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 -132:sc= -0.287 (180deg=-0.657) USER MOD Single : A 433 MET CE :methyl -166:sc= -0.0376 (180deg=-0.35) USER MOD Single : A 434 THR OG1 : rot 71:sc= 1.2 USER MOD Single : A 436 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 467 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.31) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 477 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot -78:sc= 0.489 USER MOD Single : A 484 GLN : amide:sc= 0.397 X(o=0.4,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -14.972 -32.714 -18.640 1.00 25.00 N ATOM 114 CA GLU A 419 -15.170 -31.276 -18.822 1.00 25.00 C ATOM 115 C GLU A 419 -15.327 -30.989 -20.310 1.00 25.00 C ATOM 116 O GLU A 419 -16.122 -30.163 -20.700 1.00 25.00 O ATOM 117 CB GLU A 419 -13.962 -30.485 -18.296 1.00 25.00 C ATOM 118 CG GLU A 419 -13.500 -30.847 -16.882 1.00 25.00 C ATOM 119 CD GLU A 419 -14.420 -30.378 -15.774 1.00 25.00 C ATOM 120 OE1 GLU A 419 -14.530 -31.122 -14.770 1.00 25.00 O ATOM 121 OE2 GLU A 419 -14.991 -29.280 -15.854 1.00 25.00 O ATOM 0 HA GLU A 419 -16.058 -30.972 -18.268 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -13.127 -30.633 -18.981 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -14.208 -29.423 -18.318 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -13.396 -31.930 -16.815 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -12.510 -30.421 -16.718 1.00 25.00 H new ATOM 128 N VAL A 420 -14.565 -31.696 -21.137 1.00 25.00 N ATOM 129 CA VAL A 420 -14.635 -31.536 -22.598 1.00 25.00 C ATOM 130 C VAL A 420 -16.005 -31.971 -23.120 1.00 25.00 C ATOM 131 O VAL A 420 -16.536 -31.385 -24.062 1.00 25.00 O ATOM 132 CB VAL A 420 -13.507 -32.359 -23.307 1.00 25.00 C ATOM 133 CG1 VAL A 420 -13.643 -32.308 -24.840 1.00 25.00 C ATOM 134 CG2 VAL A 420 -12.135 -31.810 -22.920 1.00 25.00 C ATOM 0 H VAL A 420 -13.886 -32.391 -20.826 1.00 25.00 H new ATOM 0 HA VAL A 420 -14.488 -30.480 -22.826 1.00 25.00 H new ATOM 0 HB VAL A 420 -13.608 -33.394 -22.981 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -12.842 -32.891 -25.296 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -14.607 -32.724 -25.134 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -13.576 -31.274 -25.177 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -11.358 -32.389 -23.418 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -12.062 -30.766 -23.225 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -12.006 -31.882 -21.840 1.00 25.00 H new ATOM 144 N SER A 421 -16.592 -32.984 -22.505 1.00 25.00 N ATOM 145 CA SER A 421 -17.906 -33.452 -22.935 1.00 25.00 C ATOM 146 C SER A 421 -18.954 -32.378 -22.656 1.00 25.00 C ATOM 147 O SER A 421 -19.847 -32.144 -23.468 1.00 25.00 O ATOM 148 CB SER A 421 -18.272 -34.747 -22.213 1.00 25.00 C ATOM 149 OG SER A 421 -17.283 -35.745 -22.444 1.00 25.00 O ATOM 0 H SER A 421 -16.190 -33.494 -21.718 1.00 25.00 H new ATOM 0 HA SER A 421 -17.877 -33.651 -24.006 1.00 25.00 H new ATOM 0 HB2 SER A 421 -18.365 -34.560 -21.143 1.00 25.00 H new ATOM 0 HB3 SER A 421 -19.243 -35.102 -22.560 1.00 25.00 H new ATOM 0 HG SER A 421 -17.532 -36.568 -21.973 1.00 25.00 H new ATOM 155 N ASP A 422 -18.831 -31.720 -21.513 1.00 25.00 N ATOM 156 CA ASP A 422 -19.759 -30.654 -21.137 1.00 25.00 C ATOM 157 C ASP A 422 -19.457 -29.376 -21.925 1.00 25.00 C ATOM 158 O ASP A 422 -20.341 -28.566 -22.174 1.00 25.00 O ATOM 159 CB ASP A 422 -19.654 -30.370 -19.633 1.00 25.00 C ATOM 160 CG ASP A 422 -20.206 -31.511 -18.781 1.00 25.00 C ATOM 161 OD1 ASP A 422 -21.101 -32.246 -19.259 1.00 25.00 O ATOM 162 OD2 ASP A 422 -19.752 -31.664 -17.627 1.00 25.00 O ATOM 0 H ASP A 422 -18.099 -31.903 -20.827 1.00 25.00 H new ATOM 0 HA ASP A 422 -20.772 -30.981 -21.372 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -18.610 -30.198 -19.371 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -20.196 -29.453 -19.401 1.00 25.00 H new ATOM 167 N MET A 423 -18.204 -29.210 -22.328 1.00 25.00 N ATOM 168 CA MET A 423 -17.752 -28.037 -23.086 1.00 25.00 C ATOM 169 C MET A 423 -18.524 -27.888 -24.390 1.00 25.00 C ATOM 170 O MET A 423 -18.779 -26.779 -24.845 1.00 25.00 O ATOM 171 CB MET A 423 -16.257 -28.178 -23.391 1.00 25.00 C ATOM 172 CG MET A 423 -15.535 -26.890 -23.730 1.00 25.00 C ATOM 173 SD MET A 423 -13.786 -27.220 -24.149 1.00 25.00 S ATOM 174 CE MET A 423 -13.071 -27.789 -22.548 1.00 25.00 C ATOM 0 H MET A 423 -17.464 -29.886 -22.140 1.00 25.00 H new ATOM 0 HA MET A 423 -17.932 -27.148 -22.482 1.00 25.00 H new ATOM 0 HB2 MET A 423 -15.769 -28.631 -22.528 1.00 25.00 H new ATOM 0 HB3 MET A 423 -16.138 -28.871 -24.224 1.00 25.00 H new ATOM 0 HG2 MET A 423 -16.029 -26.401 -24.569 1.00 25.00 H new ATOM 0 HG3 MET A 423 -15.588 -26.204 -22.885 1.00 25.00 H new ATOM 0 HE1 MET A 423 -12.139 -27.258 -22.357 1.00 25.00 H new ATOM 0 HE2 MET A 423 -13.776 -27.586 -21.742 1.00 25.00 H new ATOM 0 HE3 MET A 423 -12.875 -28.860 -22.597 1.00 25.00 H new ATOM 184 N ALA A 424 -18.913 -29.008 -24.985 1.00 25.00 N ATOM 185 CA ALA A 424 -19.690 -28.980 -26.221 1.00 25.00 C ATOM 186 C ALA A 424 -21.050 -28.299 -25.990 1.00 25.00 C ATOM 187 O ALA A 424 -21.574 -27.606 -26.864 1.00 25.00 O ATOM 188 CB ALA A 424 -19.887 -30.410 -26.735 1.00 25.00 C ATOM 0 H ALA A 424 -18.706 -29.944 -24.635 1.00 25.00 H new ATOM 0 HA ALA A 424 -19.146 -28.403 -26.969 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -20.467 -30.388 -27.658 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -18.915 -30.864 -26.928 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -20.419 -30.996 -25.986 1.00 25.00 H new ATOM 194 N ALA A 425 -21.612 -28.490 -24.803 1.00 25.00 N ATOM 195 CA ALA A 425 -22.889 -27.877 -24.459 1.00 25.00 C ATOM 196 C ALA A 425 -22.679 -26.391 -24.156 1.00 25.00 C ATOM 197 O ALA A 425 -23.533 -25.564 -24.467 1.00 25.00 O ATOM 198 CB ALA A 425 -23.515 -28.592 -23.251 1.00 25.00 C ATOM 0 H ALA A 425 -21.205 -29.063 -24.064 1.00 25.00 H new ATOM 0 HA ALA A 425 -23.573 -27.973 -25.303 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -24.468 -28.124 -23.005 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -23.678 -29.642 -23.494 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -22.843 -28.518 -22.396 1.00 25.00 H new ATOM 204 N VAL A 426 -21.540 -26.058 -23.561 1.00 25.00 N ATOM 205 CA VAL A 426 -21.215 -24.666 -23.254 1.00 25.00 C ATOM 206 C VAL A 426 -21.088 -23.895 -24.557 1.00 25.00 C ATOM 207 O VAL A 426 -21.656 -22.823 -24.693 1.00 25.00 O ATOM 208 CB VAL A 426 -19.891 -24.542 -22.438 1.00 25.00 C ATOM 209 CG1 VAL A 426 -19.542 -23.074 -22.179 1.00 25.00 C ATOM 210 CG2 VAL A 426 -20.020 -25.275 -21.102 1.00 25.00 C ATOM 0 H VAL A 426 -20.825 -26.730 -23.281 1.00 25.00 H new ATOM 0 HA VAL A 426 -22.016 -24.254 -22.640 1.00 25.00 H new ATOM 0 HB VAL A 426 -19.093 -24.995 -23.026 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -18.615 -23.016 -21.609 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -19.416 -22.557 -23.130 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -20.346 -22.603 -21.614 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -19.089 -25.180 -20.543 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -20.835 -24.839 -20.525 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -20.228 -26.329 -21.284 1.00 25.00 H new ATOM 220 N GLU A 427 -20.363 -24.441 -25.525 1.00 25.00 N ATOM 221 CA GLU A 427 -20.202 -23.769 -26.814 1.00 25.00 C ATOM 222 C GLU A 427 -21.557 -23.537 -27.467 1.00 25.00 C ATOM 223 O GLU A 427 -21.817 -22.464 -27.994 1.00 25.00 O ATOM 224 CB GLU A 427 -19.340 -24.596 -27.770 1.00 25.00 C ATOM 225 CG GLU A 427 -17.843 -24.426 -27.573 1.00 25.00 C ATOM 226 CD GLU A 427 -17.052 -24.938 -28.775 1.00 25.00 C ATOM 227 OE1 GLU A 427 -17.374 -26.037 -29.286 1.00 25.00 O ATOM 228 OE2 GLU A 427 -16.114 -24.239 -29.218 1.00 25.00 O ATOM 0 H GLU A 427 -19.881 -25.337 -25.447 1.00 25.00 H new ATOM 0 HA GLU A 427 -19.710 -22.816 -26.620 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -19.593 -25.649 -27.648 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -19.592 -24.324 -28.795 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -17.615 -23.373 -27.410 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -17.531 -24.962 -26.677 1.00 25.00 H new ATOM 235 N ALA A 428 -22.429 -24.534 -27.424 1.00 25.00 N ATOM 236 CA ALA A 428 -23.750 -24.401 -28.025 1.00 25.00 C ATOM 237 C ALA A 428 -24.540 -23.262 -27.363 1.00 25.00 C ATOM 238 O ALA A 428 -25.221 -22.487 -28.046 1.00 25.00 O ATOM 239 CB ALA A 428 -24.514 -25.727 -27.911 1.00 25.00 C ATOM 0 H ALA A 428 -22.249 -25.436 -26.984 1.00 25.00 H new ATOM 0 HA ALA A 428 -23.628 -24.155 -29.080 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -25.500 -25.619 -28.363 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -23.962 -26.511 -28.429 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -24.624 -25.995 -26.860 1.00 25.00 H new ATOM 245 N ALA A 429 -24.437 -23.164 -26.044 1.00 25.00 N ATOM 246 CA ALA A 429 -25.142 -22.133 -25.291 1.00 25.00 C ATOM 247 C ALA A 429 -24.571 -20.745 -25.592 1.00 25.00 C ATOM 248 O ALA A 429 -25.318 -19.800 -25.810 1.00 25.00 O ATOM 249 CB ALA A 429 -25.054 -22.431 -23.788 1.00 25.00 C ATOM 0 H ALA A 429 -23.870 -23.788 -25.471 1.00 25.00 H new ATOM 0 HA ALA A 429 -26.188 -22.139 -25.596 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -25.583 -21.657 -23.232 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -25.508 -23.400 -23.582 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -24.008 -22.448 -23.481 1.00 25.00 H new ATOM 255 N GLU A 430 -23.252 -20.628 -25.614 1.00 25.00 N ATOM 256 CA GLU A 430 -22.598 -19.344 -25.880 1.00 25.00 C ATOM 257 C GLU A 430 -22.967 -18.867 -27.271 1.00 25.00 C ATOM 258 O GLU A 430 -23.303 -17.701 -27.485 1.00 25.00 O ATOM 259 CB GLU A 430 -21.077 -19.492 -25.796 1.00 25.00 C ATOM 260 CG GLU A 430 -20.555 -19.803 -24.407 1.00 25.00 C ATOM 261 CD GLU A 430 -20.272 -18.552 -23.589 1.00 25.00 C ATOM 262 OE1 GLU A 430 -21.227 -17.798 -23.299 1.00 25.00 O ATOM 263 OE2 GLU A 430 -19.098 -18.328 -23.226 1.00 25.00 O ATOM 0 H GLU A 430 -22.609 -21.403 -25.452 1.00 25.00 H new ATOM 0 HA GLU A 430 -22.931 -18.623 -25.134 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -20.763 -20.285 -26.475 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -20.614 -18.570 -26.147 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -21.283 -20.419 -23.880 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -19.641 -20.391 -24.491 1.00 25.00 H new ATOM 270 N LEU A 431 -22.918 -19.784 -28.223 1.00 25.00 N ATOM 271 CA LEU A 431 -23.257 -19.460 -29.601 1.00 25.00 C ATOM 272 C LEU A 431 -24.688 -18.957 -29.720 1.00 25.00 C ATOM 273 O LEU A 431 -24.934 -17.997 -30.446 1.00 25.00 O ATOM 274 CB LEU A 431 -23.063 -20.679 -30.510 1.00 25.00 C ATOM 275 CG LEU A 431 -21.608 -21.023 -30.875 1.00 25.00 C ATOM 276 CD1 LEU A 431 -21.558 -22.414 -31.508 1.00 25.00 C ATOM 277 CD2 LEU A 431 -21.016 -19.992 -31.843 1.00 25.00 C ATOM 0 H LEU A 431 -22.648 -20.756 -28.069 1.00 25.00 H new ATOM 0 HA LEU A 431 -22.584 -18.664 -29.920 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -23.509 -21.546 -30.022 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -23.618 -20.511 -31.433 1.00 25.00 H new ATOM 0 HG LEU A 431 -21.013 -21.008 -29.962 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -20.528 -22.659 -31.767 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -21.939 -23.150 -30.800 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -22.171 -22.426 -32.409 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -19.988 -20.264 -32.080 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -21.607 -19.972 -32.759 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -21.032 -19.006 -31.379 1.00 25.00 H new ATOM 289 N GLU A 432 -25.645 -19.577 -29.042 1.00 25.00 N ATOM 290 CA GLU A 432 -27.019 -19.080 -29.131 1.00 25.00 C ATOM 291 C GLU A 432 -27.220 -17.785 -28.349 1.00 25.00 C ATOM 292 O GLU A 432 -27.974 -16.918 -28.786 1.00 25.00 O ATOM 293 CB GLU A 432 -28.073 -20.143 -28.786 1.00 25.00 C ATOM 294 CG GLU A 432 -28.281 -20.466 -27.324 1.00 25.00 C ATOM 295 CD GLU A 432 -29.523 -21.320 -27.134 1.00 25.00 C ATOM 296 OE1 GLU A 432 -29.615 -22.397 -27.766 1.00 25.00 O ATOM 297 OE2 GLU A 432 -30.421 -20.904 -26.369 1.00 25.00 O ATOM 0 H GLU A 432 -25.509 -20.393 -28.446 1.00 25.00 H new ATOM 0 HA GLU A 432 -27.178 -18.839 -30.182 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -29.028 -19.817 -29.198 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -27.802 -21.065 -29.300 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -27.409 -20.992 -26.935 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -28.378 -19.543 -26.753 1.00 25.00 H new ATOM 304 N MET A 433 -26.543 -17.623 -27.220 1.00 25.00 N ATOM 305 CA MET A 433 -26.664 -16.387 -26.452 1.00 25.00 C ATOM 306 C MET A 433 -26.122 -15.230 -27.269 1.00 25.00 C ATOM 307 O MET A 433 -26.683 -14.144 -27.237 1.00 25.00 O ATOM 308 CB MET A 433 -25.933 -16.477 -25.114 1.00 25.00 C ATOM 309 CG MET A 433 -26.701 -17.288 -24.081 1.00 25.00 C ATOM 310 SD MET A 433 -25.963 -17.221 -22.431 1.00 25.00 S ATOM 311 CE MET A 433 -24.453 -18.183 -22.656 1.00 25.00 C ATOM 0 H MET A 433 -25.914 -18.318 -26.819 1.00 25.00 H new ATOM 0 HA MET A 433 -27.720 -16.223 -26.235 1.00 25.00 H new ATOM 0 HB2 MET A 433 -24.953 -16.928 -25.269 1.00 25.00 H new ATOM 0 HB3 MET A 433 -25.764 -15.472 -24.728 1.00 25.00 H new ATOM 0 HG2 MET A 433 -27.726 -16.921 -24.029 1.00 25.00 H new ATOM 0 HG3 MET A 433 -26.751 -18.327 -24.408 1.00 25.00 H new ATOM 0 HE1 MET A 433 -24.032 -18.433 -21.682 1.00 25.00 H new ATOM 0 HE2 MET A 433 -24.683 -19.100 -23.198 1.00 25.00 H new ATOM 0 HE3 MET A 433 -23.730 -17.598 -23.224 1.00 25.00 H new ATOM 321 N THR A 434 -25.056 -15.463 -28.020 1.00 25.00 N ATOM 322 CA THR A 434 -24.486 -14.429 -28.887 1.00 25.00 C ATOM 323 C THR A 434 -25.522 -13.961 -29.916 1.00 25.00 C ATOM 324 O THR A 434 -25.627 -12.777 -30.212 1.00 25.00 O ATOM 325 CB THR A 434 -23.223 -14.939 -29.621 1.00 25.00 C ATOM 326 OG1 THR A 434 -22.287 -15.444 -28.667 1.00 25.00 O ATOM 327 CG2 THR A 434 -22.537 -13.816 -30.383 1.00 25.00 C ATOM 0 H THR A 434 -24.565 -16.356 -28.050 1.00 25.00 H new ATOM 0 HA THR A 434 -24.201 -13.591 -28.251 1.00 25.00 H new ATOM 0 HB THR A 434 -23.538 -15.716 -30.318 1.00 25.00 H new ATOM 0 HG1 THR A 434 -22.624 -16.284 -28.291 1.00 25.00 H new ATOM 0 HG21 THR A 434 -21.653 -14.206 -30.888 1.00 25.00 H new ATOM 0 HG22 THR A 434 -23.225 -13.404 -31.121 1.00 25.00 H new ATOM 0 HG23 THR A 434 -22.240 -13.032 -29.686 1.00 25.00 H new ATOM 335 N ARG A 435 -26.311 -14.882 -30.451 1.00 25.00 N ATOM 336 CA ARG A 435 -27.349 -14.507 -31.423 1.00 25.00 C ATOM 337 C ARG A 435 -28.366 -13.635 -30.726 1.00 25.00 C ATOM 338 O ARG A 435 -28.757 -12.589 -31.212 1.00 25.00 O ATOM 339 CB ARG A 435 -28.068 -15.745 -31.966 1.00 25.00 C ATOM 340 CG ARG A 435 -27.161 -16.706 -32.673 1.00 25.00 C ATOM 341 CD ARG A 435 -27.829 -18.063 -32.862 1.00 25.00 C ATOM 342 NE ARG A 435 -26.858 -19.154 -32.657 1.00 25.00 N ATOM 343 CZ ARG A 435 -27.167 -20.419 -32.389 1.00 25.00 C ATOM 344 NH1 ARG A 435 -28.407 -20.833 -32.286 1.00 25.00 N ATOM 345 NH2 ARG A 435 -26.208 -21.280 -32.199 1.00 25.00 N ATOM 0 H ARG A 435 -26.261 -15.878 -30.239 1.00 25.00 H new ATOM 0 HA ARG A 435 -26.876 -13.982 -32.253 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -28.558 -16.261 -31.140 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -28.852 -15.427 -32.653 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -26.881 -16.298 -33.644 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -26.241 -16.828 -32.102 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -28.656 -18.168 -32.159 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -28.252 -18.129 -33.864 1.00 25.00 H new ATOM 0 HE ARG A 435 -25.868 -18.919 -32.727 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -29.176 -20.175 -32.413 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -28.602 -21.813 -32.079 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -25.235 -20.980 -32.257 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -26.430 -22.254 -31.993 1.00 25.00 H new ATOM 359 N GLN A 436 -28.784 -14.097 -29.565 1.00 25.00 N ATOM 360 CA GLN A 436 -29.797 -13.406 -28.774 1.00 25.00 C ATOM 361 C GLN A 436 -29.396 -11.983 -28.383 1.00 25.00 C ATOM 362 O GLN A 436 -30.210 -11.070 -28.479 1.00 25.00 O ATOM 363 CB GLN A 436 -30.105 -14.213 -27.511 1.00 25.00 C ATOM 364 CG GLN A 436 -31.321 -15.122 -27.637 1.00 25.00 C ATOM 365 CD GLN A 436 -31.089 -16.346 -28.516 1.00 25.00 C ATOM 366 OE1 GLN A 436 -31.109 -16.264 -29.741 1.00 25.00 O ATOM 367 NE2 GLN A 436 -30.886 -17.480 -27.895 1.00 25.00 N ATOM 0 H GLN A 436 -28.437 -14.957 -29.140 1.00 25.00 H new ATOM 0 HA GLN A 436 -30.682 -13.323 -29.405 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -29.235 -14.820 -27.259 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -30.264 -13.524 -26.682 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -31.620 -15.453 -26.642 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -32.152 -14.546 -28.045 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -30.876 -17.509 -26.875 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -30.737 -18.335 -28.431 1.00 25.00 H new ATOM 376 N VAL A 437 -28.160 -11.783 -27.950 1.00 25.00 N ATOM 377 CA VAL A 437 -27.711 -10.440 -27.555 1.00 25.00 C ATOM 378 C VAL A 437 -27.571 -9.497 -28.747 1.00 25.00 C ATOM 379 O VAL A 437 -27.857 -8.313 -28.636 1.00 25.00 O ATOM 380 CB VAL A 437 -26.375 -10.456 -26.745 1.00 25.00 C ATOM 381 CG1 VAL A 437 -26.584 -11.164 -25.392 1.00 25.00 C ATOM 382 CG2 VAL A 437 -25.234 -11.102 -27.498 1.00 25.00 C ATOM 0 H VAL A 437 -27.455 -12.514 -27.861 1.00 25.00 H new ATOM 0 HA VAL A 437 -28.499 -10.064 -26.902 1.00 25.00 H new ATOM 0 HB VAL A 437 -26.095 -9.416 -26.580 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -25.647 -11.170 -24.836 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -27.344 -10.634 -24.818 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -26.910 -12.190 -25.565 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -24.335 -11.082 -26.883 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -25.491 -12.135 -27.732 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -25.053 -10.555 -28.423 1.00 25.00 H new ATOM 392 N LEU A 438 -27.154 -10.021 -29.889 1.00 25.00 N ATOM 393 CA LEU A 438 -27.026 -9.215 -31.110 1.00 25.00 C ATOM 394 C LEU A 438 -28.394 -8.839 -31.680 1.00 25.00 C ATOM 395 O LEU A 438 -28.514 -7.900 -32.460 1.00 25.00 O ATOM 396 CB LEU A 438 -26.224 -9.976 -32.173 1.00 25.00 C ATOM 397 CG LEU A 438 -24.714 -10.117 -31.908 1.00 25.00 C ATOM 398 CD1 LEU A 438 -24.109 -11.077 -32.932 1.00 25.00 C ATOM 399 CD2 LEU A 438 -23.994 -8.765 -31.985 1.00 25.00 C ATOM 0 H LEU A 438 -26.896 -11.001 -30.004 1.00 25.00 H new ATOM 0 HA LEU A 438 -26.500 -8.299 -30.841 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -26.649 -10.974 -32.275 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -26.359 -9.473 -33.130 1.00 25.00 H new ATOM 0 HG LEU A 438 -24.583 -10.507 -30.899 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -23.040 -11.179 -32.747 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -24.587 -12.052 -32.843 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -24.268 -10.685 -33.937 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -22.931 -8.908 -31.792 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -24.128 -8.337 -32.978 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -24.410 -8.088 -31.239 1.00 25.00 H new ATOM 720 N ALA A 462 -17.703 -32.483 -45.327 1.00 25.00 N ATOM 721 CA ALA A 462 -16.640 -32.731 -44.363 1.00 25.00 C ATOM 722 C ALA A 462 -17.219 -33.342 -43.081 1.00 25.00 C ATOM 723 O ALA A 462 -16.666 -34.298 -42.540 1.00 25.00 O ATOM 724 CB ALA A 462 -15.903 -31.428 -44.052 1.00 25.00 C ATOM 0 HA ALA A 462 -15.930 -33.439 -44.791 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.110 -31.622 -43.330 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -15.470 -31.027 -44.968 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -16.603 -30.704 -43.635 1.00 25.00 H new ATOM 730 N LEU A 463 -18.333 -32.804 -42.598 1.00 25.00 N ATOM 731 CA LEU A 463 -18.947 -33.324 -41.380 1.00 25.00 C ATOM 732 C LEU A 463 -19.463 -34.741 -41.595 1.00 25.00 C ATOM 733 O LEU A 463 -19.372 -35.554 -40.695 1.00 25.00 O ATOM 734 CB LEU A 463 -20.036 -32.373 -40.850 1.00 25.00 C ATOM 735 CG LEU A 463 -21.528 -32.606 -41.160 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.189 -33.628 -40.230 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.246 -31.288 -41.018 1.00 25.00 C ATOM 0 H LEU A 463 -18.825 -32.018 -43.024 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.181 -33.377 -40.607 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -19.937 -32.352 -39.765 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -19.789 -31.375 -41.212 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.595 -33.007 -42.171 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.238 -33.744 -40.503 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.681 -34.588 -40.325 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.119 -33.281 -39.199 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.306 -31.426 -41.233 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.127 -30.917 -40.000 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -21.825 -30.567 -41.719 1.00 25.00 H new ATOM 749 N GLN A 464 -19.973 -35.063 -42.779 1.00 25.00 N ATOM 750 CA GLN A 464 -20.394 -36.442 -43.054 1.00 25.00 C ATOM 751 C GLN A 464 -19.227 -37.401 -42.835 1.00 25.00 C ATOM 752 O GLN A 464 -19.400 -38.509 -42.327 1.00 25.00 O ATOM 753 CB GLN A 464 -20.912 -36.593 -44.485 1.00 25.00 C ATOM 754 CG GLN A 464 -22.279 -35.972 -44.724 1.00 25.00 C ATOM 755 CD GLN A 464 -22.763 -36.219 -46.132 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.718 -35.348 -46.994 1.00 25.00 O ATOM 757 NE2 GLN A 464 -23.218 -37.413 -46.376 1.00 25.00 N ATOM 0 H GLN A 464 -20.105 -34.409 -43.551 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.204 -36.684 -42.366 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.195 -36.138 -45.168 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -20.959 -37.654 -44.732 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -22.996 -36.385 -44.014 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.229 -34.899 -44.539 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -23.240 -38.112 -45.633 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -23.553 -37.650 -47.310 1.00 25.00 H new ATOM 766 N GLY A 465 -18.036 -36.956 -43.200 1.00 25.00 N ATOM 767 CA GLY A 465 -16.844 -37.750 -42.987 1.00 25.00 C ATOM 768 C GLY A 465 -16.559 -37.839 -41.508 1.00 25.00 C ATOM 769 O GLY A 465 -16.336 -38.919 -40.990 1.00 25.00 O ATOM 0 H GLY A 465 -17.872 -36.052 -43.643 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -16.979 -38.748 -43.403 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -15.997 -37.301 -43.505 1.00 25.00 H new ATOM 773 N ALA A 466 -16.594 -36.702 -40.826 1.00 25.00 N ATOM 774 CA ALA A 466 -16.340 -36.638 -39.385 1.00 25.00 C ATOM 775 C ALA A 466 -17.233 -37.609 -38.595 1.00 25.00 C ATOM 776 O ALA A 466 -16.789 -38.241 -37.646 1.00 25.00 O ATOM 777 CB ALA A 466 -16.555 -35.207 -38.890 1.00 25.00 C ATOM 0 H ALA A 466 -16.798 -35.798 -41.251 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.306 -36.939 -39.216 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.366 -35.161 -37.818 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -15.870 -34.536 -39.409 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.582 -34.903 -39.091 1.00 25.00 H new ATOM 783 N GLN A 467 -18.485 -37.731 -39.000 1.00 25.00 N ATOM 784 CA GLN A 467 -19.419 -38.636 -38.332 1.00 25.00 C ATOM 785 C GLN A 467 -19.020 -40.096 -38.546 1.00 25.00 C ATOM 786 O GLN A 467 -19.070 -40.910 -37.628 1.00 25.00 O ATOM 787 CB GLN A 467 -20.817 -38.438 -38.904 1.00 25.00 C ATOM 788 CG GLN A 467 -21.434 -37.061 -38.635 1.00 25.00 C ATOM 789 CD GLN A 467 -21.708 -36.787 -37.176 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.118 -37.658 -36.430 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.489 -35.562 -36.769 1.00 25.00 N ATOM 0 H GLN A 467 -18.883 -37.218 -39.787 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.399 -38.410 -37.266 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.779 -38.599 -39.981 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.475 -39.202 -38.490 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.764 -36.292 -39.019 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.367 -36.977 -39.192 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.145 -34.860 -37.425 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -21.662 -35.309 -35.796 1.00 25.00 H new ATOM 800 N ALA A 468 -18.632 -40.429 -39.769 1.00 25.00 N ATOM 801 CA ALA A 468 -18.266 -41.802 -40.100 1.00 25.00 C ATOM 802 C ALA A 468 -16.963 -42.205 -39.403 1.00 25.00 C ATOM 803 O ALA A 468 -16.852 -43.297 -38.845 1.00 25.00 O ATOM 804 CB ALA A 468 -18.128 -41.949 -41.622 1.00 25.00 C ATOM 0 H ALA A 468 -18.562 -39.772 -40.546 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.054 -42.467 -39.747 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.855 -42.976 -41.865 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.077 -41.704 -42.099 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.354 -41.272 -41.984 1.00 25.00 H new ATOM 810 N VAL A 469 -15.977 -41.320 -39.430 1.00 25.00 N ATOM 811 CA VAL A 469 -14.681 -41.612 -38.819 1.00 25.00 C ATOM 812 C VAL A 469 -14.800 -41.673 -37.309 1.00 25.00 C ATOM 813 O VAL A 469 -14.024 -42.352 -36.667 1.00 25.00 O ATOM 814 CB VAL A 469 -13.564 -40.604 -39.229 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.423 -40.571 -40.750 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.846 -39.213 -38.704 1.00 25.00 C ATOM 0 H VAL A 469 -16.045 -40.399 -39.864 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.380 -42.588 -39.201 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.629 -40.944 -38.784 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.641 -39.864 -41.028 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.160 -41.565 -41.113 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.368 -40.260 -41.196 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.046 -38.539 -39.010 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.794 -38.857 -39.107 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.902 -39.239 -37.616 1.00 25.00 H new ATOM 826 N ALA A 470 -15.774 -40.976 -36.735 1.00 25.00 N ATOM 827 CA ALA A 470 -15.970 -40.988 -35.282 1.00 25.00 C ATOM 828 C ALA A 470 -16.164 -42.419 -34.764 1.00 25.00 C ATOM 829 O ALA A 470 -15.750 -42.743 -33.650 1.00 25.00 O ATOM 830 CB ALA A 470 -17.166 -40.114 -34.895 1.00 25.00 C ATOM 0 H ALA A 470 -16.440 -40.397 -37.247 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.073 -40.578 -34.818 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.297 -40.135 -33.813 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.988 -39.089 -35.219 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.066 -40.495 -35.377 1.00 25.00 H new ATOM 836 N ALA A 471 -16.772 -43.278 -35.572 1.00 25.00 N ATOM 837 CA ALA A 471 -16.965 -44.673 -35.188 1.00 25.00 C ATOM 838 C ALA A 471 -15.612 -45.390 -35.058 1.00 25.00 C ATOM 839 O ALA A 471 -15.444 -46.259 -34.207 1.00 25.00 O ATOM 840 CB ALA A 471 -17.855 -45.383 -36.215 1.00 25.00 C ATOM 0 H ALA A 471 -17.139 -43.037 -36.493 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.460 -44.703 -34.217 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.993 -46.423 -35.920 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.825 -44.887 -36.261 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.381 -45.344 -37.196 1.00 25.00 H new ATOM 846 N ALA A 472 -14.655 -45.014 -35.895 1.00 25.00 N ATOM 847 CA ALA A 472 -13.298 -45.548 -35.811 1.00 25.00 C ATOM 848 C ALA A 472 -12.530 -44.893 -34.654 1.00 25.00 C ATOM 849 O ALA A 472 -11.734 -45.539 -33.994 1.00 25.00 O ATOM 850 CB ALA A 472 -12.559 -45.327 -37.139 1.00 25.00 C ATOM 0 H ALA A 472 -14.792 -44.337 -36.645 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.358 -46.619 -35.618 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.549 -45.729 -37.064 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.093 -45.835 -37.942 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.510 -44.260 -37.355 1.00 25.00 H new ATOM 856 N GLN A 473 -12.760 -43.609 -34.418 1.00 25.00 N ATOM 857 CA GLN A 473 -12.046 -42.889 -33.363 1.00 25.00 C ATOM 858 C GLN A 473 -12.400 -43.392 -31.974 1.00 25.00 C ATOM 859 O GLN A 473 -11.529 -43.628 -31.145 1.00 25.00 O ATOM 860 CB GLN A 473 -12.349 -41.386 -33.410 1.00 25.00 C ATOM 861 CG GLN A 473 -11.935 -40.672 -34.694 1.00 25.00 C ATOM 862 CD GLN A 473 -10.435 -40.528 -34.863 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.658 -40.829 -33.975 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.029 -40.070 -36.018 1.00 25.00 N ATOM 0 H GLN A 473 -13.431 -43.043 -34.938 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.988 -43.070 -33.551 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.420 -41.244 -33.265 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.848 -40.906 -32.570 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.336 -41.219 -35.547 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.389 -39.681 -34.709 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.709 -39.828 -36.738 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.032 -39.954 -36.199 1.00 25.00 H new ATOM 873 N ARG A 474 -13.688 -43.571 -31.720 1.00 25.00 N ATOM 874 CA ARG A 474 -14.138 -44.084 -30.419 1.00 25.00 C ATOM 875 C ARG A 474 -13.553 -45.478 -30.201 1.00 25.00 C ATOM 876 O ARG A 474 -13.314 -45.903 -29.077 1.00 25.00 O ATOM 877 CB ARG A 474 -15.677 -44.116 -30.349 1.00 25.00 C ATOM 878 CG ARG A 474 -16.315 -45.124 -31.280 1.00 25.00 C ATOM 879 CD ARG A 474 -17.816 -45.016 -31.325 1.00 25.00 C ATOM 880 NE ARG A 474 -18.363 -46.073 -32.194 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.645 -46.233 -32.499 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.580 -45.439 -32.037 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.990 -47.208 -33.293 1.00 25.00 N ATOM 0 H ARG A 474 -14.437 -43.374 -32.383 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.787 -43.421 -29.628 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.979 -44.340 -29.326 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -16.062 -43.124 -30.585 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -15.916 -44.985 -32.285 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.038 -46.129 -30.963 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.227 -45.109 -30.320 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.109 -44.035 -31.700 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.701 -46.737 -32.595 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.333 -44.665 -31.420 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.555 -45.595 -32.295 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.279 -47.834 -33.670 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.971 -47.344 -33.537 1.00 25.00 H new ATOM 897 N LEU A 475 -13.317 -46.174 -31.302 1.00 25.00 N ATOM 898 CA LEU A 475 -12.762 -47.514 -31.278 1.00 25.00 C ATOM 899 C LEU A 475 -11.257 -47.478 -30.989 1.00 25.00 C ATOM 900 O LEU A 475 -10.792 -48.188 -30.107 1.00 25.00 O ATOM 901 CB LEU A 475 -13.066 -48.196 -32.624 1.00 25.00 C ATOM 902 CG LEU A 475 -12.004 -49.119 -33.239 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.863 -50.404 -32.416 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.374 -49.468 -34.667 1.00 25.00 C ATOM 0 H LEU A 475 -13.507 -45.822 -32.240 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.221 -48.090 -30.475 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.979 -48.779 -32.501 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.283 -47.413 -33.350 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.051 -48.591 -33.234 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.106 -51.044 -32.868 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.565 -50.153 -31.398 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.818 -50.930 -32.396 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.612 -50.123 -35.091 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.338 -49.977 -34.679 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.438 -48.555 -35.260 1.00 25.00 H new ATOM 916 N VAL A 476 -10.492 -46.670 -31.716 1.00 25.00 N ATOM 917 CA VAL A 476 -9.037 -46.654 -31.530 1.00 25.00 C ATOM 918 C VAL A 476 -8.716 -46.180 -30.121 1.00 25.00 C ATOM 919 O VAL A 476 -7.782 -46.664 -29.482 1.00 25.00 O ATOM 920 CB VAL A 476 -8.294 -45.815 -32.623 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.669 -44.354 -32.585 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.779 -45.974 -32.486 1.00 25.00 C ATOM 0 H VAL A 476 -10.842 -46.028 -32.427 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.665 -47.671 -31.653 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.612 -46.205 -33.590 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.125 -43.818 -33.363 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.741 -44.249 -32.753 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.412 -43.938 -31.611 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.280 -45.383 -33.254 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.464 -45.628 -31.501 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.511 -47.024 -32.604 1.00 25.00 H new ATOM 932 N HIS A 477 -9.516 -45.252 -29.625 1.00 25.00 N ATOM 933 CA HIS A 477 -9.346 -44.739 -28.287 1.00 25.00 C ATOM 934 C HIS A 477 -9.545 -45.849 -27.261 1.00 25.00 C ATOM 935 O HIS A 477 -8.859 -45.884 -26.253 1.00 25.00 O ATOM 936 CB HIS A 477 -10.336 -43.606 -28.048 1.00 25.00 C ATOM 937 CG HIS A 477 -10.035 -42.805 -26.821 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.928 -41.975 -26.190 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.889 -42.705 -26.098 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.316 -41.429 -25.142 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.069 -41.840 -25.037 1.00 25.00 N ATOM 0 H HIS A 477 -10.295 -44.839 -30.138 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.332 -44.355 -28.177 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.336 -42.944 -28.914 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.340 -44.022 -27.964 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.970 -43.227 -26.321 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.784 -40.734 -24.461 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.386 -41.577 -24.327 1.00 25.00 H new ATOM 949 N ALA A 478 -10.468 -46.767 -27.518 1.00 25.00 N ATOM 950 CA ALA A 478 -10.714 -47.852 -26.579 1.00 25.00 C ATOM 951 C ALA A 478 -9.451 -48.707 -26.410 1.00 25.00 C ATOM 952 O ALA A 478 -9.085 -49.071 -25.298 1.00 25.00 O ATOM 953 CB ALA A 478 -11.890 -48.709 -27.055 1.00 25.00 C ATOM 0 H ALA A 478 -11.050 -46.783 -28.355 1.00 25.00 H new ATOM 0 HA ALA A 478 -10.971 -47.426 -25.609 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.063 -49.517 -26.344 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.785 -48.091 -27.127 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.660 -49.131 -28.034 1.00 25.00 H new ATOM 959 N ILE A 479 -8.776 -49.019 -27.507 1.00 25.00 N ATOM 960 CA ILE A 479 -7.562 -49.835 -27.431 1.00 25.00 C ATOM 961 C ILE A 479 -6.430 -49.013 -26.843 1.00 25.00 C ATOM 962 O ILE A 479 -5.572 -49.539 -26.154 1.00 25.00 O ATOM 963 CB ILE A 479 -7.112 -50.354 -28.808 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.263 -51.072 -29.511 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.929 -51.338 -28.681 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.525 -50.477 -30.823 1.00 25.00 C ATOM 0 H ILE A 479 -9.039 -48.727 -28.448 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.798 -50.693 -26.801 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.797 -49.488 -29.390 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -8.021 -52.128 -29.628 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.161 -51.017 -28.896 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.636 -51.685 -29.672 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.085 -50.834 -28.209 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.229 -52.191 -28.072 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.348 -51.005 -31.304 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.790 -49.427 -30.700 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.632 -50.556 -31.443 1.00 25.00 H new ATOM 978 N ALA A 480 -6.430 -47.714 -27.093 1.00 25.00 N ATOM 979 CA ALA A 480 -5.403 -46.840 -26.539 1.00 25.00 C ATOM 980 C ALA A 480 -5.434 -46.937 -25.006 1.00 25.00 C ATOM 981 O ALA A 480 -4.415 -46.765 -24.338 1.00 25.00 O ATOM 982 CB ALA A 480 -5.622 -45.395 -27.005 1.00 25.00 C ATOM 0 H ALA A 480 -7.124 -47.241 -27.672 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.422 -47.156 -26.894 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.847 -44.755 -26.583 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.575 -45.352 -28.093 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.600 -45.049 -26.671 1.00 25.00 H new ATOM 988 N LEU A 481 -6.601 -47.232 -24.452 1.00 25.00 N ATOM 989 CA LEU A 481 -6.721 -47.396 -23.001 1.00 25.00 C ATOM 990 C LEU A 481 -6.179 -48.744 -22.602 1.00 25.00 C ATOM 991 O LEU A 481 -5.426 -48.866 -21.658 1.00 25.00 O ATOM 992 CB LEU A 481 -8.167 -47.261 -22.545 1.00 25.00 C ATOM 993 CG LEU A 481 -8.707 -45.887 -22.923 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.217 -45.937 -23.015 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.267 -44.801 -21.946 1.00 25.00 C ATOM 0 H LEU A 481 -7.469 -47.362 -24.971 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.144 -46.608 -22.517 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.776 -48.039 -23.005 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.231 -47.402 -21.466 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.290 -45.625 -23.895 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.598 -44.952 -23.285 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.511 -46.661 -23.775 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.631 -46.234 -22.051 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.678 -43.841 -22.260 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.630 -45.042 -20.947 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.179 -44.743 -21.933 1.00 25.00 H new ATOM 1007 N MET A 482 -6.551 -49.769 -23.341 1.00 25.00 N ATOM 1008 CA MET A 482 -6.085 -51.118 -23.039 1.00 25.00 C ATOM 1009 C MET A 482 -4.582 -51.220 -23.152 1.00 25.00 C ATOM 1010 O MET A 482 -3.949 -52.020 -22.474 1.00 25.00 O ATOM 1011 CB MET A 482 -6.734 -52.117 -23.986 1.00 25.00 C ATOM 1012 CG MET A 482 -8.213 -52.023 -23.904 1.00 25.00 C ATOM 1013 SD MET A 482 -9.071 -53.512 -24.449 1.00 25.00 S ATOM 1014 CE MET A 482 -8.929 -53.371 -26.241 1.00 25.00 C ATOM 0 H MET A 482 -7.169 -49.701 -24.150 1.00 25.00 H new ATOM 0 HA MET A 482 -6.368 -51.346 -22.011 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.407 -51.924 -25.008 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.413 -53.128 -23.734 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.497 -51.808 -22.874 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.548 -51.180 -24.509 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.416 -54.225 -26.713 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.409 -52.450 -26.573 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.876 -53.353 -26.522 1.00 25.00 H new ATOM 1024 N THR A 483 -4.001 -50.399 -24.006 1.00 25.00 N ATOM 1025 CA THR A 483 -2.562 -50.475 -24.237 1.00 25.00 C ATOM 1026 C THR A 483 -1.792 -49.659 -23.228 1.00 25.00 C ATOM 1027 O THR A 483 -0.601 -49.878 -23.049 1.00 25.00 O ATOM 1028 CB THR A 483 -2.189 -50.047 -25.655 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.784 -48.786 -25.946 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.704 -51.056 -26.650 1.00 25.00 C ATOM 0 H THR A 483 -4.488 -49.683 -24.545 1.00 25.00 H new ATOM 0 HA THR A 483 -2.284 -51.522 -24.115 1.00 25.00 H new ATOM 0 HB THR A 483 -1.103 -49.978 -25.724 1.00 25.00 H new ATOM 0 HG1 THR A 483 -3.733 -48.913 -26.156 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.434 -50.743 -27.659 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.262 -52.030 -26.442 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.789 -51.125 -26.570 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.459 -48.738 -22.546 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.815 -48.009 -21.454 1.00 25.00 C ATOM 1040 C GLN A 484 -2.100 -48.718 -20.124 1.00 25.00 C ATOM 1041 O GLN A 484 -1.328 -48.591 -19.184 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.201 -46.520 -21.430 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.607 -46.206 -20.971 1.00 25.00 C ATOM 1044 CD GLN A 484 -3.960 -44.753 -21.178 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.868 -43.946 -20.271 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.356 -44.413 -22.376 1.00 25.00 N ATOM 0 H GLN A 484 -3.430 -48.478 -22.722 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.738 -48.018 -21.621 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.502 -45.995 -20.779 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.069 -46.115 -22.433 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.314 -46.832 -21.516 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -3.708 -46.456 -19.915 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.421 -45.117 -23.111 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.600 -43.443 -22.576 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.179 -49.494 -20.049 1.00 25.00 N ATOM 1056 CA PHE A 485 -3.441 -50.306 -18.871 1.00 25.00 C ATOM 1057 C PHE A 485 -2.493 -51.508 -18.882 1.00 25.00 C ATOM 1058 O PHE A 485 -2.001 -51.940 -17.845 1.00 25.00 O ATOM 1059 CB PHE A 485 -4.893 -50.792 -18.864 1.00 25.00 C ATOM 1060 CG PHE A 485 -5.811 -49.951 -18.009 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.573 -48.901 -18.568 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -5.926 -50.216 -16.632 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.434 -48.121 -17.757 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -6.791 -49.446 -15.813 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.543 -48.396 -16.379 1.00 25.00 C ATOM 0 H PHE A 485 -3.879 -49.575 -20.786 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.277 -49.706 -17.976 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.269 -50.799 -19.887 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -4.920 -51.822 -18.507 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.498 -48.691 -19.625 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -5.348 -51.016 -16.193 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.006 -47.316 -18.194 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -6.873 -49.663 -14.758 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.200 -47.805 -15.759 1.00 25.00 H new