USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 330 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 Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 423 MET CE :methyl -163:sc= -0.0583 (180deg=-0.375) USER MOD Single : A 433 MET CE :methyl -166:sc= -0.0291 (180deg=-0.414) USER MOD Single : A 434 THR OG1 : rot 69:sc= 1.22 USER MOD Single : A 436 GLN : amide:sc= 0.18 X(o=0.18,f=-0.17) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 477 HIS : no HD1:sc=-0.00731 X(o=-0.0073,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc=-0.00493 (180deg=-0.00493) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.237 X(o=0.24,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -16.860 -2.221 -45.872 1.00 25.00 N ATOM 114 CA GLU A 419 -17.274 -3.625 -45.908 1.00 25.00 C ATOM 115 C GLU A 419 -18.309 -3.830 -47.004 1.00 25.00 C ATOM 116 O GLU A 419 -18.335 -4.856 -47.653 1.00 25.00 O ATOM 117 CB GLU A 419 -17.886 -4.028 -44.563 1.00 25.00 C ATOM 118 CG GLU A 419 -16.914 -3.980 -43.395 1.00 25.00 C ATOM 119 CD GLU A 419 -17.638 -3.790 -42.075 1.00 25.00 C ATOM 120 OE1 GLU A 419 -17.414 -2.733 -41.436 1.00 25.00 O ATOM 121 OE2 GLU A 419 -18.433 -4.657 -41.676 1.00 25.00 O ATOM 0 HA GLU A 419 -16.398 -4.242 -46.108 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -18.727 -3.369 -44.348 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -18.286 -5.039 -44.647 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -16.335 -4.903 -43.364 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -16.206 -3.165 -43.543 1.00 25.00 H new ATOM 128 N VAL A 420 -19.160 -2.836 -47.212 1.00 25.00 N ATOM 129 CA VAL A 420 -20.185 -2.912 -48.256 1.00 25.00 C ATOM 130 C VAL A 420 -19.529 -2.835 -49.639 1.00 25.00 C ATOM 131 O VAL A 420 -19.968 -3.481 -50.585 1.00 25.00 O ATOM 132 CB VAL A 420 -21.228 -1.766 -48.104 1.00 25.00 C ATOM 133 CG1 VAL A 420 -22.342 -1.894 -49.147 1.00 25.00 C ATOM 134 CG2 VAL A 420 -21.848 -1.802 -46.706 1.00 25.00 C ATOM 0 H VAL A 420 -19.166 -1.968 -46.676 1.00 25.00 H new ATOM 0 HA VAL A 420 -20.705 -3.864 -48.151 1.00 25.00 H new ATOM 0 HB VAL A 420 -20.709 -0.820 -48.256 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -23.056 -1.081 -49.018 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -21.912 -1.843 -50.147 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -22.852 -2.849 -49.019 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -22.576 -0.996 -46.610 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -22.345 -2.760 -46.553 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -21.066 -1.675 -45.958 1.00 25.00 H new ATOM 144 N SER A 421 -18.467 -2.055 -49.753 1.00 25.00 N ATOM 145 CA SER A 421 -17.757 -1.934 -51.024 1.00 25.00 C ATOM 146 C SER A 421 -17.074 -3.259 -51.352 1.00 25.00 C ATOM 147 O SER A 421 -17.044 -3.689 -52.503 1.00 25.00 O ATOM 148 CB SER A 421 -16.716 -0.817 -50.948 1.00 25.00 C ATOM 149 OG SER A 421 -17.330 0.416 -50.595 1.00 25.00 O ATOM 0 H SER A 421 -18.077 -1.499 -48.992 1.00 25.00 H new ATOM 0 HA SER A 421 -18.472 -1.689 -51.809 1.00 25.00 H new ATOM 0 HB2 SER A 421 -15.953 -1.073 -50.213 1.00 25.00 H new ATOM 0 HB3 SER A 421 -16.212 -0.716 -51.909 1.00 25.00 H new ATOM 0 HG SER A 421 -16.649 1.119 -50.549 1.00 25.00 H new ATOM 155 N ASP A 422 -16.542 -3.907 -50.326 1.00 25.00 N ATOM 156 CA ASP A 422 -15.877 -5.199 -50.488 1.00 25.00 C ATOM 157 C ASP A 422 -16.907 -6.295 -50.750 1.00 25.00 C ATOM 158 O ASP A 422 -16.624 -7.278 -51.427 1.00 25.00 O ATOM 159 CB ASP A 422 -15.079 -5.545 -49.223 1.00 25.00 C ATOM 160 CG ASP A 422 -13.893 -4.612 -48.997 1.00 25.00 C ATOM 161 OD1 ASP A 422 -13.519 -4.406 -47.821 1.00 25.00 O ATOM 162 OD2 ASP A 422 -13.330 -4.093 -49.989 1.00 25.00 O ATOM 0 H ASP A 422 -16.556 -3.560 -49.367 1.00 25.00 H new ATOM 0 HA ASP A 422 -15.198 -5.133 -51.338 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -15.741 -5.500 -48.358 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -14.719 -6.571 -49.296 1.00 25.00 H new ATOM 167 N MET A 423 -18.111 -6.121 -50.220 1.00 25.00 N ATOM 168 CA MET A 423 -19.191 -7.097 -50.378 1.00 25.00 C ATOM 169 C MET A 423 -19.532 -7.314 -51.845 1.00 25.00 C ATOM 170 O MET A 423 -19.837 -8.425 -52.254 1.00 25.00 O ATOM 171 CB MET A 423 -20.434 -6.620 -49.624 1.00 25.00 C ATOM 172 CG MET A 423 -21.488 -7.689 -49.400 1.00 25.00 C ATOM 173 SD MET A 423 -22.917 -7.032 -48.483 1.00 25.00 S ATOM 174 CE MET A 423 -22.194 -6.657 -46.855 1.00 25.00 C ATOM 0 H MET A 423 -18.370 -5.303 -49.669 1.00 25.00 H new ATOM 0 HA MET A 423 -18.851 -8.047 -49.965 1.00 25.00 H new ATOM 0 HB2 MET A 423 -20.126 -6.224 -48.656 1.00 25.00 H new ATOM 0 HB3 MET A 423 -20.884 -5.795 -50.177 1.00 25.00 H new ATOM 0 HG2 MET A 423 -21.820 -8.082 -50.361 1.00 25.00 H new ATOM 0 HG3 MET A 423 -21.052 -8.522 -48.849 1.00 25.00 H new ATOM 0 HE1 MET A 423 -22.991 -6.541 -46.121 1.00 25.00 H new ATOM 0 HE2 MET A 423 -21.538 -7.473 -46.552 1.00 25.00 H new ATOM 0 HE3 MET A 423 -21.620 -5.733 -46.916 1.00 25.00 H new ATOM 184 N ALA A 424 -19.454 -6.258 -52.643 1.00 25.00 N ATOM 185 CA ALA A 424 -19.728 -6.368 -54.073 1.00 25.00 C ATOM 186 C ALA A 424 -18.758 -7.362 -54.741 1.00 25.00 C ATOM 187 O ALA A 424 -19.121 -8.073 -55.681 1.00 25.00 O ATOM 188 CB ALA A 424 -19.616 -4.986 -54.725 1.00 25.00 C ATOM 0 H ALA A 424 -19.205 -5.320 -52.329 1.00 25.00 H new ATOM 0 HA ALA A 424 -20.741 -6.746 -54.210 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -19.821 -5.070 -55.792 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -20.338 -4.309 -54.269 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -18.609 -4.595 -54.578 1.00 25.00 H new ATOM 194 N ALA A 425 -17.528 -7.418 -54.247 1.00 25.00 N ATOM 195 CA ALA A 425 -16.538 -8.344 -54.784 1.00 25.00 C ATOM 196 C ALA A 425 -16.853 -9.770 -54.315 1.00 25.00 C ATOM 197 O ALA A 425 -16.649 -10.726 -55.053 1.00 25.00 O ATOM 198 CB ALA A 425 -15.126 -7.930 -54.342 1.00 25.00 C ATOM 0 H ALA A 425 -17.193 -6.836 -53.479 1.00 25.00 H new ATOM 0 HA ALA A 425 -16.577 -8.316 -55.873 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -14.397 -8.630 -54.750 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -14.910 -6.926 -54.708 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -15.068 -7.939 -53.254 1.00 25.00 H new ATOM 204 N VAL A 426 -17.361 -9.904 -53.096 1.00 25.00 N ATOM 205 CA VAL A 426 -17.732 -11.212 -52.552 1.00 25.00 C ATOM 206 C VAL A 426 -18.895 -11.782 -53.357 1.00 25.00 C ATOM 207 O VAL A 426 -18.906 -12.960 -53.688 1.00 25.00 O ATOM 208 CB VAL A 426 -18.145 -11.108 -51.051 1.00 25.00 C ATOM 209 CG1 VAL A 426 -18.557 -12.473 -50.501 1.00 25.00 C ATOM 210 CG2 VAL A 426 -16.989 -10.550 -50.222 1.00 25.00 C ATOM 0 H VAL A 426 -17.527 -9.123 -52.461 1.00 25.00 H new ATOM 0 HA VAL A 426 -16.865 -11.869 -52.622 1.00 25.00 H new ATOM 0 HB VAL A 426 -18.998 -10.433 -50.983 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -18.840 -12.373 -49.453 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -19.404 -12.854 -51.071 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -17.721 -13.167 -50.586 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -17.290 -10.482 -49.177 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -16.127 -11.211 -50.309 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -16.724 -9.558 -50.588 1.00 25.00 H new ATOM 220 N GLU A 427 -19.862 -10.942 -53.689 1.00 25.00 N ATOM 221 CA GLU A 427 -21.006 -11.370 -54.490 1.00 25.00 C ATOM 222 C GLU A 427 -20.529 -11.917 -55.835 1.00 25.00 C ATOM 223 O GLU A 427 -20.988 -12.966 -56.294 1.00 25.00 O ATOM 224 CB GLU A 427 -21.953 -10.192 -54.731 1.00 25.00 C ATOM 225 CG GLU A 427 -22.753 -9.766 -53.507 1.00 25.00 C ATOM 226 CD GLU A 427 -23.646 -8.566 -53.801 1.00 25.00 C ATOM 227 OE1 GLU A 427 -24.547 -8.688 -54.663 1.00 25.00 O ATOM 228 OE2 GLU A 427 -23.446 -7.499 -53.180 1.00 25.00 O ATOM 0 H GLU A 427 -19.881 -9.959 -53.418 1.00 25.00 H new ATOM 0 HA GLU A 427 -21.535 -12.153 -53.947 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -21.371 -9.340 -55.084 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -22.647 -10.457 -55.529 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -23.366 -10.600 -53.166 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -22.070 -9.520 -52.694 1.00 25.00 H new ATOM 235 N ALA A 428 -19.596 -11.217 -56.465 1.00 25.00 N ATOM 236 CA ALA A 428 -19.055 -11.656 -57.747 1.00 25.00 C ATOM 237 C ALA A 428 -18.278 -12.970 -57.583 1.00 25.00 C ATOM 238 O ALA A 428 -18.357 -13.864 -58.434 1.00 25.00 O ATOM 239 CB ALA A 428 -18.149 -10.565 -58.331 1.00 25.00 C ATOM 0 H ALA A 428 -19.198 -10.346 -56.113 1.00 25.00 H new ATOM 0 HA ALA A 428 -19.881 -11.834 -58.435 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -17.748 -10.899 -59.288 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -18.727 -9.652 -58.478 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -17.327 -10.367 -57.643 1.00 25.00 H new ATOM 245 N ALA A 429 -17.541 -13.085 -56.486 1.00 25.00 N ATOM 246 CA ALA A 429 -16.758 -14.281 -56.208 1.00 25.00 C ATOM 247 C ALA A 429 -17.675 -15.489 -56.014 1.00 25.00 C ATOM 248 O ALA A 429 -17.403 -16.556 -56.534 1.00 25.00 O ATOM 249 CB ALA A 429 -15.882 -14.066 -54.967 1.00 25.00 C ATOM 0 H ALA A 429 -17.469 -12.361 -55.771 1.00 25.00 H new ATOM 0 HA ALA A 429 -16.109 -14.477 -57.061 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -15.302 -14.968 -54.770 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -15.205 -13.230 -55.140 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -16.516 -13.848 -54.108 1.00 25.00 H new ATOM 255 N GLU A 430 -18.763 -15.321 -55.280 1.00 25.00 N ATOM 256 CA GLU A 430 -19.707 -16.418 -55.050 1.00 25.00 C ATOM 257 C GLU A 430 -20.284 -16.881 -56.361 1.00 25.00 C ATOM 258 O GLU A 430 -20.379 -18.079 -56.641 1.00 25.00 O ATOM 259 CB GLU A 430 -20.864 -15.956 -54.176 1.00 25.00 C ATOM 260 CG GLU A 430 -20.507 -15.801 -52.739 1.00 25.00 C ATOM 261 CD GLU A 430 -20.685 -17.105 -51.962 1.00 25.00 C ATOM 262 OE1 GLU A 430 -21.552 -17.154 -51.063 1.00 25.00 O ATOM 263 OE2 GLU A 430 -19.960 -18.085 -52.257 1.00 25.00 O ATOM 0 H GLU A 430 -19.019 -14.441 -54.832 1.00 25.00 H new ATOM 0 HA GLU A 430 -19.165 -17.226 -54.558 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -21.234 -15.003 -54.554 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -21.681 -16.672 -54.263 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -19.473 -15.468 -52.656 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -21.129 -15.025 -52.292 1.00 25.00 H new ATOM 270 N LEU A 431 -20.662 -15.918 -57.180 1.00 25.00 N ATOM 271 CA LEU A 431 -21.229 -16.226 -58.489 1.00 25.00 C ATOM 272 C LEU A 431 -20.278 -17.081 -59.329 1.00 25.00 C ATOM 273 O LEU A 431 -20.721 -18.068 -59.930 1.00 25.00 O ATOM 274 CB LEU A 431 -21.592 -14.941 -59.244 1.00 25.00 C ATOM 275 CG LEU A 431 -22.872 -14.231 -58.767 1.00 25.00 C ATOM 276 CD1 LEU A 431 -22.944 -12.836 -59.380 1.00 25.00 C ATOM 277 CD2 LEU A 431 -24.133 -15.025 -59.146 1.00 25.00 C ATOM 0 H LEU A 431 -20.590 -14.923 -56.969 1.00 25.00 H new ATOM 0 HA LEU A 431 -22.139 -16.802 -58.319 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -20.758 -14.244 -59.161 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -21.703 -15.181 -60.302 1.00 25.00 H new ATOM 0 HG LEU A 431 -22.831 -14.159 -57.680 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -23.851 -12.336 -59.041 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -22.073 -12.257 -59.071 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -22.959 -12.917 -60.467 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -25.017 -14.494 -58.793 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -24.183 -15.133 -60.229 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -24.094 -16.012 -58.684 1.00 25.00 H new ATOM 289 N GLU A 432 -18.999 -16.737 -59.403 1.00 25.00 N ATOM 290 CA GLU A 432 -18.054 -17.572 -60.155 1.00 25.00 C ATOM 291 C GLU A 432 -17.695 -18.882 -59.426 1.00 25.00 C ATOM 292 O GLU A 432 -17.494 -19.920 -60.067 1.00 25.00 O ATOM 293 CB GLU A 432 -16.797 -16.800 -60.584 1.00 25.00 C ATOM 294 CG GLU A 432 -15.810 -16.446 -59.488 1.00 25.00 C ATOM 295 CD GLU A 432 -14.523 -15.879 -60.063 1.00 25.00 C ATOM 296 OE1 GLU A 432 -14.594 -14.953 -60.901 1.00 25.00 O ATOM 297 OE2 GLU A 432 -13.438 -16.374 -59.690 1.00 25.00 O ATOM 0 H GLU A 432 -18.593 -15.909 -58.966 1.00 25.00 H new ATOM 0 HA GLU A 432 -18.580 -17.858 -61.066 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -16.274 -17.391 -61.335 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -17.113 -15.876 -61.069 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -16.260 -15.719 -58.812 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -15.586 -17.334 -58.897 1.00 25.00 H new ATOM 304 N MET A 433 -17.623 -18.856 -58.099 1.00 25.00 N ATOM 305 CA MET A 433 -17.287 -20.059 -57.331 1.00 25.00 C ATOM 306 C MET A 433 -18.368 -21.102 -57.480 1.00 25.00 C ATOM 307 O MET A 433 -18.068 -22.286 -57.541 1.00 25.00 O ATOM 308 CB MET A 433 -17.101 -19.758 -55.842 1.00 25.00 C ATOM 309 CG MET A 433 -15.736 -19.185 -55.503 1.00 25.00 C ATOM 310 SD MET A 433 -15.441 -19.126 -53.716 1.00 25.00 S ATOM 311 CE MET A 433 -16.597 -17.833 -53.177 1.00 25.00 C ATOM 0 H MET A 433 -17.791 -18.024 -57.533 1.00 25.00 H new ATOM 0 HA MET A 433 -16.345 -20.432 -57.732 1.00 25.00 H new ATOM 0 HB2 MET A 433 -17.870 -19.055 -55.523 1.00 25.00 H new ATOM 0 HB3 MET A 433 -17.252 -20.675 -55.273 1.00 25.00 H new ATOM 0 HG2 MET A 433 -14.963 -19.789 -55.977 1.00 25.00 H new ATOM 0 HG3 MET A 433 -15.653 -18.180 -55.916 1.00 25.00 H new ATOM 0 HE1 MET A 433 -16.349 -17.523 -52.162 1.00 25.00 H new ATOM 0 HE2 MET A 433 -16.523 -16.976 -53.847 1.00 25.00 H new ATOM 0 HE3 MET A 433 -17.615 -18.223 -53.198 1.00 25.00 H new ATOM 321 N THR A 434 -19.620 -20.670 -57.558 1.00 25.00 N ATOM 322 CA THR A 434 -20.757 -21.581 -57.727 1.00 25.00 C ATOM 323 C THR A 434 -20.546 -22.497 -58.935 1.00 25.00 C ATOM 324 O THR A 434 -20.943 -23.654 -58.933 1.00 25.00 O ATOM 325 CB THR A 434 -22.083 -20.784 -57.910 1.00 25.00 C ATOM 326 OG1 THR A 434 -22.310 -19.965 -56.762 1.00 25.00 O ATOM 327 CG2 THR A 434 -23.288 -21.708 -58.045 1.00 25.00 C ATOM 0 H THR A 434 -19.881 -19.685 -57.507 1.00 25.00 H new ATOM 0 HA THR A 434 -20.828 -22.190 -56.825 1.00 25.00 H new ATOM 0 HB THR A 434 -21.976 -20.190 -58.818 1.00 25.00 H new ATOM 0 HG1 THR A 434 -21.642 -19.249 -56.734 1.00 25.00 H new ATOM 0 HG21 THR A 434 -24.192 -21.112 -58.171 1.00 25.00 H new ATOM 0 HG22 THR A 434 -23.156 -22.354 -58.913 1.00 25.00 H new ATOM 0 HG23 THR A 434 -23.379 -22.320 -57.148 1.00 25.00 H new ATOM 335 N ARG A 435 -19.899 -21.983 -59.968 1.00 25.00 N ATOM 336 CA ARG A 435 -19.676 -22.763 -61.192 1.00 25.00 C ATOM 337 C ARG A 435 -18.709 -23.907 -60.915 1.00 25.00 C ATOM 338 O ARG A 435 -18.917 -25.021 -61.365 1.00 25.00 O ATOM 339 CB ARG A 435 -19.115 -21.886 -62.325 1.00 25.00 C ATOM 340 CG ARG A 435 -19.738 -20.488 -62.448 1.00 25.00 C ATOM 341 CD ARG A 435 -21.225 -20.487 -62.776 1.00 25.00 C ATOM 342 NE ARG A 435 -21.830 -19.257 -62.245 1.00 25.00 N ATOM 343 CZ ARG A 435 -22.959 -18.699 -62.660 1.00 25.00 C ATOM 344 NH1 ARG A 435 -23.676 -19.200 -63.636 1.00 25.00 N ATOM 345 NH2 ARG A 435 -23.366 -17.609 -62.074 1.00 25.00 N ATOM 0 H ARG A 435 -19.518 -21.037 -59.992 1.00 25.00 H new ATOM 0 HA ARG A 435 -20.640 -23.161 -61.509 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -18.041 -21.774 -62.177 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -19.254 -22.411 -63.270 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -19.585 -19.952 -61.511 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -19.207 -19.934 -63.223 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -21.373 -20.544 -63.854 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -21.707 -21.362 -62.341 1.00 25.00 H new ATOM 0 HE ARG A 435 -21.335 -18.789 -61.486 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -23.371 -20.051 -64.108 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -24.539 -18.738 -63.924 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -22.819 -17.204 -61.314 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -24.231 -17.161 -62.375 1.00 25.00 H new ATOM 359 N GLN A 436 -17.657 -23.623 -60.161 1.00 25.00 N ATOM 360 CA GLN A 436 -16.657 -24.640 -59.830 1.00 25.00 C ATOM 361 C GLN A 436 -17.274 -25.631 -58.848 1.00 25.00 C ATOM 362 O GLN A 436 -17.034 -26.829 -58.904 1.00 25.00 O ATOM 363 CB GLN A 436 -15.411 -24.008 -59.179 1.00 25.00 C ATOM 364 CG GLN A 436 -15.069 -22.577 -59.631 1.00 25.00 C ATOM 365 CD GLN A 436 -14.866 -22.441 -61.126 1.00 25.00 C ATOM 366 OE1 GLN A 436 -14.333 -23.322 -61.778 1.00 25.00 O ATOM 367 NE2 GLN A 436 -15.297 -21.335 -61.670 1.00 25.00 N ATOM 0 H GLN A 436 -17.470 -22.701 -59.766 1.00 25.00 H new ATOM 0 HA GLN A 436 -16.351 -25.138 -60.750 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -15.553 -24.003 -58.098 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -14.553 -24.648 -59.385 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -15.870 -21.906 -59.320 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -14.163 -22.251 -59.119 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -15.738 -20.620 -61.091 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -15.193 -21.186 -62.674 1.00 25.00 H new ATOM 376 N VAL A 437 -18.079 -25.092 -57.949 1.00 25.00 N ATOM 377 CA VAL A 437 -18.771 -25.849 -56.913 1.00 25.00 C ATOM 378 C VAL A 437 -19.719 -26.891 -57.507 1.00 25.00 C ATOM 379 O VAL A 437 -19.833 -27.993 -56.980 1.00 25.00 O ATOM 380 CB VAL A 437 -19.518 -24.832 -55.997 1.00 25.00 C ATOM 381 CG1 VAL A 437 -20.736 -25.424 -55.320 1.00 25.00 C ATOM 382 CG2 VAL A 437 -18.540 -24.247 -54.967 1.00 25.00 C ATOM 0 H VAL A 437 -18.276 -24.092 -57.916 1.00 25.00 H new ATOM 0 HA VAL A 437 -18.050 -26.414 -56.322 1.00 25.00 H new ATOM 0 HB VAL A 437 -19.893 -24.033 -56.636 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -21.211 -24.666 -54.697 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -21.442 -25.767 -56.076 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -20.433 -26.267 -54.698 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -19.066 -23.537 -54.329 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -18.132 -25.051 -54.355 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -17.728 -23.737 -55.485 1.00 25.00 H new ATOM 392 N LEU A 438 -20.374 -26.562 -58.612 1.00 25.00 N ATOM 393 CA LEU A 438 -21.293 -27.496 -59.272 1.00 25.00 C ATOM 394 C LEU A 438 -20.559 -28.688 -59.889 1.00 25.00 C ATOM 395 O LEU A 438 -21.175 -29.693 -60.235 1.00 25.00 O ATOM 396 CB LEU A 438 -22.084 -26.767 -60.362 1.00 25.00 C ATOM 397 CG LEU A 438 -23.217 -25.860 -59.854 1.00 25.00 C ATOM 398 CD1 LEU A 438 -23.701 -24.962 -60.990 1.00 25.00 C ATOM 399 CD2 LEU A 438 -24.386 -26.678 -59.299 1.00 25.00 C ATOM 0 H LEU A 438 -20.290 -25.657 -59.075 1.00 25.00 H new ATOM 0 HA LEU A 438 -21.970 -27.879 -58.508 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -21.392 -26.163 -60.948 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -22.510 -27.509 -61.037 1.00 25.00 H new ATOM 0 HG LEU A 438 -22.825 -25.248 -59.042 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -24.504 -24.320 -60.629 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -22.875 -24.346 -61.344 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -24.070 -25.579 -61.809 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -25.168 -26.004 -58.949 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -24.785 -27.321 -60.084 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -24.038 -27.292 -58.468 1.00 25.00 H new ATOM 720 N ALA A 462 -18.558 -32.952 -45.333 1.00 25.00 N ATOM 721 CA ALA A 462 -17.470 -33.191 -44.394 1.00 25.00 C ATOM 722 C ALA A 462 -18.025 -33.797 -43.102 1.00 25.00 C ATOM 723 O ALA A 462 -17.414 -34.689 -42.525 1.00 25.00 O ATOM 724 CB ALA A 462 -16.729 -31.888 -44.096 1.00 25.00 C ATOM 0 HA ALA A 462 -16.765 -33.892 -44.839 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.919 -32.083 -43.393 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.318 -31.484 -45.021 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.421 -31.167 -43.661 1.00 25.00 H new ATOM 730 N LEU A 463 -19.184 -33.328 -42.649 1.00 25.00 N ATOM 731 CA LEU A 463 -19.786 -33.854 -41.435 1.00 25.00 C ATOM 732 C LEU A 463 -20.165 -35.314 -41.638 1.00 25.00 C ATOM 733 O LEU A 463 -20.036 -36.107 -40.721 1.00 25.00 O ATOM 734 CB LEU A 463 -20.982 -32.984 -40.998 1.00 25.00 C ATOM 735 CG LEU A 463 -22.429 -33.416 -41.303 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.967 -34.425 -40.289 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.333 -32.206 -41.296 1.00 25.00 C ATOM 0 H LEU A 463 -19.720 -32.589 -43.104 1.00 25.00 H new ATOM 0 HA LEU A 463 -19.061 -33.815 -40.622 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.907 -32.857 -39.918 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.841 -32.000 -41.445 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.416 -33.893 -42.283 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.990 -34.695 -40.552 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.342 -35.318 -40.298 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.953 -33.983 -39.293 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -24.356 -32.515 -41.512 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -23.297 -31.730 -40.316 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -23.000 -31.498 -42.055 1.00 25.00 H new ATOM 749 N GLN A 464 -20.607 -35.692 -42.833 1.00 25.00 N ATOM 750 CA GLN A 464 -20.953 -37.094 -43.088 1.00 25.00 C ATOM 751 C GLN A 464 -19.723 -37.971 -42.875 1.00 25.00 C ATOM 752 O GLN A 464 -19.815 -39.079 -42.343 1.00 25.00 O ATOM 753 CB GLN A 464 -21.508 -37.288 -44.505 1.00 25.00 C ATOM 754 CG GLN A 464 -22.870 -36.635 -44.730 1.00 25.00 C ATOM 755 CD GLN A 464 -23.395 -36.863 -46.134 1.00 25.00 C ATOM 756 OE1 GLN A 464 -23.430 -35.960 -46.961 1.00 25.00 O ATOM 757 NE2 GLN A 464 -23.814 -38.070 -46.407 1.00 25.00 N ATOM 0 H GLN A 464 -20.734 -35.066 -43.628 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.735 -37.387 -42.387 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.797 -36.879 -45.223 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.589 -38.355 -44.710 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.584 -37.033 -44.009 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.792 -35.564 -44.544 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -23.770 -38.798 -45.694 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.185 -38.284 -47.333 1.00 25.00 H new ATOM 766 N GLY A 465 -18.571 -37.453 -43.265 1.00 25.00 N ATOM 767 CA GLY A 465 -17.324 -38.156 -43.049 1.00 25.00 C ATOM 768 C GLY A 465 -16.995 -38.161 -41.574 1.00 25.00 C ATOM 769 O GLY A 465 -16.669 -39.198 -41.021 1.00 25.00 O ATOM 0 H GLY A 465 -18.476 -36.551 -43.731 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.402 -39.179 -43.418 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.522 -37.676 -43.609 1.00 25.00 H new ATOM 773 N ALA A 466 -17.103 -37.005 -40.933 1.00 25.00 N ATOM 774 CA ALA A 466 -16.810 -36.857 -39.508 1.00 25.00 C ATOM 775 C ALA A 466 -17.586 -37.860 -38.644 1.00 25.00 C ATOM 776 O ALA A 466 -17.058 -38.393 -37.679 1.00 25.00 O ATOM 777 CB ALA A 466 -17.122 -35.431 -39.065 1.00 25.00 C ATOM 0 H ALA A 466 -17.397 -36.139 -41.385 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.750 -37.067 -39.367 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.903 -35.324 -38.003 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.510 -34.731 -39.634 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.176 -35.218 -39.241 1.00 25.00 H new ATOM 783 N GLN A 467 -18.831 -38.124 -38.997 1.00 25.00 N ATOM 784 CA GLN A 467 -19.644 -39.085 -38.252 1.00 25.00 C ATOM 785 C GLN A 467 -19.119 -40.508 -38.444 1.00 25.00 C ATOM 786 O GLN A 467 -19.032 -41.289 -37.497 1.00 25.00 O ATOM 787 CB GLN A 467 -21.077 -39.042 -38.765 1.00 25.00 C ATOM 788 CG GLN A 467 -21.812 -37.711 -38.541 1.00 25.00 C ATOM 789 CD GLN A 467 -22.168 -37.427 -37.099 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.145 -38.295 -36.244 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.510 -36.190 -36.831 1.00 25.00 N ATOM 0 H GLN A 467 -19.305 -37.692 -39.790 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.598 -38.818 -37.196 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.070 -39.260 -39.833 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.643 -39.838 -38.281 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.189 -36.899 -38.915 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.726 -37.711 -39.135 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.517 -35.491 -37.573 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.769 -35.927 -35.880 1.00 25.00 H new ATOM 800 N ALA A 468 -18.779 -40.848 -39.680 1.00 25.00 N ATOM 801 CA ALA A 468 -18.303 -42.191 -39.995 1.00 25.00 C ATOM 802 C ALA A 468 -16.951 -42.454 -39.330 1.00 25.00 C ATOM 803 O ALA A 468 -16.725 -43.517 -38.747 1.00 25.00 O ATOM 804 CB ALA A 468 -18.196 -42.361 -41.518 1.00 25.00 C ATOM 0 H ALA A 468 -18.823 -40.216 -40.479 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.017 -42.917 -39.607 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.840 -43.365 -41.748 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.176 -42.211 -41.971 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.496 -41.628 -41.918 1.00 25.00 H new ATOM 810 N VAL A 469 -16.054 -41.483 -39.404 1.00 25.00 N ATOM 811 CA VAL A 469 -14.732 -41.638 -38.806 1.00 25.00 C ATOM 812 C VAL A 469 -14.840 -41.652 -37.292 1.00 25.00 C ATOM 813 O VAL A 469 -14.056 -42.310 -36.641 1.00 25.00 O ATOM 814 CB VAL A 469 -13.708 -40.554 -39.276 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.605 -40.556 -40.800 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.090 -39.173 -38.788 1.00 25.00 C ATOM 0 H VAL A 469 -16.212 -40.588 -39.866 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.342 -42.595 -39.153 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.739 -40.805 -38.844 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.889 -39.798 -41.117 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.270 -41.536 -41.141 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.582 -40.336 -41.231 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.354 -38.448 -39.135 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.073 -38.908 -39.178 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.119 -39.167 -37.698 1.00 25.00 H new ATOM 826 N ALA A 470 -15.809 -40.942 -36.725 1.00 25.00 N ATOM 827 CA ALA A 470 -15.977 -40.906 -35.268 1.00 25.00 C ATOM 828 C ALA A 470 -16.157 -42.313 -34.693 1.00 25.00 C ATOM 829 O ALA A 470 -15.694 -42.597 -33.586 1.00 25.00 O ATOM 830 CB ALA A 470 -17.165 -40.018 -34.882 1.00 25.00 C ATOM 0 H ALA A 470 -16.488 -40.385 -37.244 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.069 -40.481 -34.841 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.272 -40.005 -33.797 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.993 -39.004 -35.242 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.076 -40.413 -35.332 1.00 25.00 H new ATOM 836 N ALA A 471 -16.804 -43.197 -35.443 1.00 25.00 N ATOM 837 CA ALA A 471 -16.978 -44.579 -35.002 1.00 25.00 C ATOM 838 C ALA A 471 -15.610 -45.273 -34.894 1.00 25.00 C ATOM 839 O ALA A 471 -15.376 -46.063 -33.982 1.00 25.00 O ATOM 840 CB ALA A 471 -17.893 -45.330 -35.975 1.00 25.00 C ATOM 0 H ALA A 471 -17.215 -42.986 -36.353 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.446 -44.584 -34.017 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -18.016 -46.359 -35.638 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.866 -44.841 -36.011 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.448 -45.325 -36.970 1.00 25.00 H new ATOM 846 N ALA A 472 -14.711 -44.966 -35.816 1.00 25.00 N ATOM 847 CA ALA A 472 -13.354 -45.504 -35.776 1.00 25.00 C ATOM 848 C ALA A 472 -12.543 -44.843 -34.652 1.00 25.00 C ATOM 849 O ALA A 472 -11.735 -45.491 -34.008 1.00 25.00 O ATOM 850 CB ALA A 472 -12.661 -45.300 -37.132 1.00 25.00 C ATOM 0 H ALA A 472 -14.894 -44.346 -36.605 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.411 -46.573 -35.572 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.650 -45.705 -37.089 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.225 -45.814 -37.910 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.615 -44.235 -37.361 1.00 25.00 H new ATOM 856 N GLN A 473 -12.756 -43.556 -34.422 1.00 25.00 N ATOM 857 CA GLN A 473 -12.019 -42.834 -33.385 1.00 25.00 C ATOM 858 C GLN A 473 -12.355 -43.346 -31.990 1.00 25.00 C ATOM 859 O GLN A 473 -11.469 -43.578 -31.172 1.00 25.00 O ATOM 860 CB GLN A 473 -12.321 -41.327 -33.428 1.00 25.00 C ATOM 861 CG GLN A 473 -11.989 -40.617 -34.745 1.00 25.00 C ATOM 862 CD GLN A 473 -10.515 -40.368 -34.965 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.672 -40.734 -34.164 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.203 -39.745 -36.071 1.00 25.00 N ATOM 0 H GLN A 473 -13.430 -42.988 -34.935 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.962 -43.007 -33.590 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.380 -41.182 -33.216 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.766 -40.841 -32.625 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.372 -41.215 -35.572 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.514 -39.662 -34.772 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.937 -39.454 -36.717 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.226 -39.550 -36.288 1.00 25.00 H new ATOM 873 N ARG A 474 -13.636 -43.538 -31.706 1.00 25.00 N ATOM 874 CA ARG A 474 -14.035 -44.055 -30.391 1.00 25.00 C ATOM 875 C ARG A 474 -13.496 -45.472 -30.216 1.00 25.00 C ATOM 876 O ARG A 474 -13.245 -45.920 -29.104 1.00 25.00 O ATOM 877 CB ARG A 474 -15.560 -44.011 -30.204 1.00 25.00 C ATOM 878 CG ARG A 474 -16.351 -44.878 -31.166 1.00 25.00 C ATOM 879 CD ARG A 474 -17.855 -44.690 -31.004 1.00 25.00 C ATOM 880 NE ARG A 474 -18.339 -45.155 -29.690 1.00 25.00 N ATOM 881 CZ ARG A 474 -18.662 -46.410 -29.389 1.00 25.00 C ATOM 882 NH1 ARG A 474 -18.567 -47.390 -30.255 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.088 -46.683 -28.186 1.00 25.00 N ATOM 0 H ARG A 474 -14.406 -43.351 -32.348 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.606 -43.415 -29.620 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.795 -44.318 -29.185 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.894 -42.979 -30.310 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.064 -44.637 -32.190 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.097 -45.925 -31.002 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.103 -43.636 -31.128 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.374 -45.234 -31.793 1.00 25.00 H new ATOM 0 HE ARG A 474 -18.434 -44.457 -28.952 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -18.235 -47.204 -31.201 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -18.825 -48.338 -29.982 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.169 -45.939 -27.493 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -19.340 -47.640 -27.939 1.00 25.00 H new ATOM 897 N LEU A 475 -13.309 -46.161 -31.331 1.00 25.00 N ATOM 898 CA LEU A 475 -12.749 -47.504 -31.325 1.00 25.00 C ATOM 899 C LEU A 475 -11.243 -47.465 -31.037 1.00 25.00 C ATOM 900 O LEU A 475 -10.778 -48.181 -30.163 1.00 25.00 O ATOM 901 CB LEU A 475 -13.043 -48.185 -32.677 1.00 25.00 C ATOM 902 CG LEU A 475 -11.962 -49.083 -33.303 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.760 -50.373 -32.486 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.342 -49.442 -34.724 1.00 25.00 C ATOM 0 H LEU A 475 -13.539 -45.808 -32.260 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.215 -48.086 -30.530 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.943 -48.788 -32.555 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.279 -47.402 -33.397 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.026 -48.524 -33.302 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -10.990 -50.984 -32.956 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.452 -50.117 -31.472 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.695 -50.932 -32.451 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.570 -50.078 -35.158 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.293 -49.975 -34.723 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.437 -48.532 -35.316 1.00 25.00 H new ATOM 916 N VAL A 476 -10.473 -46.654 -31.757 1.00 25.00 N ATOM 917 CA VAL A 476 -9.016 -46.648 -31.571 1.00 25.00 C ATOM 918 C VAL A 476 -8.687 -46.199 -30.155 1.00 25.00 C ATOM 919 O VAL A 476 -7.761 -46.709 -29.517 1.00 25.00 O ATOM 920 CB VAL A 476 -8.272 -45.791 -32.652 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.678 -44.341 -32.621 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.750 -45.923 -32.496 1.00 25.00 C ATOM 0 H VAL A 476 -10.819 -46.003 -32.462 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.650 -47.665 -31.710 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.568 -46.186 -33.624 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.132 -43.794 -33.390 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.749 -44.259 -32.808 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.447 -43.919 -31.643 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.253 -45.320 -33.256 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.454 -45.575 -31.506 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.461 -46.967 -32.615 1.00 25.00 H new ATOM 932 N HIS A 477 -9.473 -45.265 -29.653 1.00 25.00 N ATOM 933 CA HIS A 477 -9.305 -44.767 -28.315 1.00 25.00 C ATOM 934 C HIS A 477 -9.519 -45.886 -27.309 1.00 25.00 C ATOM 935 O HIS A 477 -8.836 -45.942 -26.303 1.00 25.00 O ATOM 936 CB HIS A 477 -10.299 -43.640 -28.073 1.00 25.00 C ATOM 937 CG HIS A 477 -10.055 -42.902 -26.797 1.00 25.00 C ATOM 938 ND1 HIS A 477 -11.009 -42.202 -26.102 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.917 -42.766 -26.068 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.436 -41.689 -25.014 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.159 -42.002 -24.944 1.00 25.00 N ATOM 0 H HIS A 477 -10.243 -44.835 -30.166 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.291 -44.386 -28.193 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.252 -42.938 -28.906 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.308 -44.051 -28.060 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.961 -43.194 -26.330 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.955 -41.090 -24.280 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.494 -41.738 -24.218 1.00 25.00 H new ATOM 949 N ALA A 478 -10.452 -46.789 -27.581 1.00 25.00 N ATOM 950 CA ALA A 478 -10.722 -47.881 -26.659 1.00 25.00 C ATOM 951 C ALA A 478 -9.458 -48.714 -26.436 1.00 25.00 C ATOM 952 O ALA A 478 -9.125 -49.044 -25.305 1.00 25.00 O ATOM 953 CB ALA A 478 -11.861 -48.759 -27.185 1.00 25.00 C ATOM 0 H ALA A 478 -11.028 -46.787 -28.423 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.030 -47.459 -25.702 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.049 -49.571 -26.482 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.763 -48.157 -27.294 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.583 -49.175 -28.153 1.00 25.00 H new ATOM 959 N ILE A 479 -8.747 -49.044 -27.505 1.00 25.00 N ATOM 960 CA ILE A 479 -7.538 -49.861 -27.372 1.00 25.00 C ATOM 961 C ILE A 479 -6.438 -49.052 -26.707 1.00 25.00 C ATOM 962 O ILE A 479 -5.660 -49.581 -25.930 1.00 25.00 O ATOM 963 CB ILE A 479 -7.011 -50.374 -28.730 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.132 -51.072 -29.507 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.844 -51.369 -28.531 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.405 -50.393 -30.787 1.00 25.00 C ATOM 0 H ILE A 479 -8.976 -48.767 -28.460 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.812 -50.724 -26.766 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.653 -49.512 -29.293 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.854 -52.109 -29.696 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.039 -51.090 -28.903 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.491 -51.715 -29.503 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.029 -50.873 -28.005 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.188 -52.221 -27.945 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.205 -50.914 -31.312 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.707 -49.363 -30.595 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.504 -50.398 -31.401 1.00 25.00 H new ATOM 978 N ALA A 480 -6.387 -47.761 -26.997 1.00 25.00 N ATOM 979 CA ALA A 480 -5.378 -46.885 -26.412 1.00 25.00 C ATOM 980 C ALA A 480 -5.498 -46.904 -24.878 1.00 25.00 C ATOM 981 O ALA A 480 -4.523 -46.700 -24.156 1.00 25.00 O ATOM 982 CB ALA A 480 -5.550 -45.456 -26.967 1.00 25.00 C ATOM 0 H ALA A 480 -7.032 -47.294 -27.634 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.382 -47.239 -26.679 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.796 -44.802 -26.529 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.433 -45.470 -28.051 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.543 -45.084 -26.714 1.00 25.00 H new ATOM 988 N LEU A 481 -6.698 -47.161 -24.383 1.00 25.00 N ATOM 989 CA LEU A 481 -6.915 -47.280 -22.937 1.00 25.00 C ATOM 990 C LEU A 481 -6.456 -48.628 -22.455 1.00 25.00 C ATOM 991 O LEU A 481 -5.810 -48.746 -21.430 1.00 25.00 O ATOM 992 CB LEU A 481 -8.377 -47.082 -22.577 1.00 25.00 C ATOM 993 CG LEU A 481 -8.831 -45.711 -23.048 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.335 -45.722 -23.246 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.422 -44.601 -22.088 1.00 25.00 C ATOM 0 H LEU A 481 -7.536 -47.292 -24.950 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.334 -46.498 -22.449 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.986 -47.858 -23.041 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.513 -47.172 -21.499 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.335 -45.499 -23.995 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.665 -44.740 -23.584 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.598 -46.470 -23.994 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.824 -45.964 -22.303 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.771 -43.642 -22.471 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.866 -44.784 -21.110 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.336 -44.582 -21.996 1.00 25.00 H new ATOM 1007 N MET A 482 -6.785 -49.660 -23.210 1.00 25.00 N ATOM 1008 CA MET A 482 -6.413 -51.019 -22.834 1.00 25.00 C ATOM 1009 C MET A 482 -4.927 -51.187 -22.743 1.00 25.00 C ATOM 1010 O MET A 482 -4.439 -52.031 -22.002 1.00 25.00 O ATOM 1011 CB MET A 482 -6.946 -52.027 -23.847 1.00 25.00 C ATOM 1012 CG MET A 482 -8.411 -51.956 -23.934 1.00 25.00 C ATOM 1013 SD MET A 482 -9.192 -53.464 -24.528 1.00 25.00 S ATOM 1014 CE MET A 482 -8.979 -53.283 -26.297 1.00 25.00 C ATOM 0 H MET A 482 -7.306 -49.588 -24.084 1.00 25.00 H new ATOM 0 HA MET A 482 -6.854 -51.200 -21.854 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.509 -51.831 -24.826 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.643 -53.034 -23.559 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.811 -51.718 -22.948 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.684 -51.134 -24.596 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.414 -54.143 -26.806 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.477 -52.373 -26.632 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.916 -53.222 -26.531 1.00 25.00 H new ATOM 1024 N THR A 483 -4.193 -50.387 -23.486 1.00 25.00 N ATOM 1025 CA THR A 483 -2.746 -50.568 -23.497 1.00 25.00 C ATOM 1026 C THR A 483 -2.142 -49.974 -22.235 1.00 25.00 C ATOM 1027 O THR A 483 -1.216 -50.540 -21.653 1.00 25.00 O ATOM 1028 CB THR A 483 -2.125 -49.983 -24.763 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.538 -48.627 -24.913 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.598 -50.772 -25.986 1.00 25.00 C ATOM 0 H THR A 483 -4.550 -49.631 -24.071 1.00 25.00 H new ATOM 0 HA THR A 483 -2.523 -51.635 -23.507 1.00 25.00 H new ATOM 0 HB THR A 483 -1.040 -50.040 -24.682 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.138 -48.251 -25.725 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.152 -50.350 -26.886 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.296 -51.814 -25.886 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.684 -50.714 -26.058 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.679 -48.849 -21.784 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.183 -48.222 -20.561 1.00 25.00 C ATOM 1040 C GLN A 484 -2.781 -48.881 -19.315 1.00 25.00 C ATOM 1041 O GLN A 484 -2.184 -48.828 -18.241 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.437 -46.706 -20.572 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.892 -46.300 -20.683 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.060 -44.813 -20.842 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.937 -44.060 -19.891 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.339 -44.381 -22.043 1.00 25.00 N ATOM 0 H GLN A 484 -3.448 -48.355 -22.237 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.104 -48.375 -20.524 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -2.025 -46.277 -19.658 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.889 -46.267 -21.406 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.344 -46.808 -21.535 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.428 -46.631 -19.793 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.434 -45.042 -22.814 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.462 -43.382 -22.210 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.939 -49.517 -19.440 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.523 -50.235 -18.324 1.00 25.00 C ATOM 1057 C PHE A 485 -3.853 -51.594 -18.169 1.00 25.00 C ATOM 1058 O PHE A 485 -3.623 -52.047 -17.056 1.00 25.00 O ATOM 1059 CB PHE A 485 -6.022 -50.420 -18.534 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.860 -49.362 -17.859 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.463 -49.625 -16.616 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.042 -48.096 -18.450 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.246 -48.637 -15.965 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.818 -47.100 -17.809 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.422 -47.372 -16.564 1.00 25.00 C ATOM 0 H PHE A 485 -4.487 -49.548 -20.300 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.365 -49.651 -17.417 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.235 -50.413 -19.603 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.315 -51.400 -18.157 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -7.328 -50.591 -16.151 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.584 -47.882 -19.404 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.707 -48.853 -15.012 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.947 -46.133 -18.273 1.00 25.00 H new ATOM 0 HZ PHE A 485 -9.016 -46.616 -16.072 1.00 25.00 H new