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 156:sc= 0 (180deg=-0.322) USER MOD Single : A 433 MET CE :methyl 175:sc= 0 (180deg=-0.0194) USER MOD Single : A 434 THR OG1 : rot 71:sc= 1.11 USER MOD Single : A 436 GLN : amide:sc= 0.00961 X(o=0.0096,f=0) USER MOD Single : A 464 GLN : amide:sc= -0.0805 X(o=-0.08,f=0) USER MOD Single : A 467 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.22) USER MOD Single : A 473 GLN : amide:sc=-0.00719 K(o=-0.0072,f=-0.65) USER MOD Single : A 477 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.00047) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot -78:sc= 0.344 USER MOD Single : A 484 GLN : amide:sc= 0.29 X(o=0.29,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 14.848 -52.232 -23.864 1.00 25.00 N ATOM 114 CA GLU A 419 13.726 -51.424 -23.377 1.00 25.00 C ATOM 115 C GLU A 419 14.254 -50.251 -22.546 1.00 25.00 C ATOM 116 O GLU A 419 13.623 -49.210 -22.469 1.00 25.00 O ATOM 117 CB GLU A 419 12.747 -52.275 -22.545 1.00 25.00 C ATOM 118 CG GLU A 419 12.094 -53.424 -23.332 1.00 25.00 C ATOM 119 CD GLU A 419 11.052 -54.198 -22.511 1.00 25.00 C ATOM 120 OE1 GLU A 419 11.305 -55.385 -22.179 1.00 25.00 O ATOM 121 OE2 GLU A 419 9.983 -53.632 -22.207 1.00 25.00 O ATOM 0 HA GLU A 419 13.181 -51.037 -24.238 1.00 25.00 H new ATOM 0 HB2 GLU A 419 13.279 -52.691 -21.689 1.00 25.00 H new ATOM 0 HB3 GLU A 419 11.964 -51.628 -22.150 1.00 25.00 H new ATOM 0 HG2 GLU A 419 11.618 -53.020 -24.225 1.00 25.00 H new ATOM 0 HG3 GLU A 419 12.869 -54.113 -23.668 1.00 25.00 H new ATOM 128 N VAL A 420 15.427 -50.412 -21.945 1.00 25.00 N ATOM 129 CA VAL A 420 16.038 -49.336 -21.155 1.00 25.00 C ATOM 130 C VAL A 420 16.416 -48.168 -22.067 1.00 25.00 C ATOM 131 O VAL A 420 16.303 -47.008 -21.682 1.00 25.00 O ATOM 132 CB VAL A 420 17.317 -49.824 -20.399 1.00 25.00 C ATOM 133 CG1 VAL A 420 17.854 -48.733 -19.453 1.00 25.00 C ATOM 134 CG2 VAL A 420 17.011 -51.079 -19.597 1.00 25.00 C ATOM 0 H VAL A 420 15.976 -51.271 -21.986 1.00 25.00 H new ATOM 0 HA VAL A 420 15.302 -49.017 -20.417 1.00 25.00 H new ATOM 0 HB VAL A 420 18.079 -50.045 -21.147 1.00 25.00 H new ATOM 0 HG11 VAL A 420 18.743 -49.101 -18.941 1.00 25.00 H new ATOM 0 HG12 VAL A 420 18.109 -47.844 -20.030 1.00 25.00 H new ATOM 0 HG13 VAL A 420 17.090 -48.481 -18.717 1.00 25.00 H new ATOM 0 HG21 VAL A 420 17.911 -51.407 -19.076 1.00 25.00 H new ATOM 0 HG22 VAL A 420 16.229 -50.864 -18.869 1.00 25.00 H new ATOM 0 HG23 VAL A 420 16.674 -51.868 -20.270 1.00 25.00 H new ATOM 144 N SER A 421 16.852 -48.469 -23.282 1.00 25.00 N ATOM 145 CA SER A 421 17.235 -47.423 -24.226 1.00 25.00 C ATOM 146 C SER A 421 16.021 -46.611 -24.656 1.00 25.00 C ATOM 147 O SER A 421 16.089 -45.389 -24.773 1.00 25.00 O ATOM 148 CB SER A 421 17.881 -48.041 -25.460 1.00 25.00 C ATOM 149 OG SER A 421 19.013 -48.817 -25.095 1.00 25.00 O ATOM 0 H SER A 421 16.950 -49.420 -23.637 1.00 25.00 H new ATOM 0 HA SER A 421 17.946 -46.764 -23.727 1.00 25.00 H new ATOM 0 HB2 SER A 421 17.157 -48.667 -25.981 1.00 25.00 H new ATOM 0 HB3 SER A 421 18.180 -47.255 -26.153 1.00 25.00 H new ATOM 0 HG SER A 421 19.415 -49.208 -25.899 1.00 25.00 H new ATOM 155 N ASP A 422 14.908 -47.292 -24.880 1.00 25.00 N ATOM 156 CA ASP A 422 13.675 -46.620 -25.287 1.00 25.00 C ATOM 157 C ASP A 422 13.117 -45.846 -24.105 1.00 25.00 C ATOM 158 O ASP A 422 12.540 -44.771 -24.263 1.00 25.00 O ATOM 159 CB ASP A 422 12.645 -47.639 -25.784 1.00 25.00 C ATOM 160 CG ASP A 422 13.034 -48.263 -27.119 1.00 25.00 C ATOM 161 OD1 ASP A 422 12.568 -49.387 -27.405 1.00 25.00 O ATOM 162 OD2 ASP A 422 13.796 -47.632 -27.886 1.00 25.00 O ATOM 0 H ASP A 422 14.829 -48.305 -24.789 1.00 25.00 H new ATOM 0 HA ASP A 422 13.894 -45.933 -26.104 1.00 25.00 H new ATOM 0 HB2 ASP A 422 12.530 -48.426 -25.039 1.00 25.00 H new ATOM 0 HB3 ASP A 422 11.676 -47.151 -25.884 1.00 25.00 H new ATOM 167 N MET A 423 13.311 -46.384 -22.911 1.00 25.00 N ATOM 168 CA MET A 423 12.859 -45.722 -21.692 1.00 25.00 C ATOM 169 C MET A 423 13.647 -44.428 -21.491 1.00 25.00 C ATOM 170 O MET A 423 13.094 -43.419 -21.087 1.00 25.00 O ATOM 171 CB MET A 423 13.010 -46.654 -20.487 1.00 25.00 C ATOM 172 CG MET A 423 12.437 -46.089 -19.194 1.00 25.00 C ATOM 173 SD MET A 423 12.155 -47.384 -17.947 1.00 25.00 S ATOM 174 CE MET A 423 13.812 -48.077 -17.719 1.00 25.00 C ATOM 0 H MET A 423 13.778 -47.278 -22.757 1.00 25.00 H new ATOM 0 HA MET A 423 11.802 -45.475 -21.787 1.00 25.00 H new ATOM 0 HB2 MET A 423 12.517 -47.601 -20.708 1.00 25.00 H new ATOM 0 HB3 MET A 423 14.068 -46.872 -20.339 1.00 25.00 H new ATOM 0 HG2 MET A 423 13.120 -45.341 -18.791 1.00 25.00 H new ATOM 0 HG3 MET A 423 11.497 -45.580 -19.407 1.00 25.00 H new ATOM 0 HE1 MET A 423 13.879 -48.544 -16.736 1.00 25.00 H new ATOM 0 HE2 MET A 423 14.003 -48.824 -18.489 1.00 25.00 H new ATOM 0 HE3 MET A 423 14.553 -47.281 -17.794 1.00 25.00 H new ATOM 184 N ALA A 424 14.935 -44.449 -21.799 1.00 25.00 N ATOM 185 CA ALA A 424 15.764 -43.253 -21.684 1.00 25.00 C ATOM 186 C ALA A 424 15.339 -42.198 -22.717 1.00 25.00 C ATOM 187 O ALA A 424 15.418 -40.996 -22.465 1.00 25.00 O ATOM 188 CB ALA A 424 17.241 -43.622 -21.874 1.00 25.00 C ATOM 0 H ALA A 424 15.430 -45.277 -22.130 1.00 25.00 H new ATOM 0 HA ALA A 424 15.630 -42.829 -20.689 1.00 25.00 H new ATOM 0 HB1 ALA A 424 17.854 -42.725 -21.787 1.00 25.00 H new ATOM 0 HB2 ALA A 424 17.538 -44.340 -21.110 1.00 25.00 H new ATOM 0 HB3 ALA A 424 17.382 -44.063 -22.861 1.00 25.00 H new ATOM 194 N ALA A 425 14.899 -42.653 -23.882 1.00 25.00 N ATOM 195 CA ALA A 425 14.469 -41.743 -24.936 1.00 25.00 C ATOM 196 C ALA A 425 13.158 -41.042 -24.560 1.00 25.00 C ATOM 197 O ALA A 425 13.020 -39.830 -24.727 1.00 25.00 O ATOM 198 CB ALA A 425 14.301 -42.515 -26.253 1.00 25.00 C ATOM 0 H ALA A 425 14.830 -43.642 -24.121 1.00 25.00 H new ATOM 0 HA ALA A 425 15.234 -40.977 -25.063 1.00 25.00 H new ATOM 0 HB1 ALA A 425 13.979 -41.830 -27.038 1.00 25.00 H new ATOM 0 HB2 ALA A 425 15.252 -42.967 -26.533 1.00 25.00 H new ATOM 0 HB3 ALA A 425 13.552 -43.296 -26.124 1.00 25.00 H new ATOM 204 N VAL A 426 12.194 -41.804 -24.062 1.00 25.00 N ATOM 205 CA VAL A 426 10.896 -41.237 -23.695 1.00 25.00 C ATOM 206 C VAL A 426 11.015 -40.373 -22.445 1.00 25.00 C ATOM 207 O VAL A 426 10.309 -39.391 -22.300 1.00 25.00 O ATOM 208 CB VAL A 426 9.821 -42.349 -23.534 1.00 25.00 C ATOM 209 CG1 VAL A 426 10.069 -43.234 -22.329 1.00 25.00 C ATOM 210 CG2 VAL A 426 8.431 -41.747 -23.466 1.00 25.00 C ATOM 0 H VAL A 426 12.281 -42.808 -23.902 1.00 25.00 H new ATOM 0 HA VAL A 426 10.565 -40.590 -24.508 1.00 25.00 H new ATOM 0 HB VAL A 426 9.895 -42.983 -24.418 1.00 25.00 H new ATOM 0 HG11 VAL A 426 9.288 -43.992 -22.267 1.00 25.00 H new ATOM 0 HG12 VAL A 426 11.039 -43.721 -22.428 1.00 25.00 H new ATOM 0 HG13 VAL A 426 10.059 -42.627 -21.424 1.00 25.00 H new ATOM 0 HG21 VAL A 426 7.695 -42.543 -23.353 1.00 25.00 H new ATOM 0 HG22 VAL A 426 8.368 -41.071 -22.613 1.00 25.00 H new ATOM 0 HG23 VAL A 426 8.229 -41.193 -24.383 1.00 25.00 H new ATOM 220 N GLU A 427 11.935 -40.728 -21.565 1.00 25.00 N ATOM 221 CA GLU A 427 12.210 -39.941 -20.350 1.00 25.00 C ATOM 222 C GLU A 427 12.490 -38.482 -20.704 1.00 25.00 C ATOM 223 O GLU A 427 11.993 -37.573 -20.052 1.00 25.00 O ATOM 224 CB GLU A 427 13.429 -40.503 -19.611 1.00 25.00 C ATOM 225 CG GLU A 427 13.099 -41.340 -18.380 1.00 25.00 C ATOM 226 CD GLU A 427 12.882 -40.488 -17.131 1.00 25.00 C ATOM 227 OE1 GLU A 427 13.803 -39.725 -16.755 1.00 25.00 O ATOM 228 OE2 GLU A 427 11.798 -40.589 -16.520 1.00 25.00 O ATOM 0 H GLU A 427 12.515 -41.562 -21.661 1.00 25.00 H new ATOM 0 HA GLU A 427 11.329 -40.002 -19.711 1.00 25.00 H new ATOM 0 HB2 GLU A 427 14.007 -41.114 -20.304 1.00 25.00 H new ATOM 0 HB3 GLU A 427 14.068 -39.673 -19.309 1.00 25.00 H new ATOM 0 HG2 GLU A 427 12.202 -41.928 -18.575 1.00 25.00 H new ATOM 0 HG3 GLU A 427 13.909 -42.046 -18.197 1.00 25.00 H new ATOM 235 N ALA A 428 13.276 -38.255 -21.748 1.00 25.00 N ATOM 236 CA ALA A 428 13.608 -36.894 -22.160 1.00 25.00 C ATOM 237 C ALA A 428 12.343 -36.127 -22.568 1.00 25.00 C ATOM 238 O ALA A 428 12.200 -34.935 -22.279 1.00 25.00 O ATOM 239 CB ALA A 428 14.613 -36.931 -23.318 1.00 25.00 C ATOM 0 H ALA A 428 13.693 -38.988 -22.322 1.00 25.00 H new ATOM 0 HA ALA A 428 14.061 -36.373 -21.316 1.00 25.00 H new ATOM 0 HB1 ALA A 428 14.857 -35.913 -23.621 1.00 25.00 H new ATOM 0 HB2 ALA A 428 15.521 -37.441 -22.996 1.00 25.00 H new ATOM 0 HB3 ALA A 428 14.177 -37.466 -24.162 1.00 25.00 H new ATOM 245 N ALA A 429 11.427 -36.822 -23.227 1.00 25.00 N ATOM 246 CA ALA A 429 10.177 -36.217 -23.664 1.00 25.00 C ATOM 247 C ALA A 429 9.265 -35.950 -22.460 1.00 25.00 C ATOM 248 O ALA A 429 8.643 -34.906 -22.376 1.00 25.00 O ATOM 249 CB ALA A 429 9.477 -37.131 -24.681 1.00 25.00 C ATOM 0 H ALA A 429 11.526 -37.807 -23.471 1.00 25.00 H new ATOM 0 HA ALA A 429 10.395 -35.264 -24.146 1.00 25.00 H new ATOM 0 HB1 ALA A 429 8.543 -36.670 -25.002 1.00 25.00 H new ATOM 0 HB2 ALA A 429 10.125 -37.277 -25.545 1.00 25.00 H new ATOM 0 HB3 ALA A 429 9.266 -38.095 -24.219 1.00 25.00 H new ATOM 255 N GLU A 430 9.197 -36.888 -21.527 1.00 25.00 N ATOM 256 CA GLU A 430 8.352 -36.738 -20.335 1.00 25.00 C ATOM 257 C GLU A 430 8.822 -35.544 -19.522 1.00 25.00 C ATOM 258 O GLU A 430 8.023 -34.753 -19.006 1.00 25.00 O ATOM 259 CB GLU A 430 8.436 -37.988 -19.457 1.00 25.00 C ATOM 260 CG GLU A 430 7.853 -39.234 -20.091 1.00 25.00 C ATOM 261 CD GLU A 430 6.379 -39.440 -19.751 1.00 25.00 C ATOM 262 OE1 GLU A 430 5.555 -38.561 -20.100 1.00 25.00 O ATOM 263 OE2 GLU A 430 6.037 -40.482 -19.145 1.00 25.00 O ATOM 0 H GLU A 430 9.715 -37.766 -21.566 1.00 25.00 H new ATOM 0 HA GLU A 430 7.322 -36.592 -20.661 1.00 25.00 H new ATOM 0 HB2 GLU A 430 9.481 -38.175 -19.210 1.00 25.00 H new ATOM 0 HB3 GLU A 430 7.916 -37.795 -18.519 1.00 25.00 H new ATOM 0 HG2 GLU A 430 7.966 -39.171 -21.173 1.00 25.00 H new ATOM 0 HG3 GLU A 430 8.422 -40.103 -19.761 1.00 25.00 H new ATOM 270 N LEU A 431 10.134 -35.407 -19.418 1.00 25.00 N ATOM 271 CA LEU A 431 10.726 -34.289 -18.689 1.00 25.00 C ATOM 272 C LEU A 431 10.318 -32.947 -19.291 1.00 25.00 C ATOM 273 O LEU A 431 9.941 -32.031 -18.550 1.00 25.00 O ATOM 274 CB LEU A 431 12.255 -34.406 -18.671 1.00 25.00 C ATOM 275 CG LEU A 431 12.829 -35.447 -17.692 1.00 25.00 C ATOM 276 CD1 LEU A 431 14.300 -35.700 -18.015 1.00 25.00 C ATOM 277 CD2 LEU A 431 12.694 -34.982 -16.236 1.00 25.00 C ATOM 0 H LEU A 431 10.810 -36.052 -19.827 1.00 25.00 H new ATOM 0 HA LEU A 431 10.350 -34.332 -17.667 1.00 25.00 H new ATOM 0 HB2 LEU A 431 12.595 -34.653 -19.677 1.00 25.00 H new ATOM 0 HB3 LEU A 431 12.674 -33.431 -18.423 1.00 25.00 H new ATOM 0 HG LEU A 431 12.259 -36.369 -17.807 1.00 25.00 H new ATOM 0 HD11 LEU A 431 14.703 -36.437 -17.321 1.00 25.00 H new ATOM 0 HD12 LEU A 431 14.389 -36.075 -19.035 1.00 25.00 H new ATOM 0 HD13 LEU A 431 14.859 -34.769 -17.921 1.00 25.00 H new ATOM 0 HD21 LEU A 431 13.109 -35.740 -15.572 1.00 25.00 H new ATOM 0 HD22 LEU A 431 13.236 -34.046 -16.101 1.00 25.00 H new ATOM 0 HD23 LEU A 431 11.641 -34.829 -15.999 1.00 25.00 H new ATOM 289 N GLU A 432 10.370 -32.801 -20.609 1.00 25.00 N ATOM 290 CA GLU A 432 9.953 -31.535 -21.220 1.00 25.00 C ATOM 291 C GLU A 432 8.430 -31.377 -21.193 1.00 25.00 C ATOM 292 O GLU A 432 7.932 -30.255 -21.064 1.00 25.00 O ATOM 293 CB GLU A 432 10.529 -31.321 -22.628 1.00 25.00 C ATOM 294 CG GLU A 432 9.971 -32.203 -23.734 1.00 25.00 C ATOM 295 CD GLU A 432 10.522 -31.818 -25.105 1.00 25.00 C ATOM 296 OE1 GLU A 432 11.272 -30.817 -25.192 1.00 25.00 O ATOM 297 OE2 GLU A 432 10.198 -32.506 -26.094 1.00 25.00 O ATOM 0 H GLU A 432 10.686 -33.517 -21.263 1.00 25.00 H new ATOM 0 HA GLU A 432 10.380 -30.743 -20.605 1.00 25.00 H new ATOM 0 HB2 GLU A 432 10.366 -30.280 -22.908 1.00 25.00 H new ATOM 0 HB3 GLU A 432 11.607 -31.474 -22.582 1.00 25.00 H new ATOM 0 HG2 GLU A 432 10.215 -33.245 -23.525 1.00 25.00 H new ATOM 0 HG3 GLU A 432 8.884 -32.126 -23.745 1.00 25.00 H new ATOM 304 N MET A 433 7.691 -32.478 -21.287 1.00 25.00 N ATOM 305 CA MET A 433 6.228 -32.433 -21.201 1.00 25.00 C ATOM 306 C MET A 433 5.836 -31.864 -19.850 1.00 25.00 C ATOM 307 O MET A 433 4.921 -31.055 -19.750 1.00 25.00 O ATOM 308 CB MET A 433 5.612 -33.833 -21.322 1.00 25.00 C ATOM 309 CG MET A 433 4.621 -33.978 -22.467 1.00 25.00 C ATOM 310 SD MET A 433 5.422 -34.355 -24.038 1.00 25.00 S ATOM 311 CE MET A 433 5.757 -36.135 -23.838 1.00 25.00 C ATOM 0 H MET A 433 8.076 -33.413 -21.423 1.00 25.00 H new ATOM 0 HA MET A 433 5.860 -31.815 -22.020 1.00 25.00 H new ATOM 0 HB2 MET A 433 6.413 -34.561 -21.454 1.00 25.00 H new ATOM 0 HB3 MET A 433 5.109 -34.079 -20.387 1.00 25.00 H new ATOM 0 HG2 MET A 433 3.909 -34.768 -22.228 1.00 25.00 H new ATOM 0 HG3 MET A 433 4.050 -33.055 -22.567 1.00 25.00 H new ATOM 0 HE1 MET A 433 6.171 -36.534 -24.764 1.00 25.00 H new ATOM 0 HE2 MET A 433 6.472 -36.282 -23.028 1.00 25.00 H new ATOM 0 HE3 MET A 433 4.829 -36.656 -23.602 1.00 25.00 H new ATOM 321 N THR A 434 6.542 -32.279 -18.810 1.00 25.00 N ATOM 322 CA THR A 434 6.285 -31.789 -17.459 1.00 25.00 C ATOM 323 C THR A 434 6.502 -30.277 -17.393 1.00 25.00 C ATOM 324 O THR A 434 5.762 -29.564 -16.723 1.00 25.00 O ATOM 325 CB THR A 434 7.194 -32.496 -16.425 1.00 25.00 C ATOM 326 OG1 THR A 434 7.029 -33.913 -16.539 1.00 25.00 O ATOM 327 CG2 THR A 434 6.821 -32.107 -15.001 1.00 25.00 C ATOM 0 H THR A 434 7.301 -32.957 -18.873 1.00 25.00 H new ATOM 0 HA THR A 434 5.247 -32.014 -17.214 1.00 25.00 H new ATOM 0 HB THR A 434 8.222 -32.195 -16.628 1.00 25.00 H new ATOM 0 HG1 THR A 434 7.432 -34.223 -17.377 1.00 25.00 H new ATOM 0 HG21 THR A 434 7.478 -32.621 -14.299 1.00 25.00 H new ATOM 0 HG22 THR A 434 6.930 -31.029 -14.878 1.00 25.00 H new ATOM 0 HG23 THR A 434 5.787 -32.392 -14.805 1.00 25.00 H new ATOM 335 N ARG A 435 7.498 -29.764 -18.102 1.00 25.00 N ATOM 336 CA ARG A 435 7.720 -28.313 -18.107 1.00 25.00 C ATOM 337 C ARG A 435 6.555 -27.653 -18.822 1.00 25.00 C ATOM 338 O ARG A 435 6.036 -26.642 -18.372 1.00 25.00 O ATOM 339 CB ARG A 435 9.027 -27.933 -18.820 1.00 25.00 C ATOM 340 CG ARG A 435 10.282 -28.590 -18.261 1.00 25.00 C ATOM 341 CD ARG A 435 10.564 -28.205 -16.812 1.00 25.00 C ATOM 342 NE ARG A 435 11.756 -28.910 -16.310 1.00 25.00 N ATOM 343 CZ ARG A 435 13.014 -28.509 -16.461 1.00 25.00 C ATOM 344 NH1 ARG A 435 13.331 -27.398 -17.085 1.00 25.00 N ATOM 345 NH2 ARG A 435 13.975 -29.247 -15.979 1.00 25.00 N ATOM 0 H ARG A 435 8.151 -30.306 -18.668 1.00 25.00 H new ATOM 0 HA ARG A 435 7.796 -27.973 -17.074 1.00 25.00 H new ATOM 0 HB2 ARG A 435 8.937 -28.195 -19.874 1.00 25.00 H new ATOM 0 HB3 ARG A 435 9.149 -26.851 -18.770 1.00 25.00 H new ATOM 0 HG2 ARG A 435 10.179 -29.673 -18.330 1.00 25.00 H new ATOM 0 HG3 ARG A 435 11.136 -28.311 -18.878 1.00 25.00 H new ATOM 0 HD2 ARG A 435 10.714 -27.128 -16.739 1.00 25.00 H new ATOM 0 HD3 ARG A 435 9.702 -28.449 -16.191 1.00 25.00 H new ATOM 0 HE ARG A 435 11.603 -29.781 -15.803 1.00 25.00 H new ATOM 0 HH11 ARG A 435 12.598 -26.806 -17.476 1.00 25.00 H new ATOM 0 HH12 ARG A 435 14.310 -27.127 -17.179 1.00 25.00 H new ATOM 0 HH21 ARG A 435 13.756 -30.118 -15.495 1.00 25.00 H new ATOM 0 HH22 ARG A 435 14.946 -28.954 -16.086 1.00 25.00 H new ATOM 359 N GLN A 436 6.142 -28.239 -19.934 1.00 25.00 N ATOM 360 CA GLN A 436 5.061 -27.682 -20.737 1.00 25.00 C ATOM 361 C GLN A 436 3.738 -27.600 -19.976 1.00 25.00 C ATOM 362 O GLN A 436 3.065 -26.577 -20.026 1.00 25.00 O ATOM 363 CB GLN A 436 4.879 -28.483 -22.006 1.00 25.00 C ATOM 364 CG GLN A 436 5.823 -28.018 -23.071 1.00 25.00 C ATOM 365 CD GLN A 436 6.059 -29.066 -24.090 1.00 25.00 C ATOM 366 OE1 GLN A 436 5.233 -29.318 -24.947 1.00 25.00 O ATOM 367 NE2 GLN A 436 7.183 -29.692 -24.001 1.00 25.00 N ATOM 0 H GLN A 436 6.539 -29.103 -20.304 1.00 25.00 H new ATOM 0 HA GLN A 436 5.351 -26.661 -20.986 1.00 25.00 H new ATOM 0 HB2 GLN A 436 5.048 -29.540 -21.801 1.00 25.00 H new ATOM 0 HB3 GLN A 436 3.852 -28.387 -22.358 1.00 25.00 H new ATOM 0 HG2 GLN A 436 5.419 -27.127 -23.552 1.00 25.00 H new ATOM 0 HG3 GLN A 436 6.772 -27.732 -22.617 1.00 25.00 H new ATOM 0 HE21 GLN A 436 7.846 -29.447 -23.266 1.00 25.00 H new ATOM 0 HE22 GLN A 436 7.409 -30.432 -24.666 1.00 25.00 H new ATOM 376 N VAL A 437 3.367 -28.657 -19.267 1.00 25.00 N ATOM 377 CA VAL A 437 2.096 -28.664 -18.533 1.00 25.00 C ATOM 378 C VAL A 437 2.096 -27.676 -17.374 1.00 25.00 C ATOM 379 O VAL A 437 1.079 -27.058 -17.083 1.00 25.00 O ATOM 380 CB VAL A 437 1.709 -30.088 -18.011 1.00 25.00 C ATOM 381 CG1 VAL A 437 1.425 -31.023 -19.196 1.00 25.00 C ATOM 382 CG2 VAL A 437 2.773 -30.696 -17.117 1.00 25.00 C ATOM 0 H VAL A 437 3.915 -29.513 -19.181 1.00 25.00 H new ATOM 0 HA VAL A 437 1.343 -28.352 -19.257 1.00 25.00 H new ATOM 0 HB VAL A 437 0.811 -29.971 -17.405 1.00 25.00 H new ATOM 0 HG11 VAL A 437 1.157 -32.012 -18.823 1.00 25.00 H new ATOM 0 HG12 VAL A 437 0.601 -30.622 -19.787 1.00 25.00 H new ATOM 0 HG13 VAL A 437 2.315 -31.100 -19.820 1.00 25.00 H new ATOM 0 HG21 VAL A 437 2.449 -31.683 -16.786 1.00 25.00 H new ATOM 0 HG22 VAL A 437 3.706 -30.788 -17.673 1.00 25.00 H new ATOM 0 HG23 VAL A 437 2.929 -30.055 -16.249 1.00 25.00 H new ATOM 392 N LEU A 438 3.236 -27.510 -16.723 1.00 25.00 N ATOM 393 CA LEU A 438 3.349 -26.555 -15.622 1.00 25.00 C ATOM 394 C LEU A 438 3.232 -25.127 -16.144 1.00 25.00 C ATOM 395 O LEU A 438 2.629 -24.274 -15.500 1.00 25.00 O ATOM 396 CB LEU A 438 4.684 -26.732 -14.889 1.00 25.00 C ATOM 397 CG LEU A 438 4.800 -27.995 -14.016 1.00 25.00 C ATOM 398 CD1 LEU A 438 6.243 -28.156 -13.540 1.00 25.00 C ATOM 399 CD2 LEU A 438 3.860 -27.938 -12.807 1.00 25.00 C ATOM 0 H LEU A 438 4.095 -28.019 -16.933 1.00 25.00 H new ATOM 0 HA LEU A 438 2.536 -26.745 -14.922 1.00 25.00 H new ATOM 0 HB2 LEU A 438 5.485 -26.748 -15.628 1.00 25.00 H new ATOM 0 HB3 LEU A 438 4.850 -25.859 -14.258 1.00 25.00 H new ATOM 0 HG LEU A 438 4.509 -28.852 -14.624 1.00 25.00 H new ATOM 0 HD11 LEU A 438 6.325 -29.050 -12.922 1.00 25.00 H new ATOM 0 HD12 LEU A 438 6.902 -28.250 -14.403 1.00 25.00 H new ATOM 0 HD13 LEU A 438 6.533 -27.283 -12.955 1.00 25.00 H new ATOM 0 HD21 LEU A 438 3.972 -28.847 -12.216 1.00 25.00 H new ATOM 0 HD22 LEU A 438 4.110 -27.073 -12.193 1.00 25.00 H new ATOM 0 HD23 LEU A 438 2.829 -27.853 -13.151 1.00 25.00 H new ATOM 720 N ALA A 462 -18.736 -32.202 -44.549 1.00 25.00 N ATOM 721 CA ALA A 462 -17.520 -32.417 -43.779 1.00 25.00 C ATOM 722 C ALA A 462 -17.871 -33.099 -42.452 1.00 25.00 C ATOM 723 O ALA A 462 -17.231 -34.068 -42.046 1.00 25.00 O ATOM 724 CB ALA A 462 -16.812 -31.080 -43.528 1.00 25.00 C ATOM 0 HA ALA A 462 -16.844 -33.062 -44.340 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.903 -31.252 -42.951 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.554 -30.620 -44.482 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.474 -30.416 -42.972 1.00 25.00 H new ATOM 730 N LEU A 463 -18.897 -32.595 -41.777 1.00 25.00 N ATOM 731 CA LEU A 463 -19.287 -33.141 -40.485 1.00 25.00 C ATOM 732 C LEU A 463 -19.841 -34.545 -40.621 1.00 25.00 C ATOM 733 O LEU A 463 -19.615 -35.360 -39.756 1.00 25.00 O ATOM 734 CB LEU A 463 -20.269 -32.209 -39.751 1.00 25.00 C ATOM 735 CG LEU A 463 -21.794 -32.384 -39.902 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.388 -33.439 -38.952 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.451 -31.062 -39.612 1.00 25.00 C ATOM 0 H LEU A 463 -19.469 -31.815 -42.100 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.388 -33.207 -39.873 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.043 -32.281 -38.687 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.033 -31.190 -40.058 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.980 -32.728 -40.920 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.464 -33.509 -39.113 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.928 -34.407 -39.150 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.194 -33.149 -37.919 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.532 -31.163 -39.713 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.209 -30.751 -38.596 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -22.089 -30.313 -40.317 1.00 25.00 H new ATOM 749 N GLN A 464 -20.552 -34.856 -41.694 1.00 25.00 N ATOM 750 CA GLN A 464 -21.063 -36.217 -41.842 1.00 25.00 C ATOM 751 C GLN A 464 -19.912 -37.215 -41.990 1.00 25.00 C ATOM 752 O GLN A 464 -20.031 -38.374 -41.598 1.00 25.00 O ATOM 753 CB GLN A 464 -22.084 -36.317 -42.976 1.00 25.00 C ATOM 754 CG GLN A 464 -21.535 -36.479 -44.386 1.00 25.00 C ATOM 755 CD GLN A 464 -22.632 -36.795 -45.374 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.896 -36.044 -46.305 1.00 25.00 O ATOM 757 NE2 GLN A 464 -23.283 -37.905 -45.169 1.00 25.00 N ATOM 0 H GLN A 464 -20.784 -34.214 -42.452 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.600 -36.482 -40.931 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -22.740 -37.163 -42.768 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -22.704 -35.420 -42.954 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -21.026 -35.563 -44.687 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -20.792 -37.276 -44.399 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -23.034 -38.505 -44.382 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.042 -38.174 -45.795 1.00 25.00 H new ATOM 766 N GLY A 465 -18.784 -36.754 -42.518 1.00 25.00 N ATOM 767 CA GLY A 465 -17.601 -37.585 -42.584 1.00 25.00 C ATOM 768 C GLY A 465 -17.087 -37.742 -41.172 1.00 25.00 C ATOM 769 O GLY A 465 -16.779 -38.841 -40.747 1.00 25.00 O ATOM 0 H GLY A 465 -18.670 -35.816 -42.902 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.837 -38.557 -43.018 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.844 -37.127 -43.221 1.00 25.00 H new ATOM 773 N ALA A 466 -17.024 -36.637 -40.436 1.00 25.00 N ATOM 774 CA ALA A 466 -16.564 -36.649 -39.044 1.00 25.00 C ATOM 775 C ALA A 466 -17.372 -37.642 -38.195 1.00 25.00 C ATOM 776 O ALA A 466 -16.825 -38.331 -37.354 1.00 25.00 O ATOM 777 CB ALA A 466 -16.657 -35.241 -38.439 1.00 25.00 C ATOM 0 H ALA A 466 -17.287 -35.713 -40.780 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.523 -36.971 -39.041 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.312 -35.266 -37.405 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.033 -34.556 -39.013 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.692 -34.900 -38.468 1.00 25.00 H new ATOM 783 N GLN A 467 -18.671 -37.716 -38.428 1.00 25.00 N ATOM 784 CA GLN A 467 -19.527 -38.649 -37.696 1.00 25.00 C ATOM 785 C GLN A 467 -19.194 -40.101 -38.038 1.00 25.00 C ATOM 786 O GLN A 467 -19.145 -40.960 -37.165 1.00 25.00 O ATOM 787 CB GLN A 467 -20.983 -38.402 -38.068 1.00 25.00 C ATOM 788 CG GLN A 467 -21.525 -37.030 -37.661 1.00 25.00 C ATOM 789 CD GLN A 467 -21.566 -36.807 -36.170 1.00 25.00 C ATOM 790 OE1 GLN A 467 -21.899 -37.688 -35.401 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.233 -35.609 -35.759 1.00 25.00 N ATOM 0 H GLN A 467 -19.161 -37.144 -39.116 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.359 -38.484 -36.632 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.092 -38.515 -39.147 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.598 -39.173 -37.603 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.908 -36.256 -38.117 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.531 -36.914 -38.064 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -20.959 -34.896 -36.435 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -21.248 -35.389 -34.763 1.00 25.00 H new ATOM 800 N ALA A 468 -18.975 -40.376 -39.317 1.00 25.00 N ATOM 801 CA ALA A 468 -18.680 -41.736 -39.757 1.00 25.00 C ATOM 802 C ALA A 468 -17.327 -42.192 -39.203 1.00 25.00 C ATOM 803 O ALA A 468 -17.188 -43.308 -38.702 1.00 25.00 O ATOM 804 CB ALA A 468 -18.685 -41.803 -41.292 1.00 25.00 C ATOM 0 H ALA A 468 -18.995 -39.682 -40.064 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.450 -42.407 -39.376 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -18.464 -42.821 -41.612 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.666 -41.510 -41.666 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.928 -41.126 -41.688 1.00 25.00 H new ATOM 810 N VAL A 469 -16.332 -41.321 -39.284 1.00 25.00 N ATOM 811 CA VAL A 469 -14.997 -41.660 -38.797 1.00 25.00 C ATOM 812 C VAL A 469 -14.983 -41.732 -37.279 1.00 25.00 C ATOM 813 O VAL A 469 -14.168 -42.439 -36.716 1.00 25.00 O ATOM 814 CB VAL A 469 -13.893 -40.677 -39.305 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.923 -40.591 -40.834 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.062 -39.295 -38.719 1.00 25.00 C ATOM 0 H VAL A 469 -16.418 -40.384 -39.677 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.758 -42.641 -39.208 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.931 -41.070 -38.977 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -13.149 -39.903 -41.175 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.743 -41.579 -41.258 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.899 -40.230 -41.159 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.276 -38.641 -39.096 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.035 -38.895 -39.005 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.998 -39.350 -37.632 1.00 25.00 H new ATOM 826 N ALA A 470 -15.878 -41.011 -36.614 1.00 25.00 N ATOM 827 CA ALA A 470 -15.925 -40.998 -35.147 1.00 25.00 C ATOM 828 C ALA A 470 -16.100 -42.402 -34.574 1.00 25.00 C ATOM 829 O ALA A 470 -15.598 -42.690 -33.491 1.00 25.00 O ATOM 830 CB ALA A 470 -17.047 -40.082 -34.644 1.00 25.00 C ATOM 0 H ALA A 470 -16.583 -40.426 -37.062 1.00 25.00 H new ATOM 0 HA ALA A 470 -14.968 -40.609 -34.799 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.061 -40.089 -33.554 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.873 -39.066 -34.998 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.005 -40.439 -35.022 1.00 25.00 H new ATOM 836 N ALA A 471 -16.785 -43.280 -35.295 1.00 25.00 N ATOM 837 CA ALA A 471 -16.947 -44.658 -34.844 1.00 25.00 C ATOM 838 C ALA A 471 -15.574 -45.348 -34.779 1.00 25.00 C ATOM 839 O ALA A 471 -15.294 -46.103 -33.858 1.00 25.00 O ATOM 840 CB ALA A 471 -17.892 -45.413 -35.786 1.00 25.00 C ATOM 0 H ALA A 471 -17.234 -43.067 -36.186 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.386 -44.662 -33.846 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -18.006 -46.440 -35.440 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.866 -44.923 -35.794 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.477 -45.413 -36.794 1.00 25.00 H new ATOM 846 N ALA A 472 -14.722 -45.067 -35.754 1.00 25.00 N ATOM 847 CA ALA A 472 -13.367 -45.611 -35.774 1.00 25.00 C ATOM 848 C ALA A 472 -12.496 -44.930 -34.712 1.00 25.00 C ATOM 849 O ALA A 472 -11.614 -45.550 -34.137 1.00 25.00 O ATOM 850 CB ALA A 472 -12.748 -45.440 -37.168 1.00 25.00 C ATOM 0 H ALA A 472 -14.944 -44.463 -36.546 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.417 -46.675 -35.543 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.738 -45.849 -37.170 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.355 -45.968 -37.903 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.711 -44.381 -37.422 1.00 25.00 H new ATOM 856 N GLN A 473 -12.739 -43.653 -34.455 1.00 25.00 N ATOM 857 CA GLN A 473 -11.946 -42.918 -33.474 1.00 25.00 C ATOM 858 C GLN A 473 -12.235 -43.386 -32.059 1.00 25.00 C ATOM 859 O GLN A 473 -11.327 -43.621 -31.275 1.00 25.00 O ATOM 860 CB GLN A 473 -12.229 -41.417 -33.549 1.00 25.00 C ATOM 861 CG GLN A 473 -11.930 -40.778 -34.892 1.00 25.00 C ATOM 862 CD GLN A 473 -10.460 -40.775 -35.247 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.598 -40.755 -34.391 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.174 -40.807 -36.523 1.00 25.00 N ATOM 0 H GLN A 473 -13.472 -43.106 -34.906 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.901 -43.111 -33.714 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.278 -41.247 -33.308 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.640 -40.912 -32.783 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.482 -41.308 -35.668 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.296 -39.751 -34.886 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.924 -40.823 -37.214 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.201 -40.816 -36.827 1.00 25.00 H new ATOM 873 N ARG A 474 -13.506 -43.540 -31.723 1.00 25.00 N ATOM 874 CA ARG A 474 -13.860 -44.034 -30.387 1.00 25.00 C ATOM 875 C ARG A 474 -13.347 -45.459 -30.221 1.00 25.00 C ATOM 876 O ARG A 474 -13.061 -45.898 -29.117 1.00 25.00 O ATOM 877 CB ARG A 474 -15.370 -43.958 -30.128 1.00 25.00 C ATOM 878 CG ARG A 474 -16.233 -44.873 -30.981 1.00 25.00 C ATOM 879 CD ARG A 474 -17.710 -44.649 -30.707 1.00 25.00 C ATOM 880 NE ARG A 474 -18.070 -45.025 -29.327 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.271 -44.873 -28.775 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.281 -44.353 -29.430 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.453 -45.241 -27.538 1.00 25.00 N ATOM 0 H ARG A 474 -14.297 -43.338 -32.334 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.384 -43.391 -29.647 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.552 -44.192 -29.079 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.696 -42.930 -30.287 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.025 -44.694 -32.036 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -15.976 -45.913 -30.778 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -17.957 -43.601 -30.875 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.304 -45.233 -31.410 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.338 -45.436 -28.748 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.160 -44.049 -30.396 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.187 -44.252 -28.973 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -18.680 -45.640 -27.006 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.369 -45.130 -27.102 1.00 25.00 H new ATOM 897 N LEU A 475 -13.222 -46.163 -31.334 1.00 25.00 N ATOM 898 CA LEU A 475 -12.690 -47.517 -31.338 1.00 25.00 C ATOM 899 C LEU A 475 -11.184 -47.498 -31.062 1.00 25.00 C ATOM 900 O LEU A 475 -10.720 -48.213 -30.186 1.00 25.00 O ATOM 901 CB LEU A 475 -12.995 -48.184 -32.692 1.00 25.00 C ATOM 902 CG LEU A 475 -11.954 -49.147 -33.286 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.837 -50.429 -32.449 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.327 -49.504 -34.711 1.00 25.00 C ATOM 0 H LEU A 475 -13.485 -45.815 -32.256 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.167 -48.096 -30.547 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.932 -48.731 -32.588 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.168 -47.392 -33.420 1.00 25.00 H new ATOM 0 HG LEU A 475 -10.989 -48.641 -33.276 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.093 -51.089 -32.896 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.533 -50.174 -31.434 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.802 -50.936 -32.423 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.583 -50.186 -35.122 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.305 -49.985 -34.722 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.361 -48.598 -35.316 1.00 25.00 H new ATOM 916 N VAL A 476 -10.415 -46.698 -31.792 1.00 25.00 N ATOM 917 CA VAL A 476 -8.961 -46.692 -31.599 1.00 25.00 C ATOM 918 C VAL A 476 -8.648 -46.206 -30.191 1.00 25.00 C ATOM 919 O VAL A 476 -7.734 -46.703 -29.531 1.00 25.00 O ATOM 920 CB VAL A 476 -8.209 -45.880 -32.706 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.575 -44.416 -32.705 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.696 -46.044 -32.561 1.00 25.00 C ATOM 0 H VAL A 476 -10.759 -46.058 -32.508 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.588 -47.711 -31.704 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.527 -46.291 -33.664 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.024 -43.903 -33.493 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.645 -44.308 -32.882 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.321 -43.978 -31.740 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.192 -45.472 -33.340 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.383 -45.680 -31.583 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.433 -47.098 -32.657 1.00 25.00 H new ATOM 932 N HIS A 477 -9.433 -45.254 -29.719 1.00 25.00 N ATOM 933 CA HIS A 477 -9.272 -44.736 -28.383 1.00 25.00 C ATOM 934 C HIS A 477 -9.552 -45.826 -27.355 1.00 25.00 C ATOM 935 O HIS A 477 -8.906 -45.874 -26.326 1.00 25.00 O ATOM 936 CB HIS A 477 -10.203 -43.544 -28.178 1.00 25.00 C ATOM 937 CG HIS A 477 -9.856 -42.722 -26.976 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.671 -41.770 -26.418 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.729 -42.709 -26.217 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.035 -41.240 -25.375 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.846 -41.780 -25.204 1.00 25.00 N ATOM 0 H HIS A 477 -10.191 -44.825 -30.249 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.243 -44.403 -28.249 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.171 -42.910 -29.064 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.227 -43.904 -28.080 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.865 -43.336 -26.383 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.444 -40.463 -24.746 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.161 -41.560 -24.481 1.00 25.00 H new ATOM 949 N ALA A 478 -10.496 -46.718 -27.634 1.00 25.00 N ATOM 950 CA ALA A 478 -10.802 -47.792 -26.698 1.00 25.00 C ATOM 951 C ALA A 478 -9.560 -48.651 -26.449 1.00 25.00 C ATOM 952 O ALA A 478 -9.261 -48.993 -25.314 1.00 25.00 O ATOM 953 CB ALA A 478 -11.959 -48.651 -27.220 1.00 25.00 C ATOM 0 H ALA A 478 -11.055 -46.720 -28.487 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.110 -47.348 -25.751 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.172 -49.447 -26.507 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.846 -48.030 -27.345 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.683 -49.088 -28.180 1.00 25.00 H new ATOM 959 N ILE A 479 -8.830 -48.993 -27.500 1.00 25.00 N ATOM 960 CA ILE A 479 -7.633 -49.823 -27.339 1.00 25.00 C ATOM 961 C ILE A 479 -6.537 -49.006 -26.677 1.00 25.00 C ATOM 962 O ILE A 479 -5.742 -49.530 -25.909 1.00 25.00 O ATOM 963 CB ILE A 479 -7.100 -50.362 -28.682 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.214 -51.071 -29.457 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.939 -51.361 -28.459 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.401 -50.476 -30.793 1.00 25.00 C ATOM 0 H ILE A 479 -9.036 -48.717 -28.460 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.916 -50.676 -26.723 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.737 -49.508 -29.254 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.972 -52.129 -29.559 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.146 -51.009 -28.896 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.582 -51.725 -29.422 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.124 -50.861 -27.936 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.292 -52.201 -27.861 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.199 -51.002 -31.317 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.667 -49.424 -30.689 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.475 -50.561 -31.362 1.00 25.00 H new ATOM 978 N ALA A 480 -6.501 -47.713 -26.953 1.00 25.00 N ATOM 979 CA ALA A 480 -5.505 -46.841 -26.345 1.00 25.00 C ATOM 980 C ALA A 480 -5.680 -46.873 -24.817 1.00 25.00 C ATOM 981 O ALA A 480 -4.728 -46.680 -24.060 1.00 25.00 O ATOM 982 CB ALA A 480 -5.643 -45.412 -26.894 1.00 25.00 C ATOM 0 H ALA A 480 -7.145 -47.244 -27.590 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.503 -47.191 -26.592 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.893 -44.771 -26.431 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.496 -45.421 -27.974 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.638 -45.029 -26.666 1.00 25.00 H new ATOM 988 N LEU A 481 -6.898 -47.138 -24.364 1.00 25.00 N ATOM 989 CA LEU A 481 -7.156 -47.254 -22.928 1.00 25.00 C ATOM 990 C LEU A 481 -6.714 -48.606 -22.446 1.00 25.00 C ATOM 991 O LEU A 481 -6.081 -48.719 -21.427 1.00 25.00 O ATOM 992 CB LEU A 481 -8.625 -47.048 -22.599 1.00 25.00 C ATOM 993 CG LEU A 481 -9.055 -45.660 -23.043 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.550 -45.651 -23.283 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.668 -44.580 -22.043 1.00 25.00 C ATOM 0 H LEU A 481 -7.716 -47.276 -24.958 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.590 -46.472 -22.422 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -9.230 -47.805 -23.099 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.788 -47.165 -21.528 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.528 -45.428 -23.969 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.861 -44.656 -23.602 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.798 -46.375 -24.059 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -11.068 -45.915 -22.361 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.999 -43.609 -22.410 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -9.142 -44.786 -21.083 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.585 -44.571 -21.918 1.00 25.00 H new ATOM 1007 N MET A 482 -7.036 -49.644 -23.192 1.00 25.00 N ATOM 1008 CA MET A 482 -6.647 -50.997 -22.797 1.00 25.00 C ATOM 1009 C MET A 482 -5.148 -51.136 -22.700 1.00 25.00 C ATOM 1010 O MET A 482 -4.633 -51.924 -21.910 1.00 25.00 O ATOM 1011 CB MET A 482 -7.172 -52.014 -23.800 1.00 25.00 C ATOM 1012 CG MET A 482 -8.641 -51.922 -23.907 1.00 25.00 C ATOM 1013 SD MET A 482 -9.434 -53.420 -24.516 1.00 25.00 S ATOM 1014 CE MET A 482 -9.158 -53.259 -26.282 1.00 25.00 C ATOM 0 H MET A 482 -7.559 -49.586 -24.066 1.00 25.00 H new ATOM 0 HA MET A 482 -7.081 -51.184 -21.815 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.719 -51.839 -24.776 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.886 -53.019 -23.491 1.00 25.00 H new ATOM 0 HG2 MET A 482 -9.051 -51.681 -22.926 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.894 -51.095 -24.570 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.594 -54.115 -26.798 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.626 -52.342 -26.641 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.087 -53.222 -26.481 1.00 25.00 H new ATOM 1024 N THR A 483 -4.439 -50.360 -23.496 1.00 25.00 N ATOM 1025 CA THR A 483 -2.988 -50.486 -23.530 1.00 25.00 C ATOM 1026 C THR A 483 -2.359 -49.751 -22.359 1.00 25.00 C ATOM 1027 O THR A 483 -1.342 -50.189 -21.826 1.00 25.00 O ATOM 1028 CB THR A 483 -2.421 -50.015 -24.869 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.969 -48.741 -25.200 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.809 -50.993 -25.972 1.00 25.00 C ATOM 0 H THR A 483 -4.829 -49.650 -24.116 1.00 25.00 H new ATOM 0 HA THR A 483 -2.735 -51.542 -23.432 1.00 25.00 H new ATOM 0 HB THR A 483 -1.336 -49.955 -24.783 1.00 25.00 H new ATOM 0 HG1 THR A 483 -3.881 -48.855 -25.539 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.401 -50.650 -26.923 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.409 -51.980 -25.740 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.895 -51.049 -26.043 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.965 -48.655 -21.923 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.464 -47.971 -20.736 1.00 25.00 C ATOM 1040 C GLN A 484 -2.978 -48.668 -19.469 1.00 25.00 C ATOM 1041 O GLN A 484 -2.302 -48.657 -18.454 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.795 -46.470 -20.752 1.00 25.00 C ATOM 1043 CG GLN A 484 -4.260 -46.127 -20.632 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.525 -44.659 -20.852 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.539 -43.878 -19.923 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.729 -44.281 -22.086 1.00 25.00 N ATOM 0 H GLN A 484 -3.783 -48.228 -22.359 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.376 -48.036 -20.738 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -2.259 -45.989 -19.934 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.414 -46.041 -21.679 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.828 -46.709 -21.358 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.618 -46.414 -19.643 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.709 -44.968 -22.840 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.908 -43.299 -22.296 1.00 25.00 H new ATOM 1055 N PHE A 485 -4.150 -49.293 -19.521 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.681 -50.009 -18.367 1.00 25.00 C ATOM 1057 C PHE A 485 -3.823 -51.236 -18.082 1.00 25.00 C ATOM 1058 O PHE A 485 -3.569 -51.568 -16.934 1.00 25.00 O ATOM 1059 CB PHE A 485 -6.118 -50.455 -18.647 1.00 25.00 C ATOM 1060 CG PHE A 485 -7.171 -49.502 -18.123 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.263 -48.175 -18.597 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -8.087 -49.938 -17.145 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.263 -47.298 -18.110 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -9.093 -49.067 -16.652 1.00 25.00 C ATOM 1065 CZ PHE A 485 -9.178 -47.746 -17.138 1.00 25.00 C ATOM 0 H PHE A 485 -4.748 -49.318 -20.347 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.668 -49.345 -17.503 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.249 -50.569 -19.723 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.277 -51.437 -18.201 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.562 -47.824 -19.340 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -8.023 -50.947 -16.766 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.324 -46.287 -18.484 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -9.792 -49.415 -15.906 1.00 25.00 H new ATOM 0 HZ PHE A 485 -9.942 -47.080 -16.766 1.00 25.00 H new