USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 307 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 Set 1.1: A 549 GLN : amide:sc= -1.33! C(o=-3.1!,f=-4.7!) USER MOD Set 1.2: A 550 GLN : amide:sc= -1.79 K(o=-3.1,f=-7.4!) USER MOD Single : A 548 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 553 GLN :FLIP amide:sc= -1.63 F(o=-4.5!,f=-1.6) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 MET CE :methyl -170:sc= -0.0126 (180deg=-0.2) USER MOD Single : A 561 ASN :FLIP amide:sc= -0.168 F(o=-5.6!,f=-0.17) USER MOD Single : A 565 ASN :FLIP amide:sc= -4.85! C(o=-9.3!,f=-4.8!) USER MOD Single : A 567 GLN :FLIP amide:sc= -0.103 F(o=-1.1,f=-0.1) USER MOD Single : A 572 THR OG1 : rot -90:sc= 1.25 USER MOD Single : A 577 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 146 N ARG A 546 -13.226 8.247 -3.425 1.00 0.00 N ATOM 147 CA ARG A 546 -12.941 6.880 -3.164 1.00 0.00 C ATOM 148 C ARG A 546 -13.378 6.457 -1.789 1.00 0.00 C ATOM 149 O ARG A 546 -12.722 5.646 -1.148 1.00 0.00 O ATOM 150 CB ARG A 546 -11.491 6.610 -3.390 1.00 0.00 C ATOM 151 CG ARG A 546 -11.341 5.556 -4.426 1.00 0.00 C ATOM 152 CD ARG A 546 -11.678 4.183 -3.873 1.00 0.00 C ATOM 153 NE ARG A 546 -10.835 3.807 -2.734 1.00 0.00 N ATOM 154 CZ ARG A 546 -9.500 3.836 -2.737 1.00 0.00 C ATOM 155 NH1 ARG A 546 -8.828 4.304 -3.782 1.00 0.00 N ATOM 156 NH2 ARG A 546 -8.828 3.380 -1.689 1.00 0.00 N ATOM 0 HA ARG A 546 -13.521 6.277 -3.863 1.00 0.00 H new ATOM 0 HB2 ARG A 546 -10.985 7.522 -3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 546 -11.020 6.291 -2.460 1.00 0.00 H new ATOM 0 HG2 ARG A 546 -11.992 5.779 -5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 546 -10.318 5.557 -4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 546 -12.724 4.167 -3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 546 -11.566 3.440 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 546 -11.301 3.502 -1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 546 -9.332 4.649 -4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 546 -7.808 4.319 -3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 546 -9.331 3.008 -0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 546 -7.808 3.401 -1.689 1.00 0.00 H new ATOM 170 N PHE A 547 -14.518 6.966 -1.345 1.00 0.00 N ATOM 171 CA PHE A 547 -15.003 6.582 -0.042 1.00 0.00 C ATOM 172 C PHE A 547 -14.051 7.104 1.038 1.00 0.00 C ATOM 173 O PHE A 547 -13.901 6.503 2.099 1.00 0.00 O ATOM 174 CB PHE A 547 -15.068 5.063 -0.031 1.00 0.00 C ATOM 175 CG PHE A 547 -16.329 4.465 0.488 1.00 0.00 C ATOM 176 CD1 PHE A 547 -16.895 4.979 1.635 1.00 0.00 C ATOM 177 CD2 PHE A 547 -16.975 3.445 -0.187 1.00 0.00 C ATOM 178 CE1 PHE A 547 -18.093 4.482 2.110 1.00 0.00 C ATOM 179 CE2 PHE A 547 -18.176 2.951 0.274 1.00 0.00 C ATOM 180 CZ PHE A 547 -18.604 3.240 1.480 1.00 0.00 C ATOM 0 H PHE A 547 -15.105 7.626 -1.855 1.00 0.00 H new ATOM 0 HA PHE A 547 -15.987 7.003 0.163 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -14.912 4.706 -1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 547 -14.238 4.688 0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -16.398 5.777 2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 547 -16.535 3.032 -1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -18.633 4.975 2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -18.773 2.318 -0.366 1.00 0.00 H new ATOM 0 HZ PHE A 547 -19.303 2.597 1.995 1.00 0.00 H new ATOM 190 N GLN A 548 -13.396 8.220 0.705 1.00 0.00 N ATOM 191 CA GLN A 548 -12.438 8.917 1.561 1.00 0.00 C ATOM 192 C GLN A 548 -11.711 8.013 2.553 1.00 0.00 C ATOM 193 O GLN A 548 -10.578 7.597 2.321 1.00 0.00 O ATOM 194 CB GLN A 548 -13.135 10.068 2.292 1.00 0.00 C ATOM 195 CG GLN A 548 -14.512 9.719 2.836 1.00 0.00 C ATOM 196 CD GLN A 548 -15.232 10.920 3.413 1.00 0.00 C ATOM 197 OE1 GLN A 548 -15.106 11.226 4.598 1.00 0.00 O ATOM 198 NE2 GLN A 548 -15.996 11.609 2.573 1.00 0.00 N ATOM 0 H GLN A 548 -13.524 8.676 -0.198 1.00 0.00 H new ATOM 0 HA GLN A 548 -11.663 9.305 0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 548 -12.503 10.395 3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 548 -13.230 10.912 1.609 1.00 0.00 H new ATOM 0 HG2 GLN A 548 -15.115 9.287 2.037 1.00 0.00 H new ATOM 0 HG3 GLN A 548 -14.411 8.955 3.607 1.00 0.00 H new ATOM 0 HE21 GLN A 548 -16.072 11.319 1.598 1.00 0.00 H new ATOM 0 HE22 GLN A 548 -16.507 12.428 2.903 1.00 0.00 H new ATOM 207 N GLN A 549 -12.365 7.723 3.657 1.00 0.00 N ATOM 208 CA GLN A 549 -11.763 6.900 4.711 1.00 0.00 C ATOM 209 C GLN A 549 -11.694 5.428 4.297 1.00 0.00 C ATOM 210 O GLN A 549 -10.651 4.785 4.411 1.00 0.00 O ATOM 211 CB GLN A 549 -12.532 7.079 6.022 1.00 0.00 C ATOM 212 CG GLN A 549 -13.965 6.584 5.986 1.00 0.00 C ATOM 213 CD GLN A 549 -14.713 6.862 7.277 1.00 0.00 C ATOM 214 OE1 GLN A 549 -15.609 6.110 7.660 1.00 0.00 O ATOM 215 NE2 GLN A 549 -14.350 7.946 7.953 1.00 0.00 N ATOM 0 H GLN A 549 -13.314 8.040 3.858 1.00 0.00 H new ATOM 0 HA GLN A 549 -10.738 7.235 4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -12.000 6.553 6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -12.533 8.137 6.286 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -14.489 7.060 5.157 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -13.970 5.511 5.792 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -13.602 8.541 7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -14.820 8.183 8.827 1.00 0.00 H new ATOM 224 N GLN A 550 -12.819 4.908 3.833 1.00 0.00 N ATOM 225 CA GLN A 550 -12.891 3.543 3.359 1.00 0.00 C ATOM 226 C GLN A 550 -11.741 3.321 2.367 1.00 0.00 C ATOM 227 O GLN A 550 -11.114 2.247 2.308 1.00 0.00 O ATOM 228 CB GLN A 550 -14.240 3.351 2.693 1.00 0.00 C ATOM 229 CG GLN A 550 -15.366 2.863 3.598 1.00 0.00 C ATOM 230 CD GLN A 550 -15.790 3.899 4.617 1.00 0.00 C ATOM 231 OE1 GLN A 550 -15.708 5.100 4.366 1.00 0.00 O ATOM 232 NE2 GLN A 550 -16.264 3.438 5.765 1.00 0.00 N ATOM 0 H GLN A 550 -13.700 5.419 3.776 1.00 0.00 H new ATOM 0 HA GLN A 550 -12.794 2.823 4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 550 -14.542 4.299 2.248 1.00 0.00 H new ATOM 0 HB3 GLN A 550 -14.122 2.639 1.876 1.00 0.00 H new ATOM 0 HG2 GLN A 550 -16.225 2.589 2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 550 -15.044 1.960 4.117 1.00 0.00 H new ATOM 0 HE21 GLN A 550 -16.313 2.433 5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 550 -16.580 4.089 6.484 1.00 0.00 H new ATOM 241 N LEU A 551 -11.467 4.378 1.606 1.00 0.00 N ATOM 242 CA LEU A 551 -10.369 4.398 0.643 1.00 0.00 C ATOM 243 C LEU A 551 -9.047 4.236 1.364 1.00 0.00 C ATOM 244 O LEU A 551 -8.186 3.476 0.941 1.00 0.00 O ATOM 245 CB LEU A 551 -10.357 5.717 -0.147 1.00 0.00 C ATOM 246 CG LEU A 551 -9.091 6.572 -0.031 1.00 0.00 C ATOM 247 CD1 LEU A 551 -7.991 6.064 -0.952 1.00 0.00 C ATOM 248 CD2 LEU A 551 -9.394 8.030 -0.334 1.00 0.00 C ATOM 0 H LEU A 551 -12.001 5.246 1.640 1.00 0.00 H new ATOM 0 HA LEU A 551 -10.513 3.572 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 551 -10.517 5.485 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 551 -11.206 6.318 0.180 1.00 0.00 H new ATOM 0 HG LEU A 551 -8.737 6.493 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 551 -7.107 6.693 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 551 -7.740 5.037 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 551 -8.337 6.098 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 551 -8.480 8.618 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 551 -9.785 8.117 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 551 -10.135 8.402 0.374 1.00 0.00 H new ATOM 260 N GLU A 552 -8.898 4.972 2.457 1.00 0.00 N ATOM 261 CA GLU A 552 -7.678 4.929 3.239 1.00 0.00 C ATOM 262 C GLU A 552 -7.334 3.494 3.604 1.00 0.00 C ATOM 263 O GLU A 552 -6.161 3.145 3.717 1.00 0.00 O ATOM 264 CB GLU A 552 -7.811 5.781 4.505 1.00 0.00 C ATOM 265 CG GLU A 552 -7.870 7.274 4.231 1.00 0.00 C ATOM 266 CD GLU A 552 -6.570 7.816 3.670 1.00 0.00 C ATOM 267 OE1 GLU A 552 -6.408 7.810 2.432 1.00 0.00 O ATOM 268 OE2 GLU A 552 -5.712 8.248 4.471 1.00 0.00 O ATOM 0 H GLU A 552 -9.610 5.606 2.820 1.00 0.00 H new ATOM 0 HA GLU A 552 -6.871 5.341 2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 552 -8.712 5.483 5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 552 -6.967 5.574 5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 552 -8.678 7.479 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 552 -8.110 7.800 5.155 1.00 0.00 H new ATOM 275 N GLN A 553 -8.357 2.664 3.788 1.00 0.00 N ATOM 276 CA GLN A 553 -8.141 1.283 4.139 1.00 0.00 C ATOM 277 C GLN A 553 -7.628 0.454 2.959 1.00 0.00 C ATOM 278 O GLN A 553 -6.508 -0.089 3.016 1.00 0.00 O ATOM 279 CB GLN A 553 -9.450 0.705 4.641 1.00 0.00 C ATOM 280 CG GLN A 553 -10.253 1.648 5.526 1.00 0.00 C ATOM 281 CD GLN A 553 -9.402 2.351 6.566 1.00 0.00 C ATOM 282 OE1 GLN A 553 -8.956 3.559 6.243 1.00 0.00 O flip ATOM 283 NE2 GLN A 553 -9.159 1.821 7.650 1.00 0.00 N flip ATOM 0 H GLN A 553 -9.337 2.932 3.698 1.00 0.00 H new ATOM 0 HA GLN A 553 -7.374 1.243 4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 553 -10.061 0.422 3.784 1.00 0.00 H new ATOM 0 HB3 GLN A 553 -9.240 -0.208 5.199 1.00 0.00 H new ATOM 0 HG2 GLN A 553 -10.744 2.394 4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 553 -11.040 1.085 6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 553 -9.523 0.890 7.856 1.00 0.00 H new ATOM 0 HE22 GLN A 553 -8.594 2.312 8.343 1.00 0.00 H new ATOM 292 N LEU A 554 -8.391 0.364 1.858 1.00 0.00 N ATOM 293 CA LEU A 554 -7.915 -0.420 0.722 1.00 0.00 C ATOM 294 C LEU A 554 -6.639 0.178 0.160 1.00 0.00 C ATOM 295 O LEU A 554 -5.792 -0.537 -0.380 1.00 0.00 O ATOM 296 CB LEU A 554 -8.993 -0.552 -0.371 1.00 0.00 C ATOM 297 CG LEU A 554 -10.002 -1.684 -0.160 1.00 0.00 C ATOM 298 CD1 LEU A 554 -10.851 -1.861 -1.403 1.00 0.00 C ATOM 299 CD2 LEU A 554 -9.302 -2.989 0.194 1.00 0.00 C ATOM 0 H LEU A 554 -9.302 0.806 1.736 1.00 0.00 H new ATOM 0 HA LEU A 554 -7.695 -1.426 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -9.537 0.390 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.498 -0.703 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 554 -10.646 -1.414 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -11.566 -2.668 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -11.389 -0.936 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -10.210 -2.106 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -10.045 -3.773 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -8.628 -3.271 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -8.731 -2.858 1.113 1.00 0.00 H new ATOM 311 N SER A 555 -6.503 1.487 0.291 1.00 0.00 N ATOM 312 CA SER A 555 -5.309 2.167 -0.167 1.00 0.00 C ATOM 313 C SER A 555 -4.160 1.776 0.740 1.00 0.00 C ATOM 314 O SER A 555 -3.029 1.594 0.287 1.00 0.00 O ATOM 315 CB SER A 555 -5.497 3.685 -0.160 1.00 0.00 C ATOM 316 OG SER A 555 -4.328 4.344 -0.619 1.00 0.00 O ATOM 0 H SER A 555 -7.205 2.097 0.710 1.00 0.00 H new ATOM 0 HA SER A 555 -5.098 1.871 -1.195 1.00 0.00 H new ATOM 0 HB2 SER A 555 -6.342 3.953 -0.794 1.00 0.00 H new ATOM 0 HB3 SER A 555 -5.736 4.021 0.849 1.00 0.00 H new ATOM 0 HG SER A 555 -4.473 5.313 -0.607 1.00 0.00 H new ATOM 322 N ALA A 556 -4.458 1.658 2.036 1.00 0.00 N ATOM 323 CA ALA A 556 -3.460 1.264 3.013 1.00 0.00 C ATOM 324 C ALA A 556 -2.816 -0.061 2.645 1.00 0.00 C ATOM 325 O ALA A 556 -1.673 -0.317 3.027 1.00 0.00 O ATOM 326 CB ALA A 556 -4.074 1.180 4.402 1.00 0.00 C ATOM 0 H ALA A 556 -5.385 1.831 2.426 1.00 0.00 H new ATOM 0 HA ALA A 556 -2.683 2.028 3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 556 -3.310 0.883 5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 556 -4.476 2.154 4.682 1.00 0.00 H new ATOM 0 HB3 ALA A 556 -4.877 0.443 4.401 1.00 0.00 H new ATOM 332 N MET A 557 -3.527 -0.915 1.905 1.00 0.00 N ATOM 333 CA MET A 557 -2.949 -2.197 1.495 1.00 0.00 C ATOM 334 C MET A 557 -2.174 -2.031 0.182 1.00 0.00 C ATOM 335 O MET A 557 -1.993 -2.982 -0.579 1.00 0.00 O ATOM 336 CB MET A 557 -4.046 -3.251 1.332 1.00 0.00 C ATOM 337 CG MET A 557 -4.900 -3.439 2.577 1.00 0.00 C ATOM 338 SD MET A 557 -3.918 -3.720 4.063 1.00 0.00 S ATOM 339 CE MET A 557 -3.073 -5.240 3.635 1.00 0.00 C ATOM 0 H MET A 557 -4.481 -0.749 1.584 1.00 0.00 H new ATOM 0 HA MET A 557 -2.260 -2.532 2.271 1.00 0.00 H new ATOM 0 HB2 MET A 557 -4.690 -2.967 0.499 1.00 0.00 H new ATOM 0 HB3 MET A 557 -3.587 -4.204 1.069 1.00 0.00 H new ATOM 0 HG2 MET A 557 -5.524 -2.557 2.721 1.00 0.00 H new ATOM 0 HG3 MET A 557 -5.572 -4.284 2.426 1.00 0.00 H new ATOM 0 HE1 MET A 557 -2.567 -5.636 4.516 1.00 0.00 H new ATOM 0 HE2 MET A 557 -3.798 -5.970 3.274 1.00 0.00 H new ATOM 0 HE3 MET A 557 -2.339 -5.041 2.854 1.00 0.00 H new ATOM 349 N GLY A 558 -1.720 -0.800 -0.045 1.00 0.00 N ATOM 350 CA GLY A 558 -0.960 -0.463 -1.246 1.00 0.00 C ATOM 351 C GLY A 558 -1.548 -1.047 -2.525 1.00 0.00 C ATOM 352 O GLY A 558 -0.819 -1.572 -3.365 1.00 0.00 O ATOM 0 H GLY A 558 -1.867 -0.016 0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 558 -0.910 0.622 -1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 558 0.063 -0.820 -1.130 1.00 0.00 H new ATOM 356 N PHE A 559 -2.866 -0.951 -2.671 1.00 0.00 N ATOM 357 CA PHE A 559 -3.528 -1.476 -3.860 1.00 0.00 C ATOM 358 C PHE A 559 -3.349 -0.591 -5.094 1.00 0.00 C ATOM 359 O PHE A 559 -3.132 -1.112 -6.189 1.00 0.00 O ATOM 360 CB PHE A 559 -4.991 -1.750 -3.587 1.00 0.00 C ATOM 361 CG PHE A 559 -5.228 -3.192 -3.384 1.00 0.00 C ATOM 362 CD1 PHE A 559 -5.266 -4.082 -4.445 1.00 0.00 C ATOM 363 CD2 PHE A 559 -5.405 -3.643 -2.126 1.00 0.00 C ATOM 364 CE1 PHE A 559 -5.483 -5.425 -4.221 1.00 0.00 C ATOM 365 CE2 PHE A 559 -5.625 -4.984 -1.879 1.00 0.00 C ATOM 366 CZ PHE A 559 -5.663 -5.878 -2.931 1.00 0.00 C ATOM 0 H PHE A 559 -3.490 -0.520 -1.989 1.00 0.00 H new ATOM 0 HA PHE A 559 -3.035 -2.419 -4.095 1.00 0.00 H new ATOM 0 HB2 PHE A 559 -5.310 -1.197 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 559 -5.594 -1.392 -4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 559 -5.125 -3.722 -5.453 1.00 0.00 H new ATOM 0 HD2 PHE A 559 -5.374 -2.947 -1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 559 -5.512 -6.117 -5.050 1.00 0.00 H new ATOM 0 HE2 PHE A 559 -5.767 -5.332 -0.867 1.00 0.00 H new ATOM 0 HZ PHE A 559 -5.833 -6.928 -2.744 1.00 0.00 H new ATOM 376 N LEU A 560 -3.452 0.731 -4.940 1.00 0.00 N ATOM 377 CA LEU A 560 -3.270 1.654 -6.062 1.00 0.00 C ATOM 378 C LEU A 560 -4.366 1.515 -7.118 1.00 0.00 C ATOM 379 O LEU A 560 -4.287 2.129 -8.182 1.00 0.00 O ATOM 380 CB LEU A 560 -1.896 1.444 -6.695 1.00 0.00 C ATOM 381 CG LEU A 560 -0.735 2.145 -5.985 1.00 0.00 C ATOM 382 CD1 LEU A 560 0.592 1.726 -6.598 1.00 0.00 C ATOM 383 CD2 LEU A 560 -0.900 3.656 -6.052 1.00 0.00 C ATOM 0 H LEU A 560 -3.660 1.186 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 560 -3.339 2.666 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 560 -1.688 0.374 -6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 560 -1.933 1.792 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 560 -0.742 1.846 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 560 1.407 2.233 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 560 0.715 0.648 -6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 560 0.607 1.997 -7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 560 -0.065 4.136 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 560 -0.920 3.974 -7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 560 -1.834 3.942 -5.568 1.00 0.00 H new ATOM 395 N ASN A 561 -5.386 0.715 -6.825 1.00 0.00 N ATOM 396 CA ASN A 561 -6.495 0.519 -7.756 1.00 0.00 C ATOM 397 C ASN A 561 -7.758 1.201 -7.228 1.00 0.00 C ATOM 398 O ASN A 561 -8.648 0.544 -6.701 1.00 0.00 O ATOM 399 CB ASN A 561 -6.750 -0.978 -7.964 1.00 0.00 C ATOM 400 CG ASN A 561 -7.502 -1.277 -9.249 1.00 0.00 C ATOM 401 OD1 ASN A 561 -8.359 -0.354 -9.673 1.00 0.00 O flip ATOM 402 ND2 ASN A 561 -7.314 -2.331 -9.857 1.00 0.00 N flip ATOM 0 H ASN A 561 -5.469 0.192 -5.953 1.00 0.00 H new ATOM 0 HA ASN A 561 -6.231 0.968 -8.714 1.00 0.00 H new ATOM 0 HB2 ASN A 561 -5.796 -1.506 -7.976 1.00 0.00 H new ATOM 0 HB3 ASN A 561 -7.318 -1.366 -7.118 1.00 0.00 H new ATOM 0 HD21 ASN A 561 -6.647 -3.015 -9.499 1.00 0.00 H new ATOM 0 HD22 ASN A 561 -7.825 -2.521 -10.719 1.00 0.00 H new ATOM 409 N ARG A 562 -7.837 2.518 -7.413 1.00 0.00 N ATOM 410 CA ARG A 562 -8.974 3.305 -6.924 1.00 0.00 C ATOM 411 C ARG A 562 -10.296 2.810 -7.513 1.00 0.00 C ATOM 412 O ARG A 562 -11.352 2.932 -6.891 1.00 0.00 O ATOM 413 CB ARG A 562 -8.787 4.785 -7.273 1.00 0.00 C ATOM 414 CG ARG A 562 -7.341 5.258 -7.228 1.00 0.00 C ATOM 415 CD ARG A 562 -6.762 5.186 -5.824 1.00 0.00 C ATOM 416 NE ARG A 562 -5.344 5.530 -5.801 1.00 0.00 N ATOM 417 CZ ARG A 562 -4.790 6.320 -4.885 1.00 0.00 C ATOM 418 NH1 ARG A 562 -5.534 6.854 -3.927 1.00 0.00 N ATOM 419 NH2 ARG A 562 -3.489 6.576 -4.931 1.00 0.00 N ATOM 0 H ARG A 562 -7.127 3.066 -7.899 1.00 0.00 H new ATOM 0 HA ARG A 562 -9.012 3.184 -5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -9.185 4.965 -8.272 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -9.376 5.387 -6.582 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -6.739 4.647 -7.900 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -7.284 6.284 -7.592 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -7.311 5.864 -5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -6.898 4.180 -5.427 1.00 0.00 H new ATOM 0 HE ARG A 562 -4.743 5.143 -6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -6.535 6.660 -3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -5.106 7.459 -3.226 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -2.915 6.167 -5.668 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -3.063 7.182 -4.229 1.00 0.00 H new ATOM 433 N GLU A 563 -10.220 2.254 -8.713 1.00 0.00 N ATOM 434 CA GLU A 563 -11.406 1.751 -9.400 1.00 0.00 C ATOM 435 C GLU A 563 -12.018 0.571 -8.647 1.00 0.00 C ATOM 436 O GLU A 563 -13.206 0.577 -8.300 1.00 0.00 O ATOM 437 CB GLU A 563 -11.060 1.333 -10.831 1.00 0.00 C ATOM 438 CG GLU A 563 -10.662 2.492 -11.731 1.00 0.00 C ATOM 439 CD GLU A 563 -9.360 3.145 -11.308 1.00 0.00 C ATOM 440 OE1 GLU A 563 -8.287 2.631 -11.689 1.00 0.00 O ATOM 441 OE2 GLU A 563 -9.413 4.171 -10.599 1.00 0.00 O ATOM 0 H GLU A 563 -9.350 2.139 -9.233 1.00 0.00 H new ATOM 0 HA GLU A 563 -12.139 2.557 -9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -10.243 0.612 -10.801 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.919 0.824 -11.268 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -10.567 2.134 -12.756 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -11.456 3.239 -11.726 1.00 0.00 H new ATOM 448 N ALA A 564 -11.185 -0.414 -8.343 1.00 0.00 N ATOM 449 CA ALA A 564 -11.642 -1.607 -7.652 1.00 0.00 C ATOM 450 C ALA A 564 -11.794 -1.328 -6.163 1.00 0.00 C ATOM 451 O ALA A 564 -12.544 -2.001 -5.465 1.00 0.00 O ATOM 452 CB ALA A 564 -10.683 -2.759 -7.898 1.00 0.00 C ATOM 0 H ALA A 564 -10.189 -0.409 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 564 -12.618 -1.891 -8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 564 -11.038 -3.646 -7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 564 -10.629 -2.966 -8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 564 -9.692 -2.493 -7.530 1.00 0.00 H new ATOM 458 N ASN A 565 -11.042 -0.339 -5.691 1.00 0.00 N ATOM 459 CA ASN A 565 -11.085 0.028 -4.278 1.00 0.00 C ATOM 460 C ASN A 565 -12.485 0.474 -3.878 1.00 0.00 C ATOM 461 O ASN A 565 -13.092 -0.109 -2.980 1.00 0.00 O ATOM 462 CB ASN A 565 -10.111 1.153 -3.963 1.00 0.00 C ATOM 463 CG ASN A 565 -8.659 0.756 -4.087 1.00 0.00 C ATOM 464 OD1 ASN A 565 -7.792 1.757 -4.046 1.00 0.00 O flip ATOM 465 ND2 ASN A 565 -8.321 -0.424 -4.199 1.00 0.00 N flip ATOM 0 H ASN A 565 -10.402 0.218 -6.258 1.00 0.00 H new ATOM 0 HA ASN A 565 -10.801 -0.860 -3.713 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -10.308 1.989 -4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -10.296 1.507 -2.949 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -9.030 -1.157 -4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -7.333 -0.667 -4.265 1.00 0.00 H new ATOM 472 N LEU A 566 -13.008 1.504 -4.548 1.00 0.00 N ATOM 473 CA LEU A 566 -14.322 1.980 -4.275 1.00 0.00 C ATOM 474 C LEU A 566 -15.330 0.903 -4.605 1.00 0.00 C ATOM 475 O LEU A 566 -16.388 0.810 -3.982 1.00 0.00 O ATOM 476 CB LEU A 566 -14.604 3.232 -5.096 1.00 0.00 C ATOM 477 CG LEU A 566 -15.897 3.866 -4.727 1.00 0.00 C ATOM 478 CD1 LEU A 566 -15.685 5.057 -3.808 1.00 0.00 C ATOM 479 CD2 LEU A 566 -16.704 4.244 -5.960 1.00 0.00 C ATOM 0 H LEU A 566 -12.519 2.013 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 566 -14.401 2.231 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -13.796 3.949 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -14.617 2.975 -6.155 1.00 0.00 H new ATOM 0 HG LEU A 566 -16.480 3.129 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -16.649 5.499 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -15.187 4.729 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -15.066 5.800 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -17.643 4.705 -5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -16.135 4.949 -6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -16.914 3.349 -6.546 1.00 0.00 H new ATOM 491 N GLN A 567 -14.995 0.083 -5.594 1.00 0.00 N ATOM 492 CA GLN A 567 -15.881 -0.990 -5.993 1.00 0.00 C ATOM 493 C GLN A 567 -15.949 -2.076 -4.932 1.00 0.00 C ATOM 494 O GLN A 567 -16.982 -2.704 -4.764 1.00 0.00 O ATOM 495 CB GLN A 567 -15.452 -1.576 -7.341 1.00 0.00 C ATOM 496 CG GLN A 567 -16.311 -2.745 -7.805 1.00 0.00 C ATOM 497 CD GLN A 567 -17.786 -2.397 -7.905 1.00 0.00 C ATOM 498 OE1 GLN A 567 -18.085 -1.145 -8.233 1.00 0.00 O flip ATOM 499 NE2 GLN A 567 -18.648 -3.250 -7.694 1.00 0.00 N flip ATOM 0 H GLN A 567 -14.126 0.143 -6.125 1.00 0.00 H new ATOM 0 HA GLN A 567 -16.881 -0.570 -6.103 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -15.486 -0.790 -8.096 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -14.415 -1.905 -7.270 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -15.957 -3.084 -8.778 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -16.186 -3.577 -7.112 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -18.375 -4.200 -7.444 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -19.636 -3.006 -7.769 1.00 0.00 H new ATOM 508 N ALA A 568 -14.857 -2.287 -4.212 1.00 0.00 N ATOM 509 CA ALA A 568 -14.825 -3.303 -3.170 1.00 0.00 C ATOM 510 C ALA A 568 -15.541 -2.814 -1.916 1.00 0.00 C ATOM 511 O ALA A 568 -16.265 -3.572 -1.264 1.00 0.00 O ATOM 512 CB ALA A 568 -13.391 -3.693 -2.858 1.00 0.00 C ATOM 0 H ALA A 568 -13.985 -1.771 -4.329 1.00 0.00 H new ATOM 0 HA ALA A 568 -15.350 -4.187 -3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 568 -13.382 -4.453 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 568 -12.918 -4.090 -3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 568 -12.842 -2.816 -2.516 1.00 0.00 H new ATOM 518 N LEU A 569 -15.359 -1.533 -1.597 1.00 0.00 N ATOM 519 CA LEU A 569 -15.978 -0.952 -0.448 1.00 0.00 C ATOM 520 C LEU A 569 -17.493 -0.965 -0.603 1.00 0.00 C ATOM 521 O LEU A 569 -18.217 -1.388 0.296 1.00 0.00 O ATOM 522 CB LEU A 569 -15.451 0.453 -0.332 1.00 0.00 C ATOM 523 CG LEU A 569 -14.242 0.617 0.576 1.00 0.00 C ATOM 524 CD1 LEU A 569 -14.589 0.205 1.999 1.00 0.00 C ATOM 525 CD2 LEU A 569 -13.078 -0.206 0.075 1.00 0.00 C ATOM 0 H LEU A 569 -14.780 -0.889 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 569 -15.748 -1.517 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 569 -15.188 0.809 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 569 -16.251 1.095 0.035 1.00 0.00 H new ATOM 0 HG LEU A 569 -13.954 1.668 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 569 -13.714 0.328 2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 569 -15.400 0.831 2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 569 -14.902 -0.839 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 569 -12.225 -0.073 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 569 -13.360 -1.259 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 569 -12.809 0.119 -0.930 1.00 0.00 H new ATOM 537 N ILE A 570 -17.960 -0.491 -1.749 1.00 0.00 N ATOM 538 CA ILE A 570 -19.386 -0.462 -2.040 1.00 0.00 C ATOM 539 C ILE A 570 -19.937 -1.874 -2.258 1.00 0.00 C ATOM 540 O ILE A 570 -21.039 -2.192 -1.812 1.00 0.00 O ATOM 541 CB ILE A 570 -19.689 0.395 -3.285 1.00 0.00 C ATOM 542 CG1 ILE A 570 -19.199 1.823 -3.075 1.00 0.00 C ATOM 543 CG2 ILE A 570 -21.181 0.380 -3.596 1.00 0.00 C ATOM 544 CD1 ILE A 570 -19.298 2.691 -4.311 1.00 0.00 C ATOM 0 H ILE A 570 -17.370 -0.120 -2.494 1.00 0.00 H new ATOM 0 HA ILE A 570 -19.875 -0.016 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 570 -19.159 -0.031 -4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 570 -19.778 2.282 -2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 570 -18.161 1.796 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 570 -21.375 0.990 -4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 570 -21.503 -0.644 -3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 570 -21.734 0.783 -2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 570 -18.931 3.692 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 570 -18.696 2.257 -5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 570 -20.338 2.750 -4.632 1.00 0.00 H new ATOM 556 N ALA A 571 -19.161 -2.718 -2.943 1.00 0.00 N ATOM 557 CA ALA A 571 -19.587 -4.088 -3.228 1.00 0.00 C ATOM 558 C ALA A 571 -19.666 -4.952 -1.976 1.00 0.00 C ATOM 559 O ALA A 571 -20.274 -6.023 -2.010 1.00 0.00 O ATOM 560 CB ALA A 571 -18.668 -4.747 -4.245 1.00 0.00 C ATOM 0 H ALA A 571 -18.240 -2.477 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 571 -20.592 -4.012 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 571 -19.009 -5.764 -4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 571 -18.685 -4.177 -5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 571 -17.651 -4.773 -3.853 1.00 0.00 H new ATOM 566 N THR A 572 -19.069 -4.510 -0.871 1.00 0.00 N ATOM 567 CA THR A 572 -19.128 -5.301 0.346 1.00 0.00 C ATOM 568 C THR A 572 -20.052 -4.640 1.363 1.00 0.00 C ATOM 569 O THR A 572 -20.824 -5.317 2.045 1.00 0.00 O ATOM 570 CB THR A 572 -17.730 -5.472 0.962 1.00 0.00 C ATOM 571 OG1 THR A 572 -17.130 -4.192 1.189 1.00 0.00 O ATOM 572 CG2 THR A 572 -16.839 -6.303 0.052 1.00 0.00 C ATOM 0 H THR A 572 -18.554 -3.633 -0.797 1.00 0.00 H new ATOM 0 HA THR A 572 -19.518 -6.285 0.085 1.00 0.00 H new ATOM 0 HB THR A 572 -17.838 -5.992 1.914 1.00 0.00 H new ATOM 0 HG1 THR A 572 -16.628 -3.920 0.392 1.00 0.00 H new ATOM 0 HG21 THR A 572 -15.855 -6.412 0.507 1.00 0.00 H new ATOM 0 HG22 THR A 572 -17.283 -7.288 -0.091 1.00 0.00 H new ATOM 0 HG23 THR A 572 -16.740 -5.806 -0.913 1.00 0.00 H new ATOM 580 N GLY A 573 -19.967 -3.315 1.462 1.00 0.00 N ATOM 581 CA GLY A 573 -20.855 -2.587 2.349 1.00 0.00 C ATOM 582 C GLY A 573 -20.242 -2.338 3.714 1.00 0.00 C ATOM 583 O GLY A 573 -20.912 -2.494 4.736 1.00 0.00 O ATOM 0 H GLY A 573 -19.303 -2.737 0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -21.116 -1.632 1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -21.782 -3.147 2.468 1.00 0.00 H new ATOM 587 N GLY A 574 -18.968 -1.942 3.741 1.00 0.00 N ATOM 588 CA GLY A 574 -18.306 -1.684 5.009 1.00 0.00 C ATOM 589 C GLY A 574 -17.238 -2.713 5.319 1.00 0.00 C ATOM 590 O GLY A 574 -16.227 -2.400 5.945 1.00 0.00 O ATOM 0 H GLY A 574 -18.389 -1.797 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 574 -17.856 -0.692 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 574 -19.046 -1.680 5.809 1.00 0.00 H new ATOM 594 N ASP A 575 -17.473 -3.948 4.893 1.00 0.00 N ATOM 595 CA ASP A 575 -16.523 -5.027 5.096 1.00 0.00 C ATOM 596 C ASP A 575 -15.349 -4.817 4.158 1.00 0.00 C ATOM 597 O ASP A 575 -15.320 -5.335 3.042 1.00 0.00 O ATOM 598 CB ASP A 575 -17.195 -6.374 4.840 1.00 0.00 C ATOM 599 CG ASP A 575 -18.101 -6.795 5.980 1.00 0.00 C ATOM 600 OD1 ASP A 575 -17.598 -7.413 6.941 1.00 0.00 O ATOM 601 OD2 ASP A 575 -19.315 -6.508 5.911 1.00 0.00 O ATOM 0 H ASP A 575 -18.322 -4.225 4.401 1.00 0.00 H new ATOM 0 HA ASP A 575 -16.166 -5.026 6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -17.776 -6.318 3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -16.430 -7.135 4.688 1.00 0.00 H new ATOM 606 N ILE A 576 -14.381 -4.049 4.632 1.00 0.00 N ATOM 607 CA ILE A 576 -13.222 -3.695 3.837 1.00 0.00 C ATOM 608 C ILE A 576 -12.233 -4.834 3.766 1.00 0.00 C ATOM 609 O ILE A 576 -11.528 -4.977 2.780 1.00 0.00 O ATOM 610 CB ILE A 576 -12.544 -2.435 4.397 1.00 0.00 C ATOM 611 CG1 ILE A 576 -13.606 -1.545 5.065 1.00 0.00 C ATOM 612 CG2 ILE A 576 -11.809 -1.701 3.282 1.00 0.00 C ATOM 613 CD1 ILE A 576 -13.204 -0.092 5.225 1.00 0.00 C ATOM 0 H ILE A 576 -14.378 -3.657 5.574 1.00 0.00 H new ATOM 0 HA ILE A 576 -13.569 -3.486 2.825 1.00 0.00 H new ATOM 0 HB ILE A 576 -11.805 -2.708 5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 576 -14.522 -1.592 4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 576 -13.837 -1.954 6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 576 -11.331 -0.809 3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 576 -11.051 -2.356 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 576 -12.519 -1.412 2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 576 -14.013 0.459 5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 576 -12.307 -0.028 5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 576 -13.002 0.340 4.245 1.00 0.00 H new ATOM 625 N ASN A 577 -12.250 -5.674 4.791 1.00 0.00 N ATOM 626 CA ASN A 577 -11.369 -6.824 4.883 1.00 0.00 C ATOM 627 C ASN A 577 -11.780 -7.833 3.824 1.00 0.00 C ATOM 628 O ASN A 577 -10.972 -8.287 3.010 1.00 0.00 O ATOM 629 CB ASN A 577 -11.491 -7.429 6.278 1.00 0.00 C ATOM 630 CG ASN A 577 -10.596 -6.744 7.292 1.00 0.00 C ATOM 631 OD1 ASN A 577 -10.390 -5.444 7.118 1.00 0.00 O flip ATOM 632 ND2 ASN A 577 -10.102 -7.375 8.227 1.00 0.00 N flip ATOM 0 H ASN A 577 -12.881 -5.574 5.586 1.00 0.00 H new ATOM 0 HA ASN A 577 -10.332 -6.533 4.716 1.00 0.00 H new ATOM 0 HB2 ASN A 577 -12.527 -7.362 6.610 1.00 0.00 H new ATOM 0 HB3 ASN A 577 -11.239 -8.488 6.234 1.00 0.00 H new ATOM 0 HD21 ASN A 577 -10.287 -8.374 8.322 1.00 0.00 H new ATOM 0 HD22 ASN A 577 -9.508 -6.899 8.906 1.00 0.00 H new ATOM 639 N ALA A 578 -13.061 -8.172 3.863 1.00 0.00 N ATOM 640 CA ALA A 578 -13.645 -9.074 2.887 1.00 0.00 C ATOM 641 C ALA A 578 -13.435 -8.465 1.508 1.00 0.00 C ATOM 642 O ALA A 578 -13.288 -9.164 0.501 1.00 0.00 O ATOM 643 CB ALA A 578 -15.125 -9.291 3.167 1.00 0.00 C ATOM 0 H ALA A 578 -13.717 -7.832 4.566 1.00 0.00 H new ATOM 0 HA ALA A 578 -13.165 -10.051 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 578 -15.540 -9.970 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 578 -15.248 -9.722 4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 578 -15.648 -8.336 3.119 1.00 0.00 H new ATOM 649 N ALA A 579 -13.397 -7.133 1.501 1.00 0.00 N ATOM 650 CA ALA A 579 -13.199 -6.366 0.286 1.00 0.00 C ATOM 651 C ALA A 579 -11.745 -6.432 -0.169 1.00 0.00 C ATOM 652 O ALA A 579 -11.463 -6.315 -1.357 1.00 0.00 O ATOM 653 CB ALA A 579 -13.624 -4.922 0.503 1.00 0.00 C ATOM 0 H ALA A 579 -13.503 -6.562 2.340 1.00 0.00 H new ATOM 0 HA ALA A 579 -13.818 -6.800 -0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 579 -13.471 -4.356 -0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 579 -14.678 -4.890 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 579 -13.028 -4.484 1.303 1.00 0.00 H new ATOM 659 N ILE A 580 -10.822 -6.629 0.779 1.00 0.00 N ATOM 660 CA ILE A 580 -9.409 -6.709 0.465 1.00 0.00 C ATOM 661 C ILE A 580 -9.102 -7.988 -0.299 1.00 0.00 C ATOM 662 O ILE A 580 -8.355 -7.980 -1.278 1.00 0.00 O ATOM 663 CB ILE A 580 -8.565 -6.705 1.750 1.00 0.00 C ATOM 664 CG1 ILE A 580 -9.016 -5.576 2.687 1.00 0.00 C ATOM 665 CG2 ILE A 580 -7.083 -6.595 1.410 1.00 0.00 C ATOM 666 CD1 ILE A 580 -7.952 -5.089 3.653 1.00 0.00 C ATOM 0 H ILE A 580 -11.039 -6.735 1.770 1.00 0.00 H new ATOM 0 HA ILE A 580 -9.161 -5.841 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 580 -8.716 -7.648 2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -9.351 -4.733 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -9.877 -5.920 3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -6.498 -6.593 2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -6.787 -7.444 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -6.903 -5.669 0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -8.361 -4.292 4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -7.631 -5.915 4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -7.098 -4.710 3.092 1.00 0.00 H new ATOM 678 N GLU A 581 -9.692 -9.087 0.163 1.00 0.00 N ATOM 679 CA GLU A 581 -9.479 -10.398 -0.443 1.00 0.00 C ATOM 680 C GLU A 581 -10.122 -10.479 -1.823 1.00 0.00 C ATOM 681 O GLU A 581 -9.573 -11.084 -2.744 1.00 0.00 O ATOM 682 CB GLU A 581 -10.042 -11.494 0.465 1.00 0.00 C ATOM 683 CG GLU A 581 -9.814 -12.901 -0.062 1.00 0.00 C ATOM 684 CD GLU A 581 -10.406 -13.963 0.842 1.00 0.00 C ATOM 685 OE1 GLU A 581 -11.604 -14.283 0.680 1.00 0.00 O ATOM 686 OE2 GLU A 581 -9.674 -14.477 1.714 1.00 0.00 O ATOM 0 H GLU A 581 -10.326 -9.095 0.962 1.00 0.00 H new ATOM 0 HA GLU A 581 -8.406 -10.546 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -9.586 -11.407 1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -11.112 -11.333 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -10.253 -12.989 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -8.744 -13.076 -0.170 1.00 0.00 H new ATOM 693 N ARG A 582 -11.292 -9.864 -1.951 1.00 0.00 N ATOM 694 CA ARG A 582 -12.022 -9.876 -3.214 1.00 0.00 C ATOM 695 C ARG A 582 -11.377 -8.920 -4.213 1.00 0.00 C ATOM 696 O ARG A 582 -11.400 -9.154 -5.421 1.00 0.00 O ATOM 697 CB ARG A 582 -13.485 -9.481 -2.994 1.00 0.00 C ATOM 698 CG ARG A 582 -13.707 -7.981 -3.003 1.00 0.00 C ATOM 699 CD ARG A 582 -14.636 -7.563 -4.130 1.00 0.00 C ATOM 700 NE ARG A 582 -15.958 -8.172 -4.006 1.00 0.00 N ATOM 701 CZ ARG A 582 -16.887 -8.119 -4.956 1.00 0.00 C ATOM 702 NH1 ARG A 582 -16.642 -7.489 -6.097 1.00 0.00 N ATOM 703 NH2 ARG A 582 -18.063 -8.700 -4.765 1.00 0.00 N ATOM 0 H ARG A 582 -11.754 -9.353 -1.199 1.00 0.00 H new ATOM 0 HA ARG A 582 -11.985 -10.888 -3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 582 -14.098 -9.937 -3.771 1.00 0.00 H new ATOM 0 HB3 ARG A 582 -13.825 -9.886 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 582 -14.129 -7.669 -2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 582 -12.750 -7.471 -3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 582 -14.736 -6.478 -4.133 1.00 0.00 H new ATOM 0 HD3 ARG A 582 -14.195 -7.845 -5.086 1.00 0.00 H new ATOM 0 HE ARG A 582 -16.181 -8.666 -3.142 1.00 0.00 H new ATOM 0 HH11 ARG A 582 -15.738 -7.042 -6.249 1.00 0.00 H new ATOM 0 HH12 ARG A 582 -17.358 -7.451 -6.823 1.00 0.00 H new ATOM 0 HH21 ARG A 582 -18.255 -9.187 -3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 582 -18.776 -8.660 -5.493 1.00 0.00 H new ATOM 717 N LEU A 583 -10.802 -7.838 -3.690 1.00 0.00 N ATOM 718 CA LEU A 583 -10.176 -6.832 -4.487 1.00 0.00 C ATOM 719 C LEU A 583 -8.870 -7.338 -5.063 1.00 0.00 C ATOM 720 O LEU A 583 -8.474 -6.958 -6.166 1.00 0.00 O ATOM 721 CB LEU A 583 -9.927 -5.631 -3.597 1.00 0.00 C ATOM 722 CG LEU A 583 -8.813 -4.730 -4.071 1.00 0.00 C ATOM 723 CD1 LEU A 583 -9.114 -4.151 -5.443 1.00 0.00 C ATOM 724 CD2 LEU A 583 -8.552 -3.624 -3.075 1.00 0.00 C ATOM 0 H LEU A 583 -10.767 -7.651 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 583 -10.820 -6.563 -5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 583 -10.845 -5.048 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 583 -9.694 -5.980 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 583 -7.912 -5.339 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 583 -8.292 -3.507 -5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 583 -9.232 -4.962 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 583 -10.034 -3.568 -5.398 1.00 0.00 H new ATOM 0 HD21 LEU A 583 -7.745 -2.989 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 583 -9.455 -3.027 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 583 -8.267 -4.057 -2.116 1.00 0.00 H new ATOM 736 N LEU A 584 -8.210 -8.207 -4.321 1.00 0.00 N ATOM 737 CA LEU A 584 -6.980 -8.760 -4.727 1.00 0.00 C ATOM 738 C LEU A 584 -7.285 -9.863 -5.735 1.00 0.00 C ATOM 739 O LEU A 584 -6.412 -10.335 -6.463 1.00 0.00 O ATOM 740 CB LEU A 584 -6.323 -9.256 -3.447 1.00 0.00 C ATOM 741 CG LEU A 584 -6.192 -10.766 -3.309 1.00 0.00 C ATOM 742 CD1 LEU A 584 -5.011 -11.296 -4.110 1.00 0.00 C ATOM 743 CD2 LEU A 584 -6.056 -11.152 -1.845 1.00 0.00 C ATOM 0 H LEU A 584 -8.536 -8.538 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 584 -6.301 -8.066 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 584 -5.328 -8.817 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 584 -6.896 -8.881 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 584 -7.098 -11.219 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 584 -4.946 -12.377 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 584 -5.149 -11.056 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 584 -4.091 -10.835 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 584 -5.963 -12.235 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 584 -5.169 -10.678 -1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 584 -6.938 -10.820 -1.298 1.00 0.00 H new