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 -164:sc= -0.0942 (180deg=-0.407) USER MOD Single : A 433 MET CE :methyl -173:sc= 0 (180deg=-0.0892) USER MOD Single : A 434 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 436 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.2) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 477 HIS : no HD1:sc= -0.446 X(o=-0.45,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot -21:sc= 1.16 USER MOD Single : A 484 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 0.658 -39.870 -23.581 1.00 25.00 N ATOM 114 CA GLU A 419 -0.263 -38.800 -23.199 1.00 25.00 C ATOM 115 C GLU A 419 -0.783 -38.074 -24.424 1.00 25.00 C ATOM 116 O GLU A 419 -1.900 -37.604 -24.433 1.00 25.00 O ATOM 117 CB GLU A 419 0.440 -37.767 -22.304 1.00 25.00 C ATOM 118 CG GLU A 419 1.328 -38.357 -21.218 1.00 25.00 C ATOM 119 CD GLU A 419 0.586 -39.253 -20.251 1.00 25.00 C ATOM 120 OE1 GLU A 419 0.797 -40.485 -20.317 1.00 25.00 O ATOM 121 OE2 GLU A 419 -0.188 -38.738 -19.423 1.00 25.00 O ATOM 0 HA GLU A 419 -1.088 -39.265 -22.659 1.00 25.00 H new ATOM 0 HB2 GLU A 419 1.046 -37.115 -22.934 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -0.318 -37.141 -21.833 1.00 25.00 H new ATOM 0 HG2 GLU A 419 2.131 -38.927 -21.686 1.00 25.00 H new ATOM 0 HG3 GLU A 419 1.796 -37.545 -20.662 1.00 25.00 H new ATOM 128 N VAL A 420 0.032 -37.989 -25.466 1.00 25.00 N ATOM 129 CA VAL A 420 -0.361 -37.276 -26.687 1.00 25.00 C ATOM 130 C VAL A 420 -1.562 -37.968 -27.345 1.00 25.00 C ATOM 131 O VAL A 420 -2.364 -37.330 -28.018 1.00 25.00 O ATOM 132 CB VAL A 420 0.829 -37.168 -27.698 1.00 25.00 C ATOM 133 CG1 VAL A 420 0.449 -36.305 -28.917 1.00 25.00 C ATOM 134 CG2 VAL A 420 2.054 -36.536 -27.017 1.00 25.00 C ATOM 0 H VAL A 420 0.965 -38.400 -25.497 1.00 25.00 H new ATOM 0 HA VAL A 420 -0.647 -36.263 -26.404 1.00 25.00 H new ATOM 0 HB VAL A 420 1.064 -38.179 -28.032 1.00 25.00 H new ATOM 0 HG11 VAL A 420 1.296 -36.249 -29.601 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -0.402 -36.754 -29.429 1.00 25.00 H new ATOM 0 HG13 VAL A 420 0.184 -35.301 -28.584 1.00 25.00 H new ATOM 0 HG21 VAL A 420 2.873 -36.468 -27.733 1.00 25.00 H new ATOM 0 HG22 VAL A 420 1.798 -35.538 -26.662 1.00 25.00 H new ATOM 0 HG23 VAL A 420 2.360 -37.154 -26.173 1.00 25.00 H new ATOM 144 N SER A 421 -1.702 -39.269 -27.136 1.00 25.00 N ATOM 145 CA SER A 421 -2.828 -39.996 -27.718 1.00 25.00 C ATOM 146 C SER A 421 -4.138 -39.553 -27.069 1.00 25.00 C ATOM 147 O SER A 421 -5.147 -39.371 -27.744 1.00 25.00 O ATOM 148 CB SER A 421 -2.647 -41.498 -27.528 1.00 25.00 C ATOM 149 OG SER A 421 -1.453 -41.941 -28.156 1.00 25.00 O ATOM 0 H SER A 421 -1.064 -39.837 -26.579 1.00 25.00 H new ATOM 0 HA SER A 421 -2.864 -39.774 -28.784 1.00 25.00 H new ATOM 0 HB2 SER A 421 -2.614 -41.734 -26.464 1.00 25.00 H new ATOM 0 HB3 SER A 421 -3.503 -42.029 -27.946 1.00 25.00 H new ATOM 0 HG SER A 421 -1.352 -42.907 -28.023 1.00 25.00 H new ATOM 155 N ASP A 422 -4.108 -39.372 -25.756 1.00 25.00 N ATOM 156 CA ASP A 422 -5.289 -38.922 -25.014 1.00 25.00 C ATOM 157 C ASP A 422 -5.496 -37.434 -25.250 1.00 25.00 C ATOM 158 O ASP A 422 -6.618 -36.948 -25.320 1.00 25.00 O ATOM 159 CB ASP A 422 -5.103 -39.182 -23.520 1.00 25.00 C ATOM 160 CG ASP A 422 -6.357 -38.878 -22.721 1.00 25.00 C ATOM 161 OD1 ASP A 422 -6.294 -38.027 -21.811 1.00 25.00 O ATOM 162 OD2 ASP A 422 -7.408 -39.498 -22.999 1.00 25.00 O ATOM 0 H ASP A 422 -3.282 -39.528 -25.178 1.00 25.00 H new ATOM 0 HA ASP A 422 -6.161 -39.475 -25.363 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -4.821 -40.224 -23.367 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -4.281 -38.572 -23.147 1.00 25.00 H new ATOM 167 N MET A 423 -4.392 -36.718 -25.394 1.00 25.00 N ATOM 168 CA MET A 423 -4.420 -35.282 -25.655 1.00 25.00 C ATOM 169 C MET A 423 -5.178 -35.022 -26.945 1.00 25.00 C ATOM 170 O MET A 423 -6.009 -34.133 -27.016 1.00 25.00 O ATOM 171 CB MET A 423 -2.988 -34.753 -25.774 1.00 25.00 C ATOM 172 CG MET A 423 -2.846 -33.241 -25.781 1.00 25.00 C ATOM 173 SD MET A 423 -1.103 -32.761 -26.067 1.00 25.00 S ATOM 174 CE MET A 423 -0.264 -33.449 -24.618 1.00 25.00 C ATOM 0 H MET A 423 -3.453 -37.111 -25.334 1.00 25.00 H new ATOM 0 HA MET A 423 -4.920 -34.769 -24.833 1.00 25.00 H new ATOM 0 HB2 MET A 423 -2.403 -35.151 -24.945 1.00 25.00 H new ATOM 0 HB3 MET A 423 -2.550 -35.146 -26.692 1.00 25.00 H new ATOM 0 HG2 MET A 423 -3.479 -32.814 -26.559 1.00 25.00 H new ATOM 0 HG3 MET A 423 -3.190 -32.833 -24.831 1.00 25.00 H new ATOM 0 HE1 MET A 423 0.723 -32.996 -24.520 1.00 25.00 H new ATOM 0 HE2 MET A 423 -0.850 -33.238 -23.724 1.00 25.00 H new ATOM 0 HE3 MET A 423 -0.158 -34.527 -24.737 1.00 25.00 H new ATOM 184 N ALA A 424 -4.902 -35.816 -27.966 1.00 25.00 N ATOM 185 CA ALA A 424 -5.565 -35.654 -29.254 1.00 25.00 C ATOM 186 C ALA A 424 -7.060 -35.956 -29.123 1.00 25.00 C ATOM 187 O ALA A 424 -7.894 -35.336 -29.784 1.00 25.00 O ATOM 188 CB ALA A 424 -4.919 -36.583 -30.290 1.00 25.00 C ATOM 0 H ALA A 424 -4.225 -36.578 -27.931 1.00 25.00 H new ATOM 0 HA ALA A 424 -5.451 -34.622 -29.586 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -5.418 -36.459 -31.251 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -3.863 -36.334 -30.394 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -5.017 -37.618 -29.962 1.00 25.00 H new ATOM 194 N ALA A 425 -7.395 -36.919 -28.277 1.00 25.00 N ATOM 195 CA ALA A 425 -8.784 -37.314 -28.086 1.00 25.00 C ATOM 196 C ALA A 425 -9.579 -36.220 -27.360 1.00 25.00 C ATOM 197 O ALA A 425 -10.692 -35.886 -27.766 1.00 25.00 O ATOM 198 CB ALA A 425 -8.851 -38.632 -27.302 1.00 25.00 C ATOM 0 H ALA A 425 -6.725 -37.441 -27.712 1.00 25.00 H new ATOM 0 HA ALA A 425 -9.235 -37.458 -29.068 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -9.893 -38.920 -27.163 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -8.329 -39.412 -27.856 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -8.378 -38.501 -26.329 1.00 25.00 H new ATOM 204 N VAL A 426 -9.022 -35.673 -26.287 1.00 25.00 N ATOM 205 CA VAL A 426 -9.718 -34.642 -25.520 1.00 25.00 C ATOM 206 C VAL A 426 -9.785 -33.337 -26.311 1.00 25.00 C ATOM 207 O VAL A 426 -10.792 -32.642 -26.274 1.00 25.00 O ATOM 208 CB VAL A 426 -9.080 -34.450 -24.105 1.00 25.00 C ATOM 209 CG1 VAL A 426 -7.688 -33.821 -24.158 1.00 25.00 C ATOM 210 CG2 VAL A 426 -9.999 -33.624 -23.210 1.00 25.00 C ATOM 0 H VAL A 426 -8.100 -35.921 -25.929 1.00 25.00 H new ATOM 0 HA VAL A 426 -10.743 -34.973 -25.352 1.00 25.00 H new ATOM 0 HB VAL A 426 -8.960 -35.447 -23.681 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -7.298 -33.714 -23.146 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -7.022 -34.460 -24.737 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -7.750 -32.840 -24.629 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -9.538 -33.501 -22.230 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -10.161 -32.645 -23.660 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -10.955 -34.135 -23.100 1.00 25.00 H new ATOM 220 N GLU A 427 -8.733 -33.017 -27.048 1.00 25.00 N ATOM 221 CA GLU A 427 -8.737 -31.816 -27.884 1.00 25.00 C ATOM 222 C GLU A 427 -9.840 -31.928 -28.930 1.00 25.00 C ATOM 223 O GLU A 427 -10.572 -30.971 -29.175 1.00 25.00 O ATOM 224 CB GLU A 427 -7.388 -31.623 -28.581 1.00 25.00 C ATOM 225 CG GLU A 427 -6.330 -30.950 -27.700 1.00 25.00 C ATOM 226 CD GLU A 427 -4.986 -30.776 -28.409 1.00 25.00 C ATOM 227 OE1 GLU A 427 -4.047 -30.237 -27.777 1.00 25.00 O ATOM 228 OE2 GLU A 427 -4.866 -31.164 -29.595 1.00 25.00 O ATOM 0 H GLU A 427 -7.872 -33.562 -27.088 1.00 25.00 H new ATOM 0 HA GLU A 427 -8.917 -30.953 -27.243 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -7.014 -32.594 -28.905 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -7.536 -31.023 -29.479 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -6.697 -29.974 -27.383 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -6.185 -31.544 -26.798 1.00 25.00 H new ATOM 235 N ALA A 428 -9.977 -33.099 -29.543 1.00 25.00 N ATOM 236 CA ALA A 428 -11.017 -33.308 -30.542 1.00 25.00 C ATOM 237 C ALA A 428 -12.406 -33.181 -29.908 1.00 25.00 C ATOM 238 O ALA A 428 -13.326 -32.627 -30.517 1.00 25.00 O ATOM 239 CB ALA A 428 -10.852 -34.684 -31.195 1.00 25.00 C ATOM 0 H ALA A 428 -9.386 -33.911 -29.367 1.00 25.00 H new ATOM 0 HA ALA A 428 -10.920 -32.541 -31.310 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -11.634 -34.829 -31.940 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -9.876 -34.743 -31.677 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -10.928 -35.460 -30.433 1.00 25.00 H new ATOM 245 N ALA A 429 -12.550 -33.686 -28.690 1.00 25.00 N ATOM 246 CA ALA A 429 -13.822 -33.625 -27.982 1.00 25.00 C ATOM 247 C ALA A 429 -14.200 -32.173 -27.688 1.00 25.00 C ATOM 248 O ALA A 429 -15.337 -31.770 -27.905 1.00 25.00 O ATOM 249 CB ALA A 429 -13.742 -34.434 -26.679 1.00 25.00 C ATOM 0 H ALA A 429 -11.800 -34.143 -28.171 1.00 25.00 H new ATOM 0 HA ALA A 429 -14.595 -34.060 -28.615 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -14.698 -34.381 -26.159 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -13.512 -35.474 -26.910 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -12.959 -34.022 -26.042 1.00 25.00 H new ATOM 255 N GLU A 430 -13.248 -31.388 -27.206 1.00 25.00 N ATOM 256 CA GLU A 430 -13.506 -29.981 -26.897 1.00 25.00 C ATOM 257 C GLU A 430 -13.901 -29.250 -28.166 1.00 25.00 C ATOM 258 O GLU A 430 -14.883 -28.507 -28.201 1.00 25.00 O ATOM 259 CB GLU A 430 -12.256 -29.317 -26.324 1.00 25.00 C ATOM 260 CG GLU A 430 -11.888 -29.776 -24.932 1.00 25.00 C ATOM 261 CD GLU A 430 -12.646 -29.019 -23.847 1.00 25.00 C ATOM 262 OE1 GLU A 430 -13.882 -29.195 -23.745 1.00 25.00 O ATOM 263 OE2 GLU A 430 -12.009 -28.250 -23.096 1.00 25.00 O ATOM 0 H GLU A 430 -12.293 -31.695 -27.020 1.00 25.00 H new ATOM 0 HA GLU A 430 -14.309 -29.932 -26.162 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -11.417 -29.513 -26.992 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -12.407 -28.238 -26.310 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -12.095 -30.842 -24.838 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -10.817 -29.644 -24.781 1.00 25.00 H new ATOM 270 N LEU A 431 -13.132 -29.478 -29.219 1.00 25.00 N ATOM 271 CA LEU A 431 -13.385 -28.835 -30.505 1.00 25.00 C ATOM 272 C LEU A 431 -14.783 -29.131 -31.036 1.00 25.00 C ATOM 273 O LEU A 431 -15.442 -28.233 -31.568 1.00 25.00 O ATOM 274 CB LEU A 431 -12.343 -29.280 -31.540 1.00 25.00 C ATOM 275 CG LEU A 431 -10.958 -28.622 -31.417 1.00 25.00 C ATOM 276 CD1 LEU A 431 -9.957 -29.379 -32.289 1.00 25.00 C ATOM 277 CD2 LEU A 431 -10.998 -27.147 -31.837 1.00 25.00 C ATOM 0 H LEU A 431 -12.326 -30.103 -29.211 1.00 25.00 H new ATOM 0 HA LEU A 431 -13.310 -27.760 -30.340 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -12.220 -30.360 -31.463 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -12.736 -29.074 -32.536 1.00 25.00 H new ATOM 0 HG LEU A 431 -10.651 -28.665 -30.372 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -8.975 -28.914 -32.203 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -9.898 -30.416 -31.958 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -10.283 -29.348 -33.328 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -10.003 -26.713 -31.738 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -11.324 -27.073 -32.874 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -11.695 -26.605 -31.198 1.00 25.00 H new ATOM 289 N GLU A 432 -15.256 -30.364 -30.917 1.00 25.00 N ATOM 290 CA GLU A 432 -16.607 -30.658 -31.387 1.00 25.00 C ATOM 291 C GLU A 432 -17.689 -30.159 -30.432 1.00 25.00 C ATOM 292 O GLU A 432 -18.725 -29.677 -30.888 1.00 25.00 O ATOM 293 CB GLU A 432 -16.800 -32.138 -31.765 1.00 25.00 C ATOM 294 CG GLU A 432 -16.923 -33.141 -30.629 1.00 25.00 C ATOM 295 CD GLU A 432 -17.294 -34.523 -31.154 1.00 25.00 C ATOM 296 OE1 GLU A 432 -16.662 -34.986 -32.132 1.00 25.00 O ATOM 297 OE2 GLU A 432 -18.230 -35.141 -30.601 1.00 25.00 O ATOM 0 H GLU A 432 -14.749 -31.152 -30.515 1.00 25.00 H new ATOM 0 HA GLU A 432 -16.727 -30.089 -32.309 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -17.697 -32.214 -32.380 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -15.959 -32.438 -32.390 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -15.980 -33.196 -30.085 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -17.680 -32.802 -29.921 1.00 25.00 H new ATOM 304 N MET A 433 -17.466 -30.238 -29.123 1.00 25.00 N ATOM 305 CA MET A 433 -18.465 -29.771 -28.158 1.00 25.00 C ATOM 306 C MET A 433 -18.670 -28.276 -28.287 1.00 25.00 C ATOM 307 O MET A 433 -19.796 -27.799 -28.180 1.00 25.00 O ATOM 308 CB MET A 433 -18.055 -30.095 -26.719 1.00 25.00 C ATOM 309 CG MET A 433 -18.254 -31.556 -26.348 1.00 25.00 C ATOM 310 SD MET A 433 -17.968 -31.876 -24.587 1.00 25.00 S ATOM 311 CE MET A 433 -16.174 -31.606 -24.435 1.00 25.00 C ATOM 0 H MET A 433 -16.615 -30.615 -28.707 1.00 25.00 H new ATOM 0 HA MET A 433 -19.395 -30.293 -28.382 1.00 25.00 H new ATOM 0 HB2 MET A 433 -17.006 -29.832 -26.580 1.00 25.00 H new ATOM 0 HB3 MET A 433 -18.633 -29.473 -26.036 1.00 25.00 H new ATOM 0 HG2 MET A 433 -19.269 -31.858 -26.608 1.00 25.00 H new ATOM 0 HG3 MET A 433 -17.577 -32.172 -26.940 1.00 25.00 H new ATOM 0 HE1 MET A 433 -15.847 -31.890 -23.435 1.00 25.00 H new ATOM 0 HE2 MET A 433 -15.651 -32.213 -25.174 1.00 25.00 H new ATOM 0 HE3 MET A 433 -15.949 -30.553 -24.605 1.00 25.00 H new ATOM 321 N THR A 434 -17.591 -27.544 -28.537 1.00 25.00 N ATOM 322 CA THR A 434 -17.641 -26.085 -28.691 1.00 25.00 C ATOM 323 C THR A 434 -18.668 -25.671 -29.749 1.00 25.00 C ATOM 324 O THR A 434 -19.301 -24.633 -29.644 1.00 25.00 O ATOM 325 CB THR A 434 -16.240 -25.522 -29.076 1.00 25.00 C ATOM 326 OG1 THR A 434 -15.295 -25.862 -28.059 1.00 25.00 O ATOM 327 CG2 THR A 434 -16.246 -24.002 -29.185 1.00 25.00 C ATOM 0 H THR A 434 -16.656 -27.939 -28.639 1.00 25.00 H new ATOM 0 HA THR A 434 -17.944 -25.667 -27.731 1.00 25.00 H new ATOM 0 HB THR A 434 -15.977 -25.955 -30.041 1.00 25.00 H new ATOM 0 HG1 THR A 434 -14.918 -26.747 -28.245 1.00 25.00 H new ATOM 0 HG21 THR A 434 -15.249 -23.653 -29.455 1.00 25.00 H new ATOM 0 HG22 THR A 434 -16.958 -23.695 -29.951 1.00 25.00 H new ATOM 0 HG23 THR A 434 -16.535 -23.570 -28.227 1.00 25.00 H new ATOM 335 N ARG A 435 -18.854 -26.492 -30.768 1.00 25.00 N ATOM 336 CA ARG A 435 -19.800 -26.161 -31.839 1.00 25.00 C ATOM 337 C ARG A 435 -21.234 -26.190 -31.337 1.00 25.00 C ATOM 338 O ARG A 435 -22.011 -25.304 -31.634 1.00 25.00 O ATOM 339 CB ARG A 435 -19.643 -27.120 -33.018 1.00 25.00 C ATOM 340 CG ARG A 435 -18.215 -27.203 -33.509 1.00 25.00 C ATOM 341 CD ARG A 435 -18.109 -27.918 -34.839 1.00 25.00 C ATOM 342 NE ARG A 435 -16.691 -28.148 -35.174 1.00 25.00 N ATOM 343 CZ ARG A 435 -16.067 -29.322 -35.123 1.00 25.00 C ATOM 344 NH1 ARG A 435 -16.679 -30.434 -34.802 1.00 25.00 N ATOM 345 NH2 ARG A 435 -14.796 -29.377 -35.405 1.00 25.00 N ATOM 0 H ARG A 435 -18.373 -27.384 -30.883 1.00 25.00 H new ATOM 0 HA ARG A 435 -19.573 -25.149 -32.174 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -19.981 -28.113 -32.722 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -20.287 -26.795 -33.835 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -17.807 -26.197 -33.606 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -17.608 -27.724 -32.769 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -18.640 -28.869 -34.794 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -18.584 -27.324 -35.620 1.00 25.00 H new ATOM 0 HE ARG A 435 -16.143 -27.340 -35.469 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -17.674 -30.422 -34.578 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -16.161 -31.312 -34.776 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -14.293 -28.527 -35.661 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -14.304 -30.270 -35.370 1.00 25.00 H new ATOM 359 N GLN A 436 -21.578 -27.206 -30.563 1.00 25.00 N ATOM 360 CA GLN A 436 -22.934 -27.321 -30.023 1.00 25.00 C ATOM 361 C GLN A 436 -23.127 -26.274 -28.940 1.00 25.00 C ATOM 362 O GLN A 436 -24.213 -25.745 -28.761 1.00 25.00 O ATOM 363 CB GLN A 436 -23.179 -28.713 -29.443 1.00 25.00 C ATOM 364 CG GLN A 436 -23.472 -29.774 -30.498 1.00 25.00 C ATOM 365 CD GLN A 436 -22.264 -30.140 -31.335 1.00 25.00 C ATOM 366 OE1 GLN A 436 -22.132 -29.722 -32.475 1.00 25.00 O ATOM 367 NE2 GLN A 436 -21.384 -30.922 -30.774 1.00 25.00 N ATOM 0 H GLN A 436 -20.947 -27.960 -30.293 1.00 25.00 H new ATOM 0 HA GLN A 436 -23.647 -27.161 -30.832 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -22.304 -29.017 -28.868 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -24.016 -28.665 -28.747 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -23.849 -30.671 -30.006 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -24.264 -29.414 -31.155 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -21.529 -31.251 -29.819 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -20.551 -31.205 -31.290 1.00 25.00 H new ATOM 376 N VAL A 437 -22.051 -25.980 -28.236 1.00 25.00 N ATOM 377 CA VAL A 437 -22.037 -24.941 -27.211 1.00 25.00 C ATOM 378 C VAL A 437 -22.344 -23.575 -27.844 1.00 25.00 C ATOM 379 O VAL A 437 -23.090 -22.785 -27.283 1.00 25.00 O ATOM 380 CB VAL A 437 -20.651 -24.952 -26.492 1.00 25.00 C ATOM 381 CG1 VAL A 437 -20.331 -23.629 -25.830 1.00 25.00 C ATOM 382 CG2 VAL A 437 -20.598 -26.098 -25.462 1.00 25.00 C ATOM 0 H VAL A 437 -21.156 -26.454 -28.355 1.00 25.00 H new ATOM 0 HA VAL A 437 -22.809 -25.135 -26.467 1.00 25.00 H new ATOM 0 HB VAL A 437 -19.891 -25.115 -27.256 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -19.357 -23.691 -25.345 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -20.312 -22.841 -26.583 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -21.093 -23.401 -25.085 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -19.627 -26.097 -24.966 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -21.384 -25.957 -24.720 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -20.745 -27.051 -25.970 1.00 25.00 H new ATOM 392 N LEU A 438 -21.791 -23.311 -29.018 1.00 25.00 N ATOM 393 CA LEU A 438 -22.039 -22.050 -29.726 1.00 25.00 C ATOM 394 C LEU A 438 -23.443 -21.998 -30.328 1.00 25.00 C ATOM 395 O LEU A 438 -23.919 -20.937 -30.702 1.00 25.00 O ATOM 396 CB LEU A 438 -21.002 -21.857 -30.839 1.00 25.00 C ATOM 397 CG LEU A 438 -19.598 -21.429 -30.375 1.00 25.00 C ATOM 398 CD1 LEU A 438 -18.613 -21.576 -31.535 1.00 25.00 C ATOM 399 CD2 LEU A 438 -19.586 -19.982 -29.869 1.00 25.00 C ATOM 0 H LEU A 438 -21.165 -23.951 -29.507 1.00 25.00 H new ATOM 0 HA LEU A 438 -21.955 -21.247 -28.994 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -20.912 -22.791 -31.393 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -21.379 -21.108 -31.536 1.00 25.00 H new ATOM 0 HG LEU A 438 -19.303 -22.075 -29.548 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -17.618 -21.273 -31.208 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -18.587 -22.616 -31.861 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -18.930 -20.944 -32.364 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -18.578 -19.716 -29.550 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -19.901 -19.314 -30.670 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -20.270 -19.886 -29.026 1.00 25.00 H new ATOM 720 N ALA A 462 -19.463 -33.265 -45.037 1.00 25.00 N ATOM 721 CA ALA A 462 -18.225 -33.318 -44.275 1.00 25.00 C ATOM 722 C ALA A 462 -18.524 -33.784 -42.847 1.00 25.00 C ATOM 723 O ALA A 462 -17.805 -34.614 -42.297 1.00 25.00 O ATOM 724 CB ALA A 462 -17.546 -31.944 -44.266 1.00 25.00 C ATOM 0 HA ALA A 462 -17.543 -34.028 -44.743 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -16.621 -31.999 -43.692 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -17.321 -31.643 -45.289 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -18.213 -31.212 -43.810 1.00 25.00 H new ATOM 730 N LEU A 463 -19.591 -33.268 -42.246 1.00 25.00 N ATOM 731 CA LEU A 463 -19.951 -33.676 -40.893 1.00 25.00 C ATOM 732 C LEU A 463 -20.404 -35.133 -40.892 1.00 25.00 C ATOM 733 O LEU A 463 -20.112 -35.853 -39.960 1.00 25.00 O ATOM 734 CB LEU A 463 -20.998 -32.726 -40.288 1.00 25.00 C ATOM 735 CG LEU A 463 -22.490 -33.109 -40.231 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.835 -34.038 -39.065 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.294 -31.842 -40.093 1.00 25.00 C ATOM 0 H LEU A 463 -20.213 -32.577 -42.666 1.00 25.00 H new ATOM 0 HA LEU A 463 -19.072 -33.607 -40.251 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.684 -32.518 -39.265 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.932 -31.788 -40.839 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.725 -33.650 -41.148 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.900 -34.267 -39.085 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.263 -34.962 -39.154 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.587 -33.548 -38.124 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -24.355 -32.087 -40.051 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -23.004 -31.325 -39.178 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -23.105 -31.196 -40.950 1.00 25.00 H new ATOM 749 N GLN A 464 -21.088 -35.595 -41.931 1.00 25.00 N ATOM 750 CA GLN A 464 -21.466 -37.011 -41.986 1.00 25.00 C ATOM 751 C GLN A 464 -20.219 -37.894 -42.042 1.00 25.00 C ATOM 752 O GLN A 464 -20.210 -39.001 -41.510 1.00 25.00 O ATOM 753 CB GLN A 464 -22.397 -37.307 -43.165 1.00 25.00 C ATOM 754 CG GLN A 464 -23.775 -36.679 -43.004 1.00 25.00 C ATOM 755 CD GLN A 464 -24.861 -37.499 -43.657 1.00 25.00 C ATOM 756 OE1 GLN A 464 -25.003 -37.522 -44.878 1.00 25.00 O ATOM 757 NE2 GLN A 464 -25.640 -38.169 -42.851 1.00 25.00 N ATOM 0 H GLN A 464 -21.388 -35.033 -42.728 1.00 25.00 H new ATOM 0 HA GLN A 464 -22.017 -37.242 -41.074 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -21.940 -36.938 -44.084 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -22.505 -38.386 -43.274 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.998 -36.565 -41.943 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -23.768 -35.679 -43.437 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -25.490 -38.125 -41.843 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -26.398 -38.737 -43.229 1.00 25.00 H new ATOM 766 N GLY A 465 -19.157 -37.390 -42.652 1.00 25.00 N ATOM 767 CA GLY A 465 -17.898 -38.105 -42.667 1.00 25.00 C ATOM 768 C GLY A 465 -17.346 -38.124 -41.259 1.00 25.00 C ATOM 769 O GLY A 465 -16.890 -39.151 -40.791 1.00 25.00 O ATOM 0 H GLY A 465 -19.145 -36.494 -43.139 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -18.043 -39.122 -43.032 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -17.194 -37.621 -43.344 1.00 25.00 H new ATOM 773 N ALA A 466 -17.414 -36.987 -40.575 1.00 25.00 N ATOM 774 CA ALA A 466 -16.952 -36.885 -39.191 1.00 25.00 C ATOM 775 C ALA A 466 -17.663 -37.908 -38.293 1.00 25.00 C ATOM 776 O ALA A 466 -17.050 -38.514 -37.435 1.00 25.00 O ATOM 777 CB ALA A 466 -17.177 -35.464 -38.657 1.00 25.00 C ATOM 0 H ALA A 466 -17.786 -36.118 -40.957 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.884 -37.104 -39.175 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.828 -35.403 -37.626 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.623 -34.753 -39.270 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.240 -35.225 -38.695 1.00 25.00 H new ATOM 783 N GLN A 467 -18.953 -38.103 -38.505 1.00 25.00 N ATOM 784 CA GLN A 467 -19.713 -39.079 -37.721 1.00 25.00 C ATOM 785 C GLN A 467 -19.228 -40.499 -38.012 1.00 25.00 C ATOM 786 O GLN A 467 -19.100 -41.329 -37.114 1.00 25.00 O ATOM 787 CB GLN A 467 -21.187 -39.005 -38.097 1.00 25.00 C ATOM 788 CG GLN A 467 -21.866 -37.664 -37.810 1.00 25.00 C ATOM 789 CD GLN A 467 -21.966 -37.326 -36.343 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.328 -38.152 -35.526 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.652 -36.097 -36.010 1.00 25.00 N ATOM 0 H GLN A 467 -19.499 -37.605 -39.208 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.570 -38.847 -36.666 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.286 -39.224 -39.160 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.722 -39.788 -37.559 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.313 -36.873 -38.317 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.868 -37.677 -38.238 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.353 -35.435 -36.726 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -21.707 -35.803 -35.035 1.00 25.00 H new ATOM 800 N ALA A 468 -18.968 -40.784 -39.282 1.00 25.00 N ATOM 801 CA ALA A 468 -18.526 -42.112 -39.687 1.00 25.00 C ATOM 802 C ALA A 468 -17.138 -42.414 -39.121 1.00 25.00 C ATOM 803 O ALA A 468 -16.891 -43.502 -38.605 1.00 25.00 O ATOM 804 CB ALA A 468 -18.518 -42.217 -41.219 1.00 25.00 C ATOM 0 H ALA A 468 -19.055 -40.115 -40.047 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.222 -42.849 -39.288 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -18.186 -43.213 -41.514 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.524 -42.042 -41.601 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.838 -41.471 -41.631 1.00 25.00 H new ATOM 810 N VAL A 469 -16.233 -41.450 -39.202 1.00 25.00 N ATOM 811 CA VAL A 469 -14.884 -41.653 -38.687 1.00 25.00 C ATOM 812 C VAL A 469 -14.907 -41.684 -37.170 1.00 25.00 C ATOM 813 O VAL A 469 -14.068 -42.321 -36.573 1.00 25.00 O ATOM 814 CB VAL A 469 -13.853 -40.594 -39.193 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.837 -40.560 -40.721 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.152 -39.219 -38.655 1.00 25.00 C ATOM 0 H VAL A 469 -16.402 -40.532 -39.613 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.546 -42.614 -39.076 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.871 -40.892 -38.824 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -13.114 -39.818 -41.061 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.557 -41.541 -41.104 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.828 -40.296 -41.089 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.412 -38.512 -39.031 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.146 -38.910 -38.979 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.115 -39.238 -37.566 1.00 25.00 H new ATOM 826 N ALA A 470 -15.866 -41.014 -36.541 1.00 25.00 N ATOM 827 CA ALA A 470 -15.960 -41.007 -35.079 1.00 25.00 C ATOM 828 C ALA A 470 -16.136 -42.431 -34.550 1.00 25.00 C ATOM 829 O ALA A 470 -15.665 -42.750 -33.462 1.00 25.00 O ATOM 830 CB ALA A 470 -17.115 -40.114 -34.609 1.00 25.00 C ATOM 0 H ALA A 470 -16.588 -40.470 -37.014 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.032 -40.599 -34.680 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.164 -40.125 -33.520 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.949 -39.093 -34.954 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.054 -40.488 -35.018 1.00 25.00 H new ATOM 836 N ALA A 471 -16.787 -43.289 -35.323 1.00 25.00 N ATOM 837 CA ALA A 471 -16.943 -44.687 -34.936 1.00 25.00 C ATOM 838 C ALA A 471 -15.563 -45.360 -34.869 1.00 25.00 C ATOM 839 O ALA A 471 -15.314 -46.197 -34.009 1.00 25.00 O ATOM 840 CB ALA A 471 -17.853 -45.414 -35.929 1.00 25.00 C ATOM 0 H ALA A 471 -17.214 -43.045 -36.217 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.407 -44.738 -33.951 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.961 -46.456 -35.628 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.833 -44.937 -35.941 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.414 -45.368 -36.926 1.00 25.00 H new ATOM 846 N ALA A 472 -14.669 -44.978 -35.771 1.00 25.00 N ATOM 847 CA ALA A 472 -13.304 -45.495 -35.770 1.00 25.00 C ATOM 848 C ALA A 472 -12.473 -44.838 -34.657 1.00 25.00 C ATOM 849 O ALA A 472 -11.625 -45.479 -34.058 1.00 25.00 O ATOM 850 CB ALA A 472 -12.645 -45.262 -37.142 1.00 25.00 C ATOM 0 H ALA A 472 -14.864 -44.309 -36.516 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.343 -46.567 -35.578 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.627 -45.652 -37.128 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.220 -45.775 -37.913 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.621 -44.194 -37.357 1.00 25.00 H new ATOM 856 N GLN A 473 -12.709 -43.561 -34.385 1.00 25.00 N ATOM 857 CA GLN A 473 -11.957 -42.853 -33.349 1.00 25.00 C ATOM 858 C GLN A 473 -12.279 -43.378 -31.958 1.00 25.00 C ATOM 859 O GLN A 473 -11.387 -43.638 -31.159 1.00 25.00 O ATOM 860 CB GLN A 473 -12.250 -41.347 -33.378 1.00 25.00 C ATOM 861 CG GLN A 473 -11.930 -40.642 -34.697 1.00 25.00 C ATOM 862 CD GLN A 473 -10.453 -40.527 -34.993 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.607 -40.805 -34.164 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.143 -40.122 -36.198 1.00 25.00 N ATOM 0 H GLN A 473 -13.410 -42.994 -34.862 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.903 -43.028 -33.564 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.305 -41.195 -33.151 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.680 -40.868 -32.582 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.412 -41.183 -35.512 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.364 -39.643 -34.677 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.880 -39.898 -36.866 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.164 -40.030 -36.469 1.00 25.00 H new ATOM 873 N ARG A 474 -13.560 -43.553 -31.663 1.00 25.00 N ATOM 874 CA ARG A 474 -13.960 -44.091 -30.356 1.00 25.00 C ATOM 875 C ARG A 474 -13.420 -45.508 -30.212 1.00 25.00 C ATOM 876 O ARG A 474 -13.161 -45.975 -29.115 1.00 25.00 O ATOM 877 CB ARG A 474 -15.486 -44.061 -30.171 1.00 25.00 C ATOM 878 CG ARG A 474 -16.269 -44.989 -31.087 1.00 25.00 C ATOM 879 CD ARG A 474 -17.768 -44.742 -31.007 1.00 25.00 C ATOM 880 NE ARG A 474 -18.317 -45.085 -29.684 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.592 -44.964 -29.333 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.507 -44.510 -30.154 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.955 -45.307 -28.127 1.00 25.00 N ATOM 0 H ARG A 474 -14.332 -43.337 -32.293 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.536 -43.460 -29.574 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.715 -44.319 -29.137 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.835 -43.041 -30.330 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -15.934 -44.851 -32.115 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.058 -46.024 -30.820 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -17.974 -43.694 -31.224 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.273 -45.331 -31.772 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.668 -45.443 -28.983 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.250 -44.234 -31.102 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.476 -44.432 -29.845 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.263 -45.663 -27.468 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.931 -45.219 -27.844 1.00 25.00 H new ATOM 897 N LEU A 475 -13.244 -46.177 -31.341 1.00 25.00 N ATOM 898 CA LEU A 475 -12.684 -47.518 -31.370 1.00 25.00 C ATOM 899 C LEU A 475 -11.178 -47.485 -31.082 1.00 25.00 C ATOM 900 O LEU A 475 -10.712 -48.215 -30.218 1.00 25.00 O ATOM 901 CB LEU A 475 -12.978 -48.158 -32.740 1.00 25.00 C ATOM 902 CG LEU A 475 -11.928 -49.094 -33.359 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.803 -50.384 -32.544 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.298 -49.427 -34.794 1.00 25.00 C ATOM 0 H LEU A 475 -13.485 -45.806 -32.260 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.148 -48.122 -30.591 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.908 -48.719 -32.650 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.160 -47.351 -33.449 1.00 25.00 H new ATOM 0 HG LEU A 475 -10.967 -48.579 -33.348 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.054 -51.032 -33.000 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.501 -50.143 -31.525 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.764 -50.897 -32.526 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.545 -50.091 -35.219 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.270 -49.920 -34.814 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.345 -48.509 -35.380 1.00 25.00 H new ATOM 916 N VAL A 476 -10.411 -46.666 -31.793 1.00 25.00 N ATOM 917 CA VAL A 476 -8.958 -46.664 -31.612 1.00 25.00 C ATOM 918 C VAL A 476 -8.625 -46.208 -30.199 1.00 25.00 C ATOM 919 O VAL A 476 -7.725 -46.752 -29.554 1.00 25.00 O ATOM 920 CB VAL A 476 -8.211 -45.830 -32.712 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.535 -44.353 -32.646 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.701 -46.042 -32.622 1.00 25.00 C ATOM 0 H VAL A 476 -10.759 -46.006 -32.488 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.593 -47.683 -31.740 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.569 -46.196 -33.674 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -7.991 -43.826 -33.429 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.606 -44.209 -32.788 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.242 -43.959 -31.673 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.204 -45.454 -33.394 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.347 -45.725 -31.641 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.473 -47.098 -32.767 1.00 25.00 H new ATOM 932 N HIS A 477 -9.371 -45.237 -29.701 1.00 25.00 N ATOM 933 CA HIS A 477 -9.165 -44.760 -28.359 1.00 25.00 C ATOM 934 C HIS A 477 -9.498 -45.854 -27.355 1.00 25.00 C ATOM 935 O HIS A 477 -8.845 -45.962 -26.334 1.00 25.00 O ATOM 936 CB HIS A 477 -10.004 -43.516 -28.086 1.00 25.00 C ATOM 937 CG HIS A 477 -9.571 -42.779 -26.856 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.306 -41.815 -26.213 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.425 -42.889 -26.131 1.00 25.00 C ATOM 940 CE1 HIS A 477 -9.601 -41.397 -25.157 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.451 -42.027 -25.062 1.00 25.00 N ATOM 0 H HIS A 477 -10.121 -44.769 -30.210 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.115 -44.490 -28.251 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -9.943 -42.847 -28.945 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.050 -43.805 -27.981 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.610 -43.559 -26.363 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -9.935 -40.636 -24.467 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -7.733 -41.902 -24.348 1.00 25.00 H new ATOM 949 N ALA A 478 -10.494 -46.686 -27.641 1.00 25.00 N ATOM 950 CA ALA A 478 -10.857 -47.740 -26.706 1.00 25.00 C ATOM 951 C ALA A 478 -9.649 -48.636 -26.448 1.00 25.00 C ATOM 952 O ALA A 478 -9.374 -48.984 -25.312 1.00 25.00 O ATOM 953 CB ALA A 478 -12.031 -48.560 -27.239 1.00 25.00 C ATOM 0 H ALA A 478 -11.053 -46.652 -28.494 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.169 -47.284 -25.766 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.284 -49.342 -26.523 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.893 -47.909 -27.385 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.755 -49.015 -28.190 1.00 25.00 H new ATOM 959 N ILE A 479 -8.923 -48.993 -27.498 1.00 25.00 N ATOM 960 CA ILE A 479 -7.755 -49.860 -27.344 1.00 25.00 C ATOM 961 C ILE A 479 -6.634 -49.099 -26.671 1.00 25.00 C ATOM 962 O ILE A 479 -5.904 -49.657 -25.871 1.00 25.00 O ATOM 963 CB ILE A 479 -7.218 -50.385 -28.694 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.332 -51.054 -29.503 1.00 25.00 C ATOM 965 CG2 ILE A 479 -6.076 -51.407 -28.477 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.428 -50.473 -30.851 1.00 25.00 C ATOM 0 H ILE A 479 -9.116 -48.702 -28.456 1.00 25.00 H new ATOM 0 HA ILE A 479 -8.081 -50.709 -26.744 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.835 -49.526 -29.245 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -8.139 -52.124 -29.578 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.283 -50.937 -28.984 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.716 -51.761 -29.443 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.258 -50.929 -27.938 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.449 -52.251 -27.897 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.227 -50.967 -31.404 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.645 -49.408 -30.773 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.483 -50.614 -31.376 1.00 25.00 H new ATOM 978 N ALA A 480 -6.502 -47.816 -26.978 1.00 25.00 N ATOM 979 CA ALA A 480 -5.447 -47.003 -26.386 1.00 25.00 C ATOM 980 C ALA A 480 -5.609 -47.040 -24.863 1.00 25.00 C ATOM 981 O ALA A 480 -4.631 -47.068 -24.116 1.00 25.00 O ATOM 982 CB ALA A 480 -5.527 -45.567 -26.921 1.00 25.00 C ATOM 0 H ALA A 480 -7.108 -47.317 -27.630 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.466 -47.397 -26.652 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.735 -44.967 -26.473 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.407 -45.575 -28.004 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.496 -45.137 -26.666 1.00 25.00 H new ATOM 988 N LEU A 481 -6.849 -47.073 -24.403 1.00 25.00 N ATOM 989 CA LEU A 481 -7.111 -47.132 -22.964 1.00 25.00 C ATOM 990 C LEU A 481 -6.714 -48.486 -22.437 1.00 25.00 C ATOM 991 O LEU A 481 -6.140 -48.607 -21.372 1.00 25.00 O ATOM 992 CB LEU A 481 -8.578 -46.886 -22.660 1.00 25.00 C ATOM 993 CG LEU A 481 -8.995 -45.495 -23.119 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.498 -45.477 -23.323 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.569 -44.413 -22.142 1.00 25.00 C ATOM 0 H LEU A 481 -7.683 -47.060 -24.991 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.524 -46.352 -22.479 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -9.189 -47.638 -23.159 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.755 -46.990 -21.590 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.489 -45.276 -24.059 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.809 -44.485 -23.652 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.771 -46.212 -24.080 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.996 -45.720 -22.384 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.889 -43.440 -22.514 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -9.027 -44.599 -21.171 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.484 -44.423 -22.039 1.00 25.00 H new ATOM 1007 N MET A 482 -7.008 -49.521 -23.194 1.00 25.00 N ATOM 1008 CA MET A 482 -6.644 -50.870 -22.774 1.00 25.00 C ATOM 1009 C MET A 482 -5.151 -51.050 -22.679 1.00 25.00 C ATOM 1010 O MET A 482 -4.680 -51.918 -21.943 1.00 25.00 O ATOM 1011 CB MET A 482 -7.221 -51.915 -23.721 1.00 25.00 C ATOM 1012 CG MET A 482 -8.684 -51.756 -23.824 1.00 25.00 C ATOM 1013 SD MET A 482 -9.595 -53.229 -24.273 1.00 25.00 S ATOM 1014 CE MET A 482 -9.300 -53.277 -26.040 1.00 25.00 C ATOM 0 H MET A 482 -7.490 -49.464 -24.091 1.00 25.00 H new ATOM 0 HA MET A 482 -7.070 -51.010 -21.780 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.767 -51.814 -24.707 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.981 -52.915 -23.360 1.00 25.00 H new ATOM 0 HG2 MET A 482 -9.060 -51.396 -22.866 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.896 -50.981 -24.561 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.804 -54.142 -26.470 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.687 -52.367 -26.498 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.229 -53.351 -26.228 1.00 25.00 H new ATOM 1024 N THR A 483 -4.400 -50.234 -23.404 1.00 25.00 N ATOM 1025 CA THR A 483 -2.945 -50.375 -23.377 1.00 25.00 C ATOM 1026 C THR A 483 -2.359 -49.661 -22.169 1.00 25.00 C ATOM 1027 O THR A 483 -1.407 -50.150 -21.581 1.00 25.00 O ATOM 1028 CB THR A 483 -2.262 -49.909 -24.688 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.514 -48.525 -24.937 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.763 -50.725 -25.878 1.00 25.00 C ATOM 0 H THR A 483 -4.756 -49.488 -24.002 1.00 25.00 H new ATOM 0 HA THR A 483 -2.737 -51.441 -23.291 1.00 25.00 H new ATOM 0 HB THR A 483 -1.190 -50.061 -24.566 1.00 25.00 H new ATOM 0 HG1 THR A 483 -3.309 -48.243 -24.439 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.271 -50.381 -26.788 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.535 -51.779 -25.718 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.841 -50.598 -25.978 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.934 -48.532 -21.771 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.451 -47.836 -20.576 1.00 25.00 C ATOM 1040 C GLN A 484 -2.967 -48.529 -19.312 1.00 25.00 C ATOM 1041 O GLN A 484 -2.304 -48.508 -18.286 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.828 -46.343 -20.583 1.00 25.00 C ATOM 1043 CG GLN A 484 -4.314 -46.056 -20.656 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.638 -44.584 -20.561 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -5.059 -44.112 -19.523 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.453 -43.863 -21.635 1.00 25.00 N ATOM 0 H GLN A 484 -3.719 -48.084 -22.244 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.362 -47.886 -20.582 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -2.428 -45.879 -19.682 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.339 -45.865 -21.432 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.708 -46.449 -21.593 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.821 -46.586 -19.850 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.098 -44.298 -22.486 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.664 -42.865 -21.622 1.00 25.00 H new ATOM 1055 N PHE A 485 -4.138 -49.159 -19.381 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.670 -49.874 -18.236 1.00 25.00 C ATOM 1057 C PHE A 485 -4.062 -51.264 -18.102 1.00 25.00 C ATOM 1058 O PHE A 485 -4.155 -51.887 -17.052 1.00 25.00 O ATOM 1059 CB PHE A 485 -6.185 -50.010 -18.359 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.945 -48.891 -17.701 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.239 -47.706 -18.401 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.364 -49.017 -16.365 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.949 -46.652 -17.776 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -8.076 -47.968 -15.725 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.368 -46.783 -16.436 1.00 25.00 C ATOM 0 H PHE A 485 -4.728 -49.186 -20.213 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.412 -49.296 -17.348 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.453 -50.049 -19.415 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.494 -50.957 -17.917 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.919 -47.599 -19.427 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -7.142 -49.922 -15.819 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.169 -45.749 -18.325 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.393 -48.076 -14.698 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.909 -45.981 -15.956 1.00 25.00 H new