USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 496 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: A 45 GLN : amide:sc= 0.486 K(o=1.7,f=0.57) USER MOD Set 1.2: A 47 TYR OH : rot 17:sc= 1.22 USER MOD Set 2.1: A 16 CYS SG : rot 80:sc= -0.977! USER MOD Set 2.2: A 78 CYS SG : rot -139:sc= -0.611! USER MOD Set 3.1: A 13 LYS NZ :NH3+ -163:sc= 1.21 (180deg=0) USER MOD Set 3.2: A 79 SER OG : rot 180:sc= 1.02 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 143:sc= 0.875 (180deg=0.133) USER MOD Single : A 29 ASN : amide:sc= -0.058 X(o=-0.058,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -150:sc= 0 USER MOD Single : A 37 MET CE :methyl -119:sc= -0.897 (180deg=-5.41!) USER MOD Single : A 39 MET CE :methyl -135:sc= -2.02 (180deg=-3.54!) USER MOD Single : A 41 THR OG1 : rot 73:sc= 0.897 USER MOD Single : A 42 LYS NZ :NH3+ -126:sc= 0 (180deg=-1.31!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.417 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -99:sc= -1.18 USER MOD Single : A 56 MET CE :methyl 145:sc= -1.45 (180deg=-4.95!) USER MOD Single : A 57 LYS NZ :NH3+ 179:sc= 1.11 (180deg=1.11) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -2.77! C(o=-2.8!,f=-3.5!) USER MOD Single : A 76 THR OG1 : rot 166:sc= 1.21 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 26.185 -30.487 -23.903 1.00 0.00 N ATOM 159 CA GLU A 12 27.559 -30.021 -24.129 1.00 0.00 C ATOM 160 C GLU A 12 27.660 -28.911 -25.176 1.00 0.00 C ATOM 161 O GLU A 12 28.198 -27.838 -24.901 1.00 0.00 O ATOM 162 CB GLU A 12 28.529 -31.172 -24.421 1.00 0.00 C ATOM 163 CG GLU A 12 28.719 -32.045 -23.180 1.00 0.00 C ATOM 164 CD GLU A 12 29.682 -33.181 -23.462 1.00 0.00 C ATOM 165 OE1 GLU A 12 29.253 -34.208 -24.029 1.00 0.00 O ATOM 166 OE2 GLU A 12 30.879 -33.050 -23.129 1.00 0.00 O ATOM 0 HA GLU A 12 27.869 -29.573 -23.185 1.00 0.00 H new ATOM 0 HB2 GLU A 12 28.146 -31.777 -25.243 1.00 0.00 H new ATOM 0 HB3 GLU A 12 29.491 -30.772 -24.741 1.00 0.00 H new ATOM 0 HG2 GLU A 12 29.097 -31.438 -22.357 1.00 0.00 H new ATOM 0 HG3 GLU A 12 27.757 -32.448 -22.863 1.00 0.00 H new ATOM 173 N LYS A 13 27.157 -29.147 -26.391 1.00 0.00 N ATOM 174 CA LYS A 13 27.128 -28.055 -27.362 1.00 0.00 C ATOM 175 C LYS A 13 26.264 -26.889 -26.862 1.00 0.00 C ATOM 176 O LYS A 13 26.584 -25.719 -27.084 1.00 0.00 O ATOM 177 CB LYS A 13 26.698 -28.451 -28.790 1.00 0.00 C ATOM 178 CG LYS A 13 27.093 -29.886 -29.173 1.00 0.00 C ATOM 179 CD LYS A 13 28.603 -30.026 -29.396 1.00 0.00 C ATOM 180 CE LYS A 13 28.967 -31.503 -29.588 1.00 0.00 C ATOM 181 NZ LYS A 13 28.708 -31.912 -30.981 1.00 0.00 N ATOM 0 H LYS A 13 26.782 -30.039 -26.714 1.00 0.00 H new ATOM 0 HA LYS A 13 28.170 -27.745 -27.444 1.00 0.00 H new ATOM 0 HB2 LYS A 13 25.617 -28.344 -28.878 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.146 -27.757 -29.501 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.778 -30.571 -28.386 1.00 0.00 H new ATOM 0 HG3 LYS A 13 26.564 -30.178 -30.080 1.00 0.00 H new ATOM 0 HD2 LYS A 13 28.905 -29.451 -30.271 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.145 -29.617 -28.543 1.00 0.00 H new ATOM 0 HE2 LYS A 13 30.017 -31.661 -29.344 1.00 0.00 H new ATOM 0 HE3 LYS A 13 28.384 -32.121 -28.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 28.677 -32.950 -31.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.797 -31.521 -31.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 29.467 -31.554 -31.595 1.00 0.00 H new ATOM 195 N ASP A 14 25.168 -27.200 -26.156 1.00 0.00 N ATOM 196 CA ASP A 14 24.404 -26.111 -25.549 1.00 0.00 C ATOM 197 C ASP A 14 25.210 -25.354 -24.484 1.00 0.00 C ATOM 198 O ASP A 14 25.143 -24.130 -24.394 1.00 0.00 O ATOM 199 CB ASP A 14 23.047 -26.546 -24.997 1.00 0.00 C ATOM 200 CG ASP A 14 22.037 -25.403 -25.034 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.407 -25.192 -26.093 1.00 0.00 O ATOM 202 OD2 ASP A 14 21.891 -24.691 -24.018 1.00 0.00 O ATOM 0 H ASP A 14 24.809 -28.141 -25.998 1.00 0.00 H new ATOM 0 HA ASP A 14 24.199 -25.423 -26.369 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.669 -27.386 -25.579 1.00 0.00 H new ATOM 0 HB3 ASP A 14 23.165 -26.896 -23.971 1.00 0.00 H new ATOM 207 N GLU A 15 26.010 -26.079 -23.701 1.00 0.00 N ATOM 208 CA GLU A 15 26.874 -25.404 -22.727 1.00 0.00 C ATOM 209 C GLU A 15 27.853 -24.426 -23.368 1.00 0.00 C ATOM 210 O GLU A 15 27.966 -23.273 -22.953 1.00 0.00 O ATOM 211 CB GLU A 15 27.656 -26.403 -21.848 1.00 0.00 C ATOM 212 CG GLU A 15 27.000 -26.572 -20.476 1.00 0.00 C ATOM 213 CD GLU A 15 27.966 -27.198 -19.484 1.00 0.00 C ATOM 214 OE1 GLU A 15 28.064 -28.444 -19.441 1.00 0.00 O ATOM 215 OE2 GLU A 15 28.638 -26.447 -18.745 1.00 0.00 O ATOM 0 H GLU A 15 26.080 -27.096 -23.717 1.00 0.00 H new ATOM 0 HA GLU A 15 26.190 -24.834 -22.098 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.707 -27.369 -22.350 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.681 -26.054 -21.722 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.670 -25.602 -20.105 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.112 -27.197 -20.568 1.00 0.00 H new ATOM 222 N CYS A 16 28.542 -24.874 -24.409 1.00 0.00 N ATOM 223 CA CYS A 16 29.602 -24.015 -24.967 1.00 0.00 C ATOM 224 C CYS A 16 28.977 -22.855 -25.781 1.00 0.00 C ATOM 225 O CYS A 16 29.582 -21.786 -25.871 1.00 0.00 O ATOM 226 CB CYS A 16 30.430 -24.956 -25.870 1.00 0.00 C ATOM 227 SG CYS A 16 30.617 -26.589 -25.078 1.00 0.00 S ATOM 0 H CYS A 16 28.406 -25.774 -24.870 1.00 0.00 H new ATOM 0 HA CYS A 16 30.219 -23.549 -24.198 1.00 0.00 H new ATOM 0 HB2 CYS A 16 29.940 -25.067 -26.837 1.00 0.00 H new ATOM 0 HB3 CYS A 16 31.411 -24.521 -26.058 1.00 0.00 H new ATOM 0 HG CYS A 16 29.536 -27.287 -25.263 1.00 0.00 H new ATOM 233 N MET A 17 27.762 -22.997 -26.340 1.00 0.00 N ATOM 234 CA MET A 17 27.156 -21.817 -26.989 1.00 0.00 C ATOM 235 C MET A 17 26.452 -20.905 -25.969 1.00 0.00 C ATOM 236 O MET A 17 26.280 -19.709 -26.201 1.00 0.00 O ATOM 237 CB MET A 17 26.251 -22.100 -28.198 1.00 0.00 C ATOM 238 CG MET A 17 26.310 -20.954 -29.224 1.00 0.00 C ATOM 239 SD MET A 17 27.203 -21.482 -30.702 1.00 0.00 S ATOM 240 CE MET A 17 28.457 -20.182 -30.838 1.00 0.00 C ATOM 0 H MET A 17 27.210 -23.854 -26.359 1.00 0.00 H new ATOM 0 HA MET A 17 28.012 -21.292 -27.413 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.557 -23.032 -28.673 1.00 0.00 H new ATOM 0 HB3 MET A 17 25.223 -22.236 -27.861 1.00 0.00 H new ATOM 0 HG2 MET A 17 25.300 -20.644 -29.492 1.00 0.00 H new ATOM 0 HG3 MET A 17 26.803 -20.087 -28.783 1.00 0.00 H new ATOM 0 HE1 MET A 17 29.086 -20.373 -31.707 1.00 0.00 H new ATOM 0 HE2 MET A 17 27.967 -19.215 -30.950 1.00 0.00 H new ATOM 0 HE3 MET A 17 29.073 -20.175 -29.939 1.00 0.00 H new ATOM 250 N LYS A 18 26.042 -21.457 -24.824 1.00 0.00 N ATOM 251 CA LYS A 18 25.495 -20.609 -23.768 1.00 0.00 C ATOM 252 C LYS A 18 26.557 -19.701 -23.149 1.00 0.00 C ATOM 253 O LYS A 18 26.356 -18.499 -22.974 1.00 0.00 O ATOM 254 CB LYS A 18 24.810 -21.452 -22.688 1.00 0.00 C ATOM 255 CG LYS A 18 23.540 -20.791 -22.147 1.00 0.00 C ATOM 256 CD LYS A 18 22.304 -21.539 -22.651 1.00 0.00 C ATOM 257 CE LYS A 18 21.953 -21.166 -24.096 1.00 0.00 C ATOM 258 NZ LYS A 18 22.442 -22.208 -25.017 1.00 0.00 N ATOM 0 H LYS A 18 26.077 -22.454 -24.610 1.00 0.00 H new ATOM 0 HA LYS A 18 24.748 -19.965 -24.233 1.00 0.00 H new ATOM 0 HB2 LYS A 18 24.560 -22.430 -23.099 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.507 -21.620 -21.867 1.00 0.00 H new ATOM 0 HG2 LYS A 18 23.556 -20.792 -21.057 1.00 0.00 H new ATOM 0 HG3 LYS A 18 23.499 -19.749 -22.465 1.00 0.00 H new ATOM 0 HD2 LYS A 18 22.480 -22.613 -22.587 1.00 0.00 H new ATOM 0 HD3 LYS A 18 21.456 -21.315 -22.003 1.00 0.00 H new ATOM 0 HE2 LYS A 18 20.874 -21.054 -24.200 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.399 -20.205 -24.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.759 -22.336 -25.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 23.361 -21.920 -25.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.552 -23.104 -24.501 1.00 0.00 H new ATOM 272 N ILE A 19 27.706 -20.277 -22.804 1.00 0.00 N ATOM 273 CA ILE A 19 28.817 -19.422 -22.376 1.00 0.00 C ATOM 274 C ILE A 19 29.381 -18.563 -23.521 1.00 0.00 C ATOM 275 O ILE A 19 29.947 -17.499 -23.287 1.00 0.00 O ATOM 276 CB ILE A 19 29.917 -20.147 -21.606 1.00 0.00 C ATOM 277 CG1 ILE A 19 30.930 -19.109 -21.108 1.00 0.00 C ATOM 278 CG2 ILE A 19 30.554 -21.233 -22.463 1.00 0.00 C ATOM 279 CD1 ILE A 19 31.740 -19.578 -19.905 1.00 0.00 C ATOM 0 H ILE A 19 27.892 -21.280 -22.809 1.00 0.00 H new ATOM 0 HA ILE A 19 28.369 -18.741 -21.652 1.00 0.00 H new ATOM 0 HB ILE A 19 29.499 -20.659 -20.739 1.00 0.00 H new ATOM 0 HG12 ILE A 19 31.612 -18.860 -21.921 1.00 0.00 H new ATOM 0 HG13 ILE A 19 30.400 -18.193 -20.845 1.00 0.00 H new ATOM 0 HG21 ILE A 19 31.335 -21.735 -21.892 1.00 0.00 H new ATOM 0 HG22 ILE A 19 29.794 -21.958 -22.755 1.00 0.00 H new ATOM 0 HG23 ILE A 19 30.989 -20.784 -23.356 1.00 0.00 H new ATOM 0 HD11 ILE A 19 32.436 -18.794 -19.607 1.00 0.00 H new ATOM 0 HD12 ILE A 19 31.067 -19.800 -19.077 1.00 0.00 H new ATOM 0 HD13 ILE A 19 32.297 -20.476 -20.170 1.00 0.00 H new ATOM 291 N PHE A 20 29.262 -19.016 -24.768 1.00 0.00 N ATOM 292 CA PHE A 20 29.530 -18.083 -25.875 1.00 0.00 C ATOM 293 C PHE A 20 28.576 -16.880 -25.759 1.00 0.00 C ATOM 294 O PHE A 20 28.995 -15.734 -25.827 1.00 0.00 O ATOM 295 CB PHE A 20 29.517 -18.726 -27.284 1.00 0.00 C ATOM 296 CG PHE A 20 30.122 -17.808 -28.355 1.00 0.00 C ATOM 297 CD1 PHE A 20 29.364 -16.835 -28.918 1.00 0.00 C ATOM 298 CD2 PHE A 20 31.456 -17.828 -28.618 1.00 0.00 C ATOM 299 CE1 PHE A 20 29.961 -15.756 -29.485 1.00 0.00 C ATOM 300 CE2 PHE A 20 32.064 -16.701 -29.061 1.00 0.00 C ATOM 301 CZ PHE A 20 31.311 -15.654 -29.474 1.00 0.00 C ATOM 0 H PHE A 20 28.998 -19.964 -25.035 1.00 0.00 H new ATOM 0 HA PHE A 20 30.560 -17.743 -25.770 1.00 0.00 H new ATOM 0 HB2 PHE A 20 30.073 -19.663 -27.257 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.491 -18.972 -27.558 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.287 -16.918 -28.915 1.00 0.00 H new ATOM 0 HD2 PHE A 20 32.026 -18.734 -28.475 1.00 0.00 H new ATOM 0 HE1 PHE A 20 29.362 -14.983 -29.943 1.00 0.00 H new ATOM 0 HE2 PHE A 20 33.142 -16.638 -29.085 1.00 0.00 H new ATOM 0 HZ PHE A 20 31.787 -14.739 -29.794 1.00 0.00 H new ATOM 311 N ASP A 21 27.311 -17.137 -25.437 1.00 0.00 N ATOM 312 CA ASP A 21 26.368 -16.028 -25.224 1.00 0.00 C ATOM 313 C ASP A 21 26.640 -15.171 -23.972 1.00 0.00 C ATOM 314 O ASP A 21 26.353 -13.974 -23.943 1.00 0.00 O ATOM 315 CB ASP A 21 24.928 -16.560 -25.208 1.00 0.00 C ATOM 316 CG ASP A 21 23.929 -15.564 -25.776 1.00 0.00 C ATOM 317 OD1 ASP A 21 23.831 -15.449 -27.017 1.00 0.00 O ATOM 318 OD2 ASP A 21 23.240 -14.882 -24.986 1.00 0.00 O ATOM 0 H ASP A 21 26.918 -18.071 -25.319 1.00 0.00 H new ATOM 0 HA ASP A 21 26.518 -15.352 -26.066 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.880 -17.485 -25.783 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.647 -16.806 -24.184 1.00 0.00 H new ATOM 323 N ILE A 22 27.148 -15.788 -22.911 1.00 0.00 N ATOM 324 CA ILE A 22 27.542 -14.973 -21.737 1.00 0.00 C ATOM 325 C ILE A 22 28.862 -14.230 -21.996 1.00 0.00 C ATOM 326 O ILE A 22 28.951 -13.005 -21.901 1.00 0.00 O ATOM 327 CB ILE A 22 27.675 -15.701 -20.366 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.390 -16.411 -19.914 1.00 0.00 C ATOM 329 CG2 ILE A 22 28.049 -14.685 -19.280 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.750 -17.561 -18.969 1.00 0.00 C ATOM 0 H ILE A 22 27.297 -16.793 -22.825 1.00 0.00 H new ATOM 0 HA ILE A 22 26.689 -14.302 -21.636 1.00 0.00 H new ATOM 0 HB ILE A 22 28.445 -16.460 -20.505 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.729 -15.705 -19.411 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.849 -16.793 -20.780 1.00 0.00 H new ATOM 0 HG21 ILE A 22 28.142 -15.195 -18.321 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.999 -14.214 -19.534 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.273 -13.923 -19.212 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.839 -18.066 -18.647 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.394 -18.270 -19.488 1.00 0.00 H new ATOM 0 HD13 ILE A 22 27.273 -17.166 -18.098 1.00 0.00 H new ATOM 342 N PHE A 23 29.899 -14.998 -22.304 1.00 0.00 N ATOM 343 CA PHE A 23 31.232 -14.394 -22.456 1.00 0.00 C ATOM 344 C PHE A 23 31.390 -13.552 -23.719 1.00 0.00 C ATOM 345 O PHE A 23 32.249 -12.671 -23.782 1.00 0.00 O ATOM 346 CB PHE A 23 32.349 -15.448 -22.442 1.00 0.00 C ATOM 347 CG PHE A 23 32.737 -15.865 -21.026 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.773 -16.105 -20.107 1.00 0.00 C ATOM 349 CD2 PHE A 23 34.030 -15.778 -20.622 1.00 0.00 C ATOM 350 CE1 PHE A 23 32.043 -15.971 -18.789 1.00 0.00 C ATOM 351 CE2 PHE A 23 34.306 -15.634 -19.301 1.00 0.00 C ATOM 352 CZ PHE A 23 33.302 -15.674 -18.391 1.00 0.00 C ATOM 0 H PHE A 23 29.857 -16.006 -22.451 1.00 0.00 H new ATOM 0 HA PHE A 23 31.323 -13.736 -21.592 1.00 0.00 H new ATOM 0 HB2 PHE A 23 32.024 -16.326 -23.000 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.226 -15.051 -22.954 1.00 0.00 H new ATOM 0 HD1 PHE A 23 30.786 -16.404 -20.427 1.00 0.00 H new ATOM 0 HD2 PHE A 23 34.831 -15.823 -21.345 1.00 0.00 H new ATOM 0 HE1 PHE A 23 31.259 -16.100 -18.058 1.00 0.00 H new ATOM 0 HE2 PHE A 23 35.325 -15.488 -18.975 1.00 0.00 H new ATOM 0 HZ PHE A 23 33.506 -15.469 -17.350 1.00 0.00 H new ATOM 362 N ASP A 24 30.583 -13.815 -24.748 1.00 0.00 N ATOM 363 CA ASP A 24 30.768 -13.063 -25.983 1.00 0.00 C ATOM 364 C ASP A 24 30.438 -11.551 -25.862 1.00 0.00 C ATOM 365 O ASP A 24 30.614 -10.790 -26.811 1.00 0.00 O ATOM 366 CB ASP A 24 29.977 -13.586 -27.189 1.00 0.00 C ATOM 367 CG ASP A 24 28.475 -13.291 -27.123 1.00 0.00 C ATOM 368 OD1 ASP A 24 27.936 -13.122 -26.010 1.00 0.00 O ATOM 369 OD2 ASP A 24 27.831 -13.215 -28.193 1.00 0.00 O ATOM 0 H ASP A 24 29.833 -14.506 -24.754 1.00 0.00 H new ATOM 0 HA ASP A 24 31.834 -13.209 -26.156 1.00 0.00 H new ATOM 0 HB2 ASP A 24 30.384 -13.143 -28.098 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.122 -14.663 -27.267 1.00 0.00 H new ATOM 437 N ASN A 29 33.193 -9.458 -28.426 1.00 0.00 N ATOM 438 CA ASN A 29 33.150 -10.240 -29.681 1.00 0.00 C ATOM 439 C ASN A 29 34.378 -11.134 -29.889 1.00 0.00 C ATOM 440 O ASN A 29 34.346 -12.049 -30.709 1.00 0.00 O ATOM 441 CB ASN A 29 32.862 -9.401 -30.948 1.00 0.00 C ATOM 442 CG ASN A 29 31.678 -9.946 -31.762 1.00 0.00 C ATOM 443 OD1 ASN A 29 31.831 -10.332 -32.919 1.00 0.00 O ATOM 444 ND2 ASN A 29 30.486 -9.978 -31.184 1.00 0.00 N ATOM 0 HA ASN A 29 32.289 -10.893 -29.539 1.00 0.00 H new ATOM 0 HB2 ASN A 29 32.655 -8.371 -30.658 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.752 -9.382 -31.577 1.00 0.00 H new ATOM 0 HD21 ASN A 29 29.678 -10.327 -31.700 1.00 0.00 H new ATOM 0 HD22 ASN A 29 30.376 -9.654 -30.223 1.00 0.00 H new ATOM 451 N ILE A 30 35.470 -10.869 -29.179 1.00 0.00 N ATOM 452 CA ILE A 30 36.619 -11.765 -29.278 1.00 0.00 C ATOM 453 C ILE A 30 37.077 -12.182 -27.867 1.00 0.00 C ATOM 454 O ILE A 30 37.736 -11.422 -27.156 1.00 0.00 O ATOM 455 CB ILE A 30 37.763 -11.197 -30.155 1.00 0.00 C ATOM 456 CG1 ILE A 30 38.234 -9.820 -29.639 1.00 0.00 C ATOM 457 CG2 ILE A 30 37.320 -11.074 -31.615 1.00 0.00 C ATOM 458 CD1 ILE A 30 39.176 -9.126 -30.630 1.00 0.00 C ATOM 0 H ILE A 30 35.585 -10.073 -28.551 1.00 0.00 H new ATOM 0 HA ILE A 30 36.304 -12.664 -29.807 1.00 0.00 H new ATOM 0 HB ILE A 30 38.597 -11.896 -30.093 1.00 0.00 H new ATOM 0 HG12 ILE A 30 37.367 -9.185 -29.458 1.00 0.00 H new ATOM 0 HG13 ILE A 30 38.742 -9.946 -28.683 1.00 0.00 H new ATOM 0 HG21 ILE A 30 38.140 -10.673 -32.211 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.042 -12.057 -31.995 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.463 -10.404 -31.680 1.00 0.00 H new ATOM 0 HD11 ILE A 30 39.482 -8.161 -30.226 1.00 0.00 H new ATOM 0 HD12 ILE A 30 40.057 -9.748 -30.791 1.00 0.00 H new ATOM 0 HD13 ILE A 30 38.660 -8.975 -31.578 1.00 0.00 H new ATOM 470 N ALA A 31 36.682 -13.380 -27.429 1.00 0.00 N ATOM 471 CA ALA A 31 37.041 -13.813 -26.063 1.00 0.00 C ATOM 472 C ALA A 31 38.374 -14.593 -26.018 1.00 0.00 C ATOM 473 O ALA A 31 38.496 -15.635 -26.660 1.00 0.00 O ATOM 474 CB ALA A 31 35.932 -14.651 -25.429 1.00 0.00 C ATOM 0 H ALA A 31 36.135 -14.049 -27.970 1.00 0.00 H new ATOM 0 HA ALA A 31 37.169 -12.898 -25.485 1.00 0.00 H new ATOM 0 HB1 ALA A 31 36.232 -14.951 -24.425 1.00 0.00 H new ATOM 0 HB2 ALA A 31 35.017 -14.061 -25.373 1.00 0.00 H new ATOM 0 HB3 ALA A 31 35.755 -15.539 -26.036 1.00 0.00 H new ATOM 480 N PRO A 32 39.353 -14.200 -25.187 1.00 0.00 N ATOM 481 CA PRO A 32 40.707 -14.763 -25.336 1.00 0.00 C ATOM 482 C PRO A 32 40.903 -16.068 -24.528 1.00 0.00 C ATOM 483 O PRO A 32 39.956 -16.674 -24.028 1.00 0.00 O ATOM 484 CB PRO A 32 41.621 -13.634 -24.831 1.00 0.00 C ATOM 485 CG PRO A 32 40.735 -12.645 -24.067 1.00 0.00 C ATOM 486 CD PRO A 32 39.306 -12.887 -24.542 1.00 0.00 C ATOM 0 HA PRO A 32 40.920 -15.057 -26.364 1.00 0.00 H new ATOM 0 HB2 PRO A 32 42.402 -14.032 -24.183 1.00 0.00 H new ATOM 0 HB3 PRO A 32 42.120 -13.140 -25.665 1.00 0.00 H new ATOM 0 HG2 PRO A 32 40.818 -12.801 -22.991 1.00 0.00 H new ATOM 0 HG3 PRO A 32 41.041 -11.618 -24.265 1.00 0.00 H new ATOM 0 HD2 PRO A 32 38.604 -12.879 -23.708 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.983 -12.114 -25.239 1.00 0.00 H new ATOM 494 N VAL A 33 42.157 -16.516 -24.429 1.00 0.00 N ATOM 495 CA VAL A 33 42.460 -17.710 -23.588 1.00 0.00 C ATOM 496 C VAL A 33 42.040 -17.544 -22.115 1.00 0.00 C ATOM 497 O VAL A 33 41.497 -18.462 -21.489 1.00 0.00 O ATOM 498 CB VAL A 33 43.945 -18.134 -23.600 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.179 -19.232 -24.638 1.00 0.00 C ATOM 500 CG2 VAL A 33 44.880 -16.949 -23.865 1.00 0.00 C ATOM 0 H VAL A 33 42.962 -16.099 -24.896 1.00 0.00 H new ATOM 0 HA VAL A 33 41.863 -18.489 -24.061 1.00 0.00 H new ATOM 0 HB VAL A 33 44.178 -18.521 -22.608 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.231 -19.519 -24.633 1.00 0.00 H new ATOM 0 HG12 VAL A 33 43.565 -20.099 -24.395 1.00 0.00 H new ATOM 0 HG13 VAL A 33 43.908 -18.862 -25.627 1.00 0.00 H new ATOM 0 HG21 VAL A 33 45.914 -17.294 -23.864 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.645 -16.509 -24.834 1.00 0.00 H new ATOM 0 HG23 VAL A 33 44.747 -16.199 -23.085 1.00 0.00 H new ATOM 510 N SER A 34 42.352 -16.388 -21.532 1.00 0.00 N ATOM 511 CA SER A 34 41.917 -16.141 -20.146 1.00 0.00 C ATOM 512 C SER A 34 40.411 -16.357 -19.955 1.00 0.00 C ATOM 513 O SER A 34 39.951 -16.838 -18.918 1.00 0.00 O ATOM 514 CB SER A 34 42.324 -14.757 -19.639 1.00 0.00 C ATOM 515 OG SER A 34 41.741 -13.747 -20.454 1.00 0.00 O ATOM 0 H SER A 34 42.881 -15.633 -21.969 1.00 0.00 H new ATOM 0 HA SER A 34 42.440 -16.883 -19.543 1.00 0.00 H new ATOM 0 HB2 SER A 34 42.003 -14.631 -18.605 1.00 0.00 H new ATOM 0 HB3 SER A 34 43.410 -14.662 -19.650 1.00 0.00 H new ATOM 0 HG SER A 34 42.006 -12.864 -20.121 1.00 0.00 H new ATOM 521 N ASP A 35 39.639 -15.997 -20.976 1.00 0.00 N ATOM 522 CA ASP A 35 38.221 -16.347 -20.971 1.00 0.00 C ATOM 523 C ASP A 35 37.995 -17.871 -20.889 1.00 0.00 C ATOM 524 O ASP A 35 37.184 -18.322 -20.093 1.00 0.00 O ATOM 525 CB ASP A 35 37.455 -15.678 -22.122 1.00 0.00 C ATOM 526 CG ASP A 35 37.055 -14.243 -21.786 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.844 -13.529 -21.128 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.954 -13.817 -22.197 1.00 0.00 O ATOM 0 H ASP A 35 39.957 -15.479 -21.795 1.00 0.00 H new ATOM 0 HA ASP A 35 37.795 -15.938 -20.055 1.00 0.00 H new ATOM 0 HB2 ASP A 35 38.074 -15.681 -23.019 1.00 0.00 H new ATOM 0 HB3 ASP A 35 36.562 -16.260 -22.349 1.00 0.00 H new ATOM 533 N THR A 36 38.740 -18.684 -21.650 1.00 0.00 N ATOM 534 CA THR A 36 38.654 -20.154 -21.458 1.00 0.00 C ATOM 535 C THR A 36 38.887 -20.564 -19.984 1.00 0.00 C ATOM 536 O THR A 36 38.260 -21.497 -19.476 1.00 0.00 O ATOM 537 CB THR A 36 39.551 -20.957 -22.441 1.00 0.00 C ATOM 538 OG1 THR A 36 39.209 -20.618 -23.779 1.00 0.00 O ATOM 539 CG2 THR A 36 39.397 -22.483 -22.289 1.00 0.00 C ATOM 0 H THR A 36 39.386 -18.375 -22.377 1.00 0.00 H new ATOM 0 HA THR A 36 37.628 -20.426 -21.707 1.00 0.00 H new ATOM 0 HB THR A 36 40.582 -20.693 -22.205 1.00 0.00 H new ATOM 0 HG1 THR A 36 39.378 -21.386 -24.364 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.049 -22.987 -23.002 1.00 0.00 H new ATOM 0 HG22 THR A 36 39.671 -22.777 -21.276 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.362 -22.765 -22.481 1.00 0.00 H new ATOM 547 N MET A 37 39.751 -19.832 -19.274 1.00 0.00 N ATOM 548 CA MET A 37 39.951 -20.138 -17.845 1.00 0.00 C ATOM 549 C MET A 37 38.718 -19.806 -16.992 1.00 0.00 C ATOM 550 O MET A 37 38.139 -20.676 -16.331 1.00 0.00 O ATOM 551 CB MET A 37 41.189 -19.451 -17.236 1.00 0.00 C ATOM 552 CG MET A 37 42.452 -19.603 -18.087 1.00 0.00 C ATOM 553 SD MET A 37 42.803 -21.349 -18.352 1.00 0.00 S ATOM 554 CE MET A 37 42.362 -21.477 -20.091 1.00 0.00 C ATOM 0 H MET A 37 40.303 -19.056 -19.639 1.00 0.00 H new ATOM 0 HA MET A 37 40.119 -21.215 -17.822 1.00 0.00 H new ATOM 0 HB2 MET A 37 40.977 -18.390 -17.101 1.00 0.00 H new ATOM 0 HB3 MET A 37 41.375 -19.867 -16.246 1.00 0.00 H new ATOM 0 HG2 MET A 37 42.319 -19.100 -19.045 1.00 0.00 H new ATOM 0 HG3 MET A 37 43.296 -19.124 -17.590 1.00 0.00 H new ATOM 0 HE1 MET A 37 41.547 -22.191 -20.208 1.00 0.00 H new ATOM 0 HE2 MET A 37 42.045 -20.501 -20.459 1.00 0.00 H new ATOM 0 HE3 MET A 37 43.226 -21.816 -20.662 1.00 0.00 H new ATOM 564 N ASP A 38 38.326 -18.531 -16.976 1.00 0.00 N ATOM 565 CA ASP A 38 37.076 -18.170 -16.280 1.00 0.00 C ATOM 566 C ASP A 38 35.872 -18.988 -16.762 1.00 0.00 C ATOM 567 O ASP A 38 34.952 -19.299 -16.004 1.00 0.00 O ATOM 568 CB ASP A 38 36.714 -16.692 -16.400 1.00 0.00 C ATOM 569 CG ASP A 38 37.709 -15.782 -15.693 1.00 0.00 C ATOM 570 OD1 ASP A 38 38.853 -15.638 -16.177 1.00 0.00 O ATOM 571 OD2 ASP A 38 37.343 -15.195 -14.651 1.00 0.00 O ATOM 0 H ASP A 38 38.825 -17.757 -17.414 1.00 0.00 H new ATOM 0 HA ASP A 38 37.288 -18.400 -15.236 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.664 -16.419 -17.454 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.720 -16.531 -15.982 1.00 0.00 H new ATOM 576 N MET A 39 35.880 -19.320 -18.044 1.00 0.00 N ATOM 577 CA MET A 39 34.804 -20.118 -18.609 1.00 0.00 C ATOM 578 C MET A 39 34.655 -21.490 -17.963 1.00 0.00 C ATOM 579 O MET A 39 33.580 -21.857 -17.489 1.00 0.00 O ATOM 580 CB MET A 39 34.984 -20.315 -20.114 1.00 0.00 C ATOM 581 CG MET A 39 34.683 -19.051 -20.935 1.00 0.00 C ATOM 582 SD MET A 39 35.691 -19.042 -22.433 1.00 0.00 S ATOM 583 CE MET A 39 34.687 -17.967 -23.478 1.00 0.00 C ATOM 0 H MET A 39 36.610 -19.053 -18.705 1.00 0.00 H new ATOM 0 HA MET A 39 33.899 -19.546 -18.404 1.00 0.00 H new ATOM 0 HB2 MET A 39 36.008 -20.632 -20.312 1.00 0.00 H new ATOM 0 HB3 MET A 39 34.330 -21.121 -20.448 1.00 0.00 H new ATOM 0 HG2 MET A 39 33.625 -19.019 -21.197 1.00 0.00 H new ATOM 0 HG3 MET A 39 34.891 -18.162 -20.340 1.00 0.00 H new ATOM 0 HE1 MET A 39 34.605 -18.402 -24.474 1.00 0.00 H new ATOM 0 HE2 MET A 39 33.692 -17.863 -23.044 1.00 0.00 H new ATOM 0 HE3 MET A 39 35.156 -16.986 -23.548 1.00 0.00 H new ATOM 593 N LEU A 40 35.725 -22.277 -17.953 1.00 0.00 N ATOM 594 CA LEU A 40 35.611 -23.612 -17.354 1.00 0.00 C ATOM 595 C LEU A 40 35.508 -23.582 -15.826 1.00 0.00 C ATOM 596 O LEU A 40 34.996 -24.515 -15.207 1.00 0.00 O ATOM 597 CB LEU A 40 36.680 -24.579 -17.881 1.00 0.00 C ATOM 598 CG LEU A 40 36.739 -24.588 -19.421 1.00 0.00 C ATOM 599 CD1 LEU A 40 37.792 -25.587 -19.886 1.00 0.00 C ATOM 600 CD2 LEU A 40 35.383 -24.956 -20.029 1.00 0.00 C ATOM 0 H LEU A 40 36.641 -22.036 -18.331 1.00 0.00 H new ATOM 0 HA LEU A 40 34.655 -24.016 -17.687 1.00 0.00 H new ATOM 0 HB2 LEU A 40 37.654 -24.296 -17.482 1.00 0.00 H new ATOM 0 HB3 LEU A 40 36.468 -25.586 -17.520 1.00 0.00 H new ATOM 0 HG LEU A 40 37.002 -23.585 -19.756 1.00 0.00 H new ATOM 0 HD11 LEU A 40 37.833 -25.592 -20.975 1.00 0.00 H new ATOM 0 HD12 LEU A 40 38.766 -25.301 -19.488 1.00 0.00 H new ATOM 0 HD13 LEU A 40 37.532 -26.583 -19.528 1.00 0.00 H new ATOM 0 HD21 LEU A 40 35.459 -24.953 -21.116 1.00 0.00 H new ATOM 0 HD22 LEU A 40 35.089 -25.949 -19.688 1.00 0.00 H new ATOM 0 HD23 LEU A 40 34.634 -24.228 -19.716 1.00 0.00 H new ATOM 612 N THR A 41 35.951 -22.493 -15.205 1.00 0.00 N ATOM 613 CA THR A 41 35.693 -22.339 -13.768 1.00 0.00 C ATOM 614 C THR A 41 34.224 -21.978 -13.480 1.00 0.00 C ATOM 615 O THR A 41 33.625 -22.467 -12.521 1.00 0.00 O ATOM 616 CB THR A 41 36.627 -21.318 -13.096 1.00 0.00 C ATOM 617 OG1 THR A 41 37.951 -21.474 -13.599 1.00 0.00 O ATOM 618 CG2 THR A 41 36.651 -21.509 -11.578 1.00 0.00 C ATOM 0 H THR A 41 36.468 -21.732 -15.645 1.00 0.00 H new ATOM 0 HA THR A 41 35.904 -23.315 -13.331 1.00 0.00 H new ATOM 0 HB THR A 41 36.252 -20.320 -13.321 1.00 0.00 H new ATOM 0 HG1 THR A 41 37.994 -21.134 -14.517 1.00 0.00 H new ATOM 0 HG21 THR A 41 37.319 -20.774 -11.129 1.00 0.00 H new ATOM 0 HG22 THR A 41 35.645 -21.377 -11.179 1.00 0.00 H new ATOM 0 HG23 THR A 41 37.006 -22.513 -11.343 1.00 0.00 H new ATOM 626 N LYS A 42 33.630 -21.132 -14.324 1.00 0.00 N ATOM 627 CA LYS A 42 32.244 -20.713 -14.064 1.00 0.00 C ATOM 628 C LYS A 42 31.175 -21.608 -14.701 1.00 0.00 C ATOM 629 O LYS A 42 30.084 -21.766 -14.151 1.00 0.00 O ATOM 630 CB LYS A 42 32.024 -19.229 -14.390 1.00 0.00 C ATOM 631 CG LYS A 42 32.431 -18.345 -13.203 1.00 0.00 C ATOM 632 CD LYS A 42 33.512 -17.326 -13.580 1.00 0.00 C ATOM 633 CE LYS A 42 32.941 -16.184 -14.424 1.00 0.00 C ATOM 634 NZ LYS A 42 33.931 -15.094 -14.516 1.00 0.00 N ATOM 0 H LYS A 42 34.060 -20.736 -15.159 1.00 0.00 H new ATOM 0 HA LYS A 42 32.109 -20.844 -12.990 1.00 0.00 H new ATOM 0 HB2 LYS A 42 32.606 -18.955 -15.270 1.00 0.00 H new ATOM 0 HB3 LYS A 42 30.976 -19.057 -14.635 1.00 0.00 H new ATOM 0 HG2 LYS A 42 31.554 -17.818 -12.827 1.00 0.00 H new ATOM 0 HG3 LYS A 42 32.796 -18.975 -12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 42 33.962 -16.920 -12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 42 34.307 -17.826 -14.134 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.690 -16.546 -15.421 1.00 0.00 H new ATOM 0 HE3 LYS A 42 32.018 -15.814 -13.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 33.494 -14.202 -14.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 34.744 -15.311 -13.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 34.254 -15.000 -15.500 1.00 0.00 H new ATOM 648 N LEU A 43 31.450 -22.174 -15.875 1.00 0.00 N ATOM 649 CA LEU A 43 30.538 -23.201 -16.404 1.00 0.00 C ATOM 650 C LEU A 43 30.316 -24.339 -15.397 1.00 0.00 C ATOM 651 O LEU A 43 29.209 -24.858 -15.245 1.00 0.00 O ATOM 652 CB LEU A 43 31.025 -23.841 -17.717 1.00 0.00 C ATOM 653 CG LEU A 43 30.739 -23.003 -18.973 1.00 0.00 C ATOM 654 CD1 LEU A 43 31.395 -23.683 -20.168 1.00 0.00 C ATOM 655 CD2 LEU A 43 29.241 -22.896 -19.258 1.00 0.00 C ATOM 0 H LEU A 43 32.257 -21.957 -16.460 1.00 0.00 H new ATOM 0 HA LEU A 43 29.610 -22.663 -16.595 1.00 0.00 H new ATOM 0 HB2 LEU A 43 32.099 -24.014 -17.647 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.552 -24.816 -17.830 1.00 0.00 H new ATOM 0 HG LEU A 43 31.134 -22.001 -18.806 1.00 0.00 H new ATOM 0 HD11 LEU A 43 31.202 -23.101 -21.069 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.470 -23.750 -20.003 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.983 -24.685 -20.288 1.00 0.00 H new ATOM 0 HD21 LEU A 43 29.083 -22.296 -20.154 1.00 0.00 H new ATOM 0 HD22 LEU A 43 28.828 -23.893 -19.412 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.743 -22.423 -18.412 1.00 0.00 H new ATOM 667 N GLY A 44 31.383 -24.730 -14.701 1.00 0.00 N ATOM 668 CA GLY A 44 31.263 -25.861 -13.771 1.00 0.00 C ATOM 669 C GLY A 44 31.212 -27.175 -14.550 1.00 0.00 C ATOM 670 O GLY A 44 30.305 -27.990 -14.383 1.00 0.00 O ATOM 0 H GLY A 44 32.308 -24.303 -14.755 1.00 0.00 H new ATOM 0 HA2 GLY A 44 32.109 -25.869 -13.084 1.00 0.00 H new ATOM 0 HA3 GLY A 44 30.362 -25.752 -13.167 1.00 0.00 H new ATOM 674 N GLN A 45 32.209 -27.385 -15.398 1.00 0.00 N ATOM 675 CA GLN A 45 32.171 -28.567 -16.267 1.00 0.00 C ATOM 676 C GLN A 45 33.574 -29.122 -16.535 1.00 0.00 C ATOM 677 O GLN A 45 33.976 -30.137 -15.967 1.00 0.00 O ATOM 678 CB GLN A 45 31.393 -28.287 -17.566 1.00 0.00 C ATOM 679 CG GLN A 45 31.238 -29.539 -18.444 1.00 0.00 C ATOM 680 CD GLN A 45 31.475 -29.201 -19.911 1.00 0.00 C ATOM 681 OE1 GLN A 45 32.593 -28.913 -20.334 1.00 0.00 O ATOM 682 NE2 GLN A 45 30.421 -29.215 -20.704 1.00 0.00 N ATOM 0 H GLN A 45 33.026 -26.784 -15.507 1.00 0.00 H new ATOM 0 HA GLN A 45 31.627 -29.347 -15.735 1.00 0.00 H new ATOM 0 HB2 GLN A 45 30.406 -27.898 -17.317 1.00 0.00 H new ATOM 0 HB3 GLN A 45 31.908 -27.511 -18.133 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.945 -30.304 -18.123 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.239 -29.956 -18.319 1.00 0.00 H new ATOM 0 HE21 GLN A 45 29.504 -29.457 -20.329 1.00 0.00 H new ATOM 0 HE22 GLN A 45 30.523 -28.984 -21.692 1.00 0.00 H new ATOM 691 N THR A 46 34.339 -28.436 -17.389 1.00 0.00 N ATOM 692 CA THR A 46 35.683 -28.932 -17.734 1.00 0.00 C ATOM 693 C THR A 46 35.637 -30.365 -18.335 1.00 0.00 C ATOM 694 O THR A 46 34.559 -30.901 -18.600 1.00 0.00 O ATOM 695 CB THR A 46 36.761 -28.686 -16.637 1.00 0.00 C ATOM 696 OG1 THR A 46 37.371 -29.911 -16.258 1.00 0.00 O ATOM 697 CG2 THR A 46 36.214 -28.013 -15.372 1.00 0.00 C ATOM 0 H THR A 46 34.067 -27.564 -17.843 1.00 0.00 H new ATOM 0 HA THR A 46 36.050 -28.304 -18.546 1.00 0.00 H new ATOM 0 HB THR A 46 37.484 -28.007 -17.089 1.00 0.00 H new ATOM 0 HG1 THR A 46 38.047 -29.740 -15.569 1.00 0.00 H new ATOM 0 HG21 THR A 46 37.023 -27.875 -14.655 1.00 0.00 H new ATOM 0 HG22 THR A 46 35.789 -27.043 -15.631 1.00 0.00 H new ATOM 0 HG23 THR A 46 35.441 -28.642 -14.930 1.00 0.00 H new ATOM 705 N TYR A 47 36.788 -30.985 -18.608 1.00 0.00 N ATOM 706 CA TYR A 47 36.730 -32.311 -19.231 1.00 0.00 C ATOM 707 C TYR A 47 37.516 -33.360 -18.425 1.00 0.00 C ATOM 708 O TYR A 47 37.061 -33.804 -17.370 1.00 0.00 O ATOM 709 CB TYR A 47 37.106 -32.266 -20.718 1.00 0.00 C ATOM 710 CG TYR A 47 35.913 -31.998 -21.622 1.00 0.00 C ATOM 711 CD1 TYR A 47 34.982 -32.963 -21.816 1.00 0.00 C ATOM 712 CD2 TYR A 47 35.666 -30.741 -22.067 1.00 0.00 C ATOM 713 CE1 TYR A 47 33.699 -32.602 -22.077 1.00 0.00 C ATOM 714 CE2 TYR A 47 34.389 -30.373 -22.357 1.00 0.00 C ATOM 715 CZ TYR A 47 33.402 -31.305 -22.338 1.00 0.00 C ATOM 716 OH TYR A 47 32.122 -30.957 -22.679 1.00 0.00 O ATOM 0 H TYR A 47 37.721 -30.618 -18.421 1.00 0.00 H new ATOM 0 HA TYR A 47 35.691 -32.640 -19.204 1.00 0.00 H new ATOM 0 HB2 TYR A 47 37.856 -31.490 -20.875 1.00 0.00 H new ATOM 0 HB3 TYR A 47 37.564 -33.214 -21.001 1.00 0.00 H new ATOM 0 HD1 TYR A 47 35.257 -34.006 -21.764 1.00 0.00 H new ATOM 0 HD2 TYR A 47 36.477 -30.038 -22.190 1.00 0.00 H new ATOM 0 HE1 TYR A 47 32.917 -33.347 -22.077 1.00 0.00 H new ATOM 0 HE2 TYR A 47 34.162 -29.346 -22.601 1.00 0.00 H new ATOM 0 HH TYR A 47 31.510 -31.683 -22.436 1.00 0.00 H new ATOM 726 N THR A 48 38.699 -33.763 -18.896 1.00 0.00 N ATOM 727 CA THR A 48 39.448 -34.782 -18.144 1.00 0.00 C ATOM 728 C THR A 48 40.632 -34.176 -17.375 1.00 0.00 C ATOM 729 O THR A 48 40.492 -33.761 -16.224 1.00 0.00 O ATOM 730 CB THR A 48 39.860 -35.980 -19.022 1.00 0.00 C ATOM 731 OG1 THR A 48 38.738 -36.430 -19.768 1.00 0.00 O ATOM 732 CG2 THR A 48 40.371 -37.140 -18.165 1.00 0.00 C ATOM 0 H THR A 48 39.144 -33.423 -19.749 1.00 0.00 H new ATOM 0 HA THR A 48 38.765 -35.182 -17.395 1.00 0.00 H new ATOM 0 HB THR A 48 40.657 -35.652 -19.689 1.00 0.00 H new ATOM 0 HG1 THR A 48 39.001 -37.191 -20.327 1.00 0.00 H new ATOM 0 HG21 THR A 48 40.655 -37.972 -18.810 1.00 0.00 H new ATOM 0 HG22 THR A 48 41.238 -36.814 -17.591 1.00 0.00 H new ATOM 0 HG23 THR A 48 39.585 -37.462 -17.482 1.00 0.00 H new ATOM 740 N LYS A 49 41.808 -34.117 -17.999 1.00 0.00 N ATOM 741 CA LYS A 49 42.971 -33.587 -17.272 1.00 0.00 C ATOM 742 C LYS A 49 44.055 -33.038 -18.208 1.00 0.00 C ATOM 743 O LYS A 49 44.288 -31.831 -18.265 1.00 0.00 O ATOM 744 CB LYS A 49 43.547 -34.605 -16.266 1.00 0.00 C ATOM 745 CG LYS A 49 44.553 -33.968 -15.297 1.00 0.00 C ATOM 746 CD LYS A 49 43.855 -33.035 -14.301 1.00 0.00 C ATOM 747 CE LYS A 49 44.222 -31.576 -14.579 1.00 0.00 C ATOM 748 NZ LYS A 49 43.379 -30.682 -13.766 1.00 0.00 N ATOM 0 H LYS A 49 41.983 -34.413 -18.959 1.00 0.00 H new ATOM 0 HA LYS A 49 42.601 -32.740 -16.693 1.00 0.00 H new ATOM 0 HB2 LYS A 49 42.731 -35.050 -15.697 1.00 0.00 H new ATOM 0 HB3 LYS A 49 44.034 -35.414 -16.811 1.00 0.00 H new ATOM 0 HG2 LYS A 49 45.084 -34.750 -14.755 1.00 0.00 H new ATOM 0 HG3 LYS A 49 45.299 -33.408 -15.861 1.00 0.00 H new ATOM 0 HD2 LYS A 49 42.775 -33.163 -14.371 1.00 0.00 H new ATOM 0 HD3 LYS A 49 44.143 -33.300 -13.284 1.00 0.00 H new ATOM 0 HE2 LYS A 49 45.274 -31.407 -14.349 1.00 0.00 H new ATOM 0 HE3 LYS A 49 44.087 -31.354 -15.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 43.634 -29.693 -13.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 42.379 -30.835 -14.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 43.528 -30.886 -12.757 1.00 0.00 H new ATOM 762 N ARG A 50 44.734 -33.919 -18.938 1.00 0.00 N ATOM 763 CA ARG A 50 45.837 -33.447 -19.795 1.00 0.00 C ATOM 764 C ARG A 50 45.408 -33.107 -21.235 1.00 0.00 C ATOM 765 O ARG A 50 45.860 -32.129 -21.834 1.00 0.00 O ATOM 766 CB ARG A 50 47.005 -34.446 -19.800 1.00 0.00 C ATOM 767 CG ARG A 50 48.359 -33.748 -20.005 1.00 0.00 C ATOM 768 CD ARG A 50 49.184 -33.722 -18.713 1.00 0.00 C ATOM 769 NE ARG A 50 48.653 -32.706 -17.790 1.00 0.00 N ATOM 770 CZ ARG A 50 49.402 -32.287 -16.776 1.00 0.00 C ATOM 771 NH1 ARG A 50 50.380 -33.039 -16.302 1.00 0.00 N ATOM 772 NH2 ARG A 50 49.152 -31.117 -16.227 1.00 0.00 N ATOM 0 H ARG A 50 44.557 -34.923 -18.961 1.00 0.00 H new ATOM 0 HA ARG A 50 46.170 -32.510 -19.349 1.00 0.00 H new ATOM 0 HB2 ARG A 50 47.018 -34.993 -18.857 1.00 0.00 H new ATOM 0 HB3 ARG A 50 46.852 -35.179 -20.592 1.00 0.00 H new ATOM 0 HG2 ARG A 50 48.920 -34.263 -20.785 1.00 0.00 H new ATOM 0 HG3 ARG A 50 48.194 -32.728 -20.352 1.00 0.00 H new ATOM 0 HD2 ARG A 50 49.160 -34.703 -18.238 1.00 0.00 H new ATOM 0 HD3 ARG A 50 50.227 -33.505 -18.943 1.00 0.00 H new ATOM 0 HE ARG A 50 47.716 -32.326 -17.928 1.00 0.00 H new ATOM 0 HH11 ARG A 50 50.567 -33.953 -16.715 1.00 0.00 H new ATOM 0 HH12 ARG A 50 50.948 -32.706 -15.523 1.00 0.00 H new ATOM 0 HH21 ARG A 50 48.388 -30.540 -16.581 1.00 0.00 H new ATOM 0 HH22 ARG A 50 49.722 -30.787 -15.448 1.00 0.00 H new ATOM 786 N GLU A 51 44.545 -33.938 -21.802 1.00 0.00 N ATOM 787 CA GLU A 51 44.085 -33.705 -23.180 1.00 0.00 C ATOM 788 C GLU A 51 43.253 -32.416 -23.319 1.00 0.00 C ATOM 789 O GLU A 51 43.496 -31.550 -24.166 1.00 0.00 O ATOM 790 CB GLU A 51 43.291 -34.901 -23.746 1.00 0.00 C ATOM 791 CG GLU A 51 43.574 -36.234 -23.030 1.00 0.00 C ATOM 792 CD GLU A 51 42.739 -36.371 -21.760 1.00 0.00 C ATOM 793 OE1 GLU A 51 41.543 -36.719 -21.860 1.00 0.00 O ATOM 794 OE2 GLU A 51 43.273 -36.120 -20.657 1.00 0.00 O ATOM 0 H GLU A 51 44.152 -34.763 -21.349 1.00 0.00 H new ATOM 0 HA GLU A 51 44.995 -33.586 -23.768 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.225 -34.682 -23.677 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.526 -35.012 -24.805 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.356 -37.064 -23.702 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.633 -36.297 -22.780 1.00 0.00 H new ATOM 801 N THR A 52 42.247 -32.282 -22.468 1.00 0.00 N ATOM 802 CA THR A 52 41.504 -31.028 -22.482 1.00 0.00 C ATOM 803 C THR A 52 42.345 -29.845 -21.946 1.00 0.00 C ATOM 804 O THR A 52 42.038 -28.679 -22.176 1.00 0.00 O ATOM 805 CB THR A 52 40.159 -31.122 -21.773 1.00 0.00 C ATOM 806 OG1 THR A 52 39.697 -32.467 -21.817 1.00 0.00 O ATOM 807 CG2 THR A 52 39.134 -30.239 -22.472 1.00 0.00 C ATOM 0 H THR A 52 41.937 -32.982 -21.794 1.00 0.00 H new ATOM 0 HA THR A 52 41.286 -30.827 -23.531 1.00 0.00 H new ATOM 0 HB THR A 52 40.283 -30.794 -20.741 1.00 0.00 H new ATOM 0 HG1 THR A 52 39.044 -32.565 -22.541 1.00 0.00 H new ATOM 0 HG21 THR A 52 38.177 -30.314 -21.956 1.00 0.00 H new ATOM 0 HG22 THR A 52 39.474 -29.204 -22.456 1.00 0.00 H new ATOM 0 HG23 THR A 52 39.016 -30.566 -23.505 1.00 0.00 H new ATOM 815 N GLU A 53 43.401 -30.141 -21.188 1.00 0.00 N ATOM 816 CA GLU A 53 44.427 -29.107 -20.946 1.00 0.00 C ATOM 817 C GLU A 53 44.990 -28.589 -22.284 1.00 0.00 C ATOM 818 O GLU A 53 45.256 -27.400 -22.459 1.00 0.00 O ATOM 819 CB GLU A 53 45.581 -29.588 -20.053 1.00 0.00 C ATOM 820 CG GLU A 53 45.552 -28.939 -18.663 1.00 0.00 C ATOM 821 CD GLU A 53 46.803 -29.295 -17.875 1.00 0.00 C ATOM 822 OE1 GLU A 53 47.823 -28.585 -18.012 1.00 0.00 O ATOM 823 OE2 GLU A 53 46.778 -30.292 -17.122 1.00 0.00 O ATOM 0 H GLU A 53 43.573 -31.044 -20.745 1.00 0.00 H new ATOM 0 HA GLU A 53 43.926 -28.301 -20.410 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.528 -30.671 -19.947 1.00 0.00 H new ATOM 0 HB3 GLU A 53 46.531 -29.362 -20.537 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.476 -27.856 -18.764 1.00 0.00 H new ATOM 0 HG3 GLU A 53 44.668 -29.272 -18.120 1.00 0.00 H new ATOM 830 N ALA A 54 45.190 -29.513 -23.227 1.00 0.00 N ATOM 831 CA ALA A 54 45.454 -29.108 -24.617 1.00 0.00 C ATOM 832 C ALA A 54 44.406 -28.127 -25.147 1.00 0.00 C ATOM 833 O ALA A 54 44.740 -27.114 -25.763 1.00 0.00 O ATOM 834 CB ALA A 54 45.537 -30.301 -25.576 1.00 0.00 C ATOM 0 H ALA A 54 45.176 -30.520 -23.065 1.00 0.00 H new ATOM 0 HA ALA A 54 46.425 -28.614 -24.584 1.00 0.00 H new ATOM 0 HB1 ALA A 54 45.733 -29.943 -26.587 1.00 0.00 H new ATOM 0 HB2 ALA A 54 46.344 -30.964 -25.263 1.00 0.00 H new ATOM 0 HB3 ALA A 54 44.593 -30.846 -25.561 1.00 0.00 H new ATOM 840 N ILE A 55 43.124 -28.433 -24.918 1.00 0.00 N ATOM 841 CA ILE A 55 42.072 -27.417 -25.234 1.00 0.00 C ATOM 842 C ILE A 55 42.474 -26.035 -24.680 1.00 0.00 C ATOM 843 O ILE A 55 42.609 -25.040 -25.397 1.00 0.00 O ATOM 844 CB ILE A 55 40.635 -27.659 -24.652 1.00 0.00 C ATOM 845 CG1 ILE A 55 39.856 -28.756 -25.349 1.00 0.00 C ATOM 846 CG2 ILE A 55 39.822 -26.381 -24.710 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.396 -28.894 -24.916 1.00 0.00 C ATOM 0 H ILE A 55 42.786 -29.317 -24.538 1.00 0.00 H new ATOM 0 HA ILE A 55 42.017 -27.490 -26.320 1.00 0.00 H new ATOM 0 HB ILE A 55 40.794 -27.983 -23.623 1.00 0.00 H new ATOM 0 HG12 ILE A 55 39.884 -28.573 -26.423 1.00 0.00 H new ATOM 0 HG13 ILE A 55 40.361 -29.706 -25.174 1.00 0.00 H new ATOM 0 HG21 ILE A 55 38.827 -26.564 -24.303 1.00 0.00 H new ATOM 0 HG22 ILE A 55 40.318 -25.608 -24.123 1.00 0.00 H new ATOM 0 HG23 ILE A 55 39.735 -26.052 -25.745 1.00 0.00 H new ATOM 0 HD11 ILE A 55 37.927 -29.705 -25.472 1.00 0.00 H new ATOM 0 HD12 ILE A 55 38.352 -29.113 -23.849 1.00 0.00 H new ATOM 0 HD13 ILE A 55 37.867 -27.962 -25.118 1.00 0.00 H new ATOM 859 N MET A 56 42.599 -26.009 -23.358 1.00 0.00 N ATOM 860 CA MET A 56 42.807 -24.746 -22.641 1.00 0.00 C ATOM 861 C MET A 56 44.019 -23.935 -23.104 1.00 0.00 C ATOM 862 O MET A 56 44.045 -22.705 -23.025 1.00 0.00 O ATOM 863 CB MET A 56 42.858 -25.055 -21.140 1.00 0.00 C ATOM 864 CG MET A 56 41.517 -25.640 -20.676 1.00 0.00 C ATOM 865 SD MET A 56 41.769 -27.103 -19.646 1.00 0.00 S ATOM 866 CE MET A 56 40.181 -27.945 -19.899 1.00 0.00 C ATOM 0 H MET A 56 42.561 -26.836 -22.762 1.00 0.00 H new ATOM 0 HA MET A 56 41.966 -24.091 -22.872 1.00 0.00 H new ATOM 0 HB2 MET A 56 43.662 -25.761 -20.933 1.00 0.00 H new ATOM 0 HB3 MET A 56 43.080 -24.146 -20.581 1.00 0.00 H new ATOM 0 HG2 MET A 56 40.963 -24.887 -20.115 1.00 0.00 H new ATOM 0 HG3 MET A 56 40.911 -25.902 -21.543 1.00 0.00 H new ATOM 0 HE1 MET A 56 40.338 -29.024 -19.904 1.00 0.00 H new ATOM 0 HE2 MET A 56 39.497 -27.682 -19.092 1.00 0.00 H new ATOM 0 HE3 MET A 56 39.753 -27.636 -20.853 1.00 0.00 H new ATOM 876 N LYS A 57 45.016 -24.634 -23.613 1.00 0.00 N ATOM 877 CA LYS A 57 46.206 -23.940 -24.118 1.00 0.00 C ATOM 878 C LYS A 57 46.097 -23.500 -25.592 1.00 0.00 C ATOM 879 O LYS A 57 46.669 -22.487 -25.994 1.00 0.00 O ATOM 880 CB LYS A 57 47.477 -24.767 -23.895 1.00 0.00 C ATOM 881 CG LYS A 57 47.770 -24.939 -22.399 1.00 0.00 C ATOM 882 CD LYS A 57 49.025 -25.792 -22.186 1.00 0.00 C ATOM 883 CE LYS A 57 49.182 -26.193 -20.717 1.00 0.00 C ATOM 884 NZ LYS A 57 48.265 -27.304 -20.400 1.00 0.00 N ATOM 0 H LYS A 57 45.037 -25.651 -23.691 1.00 0.00 H new ATOM 0 HA LYS A 57 46.272 -23.024 -23.531 1.00 0.00 H new ATOM 0 HB2 LYS A 57 47.364 -25.746 -24.361 1.00 0.00 H new ATOM 0 HB3 LYS A 57 48.322 -24.278 -24.380 1.00 0.00 H new ATOM 0 HG2 LYS A 57 47.906 -23.962 -21.936 1.00 0.00 H new ATOM 0 HG3 LYS A 57 46.918 -25.409 -21.908 1.00 0.00 H new ATOM 0 HD2 LYS A 57 48.968 -26.687 -22.805 1.00 0.00 H new ATOM 0 HD3 LYS A 57 49.905 -25.236 -22.509 1.00 0.00 H new ATOM 0 HE2 LYS A 57 50.212 -26.492 -20.521 1.00 0.00 H new ATOM 0 HE3 LYS A 57 48.970 -25.339 -20.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 48.388 -27.583 -19.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 47.283 -26.998 -20.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 48.476 -28.115 -21.016 1.00 0.00 H new ATOM 898 N GLU A 58 45.352 -24.248 -26.407 1.00 0.00 N ATOM 899 CA GLU A 58 45.286 -23.915 -27.846 1.00 0.00 C ATOM 900 C GLU A 58 44.150 -22.943 -28.252 1.00 0.00 C ATOM 901 O GLU A 58 44.137 -22.416 -29.364 1.00 0.00 O ATOM 902 CB GLU A 58 45.253 -25.187 -28.711 1.00 0.00 C ATOM 903 CG GLU A 58 43.890 -25.889 -28.646 1.00 0.00 C ATOM 904 CD GLU A 58 43.919 -27.247 -29.331 1.00 0.00 C ATOM 905 OE1 GLU A 58 44.171 -27.299 -30.554 1.00 0.00 O ATOM 906 OE2 GLU A 58 43.678 -28.269 -28.652 1.00 0.00 O ATOM 0 H GLU A 58 44.803 -25.058 -26.120 1.00 0.00 H new ATOM 0 HA GLU A 58 46.207 -23.365 -28.039 1.00 0.00 H new ATOM 0 HB2 GLU A 58 45.479 -24.928 -29.745 1.00 0.00 H new ATOM 0 HB3 GLU A 58 46.031 -25.873 -28.377 1.00 0.00 H new ATOM 0 HG2 GLU A 58 43.595 -26.014 -27.604 1.00 0.00 H new ATOM 0 HG3 GLU A 58 43.135 -25.260 -29.118 1.00 0.00 H new ATOM 913 N ALA A 59 43.182 -22.729 -27.360 1.00 0.00 N ATOM 914 CA ALA A 59 42.045 -21.864 -27.708 1.00 0.00 C ATOM 915 C ALA A 59 42.353 -20.458 -28.246 1.00 0.00 C ATOM 916 O ALA A 59 41.490 -19.845 -28.872 1.00 0.00 O ATOM 917 CB ALA A 59 41.094 -21.755 -26.514 1.00 0.00 C ATOM 0 H ALA A 59 43.156 -23.126 -26.421 1.00 0.00 H new ATOM 0 HA ALA A 59 41.595 -22.373 -28.560 1.00 0.00 H new ATOM 0 HB1 ALA A 59 40.253 -21.113 -26.776 1.00 0.00 H new ATOM 0 HB2 ALA A 59 40.726 -22.746 -26.251 1.00 0.00 H new ATOM 0 HB3 ALA A 59 41.625 -21.328 -25.664 1.00 0.00 H new ATOM 923 N ARG A 60 43.547 -19.906 -28.026 1.00 0.00 N ATOM 924 CA ARG A 60 43.788 -18.550 -28.570 1.00 0.00 C ATOM 925 C ARG A 60 43.910 -18.431 -30.113 1.00 0.00 C ATOM 926 O ARG A 60 44.342 -17.389 -30.609 1.00 0.00 O ATOM 927 CB ARG A 60 44.991 -17.915 -27.858 1.00 0.00 C ATOM 928 CG ARG A 60 44.837 -16.393 -27.738 1.00 0.00 C ATOM 929 CD ARG A 60 46.037 -15.766 -27.024 1.00 0.00 C ATOM 930 NE ARG A 60 45.658 -14.431 -26.534 1.00 0.00 N ATOM 931 CZ ARG A 60 46.592 -13.618 -26.054 1.00 0.00 C ATOM 932 NH1 ARG A 60 47.727 -14.096 -25.576 1.00 0.00 N ATOM 933 NH2 ARG A 60 46.375 -12.321 -26.036 1.00 0.00 N ATOM 0 H ARG A 60 44.319 -20.332 -27.514 1.00 0.00 H new ATOM 0 HA ARG A 60 42.875 -17.994 -28.357 1.00 0.00 H new ATOM 0 HB2 ARG A 60 45.098 -18.350 -26.864 1.00 0.00 H new ATOM 0 HB3 ARG A 60 45.904 -18.147 -28.407 1.00 0.00 H new ATOM 0 HG2 ARG A 60 44.734 -15.957 -28.731 1.00 0.00 H new ATOM 0 HG3 ARG A 60 43.923 -16.160 -27.191 1.00 0.00 H new ATOM 0 HD2 ARG A 60 46.352 -16.397 -26.193 1.00 0.00 H new ATOM 0 HD3 ARG A 60 46.884 -15.690 -27.706 1.00 0.00 H new ATOM 0 HE ARG A 60 44.683 -14.132 -26.563 1.00 0.00 H new ATOM 0 HH11 ARG A 60 47.895 -15.102 -25.572 1.00 0.00 H new ATOM 0 HH12 ARG A 60 48.435 -13.459 -25.211 1.00 0.00 H new ATOM 0 HH21 ARG A 60 45.494 -11.946 -26.389 1.00 0.00 H new ATOM 0 HH22 ARG A 60 47.087 -11.690 -25.669 1.00 0.00 H new ATOM 1031 N LYS A 67 43.800 -11.985 -31.744 1.00 0.00 N ATOM 1032 CA LYS A 67 44.383 -12.812 -30.658 1.00 0.00 C ATOM 1033 C LYS A 67 43.359 -13.144 -29.548 1.00 0.00 C ATOM 1034 O LYS A 67 43.681 -13.216 -28.361 1.00 0.00 O ATOM 1035 CB LYS A 67 45.687 -12.219 -30.083 1.00 0.00 C ATOM 1036 CG LYS A 67 46.678 -13.310 -29.652 1.00 0.00 C ATOM 1037 CD LYS A 67 47.290 -14.049 -30.853 1.00 0.00 C ATOM 1038 CE LYS A 67 47.092 -15.563 -30.725 1.00 0.00 C ATOM 1039 NZ LYS A 67 47.408 -16.222 -32.004 1.00 0.00 N ATOM 0 HA LYS A 67 44.657 -13.758 -31.125 1.00 0.00 H new ATOM 0 HB2 LYS A 67 46.155 -11.580 -30.832 1.00 0.00 H new ATOM 0 HB3 LYS A 67 45.450 -11.586 -29.227 1.00 0.00 H new ATOM 0 HG2 LYS A 67 47.475 -12.860 -29.060 1.00 0.00 H new ATOM 0 HG3 LYS A 67 46.168 -14.027 -29.008 1.00 0.00 H new ATOM 0 HD2 LYS A 67 46.830 -13.695 -31.775 1.00 0.00 H new ATOM 0 HD3 LYS A 67 48.354 -13.822 -30.920 1.00 0.00 H new ATOM 0 HE2 LYS A 67 47.733 -15.956 -29.936 1.00 0.00 H new ATOM 0 HE3 LYS A 67 46.063 -15.781 -30.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 47.271 -17.249 -31.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 46.779 -15.856 -32.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 48.397 -16.027 -32.260 1.00 0.00 H new ATOM 1053 N ASN A 68 42.113 -13.358 -29.959 1.00 0.00 N ATOM 1054 CA ASN A 68 41.065 -13.753 -29.010 1.00 0.00 C ATOM 1055 C ASN A 68 39.986 -14.447 -29.827 1.00 0.00 C ATOM 1056 O ASN A 68 39.817 -14.169 -31.017 1.00 0.00 O ATOM 1057 CB ASN A 68 40.407 -12.646 -28.165 1.00 0.00 C ATOM 1058 CG ASN A 68 41.235 -11.367 -28.022 1.00 0.00 C ATOM 1059 OD1 ASN A 68 41.704 -11.017 -26.941 1.00 0.00 O ATOM 1060 ND2 ASN A 68 41.397 -10.637 -29.108 1.00 0.00 N ATOM 0 H ASN A 68 41.802 -13.268 -30.926 1.00 0.00 H new ATOM 0 HA ASN A 68 41.561 -14.376 -28.266 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.446 -12.391 -28.611 1.00 0.00 H new ATOM 0 HB3 ASN A 68 40.202 -13.042 -27.170 1.00 0.00 H new ATOM 0 HD21 ASN A 68 41.920 -9.763 -29.061 1.00 0.00 H new ATOM 0 HD22 ASN A 68 40.999 -10.947 -29.995 1.00 0.00 H new ATOM 1067 N ILE A 69 39.223 -15.331 -29.212 1.00 0.00 N ATOM 1068 CA ILE A 69 38.289 -16.097 -30.030 1.00 0.00 C ATOM 1069 C ILE A 69 36.858 -15.606 -29.989 1.00 0.00 C ATOM 1070 O ILE A 69 36.163 -15.598 -28.974 1.00 0.00 O ATOM 1071 CB ILE A 69 38.348 -17.599 -29.854 1.00 0.00 C ATOM 1072 CG1 ILE A 69 38.060 -18.020 -28.405 1.00 0.00 C ATOM 1073 CG2 ILE A 69 39.729 -18.077 -30.290 1.00 0.00 C ATOM 1074 CD1 ILE A 69 38.057 -19.537 -28.252 1.00 0.00 C ATOM 0 H ILE A 69 39.222 -15.533 -28.212 1.00 0.00 H new ATOM 0 HA ILE A 69 38.668 -15.894 -31.032 1.00 0.00 H new ATOM 0 HB ILE A 69 37.575 -18.060 -30.470 1.00 0.00 H new ATOM 0 HG12 ILE A 69 38.811 -17.588 -27.744 1.00 0.00 H new ATOM 0 HG13 ILE A 69 37.095 -17.620 -28.094 1.00 0.00 H new ATOM 0 HG21 ILE A 69 39.794 -19.159 -30.171 1.00 0.00 H new ATOM 0 HG22 ILE A 69 39.891 -17.816 -31.336 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.491 -17.598 -29.675 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.850 -19.798 -27.214 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.288 -19.966 -28.894 1.00 0.00 H new ATOM 0 HD13 ILE A 69 39.031 -19.933 -28.538 1.00 0.00 H new ATOM 1086 N GLY A 70 36.435 -15.232 -31.167 1.00 0.00 N ATOM 1087 CA GLY A 70 35.054 -14.774 -31.341 1.00 0.00 C ATOM 1088 C GLY A 70 34.120 -15.938 -31.709 1.00 0.00 C ATOM 1089 O GLY A 70 34.396 -17.094 -31.388 1.00 0.00 O ATOM 0 H GLY A 70 37.003 -15.229 -32.015 1.00 0.00 H new ATOM 0 HA2 GLY A 70 34.706 -14.303 -30.421 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.016 -14.014 -32.122 1.00 0.00 H new ATOM 1093 N PRO A 71 32.965 -15.615 -32.312 1.00 0.00 N ATOM 1094 CA PRO A 71 31.906 -16.616 -32.567 1.00 0.00 C ATOM 1095 C PRO A 71 32.282 -18.115 -32.576 1.00 0.00 C ATOM 1096 O PRO A 71 31.793 -18.889 -31.750 1.00 0.00 O ATOM 1097 CB PRO A 71 31.297 -16.188 -33.910 1.00 0.00 C ATOM 1098 CG PRO A 71 31.806 -14.778 -34.219 1.00 0.00 C ATOM 1099 CD PRO A 71 32.914 -14.463 -33.216 1.00 0.00 C ATOM 0 HA PRO A 71 31.228 -16.598 -31.714 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.586 -16.881 -34.700 1.00 0.00 H new ATOM 0 HB3 PRO A 71 30.208 -16.200 -33.858 1.00 0.00 H new ATOM 0 HG2 PRO A 71 32.185 -14.722 -35.240 1.00 0.00 H new ATOM 0 HG3 PRO A 71 30.997 -14.052 -34.138 1.00 0.00 H new ATOM 0 HD2 PRO A 71 33.869 -14.317 -33.720 1.00 0.00 H new ATOM 0 HD3 PRO A 71 32.699 -13.545 -32.669 1.00 0.00 H new ATOM 1107 N GLU A 72 33.123 -18.545 -33.509 1.00 0.00 N ATOM 1108 CA GLU A 72 33.178 -19.988 -33.799 1.00 0.00 C ATOM 1109 C GLU A 72 34.261 -20.845 -33.112 1.00 0.00 C ATOM 1110 O GLU A 72 33.959 -21.956 -32.677 1.00 0.00 O ATOM 1111 CB GLU A 72 33.012 -20.273 -35.300 1.00 0.00 C ATOM 1112 CG GLU A 72 34.341 -20.272 -36.075 1.00 0.00 C ATOM 1113 CD GLU A 72 34.943 -21.671 -36.190 1.00 0.00 C ATOM 1114 OE1 GLU A 72 34.179 -22.658 -36.277 1.00 0.00 O ATOM 1115 OE2 GLU A 72 36.186 -21.786 -36.203 1.00 0.00 O ATOM 0 H GLU A 72 33.750 -17.957 -34.058 1.00 0.00 H new ATOM 0 HA GLU A 72 32.301 -20.364 -33.272 1.00 0.00 H new ATOM 0 HB2 GLU A 72 32.527 -21.241 -35.427 1.00 0.00 H new ATOM 0 HB3 GLU A 72 32.348 -19.525 -35.733 1.00 0.00 H new ATOM 0 HG2 GLU A 72 34.177 -19.866 -37.073 1.00 0.00 H new ATOM 0 HG3 GLU A 72 35.051 -19.613 -35.575 1.00 0.00 H new ATOM 1122 N GLU A 73 35.514 -20.384 -33.007 1.00 0.00 N ATOM 1123 CA GLU A 73 36.571 -21.266 -32.454 1.00 0.00 C ATOM 1124 C GLU A 73 36.200 -21.956 -31.138 1.00 0.00 C ATOM 1125 O GLU A 73 36.495 -23.133 -30.936 1.00 0.00 O ATOM 1126 CB GLU A 73 37.943 -20.561 -32.356 1.00 0.00 C ATOM 1127 CG GLU A 73 39.016 -21.369 -31.577 1.00 0.00 C ATOM 1128 CD GLU A 73 40.419 -21.078 -32.099 1.00 0.00 C ATOM 1129 OE1 GLU A 73 40.631 -20.013 -32.719 1.00 0.00 O ATOM 1130 OE2 GLU A 73 41.322 -21.912 -31.878 1.00 0.00 O ATOM 0 H GLU A 73 35.821 -19.451 -33.281 1.00 0.00 H new ATOM 0 HA GLU A 73 36.660 -22.067 -33.188 1.00 0.00 H new ATOM 0 HB2 GLU A 73 38.311 -20.365 -33.363 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.809 -19.594 -31.871 1.00 0.00 H new ATOM 0 HG2 GLU A 73 38.962 -21.121 -30.517 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.807 -22.435 -31.666 1.00 0.00 H new ATOM 1137 N TRP A 74 35.519 -21.250 -30.251 1.00 0.00 N ATOM 1138 CA TRP A 74 35.176 -21.866 -28.968 1.00 0.00 C ATOM 1139 C TRP A 74 34.061 -22.933 -29.075 1.00 0.00 C ATOM 1140 O TRP A 74 34.119 -23.984 -28.430 1.00 0.00 O ATOM 1141 CB TRP A 74 35.086 -20.785 -27.859 1.00 0.00 C ATOM 1142 CG TRP A 74 33.842 -20.807 -26.984 1.00 0.00 C ATOM 1143 CD1 TRP A 74 33.089 -19.642 -26.824 1.00 0.00 C ATOM 1144 CD2 TRP A 74 33.787 -21.488 -25.791 1.00 0.00 C ATOM 1145 NE1 TRP A 74 32.462 -19.615 -25.574 1.00 0.00 N ATOM 1146 CE2 TRP A 74 32.940 -20.762 -24.939 1.00 0.00 C ATOM 1147 CE3 TRP A 74 34.899 -22.108 -25.258 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 33.184 -20.765 -23.613 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 35.097 -22.064 -23.912 1.00 0.00 C ATOM 1150 CH2 TRP A 74 34.119 -21.599 -23.115 1.00 0.00 C ATOM 0 H TRP A 74 35.201 -20.289 -30.380 1.00 0.00 H new ATOM 0 HA TRP A 74 35.989 -22.505 -28.624 1.00 0.00 H new ATOM 0 HB2 TRP A 74 35.958 -20.886 -27.213 1.00 0.00 H new ATOM 0 HB3 TRP A 74 35.152 -19.805 -28.332 1.00 0.00 H new ATOM 0 HD1 TRP A 74 33.002 -18.864 -27.568 1.00 0.00 H new ATOM 0 HE1 TRP A 74 31.809 -18.920 -25.212 1.00 0.00 H new ATOM 0 HE3 TRP A 74 35.601 -22.620 -25.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 32.636 -20.106 -22.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.032 -22.400 -23.488 1.00 0.00 H new ATOM 0 HH2 TRP A 74 34.082 -21.893 -22.077 1.00 0.00 H new ATOM 1161 N LEU A 75 33.103 -22.721 -29.978 1.00 0.00 N ATOM 1162 CA LEU A 75 32.105 -23.774 -30.242 1.00 0.00 C ATOM 1163 C LEU A 75 32.645 -24.927 -31.085 1.00 0.00 C ATOM 1164 O LEU A 75 32.453 -26.094 -30.740 1.00 0.00 O ATOM 1165 CB LEU A 75 30.807 -23.215 -30.853 1.00 0.00 C ATOM 1166 CG LEU A 75 29.514 -23.767 -30.230 1.00 0.00 C ATOM 1167 CD1 LEU A 75 29.325 -25.288 -30.410 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.455 -23.419 -28.755 1.00 0.00 C ATOM 0 H LEU A 75 32.992 -21.866 -30.524 1.00 0.00 H new ATOM 0 HA LEU A 75 31.866 -24.184 -29.261 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.810 -22.130 -30.749 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.801 -23.432 -31.921 1.00 0.00 H new ATOM 0 HG LEU A 75 28.697 -23.290 -30.772 1.00 0.00 H new ATOM 0 HD11 LEU A 75 28.390 -25.596 -29.942 1.00 0.00 H new ATOM 0 HD12 LEU A 75 29.295 -25.528 -31.473 1.00 0.00 H new ATOM 0 HD13 LEU A 75 30.156 -25.816 -29.942 1.00 0.00 H new ATOM 0 HD21 LEU A 75 28.535 -23.815 -28.324 1.00 0.00 H new ATOM 0 HD22 LEU A 75 30.313 -23.856 -28.243 1.00 0.00 H new ATOM 0 HD23 LEU A 75 29.475 -22.336 -28.636 1.00 0.00 H new ATOM 1180 N THR A 76 33.293 -24.637 -32.211 1.00 0.00 N ATOM 1181 CA THR A 76 33.887 -25.746 -32.971 1.00 0.00 C ATOM 1182 C THR A 76 34.923 -26.527 -32.157 1.00 0.00 C ATOM 1183 O THR A 76 34.988 -27.752 -32.224 1.00 0.00 O ATOM 1184 CB THR A 76 34.456 -25.364 -34.340 1.00 0.00 C ATOM 1185 OG1 THR A 76 33.440 -24.749 -35.126 1.00 0.00 O ATOM 1186 CG2 THR A 76 35.645 -24.409 -34.226 1.00 0.00 C ATOM 0 H THR A 76 33.419 -23.704 -32.604 1.00 0.00 H new ATOM 0 HA THR A 76 33.037 -26.398 -33.175 1.00 0.00 H new ATOM 0 HB THR A 76 34.806 -26.281 -34.814 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.848 -24.302 -35.897 1.00 0.00 H new ATOM 0 HG21 THR A 76 36.014 -24.167 -35.223 1.00 0.00 H new ATOM 0 HG22 THR A 76 35.330 -23.494 -33.724 1.00 0.00 H new ATOM 0 HG23 THR A 76 36.439 -24.884 -33.650 1.00 0.00 H new ATOM 1194 N LEU A 77 35.729 -25.827 -31.364 1.00 0.00 N ATOM 1195 CA LEU A 77 36.649 -26.534 -30.479 1.00 0.00 C ATOM 1196 C LEU A 77 35.920 -27.438 -29.483 1.00 0.00 C ATOM 1197 O LEU A 77 36.310 -28.586 -29.278 1.00 0.00 O ATOM 1198 CB LEU A 77 37.609 -25.581 -29.757 1.00 0.00 C ATOM 1199 CG LEU A 77 38.616 -26.339 -28.880 1.00 0.00 C ATOM 1200 CD1 LEU A 77 39.912 -25.552 -28.786 1.00 0.00 C ATOM 1201 CD2 LEU A 77 38.070 -26.518 -27.467 1.00 0.00 C ATOM 0 H LEU A 77 35.766 -24.809 -31.315 1.00 0.00 H new ATOM 0 HA LEU A 77 37.249 -27.177 -31.122 1.00 0.00 H new ATOM 0 HB2 LEU A 77 38.146 -24.982 -30.492 1.00 0.00 H new ATOM 0 HB3 LEU A 77 37.037 -24.889 -29.138 1.00 0.00 H new ATOM 0 HG LEU A 77 38.791 -27.314 -29.335 1.00 0.00 H new ATOM 0 HD11 LEU A 77 40.623 -26.095 -28.163 1.00 0.00 H new ATOM 0 HD12 LEU A 77 40.331 -25.420 -29.784 1.00 0.00 H new ATOM 0 HD13 LEU A 77 39.713 -24.576 -28.344 1.00 0.00 H new ATOM 0 HD21 LEU A 77 38.798 -27.057 -26.861 1.00 0.00 H new ATOM 0 HD22 LEU A 77 37.882 -25.540 -27.023 1.00 0.00 H new ATOM 0 HD23 LEU A 77 37.140 -27.084 -27.506 1.00 0.00 H new ATOM 1213 N CYS A 78 34.851 -26.945 -28.857 1.00 0.00 N ATOM 1214 CA CYS A 78 34.149 -27.803 -27.890 1.00 0.00 C ATOM 1215 C CYS A 78 33.514 -28.997 -28.629 1.00 0.00 C ATOM 1216 O CYS A 78 33.645 -30.141 -28.189 1.00 0.00 O ATOM 1217 CB CYS A 78 33.071 -26.870 -27.321 1.00 0.00 C ATOM 1218 SG CYS A 78 33.619 -26.253 -25.698 1.00 0.00 S ATOM 0 H CYS A 78 34.465 -26.010 -28.987 1.00 0.00 H new ATOM 0 HA CYS A 78 34.792 -28.223 -27.117 1.00 0.00 H new ATOM 0 HB2 CYS A 78 32.897 -26.037 -28.002 1.00 0.00 H new ATOM 0 HB3 CYS A 78 32.126 -27.403 -27.222 1.00 0.00 H new ATOM 0 HG CYS A 78 32.611 -26.237 -24.877 1.00 0.00 H new ATOM 1224 N SER A 79 32.868 -28.764 -29.776 1.00 0.00 N ATOM 1225 CA SER A 79 32.327 -29.907 -30.524 1.00 0.00 C ATOM 1226 C SER A 79 33.402 -30.912 -30.968 1.00 0.00 C ATOM 1227 O SER A 79 33.240 -32.123 -30.816 1.00 0.00 O ATOM 1228 CB SER A 79 31.473 -29.461 -31.714 1.00 0.00 C ATOM 1229 OG SER A 79 30.803 -30.581 -32.281 1.00 0.00 O ATOM 0 H SER A 79 32.711 -27.846 -30.192 1.00 0.00 H new ATOM 0 HA SER A 79 31.682 -30.432 -29.820 1.00 0.00 H new ATOM 0 HB2 SER A 79 30.745 -28.717 -31.391 1.00 0.00 H new ATOM 0 HB3 SER A 79 32.103 -28.985 -32.466 1.00 0.00 H new ATOM 0 HG SER A 79 30.258 -30.286 -33.040 1.00 0.00 H new ATOM 1235 N LYS A 80 34.533 -30.406 -31.455 1.00 0.00 N ATOM 1236 CA LYS A 80 35.566 -31.308 -31.972 1.00 0.00 C ATOM 1237 C LYS A 80 36.429 -31.952 -30.874 1.00 0.00 C ATOM 1238 O LYS A 80 36.909 -33.074 -31.033 1.00 0.00 O ATOM 1239 CB LYS A 80 36.418 -30.633 -33.062 1.00 0.00 C ATOM 1240 CG LYS A 80 35.722 -30.667 -34.437 1.00 0.00 C ATOM 1241 CD LYS A 80 34.575 -29.650 -34.538 1.00 0.00 C ATOM 1242 CE LYS A 80 33.729 -29.921 -35.780 1.00 0.00 C ATOM 1243 NZ LYS A 80 32.526 -29.068 -35.780 1.00 0.00 N ATOM 0 H LYS A 80 34.756 -29.412 -31.504 1.00 0.00 H new ATOM 0 HA LYS A 80 35.032 -32.136 -32.439 1.00 0.00 H new ATOM 0 HB2 LYS A 80 36.615 -29.599 -32.780 1.00 0.00 H new ATOM 0 HB3 LYS A 80 37.383 -31.134 -33.131 1.00 0.00 H new ATOM 0 HG2 LYS A 80 36.455 -30.463 -35.217 1.00 0.00 H new ATOM 0 HG3 LYS A 80 35.333 -31.669 -34.620 1.00 0.00 H new ATOM 0 HD2 LYS A 80 33.951 -29.707 -33.646 1.00 0.00 H new ATOM 0 HD3 LYS A 80 34.980 -28.639 -34.580 1.00 0.00 H new ATOM 0 HE2 LYS A 80 34.318 -29.730 -36.677 1.00 0.00 H new ATOM 0 HE3 LYS A 80 33.438 -30.971 -35.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 31.961 -29.264 -36.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 31.957 -29.270 -34.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 32.810 -28.067 -35.776 1.00 0.00 H new ATOM 1257 N TRP A 81 36.649 -31.252 -29.761 1.00 0.00 N ATOM 1258 CA TRP A 81 37.306 -31.912 -28.620 1.00 0.00 C ATOM 1259 C TRP A 81 36.455 -33.043 -28.038 1.00 0.00 C ATOM 1260 O TRP A 81 36.942 -34.132 -27.736 1.00 0.00 O ATOM 1261 CB TRP A 81 37.679 -30.954 -27.465 1.00 0.00 C ATOM 1262 CG TRP A 81 39.165 -30.956 -27.189 1.00 0.00 C ATOM 1263 CD1 TRP A 81 40.104 -30.569 -28.126 1.00 0.00 C ATOM 1264 CD2 TRP A 81 39.774 -31.817 -26.325 1.00 0.00 C ATOM 1265 NE1 TRP A 81 41.323 -31.248 -27.917 1.00 0.00 N ATOM 1266 CE2 TRP A 81 41.077 -32.018 -26.767 1.00 0.00 C ATOM 1267 CE3 TRP A 81 39.102 -32.805 -25.671 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 41.655 -33.235 -26.576 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 39.740 -33.962 -25.390 1.00 0.00 C ATOM 1270 CH2 TRP A 81 40.998 -34.184 -25.852 1.00 0.00 C ATOM 0 H TRP A 81 36.398 -30.273 -29.621 1.00 0.00 H new ATOM 0 HA TRP A 81 38.227 -32.310 -29.047 1.00 0.00 H new ATOM 0 HB2 TRP A 81 37.357 -29.943 -27.714 1.00 0.00 H new ATOM 0 HB3 TRP A 81 37.142 -31.246 -26.563 1.00 0.00 H new ATOM 0 HD1 TRP A 81 39.929 -29.847 -28.910 1.00 0.00 H new ATOM 0 HE1 TRP A 81 42.179 -31.193 -28.469 1.00 0.00 H new ATOM 0 HE3 TRP A 81 38.071 -32.665 -25.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 42.627 -33.447 -26.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 39.247 -34.716 -24.794 1.00 0.00 H new ATOM 0 HH2 TRP A 81 41.484 -35.125 -25.643 1.00 0.00 H new ATOM 1281 N VAL A 82 35.169 -32.767 -27.876 1.00 0.00 N ATOM 1282 CA VAL A 82 34.295 -33.766 -27.245 1.00 0.00 C ATOM 1283 C VAL A 82 33.904 -34.908 -28.198 1.00 0.00 C ATOM 1284 O VAL A 82 34.358 -36.043 -28.051 1.00 0.00 O ATOM 1285 CB VAL A 82 33.054 -33.123 -26.592 1.00 0.00 C ATOM 1286 CG1 VAL A 82 32.188 -34.173 -25.883 1.00 0.00 C ATOM 1287 CG2 VAL A 82 33.473 -32.063 -25.569 1.00 0.00 C ATOM 0 H VAL A 82 34.714 -31.899 -28.157 1.00 0.00 H new ATOM 0 HA VAL A 82 34.886 -34.217 -26.448 1.00 0.00 H new ATOM 0 HB VAL A 82 32.474 -32.661 -27.391 1.00 0.00 H new ATOM 0 HG11 VAL A 82 31.322 -33.687 -25.434 1.00 0.00 H new ATOM 0 HG12 VAL A 82 31.852 -34.916 -26.606 1.00 0.00 H new ATOM 0 HG13 VAL A 82 32.774 -34.662 -25.105 1.00 0.00 H new ATOM 0 HG21 VAL A 82 32.584 -31.620 -25.119 1.00 0.00 H new ATOM 0 HG22 VAL A 82 34.080 -32.527 -24.792 1.00 0.00 H new ATOM 0 HG23 VAL A 82 34.053 -31.286 -26.067 1.00 0.00 H new