USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 22 TYR OH : rot 15:sc= -0.482 USER MOD Set 1.2: B 52 GLN : amide:sc= -0.491 K(o=-0.97,f=-2.9!) USER MOD Set 2.1: A 22 TYR OH : rot -48:sc= -2.54! USER MOD Set 2.2: A 52 GLN : amide:sc= -1.94! K(o=-4.5!,f=-0.98) USER MOD Set 3.1: A 13 CYS SG : rot -155:sc= -5.89 USER MOD Set 3.2: A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -3.33! C(o=-3.3!,f=-1.9!) USER MOD Single : A 15 LYS NZ :NH3+ -107:sc= 0.319 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.153) USER MOD Single : A 30 MET CE :methyl 174:sc= -3.36 (180deg=-3.75!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.2!) USER MOD Single : A 45 SER OG : rot -66:sc= -0.272 USER MOD Single : A 53 TYR OH : rot 13:sc= 0.941 USER MOD Single : A 56 ASN : amide:sc= -5.79! C(o=-5.8!,f=-3!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot 72:sc= -1.13 USER MOD Single : B 14 GLN : amide:sc= -3.58! K(o=-3.6!,f=-2.2) USER MOD Single : B 15 LYS NZ :NH3+ 168:sc= 0.105 (180deg=-0.503!) USER MOD Single : B 19 LYS NZ :NH3+ -160:sc= -0.0347 (180deg=-0.524) USER MOD Single : B 27 MET CE :methyl -145:sc=-7.8e-05 (180deg=-0.068) USER MOD Single : B 30 MET CE :methyl -161:sc= -3.71 (180deg=-5.72!) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 ASN : amide:sc= -0.0589 K(o=-0.059,f=-2!) USER MOD Single : B 45 SER OG : rot -65:sc= -0.245 USER MOD Single : B 53 TYR OH : rot 9:sc= 0.186 USER MOD Single : B 56 ASN : amide:sc= -4.34! C(o=-4.3!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 44.161 22.475 17.747 1.00 44.59 N ATOM 107 CA PHE A 9 42.702 22.726 17.742 1.00 42.14 C ATOM 108 C PHE A 9 42.464 24.221 17.541 1.00 41.09 C ATOM 109 O PHE A 9 41.878 24.643 16.564 1.00 40.10 O ATOM 110 CB PHE A 9 42.097 22.274 19.084 1.00 39.48 C ATOM 111 CG PHE A 9 40.642 21.968 18.884 1.00 35.93 C ATOM 112 CD1 PHE A 9 39.710 23.007 18.909 1.00 33.89 C ATOM 113 CD2 PHE A 9 40.228 20.654 18.656 1.00 34.84 C ATOM 114 CE1 PHE A 9 38.360 22.732 18.709 1.00 31.72 C ATOM 115 CE2 PHE A 9 38.877 20.380 18.453 1.00 33.98 C ATOM 116 CZ PHE A 9 37.945 21.422 18.480 1.00 33.09 C ATOM 0 HA PHE A 9 42.228 22.166 16.936 1.00 42.14 H new ATOM 0 HB2 PHE A 9 42.620 21.392 19.455 1.00 39.48 H new ATOM 0 HB3 PHE A 9 42.218 23.056 19.834 1.00 39.48 H new ATOM 0 HD1 PHE A 9 40.036 24.022 19.083 1.00 33.89 H new ATOM 0 HD2 PHE A 9 40.952 19.853 18.637 1.00 34.84 H new ATOM 0 HE1 PHE A 9 37.636 23.533 18.731 1.00 31.72 H new ATOM 0 HE2 PHE A 9 38.551 19.366 18.275 1.00 33.98 H new ATOM 0 HZ PHE A 9 36.898 21.210 18.322 1.00 33.09 H new ATOM 126 N LEU A 10 42.933 25.025 18.452 1.00 40.61 N ATOM 127 CA LEU A 10 42.750 26.492 18.300 1.00 40.95 C ATOM 128 C LEU A 10 43.412 26.919 16.994 1.00 41.08 C ATOM 129 O LEU A 10 42.934 27.792 16.297 1.00 37.24 O ATOM 130 CB LEU A 10 43.395 27.222 19.476 1.00 41.66 C ATOM 131 CG LEU A 10 42.872 26.638 20.793 1.00 43.24 C ATOM 132 CD1 LEU A 10 43.489 27.400 21.956 1.00 42.19 C ATOM 133 CD2 LEU A 10 41.346 26.773 20.863 1.00 41.41 C ATOM 0 H LEU A 10 43.433 24.731 19.291 1.00 40.61 H new ATOM 0 HA LEU A 10 41.689 26.740 18.283 1.00 40.95 H new ATOM 0 HB2 LEU A 10 44.479 27.123 19.428 1.00 41.66 H new ATOM 0 HB3 LEU A 10 43.169 28.287 19.424 1.00 41.66 H new ATOM 0 HG LEU A 10 43.142 25.583 20.846 1.00 43.24 H new ATOM 0 HD11 LEU A 10 43.121 26.989 22.896 1.00 42.19 H new ATOM 0 HD12 LEU A 10 44.574 27.305 21.919 1.00 42.19 H new ATOM 0 HD13 LEU A 10 43.215 28.453 21.888 1.00 42.19 H new ATOM 0 HD21 LEU A 10 40.986 26.355 21.803 1.00 41.41 H new ATOM 0 HD22 LEU A 10 41.071 27.826 20.806 1.00 41.41 H new ATOM 0 HD23 LEU A 10 40.894 26.234 20.030 1.00 41.41 H new ATOM 145 N ASP A 11 44.501 26.289 16.646 1.00 41.30 N ATOM 146 CA ASP A 11 45.181 26.639 15.371 1.00 41.83 C ATOM 147 C ASP A 11 44.178 26.432 14.233 1.00 40.90 C ATOM 148 O ASP A 11 43.887 27.343 13.484 1.00 39.80 O ATOM 149 CB ASP A 11 46.414 25.739 15.184 1.00 44.60 C ATOM 150 CG ASP A 11 47.450 26.439 14.299 1.00 47.53 C ATOM 151 OD1 ASP A 11 47.707 27.609 14.534 1.00 48.01 O ATOM 152 OD2 ASP A 11 47.968 25.794 13.403 1.00 48.56 O ATOM 0 H ASP A 11 44.947 25.549 17.189 1.00 41.30 H new ATOM 0 HA ASP A 11 45.518 27.676 15.379 1.00 41.83 H new ATOM 0 HB2 ASP A 11 46.853 25.504 16.154 1.00 44.60 H new ATOM 0 HB3 ASP A 11 46.118 24.793 14.731 1.00 44.60 H new ATOM 157 N TYR A 12 43.613 25.251 14.112 1.00 39.29 N ATOM 158 CA TYR A 12 42.600 25.039 13.036 1.00 38.27 C ATOM 159 C TYR A 12 41.536 26.105 13.206 1.00 34.82 C ATOM 160 O TYR A 12 41.202 26.833 12.292 1.00 33.76 O ATOM 161 CB TYR A 12 41.902 23.682 13.180 1.00 42.68 C ATOM 162 CG TYR A 12 42.873 22.518 13.206 1.00 45.94 C ATOM 163 CD1 TYR A 12 43.993 22.468 12.356 1.00 47.36 C ATOM 164 CD2 TYR A 12 42.622 21.457 14.082 1.00 48.31 C ATOM 165 CE1 TYR A 12 44.848 21.358 12.396 1.00 48.74 C ATOM 166 CE2 TYR A 12 43.471 20.359 14.121 1.00 49.78 C ATOM 167 CZ TYR A 12 44.586 20.303 13.278 1.00 49.89 C ATOM 168 OH TYR A 12 45.427 19.209 13.318 1.00 52.12 O ATOM 0 H TYR A 12 43.807 24.442 14.701 1.00 39.29 H new ATOM 0 HA TYR A 12 43.100 25.081 12.068 1.00 38.27 H new ATOM 0 HB2 TYR A 12 41.313 23.678 14.097 1.00 42.68 H new ATOM 0 HB3 TYR A 12 41.205 23.548 12.353 1.00 42.68 H new ATOM 0 HD1 TYR A 12 44.193 23.282 11.675 1.00 47.36 H new ATOM 0 HD2 TYR A 12 41.761 21.492 14.733 1.00 48.31 H new ATOM 0 HE1 TYR A 12 45.709 21.317 11.746 1.00 48.74 H new ATOM 0 HE2 TYR A 12 43.270 19.546 14.804 1.00 49.78 H new ATOM 0 HH TYR A 12 45.101 18.570 13.986 1.00 52.12 H new ATOM 178 N CYS A 13 41.010 26.193 14.396 1.00 32.26 N ATOM 179 CA CYS A 13 39.968 27.202 14.699 1.00 30.43 C ATOM 180 C CYS A 13 40.381 28.534 14.074 1.00 30.74 C ATOM 181 O CYS A 13 39.654 29.114 13.301 1.00 28.86 O ATOM 182 CB CYS A 13 39.849 27.325 16.223 1.00 30.34 C ATOM 183 SG CYS A 13 38.173 27.819 16.677 1.00 24.58 S ATOM 0 H CYS A 13 41.266 25.596 15.182 1.00 32.26 H new ATOM 0 HA CYS A 13 39.001 26.910 14.289 1.00 30.43 H new ATOM 0 HB2 CYS A 13 40.096 26.373 16.693 1.00 30.34 H new ATOM 0 HB3 CYS A 13 40.565 28.058 16.593 1.00 30.34 H new ATOM 0 HG CYS A 13 38.196 28.425 17.827 1.00 24.58 H new ATOM 189 N GLN A 14 41.558 29.000 14.386 1.00 32.92 N ATOM 190 CA GLN A 14 42.031 30.281 13.800 1.00 34.93 C ATOM 191 C GLN A 14 41.994 30.184 12.271 1.00 35.74 C ATOM 192 O GLN A 14 41.593 31.107 11.594 1.00 35.15 O ATOM 193 CB GLN A 14 43.462 30.562 14.277 1.00 36.23 C ATOM 194 CG GLN A 14 43.776 32.055 14.143 1.00 40.72 C ATOM 195 CD GLN A 14 43.921 32.426 12.669 1.00 42.88 C ATOM 196 OE1 GLN A 14 43.509 33.492 12.255 1.00 45.84 O ATOM 197 NE2 GLN A 14 44.493 31.590 11.853 1.00 44.23 N ATOM 0 H GLN A 14 42.213 28.547 15.023 1.00 32.92 H new ATOM 0 HA GLN A 14 41.383 31.096 14.121 1.00 34.93 H new ATOM 0 HB2 GLN A 14 43.576 30.250 15.315 1.00 36.23 H new ATOM 0 HB3 GLN A 14 44.171 29.979 13.689 1.00 36.23 H new ATOM 0 HG2 GLN A 14 42.981 32.645 14.599 1.00 40.72 H new ATOM 0 HG3 GLN A 14 44.695 32.292 14.679 1.00 40.72 H new ATOM 0 HE21 GLN A 14 44.839 30.695 12.199 1.00 44.23 H new ATOM 0 HE22 GLN A 14 44.595 31.829 10.867 1.00 44.23 H new ATOM 206 N LYS A 15 42.389 29.075 11.709 1.00 35.66 N ATOM 207 CA LYS A 15 42.331 28.962 10.226 1.00 36.27 C ATOM 208 C LYS A 15 40.851 29.012 9.833 1.00 34.97 C ATOM 209 O LYS A 15 40.424 29.865 9.089 1.00 34.84 O ATOM 210 CB LYS A 15 42.962 27.629 9.764 1.00 40.22 C ATOM 211 CG LYS A 15 44.427 27.819 9.366 1.00 44.18 C ATOM 212 CD LYS A 15 45.284 28.064 10.614 1.00 47.52 C ATOM 213 CE LYS A 15 45.731 26.729 11.231 1.00 50.10 C ATOM 214 NZ LYS A 15 47.019 26.305 10.612 1.00 50.42 N ATOM 0 H LYS A 15 42.743 28.256 12.203 1.00 35.66 H new ATOM 0 HA LYS A 15 42.888 29.771 9.753 1.00 36.27 H new ATOM 0 HB2 LYS A 15 42.893 26.894 10.566 1.00 40.22 H new ATOM 0 HB3 LYS A 15 42.401 27.232 8.918 1.00 40.22 H new ATOM 0 HG2 LYS A 15 44.786 26.936 8.837 1.00 44.18 H new ATOM 0 HG3 LYS A 15 44.520 28.661 8.681 1.00 44.18 H new ATOM 0 HD2 LYS A 15 46.158 28.660 10.351 1.00 47.52 H new ATOM 0 HD3 LYS A 15 44.715 28.637 11.346 1.00 47.52 H new ATOM 0 HE2 LYS A 15 45.851 26.836 12.309 1.00 50.10 H new ATOM 0 HE3 LYS A 15 44.968 25.967 11.069 1.00 50.10 H new ATOM 0 HZ1 LYS A 15 46.848 25.506 9.968 1.00 50.42 H new ATOM 0 HZ2 LYS A 15 47.426 27.099 10.078 1.00 50.42 H new ATOM 0 HZ3 LYS A 15 47.683 26.013 11.357 1.00 50.42 H new ATOM 228 N LEU A 16 40.054 28.118 10.353 1.00 31.52 N ATOM 229 CA LEU A 16 38.600 28.147 10.022 1.00 30.64 C ATOM 230 C LEU A 16 38.100 29.576 10.244 1.00 29.20 C ATOM 231 O LEU A 16 37.301 30.103 9.496 1.00 30.83 O ATOM 232 CB LEU A 16 37.858 27.161 10.945 1.00 29.49 C ATOM 233 CG LEU A 16 36.599 26.609 10.254 1.00 29.11 C ATOM 234 CD1 LEU A 16 36.982 25.766 9.022 1.00 29.81 C ATOM 235 CD2 LEU A 16 35.818 25.743 11.255 1.00 25.98 C ATOM 0 H LEU A 16 40.344 27.374 10.988 1.00 31.52 H new ATOM 0 HA LEU A 16 38.422 27.853 8.988 1.00 30.64 H new ATOM 0 HB2 LEU A 16 38.521 26.339 11.214 1.00 29.49 H new ATOM 0 HB3 LEU A 16 37.580 27.663 11.872 1.00 29.49 H new ATOM 0 HG LEU A 16 35.980 27.442 9.920 1.00 29.11 H new ATOM 0 HD11 LEU A 16 36.078 25.384 8.547 1.00 29.81 H new ATOM 0 HD12 LEU A 16 37.530 26.386 8.313 1.00 29.81 H new ATOM 0 HD13 LEU A 16 37.609 24.930 9.333 1.00 29.81 H new ATOM 0 HD21 LEU A 16 34.924 25.347 10.774 1.00 25.98 H new ATOM 0 HD22 LEU A 16 36.446 24.917 11.589 1.00 25.98 H new ATOM 0 HD23 LEU A 16 35.530 26.350 12.114 1.00 25.98 H new ATOM 247 N LEU A 17 38.612 30.205 11.260 1.00 27.96 N ATOM 248 CA LEU A 17 38.238 31.613 11.557 1.00 28.93 C ATOM 249 C LEU A 17 38.765 32.495 10.420 1.00 30.06 C ATOM 250 O LEU A 17 38.123 33.433 9.991 1.00 30.41 O ATOM 251 CB LEU A 17 38.904 32.027 12.878 1.00 24.89 C ATOM 252 CG LEU A 17 38.212 33.273 13.485 1.00 25.03 C ATOM 253 CD1 LEU A 17 37.061 32.860 14.437 1.00 21.31 C ATOM 254 CD2 LEU A 17 39.247 34.106 14.266 1.00 20.22 C ATOM 0 H LEU A 17 39.285 29.797 11.908 1.00 27.96 H new ATOM 0 HA LEU A 17 37.157 31.720 11.643 1.00 28.93 H new ATOM 0 HB2 LEU A 17 38.858 31.200 13.587 1.00 24.89 H new ATOM 0 HB3 LEU A 17 39.959 32.241 12.706 1.00 24.89 H new ATOM 0 HG LEU A 17 37.793 33.865 12.671 1.00 25.03 H new ATOM 0 HD11 LEU A 17 36.592 33.753 14.850 1.00 21.31 H new ATOM 0 HD12 LEU A 17 36.320 32.284 13.883 1.00 21.31 H new ATOM 0 HD13 LEU A 17 37.461 32.252 15.249 1.00 21.31 H new ATOM 0 HD21 LEU A 17 38.761 34.983 14.693 1.00 20.22 H new ATOM 0 HD22 LEU A 17 39.672 33.501 15.067 1.00 20.22 H new ATOM 0 HD23 LEU A 17 40.042 34.425 13.591 1.00 20.22 H new ATOM 266 N GLU A 18 39.943 32.190 9.936 1.00 32.20 N ATOM 267 CA GLU A 18 40.541 32.994 8.830 1.00 35.35 C ATOM 268 C GLU A 18 39.912 32.566 7.495 1.00 35.74 C ATOM 269 O GLU A 18 39.536 33.389 6.683 1.00 35.74 O ATOM 270 CB GLU A 18 42.085 32.796 8.840 1.00 37.07 C ATOM 271 CG GLU A 18 42.564 31.816 7.751 1.00 39.76 C ATOM 272 CD GLU A 18 44.070 31.593 7.901 1.00 41.67 C ATOM 273 OE1 GLU A 18 44.709 32.410 8.543 1.00 43.25 O ATOM 274 OE2 GLU A 18 44.559 30.609 7.372 1.00 43.93 O ATOM 0 H GLU A 18 40.518 31.414 10.263 1.00 32.20 H new ATOM 0 HA GLU A 18 40.337 34.056 8.966 1.00 35.35 H new ATOM 0 HB2 GLU A 18 42.572 33.760 8.696 1.00 37.07 H new ATOM 0 HB3 GLU A 18 42.394 32.426 9.818 1.00 37.07 H new ATOM 0 HG2 GLU A 18 42.033 30.868 7.839 1.00 39.76 H new ATOM 0 HG3 GLU A 18 42.340 32.215 6.762 1.00 39.76 H new ATOM 281 N LYS A 19 39.789 31.286 7.268 1.00 37.19 N ATOM 282 CA LYS A 19 39.180 30.806 5.997 1.00 36.85 C ATOM 283 C LYS A 19 37.861 31.545 5.767 1.00 36.69 C ATOM 284 O LYS A 19 37.600 32.061 4.698 1.00 36.88 O ATOM 285 CB LYS A 19 38.938 29.297 6.092 1.00 36.86 C ATOM 286 CG LYS A 19 38.948 28.665 4.673 1.00 40.15 C ATOM 287 CD LYS A 19 37.882 27.581 4.586 1.00 41.50 C ATOM 288 CE LYS A 19 38.177 26.644 3.411 1.00 44.93 C ATOM 289 NZ LYS A 19 38.211 27.431 2.145 1.00 44.88 N ATOM 0 H LYS A 19 40.085 30.551 7.910 1.00 37.19 H new ATOM 0 HA LYS A 19 39.849 31.003 5.159 1.00 36.85 H new ATOM 0 HB2 LYS A 19 39.708 28.835 6.710 1.00 36.86 H new ATOM 0 HB3 LYS A 19 37.982 29.104 6.578 1.00 36.86 H new ATOM 0 HG2 LYS A 19 38.762 29.432 3.921 1.00 40.15 H new ATOM 0 HG3 LYS A 19 39.929 28.241 4.460 1.00 40.15 H new ATOM 0 HD2 LYS A 19 37.854 27.013 5.516 1.00 41.50 H new ATOM 0 HD3 LYS A 19 36.899 28.036 4.460 1.00 41.50 H new ATOM 0 HE2 LYS A 19 39.131 26.140 3.564 1.00 44.93 H new ATOM 0 HE3 LYS A 19 37.413 25.869 3.350 1.00 44.93 H new ATOM 0 HZ1 LYS A 19 38.156 26.784 1.333 1.00 44.88 H new ATOM 0 HZ2 LYS A 19 37.403 28.086 2.122 1.00 44.88 H new ATOM 0 HZ3 LYS A 19 39.097 27.973 2.097 1.00 44.88 H new ATOM 303 N PHE A 20 37.034 31.609 6.774 1.00 34.99 N ATOM 304 CA PHE A 20 35.735 32.319 6.649 1.00 34.93 C ATOM 305 C PHE A 20 35.919 33.759 7.127 1.00 34.32 C ATOM 306 O PHE A 20 35.000 34.554 7.116 1.00 35.01 O ATOM 307 CB PHE A 20 34.713 31.616 7.533 1.00 34.20 C ATOM 308 CG PHE A 20 34.299 30.317 6.893 1.00 33.79 C ATOM 309 CD1 PHE A 20 35.068 29.166 7.097 1.00 32.30 C ATOM 310 CD2 PHE A 20 33.154 30.262 6.091 1.00 34.75 C ATOM 311 CE1 PHE A 20 34.692 27.960 6.500 1.00 34.86 C ATOM 312 CE2 PHE A 20 32.779 29.057 5.491 1.00 35.66 C ATOM 313 CZ PHE A 20 33.548 27.905 5.696 1.00 35.69 C ATOM 0 H PHE A 20 37.208 31.193 7.689 1.00 34.99 H new ATOM 0 HA PHE A 20 35.392 32.316 5.614 1.00 34.93 H new ATOM 0 HB2 PHE A 20 35.138 31.428 8.519 1.00 34.20 H new ATOM 0 HB3 PHE A 20 33.842 32.255 7.678 1.00 34.20 H new ATOM 0 HD1 PHE A 20 35.952 29.210 7.716 1.00 32.30 H new ATOM 0 HD2 PHE A 20 32.560 31.151 5.936 1.00 34.75 H new ATOM 0 HE1 PHE A 20 35.284 27.071 6.659 1.00 34.86 H new ATOM 0 HE2 PHE A 20 31.897 29.014 4.870 1.00 35.66 H new ATOM 0 HZ PHE A 20 33.258 26.973 5.233 1.00 35.69 H new ATOM 323 N ARG A 21 37.108 34.091 7.551 1.00 34.35 N ATOM 324 CA ARG A 21 37.386 35.472 8.038 1.00 34.08 C ATOM 325 C ARG A 21 36.389 35.859 9.133 1.00 33.06 C ATOM 326 O ARG A 21 35.987 37.001 9.234 1.00 31.60 O ATOM 327 CB ARG A 21 37.276 36.463 6.874 1.00 37.64 C ATOM 328 CG ARG A 21 38.441 36.245 5.895 1.00 41.19 C ATOM 329 CD ARG A 21 39.789 36.638 6.549 1.00 45.12 C ATOM 330 NE ARG A 21 40.598 37.474 5.601 1.00 48.87 N ATOM 331 CZ ARG A 21 40.744 37.134 4.346 1.00 50.17 C ATOM 332 NH1 ARG A 21 40.261 36.006 3.905 1.00 52.38 N ATOM 333 NH2 ARG A 21 41.402 37.917 3.535 1.00 50.69 N ATOM 0 H ARG A 21 37.907 33.457 7.581 1.00 34.35 H new ATOM 0 HA ARG A 21 38.395 35.502 8.449 1.00 34.08 H new ATOM 0 HB2 ARG A 21 36.325 36.329 6.358 1.00 37.64 H new ATOM 0 HB3 ARG A 21 37.292 37.485 7.252 1.00 37.64 H new ATOM 0 HG2 ARG A 21 38.472 35.200 5.587 1.00 41.19 H new ATOM 0 HG3 ARG A 21 38.282 36.839 4.995 1.00 41.19 H new ATOM 0 HD2 ARG A 21 39.607 37.192 7.470 1.00 45.12 H new ATOM 0 HD3 ARG A 21 40.345 35.741 6.821 1.00 45.12 H new ATOM 0 HE ARG A 21 41.044 38.326 5.942 1.00 48.87 H new ATOM 0 HH11 ARG A 21 39.765 35.381 4.540 1.00 52.38 H new ATOM 0 HH12 ARG A 21 40.379 35.749 2.925 1.00 52.38 H new ATOM 0 HH21 ARG A 21 41.800 38.790 3.880 1.00 50.69 H new ATOM 0 HH22 ARG A 21 41.518 37.656 2.556 1.00 50.69 H new ATOM 347 N TYR A 22 35.988 34.930 9.961 1.00 30.22 N ATOM 348 CA TYR A 22 35.026 35.277 11.040 1.00 29.11 C ATOM 349 C TYR A 22 35.750 36.170 12.083 1.00 27.15 C ATOM 350 O TYR A 22 36.938 36.014 12.281 1.00 25.96 O ATOM 351 CB TYR A 22 34.561 33.981 11.723 1.00 27.09 C ATOM 352 CG TYR A 22 33.438 33.312 10.938 1.00 27.40 C ATOM 353 CD1 TYR A 22 32.238 33.993 10.667 1.00 26.95 C ATOM 354 CD2 TYR A 22 33.603 31.996 10.480 1.00 25.13 C ATOM 355 CE1 TYR A 22 31.220 33.360 9.943 1.00 26.07 C ATOM 356 CE2 TYR A 22 32.581 31.367 9.759 1.00 24.89 C ATOM 357 CZ TYR A 22 31.392 32.050 9.489 1.00 24.53 C ATOM 358 OH TYR A 22 30.386 31.431 8.776 1.00 21.93 O ATOM 0 H TYR A 22 36.284 33.954 9.935 1.00 30.22 H new ATOM 0 HA TYR A 22 34.168 35.807 10.627 1.00 29.11 H new ATOM 0 HB2 TYR A 22 35.402 33.294 11.815 1.00 27.09 H new ATOM 0 HB3 TYR A 22 34.219 34.203 12.734 1.00 27.09 H new ATOM 0 HD1 TYR A 22 32.101 35.005 11.018 1.00 26.95 H new ATOM 0 HD2 TYR A 22 34.522 31.466 10.684 1.00 25.13 H new ATOM 0 HE1 TYR A 22 30.300 33.886 9.735 1.00 26.07 H new ATOM 0 HE2 TYR A 22 32.712 30.353 9.411 1.00 24.89 H new ATOM 0 HH TYR A 22 29.532 31.554 9.241 1.00 21.93 H new ATOM 368 N PRO A 23 35.030 37.066 12.740 1.00 25.95 N ATOM 369 CA PRO A 23 35.634 37.940 13.769 1.00 26.49 C ATOM 370 C PRO A 23 36.337 37.093 14.848 1.00 26.35 C ATOM 371 O PRO A 23 36.296 35.882 14.826 1.00 24.48 O ATOM 372 CB PRO A 23 34.448 38.736 14.365 1.00 27.06 C ATOM 373 CG PRO A 23 33.163 38.300 13.606 1.00 29.61 C ATOM 374 CD PRO A 23 33.588 37.290 12.518 1.00 27.83 C ATOM 0 HA PRO A 23 36.395 38.603 13.357 1.00 26.49 H new ATOM 0 HB2 PRO A 23 34.350 38.536 15.432 1.00 27.06 H new ATOM 0 HB3 PRO A 23 34.612 39.808 14.256 1.00 27.06 H new ATOM 0 HG2 PRO A 23 32.448 37.846 14.292 1.00 29.61 H new ATOM 0 HG3 PRO A 23 32.671 39.163 13.157 1.00 29.61 H new ATOM 0 HD2 PRO A 23 33.027 36.359 12.604 1.00 27.83 H new ATOM 0 HD3 PRO A 23 33.400 37.684 11.519 1.00 27.83 H new ATOM 382 N TRP A 24 36.986 37.738 15.781 1.00 23.75 N ATOM 383 CA TRP A 24 37.711 37.001 16.866 1.00 24.21 C ATOM 384 C TRP A 24 36.739 36.535 17.955 1.00 24.68 C ATOM 385 O TRP A 24 37.079 35.713 18.782 1.00 22.18 O ATOM 386 CB TRP A 24 38.754 37.935 17.480 1.00 24.39 C ATOM 387 CG TRP A 24 39.582 37.208 18.497 1.00 26.00 C ATOM 388 CD1 TRP A 24 39.613 37.502 19.817 1.00 27.56 C ATOM 389 CD2 TRP A 24 40.507 36.092 18.307 1.00 24.99 C ATOM 390 NE1 TRP A 24 40.499 36.648 20.448 1.00 24.44 N ATOM 391 CE2 TRP A 24 41.076 35.761 19.561 1.00 27.17 C ATOM 392 CE3 TRP A 24 40.908 35.342 17.184 1.00 27.07 C ATOM 393 CZ2 TRP A 24 42.008 34.730 19.694 1.00 26.88 C ATOM 394 CZ3 TRP A 24 41.843 34.304 17.318 1.00 28.86 C ATOM 395 CH2 TRP A 24 42.394 34.002 18.569 1.00 27.85 C ATOM 0 H TRP A 24 37.047 38.754 15.841 1.00 23.75 H new ATOM 0 HA TRP A 24 38.191 36.121 16.438 1.00 24.21 H new ATOM 0 HB2 TRP A 24 39.399 38.334 16.697 1.00 24.39 H new ATOM 0 HB3 TRP A 24 38.258 38.785 17.948 1.00 24.39 H new ATOM 0 HD1 TRP A 24 39.038 38.278 20.300 1.00 27.56 H new ATOM 0 HE1 TRP A 24 40.702 36.671 21.447 1.00 24.44 H new ATOM 0 HE3 TRP A 24 40.493 35.567 16.213 1.00 27.07 H new ATOM 0 HZ2 TRP A 24 42.427 34.498 20.662 1.00 26.88 H new ATOM 0 HZ3 TRP A 24 42.140 33.734 16.450 1.00 28.86 H new ATOM 0 HH2 TRP A 24 43.118 33.206 18.663 1.00 27.85 H new ATOM 406 N GLU A 25 35.541 37.055 17.983 1.00 21.18 N ATOM 407 CA GLU A 25 34.578 36.633 19.044 1.00 25.10 C ATOM 408 C GLU A 25 33.913 35.301 18.666 1.00 23.53 C ATOM 409 O GLU A 25 33.268 34.683 19.485 1.00 22.15 O ATOM 410 CB GLU A 25 33.503 37.716 19.240 1.00 30.80 C ATOM 411 CG GLU A 25 33.133 38.337 17.890 1.00 38.77 C ATOM 412 CD GLU A 25 31.774 39.035 17.995 1.00 43.31 C ATOM 413 OE1 GLU A 25 31.702 40.051 18.666 1.00 46.36 O ATOM 414 OE2 GLU A 25 30.828 38.540 17.403 1.00 45.94 O ATOM 0 H GLU A 25 35.188 37.748 17.323 1.00 21.18 H new ATOM 0 HA GLU A 25 35.126 36.499 19.977 1.00 25.10 H new ATOM 0 HB2 GLU A 25 32.618 37.282 19.705 1.00 30.80 H new ATOM 0 HB3 GLU A 25 33.871 38.488 19.916 1.00 30.80 H new ATOM 0 HG2 GLU A 25 33.897 39.053 17.587 1.00 38.77 H new ATOM 0 HG3 GLU A 25 33.097 37.565 17.122 1.00 38.77 H new ATOM 421 N LEU A 26 34.042 34.858 17.436 1.00 21.26 N ATOM 422 CA LEU A 26 33.394 33.565 17.034 1.00 20.65 C ATOM 423 C LEU A 26 34.364 32.405 17.213 1.00 20.00 C ATOM 424 O LEU A 26 34.174 31.337 16.665 1.00 16.59 O ATOM 425 CB LEU A 26 32.946 33.634 15.576 1.00 23.25 C ATOM 426 CG LEU A 26 32.181 34.940 15.317 1.00 26.24 C ATOM 427 CD1 LEU A 26 31.410 34.816 14.004 1.00 29.07 C ATOM 428 CD2 LEU A 26 31.186 35.223 16.453 1.00 26.56 C ATOM 0 H LEU A 26 34.563 35.331 16.698 1.00 21.26 H new ATOM 0 HA LEU A 26 32.525 33.403 17.672 1.00 20.65 H new ATOM 0 HB2 LEU A 26 33.813 33.576 14.918 1.00 23.25 H new ATOM 0 HB3 LEU A 26 32.311 32.780 15.342 1.00 23.25 H new ATOM 0 HG LEU A 26 32.898 35.759 15.264 1.00 26.24 H new ATOM 0 HD11 LEU A 26 30.864 35.740 13.814 1.00 29.07 H new ATOM 0 HD12 LEU A 26 32.109 34.633 13.188 1.00 29.07 H new ATOM 0 HD13 LEU A 26 30.706 33.987 14.072 1.00 29.07 H new ATOM 0 HD21 LEU A 26 30.655 36.153 16.249 1.00 26.56 H new ATOM 0 HD22 LEU A 26 30.470 34.404 16.522 1.00 26.56 H new ATOM 0 HD23 LEU A 26 31.726 35.313 17.396 1.00 26.56 H new ATOM 440 N MET A 27 35.386 32.584 17.999 1.00 18.56 N ATOM 441 CA MET A 27 36.325 31.467 18.225 1.00 17.95 C ATOM 442 C MET A 27 35.573 30.290 18.893 1.00 17.26 C ATOM 443 O MET A 27 35.797 29.157 18.518 1.00 15.06 O ATOM 444 CB MET A 27 37.506 31.931 19.109 1.00 20.02 C ATOM 445 CG MET A 27 38.643 32.530 18.267 1.00 18.07 C ATOM 446 SD MET A 27 40.190 32.287 19.162 1.00 11.26 S ATOM 447 CE MET A 27 40.558 30.650 18.504 1.00 20.89 C ATOM 0 H MET A 27 35.606 33.451 18.489 1.00 18.56 H new ATOM 0 HA MET A 27 36.728 31.134 17.269 1.00 17.95 H new ATOM 0 HB2 MET A 27 37.155 32.673 19.826 1.00 20.02 H new ATOM 0 HB3 MET A 27 37.885 31.086 19.684 1.00 20.02 H new ATOM 0 HG2 MET A 27 38.688 32.048 17.290 1.00 18.07 H new ATOM 0 HG3 MET A 27 38.468 33.591 18.091 1.00 18.07 H new ATOM 0 HE1 MET A 27 41.495 30.289 18.928 1.00 20.89 H new ATOM 0 HE2 MET A 27 39.753 29.963 18.766 1.00 20.89 H new ATOM 0 HE3 MET A 27 40.649 30.706 17.419 1.00 20.89 H new ATOM 457 N PRO A 28 34.694 30.561 19.853 1.00 16.29 N ATOM 458 CA PRO A 28 33.939 29.480 20.516 1.00 17.09 C ATOM 459 C PRO A 28 33.125 28.720 19.466 1.00 15.81 C ATOM 460 O PRO A 28 32.934 27.534 19.565 1.00 16.73 O ATOM 461 CB PRO A 28 33.038 30.206 21.547 1.00 16.95 C ATOM 462 CG PRO A 28 33.579 31.651 21.653 1.00 18.75 C ATOM 463 CD PRO A 28 34.372 31.912 20.365 1.00 16.75 C ATOM 0 HA PRO A 28 34.570 28.741 21.009 1.00 17.09 H new ATOM 0 HB2 PRO A 28 31.997 30.203 21.224 1.00 16.95 H new ATOM 0 HB3 PRO A 28 33.073 29.706 22.515 1.00 16.95 H new ATOM 0 HG2 PRO A 28 32.762 32.365 21.758 1.00 18.75 H new ATOM 0 HG3 PRO A 28 34.215 31.764 22.531 1.00 18.75 H new ATOM 0 HD2 PRO A 28 33.784 32.481 19.644 1.00 16.75 H new ATOM 0 HD3 PRO A 28 35.276 32.488 20.564 1.00 16.75 H new ATOM 471 N LEU A 29 32.660 29.391 18.451 1.00 15.35 N ATOM 472 CA LEU A 29 31.878 28.685 17.398 1.00 15.54 C ATOM 473 C LEU A 29 32.840 27.910 16.499 1.00 15.13 C ATOM 474 O LEU A 29 32.714 26.712 16.337 1.00 14.57 O ATOM 475 CB LEU A 29 31.090 29.706 16.580 1.00 15.26 C ATOM 476 CG LEU A 29 30.323 30.634 17.525 1.00 13.96 C ATOM 477 CD1 LEU A 29 29.438 31.562 16.693 1.00 15.02 C ATOM 478 CD2 LEU A 29 29.450 29.799 18.482 1.00 15.96 C ATOM 0 H LEU A 29 32.786 30.393 18.304 1.00 15.35 H new ATOM 0 HA LEU A 29 31.177 27.987 17.856 1.00 15.54 H new ATOM 0 HB2 LEU A 29 31.767 30.286 15.953 1.00 15.26 H new ATOM 0 HB3 LEU A 29 30.396 29.195 15.912 1.00 15.26 H new ATOM 0 HG LEU A 29 31.025 31.224 18.114 1.00 13.96 H new ATOM 0 HD11 LEU A 29 28.886 32.229 17.355 1.00 15.02 H new ATOM 0 HD12 LEU A 29 30.061 32.152 16.021 1.00 15.02 H new ATOM 0 HD13 LEU A 29 28.736 30.968 16.109 1.00 15.02 H new ATOM 0 HD21 LEU A 29 28.906 30.464 19.152 1.00 15.96 H new ATOM 0 HD22 LEU A 29 28.740 29.207 17.904 1.00 15.96 H new ATOM 0 HD23 LEU A 29 30.085 29.134 19.067 1.00 15.96 H new ATOM 490 N MET A 30 33.816 28.565 15.930 1.00 15.06 N ATOM 491 CA MET A 30 34.784 27.829 15.074 1.00 12.45 C ATOM 492 C MET A 30 35.361 26.681 15.902 1.00 12.90 C ATOM 493 O MET A 30 35.735 25.647 15.386 1.00 14.81 O ATOM 494 CB MET A 30 35.924 28.765 14.657 1.00 15.01 C ATOM 495 CG MET A 30 35.444 29.815 13.655 1.00 12.65 C ATOM 496 SD MET A 30 34.817 29.016 12.152 1.00 8.44 S ATOM 497 CE MET A 30 33.076 29.467 12.343 1.00 27.75 C ATOM 0 H MET A 30 33.982 29.567 16.020 1.00 15.06 H new ATOM 0 HA MET A 30 34.286 27.454 14.180 1.00 12.45 H new ATOM 0 HB2 MET A 30 36.331 29.260 15.538 1.00 15.01 H new ATOM 0 HB3 MET A 30 36.733 28.182 14.216 1.00 15.01 H new ATOM 0 HG2 MET A 30 34.660 30.424 14.105 1.00 12.65 H new ATOM 0 HG3 MET A 30 36.264 30.487 13.402 1.00 12.65 H new ATOM 0 HE1 MET A 30 32.521 29.159 11.457 1.00 27.75 H new ATOM 0 HE2 MET A 30 32.665 28.968 13.220 1.00 27.75 H new ATOM 0 HE3 MET A 30 32.991 30.547 12.467 1.00 27.75 H new ATOM 507 N TYR A 31 35.430 26.869 17.192 1.00 13.07 N ATOM 508 CA TYR A 31 35.976 25.809 18.084 1.00 15.35 C ATOM 509 C TYR A 31 35.034 24.598 18.087 1.00 16.32 C ATOM 510 O TYR A 31 35.442 23.481 17.836 1.00 15.86 O ATOM 511 CB TYR A 31 36.101 26.366 19.507 1.00 14.82 C ATOM 512 CG TYR A 31 36.457 25.252 20.463 1.00 17.46 C ATOM 513 CD1 TYR A 31 35.446 24.439 20.991 1.00 20.04 C ATOM 514 CD2 TYR A 31 37.793 25.034 20.827 1.00 19.91 C ATOM 515 CE1 TYR A 31 35.765 23.410 21.880 1.00 21.64 C ATOM 516 CE2 TYR A 31 38.111 24.001 21.714 1.00 22.38 C ATOM 517 CZ TYR A 31 37.098 23.189 22.242 1.00 23.93 C ATOM 518 OH TYR A 31 37.415 22.173 23.120 1.00 30.09 O ATOM 0 H TYR A 31 35.129 27.719 17.669 1.00 13.07 H new ATOM 0 HA TYR A 31 36.956 25.497 17.723 1.00 15.35 H new ATOM 0 HB2 TYR A 31 36.866 27.142 19.538 1.00 14.82 H new ATOM 0 HB3 TYR A 31 35.163 26.831 19.809 1.00 14.82 H new ATOM 0 HD1 TYR A 31 34.417 24.608 20.710 1.00 20.04 H new ATOM 0 HD2 TYR A 31 38.574 25.662 20.424 1.00 19.91 H new ATOM 0 HE1 TYR A 31 34.983 22.786 22.287 1.00 21.64 H new ATOM 0 HE2 TYR A 31 39.140 23.828 21.993 1.00 22.38 H new ATOM 0 HH TYR A 31 38.384 22.156 23.264 1.00 30.09 H new ATOM 528 N VAL A 32 33.780 24.810 18.385 1.00 16.31 N ATOM 529 CA VAL A 32 32.812 23.674 18.422 1.00 13.79 C ATOM 530 C VAL A 32 32.741 22.991 17.055 1.00 15.33 C ATOM 531 O VAL A 32 32.868 21.788 16.950 1.00 15.78 O ATOM 532 CB VAL A 32 31.425 24.200 18.790 1.00 15.68 C ATOM 533 CG1 VAL A 32 30.442 23.033 18.849 1.00 14.40 C ATOM 534 CG2 VAL A 32 31.477 24.890 20.156 1.00 13.96 C ATOM 0 H VAL A 32 33.383 25.723 18.605 1.00 16.31 H new ATOM 0 HA VAL A 32 33.147 22.951 19.166 1.00 13.79 H new ATOM 0 HB VAL A 32 31.100 24.918 18.037 1.00 15.68 H new ATOM 0 HG11 VAL A 32 29.451 23.405 19.111 1.00 14.40 H new ATOM 0 HG12 VAL A 32 30.400 22.543 17.876 1.00 14.40 H new ATOM 0 HG13 VAL A 32 30.772 22.317 19.602 1.00 14.40 H new ATOM 0 HG21 VAL A 32 30.486 25.263 20.413 1.00 13.96 H new ATOM 0 HG22 VAL A 32 31.803 24.176 20.912 1.00 13.96 H new ATOM 0 HG23 VAL A 32 32.179 25.723 20.116 1.00 13.96 H new ATOM 544 N ILE A 33 32.527 23.744 16.010 1.00 13.65 N ATOM 545 CA ILE A 33 32.437 23.137 14.650 1.00 13.17 C ATOM 546 C ILE A 33 33.553 22.095 14.466 1.00 15.24 C ATOM 547 O ILE A 33 33.304 20.948 14.150 1.00 15.62 O ATOM 548 CB ILE A 33 32.555 24.271 13.618 1.00 15.80 C ATOM 549 CG1 ILE A 33 31.220 25.049 13.597 1.00 14.63 C ATOM 550 CG2 ILE A 33 32.848 23.696 12.229 1.00 15.09 C ATOM 551 CD1 ILE A 33 31.362 26.399 12.874 1.00 15.66 C ATOM 0 H ILE A 33 32.410 24.757 16.039 1.00 13.65 H new ATOM 0 HA ILE A 33 31.485 22.622 14.517 1.00 13.17 H new ATOM 0 HB ILE A 33 33.374 24.937 13.891 1.00 15.80 H new ATOM 0 HG12 ILE A 33 30.457 24.449 13.102 1.00 14.63 H new ATOM 0 HG13 ILE A 33 30.880 25.217 14.619 1.00 14.63 H new ATOM 0 HG21 ILE A 33 32.929 24.510 11.508 1.00 15.09 H new ATOM 0 HG22 ILE A 33 33.785 23.140 12.256 1.00 15.09 H new ATOM 0 HG23 ILE A 33 32.039 23.029 11.933 1.00 15.09 H new ATOM 0 HD11 ILE A 33 30.403 26.917 12.879 1.00 15.66 H new ATOM 0 HD12 ILE A 33 32.107 27.009 13.385 1.00 15.66 H new ATOM 0 HD13 ILE A 33 31.677 26.229 11.844 1.00 15.66 H new ATOM 563 N LEU A 34 34.771 22.486 14.682 1.00 16.71 N ATOM 564 CA LEU A 34 35.923 21.542 14.550 1.00 19.71 C ATOM 565 C LEU A 34 35.712 20.350 15.506 1.00 20.61 C ATOM 566 O LEU A 34 35.930 19.210 15.146 1.00 22.08 O ATOM 567 CB LEU A 34 37.210 22.332 14.943 1.00 19.59 C ATOM 568 CG LEU A 34 38.190 22.718 13.757 1.00 26.84 C ATOM 569 CD1 LEU A 34 37.675 22.386 12.349 1.00 24.93 C ATOM 570 CD2 LEU A 34 38.488 24.229 13.807 1.00 27.25 C ATOM 0 H LEU A 34 35.029 23.436 14.950 1.00 16.71 H new ATOM 0 HA LEU A 34 36.010 21.156 13.534 1.00 19.71 H new ATOM 0 HB2 LEU A 34 36.907 23.249 15.448 1.00 19.59 H new ATOM 0 HB3 LEU A 34 37.768 21.738 15.667 1.00 19.59 H new ATOM 0 HG LEU A 34 39.079 22.108 13.917 1.00 26.84 H new ATOM 0 HD11 LEU A 34 38.417 22.688 11.610 1.00 24.93 H new ATOM 0 HD12 LEU A 34 37.499 21.313 12.269 1.00 24.93 H new ATOM 0 HD13 LEU A 34 36.743 22.921 12.167 1.00 24.93 H new ATOM 0 HD21 LEU A 34 39.161 24.494 12.992 1.00 27.25 H new ATOM 0 HD22 LEU A 34 37.557 24.787 13.705 1.00 27.25 H new ATOM 0 HD23 LEU A 34 38.956 24.476 14.760 1.00 27.25 H new ATOM 582 N LYS A 35 35.307 20.607 16.717 1.00 19.14 N ATOM 583 CA LYS A 35 35.101 19.491 17.695 1.00 20.97 C ATOM 584 C LYS A 35 34.271 18.387 17.053 1.00 22.25 C ATOM 585 O LYS A 35 34.409 17.223 17.372 1.00 22.80 O ATOM 586 CB LYS A 35 34.358 20.017 18.930 1.00 22.98 C ATOM 587 CG LYS A 35 34.353 18.943 20.019 1.00 26.83 C ATOM 588 CD LYS A 35 33.553 19.440 21.225 1.00 29.91 C ATOM 589 CE LYS A 35 33.485 18.336 22.283 1.00 33.36 C ATOM 590 NZ LYS A 35 32.584 18.763 23.390 1.00 35.88 N ATOM 0 H LYS A 35 35.108 21.540 17.077 1.00 19.14 H new ATOM 0 HA LYS A 35 36.073 19.095 17.989 1.00 20.97 H new ATOM 0 HB2 LYS A 35 34.840 20.922 19.299 1.00 22.98 H new ATOM 0 HB3 LYS A 35 33.335 20.286 18.665 1.00 22.98 H new ATOM 0 HG2 LYS A 35 33.915 18.022 19.634 1.00 26.83 H new ATOM 0 HG3 LYS A 35 35.375 18.709 20.319 1.00 26.83 H new ATOM 0 HD2 LYS A 35 34.021 20.331 21.643 1.00 29.91 H new ATOM 0 HD3 LYS A 35 32.547 19.724 20.916 1.00 29.91 H new ATOM 0 HE2 LYS A 35 33.117 17.412 21.837 1.00 33.36 H new ATOM 0 HE3 LYS A 35 34.482 18.128 22.671 1.00 33.36 H new ATOM 0 HZ1 LYS A 35 32.538 18.013 24.109 1.00 35.88 H new ATOM 0 HZ2 LYS A 35 32.953 19.634 23.822 1.00 35.88 H new ATOM 0 HZ3 LYS A 35 31.631 18.940 23.013 1.00 35.88 H new ATOM 604 N ASP A 36 33.395 18.748 16.168 1.00 20.87 N ATOM 605 CA ASP A 36 32.526 17.739 15.512 1.00 18.89 C ATOM 606 C ASP A 36 33.207 17.165 14.271 1.00 17.97 C ATOM 607 O ASP A 36 33.194 15.974 14.034 1.00 19.23 O ATOM 608 CB ASP A 36 31.233 18.434 15.112 1.00 16.73 C ATOM 609 CG ASP A 36 30.777 19.322 16.272 1.00 19.06 C ATOM 610 OD1 ASP A 36 30.582 18.794 17.354 1.00 17.75 O ATOM 611 OD2 ASP A 36 30.630 20.514 16.058 1.00 14.84 O ATOM 0 H ASP A 36 33.241 19.710 15.866 1.00 20.87 H new ATOM 0 HA ASP A 36 32.330 16.915 16.198 1.00 18.89 H new ATOM 0 HB2 ASP A 36 31.388 19.033 14.215 1.00 16.73 H new ATOM 0 HB3 ASP A 36 30.465 17.697 14.875 1.00 16.73 H new ATOM 616 N ALA A 37 33.779 18.011 13.468 1.00 19.53 N ATOM 617 CA ALA A 37 34.438 17.536 12.222 1.00 20.29 C ATOM 618 C ALA A 37 35.802 16.935 12.535 1.00 23.93 C ATOM 619 O ALA A 37 36.744 17.092 11.784 1.00 23.82 O ATOM 620 CB ALA A 37 34.616 18.719 11.284 1.00 19.16 C ATOM 0 H ALA A 37 33.820 19.019 13.621 1.00 19.53 H new ATOM 0 HA ALA A 37 33.817 16.770 11.758 1.00 20.29 H new ATOM 0 HB1 ALA A 37 35.098 18.385 10.365 1.00 19.16 H new ATOM 0 HB2 ALA A 37 33.641 19.146 11.048 1.00 19.16 H new ATOM 0 HB3 ALA A 37 35.236 19.475 11.766 1.00 19.16 H new ATOM 626 N ASP A 38 35.931 16.257 13.634 1.00 25.04 N ATOM 627 CA ASP A 38 37.250 15.670 13.969 1.00 29.02 C ATOM 628 C ASP A 38 38.288 16.792 13.961 1.00 30.09 C ATOM 629 O ASP A 38 39.479 16.558 13.992 1.00 29.56 O ATOM 630 CB ASP A 38 37.613 14.607 12.922 1.00 31.78 C ATOM 631 CG ASP A 38 38.649 13.639 13.500 1.00 34.21 C ATOM 632 OD1 ASP A 38 38.333 12.976 14.474 1.00 39.08 O ATOM 633 OD2 ASP A 38 39.741 13.579 12.958 1.00 37.98 O ATOM 0 H ASP A 38 35.187 16.085 14.310 1.00 25.04 H new ATOM 0 HA ASP A 38 37.223 15.199 14.952 1.00 29.02 H new ATOM 0 HB2 ASP A 38 36.719 14.060 12.621 1.00 31.78 H new ATOM 0 HB3 ASP A 38 38.010 15.086 12.027 1.00 31.78 H new ATOM 638 N ALA A 39 37.824 18.011 13.917 1.00 30.33 N ATOM 639 CA ALA A 39 38.741 19.179 13.905 1.00 32.12 C ATOM 640 C ALA A 39 39.394 19.317 12.523 1.00 33.86 C ATOM 641 O ALA A 39 40.345 20.053 12.348 1.00 34.96 O ATOM 642 CB ALA A 39 39.804 19.001 14.993 1.00 32.67 C ATOM 0 H ALA A 39 36.832 18.247 13.888 1.00 30.33 H new ATOM 0 HA ALA A 39 38.178 20.090 14.109 1.00 32.12 H new ATOM 0 HB1 ALA A 39 40.479 19.857 14.986 1.00 32.67 H new ATOM 0 HB2 ALA A 39 39.319 18.928 15.967 1.00 32.67 H new ATOM 0 HB3 ALA A 39 40.372 18.090 14.802 1.00 32.67 H new ATOM 648 N ASN A 40 38.883 18.625 11.536 1.00 33.92 N ATOM 649 CA ASN A 40 39.466 18.729 10.164 1.00 34.20 C ATOM 650 C ASN A 40 38.787 19.883 9.421 1.00 34.98 C ATOM 651 O ASN A 40 37.632 19.806 9.054 1.00 32.10 O ATOM 652 CB ASN A 40 39.231 17.421 9.405 1.00 33.87 C ATOM 653 CG ASN A 40 40.136 16.328 9.978 1.00 32.69 C ATOM 654 OD1 ASN A 40 40.244 16.181 11.179 1.00 34.27 O ATOM 655 ND2 ASN A 40 40.795 15.550 9.163 1.00 33.64 N ATOM 0 H ASN A 40 38.087 17.993 11.621 1.00 33.92 H new ATOM 0 HA ASN A 40 40.538 18.914 10.232 1.00 34.20 H new ATOM 0 HB2 ASN A 40 38.186 17.123 9.488 1.00 33.87 H new ATOM 0 HB3 ASN A 40 39.439 17.561 8.344 1.00 33.87 H new ATOM 0 HD21 ASN A 40 41.401 14.818 9.535 1.00 33.64 H new ATOM 0 HD22 ASN A 40 40.704 15.674 8.155 1.00 33.64 H new ATOM 662 N ILE A 41 39.496 20.959 9.210 1.00 35.49 N ATOM 663 CA ILE A 41 38.897 22.131 8.507 1.00 37.55 C ATOM 664 C ILE A 41 38.250 21.690 7.194 1.00 36.60 C ATOM 665 O ILE A 41 37.081 21.925 6.965 1.00 34.64 O ATOM 666 CB ILE A 41 39.998 23.168 8.232 1.00 39.67 C ATOM 667 CG1 ILE A 41 40.452 23.726 9.599 1.00 42.22 C ATOM 668 CG2 ILE A 41 39.469 24.295 7.287 1.00 40.78 C ATOM 669 CD1 ILE A 41 41.460 24.879 9.457 1.00 44.19 C ATOM 0 H ILE A 41 40.468 21.078 9.495 1.00 35.49 H new ATOM 0 HA ILE A 41 38.126 22.575 9.136 1.00 37.55 H new ATOM 0 HB ILE A 41 40.846 22.713 7.720 1.00 39.67 H new ATOM 0 HG12 ILE A 41 39.581 24.075 10.153 1.00 42.22 H new ATOM 0 HG13 ILE A 41 40.902 22.924 10.184 1.00 42.22 H new ATOM 0 HG21 ILE A 41 40.263 25.019 7.104 1.00 40.78 H new ATOM 0 HG22 ILE A 41 39.152 23.857 6.340 1.00 40.78 H new ATOM 0 HG23 ILE A 41 38.622 24.796 7.756 1.00 40.78 H new ATOM 0 HD11 ILE A 41 41.747 25.235 10.446 1.00 44.19 H new ATOM 0 HD12 ILE A 41 42.345 24.526 8.928 1.00 44.19 H new ATOM 0 HD13 ILE A 41 41.003 25.694 8.896 1.00 44.19 H new ATOM 681 N GLU A 42 38.994 21.068 6.325 1.00 37.01 N ATOM 682 CA GLU A 42 38.405 20.633 5.026 1.00 36.07 C ATOM 683 C GLU A 42 37.068 19.934 5.274 1.00 33.02 C ATOM 684 O GLU A 42 36.140 20.060 4.502 1.00 31.66 O ATOM 685 CB GLU A 42 39.367 19.672 4.325 1.00 40.46 C ATOM 686 CG GLU A 42 40.724 20.356 4.141 1.00 45.44 C ATOM 687 CD GLU A 42 41.692 19.398 3.443 1.00 49.08 C ATOM 688 OE1 GLU A 42 41.329 18.247 3.262 1.00 51.71 O ATOM 689 OE2 GLU A 42 42.779 19.832 3.101 1.00 50.84 O ATOM 0 H GLU A 42 39.980 20.842 6.455 1.00 37.01 H new ATOM 0 HA GLU A 42 38.241 21.506 4.394 1.00 36.07 H new ATOM 0 HB2 GLU A 42 39.483 18.762 4.914 1.00 40.46 H new ATOM 0 HB3 GLU A 42 38.962 19.376 3.357 1.00 40.46 H new ATOM 0 HG2 GLU A 42 40.607 21.265 3.551 1.00 45.44 H new ATOM 0 HG3 GLU A 42 41.126 20.654 5.109 1.00 45.44 H new ATOM 696 N GLU A 43 36.956 19.208 6.351 1.00 29.75 N ATOM 697 CA GLU A 43 35.671 18.512 6.653 1.00 27.99 C ATOM 698 C GLU A 43 34.760 19.469 7.422 1.00 25.26 C ATOM 699 O GLU A 43 33.560 19.486 7.233 1.00 22.77 O ATOM 700 CB GLU A 43 35.948 17.271 7.510 1.00 30.94 C ATOM 701 CG GLU A 43 34.735 16.335 7.474 1.00 33.24 C ATOM 702 CD GLU A 43 34.716 15.563 6.152 1.00 37.98 C ATOM 703 OE1 GLU A 43 35.473 15.925 5.266 1.00 43.17 O ATOM 704 OE2 GLU A 43 33.946 14.624 6.048 1.00 38.40 O ATOM 0 H GLU A 43 37.698 19.066 7.036 1.00 29.75 H new ATOM 0 HA GLU A 43 35.189 18.206 5.724 1.00 27.99 H new ATOM 0 HB2 GLU A 43 36.831 16.751 7.139 1.00 30.94 H new ATOM 0 HB3 GLU A 43 36.160 17.567 8.537 1.00 30.94 H new ATOM 0 HG2 GLU A 43 34.776 15.639 8.312 1.00 33.24 H new ATOM 0 HG3 GLU A 43 33.816 16.911 7.583 1.00 33.24 H new ATOM 711 N ALA A 44 35.322 20.269 8.288 1.00 22.98 N ATOM 712 CA ALA A 44 34.488 21.224 9.066 1.00 23.88 C ATOM 713 C ALA A 44 33.999 22.339 8.133 1.00 22.87 C ATOM 714 O ALA A 44 32.896 22.828 8.260 1.00 22.85 O ATOM 715 CB ALA A 44 35.319 21.799 10.234 1.00 22.28 C ATOM 0 H ALA A 44 36.322 20.301 8.489 1.00 22.98 H new ATOM 0 HA ALA A 44 33.619 20.715 9.484 1.00 23.88 H new ATOM 0 HB1 ALA A 44 34.709 22.499 10.805 1.00 22.28 H new ATOM 0 HB2 ALA A 44 35.643 20.987 10.884 1.00 22.28 H new ATOM 0 HB3 ALA A 44 36.192 22.318 9.838 1.00 22.28 H new ATOM 721 N SER A 45 34.813 22.736 7.197 1.00 25.55 N ATOM 722 CA SER A 45 34.402 23.813 6.253 1.00 26.34 C ATOM 723 C SER A 45 33.196 23.352 5.434 1.00 26.21 C ATOM 724 O SER A 45 32.233 24.074 5.267 1.00 23.95 O ATOM 725 CB SER A 45 35.562 24.127 5.311 1.00 29.82 C ATOM 726 OG SER A 45 35.598 23.158 4.267 1.00 33.07 O ATOM 0 H SER A 45 35.749 22.360 7.044 1.00 25.55 H new ATOM 0 HA SER A 45 34.133 24.705 6.819 1.00 26.34 H new ATOM 0 HB2 SER A 45 35.444 25.126 4.891 1.00 29.82 H new ATOM 0 HB3 SER A 45 36.503 24.121 5.861 1.00 29.82 H new ATOM 0 HG SER A 45 35.823 22.281 4.642 1.00 33.07 H new ATOM 732 N ARG A 46 33.244 22.158 4.913 1.00 26.25 N ATOM 733 CA ARG A 46 32.103 21.657 4.098 1.00 26.19 C ATOM 734 C ARG A 46 30.798 21.843 4.873 1.00 24.78 C ATOM 735 O ARG A 46 29.755 22.082 4.298 1.00 20.51 O ATOM 736 CB ARG A 46 32.320 20.175 3.779 1.00 30.93 C ATOM 737 CG ARG A 46 33.368 20.036 2.669 1.00 37.66 C ATOM 738 CD ARG A 46 33.443 18.576 2.214 1.00 43.41 C ATOM 739 NE ARG A 46 33.216 17.676 3.378 1.00 47.39 N ATOM 740 CZ ARG A 46 32.922 16.420 3.182 1.00 49.82 C ATOM 741 NH1 ARG A 46 32.828 15.954 1.967 1.00 51.10 N ATOM 742 NH2 ARG A 46 32.721 15.630 4.201 1.00 51.02 N ATOM 0 H ARG A 46 34.023 21.508 5.016 1.00 26.25 H new ATOM 0 HA ARG A 46 32.043 22.219 3.166 1.00 26.19 H new ATOM 0 HB2 ARG A 46 32.649 19.645 4.673 1.00 30.93 H new ATOM 0 HB3 ARG A 46 31.381 19.719 3.466 1.00 30.93 H new ATOM 0 HG2 ARG A 46 33.108 20.677 1.827 1.00 37.66 H new ATOM 0 HG3 ARG A 46 34.342 20.365 3.031 1.00 37.66 H new ATOM 0 HD2 ARG A 46 32.695 18.386 1.444 1.00 43.41 H new ATOM 0 HD3 ARG A 46 34.417 18.373 1.769 1.00 43.41 H new ATOM 0 HE ARG A 46 33.290 18.041 4.328 1.00 47.39 H new ATOM 0 HH11 ARG A 46 32.984 16.572 1.170 1.00 51.10 H new ATOM 0 HH12 ARG A 46 32.598 14.972 1.814 1.00 51.10 H new ATOM 0 HH21 ARG A 46 32.794 15.994 5.151 1.00 51.02 H new ATOM 0 HH22 ARG A 46 32.491 14.648 4.048 1.00 51.02 H new ATOM 756 N ARG A 47 30.844 21.752 6.174 1.00 20.40 N ATOM 757 CA ARG A 47 29.599 21.943 6.970 1.00 20.79 C ATOM 758 C ARG A 47 29.231 23.422 6.942 1.00 20.46 C ATOM 759 O ARG A 47 28.181 23.804 6.464 1.00 20.27 O ATOM 760 CB ARG A 47 29.834 21.494 8.415 1.00 18.12 C ATOM 761 CG ARG A 47 30.451 20.093 8.420 1.00 19.83 C ATOM 762 CD ARG A 47 30.676 19.623 9.863 1.00 24.63 C ATOM 763 NE ARG A 47 30.743 18.135 9.889 1.00 25.15 N ATOM 764 CZ ARG A 47 31.199 17.523 10.945 1.00 28.72 C ATOM 765 NH1 ARG A 47 31.578 18.214 11.982 1.00 25.84 N ATOM 766 NH2 ARG A 47 31.274 16.221 10.965 1.00 22.33 N ATOM 0 H ARG A 47 31.684 21.555 6.717 1.00 20.40 H new ATOM 0 HA ARG A 47 28.789 21.349 6.547 1.00 20.79 H new ATOM 0 HB2 ARG A 47 30.496 22.196 8.922 1.00 18.12 H new ATOM 0 HB3 ARG A 47 28.892 21.490 8.964 1.00 18.12 H new ATOM 0 HG2 ARG A 47 29.794 19.396 7.900 1.00 19.83 H new ATOM 0 HG3 ARG A 47 31.398 20.102 7.880 1.00 19.83 H new ATOM 0 HD2 ARG A 47 31.600 20.047 10.256 1.00 24.63 H new ATOM 0 HD3 ARG A 47 29.866 19.974 10.503 1.00 24.63 H new ATOM 0 HE ARG A 47 30.432 17.596 9.081 1.00 25.15 H new ATOM 0 HH11 ARG A 47 31.517 19.232 11.966 1.00 25.84 H new ATOM 0 HH12 ARG A 47 31.935 17.737 12.810 1.00 25.84 H new ATOM 0 HH21 ARG A 47 30.975 15.680 10.153 1.00 22.33 H new ATOM 0 HH22 ARG A 47 31.631 15.743 11.792 1.00 22.33 H new ATOM 780 N ILE A 48 30.105 24.260 7.423 1.00 19.14 N ATOM 781 CA ILE A 48 29.834 25.727 7.398 1.00 21.78 C ATOM 782 C ILE A 48 29.362 26.096 6.003 1.00 25.27 C ATOM 783 O ILE A 48 28.291 26.633 5.810 1.00 23.94 O ATOM 784 CB ILE A 48 31.124 26.474 7.715 1.00 20.97 C ATOM 785 CG1 ILE A 48 31.688 25.917 9.021 1.00 21.08 C ATOM 786 CG2 ILE A 48 30.817 27.967 7.857 1.00 21.08 C ATOM 787 CD1 ILE A 48 32.914 26.724 9.474 1.00 19.82 C ATOM 0 H ILE A 48 30.999 23.993 7.834 1.00 19.14 H new ATOM 0 HA ILE A 48 29.074 25.992 8.133 1.00 21.78 H new ATOM 0 HB ILE A 48 31.855 26.344 6.917 1.00 20.97 H new ATOM 0 HG12 ILE A 48 30.921 25.946 9.795 1.00 21.08 H new ATOM 0 HG13 ILE A 48 31.965 24.871 8.886 1.00 21.08 H new ATOM 0 HG21 ILE A 48 31.736 28.507 8.084 1.00 21.08 H new ATOM 0 HG22 ILE A 48 30.396 28.342 6.924 1.00 21.08 H new ATOM 0 HG23 ILE A 48 30.100 28.116 8.664 1.00 21.08 H new ATOM 0 HD11 ILE A 48 33.299 26.309 10.406 1.00 19.82 H new ATOM 0 HD12 ILE A 48 33.687 26.672 8.707 1.00 19.82 H new ATOM 0 HD13 ILE A 48 32.627 27.764 9.631 1.00 19.82 H new ATOM 799 N GLU A 49 30.156 25.777 5.028 1.00 26.87 N ATOM 800 CA GLU A 49 29.786 26.068 3.618 1.00 31.21 C ATOM 801 C GLU A 49 28.336 25.681 3.378 1.00 31.88 C ATOM 802 O GLU A 49 27.498 26.507 3.074 1.00 31.73 O ATOM 803 CB GLU A 49 30.636 25.193 2.716 1.00 32.85 C ATOM 804 CG GLU A 49 32.048 25.768 2.579 1.00 36.76 C ATOM 805 CD GLU A 49 32.775 25.066 1.430 1.00 40.40 C ATOM 806 OE1 GLU A 49 32.188 24.950 0.367 1.00 40.28 O ATOM 807 OE2 GLU A 49 33.906 24.657 1.633 1.00 43.41 O ATOM 0 H GLU A 49 31.060 25.320 5.148 1.00 26.87 H new ATOM 0 HA GLU A 49 29.936 27.129 3.416 1.00 31.21 H new ATOM 0 HB2 GLU A 49 30.687 24.183 3.124 1.00 32.85 H new ATOM 0 HB3 GLU A 49 30.172 25.117 1.733 1.00 32.85 H new ATOM 0 HG2 GLU A 49 31.999 26.841 2.391 1.00 36.76 H new ATOM 0 HG3 GLU A 49 32.599 25.632 3.509 1.00 36.76 H new ATOM 814 N GLU A 50 28.035 24.418 3.529 1.00 32.05 N ATOM 815 CA GLU A 50 26.639 23.965 3.329 1.00 30.33 C ATOM 816 C GLU A 50 25.775 24.873 4.173 1.00 29.99 C ATOM 817 O GLU A 50 24.768 25.358 3.749 1.00 26.76 O ATOM 818 CB GLU A 50 26.510 22.499 3.790 1.00 33.38 C ATOM 819 CG GLU A 50 25.389 21.794 3.018 1.00 33.45 C ATOM 820 CD GLU A 50 25.350 20.316 3.413 1.00 36.89 C ATOM 821 OE1 GLU A 50 25.064 20.039 4.566 1.00 35.55 O ATOM 822 OE2 GLU A 50 25.607 19.487 2.556 1.00 36.13 O ATOM 0 H GLU A 50 28.699 23.686 3.782 1.00 32.05 H new ATOM 0 HA GLU A 50 26.336 24.011 2.283 1.00 30.33 H new ATOM 0 HB2 GLU A 50 27.454 21.977 3.632 1.00 33.38 H new ATOM 0 HB3 GLU A 50 26.302 22.464 4.859 1.00 33.38 H new ATOM 0 HG2 GLU A 50 24.431 22.265 3.236 1.00 33.45 H new ATOM 0 HG3 GLU A 50 25.555 21.891 1.945 1.00 33.45 H new ATOM 829 N GLY A 51 26.227 25.135 5.354 1.00 0.00 N ATOM 830 CA GLY A 51 25.495 26.037 6.275 1.00 0.00 C ATOM 831 C GLY A 51 25.283 27.410 5.620 1.00 0.00 C ATOM 832 O GLY A 51 24.178 27.872 5.434 1.00 0.00 O ATOM 0 H GLY A 51 27.094 24.754 5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 51 24.532 25.598 6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 51 26.054 26.152 7.203 1.00 0.00 H new ATOM 836 N GLN A 52 26.353 28.078 5.279 1.00 29.60 N ATOM 837 CA GLN A 52 26.227 29.427 4.644 1.00 32.81 C ATOM 838 C GLN A 52 25.226 29.324 3.509 1.00 33.63 C ATOM 839 O GLN A 52 24.285 30.083 3.404 1.00 32.37 O ATOM 840 CB GLN A 52 27.578 29.862 4.064 1.00 32.81 C ATOM 841 CG GLN A 52 28.692 29.726 5.121 1.00 34.44 C ATOM 842 CD GLN A 52 28.868 31.036 5.893 1.00 35.84 C ATOM 843 OE1 GLN A 52 27.924 31.775 6.090 1.00 36.29 O ATOM 844 NE2 GLN A 52 30.053 31.351 6.339 1.00 38.34 N ATOM 0 H GLN A 52 27.310 27.750 5.412 1.00 29.60 H new ATOM 0 HA GLN A 52 25.903 30.154 5.389 1.00 32.81 H new ATOM 0 HB2 GLN A 52 27.819 29.252 3.193 1.00 32.81 H new ATOM 0 HB3 GLN A 52 27.517 30.895 3.723 1.00 32.81 H new ATOM 0 HG2 GLN A 52 28.447 28.920 5.813 1.00 34.44 H new ATOM 0 HG3 GLN A 52 29.630 29.455 4.636 1.00 34.44 H new ATOM 0 HE21 GLN A 52 30.843 30.728 6.172 1.00 38.34 H new ATOM 0 HE22 GLN A 52 30.189 32.220 6.855 1.00 38.34 H new ATOM 853 N TYR A 53 25.432 28.363 2.669 1.00 34.79 N ATOM 854 CA TYR A 53 24.514 28.149 1.530 1.00 37.88 C ATOM 855 C TYR A 53 23.151 27.752 2.088 1.00 39.97 C ATOM 856 O TYR A 53 22.128 28.277 1.711 1.00 39.08 O ATOM 857 CB TYR A 53 25.081 27.015 0.664 1.00 39.97 C ATOM 858 CG TYR A 53 23.994 26.422 -0.199 1.00 42.20 C ATOM 859 CD1 TYR A 53 23.116 25.477 0.335 1.00 42.61 C ATOM 860 CD2 TYR A 53 23.870 26.820 -1.525 1.00 42.58 C ATOM 861 CE1 TYR A 53 22.111 24.930 -0.458 1.00 45.45 C ATOM 862 CE2 TYR A 53 22.864 26.274 -2.330 1.00 44.68 C ATOM 863 CZ TYR A 53 21.982 25.327 -1.796 1.00 45.19 C ATOM 864 OH TYR A 53 20.990 24.785 -2.588 1.00 49.10 O ATOM 0 H TYR A 53 26.210 27.705 2.723 1.00 34.79 H new ATOM 0 HA TYR A 53 24.412 29.051 0.926 1.00 37.88 H new ATOM 0 HB2 TYR A 53 25.886 27.396 0.036 1.00 39.97 H new ATOM 0 HB3 TYR A 53 25.511 26.242 1.301 1.00 39.97 H new ATOM 0 HD1 TYR A 53 23.217 25.170 1.365 1.00 42.61 H new ATOM 0 HD2 TYR A 53 24.551 27.552 -1.934 1.00 42.58 H new ATOM 0 HE1 TYR A 53 21.431 24.201 -0.043 1.00 45.45 H new ATOM 0 HE2 TYR A 53 22.768 26.582 -3.361 1.00 44.68 H new ATOM 0 HH TYR A 53 20.346 24.307 -2.025 1.00 49.10 H new ATOM 874 N VAL A 54 23.154 26.821 2.986 1.00 39.04 N ATOM 875 CA VAL A 54 21.890 26.342 3.598 1.00 40.51 C ATOM 876 C VAL A 54 21.083 27.556 4.075 1.00 40.89 C ATOM 877 O VAL A 54 19.995 27.819 3.605 1.00 40.52 O ATOM 878 CB VAL A 54 22.297 25.454 4.776 1.00 40.89 C ATOM 879 CG1 VAL A 54 21.209 25.375 5.820 1.00 41.12 C ATOM 880 CG2 VAL A 54 22.692 24.026 4.309 1.00 40.75 C ATOM 0 H VAL A 54 23.996 26.360 3.331 1.00 39.04 H new ATOM 0 HA VAL A 54 21.270 25.782 2.898 1.00 40.51 H new ATOM 0 HB VAL A 54 23.172 25.921 5.229 1.00 40.89 H new ATOM 0 HG11 VAL A 54 21.537 24.735 6.639 1.00 41.12 H new ATOM 0 HG12 VAL A 54 20.998 26.374 6.202 1.00 41.12 H new ATOM 0 HG13 VAL A 54 20.306 24.959 5.374 1.00 41.12 H new ATOM 0 HG21 VAL A 54 22.975 23.426 5.174 1.00 40.75 H new ATOM 0 HG22 VAL A 54 21.845 23.561 3.805 1.00 40.75 H new ATOM 0 HG23 VAL A 54 23.534 24.089 3.620 1.00 40.75 H new ATOM 890 N VAL A 55 21.620 28.296 5.000 1.00 40.66 N ATOM 891 CA VAL A 55 20.902 29.497 5.507 1.00 41.79 C ATOM 892 C VAL A 55 20.607 30.422 4.326 1.00 43.19 C ATOM 893 O VAL A 55 19.470 30.758 4.057 1.00 42.93 O ATOM 894 CB VAL A 55 21.786 30.216 6.538 1.00 40.93 C ATOM 895 CG1 VAL A 55 21.006 31.368 7.194 1.00 40.61 C ATOM 896 CG2 VAL A 55 22.217 29.212 7.615 1.00 41.17 C ATOM 0 H VAL A 55 22.529 28.121 5.429 1.00 40.66 H new ATOM 0 HA VAL A 55 19.966 29.209 5.986 1.00 41.79 H new ATOM 0 HB VAL A 55 22.663 30.625 6.037 1.00 40.93 H new ATOM 0 HG11 VAL A 55 21.643 31.870 7.923 1.00 40.61 H new ATOM 0 HG12 VAL A 55 20.698 32.081 6.429 1.00 40.61 H new ATOM 0 HG13 VAL A 55 20.124 30.971 7.696 1.00 40.61 H new ATOM 0 HG21 VAL A 55 22.845 29.715 8.351 1.00 41.17 H new ATOM 0 HG22 VAL A 55 21.334 28.806 8.108 1.00 41.17 H new ATOM 0 HG23 VAL A 55 22.779 28.401 7.152 1.00 41.17 H new ATOM 906 N ASN A 56 21.619 30.829 3.612 1.00 43.65 N ATOM 907 CA ASN A 56 21.390 31.723 2.442 1.00 46.57 C ATOM 908 C ASN A 56 20.311 31.107 1.547 1.00 47.19 C ATOM 909 O ASN A 56 19.499 31.802 0.970 1.00 46.87 O ATOM 910 CB ASN A 56 22.690 31.875 1.647 1.00 46.25 C ATOM 911 CG ASN A 56 23.766 32.493 2.539 1.00 46.74 C ATOM 912 OD1 ASN A 56 24.856 32.782 2.087 1.00 46.94 O ATOM 913 ND2 ASN A 56 23.502 32.707 3.797 1.00 47.06 N ATOM 0 H ASN A 56 22.593 30.582 3.787 1.00 43.65 H new ATOM 0 HA ASN A 56 21.066 32.705 2.788 1.00 46.57 H new ATOM 0 HB2 ASN A 56 23.020 30.903 1.281 1.00 46.25 H new ATOM 0 HB3 ASN A 56 22.522 32.504 0.773 1.00 46.25 H new ATOM 0 HD21 ASN A 56 24.211 33.118 4.404 1.00 47.06 H new ATOM 0 HD22 ASN A 56 22.586 32.464 4.174 1.00 47.06 H new ATOM 920 N GLU A 57 20.293 29.805 1.434 1.00 49.43 N ATOM 921 CA GLU A 57 19.262 29.146 0.585 1.00 51.03 C ATOM 922 C GLU A 57 17.892 29.342 1.230 1.00 51.99 C ATOM 923 O GLU A 57 16.969 29.828 0.610 1.00 52.02 O ATOM 924 CB GLU A 57 19.559 27.648 0.472 1.00 52.77 C ATOM 925 CG GLU A 57 18.634 27.003 -0.569 1.00 54.20 C ATOM 926 CD GLU A 57 18.552 25.494 -0.324 1.00 56.33 C ATOM 927 OE1 GLU A 57 17.764 25.092 0.515 1.00 57.66 O ATOM 928 OE2 GLU A 57 19.278 24.766 -0.978 1.00 57.76 O ATOM 0 H GLU A 57 20.948 29.172 1.893 1.00 49.43 H new ATOM 0 HA GLU A 57 19.274 29.588 -0.411 1.00 51.03 H new ATOM 0 HB2 GLU A 57 20.600 27.496 0.188 1.00 52.77 H new ATOM 0 HB3 GLU A 57 19.420 27.168 1.441 1.00 52.77 H new ATOM 0 HG2 GLU A 57 17.640 27.445 -0.509 1.00 54.20 H new ATOM 0 HG3 GLU A 57 19.010 27.198 -1.573 1.00 54.20 H new ATOM 935 N TYR A 58 17.752 28.970 2.474 1.00 53.12 N ATOM 936 CA TYR A 58 16.439 29.145 3.154 1.00 54.13 C ATOM 937 C TYR A 58 15.953 30.568 2.921 1.00 54.38 C ATOM 938 O TYR A 58 14.774 30.847 2.905 1.00 55.12 O ATOM 939 CB TYR A 58 16.599 28.900 4.655 1.00 54.54 C ATOM 940 CG TYR A 58 15.241 28.756 5.286 1.00 55.20 C ATOM 941 CD1 TYR A 58 14.633 27.501 5.322 1.00 55.36 C ATOM 942 CD2 TYR A 58 14.592 29.869 5.833 1.00 55.64 C ATOM 943 CE1 TYR A 58 13.374 27.351 5.904 1.00 55.93 C ATOM 944 CE2 TYR A 58 13.328 29.720 6.418 1.00 56.15 C ATOM 945 CZ TYR A 58 12.719 28.460 6.454 1.00 56.20 C ATOM 946 OH TYR A 58 11.473 28.311 7.029 1.00 58.01 O ATOM 0 H TYR A 58 18.487 28.554 3.046 1.00 53.12 H new ATOM 0 HA TYR A 58 15.717 28.434 2.752 1.00 54.13 H new ATOM 0 HB2 TYR A 58 17.189 28.000 4.827 1.00 54.54 H new ATOM 0 HB3 TYR A 58 17.139 29.728 5.114 1.00 54.54 H new ATOM 0 HD1 TYR A 58 15.137 26.645 4.899 1.00 55.36 H new ATOM 0 HD2 TYR A 58 15.064 30.840 5.804 1.00 55.64 H new ATOM 0 HE1 TYR A 58 12.904 26.379 5.930 1.00 55.93 H new ATOM 0 HE2 TYR A 58 12.824 30.576 6.841 1.00 56.15 H new ATOM 0 HH TYR A 58 11.161 29.178 7.363 1.00 58.01 H new ATOM 1151 N ASP B 7 13.025 23.069 8.966 1.00 55.77 N ATOM 1152 CA ASP B 7 12.449 24.229 9.716 1.00 53.95 C ATOM 1153 C ASP B 7 12.807 24.112 11.197 1.00 52.49 C ATOM 1154 O ASP B 7 13.423 24.991 11.767 1.00 51.89 O ATOM 1155 CB ASP B 7 10.927 24.235 9.557 1.00 54.63 C ATOM 1156 CG ASP B 7 10.374 25.605 9.957 1.00 55.27 C ATOM 1157 OD1 ASP B 7 11.001 26.259 10.774 1.00 55.55 O ATOM 1158 OD2 ASP B 7 9.333 25.975 9.439 1.00 56.33 O ATOM 0 HA ASP B 7 12.860 25.157 9.318 1.00 53.95 H new ATOM 0 HB2 ASP B 7 10.658 24.010 8.525 1.00 54.63 H new ATOM 0 HB3 ASP B 7 10.483 23.457 10.178 1.00 54.63 H new ATOM 1163 N VAL B 8 12.455 23.021 11.821 1.00 50.38 N ATOM 1164 CA VAL B 8 12.811 22.841 13.263 1.00 48.45 C ATOM 1165 C VAL B 8 14.305 23.121 13.399 1.00 46.36 C ATOM 1166 O VAL B 8 14.751 23.856 14.256 1.00 44.84 O ATOM 1167 CB VAL B 8 12.533 21.381 13.708 1.00 48.63 C ATOM 1168 CG1 VAL B 8 11.197 21.300 14.442 1.00 48.83 C ATOM 1169 CG2 VAL B 8 12.500 20.465 12.484 1.00 47.55 C ATOM 0 H VAL B 8 11.939 22.249 11.400 1.00 50.38 H new ATOM 0 HA VAL B 8 12.218 23.513 13.883 1.00 48.45 H new ATOM 0 HB VAL B 8 13.329 21.061 14.380 1.00 48.63 H new ATOM 0 HG11 VAL B 8 11.013 20.271 14.749 1.00 48.83 H new ATOM 0 HG12 VAL B 8 11.226 21.942 15.322 1.00 48.83 H new ATOM 0 HG13 VAL B 8 10.397 21.629 13.779 1.00 48.83 H new ATOM 0 HG21 VAL B 8 12.305 19.441 12.801 1.00 47.55 H new ATOM 0 HG22 VAL B 8 11.711 20.792 11.806 1.00 47.55 H new ATOM 0 HG23 VAL B 8 13.461 20.509 11.971 1.00 47.55 H new ATOM 1179 N PHE B 9 15.073 22.521 12.540 1.00 44.57 N ATOM 1180 CA PHE B 9 16.539 22.720 12.579 1.00 42.68 C ATOM 1181 C PHE B 9 16.836 24.217 12.618 1.00 41.92 C ATOM 1182 O PHE B 9 17.445 24.718 13.543 1.00 40.56 O ATOM 1183 CB PHE B 9 17.171 22.091 11.326 1.00 41.99 C ATOM 1184 CG PHE B 9 18.604 21.754 11.617 1.00 41.32 C ATOM 1185 CD1 PHE B 9 19.582 22.739 11.489 1.00 41.38 C ATOM 1186 CD2 PHE B 9 18.950 20.464 12.028 1.00 41.88 C ATOM 1187 CE1 PHE B 9 20.909 22.437 11.769 1.00 39.40 C ATOM 1188 CE2 PHE B 9 20.281 20.164 12.311 1.00 39.39 C ATOM 1189 CZ PHE B 9 21.258 21.155 12.179 1.00 40.84 C ATOM 0 H PHE B 9 14.742 21.895 11.806 1.00 44.57 H new ATOM 0 HA PHE B 9 16.958 22.245 13.466 1.00 42.68 H new ATOM 0 HB2 PHE B 9 16.624 21.193 11.039 1.00 41.99 H new ATOM 0 HB3 PHE B 9 17.110 22.783 10.486 1.00 41.99 H new ATOM 0 HD1 PHE B 9 19.309 23.735 11.173 1.00 41.38 H new ATOM 0 HD2 PHE B 9 18.190 19.703 12.126 1.00 41.88 H new ATOM 0 HE1 PHE B 9 21.669 23.198 11.668 1.00 39.40 H new ATOM 0 HE2 PHE B 9 20.557 19.170 12.631 1.00 39.39 H new ATOM 0 HZ PHE B 9 22.290 20.924 12.397 1.00 40.84 H new ATOM 1199 N LEU B 10 16.394 24.937 11.629 1.00 41.09 N ATOM 1200 CA LEU B 10 16.636 26.403 11.623 1.00 41.50 C ATOM 1201 C LEU B 10 15.982 26.999 12.863 1.00 41.09 C ATOM 1202 O LEU B 10 16.489 27.923 13.464 1.00 38.55 O ATOM 1203 CB LEU B 10 16.032 27.024 10.365 1.00 42.71 C ATOM 1204 CG LEU B 10 16.474 26.231 9.133 1.00 43.61 C ATOM 1205 CD1 LEU B 10 16.029 26.971 7.879 1.00 44.50 C ATOM 1206 CD2 LEU B 10 18.000 26.091 9.116 1.00 43.61 C ATOM 0 H LEU B 10 15.877 24.576 10.827 1.00 41.09 H new ATOM 0 HA LEU B 10 17.707 26.608 11.629 1.00 41.50 H new ATOM 0 HB2 LEU B 10 14.944 27.027 10.436 1.00 42.71 H new ATOM 0 HB3 LEU B 10 16.348 28.063 10.273 1.00 42.71 H new ATOM 0 HG LEU B 10 16.023 25.239 9.165 1.00 43.61 H new ATOM 0 HD11 LEU B 10 16.341 26.412 6.997 1.00 44.50 H new ATOM 0 HD12 LEU B 10 14.944 27.070 7.881 1.00 44.50 H new ATOM 0 HD13 LEU B 10 16.484 27.961 7.860 1.00 44.50 H new ATOM 0 HD21 LEU B 10 18.304 25.525 8.235 1.00 43.61 H new ATOM 0 HD22 LEU B 10 18.456 27.081 9.086 1.00 43.61 H new ATOM 0 HD23 LEU B 10 18.327 25.567 10.014 1.00 43.61 H new ATOM 1218 N ASP B 11 14.863 26.465 13.265 1.00 41.28 N ATOM 1219 CA ASP B 11 14.197 26.995 14.482 1.00 41.44 C ATOM 1220 C ASP B 11 15.178 26.878 15.648 1.00 39.86 C ATOM 1221 O ASP B 11 15.530 27.861 16.266 1.00 37.26 O ATOM 1222 CB ASP B 11 12.924 26.192 14.780 1.00 44.23 C ATOM 1223 CG ASP B 11 12.012 26.999 15.708 1.00 46.87 C ATOM 1224 OD1 ASP B 11 11.737 28.144 15.387 1.00 49.31 O ATOM 1225 OD2 ASP B 11 11.605 26.459 16.723 1.00 48.41 O ATOM 0 H ASP B 11 14.385 25.690 12.806 1.00 41.28 H new ATOM 0 HA ASP B 11 13.913 28.037 14.332 1.00 41.44 H new ATOM 0 HB2 ASP B 11 12.402 25.961 13.851 1.00 44.23 H new ATOM 0 HB3 ASP B 11 13.183 25.241 15.245 1.00 44.23 H new ATOM 1230 N TYR B 12 15.646 25.686 15.945 1.00 39.23 N ATOM 1231 CA TYR B 12 16.623 25.540 17.067 1.00 38.08 C ATOM 1232 C TYR B 12 17.717 26.576 16.897 1.00 34.01 C ATOM 1233 O TYR B 12 18.064 27.284 17.821 1.00 32.49 O ATOM 1234 CB TYR B 12 17.289 24.162 17.060 1.00 42.28 C ATOM 1235 CG TYR B 12 16.280 23.031 17.127 1.00 47.31 C ATOM 1236 CD1 TYR B 12 15.143 23.101 17.954 1.00 49.49 C ATOM 1237 CD2 TYR B 12 16.508 21.886 16.360 1.00 48.65 C ATOM 1238 CE1 TYR B 12 14.248 22.026 17.999 1.00 50.83 C ATOM 1239 CE2 TYR B 12 15.620 20.819 16.407 1.00 51.34 C ATOM 1240 CZ TYR B 12 14.487 20.882 17.227 1.00 50.67 C ATOM 1241 OH TYR B 12 13.606 19.822 17.270 1.00 52.32 O ATOM 0 H TYR B 12 15.396 24.821 15.465 1.00 39.23 H new ATOM 0 HA TYR B 12 16.080 25.669 18.003 1.00 38.08 H new ATOM 0 HB2 TYR B 12 17.889 24.056 16.156 1.00 42.28 H new ATOM 0 HB3 TYR B 12 17.971 24.087 17.907 1.00 42.28 H new ATOM 0 HD1 TYR B 12 14.962 23.982 18.552 1.00 49.49 H new ATOM 0 HD2 TYR B 12 17.381 21.830 15.726 1.00 48.65 H new ATOM 0 HE1 TYR B 12 13.373 22.079 18.629 1.00 50.83 H new ATOM 0 HE2 TYR B 12 15.804 19.938 15.809 1.00 51.34 H new ATOM 0 HH TYR B 12 13.921 19.111 16.674 1.00 52.32 H new ATOM 1251 N CYS B 13 18.261 26.679 15.716 1.00 32.32 N ATOM 1252 CA CYS B 13 19.324 27.682 15.486 1.00 29.00 C ATOM 1253 C CYS B 13 18.843 29.016 16.038 1.00 29.81 C ATOM 1254 O CYS B 13 19.435 29.568 16.933 1.00 24.62 O ATOM 1255 CB CYS B 13 19.609 27.803 13.989 1.00 28.41 C ATOM 1256 SG CYS B 13 19.788 26.150 13.275 1.00 23.95 S ATOM 0 H CYS B 13 18.013 26.111 14.906 1.00 32.32 H new ATOM 0 HA CYS B 13 20.244 27.381 15.986 1.00 29.00 H new ATOM 0 HB2 CYS B 13 18.798 28.338 13.495 1.00 28.41 H new ATOM 0 HB3 CYS B 13 20.518 28.382 13.826 1.00 28.41 H new ATOM 0 HG CYS B 13 18.625 25.572 13.222 1.00 23.95 H new ATOM 1262 N GLN B 14 17.752 29.518 15.531 1.00 29.76 N ATOM 1263 CA GLN B 14 17.221 30.809 16.044 1.00 32.34 C ATOM 1264 C GLN B 14 17.190 30.775 17.580 1.00 33.14 C ATOM 1265 O GLN B 14 17.584 31.717 18.234 1.00 33.29 O ATOM 1266 CB GLN B 14 15.809 31.045 15.482 1.00 34.56 C ATOM 1267 CG GLN B 14 15.516 32.549 15.408 1.00 39.08 C ATOM 1268 CD GLN B 14 15.386 33.115 16.823 1.00 41.02 C ATOM 1269 OE1 GLN B 14 14.338 33.028 17.432 1.00 42.67 O ATOM 1270 NE2 GLN B 14 16.415 33.696 17.377 1.00 42.20 N ATOM 0 H GLN B 14 17.206 29.089 14.784 1.00 29.76 H new ATOM 0 HA GLN B 14 17.866 31.627 15.723 1.00 32.34 H new ATOM 0 HB2 GLN B 14 15.725 30.601 14.490 1.00 34.56 H new ATOM 0 HB3 GLN B 14 15.070 30.553 16.115 1.00 34.56 H new ATOM 0 HG2 GLN B 14 16.316 33.060 14.873 1.00 39.08 H new ATOM 0 HG3 GLN B 14 14.597 32.724 14.849 1.00 39.08 H new ATOM 0 HE21 GLN B 14 17.295 33.770 16.867 1.00 42.20 H new ATOM 0 HE22 GLN B 14 16.339 34.077 18.320 1.00 42.20 H new ATOM 1279 N LYS B 15 16.751 29.695 18.172 1.00 31.48 N ATOM 1280 CA LYS B 15 16.750 29.641 19.662 1.00 31.70 C ATOM 1281 C LYS B 15 18.212 29.697 20.114 1.00 30.74 C ATOM 1282 O LYS B 15 18.623 30.588 20.824 1.00 30.57 O ATOM 1283 CB LYS B 15 16.101 28.329 20.152 1.00 35.91 C ATOM 1284 CG LYS B 15 14.588 28.506 20.345 1.00 40.53 C ATOM 1285 CD LYS B 15 13.895 28.702 18.989 1.00 42.80 C ATOM 1286 CE LYS B 15 12.404 28.348 19.103 1.00 45.27 C ATOM 1287 NZ LYS B 15 11.644 29.056 18.035 1.00 48.21 N ATOM 0 H LYS B 15 16.399 28.863 17.698 1.00 31.48 H new ATOM 0 HA LYS B 15 16.178 30.472 20.075 1.00 31.70 H new ATOM 0 HB2 LYS B 15 16.289 27.534 19.431 1.00 35.91 H new ATOM 0 HB3 LYS B 15 16.558 28.021 21.092 1.00 35.91 H new ATOM 0 HG2 LYS B 15 14.175 27.632 20.849 1.00 40.53 H new ATOM 0 HG3 LYS B 15 14.395 29.365 20.987 1.00 40.53 H new ATOM 0 HD2 LYS B 15 14.008 29.735 18.660 1.00 42.80 H new ATOM 0 HD3 LYS B 15 14.369 28.074 18.235 1.00 42.80 H new ATOM 0 HE2 LYS B 15 12.267 27.271 19.009 1.00 45.27 H new ATOM 0 HE3 LYS B 15 12.025 28.633 20.084 1.00 45.27 H new ATOM 0 HZ1 LYS B 15 10.681 28.668 17.979 1.00 48.21 H new ATOM 0 HZ2 LYS B 15 11.596 30.071 18.258 1.00 48.21 H new ATOM 0 HZ3 LYS B 15 12.124 28.924 17.122 1.00 48.21 H new ATOM 1301 N LEU B 16 19.014 28.763 19.678 1.00 26.59 N ATOM 1302 CA LEU B 16 20.455 28.786 20.059 1.00 27.03 C ATOM 1303 C LEU B 16 20.988 30.189 19.767 1.00 24.17 C ATOM 1304 O LEU B 16 21.741 30.766 20.527 1.00 23.26 O ATOM 1305 CB LEU B 16 21.204 27.737 19.221 1.00 28.15 C ATOM 1306 CG LEU B 16 22.500 27.297 19.925 1.00 28.00 C ATOM 1307 CD1 LEU B 16 22.180 26.576 21.249 1.00 30.50 C ATOM 1308 CD2 LEU B 16 23.280 26.350 18.992 1.00 26.29 C ATOM 0 H LEU B 16 18.735 27.988 19.077 1.00 26.59 H new ATOM 0 HA LEU B 16 20.594 28.552 21.114 1.00 27.03 H new ATOM 0 HB2 LEU B 16 20.563 26.871 19.056 1.00 28.15 H new ATOM 0 HB3 LEU B 16 21.440 28.150 18.240 1.00 28.15 H new ATOM 0 HG LEU B 16 23.101 28.178 20.150 1.00 28.00 H new ATOM 0 HD11 LEU B 16 23.109 26.273 21.732 1.00 30.50 H new ATOM 0 HD12 LEU B 16 21.632 27.250 21.907 1.00 30.50 H new ATOM 0 HD13 LEU B 16 21.572 25.694 21.046 1.00 30.50 H new ATOM 0 HD21 LEU B 16 24.200 26.033 19.482 1.00 26.29 H new ATOM 0 HD22 LEU B 16 22.669 25.476 18.767 1.00 26.29 H new ATOM 0 HD23 LEU B 16 23.523 26.871 18.066 1.00 26.29 H new ATOM 1320 N LEU B 17 20.555 30.740 18.673 1.00 23.83 N ATOM 1321 CA LEU B 17 20.962 32.118 18.290 1.00 25.91 C ATOM 1322 C LEU B 17 20.461 33.078 19.375 1.00 28.74 C ATOM 1323 O LEU B 17 21.115 34.038 19.730 1.00 29.35 O ATOM 1324 CB LEU B 17 20.296 32.462 16.945 1.00 23.53 C ATOM 1325 CG LEU B 17 21.076 33.565 16.200 1.00 23.31 C ATOM 1326 CD1 LEU B 17 22.173 32.941 15.315 1.00 16.92 C ATOM 1327 CD2 LEU B 17 20.111 34.362 15.306 1.00 19.75 C ATOM 0 H LEU B 17 19.923 30.285 18.014 1.00 23.83 H new ATOM 0 HA LEU B 17 22.045 32.199 18.194 1.00 25.91 H new ATOM 0 HB2 LEU B 17 20.243 31.568 16.324 1.00 23.53 H new ATOM 0 HB3 LEU B 17 19.271 32.791 17.118 1.00 23.53 H new ATOM 0 HG LEU B 17 21.537 34.223 16.936 1.00 23.31 H new ATOM 0 HD11 LEU B 17 22.715 33.731 14.796 1.00 16.92 H new ATOM 0 HD12 LEU B 17 22.866 32.375 15.938 1.00 16.92 H new ATOM 0 HD13 LEU B 17 21.715 32.274 14.584 1.00 16.92 H new ATOM 0 HD21 LEU B 17 20.662 35.141 14.780 1.00 19.75 H new ATOM 0 HD22 LEU B 17 19.649 33.692 14.581 1.00 19.75 H new ATOM 0 HD23 LEU B 17 19.337 34.819 15.923 1.00 19.75 H new ATOM 1339 N GLU B 18 19.289 32.812 19.899 1.00 30.66 N ATOM 1340 CA GLU B 18 18.712 33.686 20.959 1.00 33.61 C ATOM 1341 C GLU B 18 19.317 33.296 22.312 1.00 34.68 C ATOM 1342 O GLU B 18 19.592 34.137 23.138 1.00 34.80 O ATOM 1343 CB GLU B 18 17.163 33.534 20.946 1.00 35.91 C ATOM 1344 CG GLU B 18 16.654 32.696 22.130 1.00 37.64 C ATOM 1345 CD GLU B 18 15.157 32.430 21.959 1.00 40.24 C ATOM 1346 OE1 GLU B 18 14.561 33.046 21.091 1.00 40.39 O ATOM 1347 OE2 GLU B 18 14.632 31.616 22.701 1.00 40.89 O ATOM 0 H GLU B 18 18.705 32.019 19.633 1.00 30.66 H new ATOM 0 HA GLU B 18 18.950 34.734 20.777 1.00 33.61 H new ATOM 0 HB2 GLU B 18 16.702 34.521 20.977 1.00 35.91 H new ATOM 0 HB3 GLU B 18 16.853 33.066 20.012 1.00 35.91 H new ATOM 0 HG2 GLU B 18 17.198 31.753 22.183 1.00 37.64 H new ATOM 0 HG3 GLU B 18 16.836 33.222 23.067 1.00 37.64 H new ATOM 1354 N LYS B 19 19.537 32.031 22.540 1.00 34.95 N ATOM 1355 CA LYS B 19 20.139 31.612 23.833 1.00 36.04 C ATOM 1356 C LYS B 19 21.479 32.332 23.997 1.00 35.87 C ATOM 1357 O LYS B 19 21.856 32.737 25.080 1.00 36.90 O ATOM 1358 CB LYS B 19 20.337 30.095 23.842 1.00 36.58 C ATOM 1359 CG LYS B 19 20.243 29.573 25.292 1.00 39.52 C ATOM 1360 CD LYS B 19 21.071 28.312 25.426 1.00 41.12 C ATOM 1361 CE LYS B 19 20.731 27.600 26.737 1.00 43.76 C ATOM 1362 NZ LYS B 19 20.718 28.590 27.850 1.00 45.38 N ATOM 0 H LYS B 19 19.327 31.274 21.890 1.00 34.95 H new ATOM 0 HA LYS B 19 19.481 31.874 24.662 1.00 36.04 H new ATOM 0 HB2 LYS B 19 19.580 29.615 23.221 1.00 36.58 H new ATOM 0 HB3 LYS B 19 21.307 29.841 23.415 1.00 36.58 H new ATOM 0 HG2 LYS B 19 20.601 30.332 25.988 1.00 39.52 H new ATOM 0 HG3 LYS B 19 19.204 29.368 25.550 1.00 39.52 H new ATOM 0 HD2 LYS B 19 20.879 27.649 24.582 1.00 41.12 H new ATOM 0 HD3 LYS B 19 22.132 28.560 25.402 1.00 41.12 H new ATOM 0 HE2 LYS B 19 19.759 27.113 26.658 1.00 43.76 H new ATOM 0 HE3 LYS B 19 21.463 26.818 26.940 1.00 43.76 H new ATOM 0 HZ1 LYS B 19 20.827 28.094 28.757 1.00 45.38 H new ATOM 0 HZ2 LYS B 19 21.502 29.262 27.726 1.00 45.38 H new ATOM 0 HZ3 LYS B 19 19.816 29.107 27.844 1.00 45.38 H new ATOM 1376 N PHE B 20 22.192 32.503 22.914 1.00 35.16 N ATOM 1377 CA PHE B 20 23.503 33.203 22.952 1.00 34.19 C ATOM 1378 C PHE B 20 23.340 34.580 22.299 1.00 34.42 C ATOM 1379 O PHE B 20 24.290 35.317 22.127 1.00 33.94 O ATOM 1380 CB PHE B 20 24.509 32.384 22.152 1.00 34.18 C ATOM 1381 CG PHE B 20 24.912 31.156 22.931 1.00 32.04 C ATOM 1382 CD1 PHE B 20 24.150 29.988 22.829 1.00 31.71 C ATOM 1383 CD2 PHE B 20 26.043 31.185 23.756 1.00 34.13 C ATOM 1384 CE1 PHE B 20 24.517 28.847 23.551 1.00 31.01 C ATOM 1385 CE2 PHE B 20 26.410 30.045 24.480 1.00 33.69 C ATOM 1386 CZ PHE B 20 25.646 28.876 24.377 1.00 32.95 C ATOM 0 H PHE B 20 21.912 32.179 21.988 1.00 35.16 H new ATOM 0 HA PHE B 20 23.848 33.319 23.979 1.00 34.19 H new ATOM 0 HB2 PHE B 20 24.074 32.092 21.196 1.00 34.18 H new ATOM 0 HB3 PHE B 20 25.388 32.989 21.930 1.00 34.18 H new ATOM 0 HD1 PHE B 20 23.278 29.967 22.193 1.00 31.71 H new ATOM 0 HD2 PHE B 20 26.632 32.087 23.834 1.00 34.13 H new ATOM 0 HE1 PHE B 20 23.929 27.945 23.471 1.00 31.01 H new ATOM 0 HE2 PHE B 20 27.282 30.067 25.117 1.00 33.69 H new ATOM 0 HZ PHE B 20 25.928 27.996 24.936 1.00 32.95 H new ATOM 1396 N ARG B 21 22.133 34.923 21.933 1.00 33.90 N ATOM 1397 CA ARG B 21 21.879 36.242 21.286 1.00 35.50 C ATOM 1398 C ARG B 21 22.890 36.491 20.164 1.00 34.22 C ATOM 1399 O ARG B 21 23.337 37.604 19.966 1.00 33.41 O ATOM 1400 CB ARG B 21 21.997 37.363 22.325 1.00 38.56 C ATOM 1401 CG ARG B 21 20.910 37.200 23.419 1.00 42.96 C ATOM 1402 CD ARG B 21 21.388 36.274 24.569 1.00 46.75 C ATOM 1403 NE ARG B 21 21.405 37.013 25.880 1.00 50.46 N ATOM 1404 CZ ARG B 21 21.987 38.181 26.016 1.00 51.88 C ATOM 1405 NH1 ARG B 21 22.615 38.734 25.017 1.00 54.10 N ATOM 1406 NH2 ARG B 21 21.946 38.791 27.168 1.00 54.21 N ATOM 0 H ARG B 21 21.305 34.340 22.056 1.00 33.90 H new ATOM 0 HA ARG B 21 20.873 36.232 20.866 1.00 35.50 H new ATOM 0 HB2 ARG B 21 22.987 37.343 22.781 1.00 38.56 H new ATOM 0 HB3 ARG B 21 21.890 38.332 21.838 1.00 38.56 H new ATOM 0 HG2 ARG B 21 20.651 38.179 23.823 1.00 42.96 H new ATOM 0 HG3 ARG B 21 20.004 36.789 22.974 1.00 42.96 H new ATOM 0 HD2 ARG B 21 20.729 35.409 24.643 1.00 46.75 H new ATOM 0 HD3 ARG B 21 22.386 35.896 24.347 1.00 46.75 H new ATOM 0 HE ARG B 21 20.949 36.592 26.689 1.00 50.46 H new ATOM 0 HH11 ARG B 21 22.658 38.258 24.116 1.00 54.10 H new ATOM 0 HH12 ARG B 21 23.063 39.642 25.136 1.00 54.10 H new ATOM 0 HH21 ARG B 21 21.464 38.360 27.956 1.00 54.21 H new ATOM 0 HH22 ARG B 21 22.396 39.699 27.280 1.00 54.21 H new ATOM 1420 N TYR B 22 23.256 35.481 19.419 1.00 31.03 N ATOM 1421 CA TYR B 22 24.230 35.706 18.318 1.00 30.00 C ATOM 1422 C TYR B 22 23.538 36.530 17.201 1.00 28.60 C ATOM 1423 O TYR B 22 22.342 36.415 17.027 1.00 27.38 O ATOM 1424 CB TYR B 22 24.663 34.348 17.742 1.00 26.97 C ATOM 1425 CG TYR B 22 25.756 33.708 18.591 1.00 28.47 C ATOM 1426 CD1 TYR B 22 26.976 34.371 18.824 1.00 28.83 C ATOM 1427 CD2 TYR B 22 25.546 32.437 19.147 1.00 26.95 C ATOM 1428 CE1 TYR B 22 27.967 33.764 19.605 1.00 27.02 C ATOM 1429 CE2 TYR B 22 26.540 31.834 19.926 1.00 26.27 C ATOM 1430 CZ TYR B 22 27.749 32.498 20.156 1.00 26.46 C ATOM 1431 OH TYR B 22 28.727 31.903 20.926 1.00 23.82 O ATOM 0 H TYR B 22 22.926 34.522 19.525 1.00 31.03 H new ATOM 0 HA TYR B 22 25.101 36.241 18.695 1.00 30.00 H new ATOM 0 HB2 TYR B 22 23.802 33.681 17.691 1.00 26.97 H new ATOM 0 HB3 TYR B 22 25.023 34.482 16.722 1.00 26.97 H new ATOM 0 HD1 TYR B 22 27.148 35.349 18.400 1.00 28.83 H new ATOM 0 HD2 TYR B 22 24.613 31.922 18.973 1.00 26.95 H new ATOM 0 HE1 TYR B 22 28.902 34.275 19.782 1.00 27.02 H new ATOM 0 HE2 TYR B 22 26.373 30.855 20.350 1.00 26.27 H new ATOM 0 HH TYR B 22 29.393 32.574 21.185 1.00 23.82 H new ATOM 1441 N PRO B 23 24.295 37.317 16.454 1.00 29.13 N ATOM 1442 CA PRO B 23 23.722 38.110 15.345 1.00 28.62 C ATOM 1443 C PRO B 23 22.978 37.184 14.363 1.00 28.74 C ATOM 1444 O PRO B 23 22.973 35.983 14.512 1.00 26.54 O ATOM 1445 CB PRO B 23 24.936 38.788 14.669 1.00 29.12 C ATOM 1446 CG PRO B 23 26.205 38.383 15.471 1.00 29.87 C ATOM 1447 CD PRO B 23 25.748 37.491 16.646 1.00 29.51 C ATOM 0 HA PRO B 23 22.995 38.846 15.687 1.00 28.62 H new ATOM 0 HB2 PRO B 23 25.022 38.471 13.630 1.00 29.12 H new ATOM 0 HB3 PRO B 23 24.816 39.871 14.663 1.00 29.12 H new ATOM 0 HG2 PRO B 23 26.907 37.846 14.833 1.00 29.87 H new ATOM 0 HG3 PRO B 23 26.723 39.268 15.841 1.00 29.87 H new ATOM 0 HD2 PRO B 23 26.265 36.531 16.637 1.00 29.51 H new ATOM 0 HD3 PRO B 23 25.965 37.961 17.605 1.00 29.51 H new ATOM 1455 N TRP B 24 22.347 37.747 13.367 1.00 24.77 N ATOM 1456 CA TRP B 24 21.591 36.918 12.374 1.00 26.20 C ATOM 1457 C TRP B 24 22.542 36.298 11.345 1.00 24.23 C ATOM 1458 O TRP B 24 22.167 35.410 10.605 1.00 20.77 O ATOM 1459 CB TRP B 24 20.573 37.807 11.657 1.00 28.27 C ATOM 1460 CG TRP B 24 19.804 37.009 10.647 1.00 30.88 C ATOM 1461 CD1 TRP B 24 19.861 37.204 9.309 1.00 31.38 C ATOM 1462 CD2 TRP B 24 18.859 35.913 10.859 1.00 29.00 C ATOM 1463 NE1 TRP B 24 19.012 36.305 8.687 1.00 31.09 N ATOM 1464 CE2 TRP B 24 18.372 35.490 9.599 1.00 31.07 C ATOM 1465 CE3 TRP B 24 18.379 35.251 12.007 1.00 30.12 C ATOM 1466 CZ2 TRP B 24 17.444 34.454 9.483 1.00 31.07 C ATOM 1467 CZ3 TRP B 24 17.446 34.208 11.888 1.00 31.73 C ATOM 1468 CH2 TRP B 24 16.978 33.815 10.628 1.00 30.51 C ATOM 0 H TRP B 24 22.321 38.752 13.195 1.00 24.77 H new ATOM 0 HA TRP B 24 21.083 36.111 12.902 1.00 26.20 H new ATOM 0 HB2 TRP B 24 19.888 38.245 12.383 1.00 28.27 H new ATOM 0 HB3 TRP B 24 21.085 38.633 11.164 1.00 28.27 H new ATOM 0 HD1 TRP B 24 20.470 37.942 8.808 1.00 31.38 H new ATOM 0 HE1 TRP B 24 18.876 36.251 7.678 1.00 31.09 H new ATOM 0 HE3 TRP B 24 18.731 35.548 12.984 1.00 30.12 H new ATOM 0 HZ2 TRP B 24 17.089 34.150 8.509 1.00 31.07 H new ATOM 0 HZ3 TRP B 24 17.087 33.706 12.774 1.00 31.73 H new ATOM 0 HH2 TRP B 24 16.256 33.016 10.545 1.00 30.51 H new ATOM 1479 N GLU B 25 23.760 36.763 11.270 1.00 21.71 N ATOM 1480 CA GLU B 25 24.710 36.199 10.263 1.00 23.69 C ATOM 1481 C GLU B 25 25.360 34.904 10.779 1.00 22.17 C ATOM 1482 O GLU B 25 26.009 34.209 10.028 1.00 20.98 O ATOM 1483 CB GLU B 25 25.799 37.234 9.930 1.00 29.06 C ATOM 1484 CG GLU B 25 26.205 37.995 11.195 1.00 37.12 C ATOM 1485 CD GLU B 25 27.571 38.655 10.986 1.00 42.03 C ATOM 1486 OE1 GLU B 25 28.528 37.931 10.761 1.00 44.52 O ATOM 1487 OE2 GLU B 25 27.637 39.871 11.054 1.00 44.49 O ATOM 0 H GLU B 25 24.139 37.505 11.858 1.00 21.71 H new ATOM 0 HA GLU B 25 24.147 35.962 9.360 1.00 23.69 H new ATOM 0 HB2 GLU B 25 26.668 36.734 9.502 1.00 29.06 H new ATOM 0 HB3 GLU B 25 25.431 37.932 9.178 1.00 29.06 H new ATOM 0 HG2 GLU B 25 25.457 38.752 11.431 1.00 37.12 H new ATOM 0 HG3 GLU B 25 26.246 37.312 12.044 1.00 37.12 H new ATOM 1494 N LEU B 26 25.223 34.576 12.047 1.00 18.07 N ATOM 1495 CA LEU B 26 25.868 33.321 12.566 1.00 16.50 C ATOM 1496 C LEU B 26 24.901 32.149 12.506 1.00 16.77 C ATOM 1497 O LEU B 26 25.113 31.129 13.132 1.00 16.07 O ATOM 1498 CB LEU B 26 26.322 33.521 14.007 1.00 18.60 C ATOM 1499 CG LEU B 26 27.109 34.831 14.143 1.00 21.90 C ATOM 1500 CD1 LEU B 26 27.877 34.813 15.461 1.00 24.06 C ATOM 1501 CD2 LEU B 26 28.108 34.986 12.986 1.00 25.09 C ATOM 0 H LEU B 26 24.700 35.115 12.737 1.00 18.07 H new ATOM 0 HA LEU B 26 26.730 33.102 11.936 1.00 16.50 H new ATOM 0 HB2 LEU B 26 25.456 33.539 14.669 1.00 18.60 H new ATOM 0 HB3 LEU B 26 26.944 32.682 14.319 1.00 18.60 H new ATOM 0 HG LEU B 26 26.409 35.666 14.119 1.00 21.90 H new ATOM 0 HD11 LEU B 26 28.440 35.740 15.567 1.00 24.06 H new ATOM 0 HD12 LEU B 26 27.175 34.718 16.290 1.00 24.06 H new ATOM 0 HD13 LEU B 26 28.565 33.968 15.469 1.00 24.06 H new ATOM 0 HD21 LEU B 26 28.656 35.921 13.101 1.00 25.09 H new ATOM 0 HD22 LEU B 26 28.809 34.151 12.996 1.00 25.09 H new ATOM 0 HD23 LEU B 26 27.569 34.996 12.039 1.00 25.09 H new ATOM 1513 N MET B 27 23.861 32.255 11.734 1.00 15.51 N ATOM 1514 CA MET B 27 22.933 31.112 11.628 1.00 15.51 C ATOM 1515 C MET B 27 23.685 29.891 11.049 1.00 15.79 C ATOM 1516 O MET B 27 23.476 28.791 11.521 1.00 14.86 O ATOM 1517 CB MET B 27 21.737 31.470 10.729 1.00 16.03 C ATOM 1518 CG MET B 27 20.661 32.229 11.504 1.00 14.48 C ATOM 1519 SD MET B 27 19.110 32.012 10.619 1.00 11.00 S ATOM 1520 CE MET B 27 18.641 30.432 11.351 1.00 16.96 C ATOM 0 H MET B 27 23.618 33.076 11.179 1.00 15.51 H new ATOM 0 HA MET B 27 22.555 30.868 12.621 1.00 15.51 H new ATOM 0 HB2 MET B 27 22.079 32.077 9.891 1.00 16.03 H new ATOM 0 HB3 MET B 27 21.310 30.559 10.310 1.00 16.03 H new ATOM 0 HG2 MET B 27 20.579 31.847 12.522 1.00 14.48 H new ATOM 0 HG3 MET B 27 20.916 33.286 11.580 1.00 14.48 H new ATOM 0 HE1 MET B 27 18.129 29.824 10.606 1.00 16.96 H new ATOM 0 HE2 MET B 27 19.535 29.910 11.693 1.00 16.96 H new ATOM 0 HE3 MET B 27 17.976 30.606 12.197 1.00 16.96 H new ATOM 1530 N PRO B 28 24.547 30.087 10.053 1.00 15.25 N ATOM 1531 CA PRO B 28 25.296 28.960 9.472 1.00 16.18 C ATOM 1532 C PRO B 28 26.124 28.296 10.576 1.00 15.53 C ATOM 1533 O PRO B 28 26.332 27.108 10.573 1.00 16.52 O ATOM 1534 CB PRO B 28 26.182 29.600 8.375 1.00 16.78 C ATOM 1535 CG PRO B 28 25.634 31.029 8.155 1.00 19.84 C ATOM 1536 CD PRO B 28 24.855 31.393 9.426 1.00 17.18 C ATOM 0 HA PRO B 28 24.664 28.181 9.046 1.00 16.18 H new ATOM 0 HB2 PRO B 28 27.226 29.627 8.685 1.00 16.78 H new ATOM 0 HB3 PRO B 28 26.139 29.021 7.453 1.00 16.78 H new ATOM 0 HG2 PRO B 28 26.447 31.734 7.982 1.00 19.84 H new ATOM 0 HG3 PRO B 28 24.987 31.067 7.279 1.00 19.84 H new ATOM 0 HD2 PRO B 28 25.448 32.023 10.089 1.00 17.18 H new ATOM 0 HD3 PRO B 28 23.945 31.946 9.191 1.00 17.18 H new ATOM 1544 N LEU B 29 26.575 29.055 11.535 1.00 13.35 N ATOM 1545 CA LEU B 29 27.363 28.453 12.646 1.00 12.43 C ATOM 1546 C LEU B 29 26.395 27.763 13.604 1.00 12.94 C ATOM 1547 O LEU B 29 26.533 26.591 13.896 1.00 13.87 O ATOM 1548 CB LEU B 29 28.149 29.551 13.366 1.00 15.82 C ATOM 1549 CG LEU B 29 28.884 30.411 12.329 1.00 12.60 C ATOM 1550 CD1 LEU B 29 29.831 31.375 13.049 1.00 13.73 C ATOM 1551 CD2 LEU B 29 29.690 29.507 11.379 1.00 13.81 C ATOM 0 H LEU B 29 26.433 30.063 11.598 1.00 13.35 H new ATOM 0 HA LEU B 29 28.073 27.721 12.261 1.00 12.43 H new ATOM 0 HB2 LEU B 29 27.474 30.170 13.956 1.00 15.82 H new ATOM 0 HB3 LEU B 29 28.863 29.108 14.060 1.00 15.82 H new ATOM 0 HG LEU B 29 28.157 30.979 11.749 1.00 12.60 H new ATOM 0 HD11 LEU B 29 30.354 31.987 12.315 1.00 13.73 H new ATOM 0 HD12 LEU B 29 29.257 32.019 13.715 1.00 13.73 H new ATOM 0 HD13 LEU B 29 30.557 30.806 13.630 1.00 13.73 H new ATOM 0 HD21 LEU B 29 30.210 30.122 10.645 1.00 13.81 H new ATOM 0 HD22 LEU B 29 30.418 28.934 11.953 1.00 13.81 H new ATOM 0 HD23 LEU B 29 29.013 28.824 10.866 1.00 13.81 H new ATOM 1563 N MET B 30 25.390 28.458 14.068 1.00 13.14 N ATOM 1564 CA MET B 30 24.399 27.807 14.967 1.00 14.92 C ATOM 1565 C MET B 30 23.889 26.560 14.250 1.00 15.06 C ATOM 1566 O MET B 30 23.655 25.525 14.843 1.00 14.78 O ATOM 1567 CB MET B 30 23.223 28.768 15.208 1.00 14.70 C ATOM 1568 CG MET B 30 23.499 29.654 16.419 1.00 10.57 C ATOM 1569 SD MET B 30 24.938 30.707 16.090 1.00 7.09 S ATOM 1570 CE MET B 30 26.073 29.994 17.310 1.00 13.40 C ATOM 0 H MET B 30 25.215 29.442 13.864 1.00 13.14 H new ATOM 0 HA MET B 30 24.851 27.551 15.925 1.00 14.92 H new ATOM 0 HB2 MET B 30 23.064 29.387 14.325 1.00 14.70 H new ATOM 0 HB3 MET B 30 22.307 28.199 15.367 1.00 14.70 H new ATOM 0 HG2 MET B 30 22.627 30.271 16.637 1.00 10.57 H new ATOM 0 HG3 MET B 30 23.681 29.037 17.299 1.00 10.57 H new ATOM 0 HE1 MET B 30 26.882 30.697 17.509 1.00 13.40 H new ATOM 0 HE2 MET B 30 25.533 29.792 18.235 1.00 13.40 H new ATOM 0 HE3 MET B 30 26.488 29.064 16.921 1.00 13.40 H new ATOM 1580 N TYR B 31 23.714 26.674 12.966 1.00 13.82 N ATOM 1581 CA TYR B 31 23.217 25.530 12.164 1.00 14.24 C ATOM 1582 C TYR B 31 24.161 24.328 12.323 1.00 15.20 C ATOM 1583 O TYR B 31 23.756 23.257 12.729 1.00 15.23 O ATOM 1584 CB TYR B 31 23.153 25.942 10.691 1.00 15.18 C ATOM 1585 CG TYR B 31 22.784 24.748 9.846 1.00 19.70 C ATOM 1586 CD1 TYR B 31 23.778 23.857 9.425 1.00 21.03 C ATOM 1587 CD2 TYR B 31 21.449 24.530 9.481 1.00 22.09 C ATOM 1588 CE1 TYR B 31 23.443 22.751 8.642 1.00 22.51 C ATOM 1589 CE2 TYR B 31 21.114 23.420 8.698 1.00 25.56 C ATOM 1590 CZ TYR B 31 22.110 22.531 8.278 1.00 25.00 C ATOM 1591 OH TYR B 31 21.778 21.437 7.505 1.00 30.46 O ATOM 0 H TYR B 31 23.897 27.524 12.432 1.00 13.82 H new ATOM 0 HA TYR B 31 22.223 25.247 12.512 1.00 14.24 H new ATOM 0 HB2 TYR B 31 22.418 26.736 10.557 1.00 15.18 H new ATOM 0 HB3 TYR B 31 24.116 26.342 10.373 1.00 15.18 H new ATOM 0 HD1 TYR B 31 24.807 24.026 9.707 1.00 21.03 H new ATOM 0 HD2 TYR B 31 20.681 25.217 9.803 1.00 22.09 H new ATOM 0 HE1 TYR B 31 24.212 22.066 8.317 1.00 22.51 H new ATOM 0 HE2 TYR B 31 20.085 23.249 8.417 1.00 25.56 H new ATOM 0 HH TYR B 31 20.811 21.432 7.344 1.00 30.46 H new ATOM 1601 N VAL B 32 25.414 24.494 11.989 1.00 14.03 N ATOM 1602 CA VAL B 32 26.380 23.358 12.102 1.00 12.14 C ATOM 1603 C VAL B 32 26.424 22.833 13.538 1.00 12.91 C ATOM 1604 O VAL B 32 26.265 21.653 13.778 1.00 14.47 O ATOM 1605 CB VAL B 32 27.778 23.827 11.687 1.00 12.64 C ATOM 1606 CG1 VAL B 32 28.743 22.645 11.746 1.00 12.95 C ATOM 1607 CG2 VAL B 32 27.735 24.377 10.257 1.00 14.27 C ATOM 0 H VAL B 32 25.812 25.367 11.643 1.00 14.03 H new ATOM 0 HA VAL B 32 26.051 22.554 11.443 1.00 12.14 H new ATOM 0 HB VAL B 32 28.114 24.612 12.365 1.00 12.64 H new ATOM 0 HG11 VAL B 32 29.740 22.974 11.451 1.00 12.95 H new ATOM 0 HG12 VAL B 32 28.776 22.253 12.762 1.00 12.95 H new ATOM 0 HG13 VAL B 32 28.403 21.864 11.066 1.00 12.95 H new ATOM 0 HG21 VAL B 32 28.731 24.710 9.965 1.00 14.27 H new ATOM 0 HG22 VAL B 32 27.400 23.595 9.576 1.00 14.27 H new ATOM 0 HG23 VAL B 32 27.044 25.218 10.211 1.00 14.27 H new ATOM 1617 N ILE B 33 26.648 23.695 14.494 1.00 13.72 N ATOM 1618 CA ILE B 33 26.711 23.249 15.917 1.00 9.81 C ATOM 1619 C ILE B 33 25.573 22.257 16.209 1.00 12.06 C ATOM 1620 O ILE B 33 25.789 21.179 16.726 1.00 13.15 O ATOM 1621 CB ILE B 33 26.602 24.502 16.795 1.00 11.56 C ATOM 1622 CG1 ILE B 33 27.948 25.243 16.739 1.00 12.90 C ATOM 1623 CG2 ILE B 33 26.277 24.128 18.243 1.00 12.06 C ATOM 1624 CD1 ILE B 33 27.841 26.637 17.368 1.00 11.54 C ATOM 0 H ILE B 33 26.791 24.695 14.350 1.00 13.72 H new ATOM 0 HA ILE B 33 27.648 22.733 16.127 1.00 9.81 H new ATOM 0 HB ILE B 33 25.797 25.137 16.425 1.00 11.56 H new ATOM 0 HG12 ILE B 33 28.708 24.662 17.263 1.00 12.90 H new ATOM 0 HG13 ILE B 33 28.274 25.333 15.703 1.00 12.90 H new ATOM 0 HG21 ILE B 33 26.205 25.034 18.845 1.00 12.06 H new ATOM 0 HG22 ILE B 33 25.328 23.594 18.276 1.00 12.06 H new ATOM 0 HG23 ILE B 33 27.067 23.490 18.640 1.00 12.06 H new ATOM 0 HD11 ILE B 33 28.808 27.136 17.313 1.00 11.54 H new ATOM 0 HD12 ILE B 33 27.099 27.224 16.827 1.00 11.54 H new ATOM 0 HD13 ILE B 33 27.540 26.543 18.411 1.00 11.54 H new ATOM 1636 N LEU B 34 24.375 22.614 15.864 1.00 13.55 N ATOM 1637 CA LEU B 34 23.202 21.714 16.085 1.00 16.27 C ATOM 1638 C LEU B 34 23.391 20.420 15.267 1.00 18.00 C ATOM 1639 O LEU B 34 23.082 19.338 15.725 1.00 20.35 O ATOM 1640 CB LEU B 34 21.939 22.489 15.598 1.00 15.33 C ATOM 1641 CG LEU B 34 20.959 23.017 16.727 1.00 18.88 C ATOM 1642 CD1 LEU B 34 21.459 22.831 18.166 1.00 18.63 C ATOM 1643 CD2 LEU B 34 20.695 24.518 16.513 1.00 18.04 C ATOM 0 H LEU B 34 24.147 23.508 15.429 1.00 13.55 H new ATOM 0 HA LEU B 34 23.099 21.438 17.135 1.00 16.27 H new ATOM 0 HB2 LEU B 34 22.269 23.342 15.005 1.00 15.33 H new ATOM 0 HB3 LEU B 34 21.374 21.837 14.932 1.00 15.33 H new ATOM 0 HG LEU B 34 20.059 22.410 16.626 1.00 18.88 H new ATOM 0 HD11 LEU B 34 20.718 23.224 18.862 1.00 18.63 H new ATOM 0 HD12 LEU B 34 21.615 21.770 18.363 1.00 18.63 H new ATOM 0 HD13 LEU B 34 22.399 23.367 18.297 1.00 18.63 H new ATOM 0 HD21 LEU B 34 20.021 24.883 17.288 1.00 18.04 H new ATOM 0 HD22 LEU B 34 21.637 25.064 16.564 1.00 18.04 H new ATOM 0 HD23 LEU B 34 20.239 24.671 15.535 1.00 18.04 H new ATOM 1655 N LYS B 35 23.883 20.525 14.066 1.00 16.90 N ATOM 1656 CA LYS B 35 24.079 19.301 13.222 1.00 19.51 C ATOM 1657 C LYS B 35 24.900 18.276 13.989 1.00 18.97 C ATOM 1658 O LYS B 35 24.765 17.083 13.803 1.00 18.29 O ATOM 1659 CB LYS B 35 24.828 19.680 11.939 1.00 23.32 C ATOM 1660 CG LYS B 35 24.825 18.493 10.973 1.00 27.46 C ATOM 1661 CD LYS B 35 25.713 18.814 9.768 1.00 30.03 C ATOM 1662 CE LYS B 35 25.862 17.567 8.895 1.00 33.24 C ATOM 1663 NZ LYS B 35 26.922 17.801 7.875 1.00 34.14 N ATOM 0 H LYS B 35 24.160 21.403 13.626 1.00 16.90 H new ATOM 0 HA LYS B 35 23.106 18.879 12.972 1.00 19.51 H new ATOM 0 HB2 LYS B 35 24.355 20.544 11.471 1.00 23.32 H new ATOM 0 HB3 LYS B 35 25.853 19.967 12.175 1.00 23.32 H new ATOM 0 HG2 LYS B 35 25.189 17.598 11.478 1.00 27.46 H new ATOM 0 HG3 LYS B 35 23.808 18.282 10.643 1.00 27.46 H new ATOM 0 HD2 LYS B 35 25.276 19.627 9.188 1.00 30.03 H new ATOM 0 HD3 LYS B 35 26.692 19.154 10.105 1.00 30.03 H new ATOM 0 HE2 LYS B 35 26.119 16.706 9.512 1.00 33.24 H new ATOM 0 HE3 LYS B 35 24.916 17.337 8.406 1.00 33.24 H new ATOM 0 HZ1 LYS B 35 27.025 16.954 7.280 1.00 34.14 H new ATOM 0 HZ2 LYS B 35 26.658 18.612 7.280 1.00 34.14 H new ATOM 0 HZ3 LYS B 35 27.824 18.001 8.352 1.00 34.14 H new ATOM 1677 N ASP B 36 25.764 18.738 14.836 1.00 17.40 N ATOM 1678 CA ASP B 36 26.627 17.817 15.614 1.00 17.99 C ATOM 1679 C ASP B 36 25.927 17.389 16.903 1.00 20.53 C ATOM 1680 O ASP B 36 25.941 16.234 17.280 1.00 21.50 O ATOM 1681 CB ASP B 36 27.907 18.563 15.951 1.00 17.75 C ATOM 1682 CG ASP B 36 28.423 19.253 14.686 1.00 19.30 C ATOM 1683 OD1 ASP B 36 28.613 18.567 13.696 1.00 17.31 O ATOM 1684 OD2 ASP B 36 28.619 20.457 14.730 1.00 18.21 O ATOM 0 H ASP B 36 25.913 19.729 15.026 1.00 17.40 H new ATOM 0 HA ASP B 36 26.840 16.921 15.032 1.00 17.99 H new ATOM 0 HB2 ASP B 36 27.720 19.299 16.733 1.00 17.75 H new ATOM 0 HB3 ASP B 36 28.656 17.872 16.336 1.00 17.75 H new ATOM 1689 N ALA B 37 25.342 18.321 17.592 1.00 17.76 N ATOM 1690 CA ALA B 37 24.665 17.997 18.875 1.00 20.31 C ATOM 1691 C ALA B 37 23.293 17.383 18.621 1.00 21.98 C ATOM 1692 O ALA B 37 22.352 17.632 19.348 1.00 20.93 O ATOM 1693 CB ALA B 37 24.501 19.282 19.669 1.00 16.79 C ATOM 0 H ALA B 37 25.303 19.303 17.320 1.00 17.76 H new ATOM 0 HA ALA B 37 25.267 17.276 19.428 1.00 20.31 H new ATOM 0 HB1 ALA B 37 24.005 19.064 20.615 1.00 16.79 H new ATOM 0 HB2 ALA B 37 25.481 19.717 19.864 1.00 16.79 H new ATOM 0 HB3 ALA B 37 23.898 19.988 19.098 1.00 16.79 H new ATOM 1699 N ASP B 38 23.158 16.591 17.603 1.00 22.08 N ATOM 1700 CA ASP B 38 21.831 15.987 17.334 1.00 24.70 C ATOM 1701 C ASP B 38 20.802 17.112 17.226 1.00 27.43 C ATOM 1702 O ASP B 38 19.610 16.893 17.293 1.00 26.89 O ATOM 1703 CB ASP B 38 21.463 15.049 18.491 1.00 26.17 C ATOM 1704 CG ASP B 38 20.399 14.049 18.031 1.00 26.41 C ATOM 1705 OD1 ASP B 38 20.677 13.301 17.108 1.00 30.65 O ATOM 1706 OD2 ASP B 38 19.326 14.047 18.611 1.00 29.79 O ATOM 0 H ASP B 38 23.900 16.337 16.951 1.00 22.08 H new ATOM 0 HA ASP B 38 21.850 15.416 16.406 1.00 24.70 H new ATOM 0 HB2 ASP B 38 22.350 14.517 18.836 1.00 26.17 H new ATOM 0 HB3 ASP B 38 21.090 15.628 19.336 1.00 26.17 H new ATOM 1711 N ALA B 39 21.272 18.319 17.062 1.00 25.83 N ATOM 1712 CA ALA B 39 20.357 19.483 16.949 1.00 28.40 C ATOM 1713 C ALA B 39 19.704 19.767 18.307 1.00 30.32 C ATOM 1714 O ALA B 39 18.782 20.551 18.409 1.00 32.55 O ATOM 1715 CB ALA B 39 19.293 19.193 15.888 1.00 28.82 C ATOM 0 H ALA B 39 22.264 18.547 17.001 1.00 25.83 H new ATOM 0 HA ALA B 39 20.922 20.365 16.649 1.00 28.40 H new ATOM 0 HB1 ALA B 39 18.621 20.047 15.804 1.00 28.82 H new ATOM 0 HB2 ALA B 39 19.776 19.016 14.927 1.00 28.82 H new ATOM 0 HB3 ALA B 39 18.723 18.309 16.176 1.00 28.82 H new ATOM 1721 N ASN B 40 20.184 19.146 19.353 1.00 29.50 N ATOM 1722 CA ASN B 40 19.599 19.394 20.704 1.00 32.01 C ATOM 1723 C ASN B 40 20.282 20.617 21.320 1.00 32.47 C ATOM 1724 O ASN B 40 21.426 20.564 21.727 1.00 29.40 O ATOM 1725 CB ASN B 40 19.827 18.174 21.600 1.00 33.06 C ATOM 1726 CG ASN B 40 18.860 17.058 21.200 1.00 33.55 C ATOM 1727 OD1 ASN B 40 18.551 16.894 20.036 1.00 35.11 O ATOM 1728 ND2 ASN B 40 18.365 16.279 22.122 1.00 33.85 N ATOM 0 H ASN B 40 20.955 18.479 19.330 1.00 29.50 H new ATOM 0 HA ASN B 40 18.527 19.572 20.614 1.00 32.01 H new ATOM 0 HB2 ASN B 40 20.856 17.828 21.506 1.00 33.06 H new ATOM 0 HB3 ASN B 40 19.675 18.444 22.645 1.00 33.06 H new ATOM 0 HD21 ASN B 40 17.719 15.532 21.866 1.00 33.85 H new ATOM 0 HD22 ASN B 40 18.624 16.416 23.099 1.00 33.85 H new ATOM 1735 N ILE B 41 19.593 21.721 21.380 1.00 33.58 N ATOM 1736 CA ILE B 41 20.199 22.956 21.954 1.00 35.14 C ATOM 1737 C ILE B 41 20.853 22.641 23.301 1.00 34.57 C ATOM 1738 O ILE B 41 22.032 22.867 23.489 1.00 33.97 O ATOM 1739 CB ILE B 41 19.097 24.018 22.127 1.00 38.72 C ATOM 1740 CG1 ILE B 41 18.689 24.501 20.715 1.00 39.13 C ATOM 1741 CG2 ILE B 41 19.590 25.202 23.022 1.00 40.27 C ATOM 1742 CD1 ILE B 41 17.678 25.660 20.774 1.00 40.55 C ATOM 0 H ILE B 41 18.632 21.823 21.055 1.00 33.58 H new ATOM 0 HA ILE B 41 20.968 23.338 21.282 1.00 35.14 H new ATOM 0 HB ILE B 41 18.234 23.591 22.637 1.00 38.72 H new ATOM 0 HG12 ILE B 41 19.577 24.822 20.170 1.00 39.13 H new ATOM 0 HG13 ILE B 41 18.256 23.670 20.158 1.00 39.13 H new ATOM 0 HG21 ILE B 41 18.791 25.936 23.127 1.00 40.27 H new ATOM 0 HG22 ILE B 41 19.866 24.824 24.006 1.00 40.27 H new ATOM 0 HG23 ILE B 41 20.457 25.673 22.558 1.00 40.27 H new ATOM 0 HD11 ILE B 41 17.419 25.968 19.761 1.00 40.55 H new ATOM 0 HD12 ILE B 41 16.779 25.332 21.295 1.00 40.55 H new ATOM 0 HD13 ILE B 41 18.120 26.502 21.308 1.00 40.55 H new ATOM 1754 N GLU B 42 20.104 22.141 24.242 1.00 35.46 N ATOM 1755 CA GLU B 42 20.694 21.834 25.577 1.00 34.62 C ATOM 1756 C GLU B 42 22.025 21.100 25.403 1.00 31.10 C ATOM 1757 O GLU B 42 22.964 21.316 26.142 1.00 29.48 O ATOM 1758 CB GLU B 42 19.726 20.955 26.370 1.00 40.18 C ATOM 1759 CG GLU B 42 18.411 21.706 26.585 1.00 46.15 C ATOM 1760 CD GLU B 42 17.464 20.849 27.427 1.00 50.80 C ATOM 1761 OE1 GLU B 42 16.831 19.972 26.863 1.00 52.61 O ATOM 1762 OE2 GLU B 42 17.389 21.084 28.622 1.00 53.92 O ATOM 0 H GLU B 42 19.110 21.931 24.147 1.00 35.46 H new ATOM 0 HA GLU B 42 20.868 22.766 26.115 1.00 34.62 H new ATOM 0 HB2 GLU B 42 19.542 20.024 25.834 1.00 40.18 H new ATOM 0 HB3 GLU B 42 20.165 20.688 27.331 1.00 40.18 H new ATOM 0 HG2 GLU B 42 18.600 22.656 27.085 1.00 46.15 H new ATOM 0 HG3 GLU B 42 17.951 21.938 25.624 1.00 46.15 H new ATOM 1769 N GLU B 43 22.117 20.241 24.426 1.00 26.75 N ATOM 1770 CA GLU B 43 23.392 19.502 24.201 1.00 25.31 C ATOM 1771 C GLU B 43 24.322 20.361 23.342 1.00 22.10 C ATOM 1772 O GLU B 43 25.526 20.333 23.499 1.00 21.22 O ATOM 1773 CB GLU B 43 23.099 18.183 23.480 1.00 24.85 C ATOM 1774 CG GLU B 43 24.307 17.250 23.602 1.00 27.31 C ATOM 1775 CD GLU B 43 24.424 16.751 25.044 1.00 29.91 C ATOM 1776 OE1 GLU B 43 23.472 16.159 25.524 1.00 28.72 O ATOM 1777 OE2 GLU B 43 25.464 16.971 25.643 1.00 30.00 O ATOM 0 H GLU B 43 21.365 20.018 23.774 1.00 26.75 H new ATOM 0 HA GLU B 43 23.868 19.289 25.158 1.00 25.31 H new ATOM 0 HB2 GLU B 43 22.217 17.710 23.911 1.00 24.85 H new ATOM 0 HB3 GLU B 43 22.878 18.373 22.430 1.00 24.85 H new ATOM 0 HG2 GLU B 43 24.198 16.405 22.922 1.00 27.31 H new ATOM 0 HG3 GLU B 43 25.217 17.776 23.313 1.00 27.31 H new ATOM 1784 N ALA B 44 23.773 21.128 22.438 1.00 21.46 N ATOM 1785 CA ALA B 44 24.632 21.988 21.577 1.00 22.00 C ATOM 1786 C ALA B 44 25.138 23.174 22.405 1.00 21.74 C ATOM 1787 O ALA B 44 26.265 23.603 22.266 1.00 19.07 O ATOM 1788 CB ALA B 44 23.822 22.467 20.351 1.00 22.06 C ATOM 0 H ALA B 44 22.771 21.195 22.260 1.00 21.46 H new ATOM 0 HA ALA B 44 25.491 21.423 21.215 1.00 22.00 H new ATOM 0 HB1 ALA B 44 24.452 23.096 19.722 1.00 22.06 H new ATOM 0 HB2 ALA B 44 23.484 21.603 19.778 1.00 22.06 H new ATOM 0 HB3 ALA B 44 22.958 23.040 20.687 1.00 22.06 H new ATOM 1794 N SER B 45 24.317 23.696 23.269 1.00 21.72 N ATOM 1795 CA SER B 45 24.752 24.844 24.111 1.00 24.00 C ATOM 1796 C SER B 45 25.948 24.417 24.965 1.00 24.30 C ATOM 1797 O SER B 45 26.931 25.122 25.075 1.00 23.27 O ATOM 1798 CB SER B 45 23.599 25.265 25.020 1.00 25.03 C ATOM 1799 OG SER B 45 23.540 24.394 26.144 1.00 28.51 O ATOM 0 H SER B 45 23.361 23.377 23.430 1.00 21.72 H new ATOM 0 HA SER B 45 25.039 25.682 23.476 1.00 24.00 H new ATOM 0 HB2 SER B 45 23.739 26.294 25.351 1.00 25.03 H new ATOM 0 HB3 SER B 45 22.658 25.232 24.471 1.00 25.03 H new ATOM 0 HG SER B 45 23.309 23.490 25.845 1.00 28.51 H new ATOM 1805 N ARG B 46 25.866 23.265 25.568 1.00 26.45 N ATOM 1806 CA ARG B 46 26.987 22.775 26.419 1.00 27.79 C ATOM 1807 C ARG B 46 28.312 22.933 25.669 1.00 26.86 C ATOM 1808 O ARG B 46 29.325 23.281 26.243 1.00 25.99 O ATOM 1809 CB ARG B 46 26.750 21.296 26.742 1.00 31.64 C ATOM 1810 CG ARG B 46 25.511 21.143 27.656 1.00 39.02 C ATOM 1811 CD ARG B 46 25.939 21.082 29.128 1.00 43.92 C ATOM 1812 NE ARG B 46 26.655 19.799 29.379 1.00 48.12 N ATOM 1813 CZ ARG B 46 27.350 19.640 30.472 1.00 50.42 C ATOM 1814 NH1 ARG B 46 27.414 20.601 31.352 1.00 52.31 N ATOM 1815 NH2 ARG B 46 27.980 18.517 30.687 1.00 52.39 N ATOM 0 H ARG B 46 25.065 22.637 25.508 1.00 26.45 H new ATOM 0 HA ARG B 46 27.032 23.354 27.342 1.00 27.79 H new ATOM 0 HB2 ARG B 46 26.603 20.733 25.820 1.00 31.64 H new ATOM 0 HB3 ARG B 46 27.628 20.878 27.234 1.00 31.64 H new ATOM 0 HG2 ARG B 46 24.832 21.981 27.502 1.00 39.02 H new ATOM 0 HG3 ARG B 46 24.965 20.238 27.391 1.00 39.02 H new ATOM 0 HD2 ARG B 46 26.587 21.926 29.366 1.00 43.92 H new ATOM 0 HD3 ARG B 46 25.066 21.158 29.776 1.00 43.92 H new ATOM 0 HE ARG B 46 26.602 19.044 28.695 1.00 48.12 H new ATOM 0 HH11 ARG B 46 26.920 21.478 31.186 1.00 52.31 H new ATOM 0 HH12 ARG B 46 27.958 20.475 32.206 1.00 52.31 H new ATOM 0 HH21 ARG B 46 27.929 17.764 30.001 1.00 52.39 H new ATOM 0 HH22 ARG B 46 28.523 18.392 31.541 1.00 52.39 H new ATOM 1829 N ARG B 47 28.310 22.680 24.392 1.00 22.86 N ATOM 1830 CA ARG B 47 29.565 22.812 23.598 1.00 20.88 C ATOM 1831 C ARG B 47 29.941 24.287 23.502 1.00 18.23 C ATOM 1832 O ARG B 47 30.991 24.700 23.952 1.00 21.17 O ATOM 1833 CB ARG B 47 29.340 22.235 22.199 1.00 19.97 C ATOM 1834 CG ARG B 47 28.612 20.892 22.323 1.00 21.43 C ATOM 1835 CD ARG B 47 28.427 20.252 20.942 1.00 22.98 C ATOM 1836 NE ARG B 47 28.363 18.773 21.106 1.00 20.54 N ATOM 1837 CZ ARG B 47 27.967 18.025 20.117 1.00 24.59 C ATOM 1838 NH1 ARG B 47 27.671 18.568 18.973 1.00 24.12 N ATOM 1839 NH2 ARG B 47 27.870 16.734 20.272 1.00 16.51 N ATOM 0 H ARG B 47 27.491 22.386 23.860 1.00 22.86 H new ATOM 0 HA ARG B 47 30.374 22.266 24.083 1.00 20.88 H new ATOM 0 HB2 ARG B 47 28.752 22.927 21.596 1.00 19.97 H new ATOM 0 HB3 ARG B 47 30.294 22.100 21.690 1.00 19.97 H new ATOM 0 HG2 ARG B 47 29.180 20.222 22.968 1.00 21.43 H new ATOM 0 HG3 ARG B 47 27.641 21.040 22.795 1.00 21.43 H new ATOM 0 HD2 ARG B 47 27.514 20.620 20.474 1.00 22.98 H new ATOM 0 HD3 ARG B 47 29.254 20.524 20.286 1.00 22.98 H new ATOM 0 HE ARG B 47 28.629 18.346 21.993 1.00 20.54 H new ATOM 0 HH11 ARG B 47 27.749 19.578 18.852 1.00 24.12 H new ATOM 0 HH12 ARG B 47 27.360 17.984 18.196 1.00 24.12 H new ATOM 0 HH21 ARG B 47 28.105 16.309 21.169 1.00 16.51 H new ATOM 0 HH22 ARG B 47 27.560 16.149 19.496 1.00 16.51 H new ATOM 1853 N ILE B 48 29.077 25.090 22.944 1.00 16.11 N ATOM 1854 CA ILE B 48 29.362 26.552 22.846 1.00 18.86 C ATOM 1855 C ILE B 48 29.849 27.031 24.202 1.00 23.26 C ATOM 1856 O ILE B 48 30.916 27.591 24.340 1.00 21.90 O ATOM 1857 CB ILE B 48 28.076 27.280 22.477 1.00 18.65 C ATOM 1858 CG1 ILE B 48 27.494 26.616 21.231 1.00 19.26 C ATOM 1859 CG2 ILE B 48 28.388 28.751 22.196 1.00 21.02 C ATOM 1860 CD1 ILE B 48 26.304 27.422 20.702 1.00 15.25 C ATOM 0 H ILE B 48 28.183 24.797 22.550 1.00 16.11 H new ATOM 0 HA ILE B 48 30.119 26.749 22.087 1.00 18.86 H new ATOM 0 HB ILE B 48 27.356 27.227 23.294 1.00 18.65 H new ATOM 0 HG12 ILE B 48 28.261 26.540 20.460 1.00 19.26 H new ATOM 0 HG13 ILE B 48 27.177 25.600 21.467 1.00 19.26 H new ATOM 0 HG21 ILE B 48 27.469 29.274 21.932 1.00 21.02 H new ATOM 0 HG22 ILE B 48 28.822 29.207 23.086 1.00 21.02 H new ATOM 0 HG23 ILE B 48 29.096 28.821 21.370 1.00 21.02 H new ATOM 0 HD11 ILE B 48 25.901 26.935 19.814 1.00 15.25 H new ATOM 0 HD12 ILE B 48 25.531 27.476 21.469 1.00 15.25 H new ATOM 0 HD13 ILE B 48 26.632 28.430 20.446 1.00 15.25 H new ATOM 1872 N GLU B 49 29.071 26.778 25.206 1.00 24.41 N ATOM 1873 CA GLU B 49 29.457 27.176 26.583 1.00 29.72 C ATOM 1874 C GLU B 49 30.906 26.795 26.838 1.00 31.01 C ATOM 1875 O GLU B 49 31.753 27.635 27.069 1.00 30.32 O ATOM 1876 CB GLU B 49 28.608 26.381 27.556 1.00 30.86 C ATOM 1877 CG GLU B 49 27.201 26.979 27.655 1.00 35.37 C ATOM 1878 CD GLU B 49 26.478 26.380 28.863 1.00 37.77 C ATOM 1879 OE1 GLU B 49 26.580 25.180 29.055 1.00 38.78 O ATOM 1880 OE2 GLU B 49 25.836 27.133 29.577 1.00 38.92 O ATOM 0 H GLU B 49 28.170 26.305 25.133 1.00 24.41 H new ATOM 0 HA GLU B 49 29.319 28.250 26.705 1.00 29.72 H new ATOM 0 HB2 GLU B 49 28.546 25.343 27.229 1.00 30.86 H new ATOM 0 HB3 GLU B 49 29.078 26.378 28.539 1.00 30.86 H new ATOM 0 HG2 GLU B 49 27.261 28.063 27.754 1.00 35.37 H new ATOM 0 HG3 GLU B 49 26.641 26.772 26.743 1.00 35.37 H new ATOM 1887 N GLU B 50 31.195 25.519 26.783 1.00 31.22 N ATOM 1888 CA GLU B 50 32.591 25.069 27.004 1.00 30.52 C ATOM 1889 C GLU B 50 33.453 25.916 26.095 1.00 30.97 C ATOM 1890 O GLU B 50 34.455 26.440 26.486 1.00 30.11 O ATOM 1891 CB GLU B 50 32.709 23.572 26.643 1.00 33.65 C ATOM 1892 CG GLU B 50 33.801 22.901 27.487 1.00 34.45 C ATOM 1893 CD GLU B 50 33.787 21.393 27.231 1.00 36.26 C ATOM 1894 OE1 GLU B 50 33.810 21.008 26.073 1.00 36.07 O ATOM 1895 OE2 GLU B 50 33.755 20.648 28.197 1.00 35.94 O ATOM 0 H GLU B 50 30.522 24.776 26.595 1.00 31.22 H new ATOM 0 HA GLU B 50 32.902 25.181 28.043 1.00 30.52 H new ATOM 0 HB2 GLU B 50 31.754 23.075 26.811 1.00 33.65 H new ATOM 0 HB3 GLU B 50 32.942 23.464 25.584 1.00 33.65 H new ATOM 0 HG2 GLU B 50 34.777 23.315 27.234 1.00 34.45 H new ATOM 0 HG3 GLU B 50 33.634 23.103 28.545 1.00 34.45 H new ATOM 1902 N GLY B 51 33.003 26.087 24.896 1.00 0.00 N ATOM 1903 CA GLY B 51 33.733 26.931 23.920 1.00 0.00 C ATOM 1904 C GLY B 51 33.968 28.330 24.504 1.00 0.00 C ATOM 1905 O GLY B 51 35.081 28.777 24.683 1.00 0.00 O ATOM 0 H GLY B 51 32.143 25.670 24.540 1.00 0.00 H new ATOM 0 HA2 GLY B 51 34.687 26.468 23.670 1.00 0.00 H new ATOM 0 HA3 GLY B 51 33.163 27.006 22.994 1.00 0.00 H new ATOM 1909 N GLN B 52 32.905 29.036 24.787 1.00 30.19 N ATOM 1910 CA GLN B 52 33.039 30.415 25.349 1.00 33.26 C ATOM 1911 C GLN B 52 34.053 30.380 26.476 1.00 34.21 C ATOM 1912 O GLN B 52 34.983 31.158 26.531 1.00 33.27 O ATOM 1913 CB GLN B 52 31.695 30.877 25.923 1.00 34.36 C ATOM 1914 CG GLN B 52 30.574 30.709 24.877 1.00 37.06 C ATOM 1915 CD GLN B 52 30.391 32.000 24.075 1.00 39.18 C ATOM 1916 OE1 GLN B 52 31.349 32.586 23.612 1.00 39.82 O ATOM 1917 NE2 GLN B 52 29.188 32.468 23.895 1.00 40.80 N ATOM 0 H GLN B 52 31.946 28.717 24.653 1.00 30.19 H new ATOM 0 HA GLN B 52 33.355 31.099 24.561 1.00 33.26 H new ATOM 0 HB2 GLN B 52 31.457 30.299 26.816 1.00 34.36 H new ATOM 0 HB3 GLN B 52 31.763 31.921 26.228 1.00 34.36 H new ATOM 0 HG2 GLN B 52 30.817 29.887 24.204 1.00 37.06 H new ATOM 0 HG3 GLN B 52 29.640 30.448 25.375 1.00 37.06 H new ATOM 0 HE21 GLN B 52 28.385 31.974 24.285 1.00 40.80 H new ATOM 0 HE22 GLN B 52 29.049 33.328 23.364 1.00 40.80 H new ATOM 1926 N TYR B 53 33.871 29.460 27.366 1.00 35.76 N ATOM 1927 CA TYR B 53 34.808 29.323 28.502 1.00 38.60 C ATOM 1928 C TYR B 53 36.161 28.871 27.957 1.00 39.68 C ATOM 1929 O TYR B 53 37.200 29.397 28.295 1.00 39.52 O ATOM 1930 CB TYR B 53 34.252 28.268 29.471 1.00 40.83 C ATOM 1931 CG TYR B 53 35.359 27.731 30.349 1.00 43.21 C ATOM 1932 CD1 TYR B 53 36.212 26.738 29.865 1.00 44.13 C ATOM 1933 CD2 TYR B 53 35.531 28.234 31.632 1.00 43.89 C ATOM 1934 CE1 TYR B 53 37.238 26.246 30.667 1.00 47.20 C ATOM 1935 CE2 TYR B 53 36.560 27.746 32.446 1.00 46.12 C ATOM 1936 CZ TYR B 53 37.417 26.749 31.962 1.00 46.20 C ATOM 1937 OH TYR B 53 38.433 26.262 32.759 1.00 48.95 O ATOM 0 H TYR B 53 33.104 28.788 27.356 1.00 35.76 H new ATOM 0 HA TYR B 53 34.924 30.270 29.028 1.00 38.60 H new ATOM 0 HB2 TYR B 53 33.469 28.708 30.089 1.00 40.83 H new ATOM 0 HB3 TYR B 53 33.795 27.453 28.910 1.00 40.83 H new ATOM 0 HD1 TYR B 53 36.076 26.350 28.866 1.00 44.13 H new ATOM 0 HD2 TYR B 53 34.870 29.003 32.002 1.00 43.89 H new ATOM 0 HE1 TYR B 53 37.896 25.477 30.291 1.00 47.20 H new ATOM 0 HE2 TYR B 53 36.693 28.137 33.444 1.00 46.12 H new ATOM 0 HH TYR B 53 39.020 25.686 32.226 1.00 48.95 H new ATOM 1947 N VAL B 54 36.129 27.883 27.123 1.00 39.35 N ATOM 1948 CA VAL B 54 37.371 27.331 26.529 1.00 40.00 C ATOM 1949 C VAL B 54 38.198 28.475 25.929 1.00 40.47 C ATOM 1950 O VAL B 54 39.333 28.702 26.299 1.00 39.23 O ATOM 1951 CB VAL B 54 36.923 26.357 25.436 1.00 40.33 C ATOM 1952 CG1 VAL B 54 37.993 26.156 24.390 1.00 40.58 C ATOM 1953 CG2 VAL B 54 36.496 24.985 26.023 1.00 39.92 C ATOM 0 H VAL B 54 35.272 27.421 26.818 1.00 39.35 H new ATOM 0 HA VAL B 54 37.991 26.825 27.269 1.00 40.00 H new ATOM 0 HB VAL B 54 36.055 26.812 24.959 1.00 40.33 H new ATOM 0 HG11 VAL B 54 37.635 25.458 23.633 1.00 40.58 H new ATOM 0 HG12 VAL B 54 38.227 27.112 23.921 1.00 40.58 H new ATOM 0 HG13 VAL B 54 38.890 25.753 24.860 1.00 40.58 H new ATOM 0 HG21 VAL B 54 36.185 24.324 25.214 1.00 39.92 H new ATOM 0 HG22 VAL B 54 37.337 24.539 26.554 1.00 39.92 H new ATOM 0 HG23 VAL B 54 35.665 25.128 26.714 1.00 39.92 H new ATOM 1963 N VAL B 55 37.629 29.184 24.996 1.00 40.13 N ATOM 1964 CA VAL B 55 38.360 30.305 24.347 1.00 42.29 C ATOM 1965 C VAL B 55 38.794 31.319 25.408 1.00 43.82 C ATOM 1966 O VAL B 55 39.964 31.619 25.542 1.00 43.78 O ATOM 1967 CB VAL B 55 37.433 30.968 23.316 1.00 41.62 C ATOM 1968 CG1 VAL B 55 38.176 32.076 22.552 1.00 42.45 C ATOM 1969 CG2 VAL B 55 36.962 29.902 22.327 1.00 41.12 C ATOM 0 H VAL B 55 36.680 29.033 24.653 1.00 40.13 H new ATOM 0 HA VAL B 55 39.251 29.931 23.843 1.00 42.29 H new ATOM 0 HB VAL B 55 36.583 31.414 23.833 1.00 41.62 H new ATOM 0 HG11 VAL B 55 37.502 32.533 21.827 1.00 42.45 H new ATOM 0 HG12 VAL B 55 38.521 32.834 23.255 1.00 42.45 H new ATOM 0 HG13 VAL B 55 39.033 31.648 22.032 1.00 42.45 H new ATOM 0 HG21 VAL B 55 36.303 30.357 21.588 1.00 41.12 H new ATOM 0 HG22 VAL B 55 37.825 29.466 21.824 1.00 41.12 H new ATOM 0 HG23 VAL B 55 36.422 29.121 22.863 1.00 41.12 H new ATOM 1979 N ASN B 56 37.874 31.855 26.164 1.00 44.48 N ATOM 1980 CA ASN B 56 38.278 32.847 27.203 1.00 47.06 C ATOM 1981 C ASN B 56 39.364 32.215 28.073 1.00 47.69 C ATOM 1982 O ASN B 56 40.392 32.806 28.336 1.00 47.82 O ATOM 1983 CB ASN B 56 37.040 33.271 28.046 1.00 46.90 C ATOM 1984 CG ASN B 56 37.078 32.716 29.483 1.00 47.81 C ATOM 1985 OD1 ASN B 56 38.062 32.858 30.182 1.00 48.43 O ATOM 1986 ND2 ASN B 56 36.031 32.107 29.961 1.00 47.03 N ATOM 0 H ASN B 56 36.876 31.654 26.110 1.00 44.48 H new ATOM 0 HA ASN B 56 38.676 33.749 26.739 1.00 47.06 H new ATOM 0 HB2 ASN B 56 36.987 34.359 28.083 1.00 46.90 H new ATOM 0 HB3 ASN B 56 36.133 32.924 27.551 1.00 46.90 H new ATOM 0 HD21 ASN B 56 36.040 31.752 30.917 1.00 47.03 H new ATOM 0 HD22 ASN B 56 35.202 31.985 29.379 1.00 47.03 H new ATOM 1993 N GLU B 57 39.136 31.015 28.522 1.00 49.57 N ATOM 1994 CA GLU B 57 40.146 30.342 29.373 1.00 51.35 C ATOM 1995 C GLU B 57 41.504 30.407 28.676 1.00 52.18 C ATOM 1996 O GLU B 57 42.502 30.767 29.268 1.00 52.13 O ATOM 1997 CB GLU B 57 39.741 28.881 29.585 1.00 52.66 C ATOM 1998 CG GLU B 57 40.682 28.216 30.592 1.00 53.83 C ATOM 1999 CD GLU B 57 40.420 26.709 30.617 1.00 55.85 C ATOM 2000 OE1 GLU B 57 40.101 26.166 29.572 1.00 56.34 O ATOM 2001 OE2 GLU B 57 40.544 26.124 31.680 1.00 57.10 O ATOM 0 H GLU B 57 38.293 30.473 28.335 1.00 49.57 H new ATOM 0 HA GLU B 57 40.208 30.839 30.341 1.00 51.35 H new ATOM 0 HB2 GLU B 57 38.714 28.829 29.946 1.00 52.66 H new ATOM 0 HB3 GLU B 57 39.773 28.345 28.636 1.00 52.66 H new ATOM 0 HG2 GLU B 57 41.719 28.411 30.320 1.00 53.83 H new ATOM 0 HG3 GLU B 57 40.528 28.639 31.585 1.00 53.83 H new