USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=6 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 148:sc= -0.342 (180deg=-0.705) USER MOD Single : A 433 MET CE :methyl -162:sc= -0.067 (180deg=-0.592) USER MOD Single : A 434 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 436 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 464 GLN : amide:sc= -0.0205 X(o=-0.021,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 473 GLN : amide:sc=-0.00229 K(o=-0.0023,f=-0.84) USER MOD Single : A 477 HIS : no HE2:sc= 0.311 K(o=0.31,f=-1.2) USER MOD Single : A 482 MET CE :methyl 180:sc=-0.00329 (180deg=-0.00329) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.489 X(o=0.49,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -13.187 -36.889 -28.963 1.00 25.00 N ATOM 114 CA GLU A 419 -14.532 -36.552 -28.505 1.00 25.00 C ATOM 115 C GLU A 419 -14.835 -35.079 -28.793 1.00 25.00 C ATOM 116 O GLU A 419 -15.937 -34.740 -29.166 1.00 25.00 O ATOM 117 CB GLU A 419 -14.687 -36.827 -27.001 1.00 25.00 C ATOM 118 CG GLU A 419 -13.908 -38.048 -26.465 1.00 25.00 C ATOM 119 CD GLU A 419 -14.210 -39.367 -27.182 1.00 25.00 C ATOM 120 OE1 GLU A 419 -15.391 -39.691 -27.429 1.00 25.00 O ATOM 121 OE2 GLU A 419 -13.227 -40.092 -27.487 1.00 25.00 O ATOM 0 HA GLU A 419 -15.239 -37.180 -29.047 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -14.364 -35.942 -26.452 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -15.745 -36.969 -26.782 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -12.840 -37.844 -26.544 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -14.132 -38.167 -25.405 1.00 25.00 H new ATOM 128 N VAL A 420 -13.841 -34.210 -28.632 1.00 25.00 N ATOM 129 CA VAL A 420 -13.998 -32.775 -28.917 1.00 25.00 C ATOM 130 C VAL A 420 -14.342 -32.559 -30.391 1.00 25.00 C ATOM 131 O VAL A 420 -15.116 -31.671 -30.736 1.00 25.00 O ATOM 132 CB VAL A 420 -12.690 -31.986 -28.561 1.00 25.00 C ATOM 133 CG1 VAL A 420 -12.744 -30.524 -29.047 1.00 25.00 C ATOM 134 CG2 VAL A 420 -12.466 -31.994 -27.050 1.00 25.00 C ATOM 0 H VAL A 420 -12.911 -34.470 -28.304 1.00 25.00 H new ATOM 0 HA VAL A 420 -14.813 -32.398 -28.298 1.00 25.00 H new ATOM 0 HB VAL A 420 -11.867 -32.487 -29.070 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -11.817 -30.017 -28.778 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -12.867 -30.505 -30.130 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -13.585 -30.015 -28.577 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -11.555 -31.443 -26.814 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -13.314 -31.522 -26.554 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -12.369 -33.022 -26.702 1.00 25.00 H new ATOM 144 N SER A 421 -13.782 -33.379 -31.266 1.00 25.00 N ATOM 145 CA SER A 421 -14.060 -33.246 -32.692 1.00 25.00 C ATOM 146 C SER A 421 -15.533 -33.533 -32.985 1.00 25.00 C ATOM 147 O SER A 421 -16.161 -32.849 -33.790 1.00 25.00 O ATOM 148 CB SER A 421 -13.179 -34.205 -33.487 1.00 25.00 C ATOM 149 OG SER A 421 -11.802 -33.956 -33.229 1.00 25.00 O ATOM 0 H SER A 421 -13.141 -34.134 -31.022 1.00 25.00 H new ATOM 0 HA SER A 421 -13.839 -32.221 -32.991 1.00 25.00 H new ATOM 0 HB2 SER A 421 -13.423 -35.234 -33.223 1.00 25.00 H new ATOM 0 HB3 SER A 421 -13.380 -34.093 -34.552 1.00 25.00 H new ATOM 0 HG SER A 421 -11.254 -34.582 -33.747 1.00 25.00 H new ATOM 155 N ASP A 422 -16.080 -34.541 -32.322 1.00 25.00 N ATOM 156 CA ASP A 422 -17.490 -34.903 -32.492 1.00 25.00 C ATOM 157 C ASP A 422 -18.383 -33.908 -31.758 1.00 25.00 C ATOM 158 O ASP A 422 -19.503 -33.632 -32.169 1.00 25.00 O ATOM 159 CB ASP A 422 -17.721 -36.325 -31.969 1.00 25.00 C ATOM 160 CG ASP A 422 -18.920 -37.009 -32.621 1.00 25.00 C ATOM 161 OD1 ASP A 422 -19.446 -37.969 -32.013 1.00 25.00 O ATOM 162 OD2 ASP A 422 -19.320 -36.613 -33.740 1.00 25.00 O ATOM 0 H ASP A 422 -15.573 -35.127 -31.659 1.00 25.00 H new ATOM 0 HA ASP A 422 -17.745 -34.871 -33.551 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -16.827 -36.922 -32.147 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -17.871 -36.290 -30.890 1.00 25.00 H new ATOM 167 N MET A 423 -17.864 -33.352 -30.673 1.00 25.00 N ATOM 168 CA MET A 423 -18.590 -32.357 -29.887 1.00 25.00 C ATOM 169 C MET A 423 -18.850 -31.125 -30.749 1.00 25.00 C ATOM 170 O MET A 423 -19.941 -30.581 -30.743 1.00 25.00 O ATOM 171 CB MET A 423 -17.794 -31.987 -28.634 1.00 25.00 C ATOM 172 CG MET A 423 -18.495 -31.015 -27.698 1.00 25.00 C ATOM 173 SD MET A 423 -17.538 -30.779 -26.168 1.00 25.00 S ATOM 174 CE MET A 423 -16.064 -29.939 -26.781 1.00 25.00 C ATOM 0 H MET A 423 -16.936 -33.573 -30.312 1.00 25.00 H new ATOM 0 HA MET A 423 -19.545 -32.773 -29.567 1.00 25.00 H new ATOM 0 HB2 MET A 423 -17.565 -32.899 -28.083 1.00 25.00 H new ATOM 0 HB3 MET A 423 -16.842 -31.553 -28.940 1.00 25.00 H new ATOM 0 HG2 MET A 423 -18.630 -30.056 -28.198 1.00 25.00 H new ATOM 0 HG3 MET A 423 -19.489 -31.391 -27.455 1.00 25.00 H new ATOM 0 HE1 MET A 423 -15.690 -29.257 -26.017 1.00 25.00 H new ATOM 0 HE2 MET A 423 -15.297 -30.676 -27.017 1.00 25.00 H new ATOM 0 HE3 MET A 423 -16.314 -29.375 -27.680 1.00 25.00 H new ATOM 184 N ALA A 424 -17.853 -30.705 -31.512 1.00 25.00 N ATOM 185 CA ALA A 424 -18.013 -29.550 -32.391 1.00 25.00 C ATOM 186 C ALA A 424 -19.048 -29.848 -33.487 1.00 25.00 C ATOM 187 O ALA A 424 -19.772 -28.959 -33.942 1.00 25.00 O ATOM 188 CB ALA A 424 -16.660 -29.185 -33.014 1.00 25.00 C ATOM 0 H ALA A 424 -16.931 -31.140 -31.543 1.00 25.00 H new ATOM 0 HA ALA A 424 -18.373 -28.704 -31.805 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -16.782 -28.323 -33.670 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -15.949 -28.942 -32.224 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -16.286 -30.030 -33.592 1.00 25.00 H new ATOM 194 N ALA A 425 -19.108 -31.101 -33.916 1.00 25.00 N ATOM 195 CA ALA A 425 -20.041 -31.502 -34.961 1.00 25.00 C ATOM 196 C ALA A 425 -21.485 -31.489 -34.446 1.00 25.00 C ATOM 197 O ALA A 425 -22.389 -31.006 -35.127 1.00 25.00 O ATOM 198 CB ALA A 425 -19.675 -32.900 -35.485 1.00 25.00 C ATOM 0 H ALA A 425 -18.523 -31.856 -33.558 1.00 25.00 H new ATOM 0 HA ALA A 425 -19.968 -30.784 -35.778 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -20.378 -33.191 -36.266 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -18.665 -32.882 -35.894 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -19.723 -33.619 -34.667 1.00 25.00 H new ATOM 204 N VAL A 426 -21.705 -32.026 -33.254 1.00 25.00 N ATOM 205 CA VAL A 426 -23.049 -32.074 -32.684 1.00 25.00 C ATOM 206 C VAL A 426 -23.500 -30.684 -32.261 1.00 25.00 C ATOM 207 O VAL A 426 -24.666 -30.352 -32.370 1.00 25.00 O ATOM 208 CB VAL A 426 -23.133 -33.103 -31.525 1.00 25.00 C ATOM 209 CG1 VAL A 426 -22.323 -32.699 -30.314 1.00 25.00 C ATOM 210 CG2 VAL A 426 -24.579 -33.359 -31.137 1.00 25.00 C ATOM 0 H VAL A 426 -20.978 -32.432 -32.665 1.00 25.00 H new ATOM 0 HA VAL A 426 -23.740 -32.418 -33.454 1.00 25.00 H new ATOM 0 HB VAL A 426 -22.694 -34.027 -31.901 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -22.423 -33.459 -29.539 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -21.274 -32.602 -30.594 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -22.687 -31.744 -29.935 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -24.615 -34.083 -30.323 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -25.039 -32.426 -30.813 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -25.122 -33.752 -31.996 1.00 25.00 H new ATOM 220 N GLU A 427 -22.569 -29.862 -31.815 1.00 25.00 N ATOM 221 CA GLU A 427 -22.877 -28.466 -31.475 1.00 25.00 C ATOM 222 C GLU A 427 -23.464 -27.766 -32.703 1.00 25.00 C ATOM 223 O GLU A 427 -24.454 -27.043 -32.608 1.00 25.00 O ATOM 224 CB GLU A 427 -21.618 -27.717 -31.021 1.00 25.00 C ATOM 225 CG GLU A 427 -21.323 -27.833 -29.527 1.00 25.00 C ATOM 226 CD GLU A 427 -20.059 -27.071 -29.126 1.00 25.00 C ATOM 227 OE1 GLU A 427 -18.952 -27.443 -29.584 1.00 25.00 O ATOM 228 OE2 GLU A 427 -20.171 -26.102 -28.340 1.00 25.00 O ATOM 0 H GLU A 427 -21.593 -30.126 -31.676 1.00 25.00 H new ATOM 0 HA GLU A 427 -23.596 -28.461 -30.656 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -20.762 -28.097 -31.579 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -21.724 -26.663 -31.278 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -22.171 -27.449 -28.960 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -21.211 -28.884 -29.261 1.00 25.00 H new ATOM 235 N ALA A 428 -22.863 -27.993 -33.863 1.00 25.00 N ATOM 236 CA ALA A 428 -23.360 -27.400 -35.102 1.00 25.00 C ATOM 237 C ALA A 428 -24.744 -27.965 -35.463 1.00 25.00 C ATOM 238 O ALA A 428 -25.603 -27.247 -35.979 1.00 25.00 O ATOM 239 CB ALA A 428 -22.363 -27.655 -36.238 1.00 25.00 C ATOM 0 H ALA A 428 -22.036 -28.579 -33.975 1.00 25.00 H new ATOM 0 HA ALA A 428 -23.464 -26.325 -34.956 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -22.739 -27.210 -37.159 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -21.402 -27.208 -35.986 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -22.238 -28.729 -36.378 1.00 25.00 H new ATOM 245 N ALA A 429 -24.953 -29.245 -35.186 1.00 25.00 N ATOM 246 CA ALA A 429 -26.233 -29.891 -35.468 1.00 25.00 C ATOM 247 C ALA A 429 -27.332 -29.308 -34.572 1.00 25.00 C ATOM 248 O ALA A 429 -28.442 -29.058 -35.026 1.00 25.00 O ATOM 249 CB ALA A 429 -26.118 -31.408 -35.261 1.00 25.00 C ATOM 0 H ALA A 429 -24.254 -29.859 -34.766 1.00 25.00 H new ATOM 0 HA ALA A 429 -26.500 -29.702 -36.508 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -27.078 -31.878 -35.474 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -25.360 -31.810 -35.933 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -25.834 -31.614 -34.229 1.00 25.00 H new ATOM 255 N GLU A 430 -27.018 -29.082 -33.305 1.00 25.00 N ATOM 256 CA GLU A 430 -27.980 -28.507 -32.365 1.00 25.00 C ATOM 257 C GLU A 430 -28.354 -27.118 -32.830 1.00 25.00 C ATOM 258 O GLU A 430 -29.521 -26.741 -32.837 1.00 25.00 O ATOM 259 CB GLU A 430 -27.374 -28.403 -30.966 1.00 25.00 C ATOM 260 CG GLU A 430 -27.144 -29.732 -30.291 1.00 25.00 C ATOM 261 CD GLU A 430 -28.343 -30.184 -29.466 1.00 25.00 C ATOM 262 OE1 GLU A 430 -29.416 -30.439 -30.059 1.00 25.00 O ATOM 263 OE2 GLU A 430 -28.212 -30.295 -28.228 1.00 25.00 O ATOM 0 H GLU A 430 -26.105 -29.287 -32.900 1.00 25.00 H new ATOM 0 HA GLU A 430 -28.857 -29.153 -32.327 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -26.424 -27.873 -31.032 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -28.033 -27.800 -30.341 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -26.922 -30.486 -31.046 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -26.269 -29.661 -29.645 1.00 25.00 H new ATOM 270 N LEU A 431 -27.354 -26.354 -33.236 1.00 25.00 N ATOM 271 CA LEU A 431 -27.587 -24.995 -33.723 1.00 25.00 C ATOM 272 C LEU A 431 -28.507 -24.969 -34.945 1.00 25.00 C ATOM 273 O LEU A 431 -29.410 -24.130 -35.019 1.00 25.00 O ATOM 274 CB LEU A 431 -26.258 -24.310 -34.060 1.00 25.00 C ATOM 275 CG LEU A 431 -25.431 -23.838 -32.852 1.00 25.00 C ATOM 276 CD1 LEU A 431 -24.029 -23.451 -33.313 1.00 25.00 C ATOM 277 CD2 LEU A 431 -26.094 -22.641 -32.153 1.00 25.00 C ATOM 0 H LEU A 431 -26.376 -26.645 -33.240 1.00 25.00 H new ATOM 0 HA LEU A 431 -28.084 -24.450 -32.921 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -25.652 -25.001 -34.646 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -26.464 -23.449 -34.696 1.00 25.00 H new ATOM 0 HG LEU A 431 -25.374 -24.659 -32.137 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -23.444 -23.117 -32.456 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -23.545 -24.315 -33.769 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -24.096 -22.645 -34.044 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -25.484 -22.332 -31.304 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -26.183 -21.813 -32.856 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -27.085 -22.928 -31.803 1.00 25.00 H new ATOM 289 N GLU A 432 -28.315 -25.866 -35.902 1.00 25.00 N ATOM 290 CA GLU A 432 -29.204 -25.870 -37.067 1.00 25.00 C ATOM 291 C GLU A 432 -30.585 -26.425 -36.698 1.00 25.00 C ATOM 292 O GLU A 432 -31.589 -25.987 -37.251 1.00 25.00 O ATOM 293 CB GLU A 432 -28.595 -26.560 -38.303 1.00 25.00 C ATOM 294 CG GLU A 432 -28.489 -28.078 -38.271 1.00 25.00 C ATOM 295 CD GLU A 432 -27.923 -28.643 -39.583 1.00 25.00 C ATOM 296 OE1 GLU A 432 -27.793 -27.875 -40.571 1.00 25.00 O ATOM 297 OE2 GLU A 432 -27.619 -29.854 -39.631 1.00 25.00 O ATOM 0 H GLU A 432 -27.583 -26.577 -35.904 1.00 25.00 H new ATOM 0 HA GLU A 432 -29.334 -24.830 -37.368 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -29.190 -26.281 -39.173 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -27.595 -26.155 -38.458 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -27.850 -28.379 -37.441 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -29.474 -28.506 -38.087 1.00 25.00 H new ATOM 304 N MET A 433 -30.662 -27.360 -35.758 1.00 25.00 N ATOM 305 CA MET A 433 -31.963 -27.865 -35.300 1.00 25.00 C ATOM 306 C MET A 433 -32.725 -26.783 -34.544 1.00 25.00 C ATOM 307 O MET A 433 -33.955 -26.734 -34.596 1.00 25.00 O ATOM 308 CB MET A 433 -31.807 -29.090 -34.397 1.00 25.00 C ATOM 309 CG MET A 433 -31.544 -30.369 -35.172 1.00 25.00 C ATOM 310 SD MET A 433 -31.602 -31.852 -34.132 1.00 25.00 S ATOM 311 CE MET A 433 -30.111 -31.667 -33.126 1.00 25.00 C ATOM 0 H MET A 433 -29.855 -27.783 -35.300 1.00 25.00 H new ATOM 0 HA MET A 433 -32.523 -28.155 -36.189 1.00 25.00 H new ATOM 0 HB2 MET A 433 -30.986 -28.919 -33.700 1.00 25.00 H new ATOM 0 HB3 MET A 433 -32.711 -29.212 -33.801 1.00 25.00 H new ATOM 0 HG2 MET A 433 -32.281 -30.462 -35.969 1.00 25.00 H new ATOM 0 HG3 MET A 433 -30.566 -30.304 -35.648 1.00 25.00 H new ATOM 0 HE1 MET A 433 -29.848 -32.628 -32.685 1.00 25.00 H new ATOM 0 HE2 MET A 433 -29.290 -31.319 -33.753 1.00 25.00 H new ATOM 0 HE3 MET A 433 -30.295 -30.942 -32.333 1.00 25.00 H new ATOM 321 N THR A 434 -32.005 -25.909 -33.855 1.00 25.00 N ATOM 322 CA THR A 434 -32.617 -24.826 -33.080 1.00 25.00 C ATOM 323 C THR A 434 -33.519 -23.957 -33.955 1.00 25.00 C ATOM 324 O THR A 434 -34.613 -23.581 -33.546 1.00 25.00 O ATOM 325 CB THR A 434 -31.538 -23.931 -32.401 1.00 25.00 C ATOM 326 OG1 THR A 434 -30.736 -24.727 -31.527 1.00 25.00 O ATOM 327 CG2 THR A 434 -32.166 -22.835 -31.556 1.00 25.00 C ATOM 0 H THR A 434 -30.986 -25.925 -33.814 1.00 25.00 H new ATOM 0 HA THR A 434 -33.222 -25.297 -32.305 1.00 25.00 H new ATOM 0 HB THR A 434 -30.945 -23.484 -33.198 1.00 25.00 H new ATOM 0 HG1 THR A 434 -30.133 -25.289 -32.057 1.00 25.00 H new ATOM 0 HG21 THR A 434 -31.381 -22.233 -31.099 1.00 25.00 H new ATOM 0 HG22 THR A 434 -32.789 -22.201 -32.187 1.00 25.00 H new ATOM 0 HG23 THR A 434 -32.779 -23.284 -30.775 1.00 25.00 H new ATOM 335 N ARG A 435 -33.098 -23.633 -35.169 1.00 25.00 N ATOM 336 CA ARG A 435 -33.944 -22.774 -36.007 1.00 25.00 C ATOM 337 C ARG A 435 -35.204 -23.510 -36.450 1.00 25.00 C ATOM 338 O ARG A 435 -36.219 -22.886 -36.703 1.00 25.00 O ATOM 339 CB ARG A 435 -33.169 -22.180 -37.201 1.00 25.00 C ATOM 340 CG ARG A 435 -32.896 -23.129 -38.374 1.00 25.00 C ATOM 341 CD ARG A 435 -33.981 -23.081 -39.456 1.00 25.00 C ATOM 342 NE ARG A 435 -34.039 -21.788 -40.152 1.00 25.00 N ATOM 343 CZ ARG A 435 -34.817 -21.519 -41.193 1.00 25.00 C ATOM 344 NH1 ARG A 435 -35.624 -22.412 -41.715 1.00 25.00 N ATOM 345 NH2 ARG A 435 -34.775 -20.331 -41.724 1.00 25.00 N ATOM 0 H ARG A 435 -32.218 -23.932 -35.588 1.00 25.00 H new ATOM 0 HA ARG A 435 -34.257 -21.928 -35.395 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -33.726 -21.322 -37.578 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -32.213 -21.804 -36.836 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -31.935 -22.876 -38.821 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -32.813 -24.148 -37.997 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -33.796 -23.871 -40.184 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -34.950 -23.287 -39.001 1.00 25.00 H new ATOM 0 HE ARG A 435 -33.436 -21.041 -39.809 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -35.669 -23.351 -41.320 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -36.207 -22.167 -42.515 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -34.150 -19.622 -41.340 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -35.367 -20.109 -42.524 1.00 25.00 H new ATOM 359 N GLN A 436 -35.148 -24.832 -36.542 1.00 25.00 N ATOM 360 CA GLN A 436 -36.324 -25.601 -36.946 1.00 25.00 C ATOM 361 C GLN A 436 -37.352 -25.624 -35.818 1.00 25.00 C ATOM 362 O GLN A 436 -38.541 -25.439 -36.046 1.00 25.00 O ATOM 363 CB GLN A 436 -35.973 -27.052 -37.324 1.00 25.00 C ATOM 364 CG GLN A 436 -34.640 -27.267 -38.055 1.00 25.00 C ATOM 365 CD GLN A 436 -34.519 -26.571 -39.401 1.00 25.00 C ATOM 366 OE1 GLN A 436 -35.478 -26.055 -39.962 1.00 25.00 O ATOM 367 NE2 GLN A 436 -33.320 -26.554 -39.923 1.00 25.00 N ATOM 0 H GLN A 436 -34.317 -25.390 -36.347 1.00 25.00 H new ATOM 0 HA GLN A 436 -36.735 -25.107 -37.827 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -35.962 -27.649 -36.412 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -36.773 -27.444 -37.952 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -33.831 -26.921 -37.411 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -34.494 -28.337 -38.203 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -32.543 -26.993 -39.430 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -33.162 -26.102 -40.823 1.00 25.00 H new ATOM 376 N VAL A 437 -36.890 -25.865 -34.597 1.00 25.00 N ATOM 377 CA VAL A 437 -37.799 -25.995 -33.453 1.00 25.00 C ATOM 378 C VAL A 437 -38.451 -24.678 -33.063 1.00 25.00 C ATOM 379 O VAL A 437 -39.585 -24.652 -32.608 1.00 25.00 O ATOM 380 CB VAL A 437 -37.096 -26.616 -32.215 1.00 25.00 C ATOM 381 CG1 VAL A 437 -36.667 -28.065 -32.525 1.00 25.00 C ATOM 382 CG2 VAL A 437 -35.888 -25.831 -31.765 1.00 25.00 C ATOM 0 H VAL A 437 -35.902 -25.974 -34.369 1.00 25.00 H new ATOM 0 HA VAL A 437 -38.585 -26.673 -33.787 1.00 25.00 H new ATOM 0 HB VAL A 437 -37.822 -26.594 -31.403 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -36.175 -28.493 -31.652 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -37.546 -28.659 -32.774 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -35.977 -28.067 -33.368 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -35.442 -26.316 -30.897 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -35.158 -25.791 -32.574 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -36.191 -24.818 -31.499 1.00 25.00 H new ATOM 392 N LEU A 438 -37.738 -23.587 -33.267 1.00 25.00 N ATOM 393 CA LEU A 438 -38.271 -22.246 -33.003 1.00 25.00 C ATOM 394 C LEU A 438 -39.370 -21.856 -33.995 1.00 25.00 C ATOM 395 O LEU A 438 -40.084 -20.884 -33.778 1.00 25.00 O ATOM 396 CB LEU A 438 -37.151 -21.202 -33.063 1.00 25.00 C ATOM 397 CG LEU A 438 -36.152 -21.203 -31.892 1.00 25.00 C ATOM 398 CD1 LEU A 438 -35.029 -20.211 -32.193 1.00 25.00 C ATOM 399 CD2 LEU A 438 -36.824 -20.838 -30.566 1.00 25.00 C ATOM 0 H LEU A 438 -36.780 -23.594 -33.617 1.00 25.00 H new ATOM 0 HA LEU A 438 -38.705 -22.271 -32.003 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -36.594 -21.351 -33.988 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -37.608 -20.214 -33.122 1.00 25.00 H new ATOM 0 HG LEU A 438 -35.751 -22.211 -31.788 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -34.317 -20.206 -31.368 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -34.519 -20.506 -33.110 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -35.449 -19.213 -32.316 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -36.083 -20.851 -29.767 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -37.260 -19.842 -30.641 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -37.609 -21.561 -30.345 1.00 25.00 H new ATOM 720 N ALA A 462 -17.924 -33.036 -45.367 1.00 25.00 N ATOM 721 CA ALA A 462 -16.926 -33.158 -44.315 1.00 25.00 C ATOM 722 C ALA A 462 -17.535 -33.748 -43.033 1.00 25.00 C ATOM 723 O ALA A 462 -16.965 -34.665 -42.455 1.00 25.00 O ATOM 724 CB ALA A 462 -16.306 -31.791 -44.027 1.00 25.00 C ATOM 0 HA ALA A 462 -16.149 -33.841 -44.659 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.560 -31.889 -43.239 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -15.831 -31.409 -44.931 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.084 -31.099 -43.706 1.00 25.00 H new ATOM 730 N LEU A 463 -18.673 -33.226 -42.586 1.00 25.00 N ATOM 731 CA LEU A 463 -19.293 -33.713 -41.350 1.00 25.00 C ATOM 732 C LEU A 463 -19.776 -35.153 -41.501 1.00 25.00 C ATOM 733 O LEU A 463 -19.650 -35.939 -40.580 1.00 25.00 O ATOM 734 CB LEU A 463 -20.415 -32.769 -40.868 1.00 25.00 C ATOM 735 CG LEU A 463 -21.858 -32.894 -41.397 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.690 -33.886 -40.577 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.522 -31.524 -41.348 1.00 25.00 C ATOM 0 H LEU A 463 -19.182 -32.475 -43.052 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.528 -33.713 -40.574 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.466 -32.866 -39.784 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.087 -31.752 -41.082 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.810 -33.268 -42.420 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.699 -33.941 -40.987 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.227 -34.872 -40.620 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.737 -33.552 -39.541 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.544 -31.601 -41.720 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.537 -31.163 -40.319 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -21.961 -30.826 -41.969 1.00 25.00 H new ATOM 749 N GLN A 464 -20.296 -35.521 -42.663 1.00 25.00 N ATOM 750 CA GLN A 464 -20.713 -36.906 -42.887 1.00 25.00 C ATOM 751 C GLN A 464 -19.519 -37.842 -42.740 1.00 25.00 C ATOM 752 O GLN A 464 -19.645 -38.964 -42.261 1.00 25.00 O ATOM 753 CB GLN A 464 -21.348 -37.047 -44.265 1.00 25.00 C ATOM 754 CG GLN A 464 -22.705 -36.384 -44.323 1.00 25.00 C ATOM 755 CD GLN A 464 -23.385 -36.579 -45.640 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.891 -36.197 -46.697 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.526 -37.187 -45.587 1.00 25.00 N ATOM 0 H GLN A 464 -20.439 -34.895 -43.456 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.457 -37.180 -42.139 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.693 -36.603 -45.015 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.448 -38.104 -44.514 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.336 -36.786 -43.530 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.592 -35.317 -44.131 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.902 -37.489 -44.688 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -25.049 -37.365 -46.444 1.00 25.00 H new ATOM 766 N GLY A 465 -18.354 -37.354 -43.132 1.00 25.00 N ATOM 767 CA GLY A 465 -17.135 -38.109 -42.968 1.00 25.00 C ATOM 768 C GLY A 465 -16.775 -38.152 -41.499 1.00 25.00 C ATOM 769 O GLY A 465 -16.491 -39.214 -40.981 1.00 25.00 O ATOM 0 H GLY A 465 -18.232 -36.439 -43.565 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.264 -39.120 -43.354 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.328 -37.650 -43.540 1.00 25.00 H new ATOM 773 N ALA A 466 -16.803 -37.006 -40.833 1.00 25.00 N ATOM 774 CA ALA A 466 -16.443 -36.896 -39.416 1.00 25.00 C ATOM 775 C ALA A 466 -17.238 -37.877 -38.529 1.00 25.00 C ATOM 776 O ALA A 466 -16.700 -38.446 -37.608 1.00 25.00 O ATOM 777 CB ALA A 466 -16.700 -35.453 -38.929 1.00 25.00 C ATOM 0 H ALA A 466 -17.076 -36.120 -41.257 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.387 -37.151 -39.329 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.432 -35.371 -37.876 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.095 -34.759 -39.512 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.755 -35.209 -39.055 1.00 25.00 H new ATOM 783 N GLN A 467 -18.510 -38.047 -38.847 1.00 25.00 N ATOM 784 CA GLN A 467 -19.364 -38.934 -38.098 1.00 25.00 C ATOM 785 C GLN A 467 -19.080 -40.386 -38.337 1.00 25.00 C ATOM 786 O GLN A 467 -19.090 -41.213 -37.442 1.00 25.00 O ATOM 787 CB GLN A 467 -20.778 -38.562 -38.441 1.00 25.00 C ATOM 788 CG GLN A 467 -21.049 -37.206 -37.911 1.00 25.00 C ATOM 789 CD GLN A 467 -22.412 -36.772 -37.990 1.00 25.00 C ATOM 790 OE1 GLN A 467 -23.248 -37.340 -38.698 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.684 -35.729 -37.307 1.00 25.00 N ATOM 0 H GLN A 467 -18.971 -37.576 -39.626 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.177 -38.810 -37.031 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.924 -38.583 -39.521 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.474 -39.283 -38.012 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.736 -37.174 -36.867 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -20.427 -36.493 -38.452 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.962 -35.291 -36.735 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -23.624 -35.333 -37.333 1.00 25.00 H new ATOM 800 N ALA A 468 -18.806 -40.714 -39.621 1.00 25.00 N ATOM 801 CA ALA A 468 -18.476 -42.056 -39.985 1.00 25.00 C ATOM 802 C ALA A 468 -17.143 -42.467 -39.340 1.00 25.00 C ATOM 803 O ALA A 468 -16.997 -43.574 -38.840 1.00 25.00 O ATOM 804 CB ALA A 468 -18.399 -42.156 -41.514 1.00 25.00 C ATOM 0 H ALA A 468 -18.814 -40.052 -40.397 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.247 -42.737 -39.623 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -18.148 -43.177 -41.800 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.363 -41.885 -41.945 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.632 -41.476 -41.885 1.00 25.00 H new ATOM 810 N VAL A 469 -16.173 -41.564 -39.363 1.00 25.00 N ATOM 811 CA VAL A 469 -14.856 -41.837 -38.783 1.00 25.00 C ATOM 812 C VAL A 469 -14.927 -41.812 -37.267 1.00 25.00 C ATOM 813 O VAL A 469 -14.118 -42.451 -36.622 1.00 25.00 O ATOM 814 CB VAL A 469 -13.735 -40.880 -39.278 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.662 -40.920 -40.801 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.948 -39.462 -38.814 1.00 25.00 C ATOM 0 H VAL A 469 -16.268 -40.636 -39.775 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.582 -42.834 -39.129 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.795 -41.225 -38.848 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.876 -40.248 -41.145 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.441 -41.936 -41.128 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.618 -40.604 -41.219 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.139 -38.832 -39.185 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.900 -39.093 -39.196 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.959 -39.434 -37.724 1.00 25.00 H new ATOM 826 N ALA A 470 -15.870 -41.076 -36.688 1.00 25.00 N ATOM 827 CA ALA A 470 -15.991 -40.994 -35.226 1.00 25.00 C ATOM 828 C ALA A 470 -16.133 -42.385 -34.606 1.00 25.00 C ATOM 829 O ALA A 470 -15.604 -42.642 -33.525 1.00 25.00 O ATOM 830 CB ALA A 470 -17.187 -40.108 -34.829 1.00 25.00 C ATOM 0 H ALA A 470 -16.561 -40.528 -37.200 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.077 -40.541 -34.841 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.259 -40.060 -33.742 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.044 -39.104 -35.228 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.105 -40.532 -35.235 1.00 25.00 H new ATOM 836 N ALA A 471 -16.824 -43.288 -35.293 1.00 25.00 N ATOM 837 CA ALA A 471 -16.959 -44.660 -34.813 1.00 25.00 C ATOM 838 C ALA A 471 -15.581 -45.340 -34.748 1.00 25.00 C ATOM 839 O ALA A 471 -15.297 -46.094 -33.827 1.00 25.00 O ATOM 840 CB ALA A 471 -17.907 -45.442 -35.731 1.00 25.00 C ATOM 0 H ALA A 471 -17.296 -43.098 -36.177 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.380 -44.646 -33.808 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -18.004 -46.465 -35.368 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.887 -44.964 -35.734 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.505 -45.453 -36.744 1.00 25.00 H new ATOM 846 N ALA A 472 -14.728 -45.058 -35.722 1.00 25.00 N ATOM 847 CA ALA A 472 -13.368 -45.589 -35.737 1.00 25.00 C ATOM 848 C ALA A 472 -12.498 -44.898 -34.677 1.00 25.00 C ATOM 849 O ALA A 472 -11.618 -45.515 -34.093 1.00 25.00 O ATOM 850 CB ALA A 472 -12.747 -45.428 -37.133 1.00 25.00 C ATOM 0 H ALA A 472 -14.953 -44.461 -36.518 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.413 -46.651 -35.496 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.733 -45.828 -37.129 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.348 -45.970 -37.863 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.719 -44.371 -37.399 1.00 25.00 H new ATOM 856 N GLN A 473 -12.736 -43.616 -34.436 1.00 25.00 N ATOM 857 CA GLN A 473 -11.959 -42.871 -33.451 1.00 25.00 C ATOM 858 C GLN A 473 -12.241 -43.346 -32.039 1.00 25.00 C ATOM 859 O GLN A 473 -11.327 -43.596 -31.267 1.00 25.00 O ATOM 860 CB GLN A 473 -12.263 -41.371 -33.520 1.00 25.00 C ATOM 861 CG GLN A 473 -11.914 -40.704 -34.841 1.00 25.00 C ATOM 862 CD GLN A 473 -10.424 -40.606 -35.097 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.610 -40.690 -34.192 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.065 -40.438 -36.342 1.00 25.00 N ATOM 0 H GLN A 473 -13.458 -43.070 -34.906 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.911 -43.048 -33.692 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.325 -41.222 -33.324 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.718 -40.868 -32.721 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.378 -41.263 -35.654 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.343 -39.702 -34.857 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.774 -40.372 -37.073 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.076 -40.373 -36.583 1.00 25.00 H new ATOM 873 N ARG A 474 -13.508 -43.489 -31.690 1.00 25.00 N ATOM 874 CA ARG A 474 -13.853 -43.982 -30.355 1.00 25.00 C ATOM 875 C ARG A 474 -13.358 -45.413 -30.188 1.00 25.00 C ATOM 876 O ARG A 474 -13.074 -45.865 -29.085 1.00 25.00 O ATOM 877 CB ARG A 474 -15.354 -43.851 -30.092 1.00 25.00 C ATOM 878 CG ARG A 474 -16.268 -44.686 -30.968 1.00 25.00 C ATOM 879 CD ARG A 474 -17.720 -44.187 -30.900 1.00 25.00 C ATOM 880 NE ARG A 474 -18.252 -44.156 -29.521 1.00 25.00 N ATOM 881 CZ ARG A 474 -18.380 -43.065 -28.766 1.00 25.00 C ATOM 882 NH1 ARG A 474 -18.048 -41.867 -29.182 1.00 25.00 N ATOM 883 NH2 ARG A 474 -18.855 -43.186 -27.557 1.00 25.00 N ATOM 0 H ARG A 474 -14.304 -43.278 -32.292 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.353 -43.368 -29.606 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.543 -44.116 -29.052 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.631 -42.803 -30.210 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -15.918 -44.651 -32.000 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.225 -45.728 -30.652 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -17.776 -43.186 -31.328 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.350 -44.832 -31.513 1.00 25.00 H new ATOM 0 HE ARG A 474 -18.546 -45.044 -29.113 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -17.673 -41.739 -30.122 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -18.165 -41.063 -28.566 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.122 -44.105 -27.203 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -18.960 -42.362 -26.965 1.00 25.00 H new ATOM 897 N LEU A 475 -13.234 -46.115 -31.302 1.00 25.00 N ATOM 898 CA LEU A 475 -12.707 -47.472 -31.311 1.00 25.00 C ATOM 899 C LEU A 475 -11.199 -47.455 -31.032 1.00 25.00 C ATOM 900 O LEU A 475 -10.732 -48.189 -30.171 1.00 25.00 O ATOM 901 CB LEU A 475 -13.009 -48.132 -32.668 1.00 25.00 C ATOM 902 CG LEU A 475 -11.960 -49.078 -33.272 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.859 -50.375 -32.456 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.310 -49.412 -34.707 1.00 25.00 C ATOM 0 H LEU A 475 -13.494 -45.763 -32.223 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.188 -48.055 -30.525 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.939 -48.691 -32.565 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.193 -47.336 -33.390 1.00 25.00 H new ATOM 0 HG LEU A 475 -10.997 -48.568 -33.246 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.110 -51.029 -32.903 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.570 -50.139 -31.432 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.825 -50.879 -32.453 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.556 -50.083 -35.119 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.285 -49.898 -34.740 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.341 -48.496 -35.297 1.00 25.00 H new ATOM 916 N VAL A 476 -10.431 -46.636 -31.743 1.00 25.00 N ATOM 917 CA VAL A 476 -8.980 -46.623 -31.544 1.00 25.00 C ATOM 918 C VAL A 476 -8.680 -46.151 -30.131 1.00 25.00 C ATOM 919 O VAL A 476 -7.753 -46.630 -29.475 1.00 25.00 O ATOM 920 CB VAL A 476 -8.222 -45.793 -32.628 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.616 -44.341 -32.637 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.705 -45.920 -32.439 1.00 25.00 C ATOM 0 H VAL A 476 -10.776 -45.985 -32.448 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.605 -47.639 -31.666 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.509 -46.210 -33.593 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.056 -43.817 -33.411 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.683 -44.255 -32.840 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.395 -43.898 -31.666 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.193 -45.335 -33.203 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.429 -45.549 -31.452 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.414 -46.967 -32.527 1.00 25.00 H new ATOM 932 N HIS A 477 -9.496 -45.228 -29.654 1.00 25.00 N ATOM 933 CA HIS A 477 -9.367 -44.710 -28.316 1.00 25.00 C ATOM 934 C HIS A 477 -9.586 -45.830 -27.309 1.00 25.00 C ATOM 935 O HIS A 477 -8.911 -45.879 -26.294 1.00 25.00 O ATOM 936 CB HIS A 477 -10.378 -43.580 -28.122 1.00 25.00 C ATOM 937 CG HIS A 477 -10.087 -42.712 -26.940 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.929 -41.738 -26.458 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.995 -42.668 -26.133 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.348 -41.175 -25.403 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.163 -41.703 -25.159 1.00 25.00 N ATOM 0 H HIS A 477 -10.264 -44.821 -30.188 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.365 -44.311 -28.159 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.396 -42.962 -29.020 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.373 -44.010 -28.010 1.00 25.00 H new ATOM 0 HD1 HIS A 477 -11.841 -41.490 -26.843 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -8.123 -43.296 -26.238 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.791 -40.383 -24.818 1.00 25.00 H new ATOM 949 N ALA A 478 -10.503 -46.748 -27.592 1.00 25.00 N ATOM 950 CA ALA A 478 -10.756 -47.855 -26.681 1.00 25.00 C ATOM 951 C ALA A 478 -9.493 -48.700 -26.493 1.00 25.00 C ATOM 952 O ALA A 478 -9.139 -49.044 -25.374 1.00 25.00 O ATOM 953 CB ALA A 478 -11.912 -48.721 -27.195 1.00 25.00 C ATOM 0 H ALA A 478 -11.077 -46.748 -28.435 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.039 -47.443 -25.712 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.087 -49.543 -26.501 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.814 -48.114 -27.273 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.658 -49.122 -28.176 1.00 25.00 H new ATOM 959 N ILE A 479 -8.805 -49.028 -27.580 1.00 25.00 N ATOM 960 CA ILE A 479 -7.596 -49.854 -27.479 1.00 25.00 C ATOM 961 C ILE A 479 -6.487 -49.063 -26.819 1.00 25.00 C ATOM 962 O ILE A 479 -5.694 -49.614 -26.077 1.00 25.00 O ATOM 963 CB ILE A 479 -7.093 -50.338 -28.854 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.213 -51.050 -29.614 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.898 -51.311 -28.708 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.430 -50.433 -30.922 1.00 25.00 C ATOM 0 H ILE A 479 -9.053 -48.744 -28.528 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.862 -50.728 -26.885 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.769 -49.456 -29.407 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.960 -52.102 -29.741 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.134 -51.012 -29.032 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.568 -51.633 -29.696 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.078 -50.806 -28.198 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.206 -52.180 -28.127 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.231 -50.957 -31.443 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.707 -49.387 -30.790 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.514 -50.494 -31.510 1.00 25.00 H new ATOM 978 N ALA A 480 -6.441 -47.763 -27.067 1.00 25.00 N ATOM 979 CA ALA A 480 -5.426 -46.913 -26.462 1.00 25.00 C ATOM 980 C ALA A 480 -5.539 -46.996 -24.931 1.00 25.00 C ATOM 981 O ALA A 480 -4.562 -46.813 -24.204 1.00 25.00 O ATOM 982 CB ALA A 480 -5.597 -45.464 -26.954 1.00 25.00 C ATOM 0 H ALA A 480 -7.092 -47.274 -27.681 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.433 -47.254 -26.755 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.835 -44.833 -26.498 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.492 -45.433 -28.039 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.585 -45.099 -26.674 1.00 25.00 H new ATOM 988 N LEU A 481 -6.737 -47.286 -24.445 1.00 25.00 N ATOM 989 CA LEU A 481 -6.946 -47.459 -23.001 1.00 25.00 C ATOM 990 C LEU A 481 -6.534 -48.844 -22.572 1.00 25.00 C ATOM 991 O LEU A 481 -5.915 -49.027 -21.537 1.00 25.00 O ATOM 992 CB LEU A 481 -8.396 -47.220 -22.618 1.00 25.00 C ATOM 993 CG LEU A 481 -8.815 -45.818 -23.030 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.317 -45.788 -23.219 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.377 -44.759 -22.025 1.00 25.00 C ATOM 0 H LEU A 481 -7.574 -47.407 -25.015 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.328 -46.721 -22.490 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -9.036 -47.957 -23.103 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.523 -47.346 -21.543 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.315 -45.576 -23.968 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.627 -44.786 -23.515 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.600 -46.499 -23.995 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.807 -46.058 -22.283 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.701 -43.776 -22.367 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.825 -44.971 -21.054 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.291 -44.771 -21.934 1.00 25.00 H new ATOM 1007 N MET A 482 -6.871 -49.831 -23.381 1.00 25.00 N ATOM 1008 CA MET A 482 -6.520 -51.214 -23.074 1.00 25.00 C ATOM 1009 C MET A 482 -5.033 -51.402 -23.002 1.00 25.00 C ATOM 1010 O MET A 482 -4.550 -52.273 -22.298 1.00 25.00 O ATOM 1011 CB MET A 482 -7.074 -52.159 -24.132 1.00 25.00 C ATOM 1012 CG MET A 482 -8.541 -52.067 -24.191 1.00 25.00 C ATOM 1013 SD MET A 482 -9.352 -53.530 -24.863 1.00 25.00 S ATOM 1014 CE MET A 482 -9.132 -53.267 -26.615 1.00 25.00 C ATOM 0 H MET A 482 -7.385 -49.707 -24.253 1.00 25.00 H new ATOM 0 HA MET A 482 -6.958 -51.443 -22.103 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.649 -51.913 -25.105 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.777 -53.183 -23.904 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.922 -51.884 -23.186 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.815 -51.204 -24.798 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.583 -54.092 -27.166 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.611 -52.332 -26.906 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.068 -53.216 -26.844 1.00 25.00 H new ATOM 1024 N THR A 483 -4.297 -50.586 -23.731 1.00 25.00 N ATOM 1025 CA THR A 483 -2.852 -50.771 -23.775 1.00 25.00 C ATOM 1026 C THR A 483 -2.202 -50.198 -22.528 1.00 25.00 C ATOM 1027 O THR A 483 -1.234 -50.754 -22.025 1.00 25.00 O ATOM 1028 CB THR A 483 -2.254 -50.168 -25.045 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.688 -48.816 -25.179 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.728 -50.955 -26.267 1.00 25.00 C ATOM 0 H THR A 483 -4.657 -49.810 -24.287 1.00 25.00 H new ATOM 0 HA THR A 483 -2.647 -51.841 -23.799 1.00 25.00 H new ATOM 0 HB THR A 483 -1.167 -50.210 -24.978 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.304 -48.428 -25.993 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.298 -50.520 -27.169 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.409 -51.993 -26.177 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.816 -50.914 -26.327 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.743 -49.107 -22.003 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.217 -48.540 -20.761 1.00 25.00 C ATOM 1040 C GLN A 484 -2.765 -49.296 -19.541 1.00 25.00 C ATOM 1041 O GLN A 484 -2.137 -49.307 -18.490 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.493 -47.029 -20.673 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.956 -46.634 -20.680 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.150 -45.145 -20.833 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.149 -44.401 -19.866 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.329 -44.705 -22.051 1.00 25.00 N ATOM 0 H GLN A 484 -3.532 -48.602 -22.406 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.134 -48.664 -20.764 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -2.035 -46.646 -19.761 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.997 -46.537 -21.510 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.465 -47.149 -21.495 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.423 -46.965 -19.752 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.323 -45.358 -22.835 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.474 -43.709 -22.217 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.920 -49.946 -19.676 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.467 -50.752 -18.602 1.00 25.00 C ATOM 1057 C PHE A 485 -3.907 -52.168 -18.615 1.00 25.00 C ATOM 1058 O PHE A 485 -4.125 -52.950 -17.691 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.979 -50.848 -18.761 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.729 -49.720 -18.106 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.574 -49.467 -16.730 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.596 -48.905 -18.856 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.268 -48.402 -16.106 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -8.295 -47.834 -18.244 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.125 -47.581 -16.865 1.00 25.00 C ATOM 0 H PHE A 485 -4.490 -49.926 -20.521 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.195 -50.271 -17.663 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.223 -50.867 -19.823 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.321 -51.793 -18.339 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -5.918 -50.093 -16.143 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -7.731 -49.097 -19.910 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.140 -48.219 -15.049 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.956 -47.213 -18.831 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.649 -46.762 -16.395 1.00 25.00 H new