USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 823 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 31 TYR OH : rot 180:sc= 0.416 USER MOD Set 1.2: B 35 LYS NZ :NH3+ 178:sc= 0.447 (180deg=0) USER MOD Set 2.1: B 22 TYR OH : rot 112:sc= 0.211 USER MOD Set 2.2: B 52 GLN :FLIP amide:sc= -5.42! C(o=-5.9!,f=-5.2!) USER MOD Set 3.1: B 19 LYS NZ :NH3+ -128:sc= -2.35 (180deg=-5.09!) USER MOD Set 3.2: B 45 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 22 TYR OH : rot 102:sc= 0.0388 USER MOD Set 4.2: A 52 GLN :FLIP amide:sc= -5.05! C(o=-6.5!,f=-5!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -62:sc= -0.444 USER MOD Single : A 14 GLN : amide:sc= -0.0336 K(o=-0.034,f=-1.2!) USER MOD Single : A 15 LYS NZ :NH3+ -156:sc= -0.0366 (180deg=-0.283) USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= -0.052 (180deg=-0.449) USER MOD Single : A 27 MET CE :methyl -109:sc= -0.028 (180deg=-2.42!) USER MOD Single : A 30 MET CE :methyl -153:sc= -0.147 (180deg=-2.83) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= -0.0918 (180deg=-0.0918) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.247 F(o=-0.9,f=-0.25) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.03 K(o=-1,f=-3.6!) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot -56:sc= -1.29 USER MOD Single : B 14 GLN : amide:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 MET CE :methyl -104:sc= -0.0354 (180deg=-3.48!) USER MOD Single : B 30 MET CE :methyl -167:sc= -0.0454 (180deg=-0.733) USER MOD Single : B 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 44.533 22.853 22.614 1.00 0.27 N ATOM 107 CA PHE A 9 43.126 22.859 22.133 1.00 0.25 C ATOM 108 C PHE A 9 42.845 24.201 21.457 1.00 0.25 C ATOM 109 O PHE A 9 42.152 24.274 20.462 1.00 0.36 O ATOM 110 CB PHE A 9 42.183 22.656 23.325 1.00 0.23 C ATOM 111 CG PHE A 9 40.846 22.163 22.833 1.00 0.19 C ATOM 112 CD1 PHE A 9 39.869 23.078 22.434 1.00 0.20 C ATOM 113 CD2 PHE A 9 40.590 20.789 22.769 1.00 0.19 C ATOM 114 CE1 PHE A 9 38.634 22.620 21.971 1.00 0.21 C ATOM 115 CE2 PHE A 9 39.353 20.331 22.303 1.00 0.19 C ATOM 116 CZ PHE A 9 38.376 21.249 21.904 1.00 0.20 C ATOM 0 HA PHE A 9 42.966 22.053 21.417 1.00 0.25 H new ATOM 0 HB2 PHE A 9 42.612 21.938 24.023 1.00 0.23 H new ATOM 0 HB3 PHE A 9 42.059 23.593 23.868 1.00 0.23 H new ATOM 0 HD1 PHE A 9 40.069 24.138 22.484 1.00 0.20 H new ATOM 0 HD2 PHE A 9 41.346 20.083 23.079 1.00 0.19 H new ATOM 0 HE1 PHE A 9 37.877 23.327 21.664 1.00 0.21 H new ATOM 0 HE2 PHE A 9 39.153 19.271 22.251 1.00 0.19 H new ATOM 0 HZ PHE A 9 37.421 20.897 21.544 1.00 0.20 H new ATOM 126 N LEU A 10 43.391 25.263 21.983 1.00 0.21 N ATOM 127 CA LEU A 10 43.171 26.595 21.361 1.00 0.21 C ATOM 128 C LEU A 10 43.979 26.668 20.065 1.00 0.22 C ATOM 129 O LEU A 10 43.616 27.355 19.131 1.00 0.27 O ATOM 130 CB LEU A 10 43.636 27.698 22.314 1.00 0.24 C ATOM 131 CG LEU A 10 42.998 27.501 23.694 1.00 0.27 C ATOM 132 CD1 LEU A 10 43.616 28.492 24.680 1.00 0.31 C ATOM 133 CD2 LEU A 10 41.484 27.741 23.612 1.00 0.28 C ATOM 0 H LEU A 10 43.979 25.264 22.816 1.00 0.21 H new ATOM 0 HA LEU A 10 42.110 26.733 21.151 1.00 0.21 H new ATOM 0 HB2 LEU A 10 44.722 27.681 22.401 1.00 0.24 H new ATOM 0 HB3 LEU A 10 43.363 28.675 21.914 1.00 0.24 H new ATOM 0 HG LEU A 10 43.179 26.480 24.031 1.00 0.27 H new ATOM 0 HD11 LEU A 10 43.165 28.356 25.663 1.00 0.31 H new ATOM 0 HD12 LEU A 10 44.690 28.318 24.746 1.00 0.31 H new ATOM 0 HD13 LEU A 10 43.434 29.510 24.335 1.00 0.31 H new ATOM 0 HD21 LEU A 10 41.039 27.599 24.597 1.00 0.28 H new ATOM 0 HD22 LEU A 10 41.295 28.759 23.272 1.00 0.28 H new ATOM 0 HD23 LEU A 10 41.041 27.036 22.909 1.00 0.28 H new ATOM 145 N ASP A 11 45.073 25.956 20.001 1.00 0.21 N ATOM 146 CA ASP A 11 45.904 25.976 18.765 1.00 0.23 C ATOM 147 C ASP A 11 45.089 25.407 17.602 1.00 0.20 C ATOM 148 O ASP A 11 44.902 26.052 16.591 1.00 0.29 O ATOM 149 CB ASP A 11 47.165 25.130 18.971 1.00 0.27 C ATOM 150 CG ASP A 11 48.085 25.821 19.979 1.00 1.08 C ATOM 151 OD1 ASP A 11 47.612 26.703 20.677 1.00 1.64 O ATOM 152 OD2 ASP A 11 49.248 25.457 20.035 1.00 1.92 O ATOM 0 H ASP A 11 45.426 25.362 20.752 1.00 0.21 H new ATOM 0 HA ASP A 11 46.197 27.002 18.542 1.00 0.23 H new ATOM 0 HB2 ASP A 11 46.895 24.137 19.331 1.00 0.27 H new ATOM 0 HB3 ASP A 11 47.684 24.995 18.022 1.00 0.27 H new ATOM 157 N TYR A 12 44.598 24.202 17.735 1.00 0.14 N ATOM 158 CA TYR A 12 43.796 23.605 16.633 1.00 0.12 C ATOM 159 C TYR A 12 42.731 24.605 16.184 1.00 0.11 C ATOM 160 O TYR A 12 42.646 24.964 15.027 1.00 0.15 O ATOM 161 CB TYR A 12 43.117 22.318 17.125 1.00 0.12 C ATOM 162 CG TYR A 12 44.163 21.245 17.368 1.00 0.16 C ATOM 163 CD1 TYR A 12 44.948 20.774 16.308 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.346 20.720 18.654 1.00 0.20 C ATOM 165 CE1 TYR A 12 45.912 19.784 16.534 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.309 19.730 18.879 1.00 0.27 C ATOM 167 CZ TYR A 12 46.092 19.262 17.819 1.00 0.30 C ATOM 168 OH TYR A 12 47.043 18.287 18.042 1.00 0.37 O ATOM 0 H TYR A 12 44.719 23.610 18.557 1.00 0.14 H new ATOM 0 HA TYR A 12 44.451 23.367 15.795 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.565 22.516 18.044 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.393 21.973 16.387 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.810 21.175 15.315 1.00 0.22 H new ATOM 0 HD2 TYR A 12 43.742 21.080 19.474 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.517 19.423 15.715 1.00 0.28 H new ATOM 0 HE2 TYR A 12 45.448 19.327 19.871 1.00 0.27 H new ATOM 0 HH TYR A 12 47.038 18.036 18.989 1.00 0.37 H new ATOM 178 N CYS A 13 41.924 25.062 17.097 1.00 0.12 N ATOM 179 CA CYS A 13 40.866 26.046 16.742 1.00 0.15 C ATOM 180 C CYS A 13 41.472 27.150 15.874 1.00 0.16 C ATOM 181 O CYS A 13 40.911 27.542 14.870 1.00 0.19 O ATOM 182 CB CYS A 13 40.297 26.655 18.023 1.00 0.19 C ATOM 183 SG CYS A 13 39.346 25.401 18.916 1.00 1.38 S ATOM 0 H CYS A 13 41.952 24.795 18.081 1.00 0.12 H new ATOM 0 HA CYS A 13 40.069 25.548 16.190 1.00 0.15 H new ATOM 0 HB2 CYS A 13 41.106 27.029 18.651 1.00 0.19 H new ATOM 0 HB3 CYS A 13 39.660 27.506 17.782 1.00 0.19 H new ATOM 0 HG CYS A 13 38.350 25.006 18.180 1.00 1.38 H new ATOM 189 N GLN A 14 42.619 27.646 16.249 1.00 0.17 N ATOM 190 CA GLN A 14 43.269 28.716 15.440 1.00 0.21 C ATOM 191 C GLN A 14 43.262 28.302 13.966 1.00 0.21 C ATOM 192 O GLN A 14 43.045 29.111 13.086 1.00 0.28 O ATOM 193 CB GLN A 14 44.713 28.912 15.913 1.00 0.25 C ATOM 194 CG GLN A 14 45.247 30.246 15.386 1.00 0.64 C ATOM 195 CD GLN A 14 46.759 30.312 15.605 1.00 0.78 C ATOM 196 OE1 GLN A 14 47.444 29.314 15.500 1.00 1.68 O ATOM 197 NE2 GLN A 14 47.313 31.454 15.907 1.00 1.31 N ATOM 0 H GLN A 14 43.134 27.357 17.080 1.00 0.17 H new ATOM 0 HA GLN A 14 42.723 29.652 15.561 1.00 0.21 H new ATOM 0 HB2 GLN A 14 44.755 28.896 17.002 1.00 0.25 H new ATOM 0 HB3 GLN A 14 45.338 28.092 15.558 1.00 0.25 H new ATOM 0 HG2 GLN A 14 45.018 30.348 14.325 1.00 0.64 H new ATOM 0 HG3 GLN A 14 44.758 31.074 15.899 1.00 0.64 H new ATOM 0 HE21 GLN A 14 46.738 32.292 15.995 1.00 1.31 H new ATOM 0 HE22 GLN A 14 48.321 31.509 16.055 1.00 1.31 H new ATOM 206 N LYS A 15 43.488 27.044 13.692 1.00 0.20 N ATOM 207 CA LYS A 15 43.481 26.583 12.277 1.00 0.22 C ATOM 208 C LYS A 15 42.035 26.549 11.778 1.00 0.19 C ATOM 209 O LYS A 15 41.680 27.213 10.825 1.00 0.22 O ATOM 210 CB LYS A 15 44.106 25.186 12.184 1.00 0.25 C ATOM 211 CG LYS A 15 45.624 25.300 12.389 1.00 0.57 C ATOM 212 CD LYS A 15 46.325 23.968 12.060 1.00 1.16 C ATOM 213 CE LYS A 15 46.303 23.046 13.280 1.00 1.52 C ATOM 214 NZ LYS A 15 47.269 23.547 14.298 1.00 2.24 N ATOM 0 H LYS A 15 43.676 26.320 14.385 1.00 0.20 H new ATOM 0 HA LYS A 15 44.064 27.266 11.659 1.00 0.22 H new ATOM 0 HB2 LYS A 15 43.673 24.529 12.939 1.00 0.25 H new ATOM 0 HB3 LYS A 15 43.890 24.741 11.213 1.00 0.25 H new ATOM 0 HG2 LYS A 15 46.022 26.092 11.754 1.00 0.57 H new ATOM 0 HG3 LYS A 15 45.836 25.582 13.420 1.00 0.57 H new ATOM 0 HD2 LYS A 15 45.827 23.484 11.220 1.00 1.16 H new ATOM 0 HD3 LYS A 15 47.355 24.156 11.755 1.00 1.16 H new ATOM 0 HE2 LYS A 15 45.299 23.009 13.703 1.00 1.52 H new ATOM 0 HE3 LYS A 15 46.563 22.029 12.986 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 47.563 22.762 14.914 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 48.103 23.943 13.820 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 46.816 24.286 14.872 1.00 2.24 H new ATOM 228 N LEU A 16 41.192 25.796 12.429 1.00 0.15 N ATOM 229 CA LEU A 16 39.764 25.732 12.015 1.00 0.13 C ATOM 230 C LEU A 16 39.239 27.158 11.793 1.00 0.13 C ATOM 231 O LEU A 16 38.286 27.380 11.075 1.00 0.17 O ATOM 232 CB LEU A 16 38.973 25.046 13.151 1.00 0.11 C ATOM 233 CG LEU A 16 37.858 24.142 12.595 1.00 0.14 C ATOM 234 CD1 LEU A 16 38.456 22.857 12.005 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.902 23.778 13.737 1.00 0.17 C ATOM 0 H LEU A 16 41.434 25.219 13.235 1.00 0.15 H new ATOM 0 HA LEU A 16 39.651 25.169 11.088 1.00 0.13 H new ATOM 0 HB2 LEU A 16 39.653 24.453 13.763 1.00 0.11 H new ATOM 0 HB3 LEU A 16 38.538 25.804 13.802 1.00 0.11 H new ATOM 0 HG LEU A 16 37.323 24.673 11.808 1.00 0.14 H new ATOM 0 HD11 LEU A 16 37.655 22.228 11.616 1.00 0.26 H new ATOM 0 HD12 LEU A 16 39.142 23.112 11.197 1.00 0.26 H new ATOM 0 HD13 LEU A 16 38.996 22.317 12.782 1.00 0.26 H new ATOM 0 HD21 LEU A 16 36.107 23.137 13.356 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.451 23.250 14.517 1.00 0.17 H new ATOM 0 HD23 LEU A 16 36.467 24.688 14.152 1.00 0.17 H new ATOM 247 N LEU A 17 39.848 28.119 12.430 1.00 0.12 N ATOM 248 CA LEU A 17 39.389 29.528 12.291 1.00 0.13 C ATOM 249 C LEU A 17 39.985 30.178 11.036 1.00 0.15 C ATOM 250 O LEU A 17 39.268 30.640 10.171 1.00 0.22 O ATOM 251 CB LEU A 17 39.831 30.310 13.534 1.00 0.12 C ATOM 252 CG LEU A 17 39.001 31.604 13.675 1.00 0.12 C ATOM 253 CD1 LEU A 17 37.694 31.308 14.422 1.00 0.12 C ATOM 254 CD2 LEU A 17 39.789 32.653 14.469 1.00 0.13 C ATOM 0 H LEU A 17 40.650 27.987 13.046 1.00 0.12 H new ATOM 0 HA LEU A 17 38.303 29.542 12.197 1.00 0.13 H new ATOM 0 HB2 LEU A 17 39.708 29.692 14.424 1.00 0.12 H new ATOM 0 HB3 LEU A 17 40.890 30.555 13.460 1.00 0.12 H new ATOM 0 HG LEU A 17 38.783 31.983 12.677 1.00 0.12 H new ATOM 0 HD11 LEU A 17 37.114 32.226 14.518 1.00 0.12 H new ATOM 0 HD12 LEU A 17 37.116 30.570 13.866 1.00 0.12 H new ATOM 0 HD13 LEU A 17 37.922 30.918 15.414 1.00 0.12 H new ATOM 0 HD21 LEU A 17 39.194 33.561 14.562 1.00 0.13 H new ATOM 0 HD22 LEU A 17 40.015 32.264 15.462 1.00 0.13 H new ATOM 0 HD23 LEU A 17 40.719 32.880 13.948 1.00 0.13 H new ATOM 266 N GLU A 18 41.285 30.238 10.934 1.00 0.20 N ATOM 267 CA GLU A 18 41.901 30.881 9.742 1.00 0.25 C ATOM 268 C GLU A 18 41.536 30.097 8.480 1.00 0.21 C ATOM 269 O GLU A 18 41.319 30.665 7.428 1.00 0.25 O ATOM 270 CB GLU A 18 43.418 30.920 9.920 1.00 0.32 C ATOM 271 CG GLU A 18 44.004 29.503 9.795 1.00 1.41 C ATOM 272 CD GLU A 18 44.382 29.212 8.337 1.00 2.13 C ATOM 273 OE1 GLU A 18 44.965 30.082 7.712 1.00 2.77 O ATOM 274 OE2 GLU A 18 44.080 28.124 7.874 1.00 2.62 O ATOM 0 H GLU A 18 41.943 29.871 11.622 1.00 0.20 H new ATOM 0 HA GLU A 18 41.524 31.899 9.639 1.00 0.25 H new ATOM 0 HB2 GLU A 18 43.863 31.573 9.169 1.00 0.32 H new ATOM 0 HB3 GLU A 18 43.666 31.340 10.895 1.00 0.32 H new ATOM 0 HG2 GLU A 18 44.883 29.408 10.432 1.00 1.41 H new ATOM 0 HG3 GLU A 18 43.277 28.769 10.143 1.00 1.41 H new ATOM 281 N LYS A 19 41.460 28.799 8.575 1.00 0.20 N ATOM 282 CA LYS A 19 41.102 27.990 7.380 1.00 0.20 C ATOM 283 C LYS A 19 39.764 28.488 6.835 1.00 0.18 C ATOM 284 O LYS A 19 39.634 28.796 5.667 1.00 0.24 O ATOM 285 CB LYS A 19 40.997 26.518 7.784 1.00 0.22 C ATOM 286 CG LYS A 19 41.042 25.630 6.541 1.00 0.30 C ATOM 287 CD LYS A 19 40.754 24.185 6.950 1.00 0.37 C ATOM 288 CE LYS A 19 40.911 23.265 5.739 1.00 0.92 C ATOM 289 NZ LYS A 19 39.945 23.669 4.680 1.00 1.77 N ATOM 0 H LYS A 19 41.630 28.265 9.427 1.00 0.20 H new ATOM 0 HA LYS A 19 41.865 28.090 6.608 1.00 0.20 H new ATOM 0 HB2 LYS A 19 41.814 26.258 8.457 1.00 0.22 H new ATOM 0 HB3 LYS A 19 40.069 26.347 8.329 1.00 0.22 H new ATOM 0 HG2 LYS A 19 40.307 25.968 5.810 1.00 0.30 H new ATOM 0 HG3 LYS A 19 42.020 25.699 6.065 1.00 0.30 H new ATOM 0 HD2 LYS A 19 41.437 23.878 7.743 1.00 0.37 H new ATOM 0 HD3 LYS A 19 39.744 24.105 7.351 1.00 0.37 H new ATOM 0 HE2 LYS A 19 41.930 23.320 5.357 1.00 0.92 H new ATOM 0 HE3 LYS A 19 40.736 22.229 6.030 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 39.841 22.896 3.992 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 39.021 23.874 5.112 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 40.297 24.520 4.196 1.00 1.77 H new ATOM 303 N PHE A 20 38.775 28.593 7.679 1.00 0.16 N ATOM 304 CA PHE A 20 37.453 29.097 7.227 1.00 0.16 C ATOM 305 C PHE A 20 37.478 30.626 7.292 1.00 0.19 C ATOM 306 O PHE A 20 36.474 31.290 7.123 1.00 0.30 O ATOM 307 CB PHE A 20 36.372 28.549 8.156 1.00 0.14 C ATOM 308 CG PHE A 20 36.138 27.087 7.851 1.00 0.13 C ATOM 309 CD1 PHE A 20 37.024 26.133 8.358 1.00 0.13 C ATOM 310 CD2 PHE A 20 35.049 26.680 7.059 1.00 0.13 C ATOM 311 CE1 PHE A 20 36.832 24.777 8.083 1.00 0.12 C ATOM 312 CE2 PHE A 20 34.860 25.320 6.783 1.00 0.13 C ATOM 313 CZ PHE A 20 35.753 24.370 7.296 1.00 0.12 C ATOM 0 H PHE A 20 38.829 28.349 8.668 1.00 0.16 H new ATOM 0 HA PHE A 20 37.241 28.776 6.207 1.00 0.16 H new ATOM 0 HB2 PHE A 20 36.676 28.670 9.196 1.00 0.14 H new ATOM 0 HB3 PHE A 20 35.447 29.111 8.026 1.00 0.14 H new ATOM 0 HD1 PHE A 20 37.861 26.445 8.965 1.00 0.13 H new ATOM 0 HD2 PHE A 20 34.361 27.414 6.665 1.00 0.13 H new ATOM 0 HE1 PHE A 20 37.518 24.043 8.479 1.00 0.12 H new ATOM 0 HE2 PHE A 20 34.026 25.003 6.175 1.00 0.13 H new ATOM 0 HZ PHE A 20 35.606 23.322 7.082 1.00 0.12 H new ATOM 323 N ARG A 21 38.638 31.180 7.529 1.00 0.18 N ATOM 324 CA ARG A 21 38.781 32.665 7.601 1.00 0.21 C ATOM 325 C ARG A 21 37.723 33.280 8.528 1.00 0.18 C ATOM 326 O ARG A 21 37.181 34.328 8.238 1.00 0.19 O ATOM 327 CB ARG A 21 38.621 33.266 6.197 1.00 0.29 C ATOM 328 CG ARG A 21 39.671 32.671 5.223 1.00 0.65 C ATOM 329 CD ARG A 21 39.013 31.639 4.302 1.00 1.12 C ATOM 330 NE ARG A 21 38.117 32.338 3.337 1.00 1.93 N ATOM 331 CZ ARG A 21 37.683 31.711 2.277 1.00 2.67 C ATOM 332 NH1 ARG A 21 38.033 30.473 2.062 1.00 2.95 N ATOM 333 NH2 ARG A 21 36.899 32.324 1.433 1.00 3.64 N ATOM 0 H ARG A 21 39.503 30.661 7.678 1.00 0.18 H new ATOM 0 HA ARG A 21 39.770 32.890 8.000 1.00 0.21 H new ATOM 0 HB2 ARG A 21 37.617 33.067 5.823 1.00 0.29 H new ATOM 0 HB3 ARG A 21 38.734 34.349 6.245 1.00 0.29 H new ATOM 0 HG2 ARG A 21 40.118 33.467 4.628 1.00 0.65 H new ATOM 0 HG3 ARG A 21 40.478 32.203 5.788 1.00 0.65 H new ATOM 0 HD2 ARG A 21 39.776 31.076 3.765 1.00 1.12 H new ATOM 0 HD3 ARG A 21 38.442 30.921 4.891 1.00 1.12 H new ATOM 0 HE ARG A 21 37.843 33.306 3.505 1.00 1.93 H new ATOM 0 HH11 ARG A 21 38.646 29.994 2.722 1.00 2.95 H new ATOM 0 HH12 ARG A 21 37.694 29.984 1.234 1.00 2.95 H new ATOM 0 HH21 ARG A 21 36.626 33.292 1.602 1.00 3.64 H new ATOM 0 HH22 ARG A 21 36.560 31.835 0.605 1.00 3.64 H new ATOM 347 N TYR A 22 37.421 32.660 9.642 1.00 0.15 N ATOM 348 CA TYR A 22 36.399 33.253 10.559 1.00 0.13 C ATOM 349 C TYR A 22 37.081 34.316 11.460 1.00 0.14 C ATOM 350 O TYR A 22 38.242 34.166 11.787 1.00 0.15 O ATOM 351 CB TYR A 22 35.816 32.152 11.463 1.00 0.11 C ATOM 352 CG TYR A 22 34.713 31.372 10.757 1.00 0.11 C ATOM 353 CD1 TYR A 22 33.587 32.028 10.222 1.00 0.12 C ATOM 354 CD2 TYR A 22 34.814 29.976 10.650 1.00 0.11 C ATOM 355 CE1 TYR A 22 32.582 31.288 9.588 1.00 0.13 C ATOM 356 CE2 TYR A 22 33.806 29.243 10.015 1.00 0.12 C ATOM 357 CZ TYR A 22 32.692 29.899 9.484 1.00 0.13 C ATOM 358 OH TYR A 22 31.700 29.175 8.861 1.00 0.15 O ATOM 0 H TYR A 22 37.832 31.780 9.953 1.00 0.15 H new ATOM 0 HA TYR A 22 35.605 33.708 9.967 1.00 0.13 H new ATOM 0 HB2 TYR A 22 36.610 31.469 11.764 1.00 0.11 H new ATOM 0 HB3 TYR A 22 35.419 32.600 12.374 1.00 0.11 H new ATOM 0 HD1 TYR A 22 33.499 33.102 10.301 1.00 0.12 H new ATOM 0 HD2 TYR A 22 35.673 29.466 11.060 1.00 0.11 H new ATOM 0 HE1 TYR A 22 31.719 31.792 9.178 1.00 0.13 H new ATOM 0 HE2 TYR A 22 33.889 28.169 9.935 1.00 0.12 H new ATOM 0 HH TYR A 22 31.992 28.930 7.958 1.00 0.15 H new ATOM 368 N PRO A 23 36.349 35.344 11.870 1.00 0.14 N ATOM 369 CA PRO A 23 36.907 36.383 12.762 1.00 0.16 C ATOM 370 C PRO A 23 37.331 35.749 14.101 1.00 0.16 C ATOM 371 O PRO A 23 37.151 34.570 14.326 1.00 0.15 O ATOM 372 CB PRO A 23 35.761 37.400 12.965 1.00 0.17 C ATOM 373 CG PRO A 23 34.497 36.812 12.282 1.00 0.15 C ATOM 374 CD PRO A 23 34.940 35.566 11.484 1.00 0.14 C ATOM 0 HA PRO A 23 37.793 36.862 12.345 1.00 0.16 H new ATOM 0 HB2 PRO A 23 35.581 37.569 14.027 1.00 0.17 H new ATOM 0 HB3 PRO A 23 36.021 38.364 12.528 1.00 0.17 H new ATOM 0 HG2 PRO A 23 33.748 36.544 13.027 1.00 0.15 H new ATOM 0 HG3 PRO A 23 34.040 37.549 11.621 1.00 0.15 H new ATOM 0 HD2 PRO A 23 34.323 34.701 11.728 1.00 0.14 H new ATOM 0 HD3 PRO A 23 34.846 35.731 10.411 1.00 0.14 H new ATOM 382 N TRP A 24 37.905 36.530 14.977 1.00 0.18 N ATOM 383 CA TRP A 24 38.363 35.989 16.295 1.00 0.19 C ATOM 384 C TRP A 24 37.195 35.852 17.284 1.00 0.19 C ATOM 385 O TRP A 24 37.321 35.205 18.305 1.00 0.21 O ATOM 386 CB TRP A 24 39.411 36.937 16.884 1.00 0.21 C ATOM 387 CG TRP A 24 39.834 36.442 18.231 1.00 0.28 C ATOM 388 CD1 TRP A 24 39.378 36.920 19.411 1.00 0.34 C ATOM 389 CD2 TRP A 24 40.783 35.386 18.556 1.00 0.33 C ATOM 390 NE1 TRP A 24 39.985 36.223 20.440 1.00 0.42 N ATOM 391 CE2 TRP A 24 40.859 35.267 19.963 1.00 0.42 C ATOM 392 CE3 TRP A 24 41.576 34.527 17.773 1.00 0.35 C ATOM 393 CZ2 TRP A 24 41.693 34.330 20.574 1.00 0.50 C ATOM 394 CZ3 TRP A 24 42.416 33.582 18.385 1.00 0.45 C ATOM 395 CH2 TRP A 24 42.474 33.484 19.783 1.00 0.52 C ATOM 0 H TRP A 24 38.078 37.525 14.837 1.00 0.18 H new ATOM 0 HA TRP A 24 38.787 34.998 16.131 1.00 0.19 H new ATOM 0 HB2 TRP A 24 40.274 36.999 16.221 1.00 0.21 H new ATOM 0 HB3 TRP A 24 39.000 37.943 16.968 1.00 0.21 H new ATOM 0 HD1 TRP A 24 38.658 37.716 19.530 1.00 0.34 H new ATOM 0 HE1 TRP A 24 39.808 36.394 21.430 1.00 0.42 H new ATOM 0 HE3 TRP A 24 41.539 34.595 16.696 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 41.734 34.259 21.651 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 43.021 32.927 17.775 1.00 0.45 H new ATOM 0 HH2 TRP A 24 43.122 32.755 20.247 1.00 0.52 H new ATOM 406 N GLU A 25 36.072 36.461 17.019 1.00 0.18 N ATOM 407 CA GLU A 25 34.934 36.356 17.984 1.00 0.21 C ATOM 408 C GLU A 25 34.243 34.988 17.860 1.00 0.17 C ATOM 409 O GLU A 25 33.464 34.607 18.711 1.00 0.20 O ATOM 410 CB GLU A 25 33.919 37.482 17.712 1.00 0.29 C ATOM 411 CG GLU A 25 33.868 37.788 16.208 1.00 1.15 C ATOM 412 CD GLU A 25 32.532 38.452 15.857 1.00 1.55 C ATOM 413 OE1 GLU A 25 31.538 37.747 15.808 1.00 1.97 O ATOM 414 OE2 GLU A 25 32.528 39.653 15.643 1.00 2.18 O ATOM 0 H GLU A 25 35.891 37.022 16.186 1.00 0.18 H new ATOM 0 HA GLU A 25 35.324 36.455 18.997 1.00 0.21 H new ATOM 0 HB2 GLU A 25 32.931 37.186 18.065 1.00 0.29 H new ATOM 0 HB3 GLU A 25 34.200 38.378 18.265 1.00 0.29 H new ATOM 0 HG2 GLU A 25 34.694 38.444 15.933 1.00 1.15 H new ATOM 0 HG3 GLU A 25 33.988 36.868 15.636 1.00 1.15 H new ATOM 421 N LEU A 26 34.506 34.248 16.813 1.00 0.13 N ATOM 422 CA LEU A 26 33.841 32.912 16.655 1.00 0.11 C ATOM 423 C LEU A 26 34.733 31.801 17.205 1.00 0.10 C ATOM 424 O LEU A 26 34.673 30.673 16.758 1.00 0.11 O ATOM 425 CB LEU A 26 33.570 32.642 15.175 1.00 0.10 C ATOM 426 CG LEU A 26 32.947 33.876 14.520 1.00 0.10 C ATOM 427 CD1 LEU A 26 32.415 33.489 13.141 1.00 0.11 C ATOM 428 CD2 LEU A 26 31.792 34.406 15.380 1.00 0.12 C ATOM 0 H LEU A 26 35.148 34.506 16.063 1.00 0.13 H new ATOM 0 HA LEU A 26 32.903 32.927 17.210 1.00 0.11 H new ATOM 0 HB2 LEU A 26 34.500 32.382 14.669 1.00 0.10 H new ATOM 0 HB3 LEU A 26 32.901 31.788 15.070 1.00 0.10 H new ATOM 0 HG LEU A 26 33.703 34.655 14.426 1.00 0.10 H new ATOM 0 HD11 LEU A 26 31.968 34.362 12.665 1.00 0.11 H new ATOM 0 HD12 LEU A 26 33.235 33.120 12.525 1.00 0.11 H new ATOM 0 HD13 LEU A 26 31.661 32.709 13.248 1.00 0.11 H new ATOM 0 HD21 LEU A 26 31.357 35.284 14.903 1.00 0.12 H new ATOM 0 HD22 LEU A 26 31.030 33.633 15.482 1.00 0.12 H new ATOM 0 HD23 LEU A 26 32.168 34.677 16.367 1.00 0.12 H new ATOM 440 N MET A 27 35.556 32.096 18.170 1.00 0.12 N ATOM 441 CA MET A 27 36.432 31.038 18.730 1.00 0.13 C ATOM 442 C MET A 27 35.611 30.026 19.576 1.00 0.11 C ATOM 443 O MET A 27 35.910 28.849 19.537 1.00 0.13 O ATOM 444 CB MET A 27 37.550 31.682 19.580 1.00 0.18 C ATOM 445 CG MET A 27 38.757 32.013 18.694 1.00 0.19 C ATOM 446 SD MET A 27 39.647 30.489 18.298 1.00 1.17 S ATOM 447 CE MET A 27 40.695 30.452 19.772 1.00 0.31 C ATOM 0 H MET A 27 35.658 33.019 18.592 1.00 0.12 H new ATOM 0 HA MET A 27 36.886 30.488 17.906 1.00 0.13 H new ATOM 0 HB2 MET A 27 37.179 32.589 20.057 1.00 0.18 H new ATOM 0 HB3 MET A 27 37.849 31.002 20.378 1.00 0.18 H new ATOM 0 HG2 MET A 27 38.426 32.503 17.778 1.00 0.19 H new ATOM 0 HG3 MET A 27 39.419 32.711 19.207 1.00 0.19 H new ATOM 0 HE1 MET A 27 41.724 30.678 19.493 1.00 0.31 H new ATOM 0 HE2 MET A 27 40.342 31.194 20.488 1.00 0.31 H new ATOM 0 HE3 MET A 27 40.651 29.461 20.225 1.00 0.31 H new ATOM 457 N PRO A 28 34.609 30.477 20.325 1.00 0.10 N ATOM 458 CA PRO A 28 33.802 29.554 21.159 1.00 0.09 C ATOM 459 C PRO A 28 33.150 28.457 20.308 1.00 0.10 C ATOM 460 O PRO A 28 32.852 27.388 20.796 1.00 0.19 O ATOM 461 CB PRO A 28 32.747 30.456 21.834 1.00 0.09 C ATOM 462 CG PRO A 28 33.208 31.918 21.612 1.00 0.11 C ATOM 463 CD PRO A 28 34.195 31.896 20.430 1.00 0.11 C ATOM 0 HA PRO A 28 34.410 29.024 21.892 1.00 0.09 H new ATOM 0 HB2 PRO A 28 31.761 30.290 21.400 1.00 0.09 H new ATOM 0 HB3 PRO A 28 32.669 30.232 22.898 1.00 0.09 H new ATOM 0 HG2 PRO A 28 32.357 32.563 21.394 1.00 0.11 H new ATOM 0 HG3 PRO A 28 33.686 32.313 22.508 1.00 0.11 H new ATOM 0 HD2 PRO A 28 33.722 32.242 19.511 1.00 0.11 H new ATOM 0 HD3 PRO A 28 35.050 32.547 20.613 1.00 0.11 H new ATOM 471 N LEU A 29 32.928 28.696 19.047 1.00 0.11 N ATOM 472 CA LEU A 29 32.308 27.636 18.200 1.00 0.09 C ATOM 473 C LEU A 29 33.415 26.706 17.721 1.00 0.10 C ATOM 474 O LEU A 29 33.353 25.507 17.904 1.00 0.19 O ATOM 475 CB LEU A 29 31.590 28.269 17.006 1.00 0.08 C ATOM 476 CG LEU A 29 30.569 29.300 17.505 1.00 0.08 C ATOM 477 CD1 LEU A 29 30.131 30.186 16.338 1.00 0.09 C ATOM 478 CD2 LEU A 29 29.340 28.585 18.082 1.00 0.08 C ATOM 0 H LEU A 29 33.146 29.570 18.568 1.00 0.11 H new ATOM 0 HA LEU A 29 31.572 27.075 18.776 1.00 0.09 H new ATOM 0 HB2 LEU A 29 32.313 28.749 16.347 1.00 0.08 H new ATOM 0 HB3 LEU A 29 31.087 27.499 16.421 1.00 0.08 H new ATOM 0 HG LEU A 29 31.030 29.910 18.282 1.00 0.08 H new ATOM 0 HD11 LEU A 29 29.406 30.919 16.690 1.00 0.09 H new ATOM 0 HD12 LEU A 29 30.999 30.702 15.927 1.00 0.09 H new ATOM 0 HD13 LEU A 29 29.676 29.569 15.563 1.00 0.09 H new ATOM 0 HD21 LEU A 29 28.621 29.325 18.434 1.00 0.08 H new ATOM 0 HD22 LEU A 29 28.880 27.971 17.308 1.00 0.08 H new ATOM 0 HD23 LEU A 29 29.645 27.951 18.915 1.00 0.08 H new ATOM 490 N MET A 30 34.449 27.247 17.143 1.00 0.10 N ATOM 491 CA MET A 30 35.574 26.386 16.696 1.00 0.12 C ATOM 492 C MET A 30 36.020 25.548 17.893 1.00 0.10 C ATOM 493 O MET A 30 36.673 24.533 17.759 1.00 0.11 O ATOM 494 CB MET A 30 36.732 27.267 16.225 1.00 0.16 C ATOM 495 CG MET A 30 36.448 27.778 14.813 1.00 0.19 C ATOM 496 SD MET A 30 34.928 28.768 14.822 1.00 1.16 S ATOM 497 CE MET A 30 34.143 28.048 13.355 1.00 0.20 C ATOM 0 H MET A 30 34.563 28.244 16.962 1.00 0.10 H new ATOM 0 HA MET A 30 35.265 25.742 15.873 1.00 0.12 H new ATOM 0 HB2 MET A 30 36.863 28.107 16.907 1.00 0.16 H new ATOM 0 HB3 MET A 30 37.662 26.699 16.236 1.00 0.16 H new ATOM 0 HG2 MET A 30 37.284 28.380 14.458 1.00 0.19 H new ATOM 0 HG3 MET A 30 36.344 26.939 14.125 1.00 0.19 H new ATOM 0 HE1 MET A 30 33.475 28.781 12.903 1.00 0.20 H new ATOM 0 HE2 MET A 30 34.910 27.764 12.635 1.00 0.20 H new ATOM 0 HE3 MET A 30 33.572 27.166 13.644 1.00 0.20 H new ATOM 507 N TYR A 31 35.653 25.982 19.069 1.00 0.09 N ATOM 508 CA TYR A 31 36.027 25.238 20.300 1.00 0.09 C ATOM 509 C TYR A 31 35.094 24.034 20.460 1.00 0.09 C ATOM 510 O TYR A 31 35.530 22.921 20.677 1.00 0.10 O ATOM 511 CB TYR A 31 35.889 26.171 21.512 1.00 0.09 C ATOM 512 CG TYR A 31 36.002 25.384 22.797 1.00 0.10 C ATOM 513 CD1 TYR A 31 37.255 25.176 23.384 1.00 0.11 C ATOM 514 CD2 TYR A 31 34.850 24.868 23.403 1.00 0.10 C ATOM 515 CE1 TYR A 31 37.357 24.449 24.576 1.00 0.12 C ATOM 516 CE2 TYR A 31 34.951 24.142 24.596 1.00 0.11 C ATOM 517 CZ TYR A 31 36.205 23.932 25.182 1.00 0.12 C ATOM 518 OH TYR A 31 36.306 23.215 26.358 1.00 0.14 O ATOM 0 H TYR A 31 35.105 26.828 19.228 1.00 0.09 H new ATOM 0 HA TYR A 31 37.057 24.889 20.229 1.00 0.09 H new ATOM 0 HB2 TYR A 31 36.663 26.938 21.479 1.00 0.09 H new ATOM 0 HB3 TYR A 31 34.929 26.685 21.476 1.00 0.09 H new ATOM 0 HD1 TYR A 31 38.143 25.576 22.918 1.00 0.11 H new ATOM 0 HD2 TYR A 31 33.883 25.030 22.950 1.00 0.10 H new ATOM 0 HE1 TYR A 31 38.324 24.287 25.028 1.00 0.12 H new ATOM 0 HE2 TYR A 31 34.062 23.744 25.064 1.00 0.11 H new ATOM 0 HH TYR A 31 35.413 22.929 26.645 1.00 0.14 H new ATOM 528 N VAL A 32 33.811 24.252 20.353 1.00 0.09 N ATOM 529 CA VAL A 32 32.849 23.123 20.498 1.00 0.09 C ATOM 530 C VAL A 32 33.020 22.154 19.326 1.00 0.09 C ATOM 531 O VAL A 32 33.178 20.964 19.514 1.00 0.12 O ATOM 532 CB VAL A 32 31.418 23.668 20.509 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.429 22.499 20.554 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.216 24.565 21.740 1.00 0.12 C ATOM 0 H VAL A 32 33.388 25.162 20.172 1.00 0.09 H new ATOM 0 HA VAL A 32 33.043 22.598 21.433 1.00 0.09 H new ATOM 0 HB VAL A 32 31.245 24.255 19.607 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.410 22.885 20.562 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.571 21.868 19.677 1.00 0.09 H new ATOM 0 HG13 VAL A 32 30.601 21.911 21.456 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.197 24.951 21.745 1.00 0.12 H new ATOM 0 HG22 VAL A 32 31.388 23.984 22.646 1.00 0.12 H new ATOM 0 HG23 VAL A 32 31.919 25.397 21.703 1.00 0.12 H new ATOM 544 N ILE A 33 32.992 22.653 18.117 1.00 0.09 N ATOM 545 CA ILE A 33 33.159 21.770 16.929 1.00 0.09 C ATOM 546 C ILE A 33 34.319 20.789 17.178 1.00 0.10 C ATOM 547 O ILE A 33 34.154 19.589 17.084 1.00 0.11 O ATOM 548 CB ILE A 33 33.418 22.672 15.715 1.00 0.09 C ATOM 549 CG1 ILE A 33 32.186 23.568 15.526 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.638 21.846 14.445 1.00 0.10 C ATOM 551 CD1 ILE A 33 32.302 24.373 14.232 1.00 0.09 C ATOM 0 H ILE A 33 32.860 23.641 17.903 1.00 0.09 H new ATOM 0 HA ILE A 33 32.267 21.172 16.744 1.00 0.09 H new ATOM 0 HB ILE A 33 34.317 23.263 15.890 1.00 0.09 H new ATOM 0 HG12 ILE A 33 31.284 22.956 15.501 1.00 0.10 H new ATOM 0 HG13 ILE A 33 32.088 24.245 16.375 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.819 22.514 13.603 1.00 0.10 H new ATOM 0 HG22 ILE A 33 34.500 21.192 14.581 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.752 21.243 14.246 1.00 0.10 H new ATOM 0 HD11 ILE A 33 31.420 25.002 14.115 1.00 0.09 H new ATOM 0 HD12 ILE A 33 33.192 25.000 14.272 1.00 0.09 H new ATOM 0 HD13 ILE A 33 32.377 23.691 13.385 1.00 0.09 H new ATOM 563 N LEU A 34 35.480 21.282 17.520 1.00 0.10 N ATOM 564 CA LEU A 34 36.629 20.370 17.803 1.00 0.11 C ATOM 565 C LEU A 34 36.288 19.528 19.048 1.00 0.13 C ATOM 566 O LEU A 34 36.660 18.378 19.147 1.00 0.20 O ATOM 567 CB LEU A 34 37.889 21.242 18.071 1.00 0.09 C ATOM 568 CG LEU A 34 38.898 21.324 16.867 1.00 0.09 C ATOM 569 CD1 LEU A 34 38.264 20.990 15.502 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.479 22.745 16.804 1.00 0.10 C ATOM 0 H LEU A 34 35.683 22.277 17.616 1.00 0.10 H new ATOM 0 HA LEU A 34 36.821 19.705 16.961 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.568 22.251 18.328 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.412 20.843 18.940 1.00 0.09 H new ATOM 0 HG LEU A 34 39.668 20.575 17.051 1.00 0.09 H new ATOM 0 HD11 LEU A 34 39.020 21.068 14.721 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.867 19.975 15.524 1.00 0.10 H new ATOM 0 HD13 LEU A 34 37.455 21.691 15.295 1.00 0.10 H new ATOM 0 HD21 LEU A 34 40.181 22.815 15.973 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.671 23.462 16.658 1.00 0.10 H new ATOM 0 HD23 LEU A 34 39.998 22.968 17.736 1.00 0.10 H new ATOM 582 N LYS A 35 35.590 20.088 19.994 1.00 0.12 N ATOM 583 CA LYS A 35 35.240 19.311 21.221 1.00 0.15 C ATOM 584 C LYS A 35 34.429 18.070 20.845 1.00 0.21 C ATOM 585 O LYS A 35 34.584 17.017 21.432 1.00 0.29 O ATOM 586 CB LYS A 35 34.414 20.191 22.161 1.00 0.13 C ATOM 587 CG LYS A 35 34.329 19.528 23.536 1.00 0.17 C ATOM 588 CD LYS A 35 33.530 20.421 24.487 1.00 0.26 C ATOM 589 CE LYS A 35 33.722 19.935 25.924 1.00 0.80 C ATOM 590 NZ LYS A 35 32.699 20.569 26.803 1.00 1.49 N ATOM 0 H LYS A 35 35.246 21.048 19.974 1.00 0.12 H new ATOM 0 HA LYS A 35 36.158 18.999 21.718 1.00 0.15 H new ATOM 0 HB2 LYS A 35 34.871 21.177 22.248 1.00 0.13 H new ATOM 0 HB3 LYS A 35 33.414 20.338 21.754 1.00 0.13 H new ATOM 0 HG2 LYS A 35 33.852 18.551 23.451 1.00 0.17 H new ATOM 0 HG3 LYS A 35 35.330 19.361 23.933 1.00 0.17 H new ATOM 0 HD2 LYS A 35 33.860 21.456 24.395 1.00 0.26 H new ATOM 0 HD3 LYS A 35 32.473 20.398 24.222 1.00 0.26 H new ATOM 0 HE2 LYS A 35 33.632 18.850 25.967 1.00 0.80 H new ATOM 0 HE3 LYS A 35 34.723 20.186 26.274 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 32.829 20.239 27.781 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 32.805 21.603 26.770 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 31.748 20.308 26.473 1.00 1.49 H new ATOM 604 N ASP A 36 33.560 18.181 19.880 1.00 0.24 N ATOM 605 CA ASP A 36 32.734 17.005 19.480 1.00 0.32 C ATOM 606 C ASP A 36 33.486 16.161 18.447 1.00 0.26 C ATOM 607 O ASP A 36 33.388 14.950 18.431 1.00 0.36 O ATOM 608 CB ASP A 36 31.421 17.501 18.869 1.00 0.42 C ATOM 609 CG ASP A 36 30.481 17.973 19.981 1.00 0.84 C ATOM 610 OD1 ASP A 36 30.234 17.197 20.890 1.00 1.56 O ATOM 611 OD2 ASP A 36 30.022 19.101 19.904 1.00 1.42 O ATOM 0 H ASP A 36 33.385 19.035 19.350 1.00 0.24 H new ATOM 0 HA ASP A 36 32.530 16.393 20.359 1.00 0.32 H new ATOM 0 HB2 ASP A 36 31.617 18.318 18.174 1.00 0.42 H new ATOM 0 HB3 ASP A 36 30.950 16.702 18.296 1.00 0.42 H new ATOM 616 N ALA A 37 34.218 16.790 17.572 1.00 0.18 N ATOM 617 CA ALA A 37 34.955 16.029 16.528 1.00 0.17 C ATOM 618 C ALA A 37 36.262 15.476 17.087 1.00 0.16 C ATOM 619 O ALA A 37 37.259 15.420 16.395 1.00 0.21 O ATOM 620 CB ALA A 37 35.279 16.974 15.381 1.00 0.19 C ATOM 0 H ALA A 37 34.338 17.802 17.535 1.00 0.18 H new ATOM 0 HA ALA A 37 34.336 15.198 16.189 1.00 0.17 H new ATOM 0 HB1 ALA A 37 35.820 16.432 14.605 1.00 0.19 H new ATOM 0 HB2 ALA A 37 34.354 17.374 14.966 1.00 0.19 H new ATOM 0 HB3 ALA A 37 35.896 17.794 15.748 1.00 0.19 H new ATOM 626 N ASP A 38 36.286 15.073 18.324 1.00 0.18 N ATOM 627 CA ASP A 38 37.556 14.541 18.887 1.00 0.20 C ATOM 628 C ASP A 38 38.668 15.554 18.597 1.00 0.18 C ATOM 629 O ASP A 38 39.834 15.223 18.519 1.00 0.22 O ATOM 630 CB ASP A 38 37.876 13.194 18.222 1.00 0.25 C ATOM 631 CG ASP A 38 38.750 12.343 19.150 1.00 1.00 C ATOM 632 OD1 ASP A 38 38.201 11.732 20.052 1.00 1.65 O ATOM 633 OD2 ASP A 38 39.952 12.318 18.942 1.00 1.82 O ATOM 0 H ASP A 38 35.492 15.088 18.964 1.00 0.18 H new ATOM 0 HA ASP A 38 37.469 14.388 19.963 1.00 0.20 H new ATOM 0 HB2 ASP A 38 36.952 12.664 17.993 1.00 0.25 H new ATOM 0 HB3 ASP A 38 38.391 13.360 17.276 1.00 0.25 H new ATOM 638 N ALA A 39 38.285 16.786 18.418 1.00 0.14 N ATOM 639 CA ALA A 39 39.262 17.861 18.110 1.00 0.14 C ATOM 640 C ALA A 39 40.071 17.486 16.871 1.00 0.14 C ATOM 641 O ALA A 39 41.101 18.067 16.592 1.00 0.16 O ATOM 642 CB ALA A 39 40.197 18.084 19.296 1.00 0.16 C ATOM 0 H ALA A 39 37.315 17.098 18.474 1.00 0.14 H new ATOM 0 HA ALA A 39 38.718 18.786 17.916 1.00 0.14 H new ATOM 0 HB1 ALA A 39 40.908 18.875 19.055 1.00 0.16 H new ATOM 0 HB2 ALA A 39 39.614 18.374 20.170 1.00 0.16 H new ATOM 0 HB3 ALA A 39 40.738 17.163 19.511 1.00 0.16 H new ATOM 648 N ASN A 40 39.608 16.529 16.113 1.00 0.14 N ATOM 649 CA ASN A 40 40.349 16.135 14.882 1.00 0.16 C ATOM 650 C ASN A 40 39.960 17.097 13.758 1.00 0.14 C ATOM 651 O ASN A 40 38.940 16.939 13.116 1.00 0.15 O ATOM 652 CB ASN A 40 39.976 14.691 14.499 1.00 0.20 C ATOM 653 CG ASN A 40 41.141 14.027 13.754 1.00 0.78 C ATOM 654 OD1 ASN A 40 41.063 13.859 12.462 1.00 1.77 O flip ATOM 655 ND2 ASN A 40 42.130 13.659 14.355 1.00 1.19 N flip ATOM 0 H ASN A 40 38.752 16.005 16.293 1.00 0.14 H new ATOM 0 HA ASN A 40 41.425 16.183 15.052 1.00 0.16 H new ATOM 0 HB2 ASN A 40 39.734 14.120 15.395 1.00 0.20 H new ATOM 0 HB3 ASN A 40 39.085 14.691 13.871 1.00 0.20 H new ATOM 0 HD21 ASN A 40 42.191 13.790 15.365 1.00 1.19 H new ATOM 0 HD22 ASN A 40 42.899 13.219 13.850 1.00 1.19 H new ATOM 662 N ILE A 41 40.758 18.100 13.524 1.00 0.13 N ATOM 663 CA ILE A 41 40.430 19.080 12.454 1.00 0.12 C ATOM 664 C ILE A 41 40.033 18.341 11.174 1.00 0.13 C ATOM 665 O ILE A 41 39.025 18.638 10.564 1.00 0.14 O ATOM 666 CB ILE A 41 41.645 19.975 12.209 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.854 20.839 13.467 1.00 0.13 C ATOM 668 CG2 ILE A 41 41.393 20.850 10.969 1.00 0.15 C ATOM 669 CD1 ILE A 41 43.027 21.805 13.283 1.00 0.16 C ATOM 0 H ILE A 41 41.625 18.283 14.029 1.00 0.13 H new ATOM 0 HA ILE A 41 39.588 19.700 12.763 1.00 0.12 H new ATOM 0 HB ILE A 41 42.541 19.383 12.023 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.945 21.402 13.681 1.00 0.13 H new ATOM 0 HG13 ILE A 41 42.040 20.196 14.327 1.00 0.13 H new ATOM 0 HG21 ILE A 41 42.258 21.489 10.793 1.00 0.15 H new ATOM 0 HG22 ILE A 41 41.230 20.212 10.100 1.00 0.15 H new ATOM 0 HG23 ILE A 41 40.512 21.470 11.134 1.00 0.15 H new ATOM 0 HD11 ILE A 41 43.152 22.402 14.186 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.939 21.238 13.094 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.827 22.463 12.438 1.00 0.16 H new ATOM 681 N GLU A 42 40.809 17.379 10.762 1.00 0.15 N ATOM 682 CA GLU A 42 40.466 16.627 9.528 1.00 0.16 C ATOM 683 C GLU A 42 39.016 16.155 9.610 1.00 0.16 C ATOM 684 O GLU A 42 38.358 16.009 8.609 1.00 0.19 O ATOM 685 CB GLU A 42 41.396 15.422 9.381 1.00 0.19 C ATOM 686 CG GLU A 42 42.780 15.898 8.934 1.00 0.26 C ATOM 687 CD GLU A 42 43.780 14.745 9.044 1.00 1.04 C ATOM 688 OE1 GLU A 42 43.899 14.192 10.125 1.00 1.80 O ATOM 689 OE2 GLU A 42 44.409 14.436 8.046 1.00 1.67 O ATOM 0 H GLU A 42 41.666 17.082 11.228 1.00 0.15 H new ATOM 0 HA GLU A 42 40.587 17.277 8.661 1.00 0.16 H new ATOM 0 HB2 GLU A 42 41.471 14.889 10.329 1.00 0.19 H new ATOM 0 HB3 GLU A 42 40.988 14.721 8.653 1.00 0.19 H new ATOM 0 HG2 GLU A 42 42.737 16.259 7.906 1.00 0.26 H new ATOM 0 HG3 GLU A 42 43.105 16.735 9.552 1.00 0.26 H new ATOM 696 N GLU A 43 38.509 15.922 10.792 1.00 0.15 N ATOM 697 CA GLU A 43 37.085 15.478 10.920 1.00 0.16 C ATOM 698 C GLU A 43 36.191 16.713 11.027 1.00 0.15 C ATOM 699 O GLU A 43 35.176 16.822 10.367 1.00 0.21 O ATOM 700 CB GLU A 43 36.904 14.630 12.185 1.00 0.18 C ATOM 701 CG GLU A 43 35.499 13.982 12.191 1.00 0.33 C ATOM 702 CD GLU A 43 35.547 12.616 11.497 1.00 1.21 C ATOM 703 OE1 GLU A 43 36.418 11.831 11.834 1.00 1.95 O ATOM 704 OE2 GLU A 43 34.710 12.379 10.641 1.00 1.84 O ATOM 0 H GLU A 43 39.015 16.019 11.672 1.00 0.15 H new ATOM 0 HA GLU A 43 36.817 14.883 10.047 1.00 0.16 H new ATOM 0 HB2 GLU A 43 37.671 13.856 12.227 1.00 0.18 H new ATOM 0 HB3 GLU A 43 37.030 15.252 13.071 1.00 0.18 H new ATOM 0 HG2 GLU A 43 35.148 13.866 13.216 1.00 0.33 H new ATOM 0 HG3 GLU A 43 34.788 14.632 11.682 1.00 0.33 H new ATOM 711 N ALA A 44 36.553 17.636 11.877 1.00 0.13 N ATOM 712 CA ALA A 44 35.719 18.858 12.052 1.00 0.14 C ATOM 713 C ALA A 44 35.695 19.679 10.757 1.00 0.16 C ATOM 714 O ALA A 44 34.659 20.142 10.330 1.00 0.20 O ATOM 715 CB ALA A 44 36.291 19.711 13.199 1.00 0.14 C ATOM 0 H ALA A 44 37.391 17.596 12.458 1.00 0.13 H new ATOM 0 HA ALA A 44 34.699 18.558 12.294 1.00 0.14 H new ATOM 0 HB1 ALA A 44 35.681 20.605 13.327 1.00 0.14 H new ATOM 0 HB2 ALA A 44 36.284 19.131 14.122 1.00 0.14 H new ATOM 0 HB3 ALA A 44 37.314 20.001 12.961 1.00 0.14 H new ATOM 721 N SER A 45 36.823 19.880 10.142 1.00 0.16 N ATOM 722 CA SER A 45 36.852 20.697 8.894 1.00 0.21 C ATOM 723 C SER A 45 35.841 20.171 7.873 1.00 0.20 C ATOM 724 O SER A 45 35.412 20.893 6.996 1.00 0.32 O ATOM 725 CB SER A 45 38.255 20.657 8.287 1.00 0.26 C ATOM 726 OG SER A 45 38.166 20.877 6.884 1.00 1.01 O ATOM 0 H SER A 45 37.726 19.516 10.446 1.00 0.16 H new ATOM 0 HA SER A 45 36.587 21.723 9.149 1.00 0.21 H new ATOM 0 HB2 SER A 45 38.885 21.419 8.747 1.00 0.26 H new ATOM 0 HB3 SER A 45 38.723 19.693 8.487 1.00 0.26 H new ATOM 0 HG SER A 45 39.064 20.854 6.492 1.00 1.01 H new ATOM 732 N ARG A 46 35.461 18.929 7.959 1.00 0.18 N ATOM 733 CA ARG A 46 34.487 18.392 6.965 1.00 0.20 C ATOM 734 C ARG A 46 33.074 18.844 7.345 1.00 0.16 C ATOM 735 O ARG A 46 32.397 19.509 6.587 1.00 0.22 O ATOM 736 CB ARG A 46 34.558 16.855 6.940 1.00 0.23 C ATOM 737 CG ARG A 46 35.984 16.385 7.255 1.00 0.85 C ATOM 738 CD ARG A 46 37.014 17.051 6.325 1.00 1.14 C ATOM 739 NE ARG A 46 36.490 17.098 4.919 1.00 1.59 N ATOM 740 CZ ARG A 46 36.139 16.012 4.284 1.00 2.17 C ATOM 741 NH1 ARG A 46 36.365 14.838 4.809 1.00 2.66 N ATOM 742 NH2 ARG A 46 35.599 16.099 3.100 1.00 2.87 N ATOM 0 H ARG A 46 35.778 18.266 8.666 1.00 0.18 H new ATOM 0 HA ARG A 46 34.734 18.771 5.973 1.00 0.20 H new ATOM 0 HB2 ARG A 46 33.861 16.440 7.668 1.00 0.23 H new ATOM 0 HB3 ARG A 46 34.254 16.486 5.961 1.00 0.23 H new ATOM 0 HG2 ARG A 46 36.224 16.618 8.292 1.00 0.85 H new ATOM 0 HG3 ARG A 46 36.043 15.302 7.149 1.00 0.85 H new ATOM 0 HD2 ARG A 46 37.230 18.061 6.674 1.00 1.14 H new ATOM 0 HD3 ARG A 46 37.952 16.496 6.353 1.00 1.14 H new ATOM 0 HE ARG A 46 36.406 17.999 4.449 1.00 1.59 H new ATOM 0 HH11 ARG A 46 36.818 14.765 5.720 1.00 2.66 H new ATOM 0 HH12 ARG A 46 36.088 13.994 4.308 1.00 2.66 H new ATOM 0 HH21 ARG A 46 35.452 17.013 2.672 1.00 2.87 H new ATOM 0 HH22 ARG A 46 35.324 15.253 2.602 1.00 2.87 H new ATOM 756 N ARG A 47 32.625 18.472 8.511 1.00 0.13 N ATOM 757 CA ARG A 47 31.246 18.863 8.948 1.00 0.13 C ATOM 758 C ARG A 47 30.998 20.343 8.627 1.00 0.11 C ATOM 759 O ARG A 47 30.016 20.683 7.998 1.00 0.13 O ATOM 760 CB ARG A 47 30.974 18.585 10.468 1.00 0.18 C ATOM 761 CG ARG A 47 32.274 18.414 11.318 1.00 0.49 C ATOM 762 CD ARG A 47 32.158 17.208 12.282 1.00 0.62 C ATOM 763 NE ARG A 47 31.380 17.537 13.522 1.00 0.81 N ATOM 764 CZ ARG A 47 31.792 18.417 14.389 1.00 1.20 C ATOM 765 NH1 ARG A 47 32.878 19.091 14.179 1.00 1.99 N ATOM 766 NH2 ARG A 47 31.128 18.597 15.494 1.00 1.63 N ATOM 0 H ARG A 47 33.150 17.914 9.184 1.00 0.13 H new ATOM 0 HA ARG A 47 30.549 18.237 8.391 1.00 0.13 H new ATOM 0 HB2 ARG A 47 30.387 19.406 10.879 1.00 0.18 H new ATOM 0 HB3 ARG A 47 30.369 17.683 10.561 1.00 0.18 H new ATOM 0 HG2 ARG A 47 33.128 18.273 10.656 1.00 0.49 H new ATOM 0 HG3 ARG A 47 32.460 19.323 11.890 1.00 0.49 H new ATOM 0 HD2 ARG A 47 31.677 16.378 11.764 1.00 0.62 H new ATOM 0 HD3 ARG A 47 33.157 16.873 12.562 1.00 0.62 H new ATOM 0 HE ARG A 47 30.498 17.055 13.692 1.00 0.81 H new ATOM 0 HH11 ARG A 47 33.419 18.935 13.328 1.00 1.99 H new ATOM 0 HH12 ARG A 47 33.192 19.778 14.864 1.00 1.99 H new ATOM 0 HH21 ARG A 47 30.287 18.049 15.679 1.00 1.63 H new ATOM 0 HH22 ARG A 47 31.448 19.286 16.175 1.00 1.63 H new ATOM 780 N ILE A 48 31.869 21.228 9.035 1.00 0.10 N ATOM 781 CA ILE A 48 31.644 22.671 8.717 1.00 0.10 C ATOM 782 C ILE A 48 31.348 22.794 7.222 1.00 0.11 C ATOM 783 O ILE A 48 30.303 23.268 6.824 1.00 0.13 O ATOM 784 CB ILE A 48 32.884 23.495 9.075 1.00 0.10 C ATOM 785 CG1 ILE A 48 33.266 23.214 10.531 1.00 0.09 C ATOM 786 CG2 ILE A 48 32.567 24.987 8.910 1.00 0.11 C ATOM 787 CD1 ILE A 48 34.363 24.182 10.981 1.00 0.10 C ATOM 0 H ILE A 48 32.714 21.020 9.567 1.00 0.10 H new ATOM 0 HA ILE A 48 30.804 23.051 9.299 1.00 0.10 H new ATOM 0 HB ILE A 48 33.711 23.225 8.418 1.00 0.10 H new ATOM 0 HG12 ILE A 48 32.391 23.320 11.172 1.00 0.09 H new ATOM 0 HG13 ILE A 48 33.613 22.186 10.633 1.00 0.09 H new ATOM 0 HG21 ILE A 48 33.448 25.576 9.164 1.00 0.11 H new ATOM 0 HG22 ILE A 48 32.283 25.186 7.877 1.00 0.11 H new ATOM 0 HG23 ILE A 48 31.745 25.260 9.572 1.00 0.11 H new ATOM 0 HD11 ILE A 48 34.628 23.975 12.018 1.00 0.10 H new ATOM 0 HD12 ILE A 48 35.242 24.055 10.349 1.00 0.10 H new ATOM 0 HD13 ILE A 48 34.001 25.207 10.897 1.00 0.10 H new ATOM 799 N GLU A 49 32.246 22.342 6.391 1.00 0.11 N ATOM 800 CA GLU A 49 31.995 22.407 4.922 1.00 0.12 C ATOM 801 C GLU A 49 30.635 21.786 4.643 1.00 0.12 C ATOM 802 O GLU A 49 29.727 22.432 4.158 1.00 0.13 O ATOM 803 CB GLU A 49 33.052 21.593 4.184 1.00 0.13 C ATOM 804 CG GLU A 49 34.394 22.329 4.194 1.00 0.15 C ATOM 805 CD GLU A 49 35.333 21.688 3.170 1.00 0.17 C ATOM 806 OE1 GLU A 49 35.465 20.476 3.193 1.00 1.09 O ATOM 807 OE2 GLU A 49 35.904 22.421 2.379 1.00 1.08 O ATOM 0 H GLU A 49 33.139 21.932 6.663 1.00 0.11 H new ATOM 0 HA GLU A 49 32.029 23.444 4.588 1.00 0.12 H new ATOM 0 HB2 GLU A 49 33.162 20.616 4.655 1.00 0.13 H new ATOM 0 HB3 GLU A 49 32.734 21.418 3.156 1.00 0.13 H new ATOM 0 HG2 GLU A 49 34.245 23.383 3.958 1.00 0.15 H new ATOM 0 HG3 GLU A 49 34.838 22.285 5.188 1.00 0.15 H new ATOM 814 N GLU A 50 30.479 20.532 4.979 1.00 0.12 N ATOM 815 CA GLU A 50 29.168 19.867 4.769 1.00 0.13 C ATOM 816 C GLU A 50 28.112 20.755 5.405 1.00 0.12 C ATOM 817 O GLU A 50 26.950 20.704 5.076 1.00 0.12 O ATOM 818 CB GLU A 50 29.164 18.493 5.442 1.00 0.14 C ATOM 819 CG GLU A 50 27.928 17.707 4.998 1.00 0.17 C ATOM 820 CD GLU A 50 28.128 17.203 3.568 1.00 1.15 C ATOM 821 OE1 GLU A 50 29.093 16.493 3.340 1.00 1.74 O ATOM 822 OE2 GLU A 50 27.312 17.536 2.724 1.00 2.03 O ATOM 0 H GLU A 50 31.204 19.944 5.389 1.00 0.12 H new ATOM 0 HA GLU A 50 28.971 19.724 3.706 1.00 0.13 H new ATOM 0 HB2 GLU A 50 30.069 17.946 5.179 1.00 0.14 H new ATOM 0 HB3 GLU A 50 29.164 18.608 6.526 1.00 0.14 H new ATOM 0 HG2 GLU A 50 27.758 16.866 5.670 1.00 0.17 H new ATOM 0 HG3 GLU A 50 27.043 18.341 5.051 1.00 0.17 H new ATOM 829 N GLY A 51 28.538 21.594 6.306 1.00 0.11 N ATOM 830 CA GLY A 51 27.585 22.528 6.969 1.00 0.10 C ATOM 831 C GLY A 51 27.354 23.706 6.028 1.00 0.10 C ATOM 832 O GLY A 51 26.240 24.009 5.648 1.00 0.11 O ATOM 0 H GLY A 51 29.507 21.674 6.613 1.00 0.11 H new ATOM 0 HA2 GLY A 51 26.644 22.023 7.186 1.00 0.10 H new ATOM 0 HA3 GLY A 51 27.989 22.873 7.921 1.00 0.10 H new ATOM 836 N GLN A 52 28.414 24.355 5.625 1.00 0.10 N ATOM 837 CA GLN A 52 28.285 25.500 4.677 1.00 0.12 C ATOM 838 C GLN A 52 27.411 25.062 3.512 1.00 0.12 C ATOM 839 O GLN A 52 26.508 25.758 3.094 1.00 0.13 O ATOM 840 CB GLN A 52 29.674 25.881 4.164 1.00 0.14 C ATOM 841 CG GLN A 52 30.565 26.245 5.353 1.00 0.19 C ATOM 842 CD GLN A 52 30.162 27.618 5.886 1.00 0.42 C ATOM 843 OE1 GLN A 52 30.674 28.042 7.007 1.00 0.95 O flip ATOM 844 NE2 GLN A 52 29.373 28.313 5.277 1.00 0.39 N flip ATOM 0 H GLN A 52 29.368 24.140 5.913 1.00 0.10 H new ATOM 0 HA GLN A 52 27.837 26.360 5.174 1.00 0.12 H new ATOM 0 HB2 GLN A 52 30.110 25.051 3.608 1.00 0.14 H new ATOM 0 HB3 GLN A 52 29.603 26.723 3.476 1.00 0.14 H new ATOM 0 HG2 GLN A 52 30.468 25.495 6.138 1.00 0.19 H new ATOM 0 HG3 GLN A 52 31.612 26.254 5.048 1.00 0.19 H new ATOM 0 HE21 GLN A 52 28.972 27.981 4.400 1.00 0.39 H new ATOM 0 HE22 GLN A 52 29.111 29.228 5.643 1.00 0.39 H new ATOM 853 N TYR A 53 27.671 23.898 2.997 1.00 0.12 N ATOM 854 CA TYR A 53 26.850 23.389 1.865 1.00 0.13 C ATOM 855 C TYR A 53 25.385 23.296 2.317 1.00 0.13 C ATOM 856 O TYR A 53 24.491 23.752 1.634 1.00 0.15 O ATOM 857 CB TYR A 53 27.367 22.006 1.419 1.00 0.14 C ATOM 858 CG TYR A 53 26.299 21.288 0.617 1.00 0.15 C ATOM 859 CD1 TYR A 53 25.273 20.617 1.287 1.00 0.16 C ATOM 860 CD2 TYR A 53 26.324 21.309 -0.782 1.00 0.17 C ATOM 861 CE1 TYR A 53 24.271 19.964 0.569 1.00 0.18 C ATOM 862 CE2 TYR A 53 25.318 20.656 -1.507 1.00 0.19 C ATOM 863 CZ TYR A 53 24.289 19.985 -0.831 1.00 0.19 C ATOM 864 OH TYR A 53 23.298 19.341 -1.544 1.00 0.22 O ATOM 0 H TYR A 53 28.416 23.275 3.309 1.00 0.12 H new ATOM 0 HA TYR A 53 26.924 24.070 1.017 1.00 0.13 H new ATOM 0 HB2 TYR A 53 28.269 22.122 0.818 1.00 0.14 H new ATOM 0 HB3 TYR A 53 27.640 21.412 2.291 1.00 0.14 H new ATOM 0 HD1 TYR A 53 25.256 20.604 2.367 1.00 0.16 H new ATOM 0 HD2 TYR A 53 27.116 21.827 -1.302 1.00 0.17 H new ATOM 0 HE1 TYR A 53 23.483 19.443 1.092 1.00 0.18 H new ATOM 0 HE2 TYR A 53 25.335 20.670 -2.587 1.00 0.19 H new ATOM 0 HH TYR A 53 23.459 19.454 -2.504 1.00 0.22 H new ATOM 874 N VAL A 54 25.129 22.706 3.456 1.00 0.15 N ATOM 875 CA VAL A 54 23.715 22.593 3.922 1.00 0.14 C ATOM 876 C VAL A 54 23.074 23.979 3.897 1.00 0.14 C ATOM 877 O VAL A 54 22.160 24.244 3.142 1.00 0.15 O ATOM 878 CB VAL A 54 23.654 22.048 5.360 1.00 0.13 C ATOM 879 CG1 VAL A 54 22.189 22.042 5.814 1.00 0.14 C ATOM 880 CG2 VAL A 54 24.233 20.608 5.444 1.00 0.14 C ATOM 0 H VAL A 54 25.829 22.302 4.078 1.00 0.15 H new ATOM 0 HA VAL A 54 23.184 21.908 3.262 1.00 0.14 H new ATOM 0 HB VAL A 54 24.255 22.686 6.007 1.00 0.13 H new ATOM 0 HG11 VAL A 54 22.125 21.658 6.832 1.00 0.14 H new ATOM 0 HG12 VAL A 54 21.794 23.058 5.783 1.00 0.14 H new ATOM 0 HG13 VAL A 54 21.605 21.406 5.149 1.00 0.14 H new ATOM 0 HG21 VAL A 54 24.175 20.252 6.473 1.00 0.14 H new ATOM 0 HG22 VAL A 54 23.657 19.946 4.798 1.00 0.14 H new ATOM 0 HG23 VAL A 54 25.274 20.615 5.120 1.00 0.14 H new ATOM 890 N VAL A 55 23.555 24.865 4.722 1.00 0.15 N ATOM 891 CA VAL A 55 22.989 26.240 4.760 1.00 0.16 C ATOM 892 C VAL A 55 22.980 26.812 3.342 1.00 0.19 C ATOM 893 O VAL A 55 21.958 27.234 2.838 1.00 0.22 O ATOM 894 CB VAL A 55 23.860 27.110 5.675 1.00 0.19 C ATOM 895 CG1 VAL A 55 23.210 28.483 5.867 1.00 0.29 C ATOM 896 CG2 VAL A 55 24.003 26.419 7.034 1.00 0.13 C ATOM 0 H VAL A 55 24.320 24.694 5.375 1.00 0.15 H new ATOM 0 HA VAL A 55 21.970 26.222 5.145 1.00 0.16 H new ATOM 0 HB VAL A 55 24.842 27.243 5.220 1.00 0.19 H new ATOM 0 HG11 VAL A 55 23.835 29.094 6.518 1.00 0.29 H new ATOM 0 HG12 VAL A 55 23.105 28.974 4.900 1.00 0.29 H new ATOM 0 HG13 VAL A 55 22.226 28.360 6.320 1.00 0.29 H new ATOM 0 HG21 VAL A 55 24.621 27.032 7.690 1.00 0.13 H new ATOM 0 HG22 VAL A 55 23.018 26.288 7.481 1.00 0.13 H new ATOM 0 HG23 VAL A 55 24.472 25.444 6.899 1.00 0.13 H new ATOM 906 N ASN A 56 24.111 26.825 2.695 1.00 0.22 N ATOM 907 CA ASN A 56 24.171 27.365 1.306 1.00 0.27 C ATOM 908 C ASN A 56 23.125 26.656 0.438 1.00 0.26 C ATOM 909 O ASN A 56 22.335 27.283 -0.238 1.00 0.33 O ATOM 910 CB ASN A 56 25.567 27.125 0.726 1.00 0.35 C ATOM 911 CG ASN A 56 25.667 27.773 -0.657 1.00 0.71 C ATOM 912 OD1 ASN A 56 24.664 28.078 -1.271 1.00 1.56 O ATOM 913 ND2 ASN A 56 26.843 27.996 -1.178 1.00 0.90 N ATOM 0 H ASN A 56 24.998 26.485 3.067 1.00 0.22 H new ATOM 0 HA ASN A 56 23.964 28.435 1.321 1.00 0.27 H new ATOM 0 HB2 ASN A 56 26.324 27.542 1.390 1.00 0.35 H new ATOM 0 HB3 ASN A 56 25.762 26.055 0.652 1.00 0.35 H new ATOM 0 HD21 ASN A 56 26.919 28.426 -2.100 1.00 0.90 H new ATOM 0 HD22 ASN A 56 27.686 27.740 -0.663 1.00 0.90 H new ATOM 920 N GLU A 57 23.112 25.351 0.455 1.00 0.24 N ATOM 921 CA GLU A 57 22.115 24.602 -0.363 1.00 0.26 C ATOM 922 C GLU A 57 20.703 25.003 0.074 1.00 0.25 C ATOM 923 O GLU A 57 19.878 25.393 -0.727 1.00 0.32 O ATOM 924 CB GLU A 57 22.321 23.093 -0.151 1.00 0.29 C ATOM 925 CG GLU A 57 21.123 22.299 -0.698 1.00 0.50 C ATOM 926 CD GLU A 57 20.760 22.795 -2.099 1.00 1.58 C ATOM 927 OE1 GLU A 57 21.434 22.406 -3.038 1.00 2.37 O ATOM 928 OE2 GLU A 57 19.812 23.555 -2.207 1.00 2.31 O ATOM 0 H GLU A 57 23.749 24.770 1.000 1.00 0.24 H new ATOM 0 HA GLU A 57 22.245 24.838 -1.419 1.00 0.26 H new ATOM 0 HB2 GLU A 57 23.235 22.772 -0.650 1.00 0.29 H new ATOM 0 HB3 GLU A 57 22.448 22.884 0.911 1.00 0.29 H new ATOM 0 HG2 GLU A 57 21.365 21.237 -0.731 1.00 0.50 H new ATOM 0 HG3 GLU A 57 20.268 22.410 -0.031 1.00 0.50 H new ATOM 1388 N VAL B 8 13.329 21.254 9.853 1.00 0.33 N ATOM 1389 CA VAL B 8 13.328 21.429 11.333 1.00 0.39 C ATOM 1390 C VAL B 8 14.767 21.534 11.842 1.00 0.36 C ATOM 1391 O VAL B 8 15.089 22.386 12.644 1.00 0.48 O ATOM 1392 CB VAL B 8 12.635 20.235 11.993 1.00 0.50 C ATOM 1393 CG1 VAL B 8 12.268 20.592 13.435 1.00 0.98 C ATOM 1394 CG2 VAL B 8 11.364 19.891 11.215 1.00 1.19 C ATOM 0 HA VAL B 8 12.790 22.343 11.585 1.00 0.39 H new ATOM 0 HB VAL B 8 13.307 19.377 11.990 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.774 19.742 13.906 1.00 0.98 H new ATOM 0 HG12 VAL B 8 13.173 20.839 13.990 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.595 21.449 13.438 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.869 19.041 11.684 1.00 1.19 H new ATOM 0 HG22 VAL B 8 10.692 20.749 11.219 1.00 1.19 H new ATOM 0 HG23 VAL B 8 11.624 19.638 10.187 1.00 1.19 H new ATOM 1404 N PHE B 9 15.641 20.679 11.385 1.00 0.28 N ATOM 1405 CA PHE B 9 17.058 20.746 11.850 1.00 0.27 C ATOM 1406 C PHE B 9 17.544 22.195 11.770 1.00 0.25 C ATOM 1407 O PHE B 9 18.310 22.650 12.597 1.00 0.32 O ATOM 1408 CB PHE B 9 17.928 19.853 10.959 1.00 0.26 C ATOM 1409 CG PHE B 9 19.246 19.591 11.643 1.00 0.21 C ATOM 1410 CD1 PHE B 9 20.317 20.470 11.452 1.00 0.23 C ATOM 1411 CD2 PHE B 9 19.397 18.472 12.470 1.00 0.18 C ATOM 1412 CE1 PHE B 9 21.538 20.230 12.088 1.00 0.23 C ATOM 1413 CE2 PHE B 9 20.620 18.234 13.107 1.00 0.18 C ATOM 1414 CZ PHE B 9 21.690 19.115 12.914 1.00 0.20 C ATOM 0 H PHE B 9 15.438 19.940 10.713 1.00 0.28 H new ATOM 0 HA PHE B 9 17.128 20.398 12.881 1.00 0.27 H new ATOM 0 HB2 PHE B 9 17.416 18.911 10.759 1.00 0.26 H new ATOM 0 HB3 PHE B 9 18.096 20.335 9.996 1.00 0.26 H new ATOM 0 HD1 PHE B 9 20.201 21.333 10.814 1.00 0.23 H new ATOM 0 HD2 PHE B 9 18.570 17.793 12.616 1.00 0.18 H new ATOM 0 HE1 PHE B 9 22.365 20.908 11.940 1.00 0.23 H new ATOM 0 HE2 PHE B 9 20.738 17.372 13.747 1.00 0.18 H new ATOM 0 HZ PHE B 9 22.635 18.932 13.405 1.00 0.20 H new ATOM 1424 N LEU B 10 17.087 22.929 10.793 1.00 0.23 N ATOM 1425 CA LEU B 10 17.506 24.352 10.679 1.00 0.23 C ATOM 1426 C LEU B 10 16.714 25.174 11.695 1.00 0.24 C ATOM 1427 O LEU B 10 17.214 26.123 12.267 1.00 0.28 O ATOM 1428 CB LEU B 10 17.221 24.864 9.265 1.00 0.25 C ATOM 1429 CG LEU B 10 17.783 23.877 8.237 1.00 0.24 C ATOM 1430 CD1 LEU B 10 17.615 24.455 6.831 1.00 0.30 C ATOM 1431 CD2 LEU B 10 19.272 23.629 8.514 1.00 0.23 C ATOM 0 H LEU B 10 16.443 22.605 10.071 1.00 0.23 H new ATOM 0 HA LEU B 10 18.574 24.443 10.876 1.00 0.23 H new ATOM 0 HB2 LEU B 10 16.147 24.983 9.120 1.00 0.25 H new ATOM 0 HB3 LEU B 10 17.672 25.846 9.125 1.00 0.25 H new ATOM 0 HG LEU B 10 17.242 22.934 8.311 1.00 0.24 H new ATOM 0 HD11 LEU B 10 18.015 23.753 6.099 1.00 0.30 H new ATOM 0 HD12 LEU B 10 16.557 24.624 6.631 1.00 0.30 H new ATOM 0 HD13 LEU B 10 18.154 25.400 6.759 1.00 0.30 H new ATOM 0 HD21 LEU B 10 19.667 22.926 7.780 1.00 0.23 H new ATOM 0 HD22 LEU B 10 19.817 24.571 8.444 1.00 0.23 H new ATOM 0 HD23 LEU B 10 19.392 23.214 9.515 1.00 0.23 H new ATOM 1443 N ASP B 11 15.483 24.809 11.935 1.00 0.23 N ATOM 1444 CA ASP B 11 14.670 25.564 12.929 1.00 0.25 C ATOM 1445 C ASP B 11 15.424 25.592 14.259 1.00 0.22 C ATOM 1446 O ASP B 11 15.673 26.639 14.820 1.00 0.30 O ATOM 1447 CB ASP B 11 13.310 24.883 13.118 1.00 0.30 C ATOM 1448 CG ASP B 11 12.519 24.948 11.810 1.00 0.97 C ATOM 1449 OD1 ASP B 11 13.126 25.214 10.786 1.00 1.67 O ATOM 1450 OD2 ASP B 11 11.319 24.730 11.855 1.00 1.67 O ATOM 0 H ASP B 11 15.008 24.025 11.488 1.00 0.23 H new ATOM 0 HA ASP B 11 14.505 26.581 12.574 1.00 0.25 H new ATOM 0 HB2 ASP B 11 13.450 23.845 13.419 1.00 0.30 H new ATOM 0 HB3 ASP B 11 12.754 25.374 13.916 1.00 0.30 H new ATOM 1455 N TYR B 12 15.803 24.447 14.765 1.00 0.17 N ATOM 1456 CA TYR B 12 16.554 24.416 16.049 1.00 0.15 C ATOM 1457 C TYR B 12 17.770 25.333 15.931 1.00 0.16 C ATOM 1458 O TYR B 12 17.992 26.202 16.750 1.00 0.23 O ATOM 1459 CB TYR B 12 17.022 22.982 16.339 1.00 0.14 C ATOM 1460 CG TYR B 12 15.828 22.088 16.625 1.00 0.17 C ATOM 1461 CD1 TYR B 12 14.981 22.363 17.708 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.570 20.979 15.807 1.00 0.20 C ATOM 1463 CE1 TYR B 12 13.883 21.533 17.969 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.473 20.151 16.069 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.630 20.428 17.150 1.00 0.27 C ATOM 1466 OH TYR B 12 12.548 19.611 17.409 1.00 0.32 O ATOM 0 H TYR B 12 15.624 23.536 14.344 1.00 0.17 H new ATOM 0 HA TYR B 12 15.910 24.754 16.861 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.580 22.594 15.486 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.701 22.979 17.192 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.175 23.216 18.342 1.00 0.23 H new ATOM 0 HD2 TYR B 12 16.220 20.763 14.972 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.231 21.747 18.803 1.00 0.27 H new ATOM 0 HE2 TYR B 12 14.277 19.298 15.436 1.00 0.24 H new ATOM 0 HH TYR B 12 12.516 18.891 16.745 1.00 0.32 H new ATOM 1476 N CYS B 13 18.556 25.145 14.909 1.00 0.19 N ATOM 1477 CA CYS B 13 19.758 26.000 14.717 1.00 0.24 C ATOM 1478 C CYS B 13 19.368 27.470 14.870 1.00 0.26 C ATOM 1479 O CYS B 13 20.064 28.246 15.494 1.00 0.33 O ATOM 1480 CB CYS B 13 20.322 25.764 13.315 1.00 0.30 C ATOM 1481 SG CYS B 13 21.202 24.184 13.275 1.00 1.27 S ATOM 0 H CYS B 13 18.416 24.431 14.194 1.00 0.19 H new ATOM 0 HA CYS B 13 20.512 25.748 15.463 1.00 0.24 H new ATOM 0 HB2 CYS B 13 19.515 25.761 12.583 1.00 0.30 H new ATOM 0 HB3 CYS B 13 20.997 26.575 13.042 1.00 0.30 H new ATOM 0 HG CYS B 13 22.127 24.179 14.189 1.00 1.27 H new ATOM 1487 N GLN B 14 18.259 27.858 14.305 1.00 0.24 N ATOM 1488 CA GLN B 14 17.826 29.275 14.418 1.00 0.27 C ATOM 1489 C GLN B 14 17.834 29.684 15.891 1.00 0.24 C ATOM 1490 O GLN B 14 18.502 30.620 16.280 1.00 0.29 O ATOM 1491 CB GLN B 14 16.415 29.427 13.846 1.00 0.32 C ATOM 1492 CG GLN B 14 16.085 30.911 13.687 1.00 0.62 C ATOM 1493 CD GLN B 14 14.776 31.063 12.910 1.00 0.88 C ATOM 1494 OE1 GLN B 14 14.703 31.818 11.962 1.00 1.69 O ATOM 1495 NE2 GLN B 14 13.731 30.371 13.274 1.00 1.44 N ATOM 0 H GLN B 14 17.635 27.254 13.770 1.00 0.24 H new ATOM 0 HA GLN B 14 18.508 29.915 13.858 1.00 0.27 H new ATOM 0 HB2 GLN B 14 16.346 28.923 12.882 1.00 0.32 H new ATOM 0 HB3 GLN B 14 15.690 28.951 14.507 1.00 0.32 H new ATOM 0 HG2 GLN B 14 15.996 31.381 14.666 1.00 0.62 H new ATOM 0 HG3 GLN B 14 16.893 31.420 13.162 1.00 0.62 H new ATOM 0 HE21 GLN B 14 13.792 29.736 14.070 1.00 1.44 H new ATOM 0 HE22 GLN B 14 12.854 30.465 12.762 1.00 1.44 H new ATOM 1504 N LYS B 15 17.109 28.987 16.720 1.00 0.23 N ATOM 1505 CA LYS B 15 17.096 29.342 18.166 1.00 0.23 C ATOM 1506 C LYS B 15 18.541 29.466 18.657 1.00 0.20 C ATOM 1507 O LYS B 15 18.937 30.472 19.212 1.00 0.23 O ATOM 1508 CB LYS B 15 16.374 28.246 18.949 1.00 0.24 C ATOM 1509 CG LYS B 15 14.900 28.215 18.539 1.00 0.55 C ATOM 1510 CD LYS B 15 14.246 26.938 19.074 1.00 1.19 C ATOM 1511 CE LYS B 15 14.266 26.948 20.606 1.00 1.47 C ATOM 1512 NZ LYS B 15 13.264 25.973 21.120 1.00 2.21 N ATOM 0 H LYS B 15 16.527 28.190 16.461 1.00 0.23 H new ATOM 0 HA LYS B 15 16.577 30.289 18.315 1.00 0.23 H new ATOM 0 HB2 LYS B 15 16.837 27.279 18.754 1.00 0.24 H new ATOM 0 HB3 LYS B 15 16.461 28.431 20.020 1.00 0.24 H new ATOM 0 HG2 LYS B 15 14.384 29.092 18.931 1.00 0.55 H new ATOM 0 HG3 LYS B 15 14.813 28.253 17.453 1.00 0.55 H new ATOM 0 HD2 LYS B 15 13.219 26.866 18.715 1.00 1.19 H new ATOM 0 HD3 LYS B 15 14.776 26.062 18.700 1.00 1.19 H new ATOM 0 HE2 LYS B 15 15.261 26.690 20.969 1.00 1.47 H new ATOM 0 HE3 LYS B 15 14.041 27.948 20.977 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 13.276 25.978 22.160 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 12.317 26.239 20.783 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 13.499 25.020 20.776 1.00 2.21 H new ATOM 1526 N LEU B 16 19.334 28.452 18.440 1.00 0.18 N ATOM 1527 CA LEU B 16 20.758 28.504 18.873 1.00 0.17 C ATOM 1528 C LEU B 16 21.390 29.791 18.327 1.00 0.18 C ATOM 1529 O LEU B 16 22.343 30.312 18.870 1.00 0.23 O ATOM 1530 CB LEU B 16 21.489 27.261 18.305 1.00 0.15 C ATOM 1531 CG LEU B 16 22.397 26.625 19.370 1.00 0.15 C ATOM 1532 CD1 LEU B 16 21.545 25.935 20.461 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.318 25.607 18.686 1.00 0.18 C ATOM 0 H LEU B 16 19.054 27.586 17.979 1.00 0.18 H new ATOM 0 HA LEU B 16 20.836 28.502 19.960 1.00 0.17 H new ATOM 0 HB2 LEU B 16 20.758 26.530 17.961 1.00 0.15 H new ATOM 0 HB3 LEU B 16 22.084 27.549 17.438 1.00 0.15 H new ATOM 0 HG LEU B 16 22.997 27.397 19.851 1.00 0.15 H new ATOM 0 HD11 LEU B 16 22.202 25.489 21.208 1.00 0.25 H new ATOM 0 HD12 LEU B 16 20.900 26.672 20.939 1.00 0.25 H new ATOM 0 HD13 LEU B 16 20.932 25.157 20.006 1.00 0.25 H new ATOM 0 HD21 LEU B 16 23.969 25.147 19.430 1.00 0.18 H new ATOM 0 HD22 LEU B 16 22.715 24.836 18.205 1.00 0.18 H new ATOM 0 HD23 LEU B 16 23.926 26.113 17.936 1.00 0.18 H new ATOM 1545 N LEU B 17 20.864 30.294 17.245 1.00 0.17 N ATOM 1546 CA LEU B 17 21.418 31.534 16.637 1.00 0.19 C ATOM 1547 C LEU B 17 20.839 32.769 17.339 1.00 0.22 C ATOM 1548 O LEU B 17 21.538 33.721 17.621 1.00 0.30 O ATOM 1549 CB LEU B 17 21.036 31.559 15.149 1.00 0.19 C ATOM 1550 CG LEU B 17 21.975 32.503 14.370 1.00 0.22 C ATOM 1551 CD1 LEU B 17 23.240 31.745 13.947 1.00 0.14 C ATOM 1552 CD2 LEU B 17 21.269 33.024 13.109 1.00 0.33 C ATOM 0 H LEU B 17 20.066 29.894 16.752 1.00 0.17 H new ATOM 0 HA LEU B 17 22.502 31.547 16.748 1.00 0.19 H new ATOM 0 HB2 LEU B 17 21.096 30.553 14.734 1.00 0.19 H new ATOM 0 HB3 LEU B 17 20.003 31.889 15.037 1.00 0.19 H new ATOM 0 HG LEU B 17 22.241 33.340 15.016 1.00 0.22 H new ATOM 0 HD11 LEU B 17 23.900 32.416 13.397 1.00 0.14 H new ATOM 0 HD12 LEU B 17 23.756 31.375 14.833 1.00 0.14 H new ATOM 0 HD13 LEU B 17 22.965 30.905 13.310 1.00 0.14 H new ATOM 0 HD21 LEU B 17 21.939 33.690 12.565 1.00 0.33 H new ATOM 0 HD22 LEU B 17 20.996 32.183 12.471 1.00 0.33 H new ATOM 0 HD23 LEU B 17 20.369 33.569 13.395 1.00 0.33 H new ATOM 1564 N GLU B 18 19.563 32.761 17.603 1.00 0.20 N ATOM 1565 CA GLU B 18 18.923 33.935 18.267 1.00 0.24 C ATOM 1566 C GLU B 18 19.460 34.093 19.689 1.00 0.22 C ATOM 1567 O GLU B 18 19.975 35.129 20.059 1.00 0.26 O ATOM 1568 CB GLU B 18 17.409 33.723 18.338 1.00 0.30 C ATOM 1569 CG GLU B 18 16.853 33.431 16.942 1.00 1.05 C ATOM 1570 CD GLU B 18 16.755 34.731 16.141 1.00 1.67 C ATOM 1571 OE1 GLU B 18 15.723 35.376 16.220 1.00 2.29 O ATOM 1572 OE2 GLU B 18 17.714 35.057 15.460 1.00 2.17 O ATOM 0 H GLU B 18 18.931 31.990 17.387 1.00 0.20 H new ATOM 0 HA GLU B 18 19.151 34.830 17.688 1.00 0.24 H new ATOM 0 HB2 GLU B 18 17.181 32.895 19.009 1.00 0.30 H new ATOM 0 HB3 GLU B 18 16.929 34.610 18.751 1.00 0.30 H new ATOM 0 HG2 GLU B 18 17.499 32.722 16.424 1.00 1.05 H new ATOM 0 HG3 GLU B 18 15.870 32.967 17.022 1.00 1.05 H new ATOM 1579 N LYS B 19 19.324 33.078 20.494 1.00 0.19 N ATOM 1580 CA LYS B 19 19.801 33.164 21.895 1.00 0.20 C ATOM 1581 C LYS B 19 21.212 33.756 21.936 1.00 0.19 C ATOM 1582 O LYS B 19 21.470 34.711 22.642 1.00 0.26 O ATOM 1583 CB LYS B 19 19.797 31.755 22.490 1.00 0.21 C ATOM 1584 CG LYS B 19 18.384 31.405 22.964 1.00 0.29 C ATOM 1585 CD LYS B 19 18.279 29.901 23.210 1.00 0.33 C ATOM 1586 CE LYS B 19 19.215 29.489 24.352 1.00 0.95 C ATOM 1587 NZ LYS B 19 20.608 29.369 23.836 1.00 1.68 N ATOM 0 H LYS B 19 18.899 32.187 20.237 1.00 0.19 H new ATOM 0 HA LYS B 19 19.146 33.814 22.475 1.00 0.20 H new ATOM 0 HB2 LYS B 19 20.131 31.033 21.745 1.00 0.21 H new ATOM 0 HB3 LYS B 19 20.496 31.699 23.324 1.00 0.21 H new ATOM 0 HG2 LYS B 19 18.152 31.950 23.879 1.00 0.29 H new ATOM 0 HG3 LYS B 19 17.653 31.712 22.216 1.00 0.29 H new ATOM 0 HD2 LYS B 19 17.251 29.636 23.458 1.00 0.33 H new ATOM 0 HD3 LYS B 19 18.539 29.357 22.302 1.00 0.33 H new ATOM 0 HE2 LYS B 19 19.175 30.227 25.153 1.00 0.95 H new ATOM 0 HE3 LYS B 19 18.891 28.539 24.777 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 20.998 28.442 24.101 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 20.603 29.459 22.800 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 21.196 30.122 24.246 1.00 1.68 H new ATOM 1601 N PHE B 20 22.125 33.213 21.183 1.00 0.15 N ATOM 1602 CA PHE B 20 23.501 33.765 21.182 1.00 0.15 C ATOM 1603 C PHE B 20 23.523 35.002 20.285 1.00 0.16 C ATOM 1604 O PHE B 20 24.548 35.621 20.076 1.00 0.25 O ATOM 1605 CB PHE B 20 24.458 32.712 20.640 1.00 0.14 C ATOM 1606 CG PHE B 20 24.590 31.584 21.638 1.00 0.13 C ATOM 1607 CD1 PHE B 20 23.555 30.648 21.765 1.00 0.14 C ATOM 1608 CD2 PHE B 20 25.742 31.466 22.432 1.00 0.14 C ATOM 1609 CE1 PHE B 20 23.668 29.598 22.682 1.00 0.14 C ATOM 1610 CE2 PHE B 20 25.852 30.413 23.349 1.00 0.15 C ATOM 1611 CZ PHE B 20 24.816 29.480 23.473 1.00 0.14 C ATOM 0 H PHE B 20 21.976 32.412 20.570 1.00 0.15 H new ATOM 0 HA PHE B 20 23.807 34.038 22.192 1.00 0.15 H new ATOM 0 HB2 PHE B 20 24.091 32.328 19.688 1.00 0.14 H new ATOM 0 HB3 PHE B 20 25.434 33.158 20.448 1.00 0.14 H new ATOM 0 HD1 PHE B 20 22.669 30.737 21.154 1.00 0.14 H new ATOM 0 HD2 PHE B 20 26.542 32.186 22.336 1.00 0.14 H new ATOM 0 HE1 PHE B 20 22.869 28.878 22.780 1.00 0.14 H new ATOM 0 HE2 PHE B 20 26.737 30.321 23.961 1.00 0.15 H new ATOM 0 HZ PHE B 20 24.903 28.668 24.180 1.00 0.14 H new ATOM 1621 N ARG B 21 22.383 35.367 19.763 1.00 0.15 N ATOM 1622 CA ARG B 21 22.300 36.569 18.884 1.00 0.17 C ATOM 1623 C ARG B 21 23.405 36.544 17.819 1.00 0.14 C ATOM 1624 O ARG B 21 24.022 37.552 17.539 1.00 0.18 O ATOM 1625 CB ARG B 21 22.452 37.828 19.739 1.00 0.23 C ATOM 1626 CG ARG B 21 21.356 37.856 20.806 1.00 0.58 C ATOM 1627 CD ARG B 21 21.701 38.904 21.866 1.00 1.16 C ATOM 1628 NE ARG B 21 20.501 39.171 22.706 1.00 1.87 N ATOM 1629 CZ ARG B 21 20.628 39.797 23.844 1.00 2.62 C ATOM 1630 NH1 ARG B 21 21.808 40.181 24.249 1.00 2.94 N ATOM 1631 NH2 ARG B 21 19.577 40.036 24.579 1.00 3.56 N ATOM 0 H ARG B 21 21.499 34.880 19.909 1.00 0.15 H new ATOM 0 HA ARG B 21 21.333 36.568 18.382 1.00 0.17 H new ATOM 0 HB2 ARG B 21 23.434 37.843 20.211 1.00 0.23 H new ATOM 0 HB3 ARG B 21 22.386 38.717 19.111 1.00 0.23 H new ATOM 0 HG2 ARG B 21 20.394 38.089 20.349 1.00 0.58 H new ATOM 0 HG3 ARG B 21 21.259 36.874 21.269 1.00 0.58 H new ATOM 0 HD2 ARG B 21 22.523 38.551 22.489 1.00 1.16 H new ATOM 0 HD3 ARG B 21 22.036 39.824 21.388 1.00 1.16 H new ATOM 0 HE ARG B 21 19.580 38.865 22.392 1.00 1.87 H new ATOM 0 HH11 ARG B 21 22.630 39.992 23.676 1.00 2.94 H new ATOM 0 HH12 ARG B 21 21.908 40.670 25.138 1.00 2.94 H new ATOM 0 HH21 ARG B 21 18.655 39.733 24.264 1.00 3.56 H new ATOM 0 HH22 ARG B 21 19.677 40.525 25.468 1.00 3.56 H new ATOM 1645 N TYR B 22 23.660 35.411 17.212 1.00 0.14 N ATOM 1646 CA TYR B 22 24.723 35.357 16.161 1.00 0.13 C ATOM 1647 C TYR B 22 24.117 35.822 14.813 1.00 0.15 C ATOM 1648 O TYR B 22 22.933 35.652 14.601 1.00 0.16 O ATOM 1649 CB TYR B 22 25.213 33.905 16.003 1.00 0.12 C ATOM 1650 CG TYR B 22 26.288 33.555 17.027 1.00 0.13 C ATOM 1651 CD1 TYR B 22 27.464 34.323 17.143 1.00 0.14 C ATOM 1652 CD2 TYR B 22 26.111 32.437 17.857 1.00 0.14 C ATOM 1653 CE1 TYR B 22 28.442 33.969 18.081 1.00 0.17 C ATOM 1654 CE2 TYR B 22 27.092 32.089 18.792 1.00 0.17 C ATOM 1655 CZ TYR B 22 28.256 32.855 18.904 1.00 0.18 C ATOM 1656 OH TYR B 22 29.222 32.510 19.825 1.00 0.21 O ATOM 0 H TYR B 22 23.183 34.529 17.396 1.00 0.14 H new ATOM 0 HA TYR B 22 25.555 36.000 16.448 1.00 0.13 H new ATOM 0 HB2 TYR B 22 24.370 33.223 16.114 1.00 0.12 H new ATOM 0 HB3 TYR B 22 25.609 33.762 14.997 1.00 0.12 H new ATOM 0 HD1 TYR B 22 27.611 35.185 16.509 1.00 0.14 H new ATOM 0 HD2 TYR B 22 25.213 31.842 17.774 1.00 0.14 H new ATOM 0 HE1 TYR B 22 29.343 34.559 18.169 1.00 0.17 H new ATOM 0 HE2 TYR B 22 26.950 31.228 19.428 1.00 0.17 H new ATOM 0 HH TYR B 22 28.879 32.659 20.731 1.00 0.21 H new ATOM 1666 N PRO B 23 24.933 36.364 13.918 1.00 0.16 N ATOM 1667 CA PRO B 23 24.440 36.799 12.595 1.00 0.18 C ATOM 1668 C PRO B 23 23.932 35.580 11.805 1.00 0.19 C ATOM 1669 O PRO B 23 24.040 34.454 12.245 1.00 0.19 O ATOM 1670 CB PRO B 23 25.663 37.439 11.897 1.00 0.19 C ATOM 1671 CG PRO B 23 26.895 37.192 12.810 1.00 0.17 C ATOM 1672 CD PRO B 23 26.378 36.597 14.140 1.00 0.15 C ATOM 0 HA PRO B 23 23.610 37.502 12.667 1.00 0.18 H new ATOM 0 HB2 PRO B 23 25.819 36.997 10.913 1.00 0.19 H new ATOM 0 HB3 PRO B 23 25.504 38.507 11.746 1.00 0.19 H new ATOM 0 HG2 PRO B 23 27.596 36.508 12.331 1.00 0.17 H new ATOM 0 HG3 PRO B 23 27.431 38.124 12.990 1.00 0.17 H new ATOM 0 HD2 PRO B 23 26.895 35.669 14.385 1.00 0.15 H new ATOM 0 HD3 PRO B 23 26.544 37.283 14.971 1.00 0.15 H new ATOM 1680 N TRP B 24 23.382 35.808 10.643 1.00 0.22 N ATOM 1681 CA TRP B 24 22.859 34.678 9.814 1.00 0.24 C ATOM 1682 C TRP B 24 24.009 33.968 9.090 1.00 0.25 C ATOM 1683 O TRP B 24 23.841 32.888 8.558 1.00 0.34 O ATOM 1684 CB TRP B 24 21.867 35.230 8.782 1.00 0.28 C ATOM 1685 CG TRP B 24 21.455 34.141 7.839 1.00 0.53 C ATOM 1686 CD1 TRP B 24 21.951 33.966 6.592 1.00 1.45 C ATOM 1687 CD2 TRP B 24 20.477 33.079 8.043 1.00 0.35 C ATOM 1688 NE1 TRP B 24 21.340 32.866 6.018 1.00 1.68 N ATOM 1689 CE2 TRP B 24 20.424 32.285 6.872 1.00 0.93 C ATOM 1690 CE3 TRP B 24 19.640 32.731 9.118 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 19.571 31.186 6.772 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 18.780 31.625 9.020 1.00 1.15 C ATOM 1693 CH2 TRP B 24 18.746 30.853 7.850 1.00 0.63 C ATOM 0 H TRP B 24 23.271 36.733 10.228 1.00 0.22 H new ATOM 0 HA TRP B 24 22.360 33.960 10.465 1.00 0.24 H new ATOM 0 HB2 TRP B 24 20.991 35.636 9.288 1.00 0.28 H new ATOM 0 HB3 TRP B 24 22.324 36.050 8.228 1.00 0.28 H new ATOM 0 HD1 TRP B 24 22.701 34.584 6.122 1.00 1.45 H new ATOM 0 HE1 TRP B 24 21.542 32.525 5.078 1.00 1.68 H new ATOM 0 HE3 TRP B 24 19.659 33.318 10.025 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 19.548 30.596 5.868 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 18.141 31.367 9.851 1.00 1.15 H new ATOM 0 HH2 TRP B 24 18.084 30.003 7.782 1.00 0.63 H new ATOM 1704 N GLU B 25 25.166 34.564 9.044 1.00 0.21 N ATOM 1705 CA GLU B 25 26.305 33.916 8.329 1.00 0.24 C ATOM 1706 C GLU B 25 26.871 32.750 9.149 1.00 0.21 C ATOM 1707 O GLU B 25 27.624 31.943 8.641 1.00 0.24 O ATOM 1708 CB GLU B 25 27.409 34.949 8.092 1.00 0.31 C ATOM 1709 CG GLU B 25 28.552 34.303 7.306 1.00 1.20 C ATOM 1710 CD GLU B 25 29.474 35.392 6.753 1.00 1.43 C ATOM 1711 OE1 GLU B 25 29.008 36.185 5.952 1.00 1.86 O ATOM 1712 OE2 GLU B 25 30.630 35.414 7.141 1.00 1.99 O ATOM 0 H GLU B 25 25.375 35.468 9.468 1.00 0.21 H new ATOM 0 HA GLU B 25 25.942 33.529 7.377 1.00 0.24 H new ATOM 0 HB2 GLU B 25 27.012 35.802 7.542 1.00 0.31 H new ATOM 0 HB3 GLU B 25 27.778 35.328 9.045 1.00 0.31 H new ATOM 0 HG2 GLU B 25 29.115 33.629 7.951 1.00 1.20 H new ATOM 0 HG3 GLU B 25 28.151 33.702 6.489 1.00 1.20 H new ATOM 1719 N LEU B 26 26.537 32.657 10.413 1.00 0.16 N ATOM 1720 CA LEU B 26 27.086 31.542 11.255 1.00 0.15 C ATOM 1721 C LEU B 26 26.086 30.390 11.358 1.00 0.15 C ATOM 1722 O LEU B 26 26.078 29.659 12.328 1.00 0.19 O ATOM 1723 CB LEU B 26 27.381 32.061 12.661 1.00 0.13 C ATOM 1724 CG LEU B 26 28.142 33.385 12.587 1.00 0.13 C ATOM 1725 CD1 LEU B 26 28.665 33.729 13.980 1.00 0.14 C ATOM 1726 CD2 LEU B 26 29.324 33.262 11.615 1.00 0.14 C ATOM 0 H LEU B 26 25.911 33.300 10.898 1.00 0.16 H new ATOM 0 HA LEU B 26 27.999 31.179 10.783 1.00 0.15 H new ATOM 0 HB2 LEU B 26 26.449 32.199 13.208 1.00 0.13 H new ATOM 0 HB3 LEU B 26 27.968 31.326 13.212 1.00 0.13 H new ATOM 0 HG LEU B 26 27.474 34.169 12.231 1.00 0.13 H new ATOM 0 HD11 LEU B 26 29.210 34.672 13.941 1.00 0.14 H new ATOM 0 HD12 LEU B 26 27.827 33.823 14.670 1.00 0.14 H new ATOM 0 HD13 LEU B 26 29.332 32.938 14.324 1.00 0.14 H new ATOM 0 HD21 LEU B 26 29.859 34.211 11.570 1.00 0.14 H new ATOM 0 HD22 LEU B 26 30.000 32.480 11.961 1.00 0.14 H new ATOM 0 HD23 LEU B 26 28.954 33.007 10.622 1.00 0.14 H new ATOM 1738 N MET B 27 25.252 30.204 10.376 1.00 0.15 N ATOM 1739 CA MET B 27 24.285 29.081 10.452 1.00 0.17 C ATOM 1740 C MET B 27 25.013 27.718 10.295 1.00 0.14 C ATOM 1741 O MET B 27 24.640 26.771 10.960 1.00 0.19 O ATOM 1742 CB MET B 27 23.192 29.254 9.374 1.00 0.20 C ATOM 1743 CG MET B 27 22.040 30.100 9.929 1.00 0.39 C ATOM 1744 SD MET B 27 21.078 29.111 11.097 1.00 1.31 S ATOM 1745 CE MET B 27 19.963 28.367 9.884 1.00 0.45 C ATOM 0 H MET B 27 25.199 30.775 9.533 1.00 0.15 H new ATOM 0 HA MET B 27 23.809 29.091 11.432 1.00 0.17 H new ATOM 0 HB2 MET B 27 23.613 29.733 8.490 1.00 0.20 H new ATOM 0 HB3 MET B 27 22.820 28.278 9.061 1.00 0.20 H new ATOM 0 HG2 MET B 27 22.432 30.988 10.424 1.00 0.39 H new ATOM 0 HG3 MET B 27 21.402 30.444 9.115 1.00 0.39 H new ATOM 0 HE1 MET B 27 18.988 28.851 9.941 1.00 0.45 H new ATOM 0 HE2 MET B 27 20.375 28.497 8.883 1.00 0.45 H new ATOM 0 HE3 MET B 27 19.852 27.303 10.096 1.00 0.45 H new ATOM 1755 N PRO B 28 26.027 27.626 9.438 1.00 0.09 N ATOM 1756 CA PRO B 28 26.759 26.350 9.249 1.00 0.09 C ATOM 1757 C PRO B 28 27.388 25.883 10.570 1.00 0.09 C ATOM 1758 O PRO B 28 27.576 24.705 10.791 1.00 0.14 O ATOM 1759 CB PRO B 28 27.838 26.672 8.189 1.00 0.10 C ATOM 1760 CG PRO B 28 27.476 28.055 7.591 1.00 0.12 C ATOM 1761 CD PRO B 28 26.526 28.735 8.590 1.00 0.12 C ATOM 0 HA PRO B 28 26.107 25.538 8.928 1.00 0.09 H new ATOM 0 HB2 PRO B 28 28.830 26.693 8.641 1.00 0.10 H new ATOM 0 HB3 PRO B 28 27.858 25.908 7.412 1.00 0.10 H new ATOM 0 HG2 PRO B 28 28.372 28.657 7.438 1.00 0.12 H new ATOM 0 HG3 PRO B 28 26.998 27.942 6.618 1.00 0.12 H new ATOM 0 HD2 PRO B 28 27.046 29.487 9.184 1.00 0.12 H new ATOM 0 HD3 PRO B 28 25.708 29.243 8.078 1.00 0.12 H new ATOM 1769 N LEU B 29 27.713 26.786 11.450 1.00 0.10 N ATOM 1770 CA LEU B 29 28.319 26.363 12.744 1.00 0.09 C ATOM 1771 C LEU B 29 27.209 25.843 13.659 1.00 0.10 C ATOM 1772 O LEU B 29 27.357 24.831 14.316 1.00 0.16 O ATOM 1773 CB LEU B 29 29.033 27.549 13.392 1.00 0.08 C ATOM 1774 CG LEU B 29 29.891 28.260 12.339 1.00 0.09 C ATOM 1775 CD1 LEU B 29 30.706 29.368 13.010 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.839 27.248 11.675 1.00 0.09 C ATOM 0 H LEU B 29 27.587 27.791 11.332 1.00 0.10 H new ATOM 0 HA LEU B 29 29.050 25.572 12.575 1.00 0.09 H new ATOM 0 HB2 LEU B 29 28.304 28.242 13.812 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.658 27.206 14.216 1.00 0.08 H new ATOM 0 HG LEU B 29 29.244 28.697 11.578 1.00 0.09 H new ATOM 0 HD11 LEU B 29 31.317 29.874 12.262 1.00 0.12 H new ATOM 0 HD12 LEU B 29 30.030 30.087 13.474 1.00 0.12 H new ATOM 0 HD13 LEU B 29 31.352 28.933 13.772 1.00 0.12 H new ATOM 0 HD21 LEU B 29 31.448 27.756 10.927 1.00 0.09 H new ATOM 0 HD22 LEU B 29 31.488 26.806 12.432 1.00 0.09 H new ATOM 0 HD23 LEU B 29 30.255 26.463 11.195 1.00 0.09 H new ATOM 1788 N MET B 30 26.087 26.510 13.687 1.00 0.10 N ATOM 1789 CA MET B 30 24.960 26.036 14.534 1.00 0.12 C ATOM 1790 C MET B 30 24.485 24.693 13.980 1.00 0.10 C ATOM 1791 O MET B 30 23.800 23.936 14.637 1.00 0.13 O ATOM 1792 CB MET B 30 23.813 27.049 14.461 1.00 0.16 C ATOM 1793 CG MET B 30 24.118 28.237 15.370 1.00 0.19 C ATOM 1794 SD MET B 30 25.717 28.953 14.909 1.00 1.23 S ATOM 1795 CE MET B 30 26.350 29.223 16.582 1.00 0.22 C ATOM 0 H MET B 30 25.904 27.363 13.159 1.00 0.10 H new ATOM 0 HA MET B 30 25.279 25.929 15.571 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.680 27.389 13.434 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.878 26.577 14.764 1.00 0.16 H new ATOM 0 HG2 MET B 30 23.332 28.987 15.282 1.00 0.19 H new ATOM 0 HG3 MET B 30 24.137 27.916 16.412 1.00 0.19 H new ATOM 0 HE1 MET B 30 27.228 29.868 16.539 1.00 0.22 H new ATOM 0 HE2 MET B 30 25.580 29.698 17.190 1.00 0.22 H new ATOM 0 HE3 MET B 30 26.624 28.266 17.026 1.00 0.22 H new ATOM 1805 N TYR B 31 24.846 24.409 12.760 1.00 0.08 N ATOM 1806 CA TYR B 31 24.426 23.132 12.122 1.00 0.08 C ATOM 1807 C TYR B 31 25.302 21.979 12.628 1.00 0.08 C ATOM 1808 O TYR B 31 24.807 20.937 13.012 1.00 0.09 O ATOM 1809 CB TYR B 31 24.568 23.277 10.601 1.00 0.09 C ATOM 1810 CG TYR B 31 24.371 21.943 9.926 1.00 0.09 C ATOM 1811 CD1 TYR B 31 23.092 21.540 9.529 1.00 0.10 C ATOM 1812 CD2 TYR B 31 25.471 21.112 9.693 1.00 0.10 C ATOM 1813 CE1 TYR B 31 22.913 20.302 8.900 1.00 0.11 C ATOM 1814 CE2 TYR B 31 25.294 19.876 9.064 1.00 0.11 C ATOM 1815 CZ TYR B 31 24.014 19.470 8.667 1.00 0.11 C ATOM 1816 OH TYR B 31 23.839 18.250 8.046 1.00 0.13 O ATOM 0 H TYR B 31 25.420 25.014 12.172 1.00 0.08 H new ATOM 0 HA TYR B 31 23.389 22.912 12.377 1.00 0.08 H new ATOM 0 HB2 TYR B 31 23.836 23.993 10.227 1.00 0.09 H new ATOM 0 HB3 TYR B 31 25.554 23.673 10.357 1.00 0.09 H new ATOM 0 HD1 TYR B 31 22.243 22.183 9.707 1.00 0.10 H new ATOM 0 HD2 TYR B 31 26.458 21.425 9.999 1.00 0.10 H new ATOM 0 HE1 TYR B 31 21.925 19.989 8.595 1.00 0.11 H new ATOM 0 HE2 TYR B 31 26.144 19.235 8.884 1.00 0.11 H new ATOM 0 HH TYR B 31 24.705 17.799 7.961 1.00 0.13 H new ATOM 1826 N VAL B 32 26.597 22.150 12.632 1.00 0.08 N ATOM 1827 CA VAL B 32 27.492 21.057 13.113 1.00 0.08 C ATOM 1828 C VAL B 32 27.271 20.835 14.611 1.00 0.08 C ATOM 1829 O VAL B 32 27.034 19.731 15.056 1.00 0.10 O ATOM 1830 CB VAL B 32 28.951 21.446 12.859 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.878 20.307 13.306 1.00 0.08 C ATOM 1832 CG2 VAL B 32 29.148 21.721 11.362 1.00 0.08 C ATOM 0 H VAL B 32 27.073 22.998 12.324 1.00 0.08 H new ATOM 0 HA VAL B 32 27.264 20.136 12.576 1.00 0.08 H new ATOM 0 HB VAL B 32 29.193 22.343 13.428 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.915 20.589 13.123 1.00 0.08 H new ATOM 0 HG12 VAL B 32 29.736 20.118 14.370 1.00 0.08 H new ATOM 0 HG13 VAL B 32 29.643 19.404 12.743 1.00 0.08 H new ATOM 0 HG21 VAL B 32 30.186 21.998 11.176 1.00 0.08 H new ATOM 0 HG22 VAL B 32 28.905 20.824 10.792 1.00 0.08 H new ATOM 0 HG23 VAL B 32 28.494 22.536 11.053 1.00 0.08 H new ATOM 1842 N ILE B 33 27.348 21.877 15.393 1.00 0.08 N ATOM 1843 CA ILE B 33 27.142 21.728 16.861 1.00 0.08 C ATOM 1844 C ILE B 33 25.895 20.857 17.128 1.00 0.09 C ATOM 1845 O ILE B 33 25.994 19.792 17.704 1.00 0.10 O ATOM 1846 CB ILE B 33 26.993 23.126 17.473 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.358 23.828 17.441 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.517 23.017 18.917 1.00 0.09 C ATOM 1849 CD1 ILE B 33 28.203 25.310 17.800 1.00 0.08 C ATOM 0 H ILE B 33 27.545 22.827 15.078 1.00 0.08 H new ATOM 0 HA ILE B 33 27.995 21.230 17.321 1.00 0.08 H new ATOM 0 HB ILE B 33 26.262 23.697 16.901 1.00 0.08 H new ATOM 0 HG12 ILE B 33 29.039 23.346 18.143 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.801 23.731 16.450 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.414 24.015 19.343 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.553 22.510 18.945 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.243 22.448 19.498 1.00 0.09 H new ATOM 0 HD11 ILE B 33 29.179 25.795 17.773 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.539 25.791 17.082 1.00 0.08 H new ATOM 0 HD13 ILE B 33 27.781 25.400 18.801 1.00 0.08 H new ATOM 1861 N LEU B 34 24.730 21.280 16.699 1.00 0.08 N ATOM 1862 CA LEU B 34 23.497 20.453 16.914 1.00 0.09 C ATOM 1863 C LEU B 34 23.741 19.033 16.360 1.00 0.12 C ATOM 1864 O LEU B 34 23.303 18.055 16.931 1.00 0.16 O ATOM 1865 CB LEU B 34 22.317 21.128 16.149 1.00 0.10 C ATOM 1866 CG LEU B 34 21.273 21.869 17.065 1.00 0.10 C ATOM 1867 CD1 LEU B 34 21.841 22.302 18.428 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.769 23.117 16.327 1.00 0.11 C ATOM 0 H LEU B 34 24.578 22.162 16.209 1.00 0.08 H new ATOM 0 HA LEU B 34 23.258 20.384 17.975 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.727 21.844 15.437 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.795 20.366 15.570 1.00 0.10 H new ATOM 0 HG LEU B 34 20.471 21.159 17.266 1.00 0.10 H new ATOM 0 HD11 LEU B 34 21.064 22.806 19.003 1.00 0.10 H new ATOM 0 HD12 LEU B 34 22.185 21.424 18.974 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.677 22.984 18.274 1.00 0.10 H new ATOM 0 HD21 LEU B 34 20.044 23.641 16.951 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.609 23.778 16.114 1.00 0.11 H new ATOM 0 HD23 LEU B 34 20.295 22.820 15.391 1.00 0.11 H new ATOM 1880 N LYS B 35 24.418 18.916 15.252 1.00 0.13 N ATOM 1881 CA LYS B 35 24.666 17.565 14.662 1.00 0.17 C ATOM 1882 C LYS B 35 25.288 16.623 15.698 1.00 0.19 C ATOM 1883 O LYS B 35 24.929 15.465 15.783 1.00 0.28 O ATOM 1884 CB LYS B 35 25.607 17.700 13.456 1.00 0.16 C ATOM 1885 CG LYS B 35 25.491 16.456 12.553 1.00 0.19 C ATOM 1886 CD LYS B 35 24.339 16.628 11.553 1.00 0.26 C ATOM 1887 CE LYS B 35 24.312 15.433 10.598 1.00 0.70 C ATOM 1888 NZ LYS B 35 23.257 15.645 9.568 1.00 1.58 N ATOM 0 H LYS B 35 24.812 19.697 14.727 1.00 0.13 H new ATOM 0 HA LYS B 35 23.713 17.144 14.343 1.00 0.17 H new ATOM 0 HB2 LYS B 35 25.357 18.596 12.888 1.00 0.16 H new ATOM 0 HB3 LYS B 35 26.635 17.816 13.798 1.00 0.16 H new ATOM 0 HG2 LYS B 35 26.427 16.299 12.016 1.00 0.19 H new ATOM 0 HG3 LYS B 35 25.322 15.569 13.164 1.00 0.19 H new ATOM 0 HD2 LYS B 35 23.390 16.705 12.084 1.00 0.26 H new ATOM 0 HD3 LYS B 35 24.466 17.554 10.991 1.00 0.26 H new ATOM 0 HE2 LYS B 35 25.284 15.314 10.119 1.00 0.70 H new ATOM 0 HE3 LYS B 35 24.115 14.515 11.152 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 23.261 14.849 8.898 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 22.327 15.704 10.030 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 23.445 16.530 9.055 1.00 1.58 H new ATOM 1902 N ASP B 36 26.222 17.093 16.478 1.00 0.23 N ATOM 1903 CA ASP B 36 26.863 16.201 17.490 1.00 0.28 C ATOM 1904 C ASP B 36 26.054 16.202 18.786 1.00 0.26 C ATOM 1905 O ASP B 36 25.964 15.203 19.472 1.00 0.39 O ATOM 1906 CB ASP B 36 28.278 16.697 17.774 1.00 0.34 C ATOM 1907 CG ASP B 36 29.114 16.595 16.498 1.00 1.23 C ATOM 1908 OD1 ASP B 36 28.939 17.436 15.631 1.00 1.92 O ATOM 1909 OD2 ASP B 36 29.915 15.680 16.408 1.00 1.96 O ATOM 0 H ASP B 36 26.569 18.052 16.460 1.00 0.23 H new ATOM 0 HA ASP B 36 26.898 15.185 17.097 1.00 0.28 H new ATOM 0 HB2 ASP B 36 28.251 17.729 18.123 1.00 0.34 H new ATOM 0 HB3 ASP B 36 28.731 16.104 18.568 1.00 0.34 H new ATOM 1914 N ALA B 37 25.471 17.313 19.136 1.00 0.21 N ATOM 1915 CA ALA B 37 24.679 17.370 20.394 1.00 0.21 C ATOM 1916 C ALA B 37 23.326 16.707 20.182 1.00 0.20 C ATOM 1917 O ALA B 37 22.327 17.138 20.724 1.00 0.24 O ATOM 1918 CB ALA B 37 24.453 18.826 20.775 1.00 0.22 C ATOM 0 H ALA B 37 25.509 18.183 18.606 1.00 0.21 H new ATOM 0 HA ALA B 37 25.222 16.851 21.184 1.00 0.21 H new ATOM 0 HB1 ALA B 37 23.873 18.875 21.696 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.415 19.316 20.925 1.00 0.22 H new ATOM 0 HB3 ALA B 37 23.909 19.331 19.977 1.00 0.22 H new ATOM 1924 N ASP B 38 23.266 15.676 19.392 1.00 0.20 N ATOM 1925 CA ASP B 38 21.953 15.023 19.155 1.00 0.21 C ATOM 1926 C ASP B 38 20.965 16.104 18.716 1.00 0.18 C ATOM 1927 O ASP B 38 19.763 15.942 18.779 1.00 0.21 O ATOM 1928 CB ASP B 38 21.476 14.365 20.458 1.00 0.28 C ATOM 1929 CG ASP B 38 20.486 13.240 20.143 1.00 1.00 C ATOM 1930 OD1 ASP B 38 19.636 13.447 19.293 1.00 1.86 O ATOM 1931 OD2 ASP B 38 20.595 12.191 20.757 1.00 1.59 O ATOM 0 H ASP B 38 24.060 15.260 18.905 1.00 0.20 H new ATOM 0 HA ASP B 38 22.031 14.256 18.385 1.00 0.21 H new ATOM 0 HB2 ASP B 38 22.329 13.967 21.008 1.00 0.28 H new ATOM 0 HB3 ASP B 38 21.003 15.109 21.099 1.00 0.28 H new ATOM 1936 N ALA B 39 21.493 17.217 18.287 1.00 0.14 N ATOM 1937 CA ALA B 39 20.645 18.352 17.851 1.00 0.14 C ATOM 1938 C ALA B 39 19.825 18.858 19.037 1.00 0.15 C ATOM 1939 O ALA B 39 18.937 19.674 18.889 1.00 0.18 O ATOM 1940 CB ALA B 39 19.717 17.914 16.723 1.00 0.16 C ATOM 0 H ALA B 39 22.497 17.387 18.221 1.00 0.14 H new ATOM 0 HA ALA B 39 21.283 19.155 17.483 1.00 0.14 H new ATOM 0 HB1 ALA B 39 19.100 18.757 16.412 1.00 0.16 H new ATOM 0 HB2 ALA B 39 20.311 17.567 15.877 1.00 0.16 H new ATOM 0 HB3 ALA B 39 19.076 17.104 17.073 1.00 0.16 H new ATOM 1946 N ASN B 40 20.125 18.385 20.215 1.00 0.15 N ATOM 1947 CA ASN B 40 19.372 18.843 21.416 1.00 0.18 C ATOM 1948 C ASN B 40 19.921 20.211 21.834 1.00 0.15 C ATOM 1949 O ASN B 40 20.966 20.312 22.446 1.00 0.15 O ATOM 1950 CB ASN B 40 19.552 17.811 22.558 1.00 0.23 C ATOM 1951 CG ASN B 40 18.256 17.014 22.766 1.00 0.91 C ATOM 1952 OD1 ASN B 40 18.185 15.848 22.433 1.00 1.90 O ATOM 1953 ND2 ASN B 40 17.225 17.604 23.306 1.00 1.32 N ATOM 0 H ASN B 40 20.859 17.701 20.398 1.00 0.15 H new ATOM 0 HA ASN B 40 18.308 18.930 21.195 1.00 0.18 H new ATOM 0 HB2 ASN B 40 20.370 17.132 22.318 1.00 0.23 H new ATOM 0 HB3 ASN B 40 19.824 18.323 23.481 1.00 0.23 H new ATOM 0 HD21 ASN B 40 16.358 17.086 23.449 1.00 1.32 H new ATOM 0 HD22 ASN B 40 17.286 18.583 23.585 1.00 1.32 H new ATOM 1960 N ILE B 41 19.226 21.262 21.498 1.00 0.15 N ATOM 1961 CA ILE B 41 19.706 22.622 21.864 1.00 0.15 C ATOM 1962 C ILE B 41 20.142 22.639 23.330 1.00 0.15 C ATOM 1963 O ILE B 41 21.185 23.164 23.667 1.00 0.14 O ATOM 1964 CB ILE B 41 18.582 23.635 21.609 1.00 0.19 C ATOM 1965 CG1 ILE B 41 18.483 23.855 20.090 1.00 0.21 C ATOM 1966 CG2 ILE B 41 18.887 24.963 22.338 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.316 24.784 19.755 1.00 0.24 C ATOM 0 H ILE B 41 18.345 21.237 20.985 1.00 0.15 H new ATOM 0 HA ILE B 41 20.567 22.893 21.253 1.00 0.15 H new ATOM 0 HB ILE B 41 17.633 23.260 21.992 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.414 24.283 19.718 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.349 22.898 19.587 1.00 0.21 H new ATOM 0 HG21 ILE B 41 18.083 25.674 22.150 1.00 0.21 H new ATOM 0 HG22 ILE B 41 18.966 24.780 23.410 1.00 0.21 H new ATOM 0 HG23 ILE B 41 19.827 25.373 21.969 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.263 24.927 18.676 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.385 24.341 20.108 1.00 0.24 H new ATOM 0 HD13 ILE B 41 17.467 25.748 20.242 1.00 0.24 H new ATOM 1979 N GLU B 42 19.373 22.059 24.203 1.00 0.17 N ATOM 1980 CA GLU B 42 19.777 22.039 25.629 1.00 0.17 C ATOM 1981 C GLU B 42 21.146 21.374 25.725 1.00 0.16 C ATOM 1982 O GLU B 42 22.008 21.802 26.461 1.00 0.18 O ATOM 1983 CB GLU B 42 18.756 21.242 26.440 1.00 0.20 C ATOM 1984 CG GLU B 42 17.369 21.874 26.278 1.00 0.30 C ATOM 1985 CD GLU B 42 16.752 21.439 24.946 1.00 1.03 C ATOM 1986 OE1 GLU B 42 16.095 20.411 24.928 1.00 1.65 O ATOM 1987 OE2 GLU B 42 16.947 22.142 23.968 1.00 1.78 O ATOM 0 H GLU B 42 18.487 21.600 23.991 1.00 0.17 H new ATOM 0 HA GLU B 42 19.823 23.054 26.025 1.00 0.17 H new ATOM 0 HB2 GLU B 42 18.737 20.206 26.103 1.00 0.20 H new ATOM 0 HB3 GLU B 42 19.041 21.230 27.492 1.00 0.20 H new ATOM 0 HG2 GLU B 42 16.724 21.573 27.103 1.00 0.30 H new ATOM 0 HG3 GLU B 42 17.448 22.961 26.315 1.00 0.30 H new ATOM 1994 N GLU B 43 21.347 20.329 24.971 1.00 0.16 N ATOM 1995 CA GLU B 43 22.655 19.618 24.996 1.00 0.16 C ATOM 1996 C GLU B 43 23.718 20.457 24.280 1.00 0.14 C ATOM 1997 O GLU B 43 24.873 20.456 24.655 1.00 0.20 O ATOM 1998 CB GLU B 43 22.509 18.270 24.288 1.00 0.18 C ATOM 1999 CG GLU B 43 23.814 17.483 24.414 1.00 0.30 C ATOM 2000 CD GLU B 43 23.635 16.097 23.792 1.00 1.21 C ATOM 2001 OE1 GLU B 43 22.808 15.971 22.904 1.00 1.96 O ATOM 2002 OE2 GLU B 43 24.328 15.186 24.214 1.00 1.89 O ATOM 0 H GLU B 43 20.655 19.934 24.334 1.00 0.16 H new ATOM 0 HA GLU B 43 22.961 19.461 26.030 1.00 0.16 H new ATOM 0 HB2 GLU B 43 21.687 17.704 24.727 1.00 0.18 H new ATOM 0 HB3 GLU B 43 22.265 18.424 23.237 1.00 0.18 H new ATOM 0 HG2 GLU B 43 24.623 18.016 23.914 1.00 0.30 H new ATOM 0 HG3 GLU B 43 24.095 17.389 25.463 1.00 0.30 H new ATOM 2009 N ALA B 44 23.343 21.170 23.250 1.00 0.12 N ATOM 2010 CA ALA B 44 24.341 22.001 22.511 1.00 0.12 C ATOM 2011 C ALA B 44 24.563 23.325 23.252 1.00 0.12 C ATOM 2012 O ALA B 44 25.678 23.693 23.564 1.00 0.14 O ATOM 2013 CB ALA B 44 23.822 22.283 21.087 1.00 0.13 C ATOM 0 H ALA B 44 22.390 21.213 22.889 1.00 0.12 H new ATOM 0 HA ALA B 44 25.286 21.462 22.451 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.550 22.889 20.548 1.00 0.13 H new ATOM 0 HB2 ALA B 44 23.674 21.340 20.560 1.00 0.13 H new ATOM 0 HB3 ALA B 44 22.875 22.819 21.145 1.00 0.13 H new ATOM 2019 N SER B 45 23.511 24.046 23.517 1.00 0.12 N ATOM 2020 CA SER B 45 23.653 25.355 24.219 1.00 0.16 C ATOM 2021 C SER B 45 24.613 25.220 25.405 1.00 0.15 C ATOM 2022 O SER B 45 25.258 26.170 25.801 1.00 0.16 O ATOM 2023 CB SER B 45 22.287 25.815 24.722 1.00 0.19 C ATOM 2024 OG SER B 45 22.466 26.766 25.763 1.00 0.82 O ATOM 0 H SER B 45 22.554 23.786 23.278 1.00 0.12 H new ATOM 0 HA SER B 45 24.054 26.088 23.520 1.00 0.16 H new ATOM 0 HB2 SER B 45 21.715 26.256 23.905 1.00 0.19 H new ATOM 0 HB3 SER B 45 21.715 24.962 25.087 1.00 0.19 H new ATOM 0 HG SER B 45 21.591 27.065 26.087 1.00 0.82 H new ATOM 2030 N ARG B 46 24.715 24.052 25.977 1.00 0.17 N ATOM 2031 CA ARG B 46 25.635 23.877 27.135 1.00 0.20 C ATOM 2032 C ARG B 46 27.081 23.806 26.632 1.00 0.17 C ATOM 2033 O ARG B 46 28.015 24.052 27.369 1.00 0.23 O ATOM 2034 CB ARG B 46 25.273 22.592 27.890 1.00 0.24 C ATOM 2035 CG ARG B 46 23.859 22.734 28.490 1.00 0.84 C ATOM 2036 CD ARG B 46 23.207 21.366 28.744 1.00 1.21 C ATOM 2037 NE ARG B 46 23.633 20.853 30.091 1.00 1.63 N ATOM 2038 CZ ARG B 46 24.833 20.403 30.316 1.00 2.08 C ATOM 2039 NH1 ARG B 46 25.661 20.218 29.327 1.00 2.50 N ATOM 2040 NH2 ARG B 46 25.190 20.086 31.530 1.00 2.80 N ATOM 0 H ARG B 46 24.204 23.216 25.694 1.00 0.17 H new ATOM 0 HA ARG B 46 25.536 24.725 27.813 1.00 0.20 H new ATOM 0 HB2 ARG B 46 25.310 21.737 27.215 1.00 0.24 H new ATOM 0 HB3 ARG B 46 25.999 22.405 28.681 1.00 0.24 H new ATOM 0 HG2 ARG B 46 23.916 23.289 29.426 1.00 0.84 H new ATOM 0 HG3 ARG B 46 23.233 23.315 27.812 1.00 0.84 H new ATOM 0 HD2 ARG B 46 22.121 21.455 28.703 1.00 1.21 H new ATOM 0 HD3 ARG B 46 23.499 20.661 27.965 1.00 1.21 H new ATOM 0 HE ARG B 46 22.958 20.858 30.856 1.00 1.63 H new ATOM 0 HH11 ARG B 46 25.369 20.426 28.372 1.00 2.50 H new ATOM 0 HH12 ARG B 46 26.601 19.865 29.508 1.00 2.50 H new ATOM 0 HH21 ARG B 46 24.529 20.191 32.300 1.00 2.80 H new ATOM 0 HH22 ARG B 46 26.130 19.733 31.709 1.00 2.80 H new ATOM 2054 N ARG B 47 27.273 23.486 25.380 1.00 0.13 N ATOM 2055 CA ARG B 47 28.659 23.416 24.831 1.00 0.12 C ATOM 2056 C ARG B 47 29.125 24.828 24.475 1.00 0.11 C ATOM 2057 O ARG B 47 30.107 25.322 24.992 1.00 0.12 O ATOM 2058 CB ARG B 47 28.673 22.546 23.573 1.00 0.15 C ATOM 2059 CG ARG B 47 27.984 21.212 23.864 1.00 0.32 C ATOM 2060 CD ARG B 47 28.090 20.301 22.639 1.00 0.54 C ATOM 2061 NE ARG B 47 27.764 18.903 23.038 1.00 0.95 N ATOM 2062 CZ ARG B 47 27.519 18.001 22.127 1.00 1.20 C ATOM 2063 NH1 ARG B 47 27.557 18.322 20.863 1.00 1.81 N ATOM 2064 NH2 ARG B 47 27.236 16.778 22.482 1.00 1.62 N ATOM 0 H ARG B 47 26.531 23.270 24.714 1.00 0.13 H new ATOM 0 HA ARG B 47 29.325 22.981 25.576 1.00 0.12 H new ATOM 0 HB2 ARG B 47 28.164 23.060 22.758 1.00 0.15 H new ATOM 0 HB3 ARG B 47 29.699 22.374 23.249 1.00 0.15 H new ATOM 0 HG2 ARG B 47 28.447 20.733 24.727 1.00 0.32 H new ATOM 0 HG3 ARG B 47 26.937 21.379 24.116 1.00 0.32 H new ATOM 0 HD2 ARG B 47 27.406 20.638 21.860 1.00 0.54 H new ATOM 0 HD3 ARG B 47 29.096 20.348 22.222 1.00 0.54 H new ATOM 0 HE ARG B 47 27.732 18.650 24.026 1.00 0.95 H new ATOM 0 HH11 ARG B 47 27.778 19.278 20.586 1.00 1.81 H new ATOM 0 HH12 ARG B 47 27.365 17.617 20.152 1.00 1.81 H new ATOM 0 HH21 ARG B 47 27.206 16.528 23.470 1.00 1.62 H new ATOM 0 HH22 ARG B 47 27.044 16.072 21.771 1.00 1.62 H new ATOM 2078 N ILE B 48 28.415 25.482 23.597 1.00 0.10 N ATOM 2079 CA ILE B 48 28.793 26.871 23.200 1.00 0.09 C ATOM 2080 C ILE B 48 29.103 27.685 24.455 1.00 0.10 C ATOM 2081 O ILE B 48 30.178 28.230 24.605 1.00 0.10 O ATOM 2082 CB ILE B 48 27.631 27.502 22.438 1.00 0.10 C ATOM 2083 CG1 ILE B 48 27.215 26.553 21.309 1.00 0.10 C ATOM 2084 CG2 ILE B 48 28.081 28.841 21.850 1.00 0.10 C ATOM 2085 CD1 ILE B 48 26.162 27.219 20.428 1.00 0.10 C ATOM 0 H ILE B 48 27.584 25.113 23.134 1.00 0.10 H new ATOM 0 HA ILE B 48 29.676 26.853 22.561 1.00 0.09 H new ATOM 0 HB ILE B 48 26.787 27.672 23.107 1.00 0.10 H new ATOM 0 HG12 ILE B 48 28.085 26.284 20.710 1.00 0.10 H new ATOM 0 HG13 ILE B 48 26.818 25.628 21.728 1.00 0.10 H new ATOM 0 HG21 ILE B 48 27.254 29.295 21.305 1.00 0.10 H new ATOM 0 HG22 ILE B 48 28.393 29.506 22.656 1.00 0.10 H new ATOM 0 HG23 ILE B 48 28.917 28.677 21.170 1.00 0.10 H new ATOM 0 HD11 ILE B 48 25.872 26.537 19.628 1.00 0.10 H new ATOM 0 HD12 ILE B 48 25.287 27.465 21.030 1.00 0.10 H new ATOM 0 HD13 ILE B 48 26.573 28.131 19.996 1.00 0.10 H new ATOM 2097 N GLU B 49 28.174 27.757 25.367 1.00 0.10 N ATOM 2098 CA GLU B 49 28.422 28.520 26.625 1.00 0.11 C ATOM 2099 C GLU B 49 29.758 28.081 27.211 1.00 0.11 C ATOM 2100 O GLU B 49 30.682 28.859 27.342 1.00 0.12 O ATOM 2101 CB GLU B 49 27.327 28.193 27.634 1.00 0.13 C ATOM 2102 CG GLU B 49 26.025 28.902 27.252 1.00 0.14 C ATOM 2103 CD GLU B 49 25.035 28.808 28.414 1.00 0.16 C ATOM 2104 OE1 GLU B 49 24.459 27.747 28.591 1.00 1.10 O ATOM 2105 OE2 GLU B 49 24.869 29.798 29.107 1.00 1.07 O ATOM 0 H GLU B 49 27.254 27.322 25.297 1.00 0.10 H new ATOM 0 HA GLU B 49 28.430 29.589 26.411 1.00 0.11 H new ATOM 0 HB2 GLU B 49 27.166 27.116 27.670 1.00 0.13 H new ATOM 0 HB3 GLU B 49 27.638 28.502 28.632 1.00 0.13 H new ATOM 0 HG2 GLU B 49 26.224 29.947 27.013 1.00 0.14 H new ATOM 0 HG3 GLU B 49 25.598 28.446 26.359 1.00 0.14 H new ATOM 2112 N GLU B 50 29.870 26.823 27.543 1.00 0.12 N ATOM 2113 CA GLU B 50 31.151 26.312 28.096 1.00 0.12 C ATOM 2114 C GLU B 50 32.257 26.743 27.148 1.00 0.11 C ATOM 2115 O GLU B 50 33.409 26.820 27.505 1.00 0.11 O ATOM 2116 CB GLU B 50 31.105 24.785 28.184 1.00 0.14 C ATOM 2117 CG GLU B 50 32.442 24.262 28.713 1.00 0.17 C ATOM 2118 CD GLU B 50 32.285 22.802 29.142 1.00 1.14 C ATOM 2119 OE1 GLU B 50 31.324 22.181 28.719 1.00 1.97 O ATOM 2120 OE2 GLU B 50 33.128 22.330 29.887 1.00 1.78 O ATOM 0 H GLU B 50 29.128 26.129 27.454 1.00 0.12 H new ATOM 0 HA GLU B 50 31.326 26.707 29.097 1.00 0.12 H new ATOM 0 HB2 GLU B 50 30.294 24.473 28.842 1.00 0.14 H new ATOM 0 HB3 GLU B 50 30.899 24.360 27.202 1.00 0.14 H new ATOM 0 HG2 GLU B 50 33.208 24.345 27.942 1.00 0.17 H new ATOM 0 HG3 GLU B 50 32.773 24.867 29.557 1.00 0.17 H new ATOM 2127 N GLY B 51 31.892 27.047 25.937 1.00 0.10 N ATOM 2128 CA GLY B 51 32.906 27.504 24.944 1.00 0.09 C ATOM 2129 C GLY B 51 33.174 28.989 25.183 1.00 0.09 C ATOM 2130 O GLY B 51 34.297 29.407 25.386 1.00 0.10 O ATOM 0 H GLY B 51 30.934 27.000 25.589 1.00 0.10 H new ATOM 0 HA2 GLY B 51 33.827 26.930 25.049 1.00 0.09 H new ATOM 0 HA3 GLY B 51 32.544 27.342 23.929 1.00 0.09 H new ATOM 2134 N GLN B 52 32.138 29.783 25.186 1.00 0.10 N ATOM 2135 CA GLN B 52 32.305 31.245 25.440 1.00 0.11 C ATOM 2136 C GLN B 52 33.153 31.423 26.691 1.00 0.11 C ATOM 2137 O GLN B 52 34.091 32.194 26.721 1.00 0.13 O ATOM 2138 CB GLN B 52 30.926 31.873 25.654 1.00 0.13 C ATOM 2139 CG GLN B 52 30.053 31.592 24.429 1.00 0.19 C ATOM 2140 CD GLN B 52 30.538 32.439 23.253 1.00 0.54 C ATOM 2141 OE1 GLN B 52 30.078 32.194 22.058 1.00 1.37 O flip ATOM 2142 NE2 GLN B 52 31.342 33.333 23.424 1.00 0.74 N flip ATOM 0 H GLN B 52 31.177 29.481 25.023 1.00 0.10 H new ATOM 0 HA GLN B 52 32.792 31.728 24.593 1.00 0.11 H new ATOM 0 HB2 GLN B 52 30.460 31.462 26.550 1.00 0.13 H new ATOM 0 HB3 GLN B 52 31.022 32.948 25.809 1.00 0.13 H new ATOM 0 HG2 GLN B 52 30.098 30.534 24.172 1.00 0.19 H new ATOM 0 HG3 GLN B 52 29.011 31.822 24.651 1.00 0.19 H new ATOM 0 HE21 GLN B 52 31.701 33.524 24.359 1.00 0.74 H new ATOM 0 HE22 GLN B 52 31.658 33.893 22.632 1.00 0.74 H new ATOM 2151 N TYR B 53 32.836 30.697 27.721 1.00 0.11 N ATOM 2152 CA TYR B 53 33.632 30.805 28.974 1.00 0.13 C ATOM 2153 C TYR B 53 35.095 30.438 28.666 1.00 0.13 C ATOM 2154 O TYR B 53 36.009 31.140 29.050 1.00 0.16 O ATOM 2155 CB TYR B 53 33.046 29.863 30.047 1.00 0.14 C ATOM 2156 CG TYR B 53 34.079 29.594 31.122 1.00 0.17 C ATOM 2157 CD1 TYR B 53 35.058 28.627 30.900 1.00 0.17 C ATOM 2158 CD2 TYR B 53 34.066 30.316 32.321 1.00 0.22 C ATOM 2159 CE1 TYR B 53 36.031 28.372 31.866 1.00 0.22 C ATOM 2160 CE2 TYR B 53 35.042 30.065 33.295 1.00 0.26 C ATOM 2161 CZ TYR B 53 36.027 29.092 33.067 1.00 0.25 C ATOM 2162 OH TYR B 53 36.988 28.844 34.026 1.00 0.30 O ATOM 0 H TYR B 53 32.062 30.034 27.752 1.00 0.11 H new ATOM 0 HA TYR B 53 33.592 31.824 29.358 1.00 0.13 H new ATOM 0 HB2 TYR B 53 32.157 30.312 30.490 1.00 0.14 H new ATOM 0 HB3 TYR B 53 32.734 28.925 29.588 1.00 0.14 H new ATOM 0 HD1 TYR B 53 35.063 28.072 29.974 1.00 0.17 H new ATOM 0 HD2 TYR B 53 33.307 31.064 32.495 1.00 0.22 H new ATOM 0 HE1 TYR B 53 36.786 27.621 31.688 1.00 0.22 H new ATOM 0 HE2 TYR B 53 35.036 30.621 34.221 1.00 0.26 H new ATOM 0 HH TYR B 53 36.840 29.431 34.797 1.00 0.30 H new ATOM 2172 N VAL B 54 35.326 29.348 27.979 1.00 0.11 N ATOM 2173 CA VAL B 54 36.736 28.962 27.663 1.00 0.12 C ATOM 2174 C VAL B 54 37.431 30.138 26.981 1.00 0.12 C ATOM 2175 O VAL B 54 38.364 30.715 27.504 1.00 0.13 O ATOM 2176 CB VAL B 54 36.776 27.752 26.712 1.00 0.11 C ATOM 2177 CG1 VAL B 54 38.241 27.452 26.370 1.00 0.13 C ATOM 2178 CG2 VAL B 54 36.127 26.499 27.363 1.00 0.12 C ATOM 0 H VAL B 54 34.609 28.714 27.626 1.00 0.11 H new ATOM 0 HA VAL B 54 37.239 28.698 28.593 1.00 0.12 H new ATOM 0 HB VAL B 54 36.210 27.991 25.812 1.00 0.11 H new ATOM 0 HG11 VAL B 54 38.290 26.597 25.696 1.00 0.13 H new ATOM 0 HG12 VAL B 54 38.687 28.321 25.886 1.00 0.13 H new ATOM 0 HG13 VAL B 54 38.789 27.225 27.284 1.00 0.13 H new ATOM 0 HG21 VAL B 54 36.171 25.662 26.666 1.00 0.12 H new ATOM 0 HG22 VAL B 54 36.667 26.241 28.274 1.00 0.12 H new ATOM 0 HG23 VAL B 54 35.086 26.713 27.607 1.00 0.12 H new ATOM 2188 N VAL B 55 36.981 30.493 25.812 1.00 0.11 N ATOM 2189 CA VAL B 55 37.607 31.627 25.083 1.00 0.11 C ATOM 2190 C VAL B 55 37.660 32.842 26.006 1.00 0.14 C ATOM 2191 O VAL B 55 38.709 33.408 26.247 1.00 0.17 O ATOM 2192 CB VAL B 55 36.772 31.944 23.839 1.00 0.11 C ATOM 2193 CG1 VAL B 55 37.503 32.975 22.978 1.00 0.13 C ATOM 2194 CG2 VAL B 55 36.569 30.659 23.032 1.00 0.10 C ATOM 0 H VAL B 55 36.203 30.044 25.328 1.00 0.11 H new ATOM 0 HA VAL B 55 38.620 31.366 24.776 1.00 0.11 H new ATOM 0 HB VAL B 55 35.806 32.348 24.140 1.00 0.11 H new ATOM 0 HG11 VAL B 55 36.907 33.199 22.093 1.00 0.13 H new ATOM 0 HG12 VAL B 55 37.655 33.888 23.554 1.00 0.13 H new ATOM 0 HG13 VAL B 55 38.469 32.574 22.672 1.00 0.13 H new ATOM 0 HG21 VAL B 55 35.975 30.877 22.144 1.00 0.10 H new ATOM 0 HG22 VAL B 55 37.538 30.261 22.731 1.00 0.10 H new ATOM 0 HG23 VAL B 55 36.049 29.923 23.645 1.00 0.10 H new ATOM 2204 N ASN B 56 36.538 33.243 26.529 1.00 0.16 N ATOM 2205 CA ASN B 56 36.520 34.418 27.445 1.00 0.20 C ATOM 2206 C ASN B 56 37.519 34.190 28.584 1.00 0.22 C ATOM 2207 O ASN B 56 38.256 35.079 28.962 1.00 0.31 O ATOM 2208 CB ASN B 56 35.115 34.591 28.025 1.00 0.26 C ATOM 2209 CG ASN B 56 34.147 34.989 26.910 1.00 0.52 C ATOM 2210 OD1 ASN B 56 34.538 35.614 25.944 1.00 1.35 O ATOM 2211 ND2 ASN B 56 32.889 34.651 27.003 1.00 0.91 N ATOM 0 H ASN B 56 35.630 32.808 26.363 1.00 0.16 H new ATOM 0 HA ASN B 56 36.797 35.316 26.892 1.00 0.20 H new ATOM 0 HB2 ASN B 56 34.786 33.663 28.492 1.00 0.26 H new ATOM 0 HB3 ASN B 56 35.123 35.354 28.803 1.00 0.26 H new ATOM 0 HD21 ASN B 56 32.235 34.912 26.265 1.00 0.91 H new ATOM 0 HD22 ASN B 56 32.560 34.126 27.814 1.00 0.91 H new