ATOM 906 N ASN A 56 22.946 26.946 2.966 1.00 0.22 N ATOM 907 CA ASN A 56 22.953 27.446 1.560 1.00 0.27 C ATOM 908 C ASN A 56 21.913 26.691 0.728 1.00 0.26 C ATOM 909 O ASN A 56 21.230 27.266 -0.096 1.00 0.33 O ATOM 910 CB ASN A 56 24.340 27.233 0.950 1.00 0.35 C ATOM 911 CG ASN A 56 24.340 27.725 -0.499 1.00 0.71 C ATOM 912 OD1 ASN A 56 23.401 28.359 -0.937 1.00 1.56 O ATOM 913 ND2 ASN A 56 25.361 27.457 -1.267 1.00 0.90 N ATOM 0 H ASN A 56 23.841 26.593 3.305 1.00 0.22 H new ATOM 0 HA ASN A 56 22.709 28.508 1.560 1.00 0.27 H new ATOM 0 HB2 ASN A 56 25.090 27.772 1.528 1.00 0.35 H new ATOM 0 HB3 ASN A 56 24.607 26.177 0.987 1.00 0.35 H new ATOM 0 HD21 ASN A 56 25.370 27.780 -2.234 1.00 0.90 H new ATOM 0 HD22 ASN A 56 26.150 26.925 -0.900 1.00 0.90 H new ATOM 920 N GLU A 57 21.788 25.408 0.930 1.00 0.24 N ATOM 921 CA GLU A 57 20.793 24.626 0.142 1.00 0.26 C ATOM 922 C GLU A 57 19.381 24.964 0.619 1.00 0.25 C ATOM 923 O GLU A 57 18.532 25.364 -0.153 1.00 0.32 O ATOM 924 CB GLU A 57 21.053 23.128 0.333 1.00 0.29 C ATOM 925 CG GLU A 57 20.088 22.314 -0.541 1.00 0.50 C ATOM 926 CD GLU A 57 18.722 22.214 0.145 1.00 1.58 C ATOM 927 OE1 GLU A 57 18.688 21.821 1.300 1.00 2.31 O ATOM 928 OE2 GLU A 57 17.734 22.532 -0.496 1.00 2.37 O ATOM 0 H GLU A 57 22.330 24.868 1.605 1.00 0.24 H new ATOM 0 HA GLU A 57 20.888 24.880 -0.914 1.00 0.26 H new ATOM 0 HB2 GLU A 57 22.084 22.892 0.068 1.00 0.29 H new ATOM 0 HB3 GLU A 57 20.923 22.858 1.381 1.00 0.29 H new ATOM 0 HG2 GLU A 57 19.981 22.787 -1.517 1.00 0.50 H new ATOM 0 HG3 GLU A 57 20.492 21.316 -0.713 1.00 0.50 H new ATOM 1388 N VAL B 8 12.374 21.802 11.323 1.00 0.33 N ATOM 1389 CA VAL B 8 12.407 22.130 12.775 1.00 0.39 C ATOM 1390 C VAL B 8 13.861 22.304 13.214 1.00 0.36 C ATOM 1391 O VAL B 8 14.191 23.189 13.976 1.00 0.48 O ATOM 1392 CB VAL B 8 11.769 20.989 13.569 1.00 0.50 C ATOM 1393 CG1 VAL B 8 11.578 21.422 15.023 1.00 0.98 C ATOM 1394 CG2 VAL B 8 10.410 20.641 12.959 1.00 1.19 C ATOM 0 HA VAL B 8 11.854 23.051 12.958 1.00 0.39 H new ATOM 0 HB VAL B 8 12.419 20.115 13.533 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.123 20.608 15.588 1.00 0.98 H new ATOM 0 HG12 VAL B 8 12.546 21.670 15.459 1.00 0.98 H new ATOM 0 HG13 VAL B 8 10.929 22.297 15.060 1.00 0.98 H new ATOM 0 HG21 VAL B 8 9.955 19.828 13.524 1.00 1.19 H new ATOM 0 HG22 VAL B 8 9.761 21.516 12.995 1.00 1.19 H new ATOM 0 HG23 VAL B 8 10.545 20.331 11.923 1.00 1.19 H new ATOM 1404 N PHE B 9 14.733 21.465 12.730 1.00 0.28 N ATOM 1405 CA PHE B 9 16.169 21.576 13.107 1.00 0.27 C ATOM 1406 C PHE B 9 16.631 23.020 12.912 1.00 0.25 C ATOM 1407 O PHE B 9 17.242 23.609 13.781 1.00 0.32 O ATOM 1408 CB PHE B 9 16.992 20.641 12.215 1.00 0.26 C ATOM 1409 CG PHE B 9 18.344 20.396 12.839 1.00 0.21 C ATOM 1410 CD1 PHE B 9 19.374 21.327 12.663 1.00 0.23 C ATOM 1411 CD2 PHE B 9 18.568 19.238 13.593 1.00 0.18 C ATOM 1412 CE1 PHE B 9 20.627 21.100 13.241 1.00 0.23 C ATOM 1413 CE2 PHE B 9 19.821 19.011 14.172 1.00 0.18 C ATOM 1414 CZ PHE B 9 20.851 19.943 13.995 1.00 0.20 C ATOM 0 H PHE B 9 14.512 20.704 12.087 1.00 0.28 H new ATOM 0 HA PHE B 9 16.305 21.294 14.151 1.00 0.27 H new ATOM 0 HB2 PHE B 9 16.466 19.695 12.081 1.00 0.26 H new ATOM 0 HB3 PHE B 9 17.113 21.081 11.225 1.00 0.26 H new ATOM 0 HD1 PHE B 9 19.201 22.220 12.081 1.00 0.23 H new ATOM 0 HD2 PHE B 9 17.773 18.520 13.728 1.00 0.18 H new ATOM 0 HE1 PHE B 9 21.422 21.818 13.105 1.00 0.23 H new ATOM 0 HE2 PHE B 9 19.994 18.118 14.755 1.00 0.18 H new ATOM 0 HZ PHE B 9 21.819 19.769 14.441 1.00 0.20 H new ATOM 1424 N LEU B 10 16.339 23.600 11.780 1.00 0.23 N ATOM 1425 CA LEU B 10 16.760 25.007 11.543 1.00 0.23 C ATOM 1426 C LEU B 10 16.071 25.912 12.564 1.00 0.24 C ATOM 1427 O LEU B 10 16.637 26.881 13.031 1.00 0.28 O ATOM 1428 CB LEU B 10 16.367 25.436 10.128 1.00 0.25 C ATOM 1429 CG LEU B 10 16.821 24.381 9.113 1.00 0.24 C ATOM 1430 CD1 LEU B 10 16.637 24.935 7.701 1.00 0.30 C ATOM 1431 CD2 LEU B 10 18.302 24.043 9.334 1.00 0.23 C ATOM 0 H LEU B 10 15.829 23.162 11.013 1.00 0.23 H new ATOM 0 HA LEU B 10 17.842 25.087 11.650 1.00 0.23 H new ATOM 0 HB2 LEU B 10 15.287 25.570 10.067 1.00 0.25 H new ATOM 0 HB3 LEU B 10 16.821 26.398 9.892 1.00 0.25 H new ATOM 0 HG LEU B 10 16.225 23.478 9.241 1.00 0.24 H new ATOM 0 HD11 LEU B 10 16.958 24.190 6.973 1.00 0.30 H new ATOM 0 HD12 LEU B 10 15.586 25.173 7.538 1.00 0.30 H new ATOM 0 HD13 LEU B 10 17.236 25.838 7.584 1.00 0.30 H new ATOM 0 HD21 LEU B 10 18.616 23.293 8.609 1.00 0.23 H new ATOM 0 HD22 LEU B 10 18.903 24.943 9.208 1.00 0.23 H new ATOM 0 HD23 LEU B 10 18.440 23.653 10.342 1.00 0.23 H new ATOM 1443 N ASP B 11 14.856 25.600 12.921 1.00 0.23 N ATOM 1444 CA ASP B 11 14.140 26.440 13.921 1.00 0.25 C ATOM 1445 C ASP B 11 15.016 26.572 15.167 1.00 0.22 C ATOM 1446 O ASP B 11 15.390 27.658 15.564 1.00 0.30 O ATOM 1447 CB ASP B 11 12.807 25.781 14.293 1.00 0.30 C ATOM 1448 CG ASP B 11 11.907 26.803 14.990 1.00 0.97 C ATOM 1449 OD1 ASP B 11 11.347 27.639 14.300 1.00 1.67 O ATOM 1450 OD2 ASP B 11 11.793 26.734 16.203 1.00 1.67 O ATOM 0 H ASP B 11 14.329 24.802 12.565 1.00 0.23 H new ATOM 0 HA ASP B 11 13.940 27.426 13.501 1.00 0.25 H new ATOM 0 HB2 ASP B 11 12.316 25.399 13.398 1.00 0.30 H new ATOM 0 HB3 ASP B 11 12.982 24.928 14.949 1.00 0.30 H new ATOM 1455 N TYR B 12 15.359 25.471 15.780 1.00 0.17 N ATOM 1456 CA TYR B 12 16.224 25.532 16.991 1.00 0.15 C ATOM 1457 C TYR B 12 17.452 26.385 16.676 1.00 0.16 C ATOM 1458 O TYR B 12 17.745 27.354 17.348 1.00 0.23 O ATOM 1459 CB TYR B 12 16.676 24.115 17.369 1.00 0.14 C ATOM 1460 CG TYR B 12 15.489 23.309 17.864 1.00 0.17 C ATOM 1461 CD1 TYR B 12 14.790 23.715 19.008 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.089 22.153 17.179 1.00 0.20 C ATOM 1463 CE1 TYR B 12 13.697 22.969 19.465 1.00 0.27 C ATOM 1464 CE2 TYR B 12 13.996 21.408 17.637 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.300 21.816 18.779 1.00 0.27 C ATOM 1466 OH TYR B 12 12.222 21.081 19.231 1.00 0.32 O ATOM 0 H TYR B 12 15.077 24.533 15.494 1.00 0.17 H new ATOM 0 HA TYR B 12 15.668 25.968 17.821 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.125 23.625 16.505 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.442 24.163 18.143 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.095 24.605 19.538 1.00 0.23 H new ATOM 0 HD2 TYR B 12 15.625 21.837 16.296 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.160 23.284 20.348 1.00 0.27 H new ATOM 0 HE2 TYR B 12 13.690 20.518 17.108 1.00 0.24 H new ATOM 0 HH TYR B 12 12.079 20.312 18.640 1.00 0.32 H new ATOM 1476 N CYS B 13 18.162 26.024 15.650 1.00 0.19 N ATOM 1477 CA CYS B 13 19.375 26.793 15.255 1.00 0.24 C ATOM 1478 C CYS B 13 19.062 28.288 15.248 1.00 0.26 C ATOM 1479 O CYS B 13 19.825 29.095 15.741 1.00 0.33 O ATOM 1480 CB CYS B 13 19.802 26.357 13.853 1.00 0.30 C ATOM 1481 SG CYS B 13 21.096 27.457 13.239 1.00 1.27 S ATOM 0 H CYS B 13 17.953 25.219 15.059 1.00 0.19 H new ATOM 0 HA CYS B 13 20.178 26.601 15.967 1.00 0.24 H new ATOM 0 HB2 CYS B 13 20.166 25.330 13.877 1.00 0.30 H new ATOM 0 HB3 CYS B 13 18.945 26.376 13.179 1.00 0.30 H new ATOM 0 HG CYS B 13 20.560 28.399 12.520 1.00 1.27 H new ATOM 1487 N GLN B 14 17.947 28.666 14.690 1.00 0.24 N ATOM 1488 CA GLN B 14 17.590 30.109 14.651 1.00 0.27 C ATOM 1489 C GLN B 14 17.717 30.700 16.055 1.00 0.24 C ATOM 1490 O GLN B 14 18.285 31.756 16.242 1.00 0.29 O ATOM 1491 CB GLN B 14 16.152 30.271 14.155 1.00 0.32 C ATOM 1492 CG GLN B 14 15.876 31.748 13.871 1.00 0.62 C ATOM 1493 CD GLN B 14 14.464 31.906 13.304 1.00 0.88 C ATOM 1494 OE1 GLN B 14 13.759 30.934 13.121 1.00 1.69 O ATOM 1495 NE2 GLN B 14 14.019 33.098 13.015 1.00 1.44 N ATOM 0 H GLN B 14 17.268 28.038 14.260 1.00 0.24 H new ATOM 0 HA GLN B 14 18.264 30.631 13.973 1.00 0.27 H new ATOM 0 HB2 GLN B 14 15.999 29.681 13.252 1.00 0.32 H new ATOM 0 HB3 GLN B 14 15.453 29.896 14.903 1.00 0.32 H new ATOM 0 HG2 GLN B 14 15.978 32.330 14.787 1.00 0.62 H new ATOM 0 HG3 GLN B 14 16.609 32.136 13.163 1.00 0.62 H new ATOM 0 HE21 GLN B 14 14.611 33.914 13.169 1.00 1.44 H new ATOM 0 HE22 GLN B 14 13.079 33.213 12.636 1.00 1.44 H new ATOM 1504 N LYS B 15 17.196 30.027 17.045 1.00 0.23 N ATOM 1505 CA LYS B 15 17.290 30.555 18.436 1.00 0.23 C ATOM 1506 C LYS B 15 18.762 30.652 18.849 1.00 0.20 C ATOM 1507 O LYS B 15 19.249 31.710 19.196 1.00 0.23 O ATOM 1508 CB LYS B 15 16.550 29.617 19.391 1.00 0.24 C ATOM 1509 CG LYS B 15 15.082 29.518 18.966 1.00 0.55 C ATOM 1510 CD LYS B 15 14.410 28.336 19.675 1.00 1.19 C ATOM 1511 CE LYS B 15 14.284 28.621 21.176 1.00 1.47 C ATOM 1512 NZ LYS B 15 15.590 28.361 21.845 1.00 2.21 N ATOM 0 H LYS B 15 16.710 29.135 16.951 1.00 0.23 H new ATOM 0 HA LYS B 15 16.837 31.545 18.479 1.00 0.23 H new ATOM 0 HB2 LYS B 15 17.011 28.630 19.379 1.00 0.24 H new ATOM 0 HB3 LYS B 15 16.620 29.990 20.413 1.00 0.24 H new ATOM 0 HG2 LYS B 15 14.561 30.444 19.210 1.00 0.55 H new ATOM 0 HG3 LYS B 15 15.015 29.390 17.886 1.00 0.55 H new ATOM 0 HD2 LYS B 15 13.423 28.159 19.247 1.00 1.19 H new ATOM 0 HD3 LYS B 15 14.993 27.429 19.517 1.00 1.19 H new ATOM 0 HE2 LYS B 15 13.982 29.656 21.336 1.00 1.47 H new ATOM 0 HE3 LYS B 15 13.509 27.991 21.612 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 15.829 29.163 22.463 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 15.522 27.493 22.414 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 16.332 28.245 21.125 1.00 2.21 H new ATOM 1526 N LEU B 16 19.475 29.556 18.813 1.00 0.18 N ATOM 1527 CA LEU B 16 20.917 29.580 19.201 1.00 0.17 C ATOM 1528 C LEU B 16 21.604 30.777 18.533 1.00 0.18 C ATOM 1529 O LEU B 16 22.645 31.231 18.965 1.00 0.23 O ATOM 1530 CB LEU B 16 21.581 28.259 18.742 1.00 0.15 C ATOM 1531 CG LEU B 16 22.530 27.726 19.832 1.00 0.15 C ATOM 1532 CD1 LEU B 16 21.716 27.063 20.959 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.500 26.712 19.211 1.00 0.18 C ATOM 0 H LEU B 16 19.119 28.643 18.531 1.00 0.18 H new ATOM 0 HA LEU B 16 21.014 29.677 20.282 1.00 0.17 H new ATOM 0 HB2 LEU B 16 20.814 27.516 18.524 1.00 0.15 H new ATOM 0 HB3 LEU B 16 22.135 28.425 17.818 1.00 0.15 H new ATOM 0 HG LEU B 16 23.099 28.554 20.255 1.00 0.15 H new ATOM 0 HD11 LEU B 16 22.394 26.689 21.726 1.00 0.25 H new ATOM 0 HD12 LEU B 16 21.040 27.796 21.399 1.00 0.25 H new ATOM 0 HD13 LEU B 16 21.137 26.235 20.551 1.00 0.25 H new ATOM 0 HD21 LEU B 16 24.173 26.333 19.981 1.00 0.18 H new ATOM 0 HD22 LEU B 16 22.936 25.884 18.783 1.00 0.18 H new ATOM 0 HD23 LEU B 16 24.082 27.198 18.428 1.00 0.18 H new ATOM 1545 N LEU B 17 21.033 31.277 17.475 1.00 0.17 N ATOM 1546 CA LEU B 17 21.650 32.427 16.764 1.00 0.19 C ATOM 1547 C LEU B 17 21.295 33.740 17.468 1.00 0.22 C ATOM 1548 O LEU B 17 22.161 34.474 17.901 1.00 0.30 O ATOM 1549 CB LEU B 17 21.122 32.451 15.325 1.00 0.19 C ATOM 1550 CG LEU B 17 22.063 33.280 14.425 1.00 0.22 C ATOM 1551 CD1 LEU B 17 23.235 32.408 13.944 1.00 0.14 C ATOM 1552 CD2 LEU B 17 21.298 33.806 13.200 1.00 0.33 C ATOM 0 H LEU B 17 20.161 30.936 17.071 1.00 0.17 H new ATOM 0 HA LEU B 17 22.735 32.319 16.765 1.00 0.19 H new ATOM 0 HB2 LEU B 17 21.044 31.434 14.942 1.00 0.19 H new ATOM 0 HB3 LEU B 17 20.119 32.877 15.305 1.00 0.19 H new ATOM 0 HG LEU B 17 22.444 34.120 15.006 1.00 0.22 H new ATOM 0 HD11 LEU B 17 23.894 33.001 13.310 1.00 0.14 H new ATOM 0 HD12 LEU B 17 23.794 32.042 14.805 1.00 0.14 H new ATOM 0 HD13 LEU B 17 22.849 31.562 13.376 1.00 0.14 H new ATOM 0 HD21 LEU B 17 21.972 34.389 12.573 1.00 0.33 H new ATOM 0 HD22 LEU B 17 20.906 32.965 12.627 1.00 0.33 H new ATOM 0 HD23 LEU B 17 20.473 34.437 13.530 1.00 0.33 H new ATOM 1564 N GLU B 18 20.033 34.049 17.579 1.00 0.20 N ATOM 1565 CA GLU B 18 19.639 35.320 18.246 1.00 0.24 C ATOM 1566 C GLU B 18 20.081 35.285 19.710 1.00 0.22 C ATOM 1567 O GLU B 18 20.550 36.268 20.249 1.00 0.26 O ATOM 1568 CB GLU B 18 18.119 35.499 18.163 1.00 0.30 C ATOM 1569 CG GLU B 18 17.421 34.157 18.394 1.00 1.05 C ATOM 1570 CD GLU B 18 15.944 34.395 18.718 1.00 1.67 C ATOM 1571 OE1 GLU B 18 15.671 34.979 19.754 1.00 2.17 O ATOM 1572 OE2 GLU B 18 15.110 33.989 17.924 1.00 2.29 O ATOM 0 H GLU B 18 19.260 33.478 17.238 1.00 0.20 H new ATOM 0 HA GLU B 18 20.122 36.158 17.744 1.00 0.24 H new ATOM 0 HB2 GLU B 18 17.789 36.223 18.908 1.00 0.30 H new ATOM 0 HB3 GLU B 18 17.844 35.898 17.187 1.00 0.30 H new ATOM 0 HG2 GLU B 18 17.513 33.531 17.507 1.00 1.05 H new ATOM 0 HG3 GLU B 18 17.902 33.622 19.213 1.00 1.05 H new ATOM 1579 N LYS B 19 19.939 34.163 20.357 1.00 0.19 N ATOM 1580 CA LYS B 19 20.359 34.077 21.782 1.00 0.20 C ATOM 1581 C LYS B 19 21.804 34.560 21.904 1.00 0.19 C ATOM 1582 O LYS B 19 22.116 35.421 22.703 1.00 0.26 O ATOM 1583 CB LYS B 19 20.242 32.627 22.264 1.00 0.21 C ATOM 1584 CG LYS B 19 20.173 32.603 23.791 1.00 0.29 C ATOM 1585 CD LYS B 19 20.019 31.161 24.278 1.00 0.33 C ATOM 1586 CE LYS B 19 18.677 30.571 23.812 1.00 0.95 C ATOM 1587 NZ LYS B 19 18.855 29.923 22.481 1.00 1.68 N ATOM 0 H LYS B 19 19.552 33.305 19.963 1.00 0.19 H new ATOM 0 HA LYS B 19 19.716 34.704 22.399 1.00 0.20 H new ATOM 0 HB2 LYS B 19 19.351 32.163 21.841 1.00 0.21 H new ATOM 0 HB3 LYS B 19 21.098 32.047 21.919 1.00 0.21 H new ATOM 0 HG2 LYS B 19 21.076 33.045 24.212 1.00 0.29 H new ATOM 0 HG3 LYS B 19 19.333 33.205 24.136 1.00 0.29 H new ATOM 0 HD2 LYS B 19 20.841 30.554 23.898 1.00 0.33 H new ATOM 0 HD3 LYS B 19 20.077 31.131 25.366 1.00 0.33 H new ATOM 0 HE2 LYS B 19 18.316 29.842 24.538 1.00 0.95 H new ATOM 0 HE3 LYS B 19 17.924 31.357 23.748 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 18.455 30.534 21.741 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 19.868 29.777 22.299 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 18.366 29.005 22.474 1.00 1.68 H new ATOM 1601 N PHE B 20 22.685 34.029 21.103 1.00 0.15 N ATOM 1602 CA PHE B 20 24.102 34.471 21.152 1.00 0.15 C ATOM 1603 C PHE B 20 24.235 35.726 20.286 1.00 0.16 C ATOM 1604 O PHE B 20 25.312 36.252 20.085 1.00 0.25 O ATOM 1605 CB PHE B 20 24.989 33.355 20.601 1.00 0.14 C ATOM 1606 CG PHE B 20 25.157 32.273 21.647 1.00 0.13 C ATOM 1607 CD1 PHE B 20 24.130 31.341 21.839 1.00 0.14 C ATOM 1608 CD2 PHE B 20 26.326 32.197 22.425 1.00 0.14 C ATOM 1609 CE1 PHE B 20 24.265 30.335 22.801 1.00 0.14 C ATOM 1610 CE2 PHE B 20 26.457 31.188 23.388 1.00 0.15 C ATOM 1611 CZ PHE B 20 25.427 30.259 23.575 1.00 0.14 C ATOM 0 H PHE B 20 22.481 33.305 20.414 1.00 0.15 H new ATOM 0 HA PHE B 20 24.408 34.693 22.175 1.00 0.15 H new ATOM 0 HB2 PHE B 20 24.544 32.936 19.699 1.00 0.14 H new ATOM 0 HB3 PHE B 20 25.963 33.757 20.320 1.00 0.14 H new ATOM 0 HD1 PHE B 20 23.231 31.399 21.243 1.00 0.14 H new ATOM 0 HD2 PHE B 20 27.120 32.914 22.281 1.00 0.14 H new ATOM 0 HE1 PHE B 20 23.472 29.617 22.946 1.00 0.14 H new ATOM 0 HE2 PHE B 20 27.354 31.127 23.987 1.00 0.15 H new ATOM 0 HZ PHE B 20 25.530 29.482 24.318 1.00 0.14 H new ATOM 1621 N ARG B 21 23.127 36.210 19.787 1.00 0.15 N ATOM 1622 CA ARG B 21 23.135 37.442 18.941 1.00 0.17 C ATOM 1623 C ARG B 21 24.115 37.311 17.765 1.00 0.14 C ATOM 1624 O ARG B 21 24.795 38.257 17.419 1.00 0.18 O ATOM 1625 CB ARG B 21 23.536 38.646 19.798 1.00 0.23 C ATOM 1626 CG ARG B 21 22.434 38.948 20.826 1.00 0.58 C ATOM 1627 CD ARG B 21 21.156 39.443 20.123 1.00 1.16 C ATOM 1628 NE ARG B 21 20.422 40.368 21.032 1.00 1.87 N ATOM 1629 CZ ARG B 21 19.482 41.138 20.556 1.00 2.62 C ATOM 1630 NH1 ARG B 21 19.187 41.096 19.286 1.00 2.94 N ATOM 1631 NH2 ARG B 21 18.839 41.950 21.350 1.00 3.56 N ATOM 0 H ARG B 21 22.205 35.799 19.932 1.00 0.15 H new ATOM 0 HA ARG B 21 22.132 37.580 18.537 1.00 0.17 H new ATOM 0 HB2 ARG B 21 24.476 38.442 20.310 1.00 0.23 H new ATOM 0 HB3 ARG B 21 23.701 39.516 19.163 1.00 0.23 H new ATOM 0 HG2 ARG B 21 22.213 38.051 21.404 1.00 0.58 H new ATOM 0 HG3 ARG B 21 22.783 39.703 21.530 1.00 0.58 H new ATOM 0 HD2 ARG B 21 21.412 39.954 19.195 1.00 1.16 H new ATOM 0 HD3 ARG B 21 20.522 38.597 19.857 1.00 1.16 H new ATOM 0 HE ARG B 21 20.654 40.399 22.025 1.00 1.87 H new ATOM 0 HH11 ARG B 21 19.691 40.462 18.666 1.00 2.94 H new ATOM 0 HH12 ARG B 21 18.452 41.697 18.913 1.00 2.94 H new ATOM 0 HH21 ARG B 21 19.071 41.983 22.343 1.00 3.56 H new ATOM 0 HH22 ARG B 21 18.104 42.552 20.978 1.00 3.56 H new ATOM 1645 N TYR B 22 24.193 36.166 17.130 1.00 0.14 N ATOM 1646 CA TYR B 22 25.127 36.026 15.967 1.00 0.13 C ATOM 1647 C TYR B 22 24.385 36.455 14.675 1.00 0.15 C ATOM 1648 O TYR B 22 23.179 36.324 14.609 1.00 0.16 O ATOM 1649 CB TYR B 22 25.557 34.554 15.826 1.00 0.12 C ATOM 1650 CG TYR B 22 26.719 34.228 16.756 1.00 0.13 C ATOM 1651 CD1 TYR B 22 27.930 34.941 16.677 1.00 0.14 C ATOM 1652 CD2 TYR B 22 26.585 33.198 17.697 1.00 0.14 C ATOM 1653 CE1 TYR B 22 28.989 34.622 17.536 1.00 0.17 C ATOM 1654 CE2 TYR B 22 27.646 32.881 18.553 1.00 0.17 C ATOM 1655 CZ TYR B 22 28.847 33.593 18.473 1.00 0.18 C ATOM 1656 OH TYR B 22 29.893 33.281 19.317 1.00 0.21 O ATOM 0 H TYR B 22 23.657 35.330 17.363 1.00 0.14 H new ATOM 0 HA TYR B 22 26.006 36.651 16.126 1.00 0.13 H new ATOM 0 HB2 TYR B 22 24.713 33.903 16.052 1.00 0.12 H new ATOM 0 HB3 TYR B 22 25.846 34.354 14.794 1.00 0.12 H new ATOM 0 HD1 TYR B 22 28.043 35.735 15.953 1.00 0.14 H new ATOM 0 HD2 TYR B 22 25.659 32.646 17.762 1.00 0.14 H new ATOM 0 HE1 TYR B 22 29.917 35.171 17.475 1.00 0.17 H new ATOM 0 HE2 TYR B 22 27.537 32.086 19.276 1.00 0.17 H new ATOM 0 HH TYR B 22 30.653 33.870 19.128 1.00 0.21 H new ATOM 1666 N PRO B 23 25.107 36.934 13.670 1.00 0.16 N ATOM 1667 CA PRO B 23 24.477 37.341 12.393 1.00 0.18 C ATOM 1668 C PRO B 23 23.915 36.104 11.665 1.00 0.19 C ATOM 1669 O PRO B 23 24.074 34.986 12.107 1.00 0.19 O ATOM 1670 CB PRO B 23 25.614 37.995 11.579 1.00 0.19 C ATOM 1671 CG PRO B 23 26.943 37.673 12.315 1.00 0.17 C ATOM 1672 CD PRO B 23 26.575 37.123 13.711 1.00 0.15 C ATOM 0 HA PRO B 23 23.641 38.026 12.537 1.00 0.18 H new ATOM 0 HB2 PRO B 23 25.633 37.606 10.561 1.00 0.19 H new ATOM 0 HB3 PRO B 23 25.465 39.072 11.505 1.00 0.19 H new ATOM 0 HG2 PRO B 23 27.525 36.941 11.755 1.00 0.17 H new ATOM 0 HG3 PRO B 23 27.559 38.568 12.405 1.00 0.17 H new ATOM 0 HD2 PRO B 23 27.089 36.183 13.914 1.00 0.15 H new ATOM 0 HD3 PRO B 23 26.862 37.820 14.499 1.00 0.15 H new ATOM 1680 N TRP B 24 23.254 36.311 10.556 1.00 0.22 N ATOM 1681 CA TRP B 24 22.658 35.169 9.789 1.00 0.24 C ATOM 1682 C TRP B 24 23.734 34.400 9.009 1.00 0.25 C ATOM 1683 O TRP B 24 23.490 33.315 8.520 1.00 0.34 O ATOM 1684 CB TRP B 24 21.617 35.718 8.807 1.00 0.28 C ATOM 1685 CG TRP B 24 21.077 34.606 7.961 1.00 0.53 C ATOM 1686 CD1 TRP B 24 21.483 34.323 6.701 1.00 1.45 C ATOM 1687 CD2 TRP B 24 20.044 33.630 8.287 1.00 0.35 C ATOM 1688 NE1 TRP B 24 20.765 33.236 6.234 1.00 1.68 N ATOM 1689 CE2 TRP B 24 19.866 32.774 7.174 1.00 0.93 C ATOM 1690 CE3 TRP B 24 19.252 33.407 9.428 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 18.936 31.734 7.192 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 18.315 32.361 9.450 1.00 1.15 C ATOM 1693 CH2 TRP B 24 18.157 31.526 8.334 1.00 0.63 C ATOM 0 H TRP B 24 23.098 37.230 10.142 1.00 0.22 H new ATOM 0 HA TRP B 24 22.193 34.482 10.496 1.00 0.24 H new ATOM 0 HB2 TRP B 24 20.805 36.197 9.354 1.00 0.28 H new ATOM 0 HB3 TRP B 24 22.069 36.482 8.174 1.00 0.28 H new ATOM 0 HD1 TRP B 24 22.243 34.858 6.150 1.00 1.45 H new ATOM 0 HE1 TRP B 24 20.885 32.826 5.308 1.00 1.68 H new ATOM 0 HE3 TRP B 24 19.365 34.044 10.293 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 18.819 31.094 6.330 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 17.712 32.199 10.331 1.00 1.15 H new ATOM 0 HH2 TRP B 24 17.435 30.724 8.357 1.00 0.63 H new ATOM 1704 N GLU B 25 24.905 34.948 8.863 1.00 0.21 N ATOM 1705 CA GLU B 25 25.962 34.236 8.086 1.00 0.24 C ATOM 1706 C GLU B 25 26.553 33.067 8.895 1.00 0.21 C ATOM 1707 O GLU B 25 27.255 32.235 8.356 1.00 0.24 O ATOM 1708 CB GLU B 25 27.064 35.231 7.694 1.00 0.31 C ATOM 1709 CG GLU B 25 27.663 35.895 8.951 1.00 1.20 C ATOM 1710 CD GLU B 25 28.059 37.346 8.648 1.00 1.43 C ATOM 1711 OE1 GLU B 25 28.887 37.544 7.775 1.00 1.86 O ATOM 1712 OE2 GLU B 25 27.524 38.232 9.296 1.00 1.99 O ATOM 0 H GLU B 25 25.179 35.854 9.245 1.00 0.21 H new ATOM 0 HA GLU B 25 25.513 33.819 7.184 1.00 0.24 H new ATOM 0 HB2 GLU B 25 27.848 34.715 7.139 1.00 0.31 H new ATOM 0 HB3 GLU B 25 26.655 35.994 7.032 1.00 0.31 H new ATOM 0 HG2 GLU B 25 26.938 35.871 9.764 1.00 1.20 H new ATOM 0 HG3 GLU B 25 28.536 35.335 9.286 1.00 1.20 H new ATOM 1719 N LEU B 26 26.283 32.992 10.180 1.00 0.16 N ATOM 1720 CA LEU B 26 26.843 31.869 11.012 1.00 0.15 C ATOM 1721 C LEU B 26 25.785 30.796 11.266 1.00 0.15 C ATOM 1722 O LEU B 26 25.824 30.110 12.268 1.00 0.19 O ATOM 1723 CB LEU B 26 27.321 32.413 12.356 1.00 0.13 C ATOM 1724 CG LEU B 26 28.197 33.643 12.134 1.00 0.13 C ATOM 1725 CD1 LEU B 26 28.809 34.070 13.468 1.00 0.14 C ATOM 1726 CD2 LEU B 26 29.319 33.311 11.142 1.00 0.14 C ATOM 0 H LEU B 26 25.701 33.657 10.689 1.00 0.16 H new ATOM 0 HA LEU B 26 27.675 31.426 10.465 1.00 0.15 H new ATOM 0 HB2 LEU B 26 26.465 32.673 12.979 1.00 0.13 H new ATOM 0 HB3 LEU B 26 27.883 31.647 12.890 1.00 0.13 H new ATOM 0 HG LEU B 26 27.589 34.452 11.729 1.00 0.13 H new ATOM 0 HD11 LEU B 26 29.436 34.948 13.316 1.00 0.14 H new ATOM 0 HD12 LEU B 26 28.013 34.310 14.173 1.00 0.14 H new ATOM 0 HD13 LEU B 26 29.415 33.257 13.867 1.00 0.14 H new ATOM 0 HD21 LEU B 26 29.941 34.193 10.988 1.00 0.14 H new ATOM 0 HD22 LEU B 26 29.930 32.501 11.541 1.00 0.14 H new ATOM 0 HD23 LEU B 26 28.884 33.002 10.191 1.00 0.14 H new ATOM 1738 N MET B 27 24.851 30.624 10.377 1.00 0.15 N ATOM 1739 CA MET B 27 23.827 29.575 10.601 1.00 0.17 C ATOM 1740 C MET B 27 24.463 28.161 10.488 1.00 0.14 C ATOM 1741 O MET B 27 24.099 27.290 11.252 1.00 0.19 O ATOM 1742 CB MET B 27 22.666 29.745 9.595 1.00 0.20 C ATOM 1743 CG MET B 27 21.613 30.704 10.164 1.00 0.39 C ATOM 1744 SD MET B 27 20.668 29.868 11.460 1.00 1.31 S ATOM 1745 CE MET B 27 19.457 29.061 10.384 1.00 0.45 C ATOM 0 H MET B 27 24.753 31.159 9.514 1.00 0.15 H new ATOM 0 HA MET B 27 23.425 29.681 11.609 1.00 0.17 H new ATOM 0 HB2 MET B 27 23.047 30.130 8.649 1.00 0.20 H new ATOM 0 HB3 MET B 27 22.212 28.777 9.385 1.00 0.20 H new ATOM 0 HG2 MET B 27 22.097 31.593 10.569 1.00 0.39 H new ATOM 0 HG3 MET B 27 20.944 31.038 9.371 1.00 0.39 H new ATOM 0 HE1 MET B 27 18.497 29.570 10.470 1.00 0.45 H new ATOM 0 HE2 MET B 27 19.801 29.107 9.351 1.00 0.45 H new ATOM 0 HE3 MET B 27 19.343 28.019 10.682 1.00 0.45 H new ATOM 1755 N PRO B 28 25.389 27.947 9.557 1.00 0.09 N ATOM 1756 CA PRO B 28 26.031 26.618 9.404 1.00 0.09 C ATOM 1757 C PRO B 28 26.749 26.189 10.697 1.00 0.09 C ATOM 1758 O PRO B 28 26.856 25.016 10.988 1.00 0.14 O ATOM 1759 CB PRO B 28 27.026 26.796 8.234 1.00 0.10 C ATOM 1760 CG PRO B 28 26.684 28.149 7.562 1.00 0.12 C ATOM 1761 CD PRO B 28 25.868 28.958 8.585 1.00 0.12 C ATOM 0 HA PRO B 28 25.303 25.831 9.204 1.00 0.09 H new ATOM 0 HB2 PRO B 28 28.054 26.793 8.596 1.00 0.10 H new ATOM 0 HB3 PRO B 28 26.936 25.976 7.521 1.00 0.10 H new ATOM 0 HG2 PRO B 28 27.592 28.683 7.283 1.00 0.12 H new ATOM 0 HG3 PRO B 28 26.112 27.993 6.647 1.00 0.12 H new ATOM 0 HD2 PRO B 28 26.481 29.717 9.071 1.00 0.12 H new ATOM 0 HD3 PRO B 28 25.036 29.477 8.109 1.00 0.12 H new ATOM 1769 N LEU B 29 27.244 27.113 11.475 1.00 0.10 N ATOM 1770 CA LEU B 29 27.938 26.710 12.734 1.00 0.09 C ATOM 1771 C LEU B 29 26.888 26.347 13.782 1.00 0.10 C ATOM 1772 O LEU B 29 26.992 25.341 14.456 1.00 0.16 O ATOM 1773 CB LEU B 29 28.816 27.855 13.243 1.00 0.08 C ATOM 1774 CG LEU B 29 29.680 28.389 12.097 1.00 0.09 C ATOM 1775 CD1 LEU B 29 30.629 29.464 12.633 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.494 27.238 11.487 1.00 0.09 C ATOM 0 H LEU B 29 27.200 28.117 11.298 1.00 0.10 H new ATOM 0 HA LEU B 29 28.577 25.848 12.540 1.00 0.09 H new ATOM 0 HB2 LEU B 29 28.193 28.654 13.644 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.450 27.506 14.058 1.00 0.08 H new ATOM 0 HG LEU B 29 29.039 28.822 11.329 1.00 0.09 H new ATOM 0 HD11 LEU B 29 31.245 29.845 11.818 1.00 0.12 H new ATOM 0 HD12 LEU B 29 30.048 30.281 13.062 1.00 0.12 H new ATOM 0 HD13 LEU B 29 31.271 29.033 13.401 1.00 0.12 H new ATOM 0 HD21 LEU B 29 31.109 27.619 10.671 1.00 0.09 H new ATOM 0 HD22 LEU B 29 31.136 26.801 12.252 1.00 0.09 H new ATOM 0 HD23 LEU B 29 29.816 26.476 11.104 1.00 0.09 H new ATOM 1788 N MET B 30 25.862 27.143 13.910 1.00 0.10 N ATOM 1789 CA MET B 30 24.796 26.821 14.895 1.00 0.12 C ATOM 1790 C MET B 30 24.154 25.495 14.482 1.00 0.10 C ATOM 1791 O MET B 30 23.535 24.810 15.272 1.00 0.13 O ATOM 1792 CB MET B 30 23.739 27.931 14.875 1.00 0.16 C ATOM 1793 CG MET B 30 24.218 29.121 15.705 1.00 0.19 C ATOM 1794 SD MET B 30 25.750 29.778 14.993 1.00 1.23 S ATOM 1795 CE MET B 30 26.656 30.026 16.541 1.00 0.22 C ATOM 0 H MET B 30 25.718 28.000 13.376 1.00 0.10 H new ATOM 0 HA MET B 30 25.212 26.742 15.899 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.549 28.245 13.849 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.797 27.555 15.273 1.00 0.16 H new ATOM 0 HG2 MET B 30 23.452 29.896 15.724 1.00 0.19 H new ATOM 0 HG3 MET B 30 24.387 28.814 16.737 1.00 0.19 H new ATOM 0 HE1 MET B 30 27.477 30.723 16.374 1.00 0.22 H new ATOM 0 HE2 MET B 30 25.982 30.432 17.296 1.00 0.22 H new ATOM 0 HE3 MET B 30 27.055 29.072 16.886 1.00 0.22 H new ATOM 1805 N TYR B 31 24.303 25.139 13.235 1.00 0.08 N ATOM 1806 CA TYR B 31 23.715 23.867 12.728 1.00 0.08 C ATOM 1807 C TYR B 31 24.547 22.680 13.223 1.00 0.08 C ATOM 1808 O TYR B 31 24.023 21.724 13.759 1.00 0.09 O ATOM 1809 CB TYR B 31 23.722 23.899 11.194 1.00 0.09 C ATOM 1810 CG TYR B 31 23.352 22.545 10.638 1.00 0.09 C ATOM 1811 CD1 TYR B 31 22.011 22.227 10.396 1.00 0.10 C ATOM 1812 CD2 TYR B 31 24.355 21.611 10.356 1.00 0.10 C ATOM 1813 CE1 TYR B 31 21.673 20.972 9.875 1.00 0.11 C ATOM 1814 CE2 TYR B 31 24.019 20.358 9.834 1.00 0.11 C ATOM 1815 CZ TYR B 31 22.677 20.037 9.593 1.00 0.11 C ATOM 1816 OH TYR B 31 22.345 18.801 9.078 1.00 0.13 O ATOM 0 H TYR B 31 24.813 25.682 12.538 1.00 0.08 H new ATOM 0 HA TYR B 31 22.693 23.759 13.093 1.00 0.08 H new ATOM 0 HB2 TYR B 31 23.018 24.651 10.836 1.00 0.09 H new ATOM 0 HB3 TYR B 31 24.709 24.190 10.834 1.00 0.09 H new ATOM 0 HD1 TYR B 31 21.237 22.949 10.611 1.00 0.10 H new ATOM 0 HD2 TYR B 31 25.390 21.858 10.542 1.00 0.10 H new ATOM 0 HE1 TYR B 31 20.638 20.725 9.691 1.00 0.11 H new ATOM 0 HE2 TYR B 31 24.794 19.638 9.617 1.00 0.11 H new ATOM 0 HH TYR B 31 23.160 18.275 8.939 1.00 0.13 H new ATOM 1826 N VAL B 32 25.837 22.728 13.039 1.00 0.08 N ATOM 1827 CA VAL B 32 26.697 21.598 13.489 1.00 0.08 C ATOM 1828 C VAL B 32 26.605 21.446 15.009 1.00 0.08 C ATOM 1829 O VAL B 32 26.366 20.370 15.520 1.00 0.10 O ATOM 1830 CB VAL B 32 28.149 21.868 13.084 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.041 20.733 13.594 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.242 21.951 11.555 1.00 0.08 C ATOM 0 H VAL B 32 26.333 23.501 12.596 1.00 0.08 H new ATOM 0 HA VAL B 32 26.354 20.676 13.018 1.00 0.08 H new ATOM 0 HB VAL B 32 28.482 22.810 13.519 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.075 20.925 13.306 1.00 0.08 H new ATOM 0 HG12 VAL B 32 28.972 20.676 14.680 1.00 0.08 H new ATOM 0 HG13 VAL B 32 28.713 19.789 13.159 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.274 22.143 11.263 1.00 0.08 H new ATOM 0 HG22 VAL B 32 27.911 21.009 11.119 1.00 0.08 H new ATOM 0 HG23 VAL B 32 27.607 22.760 11.195 1.00 0.08 H new ATOM 1842 N ILE B 33 26.799 22.510 15.736 1.00 0.08 N ATOM 1843 CA ILE B 33 26.729 22.424 17.220 1.00 0.08 C ATOM 1844 C ILE B 33 25.456 21.661 17.639 1.00 0.09 C ATOM 1845 O ILE B 33 25.527 20.696 18.373 1.00 0.10 O ATOM 1846 CB ILE B 33 26.761 23.851 17.783 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.176 24.413 17.578 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.414 23.852 19.276 1.00 0.09 C ATOM 1849 CD1 ILE B 33 28.211 25.911 17.891 1.00 0.08 C ATOM 0 H ILE B 33 27.004 23.438 15.365 1.00 0.08 H new ATOM 0 HA ILE B 33 27.578 21.871 17.622 1.00 0.08 H new ATOM 0 HB ILE B 33 26.025 24.466 17.266 1.00 0.08 H new ATOM 0 HG12 ILE B 33 28.880 23.885 18.222 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.495 24.243 16.550 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.442 24.873 19.655 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.415 23.440 19.418 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.138 23.243 19.818 1.00 0.09 H new ATOM 0 HD11 ILE B 33 29.221 26.291 17.740 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.523 26.437 17.229 1.00 0.08 H new ATOM 0 HD13 ILE B 33 27.913 26.073 18.927 1.00 0.08 H new ATOM 1861 N LEU B 34 24.301 22.055 17.162 1.00 0.08 N ATOM 1862 CA LEU B 34 23.049 21.310 17.521 1.00 0.09 C ATOM 1863 C LEU B 34 23.197 19.852 17.055 1.00 0.12 C ATOM 1864 O LEU B 34 22.815 18.929 17.746 1.00 0.16 O ATOM 1865 CB LEU B 34 21.852 21.981 16.785 1.00 0.10 C ATOM 1866 CG LEU B 34 20.925 22.855 17.704 1.00 0.10 C ATOM 1867 CD1 LEU B 34 21.628 23.373 18.973 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.426 24.058 16.892 1.00 0.11 C ATOM 0 H LEU B 34 24.169 22.855 16.543 1.00 0.08 H new ATOM 0 HA LEU B 34 22.877 21.332 18.597 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.241 22.608 15.983 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.248 21.203 16.317 1.00 0.10 H new ATOM 0 HG LEU B 34 20.106 22.215 18.033 1.00 0.10 H new ATOM 0 HD11 LEU B 34 20.928 23.968 19.559 1.00 0.10 H new ATOM 0 HD12 LEU B 34 21.973 22.528 19.569 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.481 23.990 18.690 1.00 0.10 H new ATOM 0 HD21 LEU B 34 19.780 24.676 17.516 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.278 24.649 16.555 1.00 0.11 H new ATOM 0 HD23 LEU B 34 19.865 23.705 16.027 1.00 0.11 H new ATOM 1880 N LYS B 35 23.733 19.642 15.886 1.00 0.13 N ATOM 1881 CA LYS B 35 23.887 18.250 15.373 1.00 0.17 C ATOM 1882 C LYS B 35 24.606 17.381 16.408 1.00 0.19 C ATOM 1883 O LYS B 35 24.286 16.222 16.587 1.00 0.28 O ATOM 1884 CB LYS B 35 24.701 18.276 14.076 1.00 0.16 C ATOM 1885 CG LYS B 35 24.540 16.943 13.340 1.00 0.19 C ATOM 1886 CD LYS B 35 25.244 17.019 11.983 1.00 0.26 C ATOM 1887 CE LYS B 35 24.989 15.727 11.203 1.00 0.70 C ATOM 1888 NZ LYS B 35 25.842 15.707 9.981 1.00 1.58 N ATOM 0 H LYS B 35 24.072 20.374 15.262 1.00 0.13 H new ATOM 0 HA LYS B 35 22.900 17.829 15.183 1.00 0.17 H new ATOM 0 HB2 LYS B 35 24.366 19.096 13.441 1.00 0.16 H new ATOM 0 HB3 LYS B 35 25.753 18.455 14.299 1.00 0.16 H new ATOM 0 HG2 LYS B 35 24.962 16.134 13.936 1.00 0.19 H new ATOM 0 HG3 LYS B 35 23.483 16.718 13.201 1.00 0.19 H new ATOM 0 HD2 LYS B 35 24.877 17.876 11.418 1.00 0.26 H new ATOM 0 HD3 LYS B 35 26.315 17.166 12.124 1.00 0.26 H new ATOM 0 HE2 LYS B 35 25.211 14.862 11.828 1.00 0.70 H new ATOM 0 HE3 LYS B 35 23.937 15.658 10.926 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 26.200 14.743 9.823 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 25.279 16.006 9.159 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 26.643 16.358 10.106 1.00 1.58 H new ATOM 1902 N ASP B 36 25.583 17.921 17.084 1.00 0.23 N ATOM 1903 CA ASP B 36 26.329 17.116 18.097 1.00 0.28 C ATOM 1904 C ASP B 36 25.621 17.181 19.449 1.00 0.26 C ATOM 1905 O ASP B 36 25.562 16.210 20.177 1.00 0.39 O ATOM 1906 CB ASP B 36 27.740 17.678 18.244 1.00 0.34 C ATOM 1907 CG ASP B 36 28.527 17.421 16.958 1.00 1.23 C ATOM 1908 OD1 ASP B 36 28.400 16.336 16.415 1.00 1.96 O ATOM 1909 OD2 ASP B 36 29.243 18.315 16.537 1.00 1.92 O ATOM 0 H ASP B 36 25.898 18.885 16.980 1.00 0.23 H new ATOM 0 HA ASP B 36 26.371 16.078 17.766 1.00 0.28 H new ATOM 0 HB2 ASP B 36 27.697 18.748 18.450 1.00 0.34 H new ATOM 0 HB3 ASP B 36 28.243 17.211 19.091 1.00 0.34 H new ATOM 1914 N ALA B 37 25.097 18.320 19.799 1.00 0.21 N ATOM 1915 CA ALA B 37 24.410 18.453 21.111 1.00 0.21 C ATOM 1916 C ALA B 37 23.025 17.825 21.037 1.00 0.20 C ATOM 1917 O ALA B 37 22.083 18.317 21.626 1.00 0.24 O ATOM 1918 CB ALA B 37 24.258 19.933 21.441 1.00 0.22 C ATOM 0 H ALA B 37 25.115 19.167 19.231 1.00 0.21 H new ATOM 0 HA ALA B 37 24.998 17.949 21.878 1.00 0.21 H new ATOM 0 HB1 ALA B 37 23.755 20.042 22.402 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.243 20.397 21.492 1.00 0.22 H new ATOM 0 HB3 ALA B 37 23.667 20.420 20.665 1.00 0.22 H new ATOM 1924 N ASP B 38 22.876 16.754 20.312 1.00 0.20 N ATOM 1925 CA ASP B 38 21.530 16.132 20.209 1.00 0.21 C ATOM 1926 C ASP B 38 20.539 17.225 19.806 1.00 0.18 C ATOM 1927 O ASP B 38 19.343 17.104 19.980 1.00 0.21 O ATOM 1928 CB ASP B 38 21.143 15.537 21.571 1.00 0.28 C ATOM 1929 CG ASP B 38 20.118 14.414 21.380 1.00 1.00 C ATOM 1930 OD1 ASP B 38 19.352 14.494 20.434 1.00 1.59 O ATOM 1931 OD2 ASP B 38 20.117 13.495 22.183 1.00 1.86 O ATOM 0 H ASP B 38 23.619 16.287 19.792 1.00 0.20 H new ATOM 0 HA ASP B 38 21.524 15.333 19.467 1.00 0.21 H new ATOM 0 HB2 ASP B 38 22.030 15.150 22.073 1.00 0.28 H new ATOM 0 HB3 ASP B 38 20.728 16.315 22.212 1.00 0.28 H new ATOM 1936 N ALA B 39 21.059 18.300 19.284 1.00 0.14 N ATOM 1937 CA ALA B 39 20.211 19.443 18.870 1.00 0.14 C ATOM 1938 C ALA B 39 19.541 20.051 20.103 1.00 0.15 C ATOM 1939 O ALA B 39 18.643 20.863 19.998 1.00 0.18 O ATOM 1940 CB ALA B 39 19.156 18.979 17.871 1.00 0.16 C ATOM 0 H ALA B 39 22.058 18.433 19.125 1.00 0.14 H new ATOM 0 HA ALA B 39 20.833 20.199 18.390 1.00 0.14 H new ATOM 0 HB1 ALA B 39 18.539 19.827 17.574 1.00 0.16 H new ATOM 0 HB2 ALA B 39 19.646 18.561 16.992 1.00 0.16 H new ATOM 0 HB3 ALA B 39 18.528 18.217 18.333 1.00 0.16 H new ATOM 1946 N ASN B 40 19.982 19.671 21.271 1.00 0.15 N ATOM 1947 CA ASN B 40 19.386 20.231 22.515 1.00 0.18 C ATOM 1948 C ASN B 40 19.995 21.610 22.768 1.00 0.15 C ATOM 1949 O ASN B 40 21.107 21.731 23.242 1.00 0.15 O ATOM 1950 CB ASN B 40 19.698 19.304 23.693 1.00 0.23 C ATOM 1951 CG ASN B 40 18.788 19.647 24.874 1.00 0.91 C ATOM 1952 OD1 ASN B 40 18.276 20.844 24.962 1.00 1.90 O flip ATOM 1953 ND2 ASN B 40 18.543 18.817 25.727 1.00 1.32 N flip ATOM 0 H ASN B 40 20.732 18.995 21.417 1.00 0.15 H new ATOM 0 HA ASN B 40 18.305 20.317 22.408 1.00 0.18 H new ATOM 0 HB2 ASN B 40 19.552 18.265 23.399 1.00 0.23 H new ATOM 0 HB3 ASN B 40 20.743 19.409 23.984 1.00 0.23 H new ATOM 0 HD21 ASN B 40 18.943 17.881 25.658 1.00 1.32 H new ATOM 0 HD22 ASN B 40 17.937 19.056 26.512 1.00 1.32 H new ATOM 1960 N ILE B 41 19.285 22.651 22.434 1.00 0.15 N ATOM 1961 CA ILE B 41 19.831 24.020 22.632 1.00 0.15 C ATOM 1962 C ILE B 41 20.454 24.153 24.027 1.00 0.15 C ATOM 1963 O ILE B 41 21.553 24.650 24.166 1.00 0.14 O ATOM 1964 CB ILE B 41 18.709 25.053 22.422 1.00 0.19 C ATOM 1965 CG1 ILE B 41 18.461 25.177 20.904 1.00 0.21 C ATOM 1966 CG2 ILE B 41 19.114 26.421 23.032 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.330 26.166 20.617 1.00 0.24 C ATOM 0 H ILE B 41 18.348 22.612 22.032 1.00 0.15 H new ATOM 0 HA ILE B 41 20.618 24.206 21.901 1.00 0.15 H new ATOM 0 HB ILE B 41 17.795 24.732 22.922 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.374 25.507 20.408 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.209 24.200 20.491 1.00 0.21 H new ATOM 0 HG21 ILE B 41 18.311 27.141 22.876 1.00 0.21 H new ATOM 0 HG22 ILE B 41 19.294 26.304 24.101 1.00 0.21 H new ATOM 0 HG23 ILE B 41 20.023 26.780 22.549 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.173 26.237 19.541 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.414 25.820 21.095 1.00 0.24 H new ATOM 0 HD13 ILE B 41 17.596 27.147 21.010 1.00 0.24 H new ATOM 1979 N GLU B 42 19.781 23.721 25.059 1.00 0.17 N ATOM 1980 CA GLU B 42 20.370 23.844 26.425 1.00 0.17 C ATOM 1981 C GLU B 42 21.811 23.335 26.400 1.00 0.16 C ATOM 1982 O GLU B 42 22.741 24.058 26.697 1.00 0.18 O ATOM 1983 CB GLU B 42 19.553 23.015 27.419 1.00 0.20 C ATOM 1984 CG GLU B 42 18.207 23.696 27.674 1.00 0.30 C ATOM 1985 CD GLU B 42 17.335 22.791 28.545 1.00 1.03 C ATOM 1986 OE1 GLU B 42 16.977 21.720 28.081 1.00 1.78 O ATOM 1987 OE2 GLU B 42 17.040 23.182 29.663 1.00 1.65 O ATOM 0 H GLU B 42 18.857 23.292 25.018 1.00 0.17 H new ATOM 0 HA GLU B 42 20.354 24.889 26.733 1.00 0.17 H new ATOM 0 HB2 GLU B 42 19.395 22.011 27.026 1.00 0.20 H new ATOM 0 HB3 GLU B 42 20.101 22.908 28.355 1.00 0.20 H new ATOM 0 HG2 GLU B 42 18.361 24.656 28.168 1.00 0.30 H new ATOM 0 HG3 GLU B 42 17.706 23.901 26.728 1.00 0.30 H new ATOM 1994 N GLU B 43 22.003 22.101 26.036 1.00 0.16 N ATOM 1995 CA GLU B 43 23.385 21.553 25.980 1.00 0.16 C ATOM 1996 C GLU B 43 24.206 22.368 24.979 1.00 0.14 C ATOM 1997 O GLU B 43 25.246 22.899 25.303 1.00 0.20 O ATOM 1998 CB GLU B 43 23.342 20.091 25.534 1.00 0.18 C ATOM 1999 CG GLU B 43 24.765 19.530 25.490 1.00 0.30 C ATOM 2000 CD GLU B 43 24.712 18.005 25.383 1.00 1.21 C ATOM 2001 OE1 GLU B 43 23.815 17.507 24.722 1.00 1.89 O ATOM 2002 OE2 GLU B 43 25.570 17.360 25.964 1.00 1.96 O ATOM 0 H GLU B 43 21.264 21.448 25.775 1.00 0.16 H new ATOM 0 HA GLU B 43 23.842 21.613 26.968 1.00 0.16 H new ATOM 0 HB2 GLU B 43 22.731 19.507 26.222 1.00 0.18 H new ATOM 0 HB3 GLU B 43 22.878 20.013 24.551 1.00 0.18 H new ATOM 0 HG2 GLU B 43 25.305 19.946 24.639 1.00 0.30 H new ATOM 0 HG3 GLU B 43 25.310 19.823 26.387 1.00 0.30 H new ATOM 2009 N ALA B 44 23.747 22.476 23.763 1.00 0.12 N ATOM 2010 CA ALA B 44 24.512 23.261 22.754 1.00 0.12 C ATOM 2011 C ALA B 44 24.855 24.638 23.334 1.00 0.12 C ATOM 2012 O ALA B 44 25.987 25.077 23.285 1.00 0.14 O ATOM 2013 CB ALA B 44 23.667 23.406 21.478 1.00 0.13 C ATOM 0 H ALA B 44 22.880 22.057 23.426 1.00 0.12 H new ATOM 0 HA ALA B 44 25.440 22.746 22.505 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.223 23.980 20.737 1.00 0.13 H new ATOM 0 HB2 ALA B 44 23.441 22.418 21.077 1.00 0.13 H new ATOM 0 HB3 ALA B 44 22.737 23.923 21.714 1.00 0.13 H new ATOM 2019 N SER B 45 23.896 25.323 23.887 1.00 0.12 N ATOM 2020 CA SER B 45 24.194 26.662 24.467 1.00 0.16 C ATOM 2021 C SER B 45 25.253 26.498 25.558 1.00 0.15 C ATOM 2022 O SER B 45 26.124 27.328 25.726 1.00 0.16 O ATOM 2023 CB SER B 45 22.920 27.263 25.077 1.00 0.19 C ATOM 2024 OG SER B 45 22.838 26.904 26.451 1.00 0.82 O ATOM 0 H SER B 45 22.926 25.018 23.963 1.00 0.12 H new ATOM 0 HA SER B 45 24.560 27.328 23.685 1.00 0.16 H new ATOM 0 HB2 SER B 45 22.931 28.348 24.974 1.00 0.19 H new ATOM 0 HB3 SER B 45 22.042 26.901 24.542 1.00 0.19 H new ATOM 0 HG SER B 45 22.723 25.934 26.529 1.00 0.82 H new ATOM 2030 N ARG B 46 25.182 25.426 26.298 1.00 0.17 N ATOM 2031 CA ARG B 46 26.180 25.194 27.377 1.00 0.20 C ATOM 2032 C ARG B 46 27.544 24.899 26.746 1.00 0.17 C ATOM 2033 O ARG B 46 28.574 25.060 27.369 1.00 0.23 O ATOM 2034 CB ARG B 46 25.728 24.006 28.237 1.00 0.24 C ATOM 2035 CG ARG B 46 24.480 24.399 29.061 1.00 0.84 C ATOM 2036 CD ARG B 46 23.631 23.155 29.425 1.00 1.21 C ATOM 2037 NE ARG B 46 23.327 23.185 30.884 1.00 1.63 N ATOM 2038 CZ ARG B 46 22.395 22.414 31.374 1.00 2.08 C ATOM 2039 NH1 ARG B 46 21.720 21.624 30.585 1.00 2.50 N ATOM 2040 NH2 ARG B 46 22.137 22.435 32.653 1.00 2.80 N ATOM 0 H ARG B 46 24.473 24.699 26.201 1.00 0.17 H new ATOM 0 HA ARG B 46 26.262 26.080 28.007 1.00 0.20 H new ATOM 0 HB2 ARG B 46 25.500 23.151 27.601 1.00 0.24 H new ATOM 0 HB3 ARG B 46 26.534 23.701 28.904 1.00 0.24 H new ATOM 0 HG2 ARG B 46 24.790 24.910 29.973 1.00 0.84 H new ATOM 0 HG3 ARG B 46 23.873 25.103 28.492 1.00 0.84 H new ATOM 0 HD2 ARG B 46 22.706 23.148 28.848 1.00 1.21 H new ATOM 0 HD3 ARG B 46 24.172 22.243 29.172 1.00 1.21 H new ATOM 0 HE ARG B 46 23.848 23.809 31.500 1.00 1.63 H new ATOM 0 HH11 ARG B 46 21.921 21.609 29.585 1.00 2.50 H new ATOM 0 HH12 ARG B 46 20.992 21.021 30.968 1.00 2.50 H new ATOM 0 HH21 ARG B 46 22.664 23.054 33.269 1.00 2.80 H new ATOM 0 HH22 ARG B 46 21.409 21.833 33.036 1.00 2.80 H new ATOM 2054 N ARG B 47 27.560 24.483 25.506 1.00 0.13 N ATOM 2055 CA ARG B 47 28.860 24.195 24.834 1.00 0.12 C ATOM 2056 C ARG B 47 29.482 25.513 24.372 1.00 0.11 C ATOM 2057 O ARG B 47 30.606 25.834 24.702 1.00 0.12 O ATOM 2058 CB ARG B 47 28.635 23.298 23.614 1.00 0.15 C ATOM 2059 CG ARG B 47 28.199 21.901 24.058 1.00 0.32 C ATOM 2060 CD ARG B 47 28.060 21.002 22.828 1.00 0.54 C ATOM 2061 NE ARG B 47 27.826 19.601 23.267 1.00 0.95 N ATOM 2062 CZ ARG B 47 27.433 18.705 22.406 1.00 1.20 C ATOM 2063 NH1 ARG B 47 27.250 19.039 21.158 1.00 1.81 N ATOM 2064 NH2 ARG B 47 27.224 17.477 22.792 1.00 1.62 N ATOM 0 H ARG B 47 26.731 24.331 24.932 1.00 0.13 H new ATOM 0 HA ARG B 47 29.522 23.687 25.536 1.00 0.12 H new ATOM 0 HB2 ARG B 47 27.875 23.736 22.967 1.00 0.15 H new ATOM 0 HB3 ARG B 47 29.552 23.232 23.028 1.00 0.15 H new ATOM 0 HG2 ARG B 47 28.930 21.481 24.749 1.00 0.32 H new ATOM 0 HG3 ARG B 47 27.250 21.956 24.592 1.00 0.32 H new ATOM 0 HD2 ARG B 47 27.233 21.343 22.206 1.00 0.54 H new ATOM 0 HD3 ARG B 47 28.962 21.058 22.218 1.00 0.54 H new ATOM 0 HE ARG B 47 27.973 19.341 24.242 1.00 0.95 H new ATOM 0 HH11 ARG B 47 27.415 20.000 20.858 1.00 1.81 H new ATOM 0 HH12 ARG B 47 26.942 18.339 20.483 1.00 1.81 H new ATOM 0 HH21 ARG B 47 27.368 17.218 23.768 1.00 1.62 H new ATOM 0 HH22 ARG B 47 26.916 16.776 22.118 1.00 1.62 H new ATOM 2078 N ILE B 48 28.750 26.281 23.613 1.00 0.10 N ATOM 2079 CA ILE B 48 29.284 27.585 23.127 1.00 0.09 C ATOM 2080 C ILE B 48 29.759 28.395 24.328 1.00 0.10 C ATOM 2081 O ILE B 48 30.893 28.818 24.397 1.00 0.10 O ATOM 2082 CB ILE B 48 28.189 28.356 22.390 1.00 0.10 C ATOM 2083 CG1 ILE B 48 27.576 27.453 21.312 1.00 0.10 C ATOM 2084 CG2 ILE B 48 28.801 29.604 21.739 1.00 0.10 C ATOM 2085 CD1 ILE B 48 26.351 28.128 20.696 1.00 0.10 C ATOM 0 H ILE B 48 27.802 26.061 23.307 1.00 0.10 H new ATOM 0 HA ILE B 48 30.113 27.410 22.441 1.00 0.09 H new ATOM 0 HB ILE B 48 27.411 28.660 23.091 1.00 0.10 H new ATOM 0 HG12 ILE B 48 28.314 27.245 20.538 1.00 0.10 H new ATOM 0 HG13 ILE B 48 27.292 26.495 21.747 1.00 0.10 H new ATOM 0 HG21 ILE B 48 28.024 30.158 21.212 1.00 0.10 H new ATOM 0 HG22 ILE B 48 29.239 30.238 22.509 1.00 0.10 H new ATOM 0 HG23 ILE B 48 29.575 29.304 21.033 1.00 0.10 H new ATOM 0 HD11 ILE B 48 25.923 27.479 19.932 1.00 0.10 H new ATOM 0 HD12 ILE B 48 25.608 28.313 21.472 1.00 0.10 H new ATOM 0 HD13 ILE B 48 26.646 29.075 20.244 1.00 0.10 H new ATOM 2097 N GLU B 49 28.897 28.599 25.284 1.00 0.10 N ATOM 2098 CA GLU B 49 29.291 29.366 26.501 1.00 0.11 C ATOM 2099 C GLU B 49 30.622 28.826 27.013 1.00 0.11 C ATOM 2100 O GLU B 49 31.615 29.524 27.061 1.00 0.12 O ATOM 2101 CB GLU B 49 28.233 29.161 27.579 1.00 0.13 C ATOM 2102 CG GLU B 49 27.007 30.031 27.281 1.00 0.14 C ATOM 2103 CD GLU B 49 27.293 31.480 27.682 1.00 0.16 C ATOM 2104 OE1 GLU B 49 28.410 31.753 28.090 1.00 1.10 O ATOM 2105 OE2 GLU B 49 26.389 32.293 27.575 1.00 1.07 O ATOM 0 H GLU B 49 27.933 28.267 25.276 1.00 0.10 H new ATOM 0 HA GLU B 49 29.381 30.425 26.261 1.00 0.11 H new ATOM 0 HB2 GLU B 49 27.943 28.111 27.621 1.00 0.13 H new ATOM 0 HB3 GLU B 49 28.643 29.418 28.556 1.00 0.13 H new ATOM 0 HG2 GLU B 49 26.761 29.979 26.220 1.00 0.14 H new ATOM 0 HG3 GLU B 49 26.142 29.656 27.828 1.00 0.14 H new ATOM 2112 N GLU B 50 30.654 27.569 27.369 1.00 0.12 N ATOM 2113 CA GLU B 50 31.926 26.969 27.846 1.00 0.12 C ATOM 2114 C GLU B 50 32.979 27.265 26.791 1.00 0.11 C ATOM 2115 O GLU B 50 34.160 27.257 27.047 1.00 0.11 O ATOM 2116 CB GLU B 50 31.760 25.455 28.011 1.00 0.14 C ATOM 2117 CG GLU B 50 32.946 24.892 28.798 1.00 0.17 C ATOM 2118 CD GLU B 50 32.703 23.412 29.100 1.00 1.14 C ATOM 2119 OE1 GLU B 50 31.798 22.848 28.506 1.00 1.97 O ATOM 2120 OE2 GLU B 50 33.425 22.869 29.919 1.00 1.78 O ATOM 0 H GLU B 50 29.854 26.936 27.349 1.00 0.12 H new ATOM 0 HA GLU B 50 32.215 27.383 28.812 1.00 0.12 H new ATOM 0 HB2 GLU B 50 30.828 25.236 28.532 1.00 0.14 H new ATOM 0 HB3 GLU B 50 31.699 24.977 27.033 1.00 0.14 H new ATOM 0 HG2 GLU B 50 33.865 25.011 28.225 1.00 0.17 H new ATOM 0 HG3 GLU B 50 33.076 25.447 29.727 1.00 0.17 H new ATOM 2127 N GLY B 51 32.531 27.553 25.603 1.00 0.10 N ATOM 2128 CA GLY B 51 33.478 27.889 24.499 1.00 0.09 C ATOM 2129 C GLY B 51 33.841 29.371 24.612 1.00 0.09 C ATOM 2130 O GLY B 51 34.997 29.738 24.685 1.00 0.10 O ATOM 0 H GLY B 51 31.544 27.571 25.345 1.00 0.10 H new ATOM 0 HA2 GLY B 51 34.374 27.272 24.567 1.00 0.09 H new ATOM 0 HA3 GLY B 51 33.021 27.683 23.531 1.00 0.09 H new ATOM 2134 N GLN B 52 32.849 30.224 24.650 1.00 0.10 N ATOM 2135 CA GLN B 52 33.107 31.689 24.787 1.00 0.11 C ATOM 2136 C GLN B 52 34.074 31.899 25.942 1.00 0.11 C ATOM 2137 O GLN B 52 35.038 32.631 25.842 1.00 0.13 O ATOM 2138 CB GLN B 52 31.785 32.403 25.088 1.00 0.13 C ATOM 2139 CG GLN B 52 30.760 32.088 23.986 1.00 0.19 C ATOM 2140 CD GLN B 52 31.013 32.977 22.768 1.00 0.54 C ATOM 2141 OE1 GLN B 52 32.098 33.692 22.721 1.00 1.37 O flip ATOM 2142 NE2 GLN B 52 30.215 33.019 21.853 1.00 0.74 N flip ATOM 0 H GLN B 52 31.864 29.966 24.591 1.00 0.10 H new ATOM 0 HA GLN B 52 33.532 32.090 23.867 1.00 0.11 H new ATOM 0 HB2 GLN B 52 31.401 32.083 26.057 1.00 0.13 H new ATOM 0 HB3 GLN B 52 31.948 33.479 25.149 1.00 0.13 H new ATOM 0 HG2 GLN B 52 30.831 31.038 23.701 1.00 0.19 H new ATOM 0 HG3 GLN B 52 29.749 32.249 24.361 1.00 0.19 H new ATOM 0 HE21 GLN B 52 29.364 32.457 21.892 1.00 0.74 H new ATOM 0 HE22 GLN B 52 30.396 33.616 21.046 1.00 0.74 H new ATOM 2151 N TYR B 53 33.822 31.247 27.036 1.00 0.11 N ATOM 2152 CA TYR B 53 34.729 31.388 28.207 1.00 0.13 C ATOM 2153 C TYR B 53 36.138 30.913 27.811 1.00 0.13 C ATOM 2154 O TYR B 53 37.118 31.588 28.059 1.00 0.16 O ATOM 2155 CB TYR B 53 34.189 30.555 29.388 1.00 0.14 C ATOM 2156 CG TYR B 53 35.297 30.297 30.387 1.00 0.17 C ATOM 2157 CD1 TYR B 53 36.187 29.247 30.163 1.00 0.17 C ATOM 2158 CD2 TYR B 53 35.444 31.111 31.516 1.00 0.22 C ATOM 2159 CE1 TYR B 53 37.228 29.000 31.058 1.00 0.22 C ATOM 2160 CE2 TYR B 53 36.489 30.868 32.419 1.00 0.26 C ATOM 2161 CZ TYR B 53 37.383 29.812 32.189 1.00 0.25 C ATOM 2162 OH TYR B 53 38.412 29.572 33.076 1.00 0.30 O ATOM 0 H TYR B 53 33.028 30.622 27.173 1.00 0.11 H new ATOM 0 HA TYR B 53 34.778 32.432 28.516 1.00 0.13 H new ATOM 0 HB2 TYR B 53 33.368 31.084 29.872 1.00 0.14 H new ATOM 0 HB3 TYR B 53 33.789 29.609 29.024 1.00 0.14 H new ATOM 0 HD1 TYR B 53 36.069 28.621 29.291 1.00 0.17 H new ATOM 0 HD2 TYR B 53 34.755 31.924 31.691 1.00 0.22 H new ATOM 0 HE1 TYR B 53 37.913 28.184 30.879 1.00 0.22 H new ATOM 0 HE2 TYR B 53 36.605 31.494 33.291 1.00 0.26 H new ATOM 0 HH TYR B 53 38.376 30.227 33.804 1.00 0.30 H new ATOM 2172 N VAL B 54 36.253 29.760 27.204 1.00 0.11 N ATOM 2173 CA VAL B 54 37.608 29.266 26.811 1.00 0.12 C ATOM 2174 C VAL B 54 38.328 30.357 26.022 1.00 0.12 C ATOM 2175 O VAL B 54 39.331 30.893 26.449 1.00 0.13 O ATOM 2176 CB VAL B 54 37.496 28.009 25.927 1.00 0.11 C ATOM 2177 CG1 VAL B 54 38.905 27.606 25.473 1.00 0.13 C ATOM 2178 CG2 VAL B 54 36.846 26.833 26.705 1.00 0.12 C ATOM 0 H VAL B 54 35.476 29.144 26.965 1.00 0.11 H new ATOM 0 HA VAL B 54 38.163 29.016 27.715 1.00 0.12 H new ATOM 0 HB VAL B 54 36.864 28.234 25.068 1.00 0.11 H new ATOM 0 HG11 VAL B 54 38.845 26.717 24.845 1.00 0.13 H new ATOM 0 HG12 VAL B 54 39.351 28.422 24.904 1.00 0.13 H new ATOM 0 HG13 VAL B 54 39.522 27.393 26.346 1.00 0.13 H new ATOM 0 HG21 VAL B 54 36.780 25.960 26.056 1.00 0.12 H new ATOM 0 HG22 VAL B 54 37.455 26.592 27.576 1.00 0.12 H new ATOM 0 HG23 VAL B 54 35.846 27.120 27.030 1.00 0.12 H new ATOM 2188 N VAL B 55 37.821 30.685 24.869 1.00 0.11 N ATOM 2189 CA VAL B 55 38.467 31.735 24.038 1.00 0.11 C ATOM 2190 C VAL B 55 38.669 32.993 24.883 1.00 0.14 C ATOM 2191 O VAL B 55 39.767 33.496 25.018 1.00 0.17 O ATOM 2192 CB VAL B 55 37.567 32.054 22.841 1.00 0.11 C ATOM 2193 CG1 VAL B 55 38.302 32.988 21.878 1.00 0.13 C ATOM 2194 CG2 VAL B 55 37.212 30.752 22.115 1.00 0.10 C ATOM 0 H VAL B 55 36.982 30.269 24.464 1.00 0.11 H new ATOM 0 HA VAL B 55 39.434 31.382 23.680 1.00 0.11 H new ATOM 0 HB VAL B 55 36.657 32.541 23.191 1.00 0.11 H new ATOM 0 HG11 VAL B 55 37.659 33.213 21.027 1.00 0.13 H new ATOM 0 HG12 VAL B 55 38.559 33.913 22.394 1.00 0.13 H new ATOM 0 HG13 VAL B 55 39.213 32.504 21.526 1.00 0.13 H new ATOM 0 HG21 VAL B 55 36.571 30.974 21.262 1.00 0.10 H new ATOM 0 HG22 VAL B 55 38.125 30.269 21.767 1.00 0.10 H new ATOM 0 HG23 VAL B 55 36.687 30.085 22.799 1.00 0.10 H new ATOM 2204 N ASN B 56 37.614 33.502 25.452 1.00 0.16 N ATOM 2205 CA ASN B 56 37.735 34.729 26.290 1.00 0.20 C ATOM 2206 C ASN B 56 38.812 34.519 27.358 1.00 0.22 C ATOM 2207 O ASN B 56 39.687 35.342 27.540 1.00 0.31 O ATOM 2208 CB ASN B 56 36.394 35.016 26.970 1.00 0.26 C ATOM 2209 CG ASN B 56 36.547 36.203 27.922 1.00 0.52 C ATOM 2210 OD1 ASN B 56 37.369 36.178 28.816 1.00 1.35 O ATOM 2211 ND2 ASN B 56 35.784 37.250 27.767 1.00 0.91 N ATOM 0 H ASN B 56 36.671 33.122 25.374 1.00 0.16 H new ATOM 0 HA ASN B 56 38.012 35.572 25.657 1.00 0.20 H new ATOM 0 HB2 ASN B 56 35.633 35.234 26.220 1.00 0.26 H new ATOM 0 HB3 ASN B 56 36.058 34.137 27.519 1.00 0.26 H new ATOM 0 HD21 ASN B 56 35.878 38.047 28.396 1.00 0.91 H new ATOM 0 HD22 ASN B 56 35.094 37.271 27.016 1.00 0.91 H new