USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 823 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 31 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 35 LYS NZ :NH3+ -148:sc= -0.181 (180deg=-1.27) USER MOD Set 2.1: B 13 CYS SG : rot -80:sc= -3.72! USER MOD Set 2.2: B 27 MET CE :methyl -138:sc= -0.67 (180deg=-3.6!) USER MOD Set 3.1: B 22 TYR OH : rot -81:sc= -1.78! USER MOD Set 3.2: B 52 GLN : amide:sc= -4.61! C(o=-6.4!,f=-5.4!) USER MOD Set 4.1: A 22 TYR OH : rot -60:sc= -2.22! USER MOD Set 4.2: A 52 GLN : amide:sc= -4.17! C(o=-6.4!,f=-5.2!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 88:sc= -0.921 USER MOD Single : A 14 GLN : amide:sc= -1.68! K(o=-1.7!,f=-0.043) USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= -1.55 (180deg=-2.7!) USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -0.0198 (180deg=-0.416) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -155:sc= -0.243 (180deg=-3.31!) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.0193 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -4.66! K(o=-4.7!,f=-0.51) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.295 USER MOD Single : A 56 ASN : amide:sc= -0.0847 K(o=-0.085,f=-1.6) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 GLN : amide:sc= -0.559 K(o=-0.56,f=-4.1!) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -126:sc= -0.746 (180deg=-2.28!) USER MOD Single : B 30 MET CE :methyl -162:sc= -0.741 (180deg=-2.05) USER MOD Single : B 40 ASN : amide:sc= 0.279 X(o=0.28,f=0) USER MOD Single : B 45 SER OG : rot 180:sc= 0 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc=-0.000792 K(o=-0.00079,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 44.478 24.315 22.105 1.00 0.27 N ATOM 107 CA PHE A 9 43.055 24.189 21.688 1.00 0.25 C ATOM 108 C PHE A 9 42.562 25.568 21.255 1.00 0.25 C ATOM 109 O PHE A 9 41.714 25.698 20.394 1.00 0.36 O ATOM 110 CB PHE A 9 42.222 23.681 22.870 1.00 0.23 C ATOM 111 CG PHE A 9 40.884 23.186 22.379 1.00 0.19 C ATOM 112 CD1 PHE A 9 39.806 24.072 22.285 1.00 0.20 C ATOM 113 CD2 PHE A 9 40.719 21.841 22.023 1.00 0.19 C ATOM 114 CE1 PHE A 9 38.563 23.615 21.835 1.00 0.21 C ATOM 115 CE2 PHE A 9 39.474 21.385 21.572 1.00 0.19 C ATOM 116 CZ PHE A 9 38.397 22.274 21.478 1.00 0.20 C ATOM 0 HA PHE A 9 42.958 23.484 20.863 1.00 0.25 H new ATOM 0 HB2 PHE A 9 42.752 22.877 23.381 1.00 0.23 H new ATOM 0 HB3 PHE A 9 42.079 24.481 23.596 1.00 0.23 H new ATOM 0 HD1 PHE A 9 39.933 25.109 22.560 1.00 0.20 H new ATOM 0 HD2 PHE A 9 41.551 21.156 22.096 1.00 0.19 H new ATOM 0 HE1 PHE A 9 37.730 24.299 21.763 1.00 0.21 H new ATOM 0 HE2 PHE A 9 39.345 20.349 21.297 1.00 0.19 H new ATOM 0 HZ PHE A 9 37.437 21.923 21.129 1.00 0.20 H new ATOM 126 N LEU A 10 43.109 26.603 21.836 1.00 0.21 N ATOM 127 CA LEU A 10 42.698 27.979 21.451 1.00 0.21 C ATOM 128 C LEU A 10 43.397 28.345 20.141 1.00 0.22 C ATOM 129 O LEU A 10 42.845 29.020 19.294 1.00 0.27 O ATOM 130 CB LEU A 10 43.120 28.968 22.540 1.00 0.24 C ATOM 131 CG LEU A 10 42.364 28.673 23.843 1.00 0.27 C ATOM 132 CD1 LEU A 10 42.902 29.589 24.943 1.00 0.31 C ATOM 133 CD2 LEU A 10 40.845 28.912 23.650 1.00 0.28 C ATOM 0 H LEU A 10 43.824 26.552 22.562 1.00 0.21 H new ATOM 0 HA LEU A 10 41.616 28.022 21.329 1.00 0.21 H new ATOM 0 HB2 LEU A 10 44.194 28.897 22.710 1.00 0.24 H new ATOM 0 HB3 LEU A 10 42.915 29.988 22.215 1.00 0.24 H new ATOM 0 HG LEU A 10 42.514 27.630 24.123 1.00 0.27 H new ATOM 0 HD11 LEU A 10 42.372 29.389 25.874 1.00 0.31 H new ATOM 0 HD12 LEU A 10 43.967 29.402 25.084 1.00 0.31 H new ATOM 0 HD13 LEU A 10 42.751 30.630 24.656 1.00 0.31 H new ATOM 0 HD21 LEU A 10 40.322 28.699 24.582 1.00 0.28 H new ATOM 0 HD22 LEU A 10 40.673 29.950 23.367 1.00 0.28 H new ATOM 0 HD23 LEU A 10 40.470 28.255 22.865 1.00 0.28 H new ATOM 145 N ASP A 11 44.613 27.899 19.970 1.00 0.21 N ATOM 146 CA ASP A 11 45.355 28.211 18.716 1.00 0.23 C ATOM 147 C ASP A 11 44.559 27.692 17.519 1.00 0.20 C ATOM 148 O ASP A 11 44.243 28.428 16.606 1.00 0.29 O ATOM 149 CB ASP A 11 46.729 27.533 18.748 1.00 0.27 C ATOM 150 CG ASP A 11 47.655 28.295 19.696 1.00 1.08 C ATOM 151 OD1 ASP A 11 47.478 28.168 20.896 1.00 1.64 O ATOM 152 OD2 ASP A 11 48.528 28.993 19.205 1.00 1.92 O ATOM 0 H ASP A 11 45.124 27.331 20.646 1.00 0.21 H new ATOM 0 HA ASP A 11 45.488 29.289 18.630 1.00 0.23 H new ATOM 0 HB2 ASP A 11 46.628 26.498 19.076 1.00 0.27 H new ATOM 0 HB3 ASP A 11 47.157 27.509 17.746 1.00 0.27 H new ATOM 157 N TYR A 12 44.231 26.428 17.514 1.00 0.14 N ATOM 158 CA TYR A 12 43.456 25.871 16.373 1.00 0.12 C ATOM 159 C TYR A 12 42.201 26.715 16.158 1.00 0.11 C ATOM 160 O TYR A 12 41.921 27.170 15.066 1.00 0.15 O ATOM 161 CB TYR A 12 43.048 24.423 16.679 1.00 0.12 C ATOM 162 CG TYR A 12 44.280 23.540 16.771 1.00 0.16 C ATOM 163 CD1 TYR A 12 45.127 23.391 15.663 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.573 22.864 17.963 1.00 0.20 C ATOM 165 CE1 TYR A 12 46.260 22.573 15.751 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.706 22.046 18.049 1.00 0.27 C ATOM 167 CZ TYR A 12 46.549 21.901 16.943 1.00 0.30 C ATOM 168 OH TYR A 12 47.665 21.094 17.028 1.00 0.37 O ATOM 0 H TYR A 12 44.466 25.761 18.249 1.00 0.14 H new ATOM 0 HA TYR A 12 44.072 25.889 15.474 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.493 24.384 17.616 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.383 24.052 15.899 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.905 23.908 14.741 1.00 0.22 H new ATOM 0 HD2 TYR A 12 43.923 22.974 18.818 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.912 22.461 14.897 1.00 0.28 H new ATOM 0 HE2 TYR A 12 45.929 21.527 18.970 1.00 0.27 H new ATOM 0 HH TYR A 12 47.719 20.703 17.925 1.00 0.37 H new ATOM 178 N CYS A 13 41.446 26.927 17.197 1.00 0.12 N ATOM 179 CA CYS A 13 40.203 27.740 17.082 1.00 0.15 C ATOM 180 C CYS A 13 40.487 29.004 16.272 1.00 0.16 C ATOM 181 O CYS A 13 39.769 29.336 15.350 1.00 0.19 O ATOM 182 CB CYS A 13 39.726 28.126 18.484 1.00 0.19 C ATOM 183 SG CYS A 13 38.930 26.700 19.266 1.00 1.38 S ATOM 0 H CYS A 13 41.638 26.568 18.132 1.00 0.12 H new ATOM 0 HA CYS A 13 39.431 27.159 16.578 1.00 0.15 H new ATOM 0 HB2 CYS A 13 40.570 28.461 19.087 1.00 0.19 H new ATOM 0 HB3 CYS A 13 39.026 28.959 18.425 1.00 0.19 H new ATOM 0 HG CYS A 13 39.826 25.985 19.880 1.00 1.38 H new ATOM 189 N GLN A 14 41.528 29.711 16.607 1.00 0.17 N ATOM 190 CA GLN A 14 41.855 30.950 15.853 1.00 0.21 C ATOM 191 C GLN A 14 41.819 30.654 14.351 1.00 0.21 C ATOM 192 O GLN A 14 41.100 31.284 13.604 1.00 0.28 O ATOM 193 CB GLN A 14 43.251 31.436 16.250 1.00 0.25 C ATOM 194 CG GLN A 14 43.567 32.736 15.510 1.00 0.64 C ATOM 195 CD GLN A 14 44.815 33.380 16.116 1.00 0.78 C ATOM 196 OE1 GLN A 14 45.255 34.420 15.667 1.00 1.68 O ATOM 197 NE2 GLN A 14 45.409 32.803 17.124 1.00 1.31 N ATOM 0 H GLN A 14 42.166 29.484 17.370 1.00 0.17 H new ATOM 0 HA GLN A 14 41.125 31.725 16.087 1.00 0.21 H new ATOM 0 HB2 GLN A 14 43.299 31.597 17.327 1.00 0.25 H new ATOM 0 HB3 GLN A 14 43.995 30.677 16.008 1.00 0.25 H new ATOM 0 HG2 GLN A 14 43.727 32.534 14.451 1.00 0.64 H new ATOM 0 HG3 GLN A 14 42.722 33.421 15.579 1.00 0.64 H new ATOM 0 HE21 GLN A 14 45.040 31.930 17.502 1.00 1.31 H new ATOM 0 HE22 GLN A 14 46.242 33.225 17.535 1.00 1.31 H new ATOM 206 N LYS A 15 42.582 29.692 13.904 1.00 0.20 N ATOM 207 CA LYS A 15 42.582 29.358 12.450 1.00 0.22 C ATOM 208 C LYS A 15 41.139 29.206 11.962 1.00 0.19 C ATOM 209 O LYS A 15 40.699 29.903 11.070 1.00 0.22 O ATOM 210 CB LYS A 15 43.332 28.045 12.235 1.00 0.25 C ATOM 211 CG LYS A 15 44.789 28.215 12.688 1.00 0.57 C ATOM 212 CD LYS A 15 45.499 26.847 12.780 1.00 1.16 C ATOM 213 CE LYS A 15 46.119 26.472 11.428 1.00 1.52 C ATOM 214 NZ LYS A 15 45.056 26.380 10.389 1.00 2.24 N ATOM 0 H LYS A 15 43.203 29.125 14.481 1.00 0.20 H new ATOM 0 HA LYS A 15 43.072 30.155 11.891 1.00 0.22 H new ATOM 0 HB2 LYS A 15 42.855 27.243 12.799 1.00 0.25 H new ATOM 0 HB3 LYS A 15 43.297 27.760 11.183 1.00 0.25 H new ATOM 0 HG2 LYS A 15 45.320 28.859 11.986 1.00 0.57 H new ATOM 0 HG3 LYS A 15 44.817 28.710 13.659 1.00 0.57 H new ATOM 0 HD2 LYS A 15 46.275 26.884 13.545 1.00 1.16 H new ATOM 0 HD3 LYS A 15 44.787 26.081 13.085 1.00 1.16 H new ATOM 0 HE2 LYS A 15 46.859 27.218 11.138 1.00 1.52 H new ATOM 0 HE3 LYS A 15 46.642 25.519 11.510 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 45.370 25.746 9.627 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 44.185 26.004 10.816 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 44.870 27.326 9.998 1.00 2.24 H new ATOM 228 N LEU A 16 40.397 28.305 12.547 1.00 0.15 N ATOM 229 CA LEU A 16 38.978 28.114 12.125 1.00 0.13 C ATOM 230 C LEU A 16 38.289 29.485 12.094 1.00 0.13 C ATOM 231 O LEU A 16 37.331 29.701 11.379 1.00 0.17 O ATOM 232 CB LEU A 16 38.279 27.182 13.148 1.00 0.11 C ATOM 233 CG LEU A 16 37.443 26.100 12.435 1.00 0.14 C ATOM 234 CD1 LEU A 16 38.359 25.172 11.607 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.677 25.288 13.493 1.00 0.17 C ATOM 0 H LEU A 16 40.712 27.692 13.299 1.00 0.15 H new ATOM 0 HA LEU A 16 38.923 27.663 11.134 1.00 0.13 H new ATOM 0 HB2 LEU A 16 39.028 26.708 13.783 1.00 0.11 H new ATOM 0 HB3 LEU A 16 37.635 27.772 13.801 1.00 0.11 H new ATOM 0 HG LEU A 16 36.736 26.574 11.754 1.00 0.14 H new ATOM 0 HD11 LEU A 16 37.755 24.413 11.110 1.00 0.26 H new ATOM 0 HD12 LEU A 16 38.892 25.759 10.859 1.00 0.26 H new ATOM 0 HD13 LEU A 16 39.078 24.687 12.267 1.00 0.26 H new ATOM 0 HD21 LEU A 16 36.082 24.519 13.001 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.386 24.817 14.174 1.00 0.17 H new ATOM 0 HD23 LEU A 16 36.020 25.951 14.055 1.00 0.17 H new ATOM 247 N LEU A 17 38.775 30.401 12.883 1.00 0.12 N ATOM 248 CA LEU A 17 38.169 31.762 12.939 1.00 0.13 C ATOM 249 C LEU A 17 38.729 32.631 11.802 1.00 0.15 C ATOM 250 O LEU A 17 38.031 33.444 11.229 1.00 0.22 O ATOM 251 CB LEU A 17 38.514 32.379 14.309 1.00 0.12 C ATOM 252 CG LEU A 17 37.404 33.338 14.782 1.00 0.12 C ATOM 253 CD1 LEU A 17 36.234 32.546 15.392 1.00 0.12 C ATOM 254 CD2 LEU A 17 37.971 34.292 15.847 1.00 0.13 C ATOM 0 H LEU A 17 39.576 30.264 13.499 1.00 0.12 H new ATOM 0 HA LEU A 17 37.087 31.705 12.818 1.00 0.13 H new ATOM 0 HB2 LEU A 17 38.651 31.586 15.044 1.00 0.12 H new ATOM 0 HB3 LEU A 17 39.459 32.917 14.241 1.00 0.12 H new ATOM 0 HG LEU A 17 37.043 33.905 13.924 1.00 0.12 H new ATOM 0 HD11 LEU A 17 35.459 33.238 15.721 1.00 0.12 H new ATOM 0 HD12 LEU A 17 35.823 31.870 14.643 1.00 0.12 H new ATOM 0 HD13 LEU A 17 36.591 31.969 16.245 1.00 0.12 H new ATOM 0 HD21 LEU A 17 37.187 34.971 16.182 1.00 0.13 H new ATOM 0 HD22 LEU A 17 38.337 33.714 16.695 1.00 0.13 H new ATOM 0 HD23 LEU A 17 38.791 34.868 15.419 1.00 0.13 H new ATOM 266 N GLU A 18 39.984 32.471 11.480 1.00 0.20 N ATOM 267 CA GLU A 18 40.590 33.293 10.390 1.00 0.25 C ATOM 268 C GLU A 18 40.115 32.784 9.032 1.00 0.21 C ATOM 269 O GLU A 18 39.555 33.517 8.241 1.00 0.25 O ATOM 270 CB GLU A 18 42.115 33.177 10.445 1.00 0.32 C ATOM 271 CG GLU A 18 42.626 33.599 11.823 1.00 1.41 C ATOM 272 CD GLU A 18 42.649 35.127 11.923 1.00 2.13 C ATOM 273 OE1 GLU A 18 41.594 35.703 12.133 1.00 2.62 O ATOM 274 OE2 GLU A 18 43.720 35.694 11.787 1.00 2.77 O ATOM 0 H GLU A 18 40.617 31.806 11.924 1.00 0.20 H new ATOM 0 HA GLU A 18 40.288 34.332 10.524 1.00 0.25 H new ATOM 0 HB2 GLU A 18 42.417 32.151 10.235 1.00 0.32 H new ATOM 0 HB3 GLU A 18 42.563 33.805 9.675 1.00 0.32 H new ATOM 0 HG2 GLU A 18 41.985 33.184 12.601 1.00 1.41 H new ATOM 0 HG3 GLU A 18 43.627 33.200 11.988 1.00 1.41 H new ATOM 281 N LYS A 19 40.352 31.534 8.751 1.00 0.20 N ATOM 282 CA LYS A 19 39.940 30.965 7.446 1.00 0.20 C ATOM 283 C LYS A 19 38.498 31.370 7.128 1.00 0.18 C ATOM 284 O LYS A 19 38.213 31.896 6.071 1.00 0.24 O ATOM 285 CB LYS A 19 40.057 29.442 7.530 1.00 0.22 C ATOM 286 CG LYS A 19 41.517 29.023 7.331 1.00 0.30 C ATOM 287 CD LYS A 19 41.642 27.507 7.493 1.00 0.37 C ATOM 288 CE LYS A 19 43.117 27.131 7.640 1.00 0.92 C ATOM 289 NZ LYS A 19 43.884 27.672 6.483 1.00 1.77 N ATOM 0 H LYS A 19 40.818 30.879 9.378 1.00 0.20 H new ATOM 0 HA LYS A 19 40.582 31.344 6.651 1.00 0.20 H new ATOM 0 HB2 LYS A 19 39.697 29.093 8.498 1.00 0.22 H new ATOM 0 HB3 LYS A 19 39.429 28.977 6.770 1.00 0.22 H new ATOM 0 HG2 LYS A 19 41.860 29.323 6.341 1.00 0.30 H new ATOM 0 HG3 LYS A 19 42.154 29.530 8.056 1.00 0.30 H new ATOM 0 HD2 LYS A 19 41.082 27.176 8.368 1.00 0.37 H new ATOM 0 HD3 LYS A 19 41.211 27.001 6.629 1.00 0.37 H new ATOM 0 HE2 LYS A 19 43.514 27.531 8.573 1.00 0.92 H new ATOM 0 HE3 LYS A 19 43.224 26.047 7.687 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 44.811 27.203 6.431 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 43.357 27.496 5.604 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 44.021 28.696 6.605 1.00 1.77 H new ATOM 303 N PHE A 20 37.588 31.145 8.032 1.00 0.16 N ATOM 304 CA PHE A 20 36.181 31.535 7.773 1.00 0.16 C ATOM 305 C PHE A 20 36.045 33.036 8.025 1.00 0.19 C ATOM 306 O PHE A 20 34.971 33.600 7.950 1.00 0.30 O ATOM 307 CB PHE A 20 35.271 30.766 8.723 1.00 0.14 C ATOM 308 CG PHE A 20 35.249 29.305 8.334 1.00 0.13 C ATOM 309 CD1 PHE A 20 36.349 28.494 8.636 1.00 0.13 C ATOM 310 CD2 PHE A 20 34.134 28.757 7.674 1.00 0.13 C ATOM 311 CE1 PHE A 20 36.342 27.141 8.283 1.00 0.12 C ATOM 312 CE2 PHE A 20 34.130 27.402 7.323 1.00 0.13 C ATOM 313 CZ PHE A 20 35.233 26.595 7.627 1.00 0.12 C ATOM 0 H PHE A 20 37.760 30.708 8.938 1.00 0.16 H new ATOM 0 HA PHE A 20 35.901 31.306 6.745 1.00 0.16 H new ATOM 0 HB2 PHE A 20 35.624 30.874 9.748 1.00 0.14 H new ATOM 0 HB3 PHE A 20 34.262 31.177 8.689 1.00 0.14 H new ATOM 0 HD1 PHE A 20 37.205 28.914 9.143 1.00 0.13 H new ATOM 0 HD2 PHE A 20 33.284 29.380 7.439 1.00 0.13 H new ATOM 0 HE1 PHE A 20 37.192 26.517 8.517 1.00 0.12 H new ATOM 0 HE2 PHE A 20 33.275 26.978 6.817 1.00 0.13 H new ATOM 0 HZ PHE A 20 35.228 25.550 7.355 1.00 0.12 H new ATOM 323 N ARG A 21 37.141 33.685 8.319 1.00 0.18 N ATOM 324 CA ARG A 21 37.107 35.153 8.575 1.00 0.21 C ATOM 325 C ARG A 21 35.976 35.497 9.550 1.00 0.18 C ATOM 326 O ARG A 21 35.260 36.460 9.359 1.00 0.19 O ATOM 327 CB ARG A 21 36.880 35.893 7.254 1.00 0.29 C ATOM 328 CG ARG A 21 38.038 35.595 6.292 1.00 0.65 C ATOM 329 CD ARG A 21 37.964 36.518 5.055 1.00 1.12 C ATOM 330 NE ARG A 21 38.236 35.724 3.812 1.00 1.93 N ATOM 331 CZ ARG A 21 39.249 34.899 3.741 1.00 2.67 C ATOM 332 NH1 ARG A 21 40.119 34.835 4.710 1.00 2.95 N ATOM 333 NH2 ARG A 21 39.410 34.159 2.678 1.00 3.64 N ATOM 0 H ARG A 21 38.064 33.257 8.393 1.00 0.18 H new ATOM 0 HA ARG A 21 38.057 35.458 9.013 1.00 0.21 H new ATOM 0 HB2 ARG A 21 35.935 35.582 6.809 1.00 0.29 H new ATOM 0 HB3 ARG A 21 36.810 36.966 7.434 1.00 0.29 H new ATOM 0 HG2 ARG A 21 38.990 35.738 6.804 1.00 0.65 H new ATOM 0 HG3 ARG A 21 37.999 34.552 5.978 1.00 0.65 H new ATOM 0 HD2 ARG A 21 36.979 36.981 4.994 1.00 1.12 H new ATOM 0 HD3 ARG A 21 38.690 37.325 5.148 1.00 1.12 H new ATOM 0 HE ARG A 21 37.619 35.829 3.006 1.00 1.93 H new ATOM 0 HH11 ARG A 21 40.013 35.431 5.531 1.00 2.95 H new ATOM 0 HH12 ARG A 21 40.906 34.189 4.647 1.00 2.95 H new ATOM 0 HH21 ARG A 21 38.747 34.225 1.906 1.00 3.64 H new ATOM 0 HH22 ARG A 21 40.199 33.515 2.620 1.00 3.64 H new ATOM 347 N TYR A 22 35.803 34.729 10.596 1.00 0.15 N ATOM 348 CA TYR A 22 34.713 35.038 11.570 1.00 0.13 C ATOM 349 C TYR A 22 35.204 36.139 12.544 1.00 0.14 C ATOM 350 O TYR A 22 36.389 36.228 12.797 1.00 0.15 O ATOM 351 CB TYR A 22 34.375 33.773 12.384 1.00 0.11 C ATOM 352 CG TYR A 22 33.397 32.868 11.641 1.00 0.11 C ATOM 353 CD1 TYR A 22 32.163 33.358 11.172 1.00 0.12 C ATOM 354 CD2 TYR A 22 33.726 31.518 11.436 1.00 0.11 C ATOM 355 CE1 TYR A 22 31.277 32.504 10.504 1.00 0.13 C ATOM 356 CE2 TYR A 22 32.836 30.669 10.768 1.00 0.12 C ATOM 357 CZ TYR A 22 31.614 31.162 10.302 1.00 0.13 C ATOM 358 OH TYR A 22 30.739 30.324 9.645 1.00 0.15 O ATOM 0 H TYR A 22 36.365 33.907 10.817 1.00 0.15 H new ATOM 0 HA TYR A 22 33.829 35.377 11.031 1.00 0.13 H new ATOM 0 HB2 TYR A 22 35.291 33.222 12.597 1.00 0.11 H new ATOM 0 HB3 TYR A 22 33.946 34.062 13.344 1.00 0.11 H new ATOM 0 HD1 TYR A 22 31.900 34.394 11.328 1.00 0.12 H new ATOM 0 HD2 TYR A 22 34.669 31.134 11.795 1.00 0.11 H new ATOM 0 HE1 TYR A 22 30.332 32.882 10.144 1.00 0.13 H new ATOM 0 HE2 TYR A 22 33.094 29.632 10.612 1.00 0.12 H new ATOM 0 HH TYR A 22 29.893 30.283 10.138 1.00 0.15 H new ATOM 368 N PRO A 23 34.293 36.932 13.091 1.00 0.14 N ATOM 369 CA PRO A 23 34.671 37.986 14.056 1.00 0.16 C ATOM 370 C PRO A 23 35.336 37.353 15.291 1.00 0.16 C ATOM 371 O PRO A 23 35.437 36.148 15.409 1.00 0.15 O ATOM 372 CB PRO A 23 33.345 38.686 14.435 1.00 0.17 C ATOM 373 CG PRO A 23 32.196 37.924 13.717 1.00 0.15 C ATOM 374 CD PRO A 23 32.844 36.861 12.800 1.00 0.14 C ATOM 0 HA PRO A 23 35.388 38.694 13.640 1.00 0.16 H new ATOM 0 HB2 PRO A 23 33.199 38.672 15.515 1.00 0.17 H new ATOM 0 HB3 PRO A 23 33.362 39.732 14.129 1.00 0.17 H new ATOM 0 HG2 PRO A 23 31.536 37.451 14.445 1.00 0.15 H new ATOM 0 HG3 PRO A 23 31.585 38.613 13.133 1.00 0.15 H new ATOM 0 HD2 PRO A 23 32.448 35.867 13.008 1.00 0.14 H new ATOM 0 HD3 PRO A 23 32.642 37.071 11.750 1.00 0.14 H new ATOM 382 N TRP A 24 35.790 38.168 16.202 1.00 0.18 N ATOM 383 CA TRP A 24 36.455 37.641 17.431 1.00 0.19 C ATOM 384 C TRP A 24 35.407 37.170 18.451 1.00 0.19 C ATOM 385 O TRP A 24 35.730 36.514 19.422 1.00 0.21 O ATOM 386 CB TRP A 24 37.305 38.752 18.056 1.00 0.21 C ATOM 387 CG TRP A 24 37.884 38.274 19.351 1.00 0.28 C ATOM 388 CD1 TRP A 24 37.529 38.731 20.575 1.00 0.34 C ATOM 389 CD2 TRP A 24 38.905 37.259 19.574 1.00 0.33 C ATOM 390 NE1 TRP A 24 38.267 38.061 21.533 1.00 0.42 N ATOM 391 CE2 TRP A 24 39.130 37.144 20.966 1.00 0.42 C ATOM 392 CE3 TRP A 24 39.651 36.436 18.711 1.00 0.35 C ATOM 393 CZ2 TRP A 24 40.061 36.244 21.485 1.00 0.50 C ATOM 394 CZ3 TRP A 24 40.590 35.529 19.230 1.00 0.45 C ATOM 395 CH2 TRP A 24 40.794 35.433 20.614 1.00 0.52 C ATOM 0 H TRP A 24 35.729 39.185 16.149 1.00 0.18 H new ATOM 0 HA TRP A 24 37.084 36.794 17.158 1.00 0.19 H new ATOM 0 HB2 TRP A 24 38.104 39.040 17.373 1.00 0.21 H new ATOM 0 HB3 TRP A 24 36.695 39.639 18.225 1.00 0.21 H new ATOM 0 HD1 TRP A 24 36.790 39.494 20.771 1.00 0.34 H new ATOM 0 HE1 TRP A 24 38.184 38.224 22.536 1.00 0.42 H new ATOM 0 HE3 TRP A 24 39.501 36.502 17.643 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 40.214 36.174 22.552 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 41.158 34.902 18.559 1.00 0.45 H new ATOM 0 HH2 TRP A 24 41.517 34.733 21.007 1.00 0.52 H new ATOM 406 N GLU A 25 34.167 37.526 18.264 1.00 0.18 N ATOM 407 CA GLU A 25 33.117 37.128 19.250 1.00 0.21 C ATOM 408 C GLU A 25 32.665 35.673 19.048 1.00 0.17 C ATOM 409 O GLU A 25 32.015 35.105 19.904 1.00 0.20 O ATOM 410 CB GLU A 25 31.908 38.053 19.088 1.00 0.29 C ATOM 411 CG GLU A 25 30.808 37.636 20.068 1.00 1.15 C ATOM 412 CD GLU A 25 29.768 38.752 20.176 1.00 1.55 C ATOM 413 OE1 GLU A 25 28.920 38.831 19.302 1.00 1.97 O ATOM 414 OE2 GLU A 25 29.835 39.508 21.131 1.00 2.18 O ATOM 0 H GLU A 25 33.833 38.075 17.472 1.00 0.18 H new ATOM 0 HA GLU A 25 33.542 37.213 20.250 1.00 0.21 H new ATOM 0 HB2 GLU A 25 32.201 39.087 19.272 1.00 0.29 H new ATOM 0 HB3 GLU A 25 31.535 38.005 18.065 1.00 0.29 H new ATOM 0 HG2 GLU A 25 30.334 36.715 19.728 1.00 1.15 H new ATOM 0 HG3 GLU A 25 31.239 37.430 21.048 1.00 1.15 H new ATOM 421 N LEU A 26 32.973 35.061 17.932 1.00 0.13 N ATOM 422 CA LEU A 26 32.516 33.647 17.710 1.00 0.11 C ATOM 423 C LEU A 26 33.569 32.640 18.175 1.00 0.10 C ATOM 424 O LEU A 26 33.642 31.540 17.665 1.00 0.11 O ATOM 425 CB LEU A 26 32.244 33.416 16.224 1.00 0.10 C ATOM 426 CG LEU A 26 31.407 34.562 15.648 1.00 0.10 C ATOM 427 CD1 LEU A 26 30.884 34.146 14.275 1.00 0.11 C ATOM 428 CD2 LEU A 26 30.219 34.873 16.570 1.00 0.12 C ATOM 0 H LEU A 26 33.515 35.470 17.171 1.00 0.13 H new ATOM 0 HA LEU A 26 31.606 33.500 18.292 1.00 0.11 H new ATOM 0 HB2 LEU A 26 33.187 33.339 15.683 1.00 0.10 H new ATOM 0 HB3 LEU A 26 31.720 32.470 16.087 1.00 0.10 H new ATOM 0 HG LEU A 26 32.028 35.454 15.564 1.00 0.10 H new ATOM 0 HD11 LEU A 26 30.286 34.954 13.853 1.00 0.11 H new ATOM 0 HD12 LEU A 26 31.725 33.934 13.614 1.00 0.11 H new ATOM 0 HD13 LEU A 26 30.268 33.253 14.376 1.00 0.11 H new ATOM 0 HD21 LEU A 26 29.634 35.690 16.147 1.00 0.12 H new ATOM 0 HD22 LEU A 26 29.590 33.988 16.665 1.00 0.12 H new ATOM 0 HD23 LEU A 26 30.588 35.163 17.554 1.00 0.12 H new ATOM 440 N MET A 27 34.375 32.981 19.138 1.00 0.12 N ATOM 441 CA MET A 27 35.387 32.008 19.608 1.00 0.13 C ATOM 442 C MET A 27 34.701 30.821 20.335 1.00 0.11 C ATOM 443 O MET A 27 35.114 29.694 20.147 1.00 0.13 O ATOM 444 CB MET A 27 36.401 32.725 20.531 1.00 0.18 C ATOM 445 CG MET A 27 37.646 33.123 19.733 1.00 0.19 C ATOM 446 SD MET A 27 38.568 31.638 19.274 1.00 1.17 S ATOM 447 CE MET A 27 39.596 31.559 20.757 1.00 0.31 C ATOM 0 H MET A 27 34.375 33.883 19.614 1.00 0.12 H new ATOM 0 HA MET A 27 35.925 31.601 18.752 1.00 0.13 H new ATOM 0 HB2 MET A 27 35.942 33.611 20.970 1.00 0.18 H new ATOM 0 HB3 MET A 27 36.682 32.069 21.355 1.00 0.18 H new ATOM 0 HG2 MET A 27 37.357 33.675 18.839 1.00 0.19 H new ATOM 0 HG3 MET A 27 38.275 33.786 20.327 1.00 0.19 H new ATOM 0 HE1 MET A 27 40.262 30.698 20.693 1.00 0.31 H new ATOM 0 HE2 MET A 27 40.188 32.470 20.838 1.00 0.31 H new ATOM 0 HE3 MET A 27 38.959 31.461 21.636 1.00 0.31 H new ATOM 457 N PRO A 28 33.681 31.078 21.143 1.00 0.10 N ATOM 458 CA PRO A 28 32.982 29.992 21.868 1.00 0.09 C ATOM 459 C PRO A 28 32.407 28.950 20.894 1.00 0.10 C ATOM 460 O PRO A 28 32.235 27.805 21.246 1.00 0.19 O ATOM 461 CB PRO A 28 31.867 30.707 22.663 1.00 0.09 C ATOM 462 CG PRO A 28 32.184 32.223 22.605 1.00 0.11 C ATOM 463 CD PRO A 28 33.143 32.429 21.422 1.00 0.11 C ATOM 0 HA PRO A 28 33.653 29.435 22.522 1.00 0.09 H new ATOM 0 HB2 PRO A 28 30.888 30.499 22.230 1.00 0.09 H new ATOM 0 HB3 PRO A 28 31.841 30.356 23.695 1.00 0.09 H new ATOM 0 HG2 PRO A 28 31.272 32.804 22.469 1.00 0.11 H new ATOM 0 HG3 PRO A 28 32.640 32.559 23.536 1.00 0.11 H new ATOM 0 HD2 PRO A 28 32.623 32.836 20.555 1.00 0.11 H new ATOM 0 HD3 PRO A 28 33.939 33.129 21.674 1.00 0.11 H new ATOM 471 N LEU A 29 32.112 29.320 19.678 1.00 0.11 N ATOM 472 CA LEU A 29 31.564 28.311 18.722 1.00 0.09 C ATOM 473 C LEU A 29 32.726 27.520 18.127 1.00 0.10 C ATOM 474 O LEU A 29 32.725 26.305 18.133 1.00 0.19 O ATOM 475 CB LEU A 29 30.769 29.008 17.614 1.00 0.08 C ATOM 476 CG LEU A 29 29.693 29.905 18.241 1.00 0.08 C ATOM 477 CD1 LEU A 29 29.010 30.726 17.144 1.00 0.09 C ATOM 478 CD2 LEU A 29 28.647 29.037 18.957 1.00 0.08 C ATOM 0 H LEU A 29 32.224 30.263 19.307 1.00 0.11 H new ATOM 0 HA LEU A 29 30.890 27.633 19.246 1.00 0.09 H new ATOM 0 HB2 LEU A 29 31.437 29.604 16.993 1.00 0.08 H new ATOM 0 HB3 LEU A 29 30.305 28.267 16.963 1.00 0.08 H new ATOM 0 HG LEU A 29 30.159 30.576 18.962 1.00 0.08 H new ATOM 0 HD11 LEU A 29 28.246 31.363 17.589 1.00 0.09 H new ATOM 0 HD12 LEU A 29 29.751 31.346 16.639 1.00 0.09 H new ATOM 0 HD13 LEU A 29 28.547 30.054 16.422 1.00 0.09 H new ATOM 0 HD21 LEU A 29 27.885 29.678 19.401 1.00 0.08 H new ATOM 0 HD22 LEU A 29 28.181 28.362 18.239 1.00 0.08 H new ATOM 0 HD23 LEU A 29 29.132 28.454 19.740 1.00 0.08 H new ATOM 490 N MET A 30 33.735 28.189 17.645 1.00 0.10 N ATOM 491 CA MET A 30 34.899 27.450 17.093 1.00 0.12 C ATOM 492 C MET A 30 35.451 26.563 18.207 1.00 0.10 C ATOM 493 O MET A 30 36.148 25.596 17.972 1.00 0.11 O ATOM 494 CB MET A 30 35.972 28.444 16.644 1.00 0.16 C ATOM 495 CG MET A 30 35.590 29.025 15.284 1.00 0.19 C ATOM 496 SD MET A 30 34.017 29.912 15.427 1.00 1.16 S ATOM 497 CE MET A 30 33.256 29.309 13.899 1.00 0.20 C ATOM 0 H MET A 30 33.803 29.206 17.610 1.00 0.10 H new ATOM 0 HA MET A 30 34.602 26.848 16.234 1.00 0.12 H new ATOM 0 HB2 MET A 30 36.072 29.244 17.378 1.00 0.16 H new ATOM 0 HB3 MET A 30 36.940 27.947 16.580 1.00 0.16 H new ATOM 0 HG2 MET A 30 36.370 29.701 14.933 1.00 0.19 H new ATOM 0 HG3 MET A 30 35.504 28.227 14.547 1.00 0.19 H new ATOM 0 HE1 MET A 30 32.510 30.026 13.556 1.00 0.20 H new ATOM 0 HE2 MET A 30 34.023 29.189 13.133 1.00 0.20 H new ATOM 0 HE3 MET A 30 32.777 28.348 14.086 1.00 0.20 H new ATOM 507 N TYR A 31 35.128 26.897 19.427 1.00 0.09 N ATOM 508 CA TYR A 31 35.606 26.097 20.587 1.00 0.09 C ATOM 509 C TYR A 31 34.805 24.794 20.662 1.00 0.09 C ATOM 510 O TYR A 31 35.358 23.716 20.755 1.00 0.10 O ATOM 511 CB TYR A 31 35.396 26.914 21.870 1.00 0.09 C ATOM 512 CG TYR A 31 35.575 26.045 23.093 1.00 0.10 C ATOM 513 CD1 TYR A 31 36.846 25.874 23.653 1.00 0.11 C ATOM 514 CD2 TYR A 31 34.463 25.421 23.674 1.00 0.10 C ATOM 515 CE1 TYR A 31 37.006 25.076 24.792 1.00 0.12 C ATOM 516 CE2 TYR A 31 34.622 24.626 24.814 1.00 0.11 C ATOM 517 CZ TYR A 31 35.894 24.451 25.373 1.00 0.12 C ATOM 518 OH TYR A 31 36.053 23.666 26.497 1.00 0.14 O ATOM 0 H TYR A 31 34.547 27.699 19.670 1.00 0.09 H new ATOM 0 HA TYR A 31 36.664 25.861 20.474 1.00 0.09 H new ATOM 0 HB2 TYR A 31 36.104 27.742 21.900 1.00 0.09 H new ATOM 0 HB3 TYR A 31 34.397 27.349 21.870 1.00 0.09 H new ATOM 0 HD1 TYR A 31 37.703 26.357 23.207 1.00 0.11 H new ATOM 0 HD2 TYR A 31 33.482 25.554 23.241 1.00 0.10 H new ATOM 0 HE1 TYR A 31 37.987 24.942 25.223 1.00 0.12 H new ATOM 0 HE2 TYR A 31 33.764 24.147 25.263 1.00 0.11 H new ATOM 0 HH TYR A 31 35.183 23.309 26.772 1.00 0.14 H new ATOM 528 N VAL A 32 33.504 24.888 20.627 1.00 0.09 N ATOM 529 CA VAL A 32 32.665 23.660 20.701 1.00 0.09 C ATOM 530 C VAL A 32 32.925 22.783 19.472 1.00 0.09 C ATOM 531 O VAL A 32 33.171 21.601 19.587 1.00 0.12 O ATOM 532 CB VAL A 32 31.187 24.056 20.756 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.318 22.797 20.704 1.00 0.09 C ATOM 534 CG2 VAL A 32 30.909 24.819 22.060 1.00 0.12 C ATOM 0 H VAL A 32 32.986 25.763 20.550 1.00 0.09 H new ATOM 0 HA VAL A 32 32.921 23.098 21.599 1.00 0.09 H new ATOM 0 HB VAL A 32 30.950 24.695 19.905 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.266 23.079 20.743 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.515 22.257 19.778 1.00 0.09 H new ATOM 0 HG13 VAL A 32 30.554 22.157 21.554 1.00 0.09 H new ATOM 0 HG21 VAL A 32 29.857 25.101 22.099 1.00 0.12 H new ATOM 0 HG22 VAL A 32 31.146 24.182 22.912 1.00 0.12 H new ATOM 0 HG23 VAL A 32 31.527 25.716 22.095 1.00 0.12 H new ATOM 544 N ILE A 33 32.877 23.345 18.295 1.00 0.09 N ATOM 545 CA ILE A 33 33.129 22.525 17.077 1.00 0.09 C ATOM 546 C ILE A 33 34.436 21.732 17.267 1.00 0.10 C ATOM 547 O ILE A 33 34.421 20.520 17.358 1.00 0.11 O ATOM 548 CB ILE A 33 33.203 23.465 15.863 1.00 0.09 C ATOM 549 CG1 ILE A 33 31.861 24.215 15.759 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.457 22.672 14.565 1.00 0.10 C ATOM 551 CD1 ILE A 33 31.883 25.203 14.589 1.00 0.09 C ATOM 0 H ILE A 33 32.675 24.330 18.125 1.00 0.09 H new ATOM 0 HA ILE A 33 32.324 21.809 16.910 1.00 0.09 H new ATOM 0 HB ILE A 33 34.029 24.164 15.994 1.00 0.09 H new ATOM 0 HG12 ILE A 33 31.049 23.501 15.623 1.00 0.10 H new ATOM 0 HG13 ILE A 33 31.664 24.749 16.689 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.505 23.361 13.721 1.00 0.10 H new ATOM 0 HG22 ILE A 33 34.400 22.132 14.647 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.645 21.962 14.408 1.00 0.10 H new ATOM 0 HD11 ILE A 33 30.926 25.722 14.533 1.00 0.09 H new ATOM 0 HD12 ILE A 33 32.682 25.929 14.741 1.00 0.09 H new ATOM 0 HD13 ILE A 33 32.057 24.662 13.659 1.00 0.09 H new ATOM 563 N LEU A 34 35.561 22.394 17.345 1.00 0.10 N ATOM 564 CA LEU A 34 36.850 21.659 17.547 1.00 0.11 C ATOM 565 C LEU A 34 36.684 20.669 18.714 1.00 0.13 C ATOM 566 O LEU A 34 37.351 19.656 18.770 1.00 0.20 O ATOM 567 CB LEU A 34 37.966 22.694 17.869 1.00 0.09 C ATOM 568 CG LEU A 34 38.930 23.012 16.667 1.00 0.09 C ATOM 569 CD1 LEU A 34 38.324 22.697 15.286 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.301 24.499 16.711 1.00 0.10 C ATOM 0 H LEU A 34 35.645 23.408 17.278 1.00 0.10 H new ATOM 0 HA LEU A 34 37.122 21.104 16.649 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.499 23.622 18.198 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.559 22.322 18.704 1.00 0.09 H new ATOM 0 HG LEU A 34 39.802 22.369 16.785 1.00 0.09 H new ATOM 0 HD11 LEU A 34 39.046 22.942 14.507 1.00 0.10 H new ATOM 0 HD12 LEU A 34 38.076 21.637 15.231 1.00 0.10 H new ATOM 0 HD13 LEU A 34 37.420 23.289 15.142 1.00 0.10 H new ATOM 0 HD21 LEU A 34 39.969 24.732 15.882 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.397 25.102 16.629 1.00 0.10 H new ATOM 0 HD23 LEU A 34 39.801 24.722 17.654 1.00 0.10 H new ATOM 582 N LYS A 35 35.807 20.941 19.640 1.00 0.12 N ATOM 583 CA LYS A 35 35.626 19.993 20.778 1.00 0.15 C ATOM 584 C LYS A 35 35.000 18.697 20.253 1.00 0.21 C ATOM 585 O LYS A 35 35.320 17.614 20.702 1.00 0.29 O ATOM 586 CB LYS A 35 34.715 20.625 21.844 1.00 0.13 C ATOM 587 CG LYS A 35 34.969 19.962 23.203 1.00 0.17 C ATOM 588 CD LYS A 35 34.035 20.567 24.259 1.00 0.26 C ATOM 589 CE LYS A 35 32.570 20.233 23.935 1.00 0.80 C ATOM 590 NZ LYS A 35 31.779 20.213 25.198 1.00 1.49 N ATOM 0 H LYS A 35 35.213 21.770 19.660 1.00 0.12 H new ATOM 0 HA LYS A 35 36.593 19.773 21.231 1.00 0.15 H new ATOM 0 HB2 LYS A 35 34.906 21.696 21.910 1.00 0.13 H new ATOM 0 HB3 LYS A 35 33.670 20.505 21.560 1.00 0.13 H new ATOM 0 HG2 LYS A 35 34.803 18.887 23.130 1.00 0.17 H new ATOM 0 HG3 LYS A 35 36.008 20.105 23.499 1.00 0.17 H new ATOM 0 HD2 LYS A 35 34.293 20.181 25.245 1.00 0.26 H new ATOM 0 HD3 LYS A 35 34.169 21.648 24.295 1.00 0.26 H new ATOM 0 HE2 LYS A 35 32.160 20.972 23.247 1.00 0.80 H new ATOM 0 HE3 LYS A 35 32.507 19.265 23.437 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 30.787 19.987 24.983 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 32.167 19.492 25.839 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 31.830 21.146 25.655 1.00 1.49 H new ATOM 604 N ASP A 36 34.110 18.801 19.302 1.00 0.24 N ATOM 605 CA ASP A 36 33.462 17.580 18.741 1.00 0.32 C ATOM 606 C ASP A 36 34.317 17.012 17.609 1.00 0.26 C ATOM 607 O ASP A 36 34.437 15.814 17.449 1.00 0.36 O ATOM 608 CB ASP A 36 32.085 17.945 18.192 1.00 0.42 C ATOM 609 CG ASP A 36 31.136 18.250 19.352 1.00 0.84 C ATOM 610 OD1 ASP A 36 30.770 17.321 20.053 1.00 1.42 O ATOM 611 OD2 ASP A 36 30.790 19.408 19.519 1.00 1.56 O ATOM 0 H ASP A 36 33.803 19.682 18.889 1.00 0.24 H new ATOM 0 HA ASP A 36 33.362 16.834 19.529 1.00 0.32 H new ATOM 0 HB2 ASP A 36 32.162 18.811 17.534 1.00 0.42 H new ATOM 0 HB3 ASP A 36 31.692 17.124 17.593 1.00 0.42 H new ATOM 616 N ALA A 37 34.903 17.863 16.814 1.00 0.18 N ATOM 617 CA ALA A 37 35.737 17.377 15.684 1.00 0.17 C ATOM 618 C ALA A 37 37.089 16.906 16.205 1.00 0.16 C ATOM 619 O ALA A 37 38.093 17.017 15.530 1.00 0.21 O ATOM 620 CB ALA A 37 35.965 18.527 14.716 1.00 0.19 C ATOM 0 H ALA A 37 34.839 18.877 16.900 1.00 0.18 H new ATOM 0 HA ALA A 37 35.229 16.551 15.187 1.00 0.17 H new ATOM 0 HB1 ALA A 37 36.576 18.184 13.881 1.00 0.19 H new ATOM 0 HB2 ALA A 37 35.005 18.883 14.341 1.00 0.19 H new ATOM 0 HB3 ALA A 37 36.477 19.340 15.231 1.00 0.19 H new ATOM 626 N ASP A 38 37.138 16.393 17.399 1.00 0.18 N ATOM 627 CA ASP A 38 38.445 15.937 17.937 1.00 0.20 C ATOM 628 C ASP A 38 39.446 17.087 17.796 1.00 0.18 C ATOM 629 O ASP A 38 40.645 16.903 17.855 1.00 0.22 O ATOM 630 CB ASP A 38 38.921 14.716 17.133 1.00 0.25 C ATOM 631 CG ASP A 38 39.856 13.856 17.990 1.00 1.00 C ATOM 632 OD1 ASP A 38 39.362 13.191 18.885 1.00 1.65 O ATOM 633 OD2 ASP A 38 41.048 13.878 17.734 1.00 1.82 O ATOM 0 H ASP A 38 36.338 16.270 18.020 1.00 0.18 H new ATOM 0 HA ASP A 38 38.356 15.654 18.986 1.00 0.20 H new ATOM 0 HB2 ASP A 38 38.063 14.125 16.811 1.00 0.25 H new ATOM 0 HB3 ASP A 38 39.439 15.043 16.231 1.00 0.25 H new ATOM 638 N ALA A 39 38.938 18.272 17.597 1.00 0.14 N ATOM 639 CA ALA A 39 39.807 19.462 17.432 1.00 0.14 C ATOM 640 C ALA A 39 40.568 19.363 16.108 1.00 0.14 C ATOM 641 O ALA A 39 41.438 20.160 15.818 1.00 0.16 O ATOM 642 CB ALA A 39 40.788 19.554 18.601 1.00 0.16 C ATOM 0 H ALA A 39 37.938 18.465 17.541 1.00 0.14 H new ATOM 0 HA ALA A 39 39.191 20.361 17.420 1.00 0.14 H new ATOM 0 HB1 ALA A 39 41.424 20.430 18.474 1.00 0.16 H new ATOM 0 HB2 ALA A 39 40.233 19.640 19.535 1.00 0.16 H new ATOM 0 HB3 ALA A 39 41.407 18.657 18.628 1.00 0.16 H new ATOM 648 N ASN A 40 40.238 18.395 15.298 1.00 0.14 N ATOM 649 CA ASN A 40 40.934 18.254 13.990 1.00 0.16 C ATOM 650 C ASN A 40 40.360 19.284 13.023 1.00 0.14 C ATOM 651 O ASN A 40 39.318 19.082 12.431 1.00 0.15 O ATOM 652 CB ASN A 40 40.712 16.844 13.436 1.00 0.20 C ATOM 653 CG ASN A 40 41.721 16.567 12.319 1.00 0.78 C ATOM 654 OD1 ASN A 40 42.079 15.432 12.076 1.00 1.77 O ATOM 655 ND2 ASN A 40 42.198 17.564 11.625 1.00 1.19 N ATOM 0 H ASN A 40 39.518 17.697 15.486 1.00 0.14 H new ATOM 0 HA ASN A 40 42.004 18.417 14.117 1.00 0.16 H new ATOM 0 HB2 ASN A 40 40.824 16.108 14.232 1.00 0.20 H new ATOM 0 HB3 ASN A 40 39.696 16.748 13.054 1.00 0.20 H new ATOM 0 HD21 ASN A 40 42.871 17.390 10.879 1.00 1.19 H new ATOM 0 HD22 ASN A 40 41.898 18.517 11.829 1.00 1.19 H new ATOM 662 N ILE A 41 41.021 20.396 12.870 1.00 0.13 N ATOM 663 CA ILE A 41 40.502 21.449 11.956 1.00 0.12 C ATOM 664 C ILE A 41 40.076 20.823 10.624 1.00 0.13 C ATOM 665 O ILE A 41 39.022 21.128 10.102 1.00 0.14 O ATOM 666 CB ILE A 41 41.584 22.518 11.743 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.681 23.357 13.035 1.00 0.13 C ATOM 668 CG2 ILE A 41 41.212 23.399 10.534 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.726 24.465 12.896 1.00 0.16 C ATOM 0 H ILE A 41 41.899 20.621 13.339 1.00 0.13 H new ATOM 0 HA ILE A 41 39.627 21.923 12.400 1.00 0.12 H new ATOM 0 HB ILE A 41 42.550 22.059 11.534 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.709 23.796 13.261 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.941 22.711 13.873 1.00 0.13 H new ATOM 0 HG21 ILE A 41 41.981 24.157 10.385 1.00 0.15 H new ATOM 0 HG22 ILE A 41 41.136 22.778 9.641 1.00 0.15 H new ATOM 0 HG23 ILE A 41 40.255 23.886 10.719 1.00 0.15 H new ATOM 0 HD11 ILE A 41 42.772 25.040 13.821 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.701 24.022 12.695 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.450 25.124 12.073 1.00 0.16 H new ATOM 681 N GLU A 42 40.864 19.943 10.073 1.00 0.15 N ATOM 682 CA GLU A 42 40.465 19.307 8.788 1.00 0.16 C ATOM 683 C GLU A 42 39.039 18.779 8.931 1.00 0.16 C ATOM 684 O GLU A 42 38.157 19.127 8.173 1.00 0.19 O ATOM 685 CB GLU A 42 41.416 18.154 8.466 1.00 0.19 C ATOM 686 CG GLU A 42 42.805 18.712 8.147 1.00 0.26 C ATOM 687 CD GLU A 42 43.831 17.578 8.183 1.00 1.04 C ATOM 688 OE1 GLU A 42 43.591 16.568 7.543 1.00 1.67 O ATOM 689 OE2 GLU A 42 44.840 17.739 8.850 1.00 1.80 O ATOM 0 H GLU A 42 41.760 19.639 10.453 1.00 0.15 H new ATOM 0 HA GLU A 42 40.512 20.036 7.979 1.00 0.16 H new ATOM 0 HB2 GLU A 42 41.473 17.469 9.312 1.00 0.19 H new ATOM 0 HB3 GLU A 42 41.038 17.583 7.618 1.00 0.19 H new ATOM 0 HG2 GLU A 42 42.802 19.183 7.164 1.00 0.26 H new ATOM 0 HG3 GLU A 42 43.074 19.483 8.869 1.00 0.26 H new ATOM 696 N GLU A 43 38.802 17.959 9.915 1.00 0.15 N ATOM 697 CA GLU A 43 37.427 17.429 10.123 1.00 0.16 C ATOM 698 C GLU A 43 36.487 18.601 10.408 1.00 0.15 C ATOM 699 O GLU A 43 35.506 18.797 9.725 1.00 0.21 O ATOM 700 CB GLU A 43 37.417 16.466 11.312 1.00 0.18 C ATOM 701 CG GLU A 43 36.074 15.733 11.367 1.00 0.33 C ATOM 702 CD GLU A 43 35.978 14.751 10.198 1.00 1.21 C ATOM 703 OE1 GLU A 43 37.014 14.283 9.755 1.00 1.95 O ATOM 704 OE2 GLU A 43 34.869 14.482 9.765 1.00 1.84 O ATOM 0 H GLU A 43 39.500 17.633 10.584 1.00 0.15 H new ATOM 0 HA GLU A 43 37.099 16.895 9.231 1.00 0.16 H new ATOM 0 HB2 GLU A 43 38.231 15.748 11.218 1.00 0.18 H new ATOM 0 HB3 GLU A 43 37.582 17.015 12.239 1.00 0.18 H new ATOM 0 HG2 GLU A 43 35.978 15.199 12.312 1.00 0.33 H new ATOM 0 HG3 GLU A 43 35.254 16.450 11.321 1.00 0.33 H new ATOM 711 N ALA A 44 36.784 19.386 11.410 1.00 0.13 N ATOM 712 CA ALA A 44 35.907 20.549 11.735 1.00 0.14 C ATOM 713 C ALA A 44 35.681 21.398 10.480 1.00 0.16 C ATOM 714 O ALA A 44 34.569 21.595 10.041 1.00 0.20 O ATOM 715 CB ALA A 44 36.573 21.406 12.818 1.00 0.14 C ATOM 0 H ALA A 44 37.596 19.272 12.017 1.00 0.13 H new ATOM 0 HA ALA A 44 34.947 20.182 12.098 1.00 0.14 H new ATOM 0 HB1 ALA A 44 35.932 22.255 13.055 1.00 0.14 H new ATOM 0 HB2 ALA A 44 36.726 20.805 13.715 1.00 0.14 H new ATOM 0 HB3 ALA A 44 37.535 21.768 12.455 1.00 0.14 H new ATOM 721 N SER A 45 36.729 21.909 9.905 1.00 0.16 N ATOM 722 CA SER A 45 36.575 22.757 8.689 1.00 0.21 C ATOM 723 C SER A 45 35.741 22.031 7.626 1.00 0.20 C ATOM 724 O SER A 45 35.160 22.653 6.758 1.00 0.32 O ATOM 725 CB SER A 45 37.952 23.079 8.116 1.00 0.26 C ATOM 726 OG SER A 45 37.801 23.658 6.827 1.00 1.01 O ATOM 0 H SER A 45 37.689 21.777 10.223 1.00 0.16 H new ATOM 0 HA SER A 45 36.063 23.678 8.969 1.00 0.21 H new ATOM 0 HB2 SER A 45 38.482 23.766 8.776 1.00 0.26 H new ATOM 0 HB3 SER A 45 38.553 22.172 8.052 1.00 0.26 H new ATOM 0 HG SER A 45 38.684 23.867 6.457 1.00 1.01 H new ATOM 732 N ARG A 46 35.685 20.726 7.667 1.00 0.18 N ATOM 733 CA ARG A 46 34.899 19.984 6.634 1.00 0.20 C ATOM 734 C ARG A 46 33.407 19.960 7.001 1.00 0.16 C ATOM 735 O ARG A 46 32.559 19.882 6.135 1.00 0.22 O ATOM 736 CB ARG A 46 35.436 18.551 6.510 1.00 0.23 C ATOM 737 CG ARG A 46 36.740 18.559 5.697 1.00 0.85 C ATOM 738 CD ARG A 46 37.519 17.265 5.946 1.00 1.14 C ATOM 739 NE ARG A 46 36.731 16.108 5.434 1.00 1.59 N ATOM 740 CZ ARG A 46 37.305 14.949 5.262 1.00 2.17 C ATOM 741 NH1 ARG A 46 38.572 14.801 5.538 1.00 2.66 N ATOM 742 NH2 ARG A 46 36.612 13.938 4.813 1.00 2.87 N ATOM 0 H ARG A 46 36.146 20.143 8.366 1.00 0.18 H new ATOM 0 HA ARG A 46 35.007 20.494 5.677 1.00 0.20 H new ATOM 0 HB2 ARG A 46 35.615 18.132 7.500 1.00 0.23 H new ATOM 0 HB3 ARG A 46 34.696 17.915 6.024 1.00 0.23 H new ATOM 0 HG2 ARG A 46 36.516 18.660 4.635 1.00 0.85 H new ATOM 0 HG3 ARG A 46 37.348 19.419 5.977 1.00 0.85 H new ATOM 0 HD2 ARG A 46 38.488 17.309 5.448 1.00 1.14 H new ATOM 0 HD3 ARG A 46 37.714 17.144 7.012 1.00 1.14 H new ATOM 0 HE ARG A 46 35.741 16.223 5.218 1.00 1.59 H new ATOM 0 HH11 ARG A 46 39.113 15.591 5.888 1.00 2.66 H new ATOM 0 HH12 ARG A 46 39.021 13.895 5.404 1.00 2.66 H new ATOM 0 HH21 ARG A 46 35.622 14.054 4.597 1.00 2.87 H new ATOM 0 HH22 ARG A 46 37.061 13.032 4.678 1.00 2.87 H new ATOM 756 N ARG A 47 33.066 20.038 8.264 1.00 0.13 N ATOM 757 CA ARG A 47 31.611 20.031 8.634 1.00 0.13 C ATOM 758 C ARG A 47 31.073 21.463 8.539 1.00 0.11 C ATOM 759 O ARG A 47 29.996 21.695 8.027 1.00 0.13 O ATOM 760 CB ARG A 47 31.392 19.460 10.053 1.00 0.18 C ATOM 761 CG ARG A 47 32.552 19.832 10.972 1.00 0.49 C ATOM 762 CD ARG A 47 32.343 19.213 12.363 1.00 0.62 C ATOM 763 NE ARG A 47 32.866 17.817 12.380 1.00 0.81 N ATOM 764 CZ ARG A 47 33.054 17.209 13.521 1.00 1.20 C ATOM 765 NH1 ARG A 47 32.792 17.828 14.640 1.00 1.99 N ATOM 766 NH2 ARG A 47 33.506 15.986 13.547 1.00 1.63 N ATOM 0 H ARG A 47 33.718 20.105 9.045 1.00 0.13 H new ATOM 0 HA ARG A 47 31.071 19.385 7.942 1.00 0.13 H new ATOM 0 HB2 ARG A 47 30.459 19.844 10.464 1.00 0.18 H new ATOM 0 HB3 ARG A 47 31.296 18.375 10.003 1.00 0.18 H new ATOM 0 HG2 ARG A 47 33.491 19.479 10.546 1.00 0.49 H new ATOM 0 HG3 ARG A 47 32.627 20.916 11.055 1.00 0.49 H new ATOM 0 HD2 ARG A 47 32.854 19.811 13.118 1.00 0.62 H new ATOM 0 HD3 ARG A 47 31.283 19.217 12.617 1.00 0.62 H new ATOM 0 HE ARG A 47 33.076 17.338 11.504 1.00 0.81 H new ATOM 0 HH11 ARG A 47 32.441 18.785 14.623 1.00 1.99 H new ATOM 0 HH12 ARG A 47 32.938 17.354 15.531 1.00 1.99 H new ATOM 0 HH21 ARG A 47 33.714 15.501 12.674 1.00 1.63 H new ATOM 0 HH22 ARG A 47 33.651 15.515 14.440 1.00 1.63 H new ATOM 780 N ILE A 48 31.825 22.430 8.995 1.00 0.10 N ATOM 781 CA ILE A 48 31.356 23.843 8.888 1.00 0.10 C ATOM 782 C ILE A 48 31.027 24.114 7.425 1.00 0.11 C ATOM 783 O ILE A 48 29.936 24.525 7.084 1.00 0.13 O ATOM 784 CB ILE A 48 32.463 24.784 9.364 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.846 24.396 10.793 1.00 0.09 C ATOM 786 CG2 ILE A 48 31.957 26.232 9.344 1.00 0.11 C ATOM 787 CD1 ILE A 48 33.820 25.422 11.371 1.00 0.10 C ATOM 0 H ILE A 48 32.737 22.304 9.434 1.00 0.10 H new ATOM 0 HA ILE A 48 30.474 24.007 9.507 1.00 0.10 H new ATOM 0 HB ILE A 48 33.329 24.703 8.707 1.00 0.10 H new ATOM 0 HG12 ILE A 48 31.953 24.340 11.415 1.00 0.09 H new ATOM 0 HG13 ILE A 48 33.302 23.406 10.800 1.00 0.09 H new ATOM 0 HG21 ILE A 48 32.749 26.899 9.684 1.00 0.11 H new ATOM 0 HG22 ILE A 48 31.666 26.502 8.329 1.00 0.11 H new ATOM 0 HG23 ILE A 48 31.095 26.326 10.005 1.00 0.11 H new ATOM 0 HD11 ILE A 48 34.087 25.137 12.389 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.719 25.457 10.756 1.00 0.10 H new ATOM 0 HD13 ILE A 48 33.349 26.405 11.381 1.00 0.10 H new ATOM 799 N GLU A 49 31.962 23.860 6.554 1.00 0.11 N ATOM 800 CA GLU A 49 31.709 24.072 5.104 1.00 0.12 C ATOM 801 C GLU A 49 30.418 23.357 4.731 1.00 0.12 C ATOM 802 O GLU A 49 29.455 23.963 4.304 1.00 0.13 O ATOM 803 CB GLU A 49 32.847 23.456 4.306 1.00 0.13 C ATOM 804 CG GLU A 49 34.099 24.327 4.429 1.00 0.15 C ATOM 805 CD GLU A 49 33.935 25.582 3.570 1.00 0.17 C ATOM 806 OE1 GLU A 49 34.037 25.465 2.360 1.00 1.09 O ATOM 807 OE2 GLU A 49 33.711 26.639 4.137 1.00 1.08 O ATOM 0 H GLU A 49 32.893 23.514 6.785 1.00 0.11 H new ATOM 0 HA GLU A 49 31.635 25.138 4.889 1.00 0.12 H new ATOM 0 HB2 GLU A 49 33.056 22.450 4.670 1.00 0.13 H new ATOM 0 HB3 GLU A 49 32.560 23.362 3.259 1.00 0.13 H new ATOM 0 HG2 GLU A 49 34.260 24.605 5.471 1.00 0.15 H new ATOM 0 HG3 GLU A 49 34.977 23.767 4.109 1.00 0.15 H new ATOM 814 N GLU A 50 30.385 22.064 4.917 1.00 0.12 N ATOM 815 CA GLU A 50 29.150 21.301 4.605 1.00 0.13 C ATOM 816 C GLU A 50 28.001 21.996 5.316 1.00 0.12 C ATOM 817 O GLU A 50 26.853 21.876 4.950 1.00 0.12 O ATOM 818 CB GLU A 50 29.286 19.864 5.116 1.00 0.14 C ATOM 819 CG GLU A 50 28.064 19.048 4.689 1.00 0.17 C ATOM 820 CD GLU A 50 28.178 17.631 5.252 1.00 1.15 C ATOM 821 OE1 GLU A 50 29.292 17.201 5.500 1.00 2.03 O ATOM 822 OE2 GLU A 50 27.148 17.000 5.428 1.00 1.74 O ATOM 0 H GLU A 50 31.162 21.507 5.272 1.00 0.12 H new ATOM 0 HA GLU A 50 28.975 21.266 3.530 1.00 0.13 H new ATOM 0 HB2 GLU A 50 30.195 19.411 4.719 1.00 0.14 H new ATOM 0 HB3 GLU A 50 29.376 19.861 6.202 1.00 0.14 H new ATOM 0 HG2 GLU A 50 27.152 19.523 5.050 1.00 0.17 H new ATOM 0 HG3 GLU A 50 27.997 19.015 3.602 1.00 0.17 H new ATOM 829 N GLY A 51 28.328 22.755 6.324 1.00 0.11 N ATOM 830 CA GLY A 51 27.279 23.507 7.072 1.00 0.10 C ATOM 831 C GLY A 51 26.906 24.736 6.247 1.00 0.10 C ATOM 832 O GLY A 51 25.769 24.922 5.860 1.00 0.11 O ATOM 0 H GLY A 51 29.280 22.888 6.664 1.00 0.11 H new ATOM 0 HA2 GLY A 51 26.404 22.879 7.238 1.00 0.10 H new ATOM 0 HA3 GLY A 51 27.649 23.804 8.053 1.00 0.10 H new ATOM 836 N GLN A 52 27.874 25.561 5.950 1.00 0.10 N ATOM 837 CA GLN A 52 27.614 26.772 5.116 1.00 0.12 C ATOM 838 C GLN A 52 26.804 26.352 3.898 1.00 0.12 C ATOM 839 O GLN A 52 25.832 26.980 3.529 1.00 0.13 O ATOM 840 CB GLN A 52 28.955 27.360 4.670 1.00 0.14 C ATOM 841 CG GLN A 52 29.798 27.686 5.907 1.00 0.19 C ATOM 842 CD GLN A 52 29.247 28.939 6.585 1.00 0.42 C ATOM 843 OE1 GLN A 52 28.446 29.651 6.012 1.00 0.95 O ATOM 844 NE2 GLN A 52 29.645 29.240 7.789 1.00 0.39 N ATOM 0 H GLN A 52 28.842 25.447 6.252 1.00 0.10 H new ATOM 0 HA GLN A 52 27.062 27.521 5.684 1.00 0.12 H new ATOM 0 HB2 GLN A 52 29.483 26.651 4.032 1.00 0.14 H new ATOM 0 HB3 GLN A 52 28.792 28.261 4.078 1.00 0.14 H new ATOM 0 HG2 GLN A 52 29.782 26.847 6.602 1.00 0.19 H new ATOM 0 HG3 GLN A 52 30.838 27.842 5.620 1.00 0.19 H new ATOM 0 HE21 GLN A 52 30.317 28.641 8.268 1.00 0.39 H new ATOM 0 HE22 GLN A 52 29.284 30.074 8.252 1.00 0.39 H new ATOM 853 N TYR A 53 27.193 25.274 3.287 1.00 0.12 N ATOM 854 CA TYR A 53 26.442 24.780 2.099 1.00 0.13 C ATOM 855 C TYR A 53 25.000 24.462 2.523 1.00 0.13 C ATOM 856 O TYR A 53 24.057 24.819 1.847 1.00 0.15 O ATOM 857 CB TYR A 53 27.132 23.520 1.534 1.00 0.14 C ATOM 858 CG TYR A 53 26.168 22.737 0.662 1.00 0.15 C ATOM 859 CD1 TYR A 53 25.216 21.910 1.263 1.00 0.16 C ATOM 860 CD2 TYR A 53 26.219 22.843 -0.733 1.00 0.17 C ATOM 861 CE1 TYR A 53 24.312 21.189 0.483 1.00 0.18 C ATOM 862 CE2 TYR A 53 25.313 22.119 -1.521 1.00 0.19 C ATOM 863 CZ TYR A 53 24.358 21.293 -0.912 1.00 0.19 C ATOM 864 OH TYR A 53 23.466 20.579 -1.687 1.00 0.22 O ATOM 0 H TYR A 53 27.999 24.710 3.557 1.00 0.12 H new ATOM 0 HA TYR A 53 26.428 25.542 1.320 1.00 0.13 H new ATOM 0 HB2 TYR A 53 28.008 23.807 0.952 1.00 0.14 H new ATOM 0 HB3 TYR A 53 27.484 22.892 2.352 1.00 0.14 H new ATOM 0 HD1 TYR A 53 25.180 21.828 2.339 1.00 0.16 H new ATOM 0 HD2 TYR A 53 26.954 23.481 -1.201 1.00 0.17 H new ATOM 0 HE1 TYR A 53 23.578 20.552 0.954 1.00 0.18 H new ATOM 0 HE2 TYR A 53 25.351 22.198 -2.597 1.00 0.19 H new ATOM 0 HH TYR A 53 23.633 20.766 -2.634 1.00 0.22 H new ATOM 874 N VAL A 54 24.818 23.788 3.630 1.00 0.15 N ATOM 875 CA VAL A 54 23.429 23.456 4.068 1.00 0.14 C ATOM 876 C VAL A 54 22.619 24.747 4.171 1.00 0.14 C ATOM 877 O VAL A 54 21.670 24.961 3.443 1.00 0.15 O ATOM 878 CB VAL A 54 23.436 22.762 5.444 1.00 0.13 C ATOM 879 CG1 VAL A 54 21.982 22.532 5.876 1.00 0.14 C ATOM 880 CG2 VAL A 54 24.184 21.398 5.387 1.00 0.14 C ATOM 0 H VAL A 54 25.562 23.456 4.244 1.00 0.15 H new ATOM 0 HA VAL A 54 22.986 22.780 3.337 1.00 0.14 H new ATOM 0 HB VAL A 54 23.957 23.398 6.160 1.00 0.13 H new ATOM 0 HG11 VAL A 54 21.965 22.041 6.849 1.00 0.14 H new ATOM 0 HG12 VAL A 54 21.467 23.490 5.944 1.00 0.14 H new ATOM 0 HG13 VAL A 54 21.480 21.901 5.142 1.00 0.14 H new ATOM 0 HG21 VAL A 54 24.171 20.934 6.373 1.00 0.14 H new ATOM 0 HG22 VAL A 54 23.690 20.742 4.671 1.00 0.14 H new ATOM 0 HG23 VAL A 54 25.216 21.562 5.077 1.00 0.14 H new ATOM 890 N VAL A 55 22.988 25.608 5.075 1.00 0.15 N ATOM 891 CA VAL A 55 22.247 26.888 5.237 1.00 0.16 C ATOM 892 C VAL A 55 22.149 27.590 3.882 1.00 0.19 C ATOM 893 O VAL A 55 21.077 27.939 3.427 1.00 0.22 O ATOM 894 CB VAL A 55 23.001 27.784 6.227 1.00 0.19 C ATOM 895 CG1 VAL A 55 22.213 29.075 6.461 1.00 0.29 C ATOM 896 CG2 VAL A 55 23.169 27.042 7.556 1.00 0.13 C ATOM 0 H VAL A 55 23.775 25.480 5.712 1.00 0.15 H new ATOM 0 HA VAL A 55 21.244 26.690 5.615 1.00 0.16 H new ATOM 0 HB VAL A 55 23.981 28.030 5.817 1.00 0.19 H new ATOM 0 HG11 VAL A 55 22.753 29.708 7.165 1.00 0.29 H new ATOM 0 HG12 VAL A 55 22.093 29.604 5.516 1.00 0.29 H new ATOM 0 HG13 VAL A 55 21.232 28.833 6.869 1.00 0.29 H new ATOM 0 HG21 VAL A 55 23.705 27.677 8.262 1.00 0.13 H new ATOM 0 HG22 VAL A 55 22.188 26.796 7.962 1.00 0.13 H new ATOM 0 HG23 VAL A 55 23.734 26.125 7.392 1.00 0.13 H new ATOM 906 N ASN A 56 23.261 27.802 3.236 1.00 0.22 N ATOM 907 CA ASN A 56 23.239 28.485 1.912 1.00 0.27 C ATOM 908 C ASN A 56 22.363 27.691 0.942 1.00 0.26 C ATOM 909 O ASN A 56 21.393 28.195 0.411 1.00 0.33 O ATOM 910 CB ASN A 56 24.664 28.568 1.362 1.00 0.35 C ATOM 911 CG ASN A 56 24.646 29.256 -0.004 1.00 0.71 C ATOM 912 OD1 ASN A 56 23.722 29.979 -0.320 1.00 1.56 O ATOM 913 ND2 ASN A 56 25.634 29.061 -0.833 1.00 0.90 N ATOM 0 H ASN A 56 24.187 27.531 3.568 1.00 0.22 H new ATOM 0 HA ASN A 56 22.833 29.490 2.026 1.00 0.27 H new ATOM 0 HB2 ASN A 56 25.299 29.123 2.052 1.00 0.35 H new ATOM 0 HB3 ASN A 56 25.089 27.568 1.272 1.00 0.35 H new ATOM 0 HD21 ASN A 56 25.631 29.515 -1.746 1.00 0.90 H new ATOM 0 HD22 ASN A 56 26.410 28.454 -0.568 1.00 0.90 H new ATOM 920 N GLU A 57 22.696 26.452 0.709 1.00 0.24 N ATOM 921 CA GLU A 57 21.881 25.625 -0.224 1.00 0.26 C ATOM 922 C GLU A 57 20.433 25.586 0.267 1.00 0.25 C ATOM 923 O GLU A 57 19.502 25.723 -0.502 1.00 0.32 O ATOM 924 CB GLU A 57 22.445 24.203 -0.268 1.00 0.29 C ATOM 925 CG GLU A 57 21.787 23.427 -1.411 1.00 0.50 C ATOM 926 CD GLU A 57 22.360 23.903 -2.747 1.00 1.58 C ATOM 927 OE1 GLU A 57 23.552 23.737 -2.951 1.00 2.37 O ATOM 928 OE2 GLU A 57 21.599 24.426 -3.544 1.00 2.31 O ATOM 0 H GLU A 57 23.497 25.976 1.124 1.00 0.24 H new ATOM 0 HA GLU A 57 21.915 26.059 -1.223 1.00 0.26 H new ATOM 0 HB2 GLU A 57 23.525 24.233 -0.410 1.00 0.29 H new ATOM 0 HB3 GLU A 57 22.262 23.698 0.681 1.00 0.29 H new ATOM 0 HG2 GLU A 57 21.963 22.358 -1.288 1.00 0.50 H new ATOM 0 HG3 GLU A 57 20.707 23.577 -1.392 1.00 0.50 H new ATOM 1388 N VAL B 8 13.419 19.740 9.919 1.00 0.33 N ATOM 1389 CA VAL B 8 13.404 19.695 11.408 1.00 0.39 C ATOM 1390 C VAL B 8 14.793 20.046 11.939 1.00 0.36 C ATOM 1391 O VAL B 8 14.938 20.802 12.877 1.00 0.48 O ATOM 1392 CB VAL B 8 13.022 18.294 11.884 1.00 0.50 C ATOM 1393 CG1 VAL B 8 12.687 18.344 13.375 1.00 0.98 C ATOM 1394 CG2 VAL B 8 11.802 17.802 11.104 1.00 1.19 C ATOM 0 HA VAL B 8 12.673 20.413 11.780 1.00 0.39 H new ATOM 0 HB VAL B 8 13.855 17.612 11.717 1.00 0.50 H new ATOM 0 HG11 VAL B 8 12.414 17.347 13.720 1.00 0.98 H new ATOM 0 HG12 VAL B 8 13.556 18.695 13.932 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.852 19.026 13.538 1.00 0.98 H new ATOM 0 HG21 VAL B 8 11.531 16.803 11.445 1.00 1.19 H new ATOM 0 HG22 VAL B 8 10.966 18.481 11.270 1.00 1.19 H new ATOM 0 HG23 VAL B 8 12.038 17.771 10.040 1.00 1.19 H new ATOM 1404 N PHE B 9 15.819 19.503 11.347 1.00 0.28 N ATOM 1405 CA PHE B 9 17.194 19.813 11.824 1.00 0.27 C ATOM 1406 C PHE B 9 17.361 21.329 11.912 1.00 0.25 C ATOM 1407 O PHE B 9 17.756 21.861 12.930 1.00 0.32 O ATOM 1408 CB PHE B 9 18.216 19.229 10.844 1.00 0.26 C ATOM 1409 CG PHE B 9 19.567 19.157 11.510 1.00 0.21 C ATOM 1410 CD1 PHE B 9 20.393 20.284 11.535 1.00 0.23 C ATOM 1411 CD2 PHE B 9 19.989 17.965 12.110 1.00 0.18 C ATOM 1412 CE1 PHE B 9 21.642 20.220 12.157 1.00 0.23 C ATOM 1413 CE2 PHE B 9 21.239 17.902 12.734 1.00 0.18 C ATOM 1414 CZ PHE B 9 22.065 19.031 12.756 1.00 0.20 C ATOM 0 H PHE B 9 15.765 18.860 10.557 1.00 0.28 H new ATOM 0 HA PHE B 9 17.355 19.374 12.809 1.00 0.27 H new ATOM 0 HB2 PHE B 9 17.903 18.235 10.525 1.00 0.26 H new ATOM 0 HB3 PHE B 9 18.273 19.848 9.949 1.00 0.26 H new ATOM 0 HD1 PHE B 9 20.066 21.204 11.074 1.00 0.23 H new ATOM 0 HD2 PHE B 9 19.350 17.095 12.091 1.00 0.18 H new ATOM 0 HE1 PHE B 9 22.281 21.090 12.175 1.00 0.23 H new ATOM 0 HE2 PHE B 9 21.566 16.983 13.198 1.00 0.18 H new ATOM 0 HZ PHE B 9 23.031 18.983 13.237 1.00 0.20 H new ATOM 1424 N LEU B 10 17.051 22.031 10.859 1.00 0.23 N ATOM 1425 CA LEU B 10 17.183 23.512 10.900 1.00 0.23 C ATOM 1426 C LEU B 10 16.262 24.055 11.993 1.00 0.24 C ATOM 1427 O LEU B 10 16.569 25.028 12.653 1.00 0.28 O ATOM 1428 CB LEU B 10 16.784 24.108 9.548 1.00 0.25 C ATOM 1429 CG LEU B 10 17.533 23.389 8.419 1.00 0.24 C ATOM 1430 CD1 LEU B 10 17.237 24.084 7.086 1.00 0.30 C ATOM 1431 CD2 LEU B 10 19.045 23.421 8.689 1.00 0.23 C ATOM 0 H LEU B 10 16.714 21.646 9.977 1.00 0.23 H new ATOM 0 HA LEU B 10 18.217 23.785 11.113 1.00 0.23 H new ATOM 0 HB2 LEU B 10 15.708 24.012 9.402 1.00 0.25 H new ATOM 0 HB3 LEU B 10 17.014 25.173 9.528 1.00 0.25 H new ATOM 0 HG LEU B 10 17.200 22.352 8.373 1.00 0.24 H new ATOM 0 HD11 LEU B 10 17.769 23.573 6.283 1.00 0.30 H new ATOM 0 HD12 LEU B 10 16.165 24.052 6.889 1.00 0.30 H new ATOM 0 HD13 LEU B 10 17.566 25.122 7.136 1.00 0.30 H new ATOM 0 HD21 LEU B 10 19.570 22.908 7.883 1.00 0.23 H new ATOM 0 HD22 LEU B 10 19.383 24.456 8.742 1.00 0.23 H new ATOM 0 HD23 LEU B 10 19.256 22.922 9.635 1.00 0.23 H new ATOM 1443 N ASP B 11 15.133 23.428 12.193 1.00 0.23 N ATOM 1444 CA ASP B 11 14.191 23.903 13.248 1.00 0.25 C ATOM 1445 C ASP B 11 14.917 23.936 14.597 1.00 0.22 C ATOM 1446 O ASP B 11 14.922 24.936 15.283 1.00 0.30 O ATOM 1447 CB ASP B 11 12.985 22.957 13.331 1.00 0.30 C ATOM 1448 CG ASP B 11 11.826 23.662 14.042 1.00 0.97 C ATOM 1449 OD1 ASP B 11 11.879 23.769 15.256 1.00 1.67 O ATOM 1450 OD2 ASP B 11 10.906 24.082 13.360 1.00 1.67 O ATOM 0 H ASP B 11 14.823 22.608 11.672 1.00 0.23 H new ATOM 0 HA ASP B 11 13.841 24.905 12.999 1.00 0.25 H new ATOM 0 HB2 ASP B 11 12.679 22.653 12.330 1.00 0.30 H new ATOM 0 HB3 ASP B 11 13.258 22.050 13.871 1.00 0.30 H new ATOM 1455 N TYR B 12 15.536 22.855 14.986 1.00 0.17 N ATOM 1456 CA TYR B 12 16.257 22.855 16.287 1.00 0.15 C ATOM 1457 C TYR B 12 17.296 23.977 16.273 1.00 0.16 C ATOM 1458 O TYR B 12 17.438 24.727 17.217 1.00 0.23 O ATOM 1459 CB TYR B 12 16.966 21.507 16.490 1.00 0.14 C ATOM 1460 CG TYR B 12 15.945 20.401 16.692 1.00 0.17 C ATOM 1461 CD1 TYR B 12 15.045 20.457 17.765 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.901 19.313 15.808 1.00 0.20 C ATOM 1463 CE1 TYR B 12 14.108 19.434 17.952 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.963 18.291 15.996 1.00 0.24 C ATOM 1465 CZ TYR B 12 14.067 18.352 17.068 1.00 0.27 C ATOM 1466 OH TYR B 12 13.143 17.344 17.253 1.00 0.32 O ATOM 0 H TYR B 12 15.573 21.980 14.464 1.00 0.17 H new ATOM 0 HA TYR B 12 15.548 23.010 17.100 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.590 21.282 15.625 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.628 21.563 17.354 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.075 21.292 18.450 1.00 0.23 H new ATOM 0 HD2 TYR B 12 16.593 19.264 14.980 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.416 19.481 18.780 1.00 0.27 H new ATOM 0 HE2 TYR B 12 14.931 17.455 15.313 1.00 0.24 H new ATOM 0 HH TYR B 12 13.249 16.670 16.550 1.00 0.32 H new ATOM 1476 N CYS B 13 18.019 24.088 15.200 1.00 0.19 N ATOM 1477 CA CYS B 13 19.058 25.151 15.089 1.00 0.24 C ATOM 1478 C CYS B 13 18.424 26.527 15.307 1.00 0.26 C ATOM 1479 O CYS B 13 18.954 27.356 16.020 1.00 0.33 O ATOM 1480 CB CYS B 13 19.687 25.091 13.695 1.00 0.30 C ATOM 1481 SG CYS B 13 20.669 26.581 13.399 1.00 1.27 S ATOM 0 H CYS B 13 17.936 23.482 14.384 1.00 0.19 H new ATOM 0 HA CYS B 13 19.824 24.991 15.848 1.00 0.24 H new ATOM 0 HB2 CYS B 13 20.318 24.206 13.609 1.00 0.30 H new ATOM 0 HB3 CYS B 13 18.908 25.002 12.938 1.00 0.30 H new ATOM 0 HG CYS B 13 19.883 27.558 13.055 1.00 1.27 H new ATOM 1487 N GLN B 14 17.295 26.781 14.702 1.00 0.24 N ATOM 1488 CA GLN B 14 16.639 28.105 14.882 1.00 0.27 C ATOM 1489 C GLN B 14 16.567 28.427 16.379 1.00 0.24 C ATOM 1490 O GLN B 14 16.691 29.565 16.785 1.00 0.29 O ATOM 1491 CB GLN B 14 15.224 28.058 14.276 1.00 0.32 C ATOM 1492 CG GLN B 14 15.271 28.420 12.783 1.00 0.62 C ATOM 1493 CD GLN B 14 15.320 29.941 12.619 1.00 0.88 C ATOM 1494 OE1 GLN B 14 16.047 30.616 13.320 1.00 1.69 O ATOM 1495 NE2 GLN B 14 14.568 30.512 11.718 1.00 1.44 N ATOM 0 H GLN B 14 16.801 26.130 14.092 1.00 0.24 H new ATOM 0 HA GLN B 14 17.213 28.881 14.377 1.00 0.27 H new ATOM 0 HB2 GLN B 14 14.800 27.062 14.403 1.00 0.32 H new ATOM 0 HB3 GLN B 14 14.571 28.752 14.805 1.00 0.32 H new ATOM 0 HG2 GLN B 14 16.146 27.967 12.317 1.00 0.62 H new ATOM 0 HG3 GLN B 14 14.395 28.018 12.274 1.00 0.62 H new ATOM 0 HE21 GLN B 14 13.958 29.945 11.129 1.00 1.44 H new ATOM 0 HE22 GLN B 14 14.591 31.525 11.602 1.00 1.44 H new ATOM 1504 N LYS B 15 16.379 27.432 17.205 1.00 0.23 N ATOM 1505 CA LYS B 15 16.315 27.690 18.669 1.00 0.23 C ATOM 1506 C LYS B 15 17.724 28.004 19.179 1.00 0.20 C ATOM 1507 O LYS B 15 17.968 29.037 19.768 1.00 0.23 O ATOM 1508 CB LYS B 15 15.768 26.455 19.384 1.00 0.24 C ATOM 1509 CG LYS B 15 14.313 26.229 18.964 1.00 0.55 C ATOM 1510 CD LYS B 15 13.856 24.832 19.400 1.00 1.19 C ATOM 1511 CE LYS B 15 13.753 24.772 20.927 1.00 1.47 C ATOM 1512 NZ LYS B 15 13.005 23.546 21.325 1.00 2.21 N ATOM 0 H LYS B 15 16.268 26.456 16.929 1.00 0.23 H new ATOM 0 HA LYS B 15 15.656 28.535 18.868 1.00 0.23 H new ATOM 0 HB2 LYS B 15 16.370 25.581 19.136 1.00 0.24 H new ATOM 0 HB3 LYS B 15 15.830 26.589 20.464 1.00 0.24 H new ATOM 0 HG2 LYS B 15 13.673 26.988 19.415 1.00 0.55 H new ATOM 0 HG3 LYS B 15 14.217 26.332 17.883 1.00 0.55 H new ATOM 0 HD2 LYS B 15 12.890 24.599 18.952 1.00 1.19 H new ATOM 0 HD3 LYS B 15 14.562 24.081 19.044 1.00 1.19 H new ATOM 0 HE2 LYS B 15 14.749 24.763 21.370 1.00 1.47 H new ATOM 0 HE3 LYS B 15 13.245 25.660 21.303 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 12.934 23.504 22.362 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 12.050 23.573 20.914 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 13.508 22.704 20.978 1.00 2.21 H new ATOM 1526 N LEU B 16 18.659 27.122 18.948 1.00 0.18 N ATOM 1527 CA LEU B 16 20.057 27.369 19.404 1.00 0.17 C ATOM 1528 C LEU B 16 20.468 28.798 19.017 1.00 0.18 C ATOM 1529 O LEU B 16 21.346 29.388 19.612 1.00 0.23 O ATOM 1530 CB LEU B 16 20.984 26.340 18.713 1.00 0.15 C ATOM 1531 CG LEU B 16 22.040 25.791 19.691 1.00 0.15 C ATOM 1532 CD1 LEU B 16 21.385 24.863 20.731 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.086 25.007 18.889 1.00 0.18 C ATOM 0 H LEU B 16 18.514 26.238 18.461 1.00 0.18 H new ATOM 0 HA LEU B 16 20.134 27.262 20.486 1.00 0.17 H new ATOM 0 HB2 LEU B 16 20.387 25.517 18.319 1.00 0.15 H new ATOM 0 HB3 LEU B 16 21.481 26.808 17.863 1.00 0.15 H new ATOM 0 HG LEU B 16 22.510 26.621 20.220 1.00 0.15 H new ATOM 0 HD11 LEU B 16 22.147 24.485 21.413 1.00 0.25 H new ATOM 0 HD12 LEU B 16 20.637 25.420 21.295 1.00 0.25 H new ATOM 0 HD13 LEU B 16 20.907 24.026 20.222 1.00 0.25 H new ATOM 0 HD21 LEU B 16 23.842 24.611 19.567 1.00 0.18 H new ATOM 0 HD22 LEU B 16 22.601 24.183 18.365 1.00 0.18 H new ATOM 0 HD23 LEU B 16 23.560 25.669 18.164 1.00 0.18 H new ATOM 1545 N LEU B 17 19.848 29.345 18.009 1.00 0.17 N ATOM 1546 CA LEU B 17 20.202 30.720 17.561 1.00 0.19 C ATOM 1547 C LEU B 17 19.461 31.773 18.397 1.00 0.22 C ATOM 1548 O LEU B 17 20.065 32.614 19.031 1.00 0.30 O ATOM 1549 CB LEU B 17 19.809 30.868 16.083 1.00 0.19 C ATOM 1550 CG LEU B 17 20.599 32.022 15.432 1.00 0.22 C ATOM 1551 CD1 LEU B 17 21.955 31.510 14.928 1.00 0.14 C ATOM 1552 CD2 LEU B 17 19.808 32.589 14.246 1.00 0.33 C ATOM 0 H LEU B 17 19.106 28.895 17.473 1.00 0.17 H new ATOM 0 HA LEU B 17 21.273 30.875 17.689 1.00 0.19 H new ATOM 0 HB2 LEU B 17 20.008 29.937 15.552 1.00 0.19 H new ATOM 0 HB3 LEU B 17 18.739 31.059 16.002 1.00 0.19 H new ATOM 0 HG LEU B 17 20.757 32.802 16.176 1.00 0.22 H new ATOM 0 HD11 LEU B 17 22.506 32.331 14.470 1.00 0.14 H new ATOM 0 HD12 LEU B 17 22.527 31.111 15.765 1.00 0.14 H new ATOM 0 HD13 LEU B 17 21.796 30.724 14.190 1.00 0.14 H new ATOM 0 HD21 LEU B 17 20.370 33.404 13.790 1.00 0.33 H new ATOM 0 HD22 LEU B 17 19.645 31.803 13.508 1.00 0.33 H new ATOM 0 HD23 LEU B 17 18.846 32.964 14.596 1.00 0.33 H new ATOM 1564 N GLU B 18 18.156 31.745 18.381 1.00 0.20 N ATOM 1565 CA GLU B 18 17.373 32.755 19.150 1.00 0.24 C ATOM 1566 C GLU B 18 17.752 32.711 20.635 1.00 0.22 C ATOM 1567 O GLU B 18 17.748 33.720 21.312 1.00 0.26 O ATOM 1568 CB GLU B 18 15.871 32.475 18.973 1.00 0.30 C ATOM 1569 CG GLU B 18 15.428 31.309 19.871 1.00 1.05 C ATOM 1570 CD GLU B 18 14.132 30.697 19.330 1.00 1.67 C ATOM 1571 OE1 GLU B 18 13.534 31.303 18.457 1.00 2.17 O ATOM 1572 OE2 GLU B 18 13.763 29.633 19.798 1.00 2.29 O ATOM 0 H GLU B 18 17.597 31.064 17.867 1.00 0.20 H new ATOM 0 HA GLU B 18 17.602 33.751 18.771 1.00 0.24 H new ATOM 0 HB2 GLU B 18 15.298 33.369 19.219 1.00 0.30 H new ATOM 0 HB3 GLU B 18 15.660 32.238 17.930 1.00 0.30 H new ATOM 0 HG2 GLU B 18 16.210 30.551 19.909 1.00 1.05 H new ATOM 0 HG3 GLU B 18 15.276 31.662 20.891 1.00 1.05 H new ATOM 1579 N LYS B 19 18.075 31.557 21.151 1.00 0.19 N ATOM 1580 CA LYS B 19 18.443 31.468 22.584 1.00 0.20 C ATOM 1581 C LYS B 19 19.726 32.266 22.824 1.00 0.19 C ATOM 1582 O LYS B 19 19.789 33.114 23.691 1.00 0.26 O ATOM 1583 CB LYS B 19 18.653 29.987 22.938 1.00 0.21 C ATOM 1584 CG LYS B 19 17.340 29.378 23.450 1.00 0.29 C ATOM 1585 CD LYS B 19 17.398 27.854 23.341 1.00 0.33 C ATOM 1586 CE LYS B 19 18.532 27.319 24.217 1.00 0.95 C ATOM 1587 NZ LYS B 19 18.399 25.841 24.353 1.00 1.68 N ATOM 0 H LYS B 19 18.099 30.675 20.639 1.00 0.19 H new ATOM 0 HA LYS B 19 17.655 31.882 23.213 1.00 0.20 H new ATOM 0 HB2 LYS B 19 18.999 29.440 22.061 1.00 0.21 H new ATOM 0 HB3 LYS B 19 19.428 29.893 23.699 1.00 0.21 H new ATOM 0 HG2 LYS B 19 17.172 29.671 24.486 1.00 0.29 H new ATOM 0 HG3 LYS B 19 16.500 29.761 22.870 1.00 0.29 H new ATOM 0 HD2 LYS B 19 16.448 27.421 23.654 1.00 0.33 H new ATOM 0 HD3 LYS B 19 17.556 27.559 22.304 1.00 0.33 H new ATOM 0 HE2 LYS B 19 19.496 27.569 23.775 1.00 0.95 H new ATOM 0 HE3 LYS B 19 18.500 27.790 25.200 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 18.388 25.585 25.361 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 17.513 25.530 23.907 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 19.203 25.376 23.886 1.00 1.68 H new ATOM 1601 N PHE B 20 20.743 32.010 22.054 1.00 0.15 N ATOM 1602 CA PHE B 20 22.013 32.756 22.222 1.00 0.15 C ATOM 1603 C PHE B 20 21.893 34.086 21.476 1.00 0.16 C ATOM 1604 O PHE B 20 22.825 34.860 21.393 1.00 0.25 O ATOM 1605 CB PHE B 20 23.145 31.919 21.640 1.00 0.14 C ATOM 1606 CG PHE B 20 23.401 30.735 22.544 1.00 0.13 C ATOM 1607 CD1 PHE B 20 22.500 29.664 22.548 1.00 0.14 C ATOM 1608 CD2 PHE B 20 24.531 30.701 23.376 1.00 0.14 C ATOM 1609 CE1 PHE B 20 22.723 28.560 23.376 1.00 0.14 C ATOM 1610 CE2 PHE B 20 24.753 29.594 24.206 1.00 0.15 C ATOM 1611 CZ PHE B 20 23.848 28.524 24.204 1.00 0.14 C ATOM 0 H PHE B 20 20.747 31.311 21.311 1.00 0.15 H new ATOM 0 HA PHE B 20 22.219 32.952 23.274 1.00 0.15 H new ATOM 0 HB2 PHE B 20 22.883 31.578 20.638 1.00 0.14 H new ATOM 0 HB3 PHE B 20 24.048 32.522 21.546 1.00 0.14 H new ATOM 0 HD1 PHE B 20 21.630 29.691 21.909 1.00 0.14 H new ATOM 0 HD2 PHE B 20 25.228 31.526 23.376 1.00 0.14 H new ATOM 0 HE1 PHE B 20 22.026 27.735 23.376 1.00 0.14 H new ATOM 0 HE2 PHE B 20 25.622 29.565 24.847 1.00 0.15 H new ATOM 0 HZ PHE B 20 24.020 27.671 24.843 1.00 0.14 H new ATOM 1621 N ARG B 21 20.728 34.352 20.949 1.00 0.15 N ATOM 1622 CA ARG B 21 20.493 35.631 20.215 1.00 0.17 C ATOM 1623 C ARG B 21 21.582 35.881 19.163 1.00 0.14 C ATOM 1624 O ARG B 21 22.020 36.999 18.976 1.00 0.18 O ATOM 1625 CB ARG B 21 20.484 36.788 21.215 1.00 0.23 C ATOM 1626 CG ARG B 21 19.405 36.538 22.270 1.00 0.58 C ATOM 1627 CD ARG B 21 19.235 37.787 23.136 1.00 1.16 C ATOM 1628 NE ARG B 21 18.260 37.504 24.227 1.00 1.87 N ATOM 1629 CZ ARG B 21 18.174 38.309 25.251 1.00 2.62 C ATOM 1630 NH1 ARG B 21 18.934 39.368 25.314 1.00 2.94 N ATOM 1631 NH2 ARG B 21 17.326 38.056 26.210 1.00 3.56 N ATOM 0 H ARG B 21 19.920 33.731 20.996 1.00 0.15 H new ATOM 0 HA ARG B 21 19.534 35.561 19.703 1.00 0.17 H new ATOM 0 HB2 ARG B 21 21.460 36.879 21.691 1.00 0.23 H new ATOM 0 HB3 ARG B 21 20.292 37.728 20.698 1.00 0.23 H new ATOM 0 HG2 ARG B 21 18.461 36.287 21.787 1.00 0.58 H new ATOM 0 HG3 ARG B 21 19.681 35.687 22.892 1.00 0.58 H new ATOM 0 HD2 ARG B 21 20.195 38.083 23.559 1.00 1.16 H new ATOM 0 HD3 ARG B 21 18.884 38.620 22.527 1.00 1.16 H new ATOM 0 HE ARG B 21 17.660 36.681 24.174 1.00 1.87 H new ATOM 0 HH11 ARG B 21 19.595 39.567 24.563 1.00 2.94 H new ATOM 0 HH12 ARG B 21 18.867 39.997 26.114 1.00 2.94 H new ATOM 0 HH21 ARG B 21 16.731 37.229 26.159 1.00 3.56 H new ATOM 0 HH22 ARG B 21 17.259 38.685 27.010 1.00 3.56 H new ATOM 1645 N TYR B 22 22.019 34.866 18.459 1.00 0.14 N ATOM 1646 CA TYR B 22 23.067 35.090 17.416 1.00 0.13 C ATOM 1647 C TYR B 22 22.379 35.576 16.117 1.00 0.15 C ATOM 1648 O TYR B 22 21.231 35.247 15.891 1.00 0.16 O ATOM 1649 CB TYR B 22 23.791 33.762 17.124 1.00 0.12 C ATOM 1650 CG TYR B 22 24.907 33.507 18.130 1.00 0.13 C ATOM 1651 CD1 TYR B 22 25.950 34.437 18.310 1.00 0.14 C ATOM 1652 CD2 TYR B 22 24.901 32.324 18.882 1.00 0.14 C ATOM 1653 CE1 TYR B 22 26.967 34.177 19.235 1.00 0.17 C ATOM 1654 CE2 TYR B 22 25.920 32.070 19.805 1.00 0.17 C ATOM 1655 CZ TYR B 22 26.952 32.996 19.981 1.00 0.18 C ATOM 1656 OH TYR B 22 27.956 32.744 20.891 1.00 0.21 O ATOM 0 H TYR B 22 21.700 33.902 18.559 1.00 0.14 H new ATOM 0 HA TYR B 22 23.784 35.831 17.768 1.00 0.13 H new ATOM 0 HB2 TYR B 22 23.075 32.941 17.156 1.00 0.12 H new ATOM 0 HB3 TYR B 22 24.205 33.785 16.116 1.00 0.12 H new ATOM 0 HD1 TYR B 22 25.964 35.350 17.734 1.00 0.14 H new ATOM 0 HD2 TYR B 22 24.106 31.606 18.748 1.00 0.14 H new ATOM 0 HE1 TYR B 22 27.766 34.891 19.373 1.00 0.17 H new ATOM 0 HE2 TYR B 22 25.910 31.157 20.383 1.00 0.17 H new ATOM 0 HH TYR B 22 28.741 32.392 20.422 1.00 0.21 H new ATOM 1666 N PRO B 23 23.088 36.319 15.280 1.00 0.16 N ATOM 1667 CA PRO B 23 22.516 36.798 14.005 1.00 0.18 C ATOM 1668 C PRO B 23 22.156 35.598 13.113 1.00 0.19 C ATOM 1669 O PRO B 23 22.398 34.458 13.456 1.00 0.19 O ATOM 1670 CB PRO B 23 23.626 37.659 13.361 1.00 0.19 C ATOM 1671 CG PRO B 23 24.893 37.519 14.249 1.00 0.17 C ATOM 1672 CD PRO B 23 24.483 36.747 15.523 1.00 0.15 C ATOM 0 HA PRO B 23 21.601 37.373 14.145 1.00 0.18 H new ATOM 0 HB2 PRO B 23 23.831 37.324 12.344 1.00 0.19 H new ATOM 0 HB3 PRO B 23 23.315 38.702 13.297 1.00 0.19 H new ATOM 0 HG2 PRO B 23 25.679 36.986 13.714 1.00 0.17 H new ATOM 0 HG3 PRO B 23 25.291 38.500 14.507 1.00 0.17 H new ATOM 0 HD2 PRO B 23 25.135 35.890 15.692 1.00 0.15 H new ATOM 0 HD3 PRO B 23 24.553 37.380 16.408 1.00 0.15 H new ATOM 1680 N TRP B 24 21.572 35.858 11.976 1.00 0.22 N ATOM 1681 CA TRP B 24 21.175 34.752 11.052 1.00 0.24 C ATOM 1682 C TRP B 24 22.387 34.232 10.265 1.00 0.25 C ATOM 1683 O TRP B 24 22.326 33.187 9.648 1.00 0.34 O ATOM 1684 CB TRP B 24 20.123 35.284 10.072 1.00 0.28 C ATOM 1685 CG TRP B 24 19.810 34.243 9.043 1.00 0.53 C ATOM 1686 CD1 TRP B 24 20.219 34.278 7.754 1.00 1.45 C ATOM 1687 CD2 TRP B 24 19.032 33.021 9.193 1.00 0.35 C ATOM 1688 NE1 TRP B 24 19.743 33.154 7.103 1.00 1.68 N ATOM 1689 CE2 TRP B 24 19.005 32.349 7.947 1.00 0.93 C ATOM 1690 CE3 TRP B 24 18.353 32.436 10.276 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 18.330 31.139 7.784 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 17.672 31.218 10.115 1.00 1.15 C ATOM 1693 CH2 TRP B 24 17.660 30.572 8.871 1.00 0.63 C ATOM 0 H TRP B 24 21.350 36.796 11.643 1.00 0.22 H new ATOM 0 HA TRP B 24 20.769 33.928 11.639 1.00 0.24 H new ATOM 0 HB2 TRP B 24 19.217 35.558 10.612 1.00 0.28 H new ATOM 0 HB3 TRP B 24 20.490 36.188 9.587 1.00 0.28 H new ATOM 0 HD1 TRP B 24 20.819 35.056 7.306 1.00 1.45 H new ATOM 0 HE1 TRP B 24 19.916 32.946 6.120 1.00 1.68 H new ATOM 0 HE3 TRP B 24 18.355 32.926 11.238 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 18.325 30.644 6.824 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 17.155 30.777 10.954 1.00 1.15 H new ATOM 0 HH2 TRP B 24 17.133 29.637 8.753 1.00 0.63 H new ATOM 1704 N GLU B 25 23.476 34.949 10.257 1.00 0.21 N ATOM 1705 CA GLU B 25 24.663 34.479 9.479 1.00 0.24 C ATOM 1706 C GLU B 25 25.358 33.315 10.199 1.00 0.21 C ATOM 1707 O GLU B 25 26.074 32.544 9.592 1.00 0.24 O ATOM 1708 CB GLU B 25 25.655 35.640 9.300 1.00 0.31 C ATOM 1709 CG GLU B 25 24.893 36.961 9.171 1.00 1.20 C ATOM 1710 CD GLU B 25 23.793 36.828 8.113 1.00 1.43 C ATOM 1711 OE1 GLU B 25 24.085 36.322 7.043 1.00 1.86 O ATOM 1712 OE2 GLU B 25 22.677 37.236 8.393 1.00 1.99 O ATOM 0 H GLU B 25 23.598 35.833 10.750 1.00 0.21 H new ATOM 0 HA GLU B 25 24.323 34.131 8.503 1.00 0.24 H new ATOM 0 HB2 GLU B 25 26.335 35.684 10.151 1.00 0.31 H new ATOM 0 HB3 GLU B 25 26.266 35.474 8.413 1.00 0.31 H new ATOM 0 HG2 GLU B 25 24.455 37.233 10.131 1.00 1.20 H new ATOM 0 HG3 GLU B 25 25.580 37.761 8.895 1.00 1.20 H new ATOM 1719 N LEU B 26 25.176 33.189 11.487 1.00 0.16 N ATOM 1720 CA LEU B 26 25.855 32.082 12.231 1.00 0.15 C ATOM 1721 C LEU B 26 24.979 30.829 12.254 1.00 0.15 C ATOM 1722 O LEU B 26 25.062 30.026 13.162 1.00 0.19 O ATOM 1723 CB LEU B 26 26.135 32.529 13.667 1.00 0.13 C ATOM 1724 CG LEU B 26 26.654 33.968 13.669 1.00 0.13 C ATOM 1725 CD1 LEU B 26 27.178 34.310 15.061 1.00 0.14 C ATOM 1726 CD2 LEU B 26 27.790 34.121 12.650 1.00 0.14 C ATOM 0 H LEU B 26 24.590 33.800 12.056 1.00 0.16 H new ATOM 0 HA LEU B 26 26.791 31.846 11.724 1.00 0.15 H new ATOM 0 HB2 LEU B 26 25.225 32.460 14.263 1.00 0.13 H new ATOM 0 HB3 LEU B 26 26.869 31.867 14.127 1.00 0.13 H new ATOM 0 HG LEU B 26 25.841 34.642 13.400 1.00 0.13 H new ATOM 0 HD11 LEU B 26 27.549 35.335 15.068 1.00 0.14 H new ATOM 0 HD12 LEU B 26 26.372 34.211 15.788 1.00 0.14 H new ATOM 0 HD13 LEU B 26 27.988 33.629 15.322 1.00 0.14 H new ATOM 0 HD21 LEU B 26 28.152 35.149 12.660 1.00 0.14 H new ATOM 0 HD22 LEU B 26 28.606 33.447 12.911 1.00 0.14 H new ATOM 0 HD23 LEU B 26 27.421 33.876 11.654 1.00 0.14 H new ATOM 1738 N MET B 27 24.149 30.641 11.267 1.00 0.15 N ATOM 1739 CA MET B 27 23.295 29.426 11.258 1.00 0.17 C ATOM 1740 C MET B 27 24.143 28.163 10.950 1.00 0.14 C ATOM 1741 O MET B 27 23.886 27.127 11.529 1.00 0.19 O ATOM 1742 CB MET B 27 22.150 29.588 10.234 1.00 0.20 C ATOM 1743 CG MET B 27 20.966 30.320 10.881 1.00 0.39 C ATOM 1744 SD MET B 27 20.052 29.182 11.956 1.00 1.31 S ATOM 1745 CE MET B 27 19.397 28.089 10.667 1.00 0.45 C ATOM 0 H MET B 27 24.027 31.271 10.474 1.00 0.15 H new ATOM 0 HA MET B 27 22.855 29.300 12.247 1.00 0.17 H new ATOM 0 HB2 MET B 27 22.503 30.146 9.367 1.00 0.20 H new ATOM 0 HB3 MET B 27 21.831 28.609 9.875 1.00 0.20 H new ATOM 0 HG2 MET B 27 21.325 31.171 11.459 1.00 0.39 H new ATOM 0 HG3 MET B 27 20.305 30.715 10.109 1.00 0.39 H new ATOM 0 HE1 MET B 27 18.357 27.848 10.888 1.00 0.45 H new ATOM 0 HE2 MET B 27 19.456 28.590 9.701 1.00 0.45 H new ATOM 0 HE3 MET B 27 19.984 27.171 10.636 1.00 0.45 H new ATOM 1755 N PRO B 28 25.131 28.253 10.063 1.00 0.09 N ATOM 1756 CA PRO B 28 25.974 27.079 9.737 1.00 0.09 C ATOM 1757 C PRO B 28 26.683 26.547 10.992 1.00 0.09 C ATOM 1758 O PRO B 28 27.001 25.380 11.083 1.00 0.14 O ATOM 1759 CB PRO B 28 26.989 27.600 8.696 1.00 0.10 C ATOM 1760 CG PRO B 28 26.479 28.989 8.235 1.00 0.12 C ATOM 1761 CD PRO B 28 25.493 29.478 9.310 1.00 0.12 C ATOM 0 HA PRO B 28 25.389 26.245 9.351 1.00 0.09 H new ATOM 0 HB2 PRO B 28 27.985 27.678 9.132 1.00 0.10 H new ATOM 0 HB3 PRO B 28 27.064 26.915 7.851 1.00 0.10 H new ATOM 0 HG2 PRO B 28 27.308 29.688 8.124 1.00 0.12 H new ATOM 0 HG3 PRO B 28 25.989 28.918 7.264 1.00 0.12 H new ATOM 0 HD2 PRO B 28 25.951 30.223 9.960 1.00 0.12 H new ATOM 0 HD3 PRO B 28 24.615 29.943 8.862 1.00 0.12 H new ATOM 1769 N LEU B 29 26.936 27.383 11.957 1.00 0.10 N ATOM 1770 CA LEU B 29 27.618 26.896 13.189 1.00 0.09 C ATOM 1771 C LEU B 29 26.586 26.206 14.076 1.00 0.10 C ATOM 1772 O LEU B 29 26.781 25.092 14.520 1.00 0.16 O ATOM 1773 CB LEU B 29 28.249 28.075 13.926 1.00 0.08 C ATOM 1774 CG LEU B 29 29.042 28.921 12.927 1.00 0.09 C ATOM 1775 CD1 LEU B 29 29.705 30.084 13.666 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.113 28.048 12.248 1.00 0.09 C ATOM 0 H LEU B 29 26.703 28.376 11.949 1.00 0.10 H new ATOM 0 HA LEU B 29 28.406 26.189 12.930 1.00 0.09 H new ATOM 0 HB2 LEU B 29 27.476 28.679 14.401 1.00 0.08 H new ATOM 0 HB3 LEU B 29 28.905 27.716 14.719 1.00 0.08 H new ATOM 0 HG LEU B 29 28.371 29.315 12.164 1.00 0.09 H new ATOM 0 HD11 LEU B 29 30.271 30.689 12.958 1.00 0.12 H new ATOM 0 HD12 LEU B 29 28.939 30.699 14.138 1.00 0.12 H new ATOM 0 HD13 LEU B 29 30.378 29.694 14.429 1.00 0.12 H new ATOM 0 HD21 LEU B 29 30.677 28.651 11.537 1.00 0.09 H new ATOM 0 HD22 LEU B 29 30.790 27.650 13.003 1.00 0.09 H new ATOM 0 HD23 LEU B 29 29.631 27.224 11.722 1.00 0.09 H new ATOM 1788 N MET B 30 25.472 26.844 14.315 1.00 0.10 N ATOM 1789 CA MET B 30 24.422 26.201 15.144 1.00 0.12 C ATOM 1790 C MET B 30 24.037 24.883 14.470 1.00 0.10 C ATOM 1791 O MET B 30 23.510 23.979 15.087 1.00 0.13 O ATOM 1792 CB MET B 30 23.195 27.117 15.213 1.00 0.16 C ATOM 1793 CG MET B 30 23.432 28.224 16.238 1.00 0.19 C ATOM 1794 SD MET B 30 24.879 29.200 15.747 1.00 1.23 S ATOM 1795 CE MET B 30 25.647 29.342 17.380 1.00 0.22 C ATOM 0 H MET B 30 25.248 27.778 13.972 1.00 0.10 H new ATOM 0 HA MET B 30 24.787 26.022 16.155 1.00 0.12 H new ATOM 0 HB2 MET B 30 22.999 27.552 14.233 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.313 26.538 15.487 1.00 0.16 H new ATOM 0 HG2 MET B 30 22.553 28.865 16.307 1.00 0.19 H new ATOM 0 HG3 MET B 30 23.589 27.792 17.226 1.00 0.19 H new ATOM 0 HE1 MET B 30 26.369 30.159 17.373 1.00 0.22 H new ATOM 0 HE2 MET B 30 24.879 29.543 18.127 1.00 0.22 H new ATOM 0 HE3 MET B 30 26.156 28.410 17.625 1.00 0.22 H new ATOM 1805 N TYR B 31 24.303 24.782 13.195 1.00 0.08 N ATOM 1806 CA TYR B 31 23.966 23.540 12.445 1.00 0.08 C ATOM 1807 C TYR B 31 24.961 22.437 12.809 1.00 0.08 C ATOM 1808 O TYR B 31 24.591 21.297 13.011 1.00 0.09 O ATOM 1809 CB TYR B 31 24.048 23.829 10.940 1.00 0.09 C ATOM 1810 CG TYR B 31 23.913 22.550 10.147 1.00 0.09 C ATOM 1811 CD1 TYR B 31 22.644 22.068 9.805 1.00 0.10 C ATOM 1812 CD2 TYR B 31 25.059 21.852 9.744 1.00 0.10 C ATOM 1813 CE1 TYR B 31 22.521 20.887 9.063 1.00 0.11 C ATOM 1814 CE2 TYR B 31 24.937 20.673 9.001 1.00 0.11 C ATOM 1815 CZ TYR B 31 23.667 20.189 8.661 1.00 0.11 C ATOM 1816 OH TYR B 31 23.544 19.026 7.929 1.00 0.13 O ATOM 0 H TYR B 31 24.743 25.514 12.637 1.00 0.08 H new ATOM 0 HA TYR B 31 22.959 23.214 12.704 1.00 0.08 H new ATOM 0 HB2 TYR B 31 23.260 24.526 10.654 1.00 0.09 H new ATOM 0 HB3 TYR B 31 24.998 24.309 10.707 1.00 0.09 H new ATOM 0 HD1 TYR B 31 21.760 22.607 10.113 1.00 0.10 H new ATOM 0 HD2 TYR B 31 26.038 22.225 10.007 1.00 0.10 H new ATOM 0 HE1 TYR B 31 21.542 20.514 8.800 1.00 0.11 H new ATOM 0 HE2 TYR B 31 25.821 20.136 8.690 1.00 0.11 H new ATOM 0 HH TYR B 31 24.435 18.668 7.731 1.00 0.13 H new ATOM 1826 N VAL B 32 26.221 22.763 12.887 1.00 0.08 N ATOM 1827 CA VAL B 32 27.234 21.727 13.229 1.00 0.08 C ATOM 1828 C VAL B 32 27.113 21.347 14.704 1.00 0.08 C ATOM 1829 O VAL B 32 27.027 20.185 15.048 1.00 0.10 O ATOM 1830 CB VAL B 32 28.644 22.267 12.957 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.677 21.232 13.418 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.812 22.537 11.452 1.00 0.08 C ATOM 0 H VAL B 32 26.592 23.700 12.729 1.00 0.08 H new ATOM 0 HA VAL B 32 27.058 20.845 12.613 1.00 0.08 H new ATOM 0 HB VAL B 32 28.793 23.198 13.504 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.681 21.610 13.227 1.00 0.08 H new ATOM 0 HG12 VAL B 32 29.556 21.047 14.485 1.00 0.08 H new ATOM 0 HG13 VAL B 32 29.530 20.302 12.870 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.814 22.921 11.261 1.00 0.08 H new ATOM 0 HG22 VAL B 32 28.666 21.610 10.898 1.00 0.08 H new ATOM 0 HG23 VAL B 32 28.075 23.272 11.130 1.00 0.08 H new ATOM 1842 N ILE B 33 27.116 22.314 15.579 1.00 0.08 N ATOM 1843 CA ILE B 33 27.010 22.010 17.032 1.00 0.08 C ATOM 1844 C ILE B 33 25.898 20.969 17.268 1.00 0.09 C ATOM 1845 O ILE B 33 26.108 19.974 17.934 1.00 0.10 O ATOM 1846 CB ILE B 33 26.735 23.324 17.770 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.019 24.166 17.751 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.333 23.048 19.214 1.00 0.09 C ATOM 1849 CD1 ILE B 33 27.748 25.584 18.267 1.00 0.08 C ATOM 0 H ILE B 33 27.188 23.305 15.349 1.00 0.08 H new ATOM 0 HA ILE B 33 27.936 21.579 17.413 1.00 0.08 H new ATOM 0 HB ILE B 33 25.920 23.856 17.279 1.00 0.08 H new ATOM 0 HG12 ILE B 33 28.781 23.689 18.368 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.414 24.213 16.736 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.141 23.992 19.725 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.431 22.437 19.230 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.139 22.518 19.721 1.00 0.09 H new ATOM 0 HD11 ILE B 33 28.672 26.162 18.244 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.003 26.066 17.634 1.00 0.08 H new ATOM 0 HD13 ILE B 33 27.376 25.534 19.290 1.00 0.08 H new ATOM 1861 N LEU B 34 24.731 21.164 16.706 1.00 0.08 N ATOM 1862 CA LEU B 34 23.635 20.159 16.877 1.00 0.09 C ATOM 1863 C LEU B 34 24.065 18.843 16.201 1.00 0.12 C ATOM 1864 O LEU B 34 23.877 17.770 16.737 1.00 0.16 O ATOM 1865 CB LEU B 34 22.352 20.717 16.192 1.00 0.10 C ATOM 1866 CG LEU B 34 21.244 21.232 17.183 1.00 0.10 C ATOM 1867 CD1 LEU B 34 21.783 21.606 18.577 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.574 22.467 16.568 1.00 0.11 C ATOM 0 H LEU B 34 24.489 21.975 16.136 1.00 0.08 H new ATOM 0 HA LEU B 34 23.435 19.972 17.932 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.637 21.536 15.531 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.923 19.936 15.565 1.00 0.10 H new ATOM 0 HG LEU B 34 20.541 20.411 17.327 1.00 0.10 H new ATOM 0 HD11 LEU B 34 20.961 21.952 19.204 1.00 0.10 H new ATOM 0 HD12 LEU B 34 22.246 20.732 19.035 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.524 22.399 18.480 1.00 0.10 H new ATOM 0 HD21 LEU B 34 19.802 22.837 17.243 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.321 23.245 16.410 1.00 0.11 H new ATOM 0 HD23 LEU B 34 20.122 22.198 15.613 1.00 0.11 H new ATOM 1880 N LYS B 35 24.628 18.919 15.027 1.00 0.13 N ATOM 1881 CA LYS B 35 25.052 17.675 14.318 1.00 0.17 C ATOM 1882 C LYS B 35 25.888 16.791 15.247 1.00 0.19 C ATOM 1883 O LYS B 35 25.781 15.581 15.223 1.00 0.28 O ATOM 1884 CB LYS B 35 25.889 18.047 13.089 1.00 0.16 C ATOM 1885 CG LYS B 35 26.211 16.778 12.288 1.00 0.19 C ATOM 1886 CD LYS B 35 27.019 17.135 11.026 1.00 0.26 C ATOM 1887 CE LYS B 35 26.071 17.508 9.880 1.00 0.70 C ATOM 1888 NZ LYS B 35 25.209 16.338 9.549 1.00 1.58 N ATOM 0 H LYS B 35 24.814 19.788 14.526 1.00 0.13 H new ATOM 0 HA LYS B 35 24.162 17.126 14.010 1.00 0.17 H new ATOM 0 HB2 LYS B 35 25.344 18.756 12.465 1.00 0.16 H new ATOM 0 HB3 LYS B 35 26.811 18.539 13.399 1.00 0.16 H new ATOM 0 HG2 LYS B 35 26.778 16.083 12.907 1.00 0.19 H new ATOM 0 HG3 LYS B 35 25.287 16.273 12.006 1.00 0.19 H new ATOM 0 HD2 LYS B 35 27.690 17.967 11.238 1.00 0.26 H new ATOM 0 HD3 LYS B 35 27.642 16.290 10.733 1.00 0.26 H new ATOM 0 HE2 LYS B 35 25.453 18.359 10.167 1.00 0.70 H new ATOM 0 HE3 LYS B 35 26.644 17.811 9.004 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 24.986 16.348 8.533 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 25.712 15.459 9.785 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 24.327 16.390 10.098 1.00 1.58 H new ATOM 1902 N ASP B 36 26.730 17.377 16.052 1.00 0.23 N ATOM 1903 CA ASP B 36 27.582 16.558 16.965 1.00 0.28 C ATOM 1904 C ASP B 36 26.833 16.268 18.265 1.00 0.26 C ATOM 1905 O ASP B 36 26.940 15.196 18.827 1.00 0.39 O ATOM 1906 CB ASP B 36 28.863 17.327 17.277 1.00 0.34 C ATOM 1907 CG ASP B 36 29.698 17.459 16.001 1.00 1.23 C ATOM 1908 OD1 ASP B 36 30.422 16.527 15.692 1.00 1.92 O ATOM 1909 OD2 ASP B 36 29.600 18.490 15.356 1.00 1.96 O ATOM 0 H ASP B 36 26.866 18.386 16.119 1.00 0.23 H new ATOM 0 HA ASP B 36 27.825 15.613 16.479 1.00 0.28 H new ATOM 0 HB2 ASP B 36 28.621 18.314 17.671 1.00 0.34 H new ATOM 0 HB3 ASP B 36 29.434 16.808 18.047 1.00 0.34 H new ATOM 1914 N ALA B 37 26.083 17.213 18.752 1.00 0.21 N ATOM 1915 CA ALA B 37 25.337 16.994 20.019 1.00 0.21 C ATOM 1916 C ALA B 37 24.101 16.146 19.750 1.00 0.20 C ATOM 1917 O ALA B 37 23.061 16.353 20.343 1.00 0.24 O ATOM 1918 CB ALA B 37 24.891 18.342 20.569 1.00 0.22 C ATOM 0 H ALA B 37 25.954 18.131 18.326 1.00 0.21 H new ATOM 0 HA ALA B 37 25.983 16.484 20.734 1.00 0.21 H new ATOM 0 HB1 ALA B 37 24.343 18.192 21.499 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.765 18.964 20.760 1.00 0.22 H new ATOM 0 HB3 ALA B 37 24.245 18.836 19.843 1.00 0.22 H new ATOM 1924 N ASP B 38 24.184 15.205 18.855 1.00 0.20 N ATOM 1925 CA ASP B 38 22.984 14.380 18.561 1.00 0.21 C ATOM 1926 C ASP B 38 21.827 15.334 18.261 1.00 0.18 C ATOM 1927 O ASP B 38 20.667 14.984 18.340 1.00 0.21 O ATOM 1928 CB ASP B 38 22.656 13.512 19.786 1.00 0.28 C ATOM 1929 CG ASP B 38 21.867 12.272 19.352 1.00 1.00 C ATOM 1930 OD1 ASP B 38 22.248 11.668 18.363 1.00 1.59 O ATOM 1931 OD2 ASP B 38 20.897 11.949 20.017 1.00 1.86 O ATOM 0 H ASP B 38 25.021 14.973 18.320 1.00 0.20 H new ATOM 0 HA ASP B 38 23.157 13.724 17.708 1.00 0.21 H new ATOM 0 HB2 ASP B 38 23.577 13.211 20.286 1.00 0.28 H new ATOM 0 HB3 ASP B 38 22.076 14.089 20.506 1.00 0.28 H new ATOM 1936 N ALA B 39 22.164 16.550 17.934 1.00 0.14 N ATOM 1937 CA ALA B 39 21.137 17.577 17.639 1.00 0.14 C ATOM 1938 C ALA B 39 20.273 17.801 18.880 1.00 0.15 C ATOM 1939 O ALA B 39 19.255 18.461 18.830 1.00 0.18 O ATOM 1940 CB ALA B 39 20.267 17.130 16.470 1.00 0.16 C ATOM 0 H ALA B 39 23.127 16.877 17.858 1.00 0.14 H new ATOM 0 HA ALA B 39 21.630 18.511 17.368 1.00 0.14 H new ATOM 0 HB1 ALA B 39 19.516 17.893 16.263 1.00 0.16 H new ATOM 0 HB2 ALA B 39 20.890 16.985 15.587 1.00 0.16 H new ATOM 0 HB3 ALA B 39 19.772 16.193 16.723 1.00 0.16 H new ATOM 1946 N ASN B 40 20.684 17.268 19.998 1.00 0.15 N ATOM 1947 CA ASN B 40 19.900 17.463 21.248 1.00 0.18 C ATOM 1948 C ASN B 40 20.222 18.861 21.784 1.00 0.15 C ATOM 1949 O ASN B 40 21.232 19.074 22.424 1.00 0.15 O ATOM 1950 CB ASN B 40 20.294 16.372 22.278 1.00 0.23 C ATOM 1951 CG ASN B 40 19.088 15.479 22.607 1.00 0.91 C ATOM 1952 OD1 ASN B 40 19.078 14.309 22.281 1.00 1.90 O ATOM 1953 ND2 ASN B 40 18.068 15.989 23.242 1.00 1.32 N ATOM 0 H ASN B 40 21.529 16.706 20.099 1.00 0.15 H new ATOM 0 HA ASN B 40 18.830 17.378 21.060 1.00 0.18 H new ATOM 0 HB2 ASN B 40 21.106 15.764 21.879 1.00 0.23 H new ATOM 0 HB3 ASN B 40 20.665 16.841 23.189 1.00 0.23 H new ATOM 0 HD21 ASN B 40 17.262 15.405 23.465 1.00 1.32 H new ATOM 0 HD22 ASN B 40 18.077 16.972 23.516 1.00 1.32 H new ATOM 1960 N ILE B 41 19.379 19.815 21.504 1.00 0.15 N ATOM 1961 CA ILE B 41 19.634 21.207 21.969 1.00 0.15 C ATOM 1962 C ILE B 41 20.112 21.206 23.425 1.00 0.15 C ATOM 1963 O ILE B 41 21.087 21.848 23.761 1.00 0.14 O ATOM 1964 CB ILE B 41 18.352 22.028 21.810 1.00 0.19 C ATOM 1965 CG1 ILE B 41 18.107 22.222 20.302 1.00 0.21 C ATOM 1966 CG2 ILE B 41 18.518 23.381 22.518 1.00 0.21 C ATOM 1967 CD1 ILE B 41 16.824 23.017 20.048 1.00 0.24 C ATOM 0 H ILE B 41 18.519 19.690 20.970 1.00 0.15 H new ATOM 0 HA ILE B 41 20.422 21.658 21.365 1.00 0.15 H new ATOM 0 HB ILE B 41 17.500 21.518 22.259 1.00 0.19 H new ATOM 0 HG12 ILE B 41 18.955 22.743 19.857 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.038 21.250 19.814 1.00 0.21 H new ATOM 0 HG21 ILE B 41 17.605 23.965 22.405 1.00 0.21 H new ATOM 0 HG22 ILE B 41 18.714 23.216 23.577 1.00 0.21 H new ATOM 0 HG23 ILE B 41 19.353 23.923 22.075 1.00 0.21 H new ATOM 0 HD11 ILE B 41 16.677 23.138 18.975 1.00 0.24 H new ATOM 0 HD12 ILE B 41 15.974 22.482 20.472 1.00 0.24 H new ATOM 0 HD13 ILE B 41 16.905 23.998 20.516 1.00 0.24 H new ATOM 1979 N GLU B 42 19.457 20.486 24.291 1.00 0.17 N ATOM 1980 CA GLU B 42 19.911 20.454 25.703 1.00 0.17 C ATOM 1981 C GLU B 42 21.374 20.016 25.731 1.00 0.16 C ATOM 1982 O GLU B 42 22.192 20.591 26.416 1.00 0.18 O ATOM 1983 CB GLU B 42 19.058 19.463 26.496 1.00 0.20 C ATOM 1984 CG GLU B 42 17.584 19.881 26.420 1.00 0.30 C ATOM 1985 CD GLU B 42 16.982 19.421 25.089 1.00 1.03 C ATOM 1986 OE1 GLU B 42 17.009 18.229 24.830 1.00 1.78 O ATOM 1987 OE2 GLU B 42 16.505 20.269 24.353 1.00 1.65 O ATOM 0 H GLU B 42 18.633 19.923 24.082 1.00 0.17 H new ATOM 0 HA GLU B 42 19.809 21.442 26.152 1.00 0.17 H new ATOM 0 HB2 GLU B 42 19.183 18.457 26.095 1.00 0.20 H new ATOM 0 HB3 GLU B 42 19.386 19.435 27.535 1.00 0.20 H new ATOM 0 HG2 GLU B 42 17.029 19.444 27.251 1.00 0.30 H new ATOM 0 HG3 GLU B 42 17.498 20.964 26.514 1.00 0.30 H new ATOM 1994 N GLU B 43 21.706 19.005 24.976 1.00 0.16 N ATOM 1995 CA GLU B 43 23.116 18.526 24.942 1.00 0.16 C ATOM 1996 C GLU B 43 24.005 19.597 24.309 1.00 0.14 C ATOM 1997 O GLU B 43 25.108 19.839 24.753 1.00 0.20 O ATOM 1998 CB GLU B 43 23.199 17.242 24.116 1.00 0.18 C ATOM 1999 CG GLU B 43 24.633 16.711 24.140 1.00 0.30 C ATOM 2000 CD GLU B 43 24.692 15.369 23.409 1.00 1.21 C ATOM 2001 OE1 GLU B 43 23.655 14.924 22.946 1.00 1.89 O ATOM 2002 OE2 GLU B 43 25.772 14.809 23.326 1.00 1.96 O ATOM 0 H GLU B 43 21.059 18.489 24.380 1.00 0.16 H new ATOM 0 HA GLU B 43 23.455 18.327 25.959 1.00 0.16 H new ATOM 0 HB2 GLU B 43 22.516 16.494 24.518 1.00 0.18 H new ATOM 0 HB3 GLU B 43 22.889 17.437 23.089 1.00 0.18 H new ATOM 0 HG2 GLU B 43 25.305 17.426 23.665 1.00 0.30 H new ATOM 0 HG3 GLU B 43 24.971 16.592 25.169 1.00 0.30 H new ATOM 2009 N ALA B 44 23.536 20.237 23.271 1.00 0.12 N ATOM 2010 CA ALA B 44 24.357 21.289 22.604 1.00 0.12 C ATOM 2011 C ALA B 44 24.389 22.552 23.475 1.00 0.12 C ATOM 2012 O ALA B 44 25.436 23.005 23.889 1.00 0.14 O ATOM 2013 CB ALA B 44 23.744 21.618 21.229 1.00 0.13 C ATOM 0 H ALA B 44 22.618 20.076 22.856 1.00 0.12 H new ATOM 0 HA ALA B 44 25.376 20.925 22.470 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.342 22.387 20.739 1.00 0.13 H new ATOM 0 HB2 ALA B 44 23.731 20.720 20.612 1.00 0.13 H new ATOM 0 HB3 ALA B 44 22.725 21.981 21.362 1.00 0.13 H new ATOM 2019 N SER B 45 23.247 23.125 23.738 1.00 0.12 N ATOM 2020 CA SER B 45 23.194 24.367 24.566 1.00 0.16 C ATOM 2021 C SER B 45 24.125 24.241 25.776 1.00 0.15 C ATOM 2022 O SER B 45 24.565 25.226 26.334 1.00 0.16 O ATOM 2023 CB SER B 45 21.763 24.591 25.051 1.00 0.19 C ATOM 2024 OG SER B 45 21.784 25.410 26.212 1.00 0.82 O ATOM 0 H SER B 45 22.342 22.785 23.414 1.00 0.12 H new ATOM 0 HA SER B 45 23.517 25.211 23.957 1.00 0.16 H new ATOM 0 HB2 SER B 45 21.171 25.065 24.268 1.00 0.19 H new ATOM 0 HB3 SER B 45 21.289 23.635 25.274 1.00 0.19 H new ATOM 0 HG SER B 45 20.867 25.557 26.525 1.00 0.82 H new ATOM 2030 N ARG B 46 24.423 23.042 26.189 1.00 0.17 N ATOM 2031 CA ARG B 46 25.320 22.863 27.366 1.00 0.20 C ATOM 2032 C ARG B 46 26.780 23.048 26.937 1.00 0.17 C ATOM 2033 O ARG B 46 27.640 23.343 27.744 1.00 0.23 O ATOM 2034 CB ARG B 46 25.113 21.461 27.948 1.00 0.24 C ATOM 2035 CG ARG B 46 23.769 21.419 28.697 1.00 0.84 C ATOM 2036 CD ARG B 46 23.316 19.968 28.903 1.00 1.21 C ATOM 2037 NE ARG B 46 24.127 19.347 29.988 1.00 1.63 N ATOM 2038 CZ ARG B 46 23.731 18.236 30.545 1.00 2.08 C ATOM 2039 NH1 ARG B 46 22.622 17.669 30.155 1.00 2.50 N ATOM 2040 NH2 ARG B 46 24.444 17.692 31.493 1.00 2.80 N ATOM 0 H ARG B 46 24.085 22.178 25.764 1.00 0.17 H new ATOM 0 HA ARG B 46 25.082 23.607 28.127 1.00 0.20 H new ATOM 0 HB2 ARG B 46 25.122 20.718 27.151 1.00 0.24 H new ATOM 0 HB3 ARG B 46 25.929 21.211 28.626 1.00 0.24 H new ATOM 0 HG2 ARG B 46 23.868 21.916 29.662 1.00 0.84 H new ATOM 0 HG3 ARG B 46 23.014 21.966 28.132 1.00 0.84 H new ATOM 0 HD2 ARG B 46 22.258 19.939 29.162 1.00 1.21 H new ATOM 0 HD3 ARG B 46 23.433 19.404 27.978 1.00 1.21 H new ATOM 0 HE ARG B 46 24.992 19.791 30.295 1.00 1.63 H new ATOM 0 HH11 ARG B 46 22.065 18.095 29.414 1.00 2.50 H new ATOM 0 HH12 ARG B 46 22.313 16.800 30.591 1.00 2.50 H new ATOM 0 HH21 ARG B 46 25.310 18.136 31.798 1.00 2.80 H new ATOM 0 HH22 ARG B 46 24.135 16.823 31.929 1.00 2.80 H new ATOM 2054 N ARG B 47 27.067 22.893 25.670 1.00 0.13 N ATOM 2055 CA ARG B 47 28.472 23.078 25.195 1.00 0.12 C ATOM 2056 C ARG B 47 28.731 24.569 24.981 1.00 0.11 C ATOM 2057 O ARG B 47 29.618 25.152 25.571 1.00 0.12 O ATOM 2058 CB ARG B 47 28.676 22.342 23.867 1.00 0.15 C ATOM 2059 CG ARG B 47 28.087 20.934 23.956 1.00 0.32 C ATOM 2060 CD ARG B 47 28.327 20.191 22.637 1.00 0.54 C ATOM 2061 NE ARG B 47 28.195 18.726 22.866 1.00 0.95 N ATOM 2062 CZ ARG B 47 28.083 17.913 21.851 1.00 1.20 C ATOM 2063 NH1 ARG B 47 28.078 18.384 20.634 1.00 1.81 N ATOM 2064 NH2 ARG B 47 27.976 16.629 22.055 1.00 1.62 N ATOM 0 H ARG B 47 26.392 22.647 24.946 1.00 0.13 H new ATOM 0 HA ARG B 47 29.160 22.677 25.939 1.00 0.12 H new ATOM 0 HB2 ARG B 47 28.199 22.895 23.058 1.00 0.15 H new ATOM 0 HB3 ARG B 47 29.739 22.287 23.631 1.00 0.15 H new ATOM 0 HG2 ARG B 47 28.546 20.389 24.781 1.00 0.32 H new ATOM 0 HG3 ARG B 47 27.019 20.989 24.165 1.00 0.32 H new ATOM 0 HD2 ARG B 47 27.609 20.519 21.886 1.00 0.54 H new ATOM 0 HD3 ARG B 47 29.320 20.422 22.252 1.00 0.54 H new ATOM 0 HE ARG B 47 28.192 18.357 23.817 1.00 0.95 H new ATOM 0 HH11 ARG B 47 28.162 19.388 20.475 1.00 1.81 H new ATOM 0 HH12 ARG B 47 27.990 17.748 19.841 1.00 1.81 H new ATOM 0 HH21 ARG B 47 27.980 16.262 23.007 1.00 1.62 H new ATOM 0 HH22 ARG B 47 27.888 15.992 21.263 1.00 1.62 H new ATOM 2078 N ILE B 48 27.953 25.185 24.135 1.00 0.10 N ATOM 2079 CA ILE B 48 28.129 26.641 23.862 1.00 0.09 C ATOM 2080 C ILE B 48 28.289 27.390 25.185 1.00 0.10 C ATOM 2081 O ILE B 48 29.289 28.035 25.429 1.00 0.10 O ATOM 2082 CB ILE B 48 26.904 27.165 23.116 1.00 0.10 C ATOM 2083 CG1 ILE B 48 26.630 26.254 21.913 1.00 0.10 C ATOM 2084 CG2 ILE B 48 27.183 28.590 22.636 1.00 0.10 C ATOM 2085 CD1 ILE B 48 25.500 26.835 21.068 1.00 0.10 C ATOM 0 H ILE B 48 27.196 24.739 23.616 1.00 0.10 H new ATOM 0 HA ILE B 48 29.018 26.797 23.251 1.00 0.09 H new ATOM 0 HB ILE B 48 26.035 27.171 23.774 1.00 0.10 H new ATOM 0 HG12 ILE B 48 27.532 26.153 21.309 1.00 0.10 H new ATOM 0 HG13 ILE B 48 26.362 25.255 22.256 1.00 0.10 H new ATOM 0 HG21 ILE B 48 26.312 28.971 22.102 1.00 0.10 H new ATOM 0 HG22 ILE B 48 27.391 29.229 23.494 1.00 0.10 H new ATOM 0 HG23 ILE B 48 28.045 28.587 21.969 1.00 0.10 H new ATOM 0 HD11 ILE B 48 25.311 26.183 20.215 1.00 0.10 H new ATOM 0 HD12 ILE B 48 24.596 26.913 21.673 1.00 0.10 H new ATOM 0 HD13 ILE B 48 25.784 27.825 20.711 1.00 0.10 H new ATOM 2097 N GLU B 49 27.315 27.298 26.047 1.00 0.10 N ATOM 2098 CA GLU B 49 27.412 27.992 27.364 1.00 0.11 C ATOM 2099 C GLU B 49 28.761 27.668 27.993 1.00 0.11 C ATOM 2100 O GLU B 49 29.579 28.535 28.227 1.00 0.12 O ATOM 2101 CB GLU B 49 26.309 27.466 28.278 1.00 0.13 C ATOM 2102 CG GLU B 49 24.980 28.165 27.962 1.00 0.14 C ATOM 2103 CD GLU B 49 24.937 29.534 28.647 1.00 0.16 C ATOM 2104 OE1 GLU B 49 25.176 29.584 29.843 1.00 1.10 O ATOM 2105 OE2 GLU B 49 24.665 30.507 27.964 1.00 1.07 O ATOM 0 H GLU B 49 26.454 26.772 25.897 1.00 0.10 H new ATOM 0 HA GLU B 49 27.309 29.069 27.228 1.00 0.11 H new ATOM 0 HB2 GLU B 49 26.202 26.389 28.148 1.00 0.13 H new ATOM 0 HB3 GLU B 49 26.579 27.636 29.320 1.00 0.13 H new ATOM 0 HG2 GLU B 49 24.869 28.284 26.884 1.00 0.14 H new ATOM 0 HG3 GLU B 49 24.146 27.551 28.303 1.00 0.14 H new ATOM 2112 N GLU B 50 29.004 26.413 28.250 1.00 0.12 N ATOM 2113 CA GLU B 50 30.305 26.020 28.843 1.00 0.12 C ATOM 2114 C GLU B 50 31.398 26.587 27.953 1.00 0.11 C ATOM 2115 O GLU B 50 32.519 26.772 28.362 1.00 0.11 O ATOM 2116 CB GLU B 50 30.415 24.495 28.895 1.00 0.14 C ATOM 2117 CG GLU B 50 31.647 24.099 29.710 1.00 0.17 C ATOM 2118 CD GLU B 50 31.670 22.582 29.894 1.00 1.14 C ATOM 2119 OE1 GLU B 50 30.859 21.917 29.270 1.00 1.97 O ATOM 2120 OE2 GLU B 50 32.496 22.110 30.657 1.00 1.78 O ATOM 0 H GLU B 50 28.356 25.645 28.074 1.00 0.12 H new ATOM 0 HA GLU B 50 30.397 26.403 29.859 1.00 0.12 H new ATOM 0 HB2 GLU B 50 29.517 24.070 29.344 1.00 0.14 H new ATOM 0 HB3 GLU B 50 30.488 24.091 27.885 1.00 0.14 H new ATOM 0 HG2 GLU B 50 32.553 24.428 29.202 1.00 0.17 H new ATOM 0 HG3 GLU B 50 31.628 24.594 30.681 1.00 0.17 H new ATOM 2127 N GLY B 51 31.056 26.878 26.732 1.00 0.10 N ATOM 2128 CA GLY B 51 32.062 27.455 25.793 1.00 0.09 C ATOM 2129 C GLY B 51 32.218 28.949 26.093 1.00 0.09 C ATOM 2130 O GLY B 51 33.293 29.426 26.397 1.00 0.10 O ATOM 0 H GLY B 51 30.124 26.742 26.340 1.00 0.10 H new ATOM 0 HA2 GLY B 51 33.019 26.946 25.906 1.00 0.09 H new ATOM 0 HA3 GLY B 51 31.743 27.309 24.761 1.00 0.09 H new ATOM 2134 N GLN B 52 31.141 29.686 26.025 1.00 0.10 N ATOM 2135 CA GLN B 52 31.199 31.151 26.323 1.00 0.11 C ATOM 2136 C GLN B 52 31.970 31.356 27.617 1.00 0.11 C ATOM 2137 O GLN B 52 32.851 32.187 27.711 1.00 0.13 O ATOM 2138 CB GLN B 52 29.775 31.686 26.493 1.00 0.13 C ATOM 2139 CG GLN B 52 28.951 31.362 25.244 1.00 0.19 C ATOM 2140 CD GLN B 52 29.346 32.302 24.109 1.00 0.54 C ATOM 2141 OE1 GLN B 52 29.919 33.348 24.340 1.00 1.37 O ATOM 2142 NE2 GLN B 52 29.061 31.972 22.881 1.00 0.74 N ATOM 0 H GLN B 52 30.217 29.335 25.774 1.00 0.10 H new ATOM 0 HA GLN B 52 31.693 31.680 25.508 1.00 0.11 H new ATOM 0 HB2 GLN B 52 29.311 31.240 27.373 1.00 0.13 H new ATOM 0 HB3 GLN B 52 29.798 32.763 26.656 1.00 0.13 H new ATOM 0 HG2 GLN B 52 29.117 30.327 24.946 1.00 0.19 H new ATOM 0 HG3 GLN B 52 27.888 31.465 25.461 1.00 0.19 H new ATOM 0 HE21 GLN B 52 28.580 31.094 22.688 1.00 0.74 H new ATOM 0 HE22 GLN B 52 29.319 32.592 22.113 1.00 0.74 H new ATOM 2151 N TYR B 53 31.643 30.593 28.613 1.00 0.11 N ATOM 2152 CA TYR B 53 32.355 30.722 29.911 1.00 0.13 C ATOM 2153 C TYR B 53 33.849 30.437 29.690 1.00 0.13 C ATOM 2154 O TYR B 53 34.700 31.105 30.240 1.00 0.16 O ATOM 2155 CB TYR B 53 31.745 29.730 30.926 1.00 0.14 C ATOM 2156 CG TYR B 53 32.719 29.446 32.054 1.00 0.17 C ATOM 2157 CD1 TYR B 53 33.787 28.580 31.833 1.00 0.17 C ATOM 2158 CD2 TYR B 53 32.554 30.046 33.308 1.00 0.22 C ATOM 2159 CE1 TYR B 53 34.700 28.304 32.848 1.00 0.22 C ATOM 2160 CE2 TYR B 53 33.467 29.771 34.336 1.00 0.26 C ATOM 2161 CZ TYR B 53 34.542 28.901 34.105 1.00 0.25 C ATOM 2162 OH TYR B 53 35.438 28.628 35.119 1.00 0.30 O ATOM 0 H TYR B 53 30.912 29.883 28.587 1.00 0.11 H new ATOM 0 HA TYR B 53 32.247 31.731 30.309 1.00 0.13 H new ATOM 0 HB2 TYR B 53 30.821 30.141 31.332 1.00 0.14 H new ATOM 0 HB3 TYR B 53 31.485 28.800 30.421 1.00 0.14 H new ATOM 0 HD1 TYR B 53 33.909 28.118 30.865 1.00 0.17 H new ATOM 0 HD2 TYR B 53 31.727 30.718 33.483 1.00 0.22 H new ATOM 0 HE1 TYR B 53 35.526 27.633 32.666 1.00 0.22 H new ATOM 0 HE2 TYR B 53 33.342 30.229 35.306 1.00 0.26 H new ATOM 0 HH TYR B 53 35.183 29.125 35.924 1.00 0.30 H new ATOM 2172 N VAL B 54 34.175 29.446 28.898 1.00 0.11 N ATOM 2173 CA VAL B 54 35.618 29.128 28.667 1.00 0.12 C ATOM 2174 C VAL B 54 36.317 30.336 28.029 1.00 0.12 C ATOM 2175 O VAL B 54 37.265 30.873 28.565 1.00 0.13 O ATOM 2176 CB VAL B 54 35.768 27.914 27.720 1.00 0.11 C ATOM 2177 CG1 VAL B 54 37.258 27.738 27.357 1.00 0.13 C ATOM 2178 CG2 VAL B 54 35.233 26.612 28.378 1.00 0.12 C ATOM 0 H VAL B 54 33.511 28.848 28.405 1.00 0.11 H new ATOM 0 HA VAL B 54 36.072 28.891 29.629 1.00 0.12 H new ATOM 0 HB VAL B 54 35.180 28.102 26.822 1.00 0.11 H new ATOM 0 HG11 VAL B 54 37.371 26.884 26.689 1.00 0.13 H new ATOM 0 HG12 VAL B 54 37.620 28.638 26.860 1.00 0.13 H new ATOM 0 HG13 VAL B 54 37.836 27.568 28.265 1.00 0.13 H new ATOM 0 HG21 VAL B 54 35.353 25.779 27.686 1.00 0.12 H new ATOM 0 HG22 VAL B 54 35.793 26.409 29.291 1.00 0.12 H new ATOM 0 HG23 VAL B 54 34.177 26.734 28.619 1.00 0.12 H new ATOM 2188 N VAL B 55 35.864 30.751 26.877 1.00 0.11 N ATOM 2189 CA VAL B 55 36.510 31.906 26.185 1.00 0.11 C ATOM 2190 C VAL B 55 36.553 33.121 27.114 1.00 0.14 C ATOM 2191 O VAL B 55 37.602 33.670 27.391 1.00 0.17 O ATOM 2192 CB VAL B 55 35.707 32.273 24.931 1.00 0.11 C ATOM 2193 CG1 VAL B 55 36.345 33.494 24.267 1.00 0.13 C ATOM 2194 CG2 VAL B 55 35.712 31.099 23.947 1.00 0.10 C ATOM 0 H VAL B 55 35.072 30.339 26.383 1.00 0.11 H new ATOM 0 HA VAL B 55 37.525 31.622 25.908 1.00 0.11 H new ATOM 0 HB VAL B 55 34.679 32.499 25.213 1.00 0.11 H new ATOM 0 HG11 VAL B 55 35.779 33.760 23.374 1.00 0.13 H new ATOM 0 HG12 VAL B 55 36.339 34.332 24.964 1.00 0.13 H new ATOM 0 HG13 VAL B 55 37.373 33.261 23.989 1.00 0.13 H new ATOM 0 HG21 VAL B 55 35.140 31.366 23.059 1.00 0.10 H new ATOM 0 HG22 VAL B 55 36.738 30.868 23.662 1.00 0.10 H new ATOM 0 HG23 VAL B 55 35.261 30.226 24.420 1.00 0.10 H new ATOM 2204 N ASN B 56 35.417 33.555 27.576 1.00 0.16 N ATOM 2205 CA ASN B 56 35.370 34.751 28.468 1.00 0.20 C ATOM 2206 C ASN B 56 36.267 34.552 29.694 1.00 0.22 C ATOM 2207 O ASN B 56 36.841 35.492 30.207 1.00 0.31 O ATOM 2208 CB ASN B 56 33.929 34.974 28.931 1.00 0.26 C ATOM 2209 CG ASN B 56 33.876 36.173 29.880 1.00 0.52 C ATOM 2210 OD1 ASN B 56 34.629 37.115 29.731 1.00 1.35 O ATOM 2211 ND2 ASN B 56 33.012 36.177 30.857 1.00 0.91 N ATOM 0 H ASN B 56 34.511 33.132 27.375 1.00 0.16 H new ATOM 0 HA ASN B 56 35.728 35.617 27.911 1.00 0.20 H new ATOM 0 HB2 ASN B 56 33.283 35.149 28.071 1.00 0.26 H new ATOM 0 HB3 ASN B 56 33.556 34.082 29.434 1.00 0.26 H new ATOM 0 HD21 ASN B 56 32.968 36.971 31.496 1.00 0.91 H new ATOM 0 HD22 ASN B 56 32.380 35.386 30.982 1.00 0.91 H new