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 -162:sc= -0.104 (180deg=-0.497) USER MOD Single : A 433 MET CE :methyl 158:sc= 0 (180deg=-0.0606) USER MOD Single : A 434 THR OG1 : rot 72:sc= 1.04 USER MOD Single : A 436 GLN : amide:sc= 0.526 K(o=0.53,f=0) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 467 GLN : amide:sc=-0.000142 X(o=-0.00014,f=-0.35) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 477 HIS : no HD1:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.294 X(o=0.29,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -3.723 -14.193 -49.508 1.00 25.00 N ATOM 114 CA GLU A 419 -4.972 -14.267 -48.758 1.00 25.00 C ATOM 115 C GLU A 419 -5.156 -15.640 -48.115 1.00 25.00 C ATOM 116 O GLU A 419 -5.884 -15.779 -47.152 1.00 25.00 O ATOM 117 CB GLU A 419 -6.145 -14.011 -49.706 1.00 25.00 C ATOM 118 CG GLU A 419 -6.118 -12.639 -50.374 1.00 25.00 C ATOM 119 CD GLU A 419 -7.221 -12.492 -51.405 1.00 25.00 C ATOM 120 OE1 GLU A 419 -8.059 -11.582 -51.286 1.00 25.00 O ATOM 121 OE2 GLU A 419 -7.234 -13.304 -52.358 1.00 25.00 O ATOM 0 HA GLU A 419 -4.938 -13.514 -47.970 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -6.148 -14.780 -50.479 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -7.077 -14.114 -49.150 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -6.224 -11.863 -49.615 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -5.151 -12.487 -50.853 1.00 25.00 H new ATOM 128 N VAL A 420 -4.494 -16.659 -48.646 1.00 25.00 N ATOM 129 CA VAL A 420 -4.600 -18.011 -48.091 1.00 25.00 C ATOM 130 C VAL A 420 -3.804 -18.072 -46.785 1.00 25.00 C ATOM 131 O VAL A 420 -4.177 -18.773 -45.849 1.00 25.00 O ATOM 132 CB VAL A 420 -4.092 -19.085 -49.103 1.00 25.00 C ATOM 133 CG1 VAL A 420 -4.266 -20.504 -48.538 1.00 25.00 C ATOM 134 CG2 VAL A 420 -4.868 -18.970 -50.417 1.00 25.00 C ATOM 0 H VAL A 420 -3.880 -16.581 -49.456 1.00 25.00 H new ATOM 0 HA VAL A 420 -5.648 -18.233 -47.892 1.00 25.00 H new ATOM 0 HB VAL A 420 -3.031 -18.906 -49.279 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -3.904 -21.232 -49.264 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -3.697 -20.600 -47.613 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -5.321 -20.688 -48.335 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -4.508 -19.722 -51.119 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -5.930 -19.128 -50.228 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -4.719 -17.977 -50.842 1.00 25.00 H new ATOM 144 N SER A 421 -2.718 -17.317 -46.712 1.00 25.00 N ATOM 145 CA SER A 421 -1.924 -17.264 -45.490 1.00 25.00 C ATOM 146 C SER A 421 -2.732 -16.563 -44.410 1.00 25.00 C ATOM 147 O SER A 421 -2.709 -16.948 -43.244 1.00 25.00 O ATOM 148 CB SER A 421 -0.629 -16.497 -45.728 1.00 25.00 C ATOM 149 OG SER A 421 0.113 -17.080 -46.789 1.00 25.00 O ATOM 0 H SER A 421 -2.368 -16.738 -47.475 1.00 25.00 H new ATOM 0 HA SER A 421 -1.677 -18.279 -45.180 1.00 25.00 H new ATOM 0 HB2 SER A 421 -0.855 -15.457 -45.964 1.00 25.00 H new ATOM 0 HB3 SER A 421 -0.030 -16.494 -44.817 1.00 25.00 H new ATOM 0 HG SER A 421 0.940 -16.572 -46.927 1.00 25.00 H new ATOM 155 N ASP A 422 -3.462 -15.534 -44.816 1.00 25.00 N ATOM 156 CA ASP A 422 -4.307 -14.788 -43.890 1.00 25.00 C ATOM 157 C ASP A 422 -5.484 -15.660 -43.470 1.00 25.00 C ATOM 158 O ASP A 422 -5.954 -15.584 -42.347 1.00 25.00 O ATOM 159 CB ASP A 422 -4.824 -13.504 -44.548 1.00 25.00 C ATOM 160 CG ASP A 422 -3.708 -12.528 -44.879 1.00 25.00 C ATOM 161 OD1 ASP A 422 -2.747 -12.411 -44.087 1.00 25.00 O ATOM 162 OD2 ASP A 422 -3.790 -11.880 -45.947 1.00 25.00 O ATOM 0 H ASP A 422 -3.487 -15.196 -45.778 1.00 25.00 H new ATOM 0 HA ASP A 422 -3.718 -14.515 -43.014 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -5.362 -13.759 -45.461 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -5.539 -13.021 -43.882 1.00 25.00 H new ATOM 167 N MET A 423 -5.949 -16.505 -44.377 1.00 25.00 N ATOM 168 CA MET A 423 -7.069 -17.406 -44.108 1.00 25.00 C ATOM 169 C MET A 423 -6.719 -18.376 -42.989 1.00 25.00 C ATOM 170 O MET A 423 -7.556 -18.703 -42.162 1.00 25.00 O ATOM 171 CB MET A 423 -7.418 -18.184 -45.379 1.00 25.00 C ATOM 172 CG MET A 423 -8.794 -18.821 -45.380 1.00 25.00 C ATOM 173 SD MET A 423 -9.113 -19.708 -46.944 1.00 25.00 S ATOM 174 CE MET A 423 -9.073 -18.349 -48.177 1.00 25.00 C ATOM 0 H MET A 423 -5.565 -16.589 -45.318 1.00 25.00 H new ATOM 0 HA MET A 423 -7.929 -16.813 -43.796 1.00 25.00 H new ATOM 0 HB2 MET A 423 -7.345 -17.509 -46.232 1.00 25.00 H new ATOM 0 HB3 MET A 423 -6.672 -18.965 -45.526 1.00 25.00 H new ATOM 0 HG2 MET A 423 -8.877 -19.514 -44.543 1.00 25.00 H new ATOM 0 HG3 MET A 423 -9.553 -18.052 -45.234 1.00 25.00 H new ATOM 0 HE1 MET A 423 -9.556 -18.678 -49.097 1.00 25.00 H new ATOM 0 HE2 MET A 423 -9.601 -17.482 -47.780 1.00 25.00 H new ATOM 0 HE3 MET A 423 -8.038 -18.079 -48.388 1.00 25.00 H new ATOM 184 N ALA A 424 -5.472 -18.822 -42.958 1.00 25.00 N ATOM 185 CA ALA A 424 -5.019 -19.731 -41.909 1.00 25.00 C ATOM 186 C ALA A 424 -5.093 -19.026 -40.550 1.00 25.00 C ATOM 187 O ALA A 424 -5.384 -19.646 -39.527 1.00 25.00 O ATOM 188 CB ALA A 424 -3.587 -20.196 -42.201 1.00 25.00 C ATOM 0 H ALA A 424 -4.757 -18.573 -43.642 1.00 25.00 H new ATOM 0 HA ALA A 424 -5.666 -20.608 -41.884 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -3.257 -20.874 -41.414 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -3.561 -20.714 -43.160 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -2.924 -19.332 -42.237 1.00 25.00 H new ATOM 194 N ALA A 425 -4.840 -17.724 -40.543 1.00 25.00 N ATOM 195 CA ALA A 425 -4.921 -16.947 -39.315 1.00 25.00 C ATOM 196 C ALA A 425 -6.387 -16.812 -38.882 1.00 25.00 C ATOM 197 O ALA A 425 -6.677 -16.835 -37.697 1.00 25.00 O ATOM 198 CB ALA A 425 -4.277 -15.565 -39.506 1.00 25.00 C ATOM 0 H ALA A 425 -4.578 -17.187 -41.370 1.00 25.00 H new ATOM 0 HA ALA A 425 -4.371 -17.466 -38.530 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -4.348 -14.999 -38.577 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -3.229 -15.687 -39.778 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -4.797 -15.027 -40.299 1.00 25.00 H new ATOM 204 N VAL A 426 -7.301 -16.687 -39.838 1.00 25.00 N ATOM 205 CA VAL A 426 -8.733 -16.597 -39.528 1.00 25.00 C ATOM 206 C VAL A 426 -9.209 -17.913 -38.922 1.00 25.00 C ATOM 207 O VAL A 426 -9.931 -17.918 -37.929 1.00 25.00 O ATOM 208 CB VAL A 426 -9.584 -16.289 -40.804 1.00 25.00 C ATOM 209 CG1 VAL A 426 -11.080 -16.256 -40.475 1.00 25.00 C ATOM 210 CG2 VAL A 426 -9.172 -14.950 -41.411 1.00 25.00 C ATOM 0 H VAL A 426 -7.082 -16.645 -40.833 1.00 25.00 H new ATOM 0 HA VAL A 426 -8.867 -15.779 -38.820 1.00 25.00 H new ATOM 0 HB VAL A 426 -9.399 -17.087 -41.523 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -11.647 -16.040 -41.380 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -11.386 -17.223 -40.077 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -11.272 -15.481 -39.733 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -9.774 -14.752 -42.298 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -9.329 -14.156 -40.681 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -8.118 -14.985 -41.688 1.00 25.00 H new ATOM 220 N GLU A 427 -8.793 -19.024 -39.512 1.00 25.00 N ATOM 221 CA GLU A 427 -9.170 -20.349 -39.014 1.00 25.00 C ATOM 222 C GLU A 427 -8.658 -20.530 -37.582 1.00 25.00 C ATOM 223 O GLU A 427 -9.373 -21.014 -36.708 1.00 25.00 O ATOM 224 CB GLU A 427 -8.595 -21.438 -39.931 1.00 25.00 C ATOM 225 CG GLU A 427 -9.299 -21.529 -41.296 1.00 25.00 C ATOM 226 CD GLU A 427 -8.680 -22.579 -42.228 1.00 25.00 C ATOM 227 OE1 GLU A 427 -7.748 -23.301 -41.802 1.00 25.00 O ATOM 228 OE2 GLU A 427 -9.136 -22.684 -43.395 1.00 25.00 O ATOM 0 H GLU A 427 -8.194 -19.040 -40.337 1.00 25.00 H new ATOM 0 HA GLU A 427 -10.257 -20.436 -39.012 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -7.534 -21.244 -40.091 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -8.670 -22.402 -39.428 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -10.351 -21.767 -41.139 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -9.262 -20.554 -41.782 1.00 25.00 H new ATOM 235 N ALA A 428 -7.423 -20.125 -37.327 1.00 25.00 N ATOM 236 CA ALA A 428 -6.864 -20.225 -35.983 1.00 25.00 C ATOM 237 C ALA A 428 -7.618 -19.300 -35.015 1.00 25.00 C ATOM 238 O ALA A 428 -7.863 -19.655 -33.855 1.00 25.00 O ATOM 239 CB ALA A 428 -5.373 -19.867 -36.013 1.00 25.00 C ATOM 0 H ALA A 428 -6.793 -19.728 -38.023 1.00 25.00 H new ATOM 0 HA ALA A 428 -6.976 -21.250 -35.631 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -4.960 -19.943 -35.007 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -4.847 -20.555 -36.674 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -5.251 -18.848 -36.379 1.00 25.00 H new ATOM 245 N ALA A 429 -7.972 -18.115 -35.493 1.00 25.00 N ATOM 246 CA ALA A 429 -8.657 -17.130 -34.673 1.00 25.00 C ATOM 247 C ALA A 429 -10.043 -17.606 -34.257 1.00 25.00 C ATOM 248 O ALA A 429 -10.401 -17.488 -33.098 1.00 25.00 O ATOM 249 CB ALA A 429 -8.763 -15.798 -35.424 1.00 25.00 C ATOM 0 H ALA A 429 -7.794 -17.813 -36.451 1.00 25.00 H new ATOM 0 HA ALA A 429 -8.068 -16.989 -33.767 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -9.278 -15.068 -34.799 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -7.763 -15.433 -35.660 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -9.323 -15.945 -36.348 1.00 25.00 H new ATOM 255 N GLU A 430 -10.833 -18.135 -35.182 1.00 25.00 N ATOM 256 CA GLU A 430 -12.188 -18.568 -34.829 1.00 25.00 C ATOM 257 C GLU A 430 -12.138 -19.759 -33.871 1.00 25.00 C ATOM 258 O GLU A 430 -13.011 -19.913 -33.008 1.00 25.00 O ATOM 259 CB GLU A 430 -13.043 -18.873 -36.071 1.00 25.00 C ATOM 260 CG GLU A 430 -12.592 -20.062 -36.913 1.00 25.00 C ATOM 261 CD GLU A 430 -13.503 -20.311 -38.114 1.00 25.00 C ATOM 262 OE1 GLU A 430 -14.541 -19.623 -38.243 1.00 25.00 O ATOM 263 OE2 GLU A 430 -13.183 -21.206 -38.927 1.00 25.00 O ATOM 0 H GLU A 430 -10.573 -18.274 -36.159 1.00 25.00 H new ATOM 0 HA GLU A 430 -12.676 -17.739 -34.316 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -14.069 -19.049 -35.748 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -13.057 -17.987 -36.706 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -11.574 -19.889 -37.263 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -12.567 -20.956 -36.289 1.00 25.00 H new ATOM 270 N LEU A 431 -11.108 -20.589 -33.990 1.00 25.00 N ATOM 271 CA LEU A 431 -10.959 -21.725 -33.089 1.00 25.00 C ATOM 272 C LEU A 431 -10.717 -21.235 -31.665 1.00 25.00 C ATOM 273 O LEU A 431 -11.338 -21.732 -30.724 1.00 25.00 O ATOM 274 CB LEU A 431 -9.802 -22.628 -33.535 1.00 25.00 C ATOM 275 CG LEU A 431 -10.095 -23.538 -34.741 1.00 25.00 C ATOM 276 CD1 LEU A 431 -8.790 -24.142 -35.256 1.00 25.00 C ATOM 277 CD2 LEU A 431 -11.074 -24.661 -34.372 1.00 25.00 C ATOM 0 H LEU A 431 -10.373 -20.499 -34.692 1.00 25.00 H new ATOM 0 HA LEU A 431 -11.880 -22.307 -33.117 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -8.946 -21.998 -33.777 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -9.508 -23.255 -32.693 1.00 25.00 H new ATOM 0 HG LEU A 431 -10.556 -22.931 -35.520 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -8.999 -24.786 -36.110 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -8.115 -23.343 -35.561 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -8.323 -24.729 -34.465 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -11.259 -25.285 -35.247 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -10.646 -25.270 -33.576 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -12.014 -24.227 -34.031 1.00 25.00 H new ATOM 289 N GLU A 432 -9.835 -20.262 -31.479 1.00 25.00 N ATOM 290 CA GLU A 432 -9.593 -19.749 -30.131 1.00 25.00 C ATOM 291 C GLU A 432 -10.761 -18.884 -29.656 1.00 25.00 C ATOM 292 O GLU A 432 -11.053 -18.837 -28.455 1.00 25.00 O ATOM 293 CB GLU A 432 -8.242 -19.038 -29.988 1.00 25.00 C ATOM 294 CG GLU A 432 -8.122 -17.664 -30.623 1.00 25.00 C ATOM 295 CD GLU A 432 -6.804 -16.993 -30.256 1.00 25.00 C ATOM 296 OE1 GLU A 432 -6.699 -15.758 -30.405 1.00 25.00 O ATOM 297 OE2 GLU A 432 -5.873 -17.705 -29.805 1.00 25.00 O ATOM 0 H GLU A 432 -9.288 -19.821 -32.218 1.00 25.00 H new ATOM 0 HA GLU A 432 -9.531 -20.614 -29.471 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -8.019 -18.942 -28.925 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -7.473 -19.680 -30.418 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -8.196 -17.755 -31.707 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -8.953 -17.038 -30.298 1.00 25.00 H new ATOM 304 N MET A 433 -11.442 -18.220 -30.580 1.00 25.00 N ATOM 305 CA MET A 433 -12.625 -17.434 -30.238 1.00 25.00 C ATOM 306 C MET A 433 -13.652 -18.355 -29.610 1.00 25.00 C ATOM 307 O MET A 433 -14.240 -18.021 -28.600 1.00 25.00 O ATOM 308 CB MET A 433 -13.244 -16.773 -31.475 1.00 25.00 C ATOM 309 CG MET A 433 -13.630 -15.320 -31.268 1.00 25.00 C ATOM 310 SD MET A 433 -12.183 -14.243 -31.146 1.00 25.00 S ATOM 311 CE MET A 433 -11.657 -14.131 -32.885 1.00 25.00 C ATOM 0 H MET A 433 -11.198 -18.208 -31.570 1.00 25.00 H new ATOM 0 HA MET A 433 -12.326 -16.646 -29.547 1.00 25.00 H new ATOM 0 HB2 MET A 433 -12.536 -16.836 -32.301 1.00 25.00 H new ATOM 0 HB3 MET A 433 -14.130 -17.335 -31.770 1.00 25.00 H new ATOM 0 HG2 MET A 433 -14.258 -14.991 -32.096 1.00 25.00 H new ATOM 0 HG3 MET A 433 -14.226 -15.230 -30.360 1.00 25.00 H new ATOM 0 HE1 MET A 433 -11.056 -13.233 -33.026 1.00 25.00 H new ATOM 0 HE2 MET A 433 -11.064 -15.009 -33.143 1.00 25.00 H new ATOM 0 HE3 MET A 433 -12.535 -14.084 -33.529 1.00 25.00 H new ATOM 321 N THR A 434 -13.850 -19.527 -30.201 1.00 25.00 N ATOM 322 CA THR A 434 -14.805 -20.510 -29.680 1.00 25.00 C ATOM 323 C THR A 434 -14.434 -20.938 -28.260 1.00 25.00 C ATOM 324 O THR A 434 -15.292 -21.083 -27.392 1.00 25.00 O ATOM 325 CB THR A 434 -14.851 -21.768 -30.583 1.00 25.00 C ATOM 326 OG1 THR A 434 -15.152 -21.377 -31.925 1.00 25.00 O ATOM 327 CG2 THR A 434 -15.933 -22.742 -30.128 1.00 25.00 C ATOM 0 H THR A 434 -13.362 -19.825 -31.045 1.00 25.00 H new ATOM 0 HA THR A 434 -15.785 -20.032 -29.669 1.00 25.00 H new ATOM 0 HB THR A 434 -13.878 -22.256 -30.520 1.00 25.00 H new ATOM 0 HG1 THR A 434 -14.377 -20.922 -32.315 1.00 25.00 H new ATOM 0 HG21 THR A 434 -15.937 -23.613 -30.783 1.00 25.00 H new ATOM 0 HG22 THR A 434 -15.731 -23.059 -29.105 1.00 25.00 H new ATOM 0 HG23 THR A 434 -16.905 -22.251 -30.170 1.00 25.00 H new ATOM 335 N ARG A 435 -13.146 -21.128 -28.016 1.00 25.00 N ATOM 336 CA ARG A 435 -12.663 -21.549 -26.691 1.00 25.00 C ATOM 337 C ARG A 435 -13.000 -20.500 -25.665 1.00 25.00 C ATOM 338 O ARG A 435 -13.441 -20.801 -24.566 1.00 25.00 O ATOM 339 CB ARG A 435 -11.149 -21.744 -26.711 1.00 25.00 C ATOM 340 CG ARG A 435 -10.730 -22.877 -27.587 1.00 25.00 C ATOM 341 CD ARG A 435 -9.215 -22.947 -27.756 1.00 25.00 C ATOM 342 NE ARG A 435 -8.519 -23.294 -26.505 1.00 25.00 N ATOM 343 CZ ARG A 435 -7.202 -23.241 -26.328 1.00 25.00 C ATOM 344 NH1 ARG A 435 -6.382 -22.848 -27.273 1.00 25.00 N ATOM 345 NH2 ARG A 435 -6.702 -23.586 -25.172 1.00 25.00 N ATOM 0 H ARG A 435 -12.410 -21.000 -28.711 1.00 25.00 H new ATOM 0 HA ARG A 435 -13.148 -22.491 -26.435 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -10.672 -20.827 -27.056 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -10.796 -21.924 -25.696 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -11.090 -23.814 -27.163 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -11.198 -22.770 -28.565 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -8.972 -23.687 -28.519 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -8.849 -21.986 -28.116 1.00 25.00 H new ATOM 0 HE ARG A 435 -9.090 -23.597 -25.716 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -6.749 -22.569 -28.183 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -5.377 -22.821 -27.098 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -7.320 -23.891 -24.420 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -5.694 -23.551 -25.021 1.00 25.00 H new ATOM 359 N GLN A 436 -12.778 -19.260 -26.043 1.00 25.00 N ATOM 360 CA GLN A 436 -13.095 -18.128 -25.173 1.00 25.00 C ATOM 361 C GLN A 436 -14.609 -18.006 -24.962 1.00 25.00 C ATOM 362 O GLN A 436 -15.076 -17.794 -23.849 1.00 25.00 O ATOM 363 CB GLN A 436 -12.538 -16.848 -25.748 1.00 25.00 C ATOM 364 CG GLN A 436 -11.083 -16.703 -25.394 1.00 25.00 C ATOM 365 CD GLN A 436 -10.402 -15.726 -26.267 1.00 25.00 C ATOM 366 OE1 GLN A 436 -10.088 -14.619 -25.867 1.00 25.00 O ATOM 367 NE2 GLN A 436 -10.175 -16.118 -27.475 1.00 25.00 N ATOM 0 H GLN A 436 -12.379 -19.001 -26.945 1.00 25.00 H new ATOM 0 HA GLN A 436 -12.630 -18.305 -24.203 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -12.657 -16.847 -26.831 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -13.099 -15.995 -25.365 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -10.991 -16.388 -24.355 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -10.590 -17.671 -25.478 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -10.455 -17.054 -27.768 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -9.716 -15.492 -28.137 1.00 25.00 H new ATOM 376 N VAL A 437 -15.355 -18.157 -26.046 1.00 25.00 N ATOM 377 CA VAL A 437 -16.818 -18.055 -26.063 1.00 25.00 C ATOM 378 C VAL A 437 -17.492 -19.047 -25.115 1.00 25.00 C ATOM 379 O VAL A 437 -18.489 -18.715 -24.471 1.00 25.00 O ATOM 380 CB VAL A 437 -17.315 -18.251 -27.542 1.00 25.00 C ATOM 381 CG1 VAL A 437 -18.618 -19.042 -27.643 1.00 25.00 C ATOM 382 CG2 VAL A 437 -17.447 -16.891 -28.233 1.00 25.00 C ATOM 0 H VAL A 437 -14.957 -18.359 -26.963 1.00 25.00 H new ATOM 0 HA VAL A 437 -17.100 -17.066 -25.701 1.00 25.00 H new ATOM 0 HB VAL A 437 -16.561 -18.850 -28.054 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -18.904 -19.140 -28.690 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -18.477 -20.033 -27.211 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -19.405 -18.518 -27.100 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -17.792 -17.035 -29.257 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -18.166 -16.276 -27.691 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -16.478 -16.392 -28.243 1.00 25.00 H new ATOM 392 N LEU A 438 -16.944 -20.249 -25.007 1.00 25.00 N ATOM 393 CA LEU A 438 -17.513 -21.282 -24.135 1.00 25.00 C ATOM 394 C LEU A 438 -17.465 -20.893 -22.657 1.00 25.00 C ATOM 395 O LEU A 438 -18.178 -21.463 -21.835 1.00 25.00 O ATOM 396 CB LEU A 438 -16.764 -22.602 -24.350 1.00 25.00 C ATOM 397 CG LEU A 438 -17.099 -23.343 -25.656 1.00 25.00 C ATOM 398 CD1 LEU A 438 -16.081 -24.456 -25.888 1.00 25.00 C ATOM 399 CD2 LEU A 438 -18.514 -23.930 -25.623 1.00 25.00 C ATOM 0 H LEU A 438 -16.105 -20.539 -25.510 1.00 25.00 H new ATOM 0 HA LEU A 438 -18.563 -21.395 -24.403 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -15.693 -22.400 -24.331 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -16.979 -23.264 -23.511 1.00 25.00 H new ATOM 0 HG LEU A 438 -17.055 -22.624 -26.474 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -16.320 -24.980 -26.813 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -15.082 -24.026 -25.962 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -16.113 -25.158 -25.055 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -18.716 -24.446 -26.562 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -18.596 -24.635 -24.796 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -19.238 -23.127 -25.488 1.00 25.00 H new ATOM 720 N ALA A 462 -17.800 -33.213 -45.747 1.00 25.00 N ATOM 721 CA ALA A 462 -16.780 -33.221 -44.709 1.00 25.00 C ATOM 722 C ALA A 462 -17.373 -33.719 -43.390 1.00 25.00 C ATOM 723 O ALA A 462 -16.786 -34.570 -42.725 1.00 25.00 O ATOM 724 CB ALA A 462 -16.192 -31.812 -44.540 1.00 25.00 C ATOM 0 HA ALA A 462 -15.979 -33.899 -45.003 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.429 -31.827 -43.761 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -15.744 -31.489 -45.480 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -16.984 -31.118 -44.259 1.00 25.00 H new ATOM 730 N LEU A 463 -18.537 -33.202 -43.009 1.00 25.00 N ATOM 731 CA LEU A 463 -19.163 -33.627 -41.761 1.00 25.00 C ATOM 732 C LEU A 463 -19.592 -35.090 -41.847 1.00 25.00 C ATOM 733 O LEU A 463 -19.458 -35.815 -40.883 1.00 25.00 O ATOM 734 CB LEU A 463 -20.321 -32.688 -41.371 1.00 25.00 C ATOM 735 CG LEU A 463 -21.787 -33.019 -41.720 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.440 -33.979 -40.717 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.571 -31.725 -41.739 1.00 25.00 C ATOM 0 H LEU A 463 -19.058 -32.501 -43.535 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.428 -33.557 -40.959 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.275 -32.562 -40.289 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.103 -31.717 -41.814 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.794 -33.516 -42.690 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.470 -34.173 -41.017 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.885 -34.917 -40.697 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.430 -33.530 -39.724 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.612 -31.934 -41.984 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.517 -31.252 -40.758 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -22.149 -31.055 -42.488 1.00 25.00 H new ATOM 749 N GLN A 464 -20.079 -35.536 -42.996 1.00 25.00 N ATOM 750 CA GLN A 464 -20.467 -36.939 -43.164 1.00 25.00 C ATOM 751 C GLN A 464 -19.269 -37.845 -42.918 1.00 25.00 C ATOM 752 O GLN A 464 -19.395 -38.922 -42.336 1.00 25.00 O ATOM 753 CB GLN A 464 -21.027 -37.168 -44.562 1.00 25.00 C ATOM 754 CG GLN A 464 -22.415 -36.584 -44.745 1.00 25.00 C ATOM 755 CD GLN A 464 -22.893 -36.715 -46.161 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.701 -35.834 -46.995 1.00 25.00 O ATOM 757 NE2 GLN A 464 -23.506 -37.823 -46.447 1.00 25.00 N ATOM 0 H GLN A 464 -20.216 -34.956 -43.823 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.243 -37.179 -42.437 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.353 -36.725 -45.295 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.059 -38.239 -44.764 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.113 -37.090 -44.078 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.407 -35.532 -44.460 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -23.645 -38.530 -45.725 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -23.848 -37.987 -47.394 1.00 25.00 H new ATOM 766 N GLY A 465 -18.103 -37.388 -43.341 1.00 25.00 N ATOM 767 CA GLY A 465 -16.881 -38.126 -43.107 1.00 25.00 C ATOM 768 C GLY A 465 -16.590 -38.124 -41.625 1.00 25.00 C ATOM 769 O GLY A 465 -16.339 -39.167 -41.049 1.00 25.00 O ATOM 0 H GLY A 465 -17.980 -36.511 -43.847 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -16.982 -39.149 -43.471 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.055 -37.673 -43.655 1.00 25.00 H new ATOM 773 N ALA A 466 -16.649 -36.952 -41.009 1.00 25.00 N ATOM 774 CA ALA A 466 -16.391 -36.800 -39.576 1.00 25.00 C ATOM 775 C ALA A 466 -17.260 -37.733 -38.719 1.00 25.00 C ATOM 776 O ALA A 466 -16.799 -38.272 -37.721 1.00 25.00 O ATOM 777 CB ALA A 466 -16.625 -35.344 -39.168 1.00 25.00 C ATOM 0 H ALA A 466 -16.876 -36.078 -41.484 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.353 -37.079 -39.397 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.433 -35.230 -38.101 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -15.952 -34.696 -39.729 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.657 -35.067 -39.383 1.00 25.00 H new ATOM 783 N GLN A 467 -18.507 -37.931 -39.111 1.00 25.00 N ATOM 784 CA GLN A 467 -19.401 -38.815 -38.365 1.00 25.00 C ATOM 785 C GLN A 467 -18.995 -40.278 -38.541 1.00 25.00 C ATOM 786 O GLN A 467 -19.009 -41.057 -37.594 1.00 25.00 O ATOM 787 CB GLN A 467 -20.831 -38.659 -38.871 1.00 25.00 C ATOM 788 CG GLN A 467 -21.440 -37.259 -38.708 1.00 25.00 C ATOM 789 CD GLN A 467 -21.609 -36.810 -37.275 1.00 25.00 C ATOM 790 OE1 GLN A 467 -21.750 -37.604 -36.363 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.606 -35.514 -37.081 1.00 25.00 N ATOM 0 H GLN A 467 -18.926 -37.498 -39.934 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.334 -38.540 -37.312 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.855 -38.926 -39.927 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.464 -39.375 -38.346 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.808 -36.539 -39.228 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.414 -37.241 -39.198 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.485 -34.880 -37.871 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -21.725 -35.139 -36.140 1.00 25.00 H new ATOM 800 N ALA A 468 -18.640 -40.655 -39.763 1.00 25.00 N ATOM 801 CA ALA A 468 -18.264 -42.036 -40.048 1.00 25.00 C ATOM 802 C ALA A 468 -16.956 -42.394 -39.340 1.00 25.00 C ATOM 803 O ALA A 468 -16.827 -43.463 -38.741 1.00 25.00 O ATOM 804 CB ALA A 468 -18.127 -42.235 -41.565 1.00 25.00 C ATOM 0 H ALA A 468 -18.604 -40.030 -40.568 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.044 -42.698 -39.673 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.846 -43.268 -41.773 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.079 -42.014 -42.048 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.359 -41.565 -41.952 1.00 25.00 H new ATOM 810 N VAL A 469 -15.986 -41.495 -39.399 1.00 25.00 N ATOM 811 CA VAL A 469 -14.691 -41.739 -38.769 1.00 25.00 C ATOM 812 C VAL A 469 -14.824 -41.728 -37.260 1.00 25.00 C ATOM 813 O VAL A 469 -14.040 -42.358 -36.585 1.00 25.00 O ATOM 814 CB VAL A 469 -13.584 -40.734 -39.215 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.430 -40.768 -40.732 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.889 -39.326 -38.751 1.00 25.00 C ATOM 0 H VAL A 469 -16.066 -40.595 -39.872 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.372 -42.725 -39.105 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.647 -41.039 -38.750 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.655 -40.064 -41.035 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.150 -41.773 -41.047 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.375 -40.492 -41.200 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.096 -38.655 -39.080 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.839 -39.001 -39.175 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.952 -39.307 -37.663 1.00 25.00 H new ATOM 826 N ALA A 470 -15.809 -41.020 -36.724 1.00 25.00 N ATOM 827 CA ALA A 470 -16.004 -40.961 -35.272 1.00 25.00 C ATOM 828 C ALA A 470 -16.174 -42.366 -34.680 1.00 25.00 C ATOM 829 O ALA A 470 -15.726 -42.627 -33.561 1.00 25.00 O ATOM 830 CB ALA A 470 -17.210 -40.084 -34.921 1.00 25.00 C ATOM 0 H ALA A 470 -16.485 -40.480 -37.264 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.112 -40.514 -34.834 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.336 -40.055 -33.839 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.046 -39.073 -35.295 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.108 -40.499 -35.379 1.00 25.00 H new ATOM 836 N ALA A 471 -16.793 -43.272 -35.428 1.00 25.00 N ATOM 837 CA ALA A 471 -16.951 -44.650 -34.971 1.00 25.00 C ATOM 838 C ALA A 471 -15.573 -45.320 -34.851 1.00 25.00 C ATOM 839 O ALA A 471 -15.322 -46.081 -33.924 1.00 25.00 O ATOM 840 CB ALA A 471 -17.849 -45.427 -35.941 1.00 25.00 C ATOM 0 H ALA A 471 -17.192 -43.081 -36.347 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.425 -44.651 -33.990 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.960 -46.453 -35.591 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.829 -44.952 -35.990 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.397 -45.429 -36.933 1.00 25.00 H new ATOM 846 N ALA A 472 -14.683 -45.019 -35.784 1.00 25.00 N ATOM 847 CA ALA A 472 -13.322 -45.546 -35.748 1.00 25.00 C ATOM 848 C ALA A 472 -12.505 -44.865 -34.641 1.00 25.00 C ATOM 849 O ALA A 472 -11.625 -45.474 -34.056 1.00 25.00 O ATOM 850 CB ALA A 472 -12.645 -45.354 -37.114 1.00 25.00 C ATOM 0 H ALA A 472 -14.877 -44.411 -36.579 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.368 -46.612 -35.527 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.630 -45.750 -37.076 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.213 -45.883 -37.879 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.611 -44.292 -37.357 1.00 25.00 H new ATOM 856 N GLN A 473 -12.795 -43.604 -34.355 1.00 25.00 N ATOM 857 CA GLN A 473 -12.062 -42.873 -33.326 1.00 25.00 C ATOM 858 C GLN A 473 -12.397 -43.377 -31.933 1.00 25.00 C ATOM 859 O GLN A 473 -11.511 -43.607 -31.118 1.00 25.00 O ATOM 860 CB GLN A 473 -12.371 -41.372 -33.377 1.00 25.00 C ATOM 861 CG GLN A 473 -11.973 -40.667 -34.667 1.00 25.00 C ATOM 862 CD GLN A 473 -10.480 -40.467 -34.824 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.706 -40.673 -33.906 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.077 -40.064 -36.000 1.00 25.00 N ATOM 0 H GLN A 473 -13.528 -43.066 -34.817 1.00 25.00 H new ATOM 0 HA GLN A 473 -11.005 -43.040 -33.531 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.441 -41.233 -33.222 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.863 -40.885 -32.545 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.343 -41.245 -35.514 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.465 -39.695 -34.705 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.756 -39.902 -36.744 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.084 -39.911 -36.174 1.00 25.00 H new ATOM 873 N ARG A 474 -13.679 -43.563 -31.652 1.00 25.00 N ATOM 874 CA ARG A 474 -14.080 -44.088 -30.338 1.00 25.00 C ATOM 875 C ARG A 474 -13.515 -45.495 -30.177 1.00 25.00 C ATOM 876 O ARG A 474 -13.246 -45.945 -29.071 1.00 25.00 O ATOM 877 CB ARG A 474 -15.607 -44.075 -30.154 1.00 25.00 C ATOM 878 CG ARG A 474 -16.383 -44.968 -31.113 1.00 25.00 C ATOM 879 CD ARG A 474 -17.883 -44.878 -30.892 1.00 25.00 C ATOM 880 NE ARG A 474 -18.283 -45.460 -29.597 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.531 -45.543 -29.147 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.557 -45.104 -29.836 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.751 -46.093 -27.985 1.00 25.00 N ATOM 0 H ARG A 474 -14.448 -43.367 -32.292 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.674 -43.440 -29.561 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.837 -44.380 -29.133 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.962 -43.051 -30.269 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.151 -44.684 -32.140 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.060 -46.001 -30.987 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.194 -43.834 -30.933 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.401 -45.397 -31.699 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.543 -45.828 -28.999 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.412 -44.680 -30.753 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.500 -45.186 -29.455 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -18.971 -46.452 -27.435 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.703 -46.164 -27.626 1.00 25.00 H new ATOM 897 N LEU A 475 -13.324 -46.171 -31.300 1.00 25.00 N ATOM 898 CA LEU A 475 -12.744 -47.502 -31.318 1.00 25.00 C ATOM 899 C LEU A 475 -11.238 -47.451 -31.028 1.00 25.00 C ATOM 900 O LEU A 475 -10.767 -48.165 -30.153 1.00 25.00 O ATOM 901 CB LEU A 475 -13.025 -48.148 -32.686 1.00 25.00 C ATOM 902 CG LEU A 475 -11.973 -49.093 -33.283 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.866 -50.379 -32.456 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.330 -49.439 -34.716 1.00 25.00 C ATOM 0 H LEU A 475 -13.567 -45.811 -32.223 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.199 -48.107 -30.534 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.960 -48.703 -32.604 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.193 -47.344 -33.403 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.010 -48.582 -33.265 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.115 -51.034 -32.897 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.577 -50.132 -31.435 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.830 -50.887 -32.447 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.576 -50.110 -35.127 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.303 -49.929 -34.740 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.368 -48.527 -35.312 1.00 25.00 H new ATOM 916 N VAL A 476 -10.476 -46.634 -31.747 1.00 25.00 N ATOM 917 CA VAL A 476 -9.019 -46.613 -31.561 1.00 25.00 C ATOM 918 C VAL A 476 -8.691 -46.156 -30.147 1.00 25.00 C ATOM 919 O VAL A 476 -7.759 -46.653 -29.514 1.00 25.00 O ATOM 920 CB VAL A 476 -8.281 -45.761 -32.650 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.654 -44.298 -32.592 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.763 -45.925 -32.523 1.00 25.00 C ATOM 0 H VAL A 476 -10.828 -45.987 -32.452 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.645 -47.628 -31.693 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.605 -46.138 -33.620 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.115 -43.754 -33.367 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.727 -44.189 -32.752 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.390 -43.894 -31.615 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.267 -45.326 -33.287 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.442 -45.592 -31.536 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.498 -46.974 -32.655 1.00 25.00 H new ATOM 932 N HIS A 477 -9.483 -45.227 -29.639 1.00 25.00 N ATOM 933 CA HIS A 477 -9.306 -44.732 -28.297 1.00 25.00 C ATOM 934 C HIS A 477 -9.536 -45.850 -27.287 1.00 25.00 C ATOM 935 O HIS A 477 -8.862 -45.904 -26.274 1.00 25.00 O ATOM 936 CB HIS A 477 -10.270 -43.576 -28.049 1.00 25.00 C ATOM 937 CG HIS A 477 -9.933 -42.772 -26.833 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.780 -41.878 -26.228 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.790 -42.727 -26.098 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.145 -41.343 -25.188 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.926 -41.826 -25.061 1.00 25.00 N ATOM 0 H HIS A 477 -10.259 -44.802 -30.146 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.284 -44.372 -28.178 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.271 -42.921 -28.920 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.281 -43.971 -27.946 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.904 -43.312 -26.297 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.576 -40.604 -24.529 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.234 -41.586 -24.351 1.00 25.00 H new ATOM 949 N ALA A 478 -10.465 -46.755 -27.566 1.00 25.00 N ATOM 950 CA ALA A 478 -10.734 -47.849 -26.642 1.00 25.00 C ATOM 951 C ALA A 478 -9.478 -48.706 -26.460 1.00 25.00 C ATOM 952 O ALA A 478 -9.129 -49.070 -25.344 1.00 25.00 O ATOM 953 CB ALA A 478 -11.903 -48.703 -27.146 1.00 25.00 C ATOM 0 H ALA A 478 -11.037 -46.755 -28.411 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.012 -47.430 -25.675 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.090 -49.515 -26.443 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.796 -48.084 -27.230 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.656 -49.118 -28.123 1.00 25.00 H new ATOM 959 N ILE A 479 -8.790 -49.019 -27.550 1.00 25.00 N ATOM 960 CA ILE A 479 -7.584 -49.845 -27.463 1.00 25.00 C ATOM 961 C ILE A 479 -6.467 -49.053 -26.816 1.00 25.00 C ATOM 962 O ILE A 479 -5.665 -49.602 -26.085 1.00 25.00 O ATOM 963 CB ILE A 479 -7.099 -50.330 -28.843 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.231 -51.037 -29.590 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.906 -51.304 -28.716 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.466 -50.415 -30.896 1.00 25.00 C ATOM 0 H ILE A 479 -9.038 -48.721 -28.493 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.843 -50.719 -26.866 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.778 -49.448 -29.398 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.982 -52.090 -29.724 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.144 -50.999 -28.995 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.591 -51.625 -29.709 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.077 -50.801 -28.217 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.207 -52.174 -28.132 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.276 -50.936 -31.407 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.739 -49.369 -30.757 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.559 -50.477 -31.497 1.00 25.00 H new ATOM 978 N ALA A 480 -6.424 -47.753 -27.067 1.00 25.00 N ATOM 979 CA ALA A 480 -5.401 -46.897 -26.474 1.00 25.00 C ATOM 980 C ALA A 480 -5.477 -46.983 -24.941 1.00 25.00 C ATOM 981 O ALA A 480 -4.486 -46.789 -24.238 1.00 25.00 O ATOM 982 CB ALA A 480 -5.580 -45.448 -26.958 1.00 25.00 C ATOM 0 H ALA A 480 -7.083 -47.266 -27.675 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.415 -47.238 -26.788 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.812 -44.817 -26.510 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.490 -45.413 -28.044 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.565 -45.085 -26.664 1.00 25.00 H new ATOM 988 N LEU A 481 -6.660 -47.286 -24.426 1.00 25.00 N ATOM 989 CA LEU A 481 -6.831 -47.461 -22.980 1.00 25.00 C ATOM 990 C LEU A 481 -6.368 -48.838 -22.570 1.00 25.00 C ATOM 991 O LEU A 481 -5.700 -49.004 -21.568 1.00 25.00 O ATOM 992 CB LEU A 481 -8.281 -47.264 -22.569 1.00 25.00 C ATOM 993 CG LEU A 481 -8.756 -45.876 -22.972 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.263 -45.885 -23.115 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.315 -44.801 -21.984 1.00 25.00 C ATOM 0 H LEU A 481 -7.510 -47.416 -24.975 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.228 -46.707 -22.475 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.907 -48.022 -23.041 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.382 -47.393 -21.491 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.295 -45.627 -23.928 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.607 -44.892 -23.404 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.552 -46.606 -23.880 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.717 -46.164 -22.164 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.679 -43.829 -22.317 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.724 -45.023 -20.998 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.227 -44.781 -21.930 1.00 25.00 H new ATOM 1007 N MET A 482 -6.716 -49.835 -23.361 1.00 25.00 N ATOM 1008 CA MET A 482 -6.324 -51.210 -23.063 1.00 25.00 C ATOM 1009 C MET A 482 -4.826 -51.376 -23.070 1.00 25.00 C ATOM 1010 O MET A 482 -4.286 -52.247 -22.402 1.00 25.00 O ATOM 1011 CB MET A 482 -6.918 -52.170 -24.084 1.00 25.00 C ATOM 1012 CG MET A 482 -8.390 -52.078 -24.095 1.00 25.00 C ATOM 1013 SD MET A 482 -9.217 -53.546 -24.737 1.00 25.00 S ATOM 1014 CE MET A 482 -9.022 -53.318 -26.504 1.00 25.00 C ATOM 0 H MET A 482 -7.267 -49.725 -24.212 1.00 25.00 H new ATOM 0 HA MET A 482 -6.704 -51.437 -22.067 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.527 -51.941 -25.075 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.615 -53.190 -23.850 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.739 -51.893 -23.079 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.685 -51.217 -24.695 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.486 -54.151 -27.032 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.500 -52.386 -26.806 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.961 -53.278 -26.751 1.00 25.00 H new ATOM 1024 N THR A 483 -4.143 -50.548 -23.837 1.00 25.00 N ATOM 1025 CA THR A 483 -2.698 -50.711 -23.960 1.00 25.00 C ATOM 1026 C THR A 483 -1.994 -50.167 -22.731 1.00 25.00 C ATOM 1027 O THR A 483 -0.975 -50.711 -22.307 1.00 25.00 O ATOM 1028 CB THR A 483 -2.172 -50.064 -25.239 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.630 -48.716 -25.315 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.692 -50.825 -26.459 1.00 25.00 C ATOM 0 H THR A 483 -4.544 -49.777 -24.371 1.00 25.00 H new ATOM 0 HA THR A 483 -2.481 -51.777 -24.028 1.00 25.00 H new ATOM 0 HB THR A 483 -1.082 -50.090 -25.224 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.291 -48.301 -26.135 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.313 -50.358 -27.368 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.353 -51.860 -26.414 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.782 -50.800 -26.466 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.542 -49.120 -22.131 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.977 -48.598 -20.889 1.00 25.00 C ATOM 1040 C GLN A 484 -2.465 -49.427 -19.697 1.00 25.00 C ATOM 1041 O GLN A 484 -1.711 -49.655 -18.761 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.267 -47.095 -20.715 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.729 -46.699 -20.769 1.00 25.00 C ATOM 1044 CD GLN A 484 -3.924 -45.206 -20.803 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.802 -44.529 -19.798 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.231 -44.684 -21.962 1.00 25.00 N ATOM 0 H GLN A 484 -3.363 -48.621 -22.474 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.892 -48.692 -20.939 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.857 -46.773 -19.758 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.732 -46.548 -21.491 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.189 -47.142 -21.652 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.245 -47.109 -19.901 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.325 -45.283 -22.782 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.377 -43.678 -22.046 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.705 -49.907 -19.735 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.234 -50.733 -18.651 1.00 25.00 C ATOM 1057 C PHE A 485 -3.536 -52.087 -18.627 1.00 25.00 C ATOM 1058 O PHE A 485 -3.463 -52.738 -17.598 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.736 -50.935 -18.824 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.571 -49.991 -17.997 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.923 -48.716 -18.486 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.011 -50.374 -16.716 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.717 -47.836 -17.711 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.805 -49.502 -15.931 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.159 -48.231 -16.431 1.00 25.00 C ATOM 0 H PHE A 485 -4.360 -49.740 -20.499 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.049 -50.220 -17.707 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.993 -50.807 -19.876 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.989 -51.961 -18.556 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.583 -48.407 -19.463 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.740 -51.344 -16.327 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.984 -46.864 -18.099 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.139 -49.810 -14.951 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.765 -47.564 -15.837 1.00 25.00 H new