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 -135:sc= 0 (180deg=-0.113) USER MOD Single : A 433 MET CE :methyl -132:sc= -0.214 (180deg=-2.17!) USER MOD Single : A 434 THR OG1 : rot 77:sc= 0.752 USER MOD Single : A 436 GLN : amide:sc= 0.183 X(o=0.18,f=0) USER MOD Single : A 464 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.29) USER MOD Single : A 467 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 477 HIS : no HD1:sc= -0.0998 X(o=-0.1,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= 0.374 X(o=0.37,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -49.245 2.087 -29.809 1.00 25.00 N ATOM 114 CA GLU A 419 -48.518 0.821 -29.839 1.00 25.00 C ATOM 115 C GLU A 419 -47.422 0.758 -28.783 1.00 25.00 C ATOM 116 O GLU A 419 -47.044 -0.309 -28.349 1.00 25.00 O ATOM 117 CB GLU A 419 -47.875 0.620 -31.207 1.00 25.00 C ATOM 118 CG GLU A 419 -48.891 0.454 -32.346 1.00 25.00 C ATOM 119 CD GLU A 419 -48.591 -0.734 -33.269 1.00 25.00 C ATOM 120 OE1 GLU A 419 -49.407 -0.991 -34.177 1.00 25.00 O ATOM 121 OE2 GLU A 419 -47.545 -1.393 -33.102 1.00 25.00 O ATOM 0 HA GLU A 419 -49.246 0.036 -29.632 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -47.233 1.473 -31.426 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -47.234 -0.261 -31.172 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -49.886 0.329 -31.919 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -48.911 1.368 -32.939 1.00 25.00 H new ATOM 128 N VAL A 420 -46.912 1.903 -28.356 1.00 25.00 N ATOM 129 CA VAL A 420 -45.851 1.915 -27.351 1.00 25.00 C ATOM 130 C VAL A 420 -46.463 1.517 -26.009 1.00 25.00 C ATOM 131 O VAL A 420 -45.829 0.856 -25.194 1.00 25.00 O ATOM 132 CB VAL A 420 -45.161 3.305 -27.248 1.00 25.00 C ATOM 133 CG1 VAL A 420 -43.957 3.239 -26.305 1.00 25.00 C ATOM 134 CG2 VAL A 420 -44.686 3.766 -28.636 1.00 25.00 C ATOM 0 H VAL A 420 -47.207 2.824 -28.681 1.00 25.00 H new ATOM 0 HA VAL A 420 -45.076 1.206 -27.643 1.00 25.00 H new ATOM 0 HB VAL A 420 -45.888 4.016 -26.855 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -43.487 4.221 -26.246 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -44.289 2.935 -25.312 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -43.237 2.514 -26.685 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -44.205 4.740 -28.551 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -43.974 3.043 -29.036 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -45.542 3.842 -29.307 1.00 25.00 H new ATOM 144 N SER A 421 -47.712 1.898 -25.794 1.00 25.00 N ATOM 145 CA SER A 421 -48.413 1.523 -24.573 1.00 25.00 C ATOM 146 C SER A 421 -48.684 0.028 -24.581 1.00 25.00 C ATOM 147 O SER A 421 -48.610 -0.633 -23.548 1.00 25.00 O ATOM 148 CB SER A 421 -49.741 2.259 -24.474 1.00 25.00 C ATOM 149 OG SER A 421 -49.544 3.664 -24.494 1.00 25.00 O ATOM 0 H SER A 421 -48.260 2.463 -26.443 1.00 25.00 H new ATOM 0 HA SER A 421 -47.788 1.789 -23.720 1.00 25.00 H new ATOM 0 HB2 SER A 421 -50.386 1.966 -25.302 1.00 25.00 H new ATOM 0 HB3 SER A 421 -50.253 1.973 -23.555 1.00 25.00 H new ATOM 0 HG SER A 421 -50.411 4.117 -24.431 1.00 25.00 H new ATOM 155 N ASP A 422 -48.985 -0.503 -25.756 1.00 25.00 N ATOM 156 CA ASP A 422 -49.237 -1.933 -25.897 1.00 25.00 C ATOM 157 C ASP A 422 -47.933 -2.682 -25.658 1.00 25.00 C ATOM 158 O ASP A 422 -47.918 -3.748 -25.062 1.00 25.00 O ATOM 159 CB ASP A 422 -49.783 -2.258 -27.293 1.00 25.00 C ATOM 160 CG ASP A 422 -51.144 -1.630 -27.549 1.00 25.00 C ATOM 161 OD1 ASP A 422 -52.041 -1.760 -26.687 1.00 25.00 O ATOM 162 OD2 ASP A 422 -51.315 -0.994 -28.614 1.00 25.00 O ATOM 0 H ASP A 422 -49.061 0.029 -26.623 1.00 25.00 H new ATOM 0 HA ASP A 422 -49.986 -2.240 -25.167 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -49.077 -1.907 -28.046 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -49.859 -3.339 -27.407 1.00 25.00 H new ATOM 167 N MET A 423 -46.830 -2.100 -26.106 1.00 25.00 N ATOM 168 CA MET A 423 -45.505 -2.706 -25.927 1.00 25.00 C ATOM 169 C MET A 423 -45.173 -2.793 -24.448 1.00 25.00 C ATOM 170 O MET A 423 -44.624 -3.780 -23.979 1.00 25.00 O ATOM 171 CB MET A 423 -44.422 -1.862 -26.610 1.00 25.00 C ATOM 172 CG MET A 423 -43.584 -2.625 -27.623 1.00 25.00 C ATOM 173 SD MET A 423 -44.386 -2.737 -29.240 1.00 25.00 S ATOM 174 CE MET A 423 -44.122 -1.058 -29.896 1.00 25.00 C ATOM 0 H MET A 423 -46.820 -1.207 -26.598 1.00 25.00 H new ATOM 0 HA MET A 423 -45.529 -3.700 -26.373 1.00 25.00 H new ATOM 0 HB2 MET A 423 -44.897 -1.018 -27.110 1.00 25.00 H new ATOM 0 HB3 MET A 423 -43.762 -1.450 -25.846 1.00 25.00 H new ATOM 0 HG2 MET A 423 -42.617 -2.134 -27.734 1.00 25.00 H new ATOM 0 HG3 MET A 423 -43.390 -3.629 -27.247 1.00 25.00 H new ATOM 0 HE1 MET A 423 -45.047 -0.691 -30.340 1.00 25.00 H new ATOM 0 HE2 MET A 423 -43.820 -0.394 -29.086 1.00 25.00 H new ATOM 0 HE3 MET A 423 -43.340 -1.083 -30.655 1.00 25.00 H new ATOM 184 N ALA A 424 -45.526 -1.751 -23.714 1.00 25.00 N ATOM 185 CA ALA A 424 -45.253 -1.694 -22.283 1.00 25.00 C ATOM 186 C ALA A 424 -46.043 -2.787 -21.561 1.00 25.00 C ATOM 187 O ALA A 424 -45.590 -3.333 -20.560 1.00 25.00 O ATOM 188 CB ALA A 424 -45.618 -0.308 -21.733 1.00 25.00 C ATOM 0 H ALA A 424 -46.004 -0.930 -24.085 1.00 25.00 H new ATOM 0 HA ALA A 424 -44.190 -1.863 -22.112 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -45.411 -0.275 -20.663 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -45.025 0.453 -22.241 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -46.677 -0.116 -21.903 1.00 25.00 H new ATOM 194 N ALA A 425 -47.219 -3.112 -22.080 1.00 25.00 N ATOM 195 CA ALA A 425 -48.030 -4.173 -21.499 1.00 25.00 C ATOM 196 C ALA A 425 -47.346 -5.530 -21.713 1.00 25.00 C ATOM 197 O ALA A 425 -47.379 -6.385 -20.834 1.00 25.00 O ATOM 198 CB ALA A 425 -49.437 -4.169 -22.116 1.00 25.00 C ATOM 0 H ALA A 425 -47.631 -2.660 -22.896 1.00 25.00 H new ATOM 0 HA ALA A 425 -48.129 -3.998 -20.428 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -50.031 -4.967 -21.672 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -49.916 -3.209 -21.923 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -49.363 -4.327 -23.192 1.00 25.00 H new ATOM 204 N VAL A 426 -46.717 -5.718 -22.867 1.00 25.00 N ATOM 205 CA VAL A 426 -45.997 -6.961 -23.157 1.00 25.00 C ATOM 206 C VAL A 426 -44.792 -7.074 -22.229 1.00 25.00 C ATOM 207 O VAL A 426 -44.553 -8.122 -21.638 1.00 25.00 O ATOM 208 CB VAL A 426 -45.503 -7.016 -24.639 1.00 25.00 C ATOM 209 CG1 VAL A 426 -44.750 -8.320 -24.916 1.00 25.00 C ATOM 210 CG2 VAL A 426 -46.687 -6.895 -25.607 1.00 25.00 C ATOM 0 H VAL A 426 -46.688 -5.029 -23.619 1.00 25.00 H new ATOM 0 HA VAL A 426 -46.687 -7.790 -22.998 1.00 25.00 H new ATOM 0 HB VAL A 426 -44.825 -6.177 -24.794 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -44.417 -8.334 -25.954 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -43.885 -8.388 -24.256 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -45.411 -9.167 -24.736 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -46.323 -6.935 -26.634 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -47.382 -7.717 -25.436 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -47.198 -5.947 -25.440 1.00 25.00 H new ATOM 220 N GLU A 427 -44.040 -5.992 -22.087 1.00 25.00 N ATOM 221 CA GLU A 427 -42.868 -5.987 -21.215 1.00 25.00 C ATOM 222 C GLU A 427 -43.280 -6.303 -19.779 1.00 25.00 C ATOM 223 O GLU A 427 -42.634 -7.096 -19.095 1.00 25.00 O ATOM 224 CB GLU A 427 -42.177 -4.621 -21.271 1.00 25.00 C ATOM 225 CG GLU A 427 -41.479 -4.339 -22.605 1.00 25.00 C ATOM 226 CD GLU A 427 -40.829 -2.957 -22.652 1.00 25.00 C ATOM 227 OE1 GLU A 427 -40.243 -2.613 -23.704 1.00 25.00 O ATOM 228 OE2 GLU A 427 -40.891 -2.217 -21.643 1.00 25.00 O ATOM 0 H GLU A 427 -44.218 -5.107 -22.562 1.00 25.00 H new ATOM 0 HA GLU A 427 -42.171 -6.751 -21.559 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -42.916 -3.842 -21.086 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -41.443 -4.562 -20.467 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -40.718 -5.100 -22.780 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -42.204 -4.422 -23.414 1.00 25.00 H new ATOM 235 N ALA A 428 -44.369 -5.699 -19.323 1.00 25.00 N ATOM 236 CA ALA A 428 -44.864 -5.943 -17.974 1.00 25.00 C ATOM 237 C ALA A 428 -45.287 -7.407 -17.808 1.00 25.00 C ATOM 238 O ALA A 428 -45.052 -8.008 -16.756 1.00 25.00 O ATOM 239 CB ALA A 428 -46.042 -5.009 -17.673 1.00 25.00 C ATOM 0 H ALA A 428 -44.926 -5.038 -19.865 1.00 25.00 H new ATOM 0 HA ALA A 428 -44.061 -5.740 -17.266 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -46.407 -5.197 -16.663 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -45.714 -3.973 -17.753 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -46.844 -5.192 -18.388 1.00 25.00 H new ATOM 245 N ALA A 429 -45.895 -7.971 -18.844 1.00 25.00 N ATOM 246 CA ALA A 429 -46.339 -9.360 -18.814 1.00 25.00 C ATOM 247 C ALA A 429 -45.148 -10.304 -18.684 1.00 25.00 C ATOM 248 O ALA A 429 -45.200 -11.258 -17.922 1.00 25.00 O ATOM 249 CB ALA A 429 -47.148 -9.686 -20.078 1.00 25.00 C ATOM 0 H ALA A 429 -46.093 -7.486 -19.719 1.00 25.00 H new ATOM 0 HA ALA A 429 -46.980 -9.499 -17.943 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -47.474 -10.726 -20.044 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -48.020 -9.034 -20.130 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -46.525 -9.530 -20.959 1.00 25.00 H new ATOM 255 N GLU A 430 -44.076 -10.042 -19.413 1.00 25.00 N ATOM 256 CA GLU A 430 -42.893 -10.902 -19.344 1.00 25.00 C ATOM 257 C GLU A 430 -42.244 -10.804 -17.969 1.00 25.00 C ATOM 258 O GLU A 430 -41.823 -11.809 -17.376 1.00 25.00 O ATOM 259 CB GLU A 430 -41.875 -10.511 -20.422 1.00 25.00 C ATOM 260 CG GLU A 430 -42.406 -10.641 -21.844 1.00 25.00 C ATOM 261 CD GLU A 430 -41.572 -11.588 -22.693 1.00 25.00 C ATOM 262 OE1 GLU A 430 -42.120 -12.622 -23.138 1.00 25.00 O ATOM 263 OE2 GLU A 430 -40.376 -11.301 -22.926 1.00 25.00 O ATOM 0 H GLU A 430 -43.994 -9.252 -20.054 1.00 25.00 H new ATOM 0 HA GLU A 430 -43.213 -11.930 -19.517 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -41.560 -9.481 -20.254 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -40.989 -11.137 -20.316 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -43.436 -10.997 -21.813 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -42.423 -9.657 -22.313 1.00 25.00 H new ATOM 270 N LEU A 431 -42.171 -9.591 -17.444 1.00 25.00 N ATOM 271 CA LEU A 431 -41.585 -9.379 -16.126 1.00 25.00 C ATOM 272 C LEU A 431 -42.388 -10.126 -15.064 1.00 25.00 C ATOM 273 O LEU A 431 -41.816 -10.764 -14.174 1.00 25.00 O ATOM 274 CB LEU A 431 -41.548 -7.881 -15.794 1.00 25.00 C ATOM 275 CG LEU A 431 -40.500 -7.051 -16.557 1.00 25.00 C ATOM 276 CD1 LEU A 431 -40.799 -5.562 -16.382 1.00 25.00 C ATOM 277 CD2 LEU A 431 -39.080 -7.354 -16.064 1.00 25.00 C ATOM 0 H LEU A 431 -42.506 -8.744 -17.904 1.00 25.00 H new ATOM 0 HA LEU A 431 -40.565 -9.764 -16.135 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -42.533 -7.460 -15.994 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -41.364 -7.769 -14.725 1.00 25.00 H new ATOM 0 HG LEU A 431 -40.556 -7.320 -17.612 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -40.056 -4.976 -16.923 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -41.791 -5.342 -16.775 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -40.763 -5.306 -15.323 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -38.364 -6.751 -16.623 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -39.004 -7.115 -15.003 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -38.860 -8.411 -16.215 1.00 25.00 H new ATOM 289 N GLU A 432 -43.709 -10.052 -15.130 1.00 25.00 N ATOM 290 CA GLU A 432 -44.525 -10.745 -14.143 1.00 25.00 C ATOM 291 C GLU A 432 -44.695 -12.241 -14.355 1.00 25.00 C ATOM 292 O GLU A 432 -44.828 -12.971 -13.370 1.00 25.00 O ATOM 293 CB GLU A 432 -45.866 -10.061 -13.894 1.00 25.00 C ATOM 294 CG GLU A 432 -46.971 -10.265 -14.895 1.00 25.00 C ATOM 295 CD GLU A 432 -48.263 -9.625 -14.394 1.00 25.00 C ATOM 296 OE1 GLU A 432 -49.294 -9.714 -15.085 1.00 25.00 O ATOM 297 OE2 GLU A 432 -48.236 -9.034 -13.277 1.00 25.00 O ATOM 0 H GLU A 432 -44.229 -9.533 -15.837 1.00 25.00 H new ATOM 0 HA GLU A 432 -43.928 -10.662 -13.235 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -46.233 -10.393 -12.923 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -45.683 -8.989 -13.816 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -46.688 -9.829 -15.853 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -47.126 -11.331 -15.064 1.00 25.00 H new ATOM 304 N MET A 433 -44.704 -12.724 -15.593 1.00 25.00 N ATOM 305 CA MET A 433 -44.890 -14.159 -15.827 1.00 25.00 C ATOM 306 C MET A 433 -43.758 -14.940 -15.204 1.00 25.00 C ATOM 307 O MET A 433 -43.944 -16.064 -14.740 1.00 25.00 O ATOM 308 CB MET A 433 -45.002 -14.522 -17.317 1.00 25.00 C ATOM 309 CG MET A 433 -43.731 -14.457 -18.147 1.00 25.00 C ATOM 310 SD MET A 433 -44.040 -15.100 -19.812 1.00 25.00 S ATOM 311 CE MET A 433 -44.935 -13.725 -20.630 1.00 25.00 C ATOM 0 H MET A 433 -44.588 -12.161 -16.436 1.00 25.00 H new ATOM 0 HA MET A 433 -45.838 -14.425 -15.359 1.00 25.00 H new ATOM 0 HB2 MET A 433 -45.400 -15.534 -17.389 1.00 25.00 H new ATOM 0 HB3 MET A 433 -45.736 -13.857 -17.772 1.00 25.00 H new ATOM 0 HG2 MET A 433 -43.379 -13.427 -18.206 1.00 25.00 H new ATOM 0 HG3 MET A 433 -42.943 -15.036 -17.666 1.00 25.00 H new ATOM 0 HE1 MET A 433 -45.820 -14.115 -21.133 1.00 25.00 H new ATOM 0 HE2 MET A 433 -45.237 -12.992 -19.882 1.00 25.00 H new ATOM 0 HE3 MET A 433 -44.281 -13.250 -21.361 1.00 25.00 H new ATOM 321 N THR A 434 -42.584 -14.332 -15.174 1.00 25.00 N ATOM 322 CA THR A 434 -41.421 -14.977 -14.609 1.00 25.00 C ATOM 323 C THR A 434 -41.630 -15.207 -13.109 1.00 25.00 C ATOM 324 O THR A 434 -41.150 -16.183 -12.542 1.00 25.00 O ATOM 325 CB THR A 434 -40.158 -14.128 -14.866 1.00 25.00 C ATOM 326 OG1 THR A 434 -40.087 -13.798 -16.256 1.00 25.00 O ATOM 327 CG2 THR A 434 -38.909 -14.900 -14.527 1.00 25.00 C ATOM 0 H THR A 434 -42.416 -13.393 -15.535 1.00 25.00 H new ATOM 0 HA THR A 434 -41.280 -15.944 -15.091 1.00 25.00 H new ATOM 0 HB THR A 434 -40.223 -13.236 -14.243 1.00 25.00 H new ATOM 0 HG1 THR A 434 -40.727 -13.083 -16.456 1.00 25.00 H new ATOM 0 HG21 THR A 434 -38.034 -14.278 -14.717 1.00 25.00 H new ATOM 0 HG22 THR A 434 -38.931 -15.183 -13.475 1.00 25.00 H new ATOM 0 HG23 THR A 434 -38.857 -15.797 -15.143 1.00 25.00 H new ATOM 335 N ARG A 435 -42.377 -14.327 -12.457 1.00 25.00 N ATOM 336 CA ARG A 435 -42.659 -14.512 -11.033 1.00 25.00 C ATOM 337 C ARG A 435 -43.585 -15.705 -10.861 1.00 25.00 C ATOM 338 O ARG A 435 -43.430 -16.485 -9.934 1.00 25.00 O ATOM 339 CB ARG A 435 -43.318 -13.270 -10.420 1.00 25.00 C ATOM 340 CG ARG A 435 -42.515 -11.989 -10.607 1.00 25.00 C ATOM 341 CD ARG A 435 -42.962 -10.897 -9.622 1.00 25.00 C ATOM 342 NE ARG A 435 -44.384 -10.526 -9.780 1.00 25.00 N ATOM 343 CZ ARG A 435 -44.850 -9.550 -10.558 1.00 25.00 C ATOM 344 NH1 ARG A 435 -44.066 -8.796 -11.290 1.00 25.00 N ATOM 345 NH2 ARG A 435 -46.137 -9.337 -10.601 1.00 25.00 N ATOM 0 H ARG A 435 -42.792 -13.495 -12.876 1.00 25.00 H new ATOM 0 HA ARG A 435 -41.713 -14.681 -10.518 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -44.304 -13.137 -10.865 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -43.469 -13.440 -9.354 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -41.455 -12.198 -10.464 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -42.634 -11.630 -11.629 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -42.793 -11.244 -8.602 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -42.343 -10.011 -9.764 1.00 25.00 H new ATOM 0 HE ARG A 435 -45.068 -11.064 -9.247 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -43.057 -8.946 -11.278 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -44.465 -8.059 -11.872 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -46.768 -9.913 -10.045 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -46.512 -8.594 -11.191 1.00 25.00 H new ATOM 359 N GLN A 436 -44.552 -15.840 -11.756 1.00 25.00 N ATOM 360 CA GLN A 436 -45.539 -16.915 -11.640 1.00 25.00 C ATOM 361 C GLN A 436 -44.890 -18.286 -11.776 1.00 25.00 C ATOM 362 O GLN A 436 -45.195 -19.199 -11.019 1.00 25.00 O ATOM 363 CB GLN A 436 -46.645 -16.800 -12.703 1.00 25.00 C ATOM 364 CG GLN A 436 -47.214 -15.402 -12.925 1.00 25.00 C ATOM 365 CD GLN A 436 -47.622 -14.694 -11.656 1.00 25.00 C ATOM 366 OE1 GLN A 436 -48.269 -15.252 -10.786 1.00 25.00 O ATOM 367 NE2 GLN A 436 -47.247 -13.448 -11.552 1.00 25.00 N ATOM 0 H GLN A 436 -44.678 -15.229 -12.563 1.00 25.00 H new ATOM 0 HA GLN A 436 -45.979 -16.810 -10.648 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -46.250 -17.165 -13.651 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -47.463 -17.463 -12.422 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -46.470 -14.797 -13.443 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -48.080 -15.474 -13.583 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -46.706 -13.014 -12.300 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -47.495 -12.908 -10.723 1.00 25.00 H new ATOM 376 N VAL A 437 -44.002 -18.437 -12.750 1.00 25.00 N ATOM 377 CA VAL A 437 -43.368 -19.734 -12.996 1.00 25.00 C ATOM 378 C VAL A 437 -42.432 -20.150 -11.867 1.00 25.00 C ATOM 379 O VAL A 437 -42.331 -21.326 -11.549 1.00 25.00 O ATOM 380 CB VAL A 437 -42.609 -19.769 -14.360 1.00 25.00 C ATOM 381 CG1 VAL A 437 -43.610 -19.674 -15.522 1.00 25.00 C ATOM 382 CG2 VAL A 437 -41.582 -18.663 -14.484 1.00 25.00 C ATOM 0 H VAL A 437 -43.704 -17.690 -13.378 1.00 25.00 H new ATOM 0 HA VAL A 437 -44.184 -20.456 -13.039 1.00 25.00 H new ATOM 0 HB VAL A 437 -42.074 -20.718 -14.401 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -43.071 -19.699 -16.469 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -44.302 -20.515 -15.476 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -44.168 -18.741 -15.446 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -41.085 -18.735 -15.451 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -42.077 -17.696 -14.402 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -40.844 -18.761 -13.688 1.00 25.00 H new ATOM 392 N LEU A 438 -41.767 -19.186 -11.250 1.00 25.00 N ATOM 393 CA LEU A 438 -40.854 -19.467 -10.137 1.00 25.00 C ATOM 394 C LEU A 438 -41.594 -19.839 -8.852 1.00 25.00 C ATOM 395 O LEU A 438 -41.027 -20.478 -7.972 1.00 25.00 O ATOM 396 CB LEU A 438 -39.953 -18.256 -9.872 1.00 25.00 C ATOM 397 CG LEU A 438 -38.876 -17.979 -10.937 1.00 25.00 C ATOM 398 CD1 LEU A 438 -38.217 -16.630 -10.653 1.00 25.00 C ATOM 399 CD2 LEU A 438 -37.807 -19.078 -10.965 1.00 25.00 C ATOM 0 H LEU A 438 -41.838 -18.199 -11.496 1.00 25.00 H new ATOM 0 HA LEU A 438 -40.251 -20.325 -10.433 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -40.583 -17.371 -9.780 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -39.459 -18.397 -8.911 1.00 25.00 H new ATOM 0 HG LEU A 438 -39.363 -17.963 -11.912 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -37.454 -16.432 -11.406 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -38.971 -15.843 -10.684 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -37.755 -16.651 -9.666 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -37.066 -18.845 -11.730 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -37.319 -19.136 -9.992 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -38.275 -20.035 -11.193 1.00 25.00 H new ATOM 720 N ALA A 462 -18.483 -32.399 -44.976 1.00 25.00 N ATOM 721 CA ALA A 462 -17.372 -32.750 -44.101 1.00 25.00 C ATOM 722 C ALA A 462 -17.864 -33.498 -42.856 1.00 25.00 C ATOM 723 O ALA A 462 -17.247 -34.470 -42.426 1.00 25.00 O ATOM 724 CB ALA A 462 -16.609 -31.486 -43.695 1.00 25.00 C ATOM 0 HA ALA A 462 -16.701 -33.413 -44.647 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.780 -31.756 -43.041 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.222 -30.992 -44.587 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.281 -30.809 -43.168 1.00 25.00 H new ATOM 730 N LEU A 463 -18.972 -33.049 -42.276 1.00 25.00 N ATOM 731 CA LEU A 463 -19.504 -33.677 -41.068 1.00 25.00 C ATOM 732 C LEU A 463 -19.936 -35.109 -41.339 1.00 25.00 C ATOM 733 O LEU A 463 -19.798 -35.953 -40.476 1.00 25.00 O ATOM 734 CB LEU A 463 -20.641 -32.842 -40.447 1.00 25.00 C ATOM 735 CG LEU A 463 -22.118 -33.128 -40.796 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.737 -34.245 -39.945 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.916 -31.864 -40.576 1.00 25.00 C ATOM 0 H LEU A 463 -19.517 -32.258 -42.619 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.700 -33.713 -40.333 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.546 -32.928 -39.365 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.448 -31.800 -40.702 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.146 -33.458 -41.835 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.775 -34.395 -40.241 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.179 -35.169 -40.096 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.697 -33.965 -38.892 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.963 -32.048 -40.818 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.833 -31.558 -39.533 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -22.529 -31.073 -41.218 1.00 25.00 H new ATOM 749 N GLN A 464 -20.434 -35.401 -42.532 1.00 25.00 N ATOM 750 CA GLN A 464 -20.807 -36.784 -42.853 1.00 25.00 C ATOM 751 C GLN A 464 -19.596 -37.703 -42.725 1.00 25.00 C ATOM 752 O GLN A 464 -19.704 -38.840 -42.269 1.00 25.00 O ATOM 753 CB GLN A 464 -21.400 -36.894 -44.261 1.00 25.00 C ATOM 754 CG GLN A 464 -22.779 -36.263 -44.396 1.00 25.00 C ATOM 755 CD GLN A 464 -23.795 -36.875 -43.454 1.00 25.00 C ATOM 756 OE1 GLN A 464 -24.201 -36.260 -42.488 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.206 -38.086 -43.731 1.00 25.00 N ATOM 0 H GLN A 464 -20.589 -34.725 -43.280 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.571 -37.094 -42.140 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.722 -36.418 -44.969 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.463 -37.946 -44.538 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -22.706 -35.193 -44.200 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -23.127 -36.376 -45.423 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -23.843 -38.573 -44.551 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.889 -38.543 -43.127 1.00 25.00 H new ATOM 766 N GLY A 465 -18.435 -37.193 -43.103 1.00 25.00 N ATOM 767 CA GLY A 465 -17.207 -37.943 -42.951 1.00 25.00 C ATOM 768 C GLY A 465 -16.862 -38.024 -41.482 1.00 25.00 C ATOM 769 O GLY A 465 -16.533 -39.088 -40.988 1.00 25.00 O ATOM 0 H GLY A 465 -18.321 -36.267 -43.515 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.323 -38.944 -43.367 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.400 -37.460 -43.502 1.00 25.00 H new ATOM 773 N ALA A 466 -16.960 -36.900 -40.781 1.00 25.00 N ATOM 774 CA ALA A 466 -16.655 -36.840 -39.350 1.00 25.00 C ATOM 775 C ALA A 466 -17.458 -37.874 -38.549 1.00 25.00 C ATOM 776 O ALA A 466 -16.940 -38.484 -37.630 1.00 25.00 O ATOM 777 CB ALA A 466 -16.925 -35.431 -38.812 1.00 25.00 C ATOM 0 H ALA A 466 -17.251 -36.008 -41.182 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.598 -37.079 -39.229 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.695 -35.398 -37.747 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.298 -34.713 -39.341 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.974 -35.178 -38.964 1.00 25.00 H new ATOM 783 N GLN A 467 -18.714 -38.074 -38.907 1.00 25.00 N ATOM 784 CA GLN A 467 -19.556 -39.054 -38.224 1.00 25.00 C ATOM 785 C GLN A 467 -19.070 -40.479 -38.479 1.00 25.00 C ATOM 786 O GLN A 467 -19.013 -41.302 -37.568 1.00 25.00 O ATOM 787 CB GLN A 467 -20.985 -38.939 -38.741 1.00 25.00 C ATOM 788 CG GLN A 467 -21.689 -37.624 -38.384 1.00 25.00 C ATOM 789 CD GLN A 467 -21.997 -37.477 -36.908 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.039 -38.441 -36.163 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.214 -36.258 -36.486 1.00 25.00 N ATOM 0 H GLN A 467 -19.178 -37.574 -39.665 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.508 -38.848 -37.155 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.975 -39.048 -39.826 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.569 -39.769 -38.343 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.062 -36.790 -38.700 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.619 -37.556 -38.948 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.170 -35.476 -37.140 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.427 -36.089 -35.503 1.00 25.00 H new ATOM 800 N ALA A 468 -18.728 -40.774 -39.725 1.00 25.00 N ATOM 801 CA ALA A 468 -18.280 -42.113 -40.087 1.00 25.00 C ATOM 802 C ALA A 468 -16.951 -42.432 -39.398 1.00 25.00 C ATOM 803 O ALA A 468 -16.761 -43.521 -38.853 1.00 25.00 O ATOM 804 CB ALA A 468 -18.137 -42.222 -41.613 1.00 25.00 C ATOM 0 H ALA A 468 -18.751 -40.110 -40.499 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.022 -42.838 -39.753 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.802 -43.225 -41.876 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.100 -42.026 -42.084 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.407 -41.492 -41.963 1.00 25.00 H new ATOM 810 N VAL A 469 -16.032 -41.479 -39.413 1.00 25.00 N ATOM 811 CA VAL A 469 -14.727 -41.687 -38.796 1.00 25.00 C ATOM 812 C VAL A 469 -14.843 -41.711 -37.280 1.00 25.00 C ATOM 813 O VAL A 469 -14.043 -42.347 -36.627 1.00 25.00 O ATOM 814 CB VAL A 469 -13.658 -40.639 -39.244 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.556 -40.612 -40.772 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.980 -39.256 -38.728 1.00 25.00 C ATOM 0 H VAL A 469 -16.161 -40.562 -39.841 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.377 -42.658 -39.146 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.701 -40.941 -38.818 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.808 -39.878 -41.074 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.264 -41.598 -41.135 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.523 -40.341 -41.196 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.214 -38.556 -39.061 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.950 -38.941 -39.112 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.009 -39.272 -37.638 1.00 25.00 H new ATOM 826 N ALA A 470 -15.837 -41.034 -36.715 1.00 25.00 N ATOM 827 CA ALA A 470 -16.013 -41.004 -35.259 1.00 25.00 C ATOM 828 C ALA A 470 -16.163 -42.415 -34.689 1.00 25.00 C ATOM 829 O ALA A 470 -15.702 -42.689 -33.582 1.00 25.00 O ATOM 830 CB ALA A 470 -17.227 -40.148 -34.875 1.00 25.00 C ATOM 0 H ALA A 470 -16.532 -40.500 -37.236 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.117 -40.556 -34.829 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.338 -40.140 -33.791 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.081 -39.129 -35.232 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.125 -40.566 -35.329 1.00 25.00 H new ATOM 836 N ALA A 471 -16.787 -43.310 -35.444 1.00 25.00 N ATOM 837 CA ALA A 471 -16.931 -44.694 -35.007 1.00 25.00 C ATOM 838 C ALA A 471 -15.547 -45.351 -34.900 1.00 25.00 C ATOM 839 O ALA A 471 -15.291 -46.122 -33.984 1.00 25.00 O ATOM 840 CB ALA A 471 -17.823 -45.466 -35.985 1.00 25.00 C ATOM 0 H ALA A 471 -17.199 -43.106 -36.355 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.404 -44.714 -34.025 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.923 -46.498 -35.649 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.808 -45.000 -36.025 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.373 -45.450 -36.978 1.00 25.00 H new ATOM 846 N ALA A 472 -14.659 -45.027 -35.827 1.00 25.00 N ATOM 847 CA ALA A 472 -13.293 -45.544 -35.795 1.00 25.00 C ATOM 848 C ALA A 472 -12.486 -44.871 -34.675 1.00 25.00 C ATOM 849 O ALA A 472 -11.648 -45.498 -34.051 1.00 25.00 O ATOM 850 CB ALA A 472 -12.611 -45.328 -37.155 1.00 25.00 C ATOM 0 H ALA A 472 -14.857 -44.408 -36.613 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.332 -46.614 -35.591 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.594 -45.718 -37.118 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.172 -45.850 -37.930 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.583 -44.262 -37.383 1.00 25.00 H new ATOM 856 N GLN A 473 -12.732 -43.592 -34.431 1.00 25.00 N ATOM 857 CA GLN A 473 -12.006 -42.865 -33.392 1.00 25.00 C ATOM 858 C GLN A 473 -12.347 -43.365 -31.997 1.00 25.00 C ATOM 859 O GLN A 473 -11.465 -43.601 -31.180 1.00 25.00 O ATOM 860 CB GLN A 473 -12.319 -41.361 -33.439 1.00 25.00 C ATOM 861 CG GLN A 473 -11.949 -40.647 -34.736 1.00 25.00 C ATOM 862 CD GLN A 473 -10.462 -40.466 -34.936 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.665 -40.654 -34.036 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.088 -40.093 -36.132 1.00 25.00 N ATOM 0 H GLN A 473 -13.424 -43.036 -34.933 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.949 -43.039 -33.593 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.386 -41.225 -33.263 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.796 -40.874 -32.616 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.352 -41.211 -35.577 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.429 -39.668 -34.749 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.785 -39.945 -36.861 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.099 -39.950 -36.336 1.00 25.00 H new ATOM 873 N ARG A 474 -13.631 -43.542 -31.715 1.00 25.00 N ATOM 874 CA ARG A 474 -14.039 -44.044 -30.396 1.00 25.00 C ATOM 875 C ARG A 474 -13.503 -45.458 -30.209 1.00 25.00 C ATOM 876 O ARG A 474 -13.241 -45.893 -29.095 1.00 25.00 O ATOM 877 CB ARG A 474 -15.564 -43.982 -30.214 1.00 25.00 C ATOM 878 CG ARG A 474 -16.378 -44.898 -31.115 1.00 25.00 C ATOM 879 CD ARG A 474 -17.868 -44.574 -31.042 1.00 25.00 C ATOM 880 NE ARG A 474 -18.423 -44.791 -29.694 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.664 -44.496 -29.320 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.535 -43.961 -30.141 1.00 25.00 N ATOM 883 NH2 ARG A 474 -20.034 -44.736 -28.093 1.00 25.00 N ATOM 0 H ARG A 474 -14.398 -43.353 -32.361 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.613 -43.403 -29.625 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.797 -44.224 -29.177 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.889 -42.955 -30.383 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.033 -44.798 -32.144 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.215 -45.936 -30.823 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.026 -43.536 -31.335 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.408 -45.193 -31.759 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.806 -45.200 -28.992 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.269 -43.757 -31.104 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.478 -43.749 -29.816 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.374 -45.146 -27.432 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.984 -44.514 -27.794 1.00 25.00 H new ATOM 897 N LEU A 475 -13.326 -46.154 -31.319 1.00 25.00 N ATOM 898 CA LEU A 475 -12.760 -47.493 -31.320 1.00 25.00 C ATOM 899 C LEU A 475 -11.253 -47.457 -31.022 1.00 25.00 C ATOM 900 O LEU A 475 -10.795 -48.163 -30.134 1.00 25.00 O ATOM 901 CB LEU A 475 -13.043 -48.153 -32.682 1.00 25.00 C ATOM 902 CG LEU A 475 -11.989 -49.093 -33.284 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.860 -50.374 -32.454 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.359 -49.451 -34.712 1.00 25.00 C ATOM 0 H LEU A 475 -13.571 -45.807 -32.246 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.226 -48.083 -30.531 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.972 -48.716 -32.589 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.224 -47.356 -33.403 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.031 -48.573 -33.276 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.107 -51.023 -32.901 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.562 -50.120 -31.437 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.819 -50.892 -32.433 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.603 -50.118 -35.127 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.328 -49.949 -34.723 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.411 -48.543 -35.313 1.00 25.00 H new ATOM 916 N VAL A 476 -10.478 -46.661 -31.750 1.00 25.00 N ATOM 917 CA VAL A 476 -9.021 -46.659 -31.564 1.00 25.00 C ATOM 918 C VAL A 476 -8.680 -46.186 -30.157 1.00 25.00 C ATOM 919 O VAL A 476 -7.755 -46.691 -29.518 1.00 25.00 O ATOM 920 CB VAL A 476 -8.275 -45.836 -32.670 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.619 -44.364 -32.631 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.761 -46.024 -32.553 1.00 25.00 C ATOM 0 H VAL A 476 -10.820 -46.018 -32.464 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.663 -47.682 -31.676 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.615 -46.223 -33.631 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.075 -43.842 -33.418 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.691 -44.237 -32.785 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.340 -43.951 -31.662 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.261 -45.445 -33.329 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.427 -45.682 -31.573 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.515 -47.079 -32.673 1.00 25.00 H new ATOM 932 N HIS A 477 -9.452 -45.234 -29.661 1.00 25.00 N ATOM 933 CA HIS A 477 -9.266 -44.722 -28.325 1.00 25.00 C ATOM 934 C HIS A 477 -9.514 -45.819 -27.300 1.00 25.00 C ATOM 935 O HIS A 477 -8.848 -45.865 -26.282 1.00 25.00 O ATOM 936 CB HIS A 477 -10.210 -43.546 -28.095 1.00 25.00 C ATOM 937 CG HIS A 477 -9.849 -42.718 -26.901 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.682 -41.807 -26.302 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.693 -42.662 -26.185 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.029 -41.252 -25.284 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.810 -41.738 -25.166 1.00 25.00 N ATOM 0 H HIS A 477 -10.219 -44.800 -30.174 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.238 -44.378 -28.210 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.210 -42.911 -28.981 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.225 -43.923 -27.973 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.812 -43.254 -26.385 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.447 -40.497 -24.635 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.106 -41.486 -24.472 1.00 25.00 H new ATOM 949 N ALA A 478 -10.456 -46.716 -27.568 1.00 25.00 N ATOM 950 CA ALA A 478 -10.746 -47.786 -26.624 1.00 25.00 C ATOM 951 C ALA A 478 -9.505 -48.659 -26.416 1.00 25.00 C ATOM 952 O ALA A 478 -9.169 -49.002 -25.291 1.00 25.00 O ATOM 953 CB ALA A 478 -11.925 -48.631 -27.117 1.00 25.00 C ATOM 0 H ALA A 478 -11.023 -46.724 -28.416 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.021 -47.342 -25.667 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.128 -49.426 -26.399 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.808 -48.000 -27.219 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.679 -49.069 -28.084 1.00 25.00 H new ATOM 959 N ILE A 479 -8.818 -49.008 -27.495 1.00 25.00 N ATOM 960 CA ILE A 479 -7.627 -49.855 -27.386 1.00 25.00 C ATOM 961 C ILE A 479 -6.498 -49.073 -26.744 1.00 25.00 C ATOM 962 O ILE A 479 -5.717 -49.626 -25.991 1.00 25.00 O ATOM 963 CB ILE A 479 -7.141 -50.371 -28.755 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.280 -51.071 -29.498 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.965 -51.365 -28.598 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.502 -50.464 -30.817 1.00 25.00 C ATOM 0 H ILE A 479 -9.056 -48.725 -28.446 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.907 -50.714 -26.776 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.802 -49.506 -29.325 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -8.046 -52.129 -29.616 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.194 -51.011 -28.908 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.646 -51.710 -29.582 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.132 -50.868 -28.100 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.287 -52.218 -28.001 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.317 -50.981 -31.323 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.760 -49.412 -30.695 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.594 -50.548 -31.414 1.00 25.00 H new ATOM 978 N ALA A 480 -6.425 -47.780 -27.022 1.00 25.00 N ATOM 979 CA ALA A 480 -5.388 -46.935 -26.443 1.00 25.00 C ATOM 980 C ALA A 480 -5.473 -46.987 -24.907 1.00 25.00 C ATOM 981 O ALA A 480 -4.481 -46.800 -24.204 1.00 25.00 O ATOM 982 CB ALA A 480 -5.541 -45.492 -26.959 1.00 25.00 C ATOM 0 H ALA A 480 -7.070 -47.292 -27.644 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.407 -47.302 -26.744 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.763 -44.865 -26.523 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.448 -45.482 -28.045 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.520 -45.106 -26.675 1.00 25.00 H new ATOM 988 N LEU A 481 -6.665 -47.251 -24.393 1.00 25.00 N ATOM 989 CA LEU A 481 -6.852 -47.393 -22.944 1.00 25.00 C ATOM 990 C LEU A 481 -6.444 -48.775 -22.498 1.00 25.00 C ATOM 991 O LEU A 481 -5.805 -48.946 -21.475 1.00 25.00 O ATOM 992 CB LEU A 481 -8.299 -47.142 -22.550 1.00 25.00 C ATOM 993 CG LEU A 481 -8.728 -45.751 -22.990 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.235 -45.720 -23.152 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.268 -44.666 -22.022 1.00 25.00 C ATOM 0 H LEU A 481 -7.514 -47.372 -24.945 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.223 -46.650 -22.453 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.944 -47.892 -23.008 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.412 -47.241 -21.470 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.248 -45.537 -23.945 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.547 -44.724 -23.467 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.535 -46.449 -23.904 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.708 -45.964 -22.201 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.600 -43.692 -22.382 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.695 -44.853 -21.037 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.180 -44.676 -21.954 1.00 25.00 H new ATOM 1007 N MET A 482 -6.805 -49.774 -23.281 1.00 25.00 N ATOM 1008 CA MET A 482 -6.466 -51.152 -22.945 1.00 25.00 C ATOM 1009 C MET A 482 -4.979 -51.360 -22.912 1.00 25.00 C ATOM 1010 O MET A 482 -4.486 -52.225 -22.199 1.00 25.00 O ATOM 1011 CB MET A 482 -7.064 -52.121 -23.959 1.00 25.00 C ATOM 1012 CG MET A 482 -8.530 -51.998 -24.004 1.00 25.00 C ATOM 1013 SD MET A 482 -9.380 -53.459 -24.630 1.00 25.00 S ATOM 1014 CE MET A 482 -9.151 -53.267 -26.395 1.00 25.00 C ATOM 0 H MET A 482 -7.329 -49.663 -24.149 1.00 25.00 H new ATOM 0 HA MET A 482 -6.880 -51.346 -21.955 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.648 -51.922 -24.947 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.789 -53.143 -23.697 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.895 -51.782 -23.000 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.792 -51.144 -24.629 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.625 -54.099 -26.916 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.603 -52.330 -26.721 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.085 -53.255 -26.624 1.00 25.00 H new ATOM 1024 N THR A 483 -4.253 -50.580 -23.685 1.00 25.00 N ATOM 1025 CA THR A 483 -2.812 -50.793 -23.757 1.00 25.00 C ATOM 1026 C THR A 483 -2.141 -50.238 -22.515 1.00 25.00 C ATOM 1027 O THR A 483 -1.206 -50.840 -21.993 1.00 25.00 O ATOM 1028 CB THR A 483 -2.215 -50.204 -25.034 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.596 -48.834 -25.159 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.736 -50.966 -26.251 1.00 25.00 C ATOM 0 H THR A 483 -4.615 -49.816 -24.256 1.00 25.00 H new ATOM 0 HA THR A 483 -2.627 -51.866 -23.796 1.00 25.00 H new ATOM 0 HB THR A 483 -1.129 -50.286 -24.981 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.210 -48.460 -25.979 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.306 -50.541 -27.158 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.452 -52.015 -26.172 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.822 -50.886 -26.292 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.627 -49.111 -22.014 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.065 -48.542 -20.792 1.00 25.00 C ATOM 1040 C GLN A 484 -2.587 -49.304 -19.571 1.00 25.00 C ATOM 1041 O GLN A 484 -1.892 -49.403 -18.566 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.331 -47.030 -20.693 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.787 -46.622 -20.724 1.00 25.00 C ATOM 1044 CD GLN A 484 -3.964 -45.129 -20.828 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.884 -44.412 -19.847 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.210 -44.654 -22.022 1.00 25.00 N ATOM 0 H GLN A 484 -3.395 -48.579 -22.424 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.982 -48.657 -20.822 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.888 -46.661 -19.768 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.815 -46.533 -21.515 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.278 -47.103 -21.570 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.281 -46.982 -19.822 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.270 -45.286 -22.820 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.342 -43.651 -22.155 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.785 -49.879 -19.653 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.289 -50.707 -18.565 1.00 25.00 C ATOM 1057 C PHE A 485 -3.493 -52.010 -18.528 1.00 25.00 C ATOM 1058 O PHE A 485 -3.276 -52.593 -17.468 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.778 -50.992 -18.746 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.666 -50.083 -17.935 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.856 -50.325 -16.561 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.309 -48.979 -18.528 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.676 -49.473 -15.780 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -8.130 -48.117 -17.756 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.309 -48.364 -16.380 1.00 25.00 C ATOM 0 H PHE A 485 -4.415 -49.788 -20.450 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.167 -50.177 -17.620 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.034 -50.891 -19.801 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.979 -52.026 -18.467 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.371 -51.171 -16.096 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -7.176 -48.786 -19.582 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.816 -49.672 -14.728 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.617 -47.273 -18.222 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.928 -47.707 -15.787 1.00 25.00 H new