USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=5 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 Single : A 548 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 549 GLN : amide:sc= -0.0391 X(o=-0.039,f=-0.045) USER MOD Single : A 550 GLN : amide:sc= -0.163 K(o=-0.16,f=-5.7!) USER MOD Single : A 553 GLN :FLIP amide:sc= -2.51! C(o=-4.6!,f=-2.5!) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 MET CE :methyl 151:sc= -0.211 (180deg=-0.981) USER MOD Single : A 561 ASN : amide:sc= -0.467 K(o=-0.47,f=-5.7!) USER MOD Single : A 565 ASN : amide:sc= -2.35 K(o=-2.3,f=-5.8!) USER MOD Single : A 567 GLN :FLIP amide:sc= -0.175 F(o=-3.4!,f=-0.18) USER MOD Single : A 572 THR OG1 : rot -73:sc= 0.347 USER MOD Single : A 577 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 146 N ARG A 546 -13.776 8.253 -4.066 1.00 0.00 N ATOM 147 CA ARG A 546 -13.544 6.830 -3.891 1.00 0.00 C ATOM 148 C ARG A 546 -13.683 6.423 -2.440 1.00 0.00 C ATOM 149 O ARG A 546 -12.825 5.764 -1.871 1.00 0.00 O ATOM 150 CB ARG A 546 -12.220 6.396 -4.519 1.00 0.00 C ATOM 151 CG ARG A 546 -11.023 7.090 -3.951 1.00 0.00 C ATOM 152 CD ARG A 546 -10.086 7.585 -5.034 1.00 0.00 C ATOM 153 NE ARG A 546 -9.082 8.508 -4.507 1.00 0.00 N ATOM 154 CZ ARG A 546 -8.536 9.490 -5.216 1.00 0.00 C ATOM 155 NH1 ARG A 546 -8.890 9.679 -6.480 1.00 0.00 N ATOM 156 NH2 ARG A 546 -7.634 10.287 -4.660 1.00 0.00 N ATOM 0 HA ARG A 546 -14.321 6.290 -4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 546 -12.101 5.321 -4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 546 -12.260 6.582 -5.592 1.00 0.00 H new ATOM 0 HG2 ARG A 546 -11.348 7.932 -3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 546 -10.487 6.407 -3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 546 -9.588 6.735 -5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 546 -10.663 8.083 -5.813 1.00 0.00 H new ATOM 0 HE ARG A 546 -8.783 8.391 -3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 546 -9.584 9.069 -6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 546 -8.468 10.434 -7.020 1.00 0.00 H new ATOM 0 HH21 ARG A 546 -7.359 10.146 -3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 546 -7.215 11.041 -5.204 1.00 0.00 H new ATOM 170 N PHE A 547 -14.812 6.806 -1.854 1.00 0.00 N ATOM 171 CA PHE A 547 -15.100 6.473 -0.472 1.00 0.00 C ATOM 172 C PHE A 547 -14.043 7.061 0.467 1.00 0.00 C ATOM 173 O PHE A 547 -13.862 6.580 1.581 1.00 0.00 O ATOM 174 CB PHE A 547 -15.156 4.957 -0.347 1.00 0.00 C ATOM 175 CG PHE A 547 -16.374 4.412 0.354 1.00 0.00 C ATOM 176 CD1 PHE A 547 -16.941 5.048 1.452 1.00 0.00 C ATOM 177 CD2 PHE A 547 -16.933 3.234 -0.088 1.00 0.00 C ATOM 178 CE1 PHE A 547 -18.047 4.506 2.082 1.00 0.00 C ATOM 179 CE2 PHE A 547 -18.030 2.686 0.535 1.00 0.00 C ATOM 180 CZ PHE A 547 -18.590 3.320 1.622 1.00 0.00 C ATOM 0 H PHE A 547 -15.541 7.348 -2.319 1.00 0.00 H new ATOM 0 HA PHE A 547 -16.059 6.903 -0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -15.109 4.525 -1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 547 -14.268 4.620 0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -16.515 5.971 1.816 1.00 0.00 H new ATOM 0 HD2 PHE A 547 -16.502 2.730 -0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -18.486 5.008 2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -18.452 1.760 0.172 1.00 0.00 H new ATOM 0 HZ PHE A 547 -19.451 2.892 2.114 1.00 0.00 H new ATOM 190 N GLN A 548 -13.311 8.054 -0.049 1.00 0.00 N ATOM 191 CA GLN A 548 -12.277 8.793 0.679 1.00 0.00 C ATOM 192 C GLN A 548 -11.598 7.995 1.789 1.00 0.00 C ATOM 193 O GLN A 548 -10.464 7.539 1.640 1.00 0.00 O ATOM 194 CB GLN A 548 -12.867 10.092 1.235 1.00 0.00 C ATOM 195 CG GLN A 548 -14.243 9.936 1.866 1.00 0.00 C ATOM 196 CD GLN A 548 -14.825 11.255 2.338 1.00 0.00 C ATOM 197 OE1 GLN A 548 -14.536 12.311 1.776 1.00 0.00 O ATOM 198 NE2 GLN A 548 -15.649 11.198 3.377 1.00 0.00 N ATOM 0 H GLN A 548 -13.425 8.374 -1.011 1.00 0.00 H new ATOM 0 HA GLN A 548 -11.490 9.011 -0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 548 -12.183 10.498 1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 548 -12.931 10.823 0.429 1.00 0.00 H new ATOM 0 HG2 GLN A 548 -14.921 9.483 1.142 1.00 0.00 H new ATOM 0 HG3 GLN A 548 -14.175 9.251 2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 548 -15.860 10.300 3.812 1.00 0.00 H new ATOM 0 HE22 GLN A 548 -16.071 12.052 3.741 1.00 0.00 H new ATOM 207 N GLN A 549 -12.295 7.838 2.898 1.00 0.00 N ATOM 208 CA GLN A 549 -11.746 7.126 4.058 1.00 0.00 C ATOM 209 C GLN A 549 -11.672 5.628 3.791 1.00 0.00 C ATOM 210 O GLN A 549 -10.641 4.986 3.999 1.00 0.00 O ATOM 211 CB GLN A 549 -12.601 7.394 5.298 1.00 0.00 C ATOM 212 CG GLN A 549 -12.765 8.870 5.623 1.00 0.00 C ATOM 213 CD GLN A 549 -11.439 9.568 5.857 1.00 0.00 C ATOM 214 OE1 GLN A 549 -10.831 10.100 4.929 1.00 0.00 O ATOM 215 NE2 GLN A 549 -10.982 9.568 7.105 1.00 0.00 N ATOM 0 H GLN A 549 -13.243 8.190 3.030 1.00 0.00 H new ATOM 0 HA GLN A 549 -10.736 7.495 4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -13.587 6.952 5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -12.151 6.891 6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -13.291 9.362 4.805 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -13.388 8.975 6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -11.519 9.115 7.845 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -10.095 10.021 7.323 1.00 0.00 H new ATOM 224 N GLN A 550 -12.785 5.079 3.345 1.00 0.00 N ATOM 225 CA GLN A 550 -12.860 3.678 3.017 1.00 0.00 C ATOM 226 C GLN A 550 -11.745 3.350 2.026 1.00 0.00 C ATOM 227 O GLN A 550 -11.074 2.312 2.130 1.00 0.00 O ATOM 228 CB GLN A 550 -14.228 3.394 2.442 1.00 0.00 C ATOM 229 CG GLN A 550 -15.294 3.055 3.472 1.00 0.00 C ATOM 230 CD GLN A 550 -15.594 4.217 4.400 1.00 0.00 C ATOM 231 OE1 GLN A 550 -15.367 5.377 4.059 1.00 0.00 O ATOM 232 NE2 GLN A 550 -16.133 3.911 5.569 1.00 0.00 N ATOM 0 H GLN A 550 -13.655 5.592 3.202 1.00 0.00 H new ATOM 0 HA GLN A 550 -12.724 3.052 3.899 1.00 0.00 H new ATOM 0 HB2 GLN A 550 -14.556 4.264 1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 550 -14.146 2.566 1.738 1.00 0.00 H new ATOM 0 HG2 GLN A 550 -16.209 2.758 2.959 1.00 0.00 H new ATOM 0 HG3 GLN A 550 -14.966 2.199 4.061 1.00 0.00 H new ATOM 0 HE21 GLN A 550 -16.304 2.935 5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 550 -16.377 4.651 6.227 1.00 0.00 H new ATOM 241 N LEU A 551 -11.553 4.250 1.055 1.00 0.00 N ATOM 242 CA LEU A 551 -10.468 4.105 0.089 1.00 0.00 C ATOM 243 C LEU A 551 -9.144 4.006 0.833 1.00 0.00 C ATOM 244 O LEU A 551 -8.267 3.224 0.477 1.00 0.00 O ATOM 245 CB LEU A 551 -10.425 5.313 -0.857 1.00 0.00 C ATOM 246 CG LEU A 551 -9.134 6.138 -0.815 1.00 0.00 C ATOM 247 CD1 LEU A 551 -8.077 5.537 -1.729 1.00 0.00 C ATOM 248 CD2 LEU A 551 -9.401 7.589 -1.185 1.00 0.00 C ATOM 0 H LEU A 551 -12.132 5.079 0.921 1.00 0.00 H new ATOM 0 HA LEU A 551 -10.638 3.202 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 551 -10.577 4.959 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 551 -11.263 5.969 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 551 -8.755 6.114 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 551 -7.170 6.140 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 551 -7.854 4.520 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 551 -8.449 5.520 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 551 -8.468 8.152 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 551 -9.813 7.638 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 551 -10.113 8.019 -0.481 1.00 0.00 H new ATOM 260 N GLU A 552 -9.025 4.832 1.871 1.00 0.00 N ATOM 261 CA GLU A 552 -7.819 4.881 2.678 1.00 0.00 C ATOM 262 C GLU A 552 -7.485 3.501 3.217 1.00 0.00 C ATOM 263 O GLU A 552 -6.314 3.166 3.394 1.00 0.00 O ATOM 264 CB GLU A 552 -7.979 5.877 3.828 1.00 0.00 C ATOM 265 CG GLU A 552 -6.665 6.482 4.288 1.00 0.00 C ATOM 266 CD GLU A 552 -6.854 7.534 5.363 1.00 0.00 C ATOM 267 OE1 GLU A 552 -7.148 8.696 5.014 1.00 0.00 O ATOM 268 OE2 GLU A 552 -6.707 7.196 6.557 1.00 0.00 O ATOM 0 H GLU A 552 -9.756 5.477 2.170 1.00 0.00 H new ATOM 0 HA GLU A 552 -6.997 5.216 2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 552 -8.649 6.678 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 552 -8.454 5.375 4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 552 -6.018 5.691 4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 552 -6.155 6.928 3.434 1.00 0.00 H new ATOM 275 N GLN A 553 -8.516 2.701 3.487 1.00 0.00 N ATOM 276 CA GLN A 553 -8.298 1.365 3.990 1.00 0.00 C ATOM 277 C GLN A 553 -7.798 0.431 2.887 1.00 0.00 C ATOM 278 O GLN A 553 -6.711 -0.152 3.027 1.00 0.00 O ATOM 279 CB GLN A 553 -9.585 0.842 4.606 1.00 0.00 C ATOM 280 CG GLN A 553 -9.666 1.055 6.109 1.00 0.00 C ATOM 281 CD GLN A 553 -10.776 2.005 6.519 1.00 0.00 C ATOM 282 OE1 GLN A 553 -11.094 2.962 5.652 1.00 0.00 O flip ATOM 283 NE2 GLN A 553 -11.342 1.884 7.604 1.00 0.00 N flip ATOM 0 H GLN A 553 -9.495 2.959 3.365 1.00 0.00 H new ATOM 0 HA GLN A 553 -7.524 1.399 4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 553 -10.433 1.335 4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 553 -9.675 -0.223 4.392 1.00 0.00 H new ATOM 0 HG2 GLN A 553 -9.821 0.093 6.598 1.00 0.00 H new ATOM 0 HG3 GLN A 553 -8.713 1.445 6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 553 -11.068 1.136 8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 553 -12.085 2.532 7.867 1.00 0.00 H new ATOM 292 N LEU A 554 -8.549 0.259 1.781 1.00 0.00 N ATOM 293 CA LEU A 554 -8.045 -0.586 0.706 1.00 0.00 C ATOM 294 C LEU A 554 -6.684 -0.100 0.242 1.00 0.00 C ATOM 295 O LEU A 554 -5.853 -0.887 -0.214 1.00 0.00 O ATOM 296 CB LEU A 554 -9.031 -0.653 -0.475 1.00 0.00 C ATOM 297 CG LEU A 554 -9.939 -1.872 -0.457 1.00 0.00 C ATOM 298 CD1 LEU A 554 -10.826 -1.876 -1.683 1.00 0.00 C ATOM 299 CD2 LEU A 554 -9.125 -3.155 -0.390 1.00 0.00 C ATOM 0 H LEU A 554 -9.465 0.677 1.620 1.00 0.00 H new ATOM 0 HA LEU A 554 -7.939 -1.596 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -9.647 0.246 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.466 -0.648 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 554 -10.565 -1.821 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -11.473 -2.753 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -11.438 -0.974 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -10.207 -1.904 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -9.798 -4.013 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -8.472 -3.218 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -8.521 -3.156 0.517 1.00 0.00 H new ATOM 311 N SER A 555 -6.461 1.199 0.361 1.00 0.00 N ATOM 312 CA SER A 555 -5.186 1.777 -0.005 1.00 0.00 C ATOM 313 C SER A 555 -4.145 1.338 1.009 1.00 0.00 C ATOM 314 O SER A 555 -3.001 1.049 0.661 1.00 0.00 O ATOM 315 CB SER A 555 -5.274 3.306 -0.052 1.00 0.00 C ATOM 316 OG SER A 555 -4.019 3.879 -0.372 1.00 0.00 O ATOM 0 H SER A 555 -7.147 1.869 0.708 1.00 0.00 H new ATOM 0 HA SER A 555 -4.904 1.432 -0.999 1.00 0.00 H new ATOM 0 HB2 SER A 555 -6.015 3.608 -0.792 1.00 0.00 H new ATOM 0 HB3 SER A 555 -5.615 3.684 0.912 1.00 0.00 H new ATOM 0 HG SER A 555 -4.102 4.855 -0.397 1.00 0.00 H new ATOM 322 N ALA A 556 -4.558 1.303 2.276 1.00 0.00 N ATOM 323 CA ALA A 556 -3.681 0.882 3.356 1.00 0.00 C ATOM 324 C ALA A 556 -3.058 -0.489 3.120 1.00 0.00 C ATOM 325 O ALA A 556 -1.909 -0.706 3.507 1.00 0.00 O ATOM 326 CB ALA A 556 -4.437 0.888 4.676 1.00 0.00 C ATOM 0 H ALA A 556 -5.498 1.563 2.575 1.00 0.00 H new ATOM 0 HA ALA A 556 -2.862 1.600 3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 556 -3.771 0.571 5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 556 -4.800 1.895 4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 556 -5.282 0.203 4.614 1.00 0.00 H new ATOM 332 N MET A 557 -3.776 -1.429 2.494 1.00 0.00 N ATOM 333 CA MET A 557 -3.203 -2.753 2.243 1.00 0.00 C ATOM 334 C MET A 557 -2.664 -2.849 0.819 1.00 0.00 C ATOM 335 O MET A 557 -2.502 -3.943 0.277 1.00 0.00 O ATOM 336 CB MET A 557 -4.255 -3.840 2.464 1.00 0.00 C ATOM 337 CG MET A 557 -4.296 -4.348 3.893 1.00 0.00 C ATOM 338 SD MET A 557 -4.868 -6.055 4.023 1.00 0.00 S ATOM 339 CE MET A 557 -3.570 -6.924 3.147 1.00 0.00 C ATOM 0 H MET A 557 -4.731 -1.302 2.160 1.00 0.00 H new ATOM 0 HA MET A 557 -2.380 -2.901 2.943 1.00 0.00 H new ATOM 0 HB2 MET A 557 -5.236 -3.447 2.196 1.00 0.00 H new ATOM 0 HB3 MET A 557 -4.052 -4.675 1.794 1.00 0.00 H new ATOM 0 HG2 MET A 557 -3.300 -4.271 4.328 1.00 0.00 H new ATOM 0 HG3 MET A 557 -4.951 -3.706 4.482 1.00 0.00 H new ATOM 0 HE1 MET A 557 -3.473 -7.933 3.548 1.00 0.00 H new ATOM 0 HE2 MET A 557 -3.819 -6.977 2.087 1.00 0.00 H new ATOM 0 HE3 MET A 557 -2.627 -6.391 3.272 1.00 0.00 H new ATOM 349 N GLY A 558 -2.389 -1.697 0.228 1.00 0.00 N ATOM 350 CA GLY A 558 -1.883 -1.656 -1.130 1.00 0.00 C ATOM 351 C GLY A 558 -2.809 -0.894 -2.050 1.00 0.00 C ATOM 352 O GLY A 558 -3.047 0.293 -1.835 1.00 0.00 O ATOM 0 H GLY A 558 -2.508 -0.784 0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 558 -0.898 -1.189 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 558 -1.757 -2.673 -1.502 1.00 0.00 H new ATOM 356 N PHE A 559 -3.338 -1.574 -3.069 1.00 0.00 N ATOM 357 CA PHE A 559 -4.257 -0.999 -4.048 1.00 0.00 C ATOM 358 C PHE A 559 -4.101 0.495 -4.299 1.00 0.00 C ATOM 359 O PHE A 559 -4.471 1.340 -3.482 1.00 0.00 O ATOM 360 CB PHE A 559 -5.672 -1.368 -3.653 1.00 0.00 C ATOM 361 CG PHE A 559 -5.843 -2.842 -3.612 1.00 0.00 C ATOM 362 CD1 PHE A 559 -5.942 -3.600 -4.767 1.00 0.00 C ATOM 363 CD2 PHE A 559 -5.897 -3.454 -2.409 1.00 0.00 C ATOM 364 CE1 PHE A 559 -6.092 -4.971 -4.691 1.00 0.00 C ATOM 365 CE2 PHE A 559 -6.051 -4.822 -2.308 1.00 0.00 C ATOM 366 CZ PHE A 559 -6.147 -5.585 -3.454 1.00 0.00 C ATOM 0 H PHE A 559 -3.134 -2.559 -3.238 1.00 0.00 H new ATOM 0 HA PHE A 559 -4.001 -1.433 -5.015 1.00 0.00 H new ATOM 0 HB2 PHE A 559 -5.904 -0.944 -2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 559 -6.377 -0.936 -4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 559 -5.902 -3.117 -5.732 1.00 0.00 H new ATOM 0 HD2 PHE A 559 -5.818 -2.862 -1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 559 -6.166 -5.560 -5.593 1.00 0.00 H new ATOM 0 HE2 PHE A 559 -6.096 -5.293 -1.337 1.00 0.00 H new ATOM 0 HZ PHE A 559 -6.264 -6.656 -3.385 1.00 0.00 H new ATOM 376 N LEU A 560 -3.574 0.790 -5.482 1.00 0.00 N ATOM 377 CA LEU A 560 -3.367 2.156 -5.934 1.00 0.00 C ATOM 378 C LEU A 560 -4.403 2.484 -6.999 1.00 0.00 C ATOM 379 O LEU A 560 -4.309 3.494 -7.698 1.00 0.00 O ATOM 380 CB LEU A 560 -1.953 2.335 -6.498 1.00 0.00 C ATOM 381 CG LEU A 560 -1.563 1.352 -7.605 1.00 0.00 C ATOM 382 CD1 LEU A 560 -0.735 2.052 -8.670 1.00 0.00 C ATOM 383 CD2 LEU A 560 -0.792 0.176 -7.024 1.00 0.00 C ATOM 0 H LEU A 560 -3.278 0.084 -6.156 1.00 0.00 H new ATOM 0 HA LEU A 560 -3.478 2.835 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 560 -1.860 3.349 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 560 -1.238 2.239 -5.681 1.00 0.00 H new ATOM 0 HG LEU A 560 -2.475 0.975 -8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 560 -0.466 1.339 -9.449 1.00 0.00 H new ATOM 0 HD12 LEU A 560 -1.316 2.865 -9.107 1.00 0.00 H new ATOM 0 HD13 LEU A 560 0.172 2.455 -8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 560 -0.522 -0.513 -7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 560 0.113 0.539 -6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 560 -1.414 -0.342 -6.294 1.00 0.00 H new ATOM 395 N ASN A 561 -5.399 1.607 -7.104 1.00 0.00 N ATOM 396 CA ASN A 561 -6.478 1.766 -8.068 1.00 0.00 C ATOM 397 C ASN A 561 -7.687 2.392 -7.386 1.00 0.00 C ATOM 398 O ASN A 561 -8.363 1.754 -6.580 1.00 0.00 O ATOM 399 CB ASN A 561 -6.851 0.413 -8.676 1.00 0.00 C ATOM 400 CG ASN A 561 -7.788 0.546 -9.861 1.00 0.00 C ATOM 401 OD1 ASN A 561 -8.577 1.489 -9.943 1.00 0.00 O ATOM 402 ND2 ASN A 561 -7.708 -0.399 -10.790 1.00 0.00 N ATOM 0 H ASN A 561 -5.478 0.771 -6.525 1.00 0.00 H new ATOM 0 HA ASN A 561 -6.144 2.423 -8.871 1.00 0.00 H new ATOM 0 HB2 ASN A 561 -5.944 -0.103 -8.991 1.00 0.00 H new ATOM 0 HB3 ASN A 561 -7.322 -0.207 -7.913 1.00 0.00 H new ATOM 0 HD21 ASN A 561 -8.314 -0.361 -11.610 1.00 0.00 H new ATOM 0 HD22 ASN A 561 -7.041 -1.163 -10.684 1.00 0.00 H new ATOM 409 N ARG A 562 -7.954 3.642 -7.734 1.00 0.00 N ATOM 410 CA ARG A 562 -9.056 4.396 -7.151 1.00 0.00 C ATOM 411 C ARG A 562 -10.406 3.722 -7.391 1.00 0.00 C ATOM 412 O ARG A 562 -11.101 3.339 -6.444 1.00 0.00 O ATOM 413 CB ARG A 562 -9.063 5.807 -7.742 1.00 0.00 C ATOM 414 CG ARG A 562 -7.696 6.478 -7.732 1.00 0.00 C ATOM 415 CD ARG A 562 -7.072 6.486 -6.341 1.00 0.00 C ATOM 416 NE ARG A 562 -5.708 7.006 -6.356 1.00 0.00 N ATOM 417 CZ ARG A 562 -4.841 6.837 -5.361 1.00 0.00 C ATOM 418 NH1 ARG A 562 -5.193 6.160 -4.276 1.00 0.00 N ATOM 419 NH2 ARG A 562 -3.620 7.343 -5.451 1.00 0.00 N ATOM 0 H ARG A 562 -7.415 4.162 -8.427 1.00 0.00 H new ATOM 0 HA ARG A 562 -8.905 4.437 -6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -9.428 5.761 -8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -9.765 6.424 -7.181 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -7.033 5.959 -8.424 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -7.793 7.502 -8.092 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -7.684 7.092 -5.673 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -7.069 5.473 -5.939 1.00 0.00 H new ATOM 0 HE ARG A 562 -5.402 7.529 -7.177 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -6.131 5.767 -4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -4.525 6.033 -3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -3.344 7.863 -6.284 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -2.956 7.213 -4.687 1.00 0.00 H new ATOM 433 N GLU A 563 -10.767 3.587 -8.659 1.00 0.00 N ATOM 434 CA GLU A 563 -12.036 2.980 -9.042 1.00 0.00 C ATOM 435 C GLU A 563 -12.213 1.586 -8.444 1.00 0.00 C ATOM 436 O GLU A 563 -13.323 1.208 -8.048 1.00 0.00 O ATOM 437 CB GLU A 563 -12.135 2.901 -10.566 1.00 0.00 C ATOM 438 CG GLU A 563 -13.163 3.849 -11.161 1.00 0.00 C ATOM 439 CD GLU A 563 -14.585 3.365 -10.964 1.00 0.00 C ATOM 440 OE1 GLU A 563 -15.084 3.445 -9.821 1.00 0.00 O ATOM 441 OE2 GLU A 563 -15.200 2.904 -11.948 1.00 0.00 O ATOM 0 H GLU A 563 -10.195 3.892 -9.446 1.00 0.00 H new ATOM 0 HA GLU A 563 -12.831 3.612 -8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -11.158 3.121 -10.997 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -12.387 1.880 -10.853 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -13.052 4.833 -10.705 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -12.968 3.968 -12.227 1.00 0.00 H new ATOM 448 N ALA A 564 -11.121 0.831 -8.334 1.00 0.00 N ATOM 449 CA ALA A 564 -11.192 -0.530 -7.824 1.00 0.00 C ATOM 450 C ALA A 564 -11.324 -0.560 -6.308 1.00 0.00 C ATOM 451 O ALA A 564 -11.860 -1.519 -5.750 1.00 0.00 O ATOM 452 CB ALA A 564 -9.976 -1.327 -8.264 1.00 0.00 C ATOM 0 H ALA A 564 -10.183 1.140 -8.591 1.00 0.00 H new ATOM 0 HA ALA A 564 -12.088 -0.989 -8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 564 -10.046 -2.342 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 564 -9.936 -1.359 -9.353 1.00 0.00 H new ATOM 0 HB3 ALA A 564 -9.072 -0.853 -7.882 1.00 0.00 H new ATOM 458 N ASN A 565 -10.845 0.486 -5.633 1.00 0.00 N ATOM 459 CA ASN A 565 -10.918 0.522 -4.178 1.00 0.00 C ATOM 460 C ASN A 565 -12.349 0.732 -3.739 1.00 0.00 C ATOM 461 O ASN A 565 -12.903 -0.068 -2.989 1.00 0.00 O ATOM 462 CB ASN A 565 -10.087 1.666 -3.600 1.00 0.00 C ATOM 463 CG ASN A 565 -8.602 1.517 -3.813 1.00 0.00 C ATOM 464 OD1 ASN A 565 -8.117 0.479 -4.265 1.00 0.00 O ATOM 465 ND2 ASN A 565 -7.870 2.567 -3.465 1.00 0.00 N ATOM 0 H ASN A 565 -10.411 1.303 -6.063 1.00 0.00 H new ATOM 0 HA ASN A 565 -10.529 -0.429 -3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -10.416 2.603 -4.050 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -10.284 1.740 -2.531 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -6.856 2.538 -3.567 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -8.322 3.404 -3.095 1.00 0.00 H new ATOM 472 N LEU A 566 -12.958 1.806 -4.233 1.00 0.00 N ATOM 473 CA LEU A 566 -14.311 2.123 -3.888 1.00 0.00 C ATOM 474 C LEU A 566 -15.242 0.971 -4.203 1.00 0.00 C ATOM 475 O LEU A 566 -16.086 0.609 -3.385 1.00 0.00 O ATOM 476 CB LEU A 566 -14.753 3.360 -4.644 1.00 0.00 C ATOM 477 CG LEU A 566 -15.758 4.207 -3.905 1.00 0.00 C ATOM 478 CD1 LEU A 566 -16.428 5.196 -4.833 1.00 0.00 C ATOM 479 CD2 LEU A 566 -16.792 3.357 -3.222 1.00 0.00 C ATOM 0 H LEU A 566 -12.520 2.466 -4.876 1.00 0.00 H new ATOM 0 HA LEU A 566 -14.355 2.311 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -13.877 3.968 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -15.182 3.055 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 566 -15.212 4.763 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -17.147 5.792 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -15.675 5.852 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -16.945 4.657 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -17.502 3.998 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -17.321 2.761 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -16.304 2.695 -2.506 1.00 0.00 H new ATOM 491 N GLN A 567 -15.105 0.388 -5.383 1.00 0.00 N ATOM 492 CA GLN A 567 -15.995 -0.691 -5.748 1.00 0.00 C ATOM 493 C GLN A 567 -15.894 -1.872 -4.823 1.00 0.00 C ATOM 494 O GLN A 567 -16.914 -2.453 -4.463 1.00 0.00 O ATOM 495 CB GLN A 567 -15.804 -1.110 -7.208 1.00 0.00 C ATOM 496 CG GLN A 567 -16.770 -2.193 -7.670 1.00 0.00 C ATOM 497 CD GLN A 567 -18.120 -1.645 -8.105 1.00 0.00 C ATOM 498 OE1 GLN A 567 -18.537 -0.529 -7.515 1.00 0.00 O flip ATOM 499 NE2 GLN A 567 -18.783 -2.222 -8.967 1.00 0.00 N flip ATOM 0 H GLN A 567 -14.406 0.637 -6.083 1.00 0.00 H new ATOM 0 HA GLN A 567 -17.006 -0.299 -5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -15.923 -0.234 -7.846 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -14.783 -1.466 -7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -16.323 -2.740 -8.500 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -16.919 -2.908 -6.860 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -18.428 -3.077 -9.396 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -19.687 -1.846 -9.252 1.00 0.00 H new ATOM 508 N ALA A 568 -14.700 -2.252 -4.436 1.00 0.00 N ATOM 509 CA ALA A 568 -14.586 -3.348 -3.512 1.00 0.00 C ATOM 510 C ALA A 568 -15.278 -2.953 -2.214 1.00 0.00 C ATOM 511 O ALA A 568 -15.824 -3.802 -1.498 1.00 0.00 O ATOM 512 CB ALA A 568 -13.130 -3.714 -3.284 1.00 0.00 C ATOM 0 H ALA A 568 -13.820 -1.832 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 568 -15.069 -4.235 -3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 568 -13.069 -4.545 -2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 568 -12.675 -4.005 -4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 568 -12.598 -2.855 -2.876 1.00 0.00 H new ATOM 518 N LEU A 569 -15.302 -1.640 -1.931 1.00 0.00 N ATOM 519 CA LEU A 569 -15.908 -1.134 -0.730 1.00 0.00 C ATOM 520 C LEU A 569 -17.424 -1.192 -0.774 1.00 0.00 C ATOM 521 O LEU A 569 -18.059 -1.561 0.211 1.00 0.00 O ATOM 522 CB LEU A 569 -15.444 0.285 -0.564 1.00 0.00 C ATOM 523 CG LEU A 569 -14.282 0.470 0.387 1.00 0.00 C ATOM 524 CD1 LEU A 569 -14.727 0.227 1.819 1.00 0.00 C ATOM 525 CD2 LEU A 569 -13.135 -0.455 0.032 1.00 0.00 C ATOM 0 H LEU A 569 -14.901 -0.922 -2.534 1.00 0.00 H new ATOM 0 HA LEU A 569 -15.608 -1.755 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 569 -15.160 0.675 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 569 -16.282 0.887 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 569 -13.932 1.498 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 569 -13.880 0.364 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 569 -15.515 0.933 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 569 -15.105 -0.791 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 569 -12.313 -0.301 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 569 -13.471 -1.490 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 569 -12.794 -0.240 -0.981 1.00 0.00 H new ATOM 537 N ILE A 570 -18.010 -0.819 -1.907 1.00 0.00 N ATOM 538 CA ILE A 570 -19.455 -0.859 -2.031 1.00 0.00 C ATOM 539 C ILE A 570 -19.894 -2.315 -2.132 1.00 0.00 C ATOM 540 O ILE A 570 -20.932 -2.713 -1.604 1.00 0.00 O ATOM 541 CB ILE A 570 -19.949 -0.094 -3.276 1.00 0.00 C ATOM 542 CG1 ILE A 570 -19.581 1.391 -3.178 1.00 0.00 C ATOM 543 CG2 ILE A 570 -21.453 -0.267 -3.450 1.00 0.00 C ATOM 544 CD1 ILE A 570 -20.260 2.121 -2.036 1.00 0.00 C ATOM 0 H ILE A 570 -17.514 -0.492 -2.736 1.00 0.00 H new ATOM 0 HA ILE A 570 -19.887 -0.378 -1.153 1.00 0.00 H new ATOM 0 HB ILE A 570 -19.454 -0.510 -4.154 1.00 0.00 H new ATOM 0 HG12 ILE A 570 -18.501 1.480 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 570 -19.842 1.882 -4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 570 -21.782 0.280 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 570 -21.686 -1.325 -3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 570 -21.968 0.120 -2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 570 -19.948 3.165 -2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 570 -21.341 2.066 -2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 570 -19.980 1.658 -1.090 1.00 0.00 H new ATOM 556 N ALA A 571 -19.069 -3.098 -2.829 1.00 0.00 N ATOM 557 CA ALA A 571 -19.317 -4.520 -3.032 1.00 0.00 C ATOM 558 C ALA A 571 -19.460 -5.267 -1.713 1.00 0.00 C ATOM 559 O ALA A 571 -20.210 -6.240 -1.630 1.00 0.00 O ATOM 560 CB ALA A 571 -18.202 -5.133 -3.865 1.00 0.00 C ATOM 0 H ALA A 571 -18.212 -2.761 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 571 -20.262 -4.616 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 571 -18.398 -6.195 -4.010 1.00 0.00 H new ATOM 0 HB2 ALA A 571 -18.157 -4.637 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 571 -17.250 -5.007 -3.348 1.00 0.00 H new ATOM 566 N THR A 572 -18.748 -4.822 -0.677 1.00 0.00 N ATOM 567 CA THR A 572 -18.847 -5.483 0.618 1.00 0.00 C ATOM 568 C THR A 572 -19.773 -4.702 1.544 1.00 0.00 C ATOM 569 O THR A 572 -20.544 -5.283 2.306 1.00 0.00 O ATOM 570 CB THR A 572 -17.468 -5.625 1.285 1.00 0.00 C ATOM 571 OG1 THR A 572 -16.806 -4.356 1.320 1.00 0.00 O ATOM 572 CG2 THR A 572 -16.607 -6.631 0.537 1.00 0.00 C ATOM 0 H THR A 572 -18.112 -4.025 -0.709 1.00 0.00 H new ATOM 0 HA THR A 572 -19.254 -6.479 0.444 1.00 0.00 H new ATOM 0 HB THR A 572 -17.617 -5.984 2.303 1.00 0.00 H new ATOM 0 HG1 THR A 572 -16.498 -4.123 0.419 1.00 0.00 H new ATOM 0 HG21 THR A 572 -15.637 -6.715 1.027 1.00 0.00 H new ATOM 0 HG22 THR A 572 -17.099 -7.603 0.538 1.00 0.00 H new ATOM 0 HG23 THR A 572 -16.467 -6.297 -0.491 1.00 0.00 H new ATOM 580 N GLY A 573 -19.685 -3.377 1.465 1.00 0.00 N ATOM 581 CA GLY A 573 -20.554 -2.525 2.257 1.00 0.00 C ATOM 582 C GLY A 573 -19.927 -2.096 3.571 1.00 0.00 C ATOM 583 O GLY A 573 -20.637 -1.831 4.540 1.00 0.00 O ATOM 0 H GLY A 573 -19.027 -2.878 0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -20.811 -1.639 1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -21.485 -3.054 2.461 1.00 0.00 H new ATOM 587 N GLY A 574 -18.596 -2.023 3.609 1.00 0.00 N ATOM 588 CA GLY A 574 -17.920 -1.619 4.832 1.00 0.00 C ATOM 589 C GLY A 574 -16.842 -2.599 5.247 1.00 0.00 C ATOM 590 O GLY A 574 -15.840 -2.213 5.847 1.00 0.00 O ATOM 0 H GLY A 574 -17.980 -2.234 2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 574 -17.476 -0.634 4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 574 -18.652 -1.526 5.635 1.00 0.00 H new ATOM 594 N ASP A 575 -17.058 -3.872 4.939 1.00 0.00 N ATOM 595 CA ASP A 575 -16.090 -4.914 5.257 1.00 0.00 C ATOM 596 C ASP A 575 -14.943 -4.808 4.270 1.00 0.00 C ATOM 597 O ASP A 575 -14.843 -5.578 3.316 1.00 0.00 O ATOM 598 CB ASP A 575 -16.740 -6.298 5.191 1.00 0.00 C ATOM 599 CG ASP A 575 -16.082 -7.289 6.131 1.00 0.00 C ATOM 600 OD1 ASP A 575 -14.859 -7.173 6.355 1.00 0.00 O ATOM 601 OD2 ASP A 575 -16.789 -8.184 6.640 1.00 0.00 O ATOM 0 H ASP A 575 -17.898 -4.208 4.468 1.00 0.00 H new ATOM 0 HA ASP A 575 -15.719 -4.781 6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -17.798 -6.212 5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -16.682 -6.676 4.170 1.00 0.00 H new ATOM 606 N ILE A 576 -14.087 -3.831 4.518 1.00 0.00 N ATOM 607 CA ILE A 576 -12.967 -3.527 3.646 1.00 0.00 C ATOM 608 C ILE A 576 -11.991 -4.670 3.594 1.00 0.00 C ATOM 609 O ILE A 576 -11.467 -4.990 2.539 1.00 0.00 O ATOM 610 CB ILE A 576 -12.252 -2.247 4.107 1.00 0.00 C ATOM 611 CG1 ILE A 576 -13.276 -1.294 4.751 1.00 0.00 C ATOM 612 CG2 ILE A 576 -11.538 -1.602 2.928 1.00 0.00 C ATOM 613 CD1 ILE A 576 -12.884 0.171 4.737 1.00 0.00 C ATOM 0 H ILE A 576 -14.151 -3.223 5.335 1.00 0.00 H new ATOM 0 HA ILE A 576 -13.364 -3.369 2.643 1.00 0.00 H new ATOM 0 HB ILE A 576 -11.498 -2.487 4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 576 -14.229 -1.405 4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 576 -13.437 -1.602 5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 576 -11.033 -0.695 3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 576 -10.804 -2.298 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 576 -12.265 -1.350 2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 576 -13.667 0.762 5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 576 -11.949 0.303 5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 576 -12.753 0.503 3.707 1.00 0.00 H new ATOM 625 N ASN A 577 -11.814 -5.309 4.733 1.00 0.00 N ATOM 626 CA ASN A 577 -10.923 -6.433 4.876 1.00 0.00 C ATOM 627 C ASN A 577 -11.432 -7.576 4.013 1.00 0.00 C ATOM 628 O ASN A 577 -10.674 -8.265 3.327 1.00 0.00 O ATOM 629 CB ASN A 577 -10.916 -6.826 6.341 1.00 0.00 C ATOM 630 CG ASN A 577 -9.832 -6.117 7.123 1.00 0.00 C ATOM 631 OD1 ASN A 577 -8.731 -6.636 7.299 1.00 0.00 O ATOM 632 ND2 ASN A 577 -10.146 -4.914 7.589 1.00 0.00 N ATOM 0 H ASN A 577 -12.295 -5.055 5.596 1.00 0.00 H new ATOM 0 HA ASN A 577 -9.910 -6.186 4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 577 -11.887 -6.596 6.781 1.00 0.00 H new ATOM 0 HB3 ASN A 577 -10.775 -7.904 6.425 1.00 0.00 H new ATOM 0 HD21 ASN A 577 -9.460 -4.377 8.120 1.00 0.00 H new ATOM 0 HD22 ASN A 577 -11.074 -4.526 7.416 1.00 0.00 H new ATOM 639 N ALA A 578 -12.743 -7.747 4.066 1.00 0.00 N ATOM 640 CA ALA A 578 -13.413 -8.761 3.274 1.00 0.00 C ATOM 641 C ALA A 578 -13.227 -8.399 1.813 1.00 0.00 C ATOM 642 O ALA A 578 -12.971 -9.253 0.958 1.00 0.00 O ATOM 643 CB ALA A 578 -14.889 -8.847 3.630 1.00 0.00 C ATOM 0 H ALA A 578 -13.366 -7.192 4.653 1.00 0.00 H new ATOM 0 HA ALA A 578 -12.983 -9.742 3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 578 -15.366 -9.615 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 578 -14.995 -9.102 4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 578 -15.366 -7.885 3.440 1.00 0.00 H new ATOM 649 N ALA A 579 -13.320 -7.097 1.553 1.00 0.00 N ATOM 650 CA ALA A 579 -13.150 -6.559 0.219 1.00 0.00 C ATOM 651 C ALA A 579 -11.736 -6.802 -0.276 1.00 0.00 C ATOM 652 O ALA A 579 -11.525 -7.051 -1.454 1.00 0.00 O ATOM 653 CB ALA A 579 -13.471 -5.072 0.204 1.00 0.00 C ATOM 0 H ALA A 579 -13.515 -6.392 2.264 1.00 0.00 H new ATOM 0 HA ALA A 579 -13.841 -7.070 -0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 579 -13.339 -4.681 -0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 579 -14.503 -4.919 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 579 -12.801 -4.548 0.886 1.00 0.00 H new ATOM 659 N ILE A 580 -10.767 -6.736 0.635 1.00 0.00 N ATOM 660 CA ILE A 580 -9.382 -6.952 0.288 1.00 0.00 C ATOM 661 C ILE A 580 -9.183 -8.379 -0.214 1.00 0.00 C ATOM 662 O ILE A 580 -8.417 -8.626 -1.139 1.00 0.00 O ATOM 663 CB ILE A 580 -8.477 -6.724 1.512 1.00 0.00 C ATOM 664 CG1 ILE A 580 -8.836 -5.405 2.226 1.00 0.00 C ATOM 665 CG2 ILE A 580 -7.011 -6.757 1.098 1.00 0.00 C ATOM 666 CD1 ILE A 580 -7.712 -4.804 3.045 1.00 0.00 C ATOM 0 H ILE A 580 -10.927 -6.533 1.622 1.00 0.00 H new ATOM 0 HA ILE A 580 -9.115 -6.244 -0.496 1.00 0.00 H new ATOM 0 HB ILE A 580 -8.644 -7.532 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -9.152 -4.677 1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -9.690 -5.582 2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -6.382 -6.594 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -6.779 -7.727 0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -6.822 -5.973 0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -8.055 -3.880 3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -7.408 -5.509 3.819 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -6.863 -4.590 2.396 1.00 0.00 H new ATOM 678 N GLU A 581 -9.905 -9.303 0.407 1.00 0.00 N ATOM 679 CA GLU A 581 -9.824 -10.725 0.068 1.00 0.00 C ATOM 680 C GLU A 581 -10.358 -11.019 -1.333 1.00 0.00 C ATOM 681 O GLU A 581 -9.747 -11.774 -2.090 1.00 0.00 O ATOM 682 CB GLU A 581 -10.596 -11.553 1.097 1.00 0.00 C ATOM 683 CG GLU A 581 -10.477 -13.054 0.885 1.00 0.00 C ATOM 684 CD GLU A 581 -11.277 -13.851 1.897 1.00 0.00 C ATOM 685 OE1 GLU A 581 -10.762 -14.082 3.011 1.00 0.00 O ATOM 686 OE2 GLU A 581 -12.418 -14.244 1.577 1.00 0.00 O ATOM 0 H GLU A 581 -10.562 -9.093 1.158 1.00 0.00 H new ATOM 0 HA GLU A 581 -8.769 -11.000 0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -10.234 -11.306 2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -11.649 -11.272 1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -10.818 -13.303 -0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -9.428 -13.344 0.947 1.00 0.00 H new ATOM 693 N ARG A 582 -11.499 -10.428 -1.672 1.00 0.00 N ATOM 694 CA ARG A 582 -12.100 -10.667 -2.985 1.00 0.00 C ATOM 695 C ARG A 582 -11.434 -9.820 -4.062 1.00 0.00 C ATOM 696 O ARG A 582 -11.192 -10.288 -5.175 1.00 0.00 O ATOM 697 CB ARG A 582 -13.594 -10.405 -2.978 1.00 0.00 C ATOM 698 CG ARG A 582 -13.937 -9.038 -2.470 1.00 0.00 C ATOM 699 CD ARG A 582 -14.858 -9.149 -1.274 1.00 0.00 C ATOM 700 NE ARG A 582 -16.165 -9.691 -1.636 1.00 0.00 N ATOM 701 CZ ARG A 582 -17.040 -9.062 -2.417 1.00 0.00 C ATOM 702 NH1 ARG A 582 -16.750 -7.870 -2.922 1.00 0.00 N ATOM 703 NH2 ARG A 582 -18.205 -9.626 -2.696 1.00 0.00 N ATOM 0 H ARG A 582 -12.021 -9.791 -1.070 1.00 0.00 H new ATOM 0 HA ARG A 582 -11.938 -11.720 -3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 582 -13.984 -10.521 -3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 582 -14.087 -11.153 -2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 582 -13.028 -8.505 -2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 582 -14.418 -8.458 -3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 582 -14.397 -9.787 -0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 582 -14.986 -8.165 -0.823 1.00 0.00 H new ATOM 0 HE ARG A 582 -16.423 -10.607 -1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 582 -15.853 -7.432 -2.712 1.00 0.00 H new ATOM 0 HH12 ARG A 582 -17.424 -7.392 -3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 582 -18.432 -10.543 -2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 582 -18.875 -9.143 -3.295 1.00 0.00 H new ATOM 717 N LEU A 583 -11.145 -8.561 -3.720 1.00 0.00 N ATOM 718 CA LEU A 583 -10.546 -7.627 -4.622 1.00 0.00 C ATOM 719 C LEU A 583 -9.221 -8.173 -5.118 1.00 0.00 C ATOM 720 O LEU A 583 -8.896 -8.070 -6.302 1.00 0.00 O ATOM 721 CB LEU A 583 -10.369 -6.314 -3.873 1.00 0.00 C ATOM 722 CG LEU A 583 -9.370 -5.372 -4.474 1.00 0.00 C ATOM 723 CD1 LEU A 583 -9.762 -4.964 -5.889 1.00 0.00 C ATOM 724 CD2 LEU A 583 -9.190 -4.150 -3.593 1.00 0.00 C ATOM 0 H LEU A 583 -11.330 -8.177 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 583 -11.174 -7.461 -5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 583 -11.334 -5.811 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 583 -10.068 -6.535 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 583 -8.417 -5.898 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 583 -9.014 -4.281 -6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 583 -9.821 -5.851 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 583 -10.732 -4.468 -5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 583 -8.461 -3.479 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 583 -10.144 -3.633 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 583 -8.836 -4.459 -2.610 1.00 0.00 H new ATOM 736 N LEU A 584 -8.463 -8.757 -4.203 1.00 0.00 N ATOM 737 CA LEU A 584 -7.221 -9.356 -4.507 1.00 0.00 C ATOM 738 C LEU A 584 -7.496 -10.781 -4.971 1.00 0.00 C ATOM 739 O LEU A 584 -6.688 -11.399 -5.665 1.00 0.00 O ATOM 740 CB LEU A 584 -6.405 -9.306 -3.224 1.00 0.00 C ATOM 741 CG LEU A 584 -6.211 -10.636 -2.498 1.00 0.00 C ATOM 742 CD1 LEU A 584 -5.071 -11.439 -3.111 1.00 0.00 C ATOM 743 CD2 LEU A 584 -5.958 -10.406 -1.015 1.00 0.00 C ATOM 0 H LEU A 584 -8.719 -8.817 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 584 -6.670 -8.853 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 584 -5.422 -8.897 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 584 -6.886 -8.608 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 584 -7.129 -11.213 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 584 -4.958 -12.380 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 584 -5.293 -11.645 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 584 -4.145 -10.868 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 584 -5.822 -11.366 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 584 -5.060 -9.801 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 584 -6.810 -9.886 -0.577 1.00 0.00 H new