USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 455 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 20 GLN : amide:sc= -0.392 K(o=-0.39,f=-1.5!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.11) USER MOD Single : A 27 GLN : amide:sc= -4.28! C(o=-4.3!,f=-11!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -7! C(o=-7!,f=-14!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.012 USER MOD Single : A 37 SER OG : rot -89:sc= 0.462 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot -63:sc= -1.14! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -120:sc= -1.1 USER MOD Single : A 65 SER OG : rot 180:sc= -0.911 USER MOD Single : A 69 CYS SG : rot -46:sc= -0.125 USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.83! USER MOD Single : A 79 CYS SG : rot 180:sc= -0.604 USER MOD Single : A 83 HIS :FLIP no HD1:sc= -3.42 F(o=-4.6,f=-3.4) USER MOD ----------------------------------------------------------------- ATOM 277 N GLU A 19 95.484 -11.559 7.776 1.00 0.00 N ATOM 278 CA GLU A 19 96.716 -10.786 7.464 1.00 0.00 C ATOM 279 C GLU A 19 96.356 -9.316 7.243 1.00 0.00 C ATOM 280 O GLU A 19 97.177 -8.432 7.380 1.00 0.00 O ATOM 281 CB GLU A 19 97.263 -11.403 6.177 1.00 0.00 C ATOM 282 CG GLU A 19 98.128 -12.616 6.520 1.00 0.00 C ATOM 283 CD GLU A 19 99.545 -12.399 5.983 1.00 0.00 C ATOM 284 OE1 GLU A 19 99.744 -12.600 4.797 1.00 0.00 O ATOM 285 OE2 GLU A 19 100.404 -12.035 6.768 1.00 0.00 O ATOM 0 HA GLU A 19 97.449 -10.825 8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 19 96.441 -11.702 5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 19 97.851 -10.667 5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 19 98.155 -12.763 7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 19 97.697 -13.518 6.086 1.00 0.00 H new ATOM 292 N GLN A 20 95.122 -9.056 6.907 1.00 0.00 N ATOM 293 CA GLN A 20 94.689 -7.654 6.681 1.00 0.00 C ATOM 294 C GLN A 20 93.480 -7.334 7.565 1.00 0.00 C ATOM 295 O GLN A 20 93.243 -6.198 7.920 1.00 0.00 O ATOM 296 CB GLN A 20 94.318 -7.580 5.199 1.00 0.00 C ATOM 297 CG GLN A 20 92.968 -8.261 4.967 1.00 0.00 C ATOM 298 CD GLN A 20 92.550 -8.078 3.506 1.00 0.00 C ATOM 299 OE1 GLN A 20 93.363 -7.744 2.668 1.00 0.00 O ATOM 300 NE2 GLN A 20 91.307 -8.280 3.166 1.00 0.00 N ATOM 0 H GLN A 20 94.394 -9.759 6.780 1.00 0.00 H new ATOM 0 HA GLN A 20 95.466 -6.933 6.932 1.00 0.00 H new ATOM 0 HB2 GLN A 20 94.270 -6.539 4.878 1.00 0.00 H new ATOM 0 HB3 GLN A 20 95.088 -8.064 4.598 1.00 0.00 H new ATOM 0 HG2 GLN A 20 93.038 -9.322 5.207 1.00 0.00 H new ATOM 0 HG3 GLN A 20 92.214 -7.834 5.629 1.00 0.00 H new ATOM 0 HE21 GLN A 20 90.625 -8.561 3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 20 91.017 -8.157 2.196 1.00 0.00 H new ATOM 309 N ARG A 21 92.717 -8.332 7.930 1.00 0.00 N ATOM 310 CA ARG A 21 91.533 -8.082 8.797 1.00 0.00 C ATOM 311 C ARG A 21 91.992 -7.590 10.170 1.00 0.00 C ATOM 312 O ARG A 21 91.311 -6.832 10.831 1.00 0.00 O ATOM 313 CB ARG A 21 90.833 -9.437 8.916 1.00 0.00 C ATOM 314 CG ARG A 21 89.460 -9.362 8.247 1.00 0.00 C ATOM 315 CD ARG A 21 88.552 -10.454 8.818 1.00 0.00 C ATOM 316 NE ARG A 21 89.132 -11.733 8.325 1.00 0.00 N ATOM 317 CZ ARG A 21 88.346 -12.679 7.888 1.00 0.00 C ATOM 318 NH1 ARG A 21 87.308 -12.380 7.159 1.00 0.00 N ATOM 319 NH2 ARG A 21 88.601 -13.925 8.182 1.00 0.00 N ATOM 0 H ARG A 21 92.864 -9.306 7.665 1.00 0.00 H new ATOM 0 HA ARG A 21 90.869 -7.320 8.388 1.00 0.00 H new ATOM 0 HB2 ARG A 21 91.437 -10.213 8.445 1.00 0.00 H new ATOM 0 HB3 ARG A 21 90.724 -9.711 9.965 1.00 0.00 H new ATOM 0 HG2 ARG A 21 89.016 -8.381 8.414 1.00 0.00 H new ATOM 0 HG3 ARG A 21 89.562 -9.486 7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 21 88.534 -10.423 9.907 1.00 0.00 H new ATOM 0 HD3 ARG A 21 87.524 -10.330 8.478 1.00 0.00 H new ATOM 0 HE ARG A 21 90.143 -11.870 8.329 1.00 0.00 H new ATOM 0 HH11 ARG A 21 87.109 -11.406 6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 21 86.694 -13.120 6.818 1.00 0.00 H new ATOM 0 HH21 ARG A 21 89.414 -14.158 8.753 1.00 0.00 H new ATOM 0 HH22 ARG A 21 87.988 -14.665 7.841 1.00 0.00 H new ATOM 333 N GLU A 22 93.149 -8.014 10.602 1.00 0.00 N ATOM 334 CA GLU A 22 93.657 -7.567 11.930 1.00 0.00 C ATOM 335 C GLU A 22 94.032 -6.084 11.870 1.00 0.00 C ATOM 336 O GLU A 22 93.650 -5.302 12.718 1.00 0.00 O ATOM 337 CB GLU A 22 94.895 -8.426 12.194 1.00 0.00 C ATOM 338 CG GLU A 22 94.513 -9.907 12.130 1.00 0.00 C ATOM 339 CD GLU A 22 95.236 -10.669 13.241 1.00 0.00 C ATOM 340 OE1 GLU A 22 94.735 -10.672 14.354 1.00 0.00 O ATOM 341 OE2 GLU A 22 96.277 -11.239 12.961 1.00 0.00 O ATOM 0 H GLU A 22 93.763 -8.650 10.093 1.00 0.00 H new ATOM 0 HA GLU A 22 92.914 -7.679 12.719 1.00 0.00 H new ATOM 0 HB2 GLU A 22 95.667 -8.207 11.456 1.00 0.00 H new ATOM 0 HB3 GLU A 22 95.313 -8.189 13.173 1.00 0.00 H new ATOM 0 HG2 GLU A 22 93.434 -10.020 12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 22 94.780 -10.321 11.158 1.00 0.00 H new ATOM 348 N TYR A 23 94.770 -5.693 10.868 1.00 0.00 N ATOM 349 CA TYR A 23 95.163 -4.260 10.746 1.00 0.00 C ATOM 350 C TYR A 23 93.940 -3.416 10.380 1.00 0.00 C ATOM 351 O TYR A 23 93.893 -2.228 10.632 1.00 0.00 O ATOM 352 CB TYR A 23 96.197 -4.227 9.620 1.00 0.00 C ATOM 353 CG TYR A 23 96.870 -2.876 9.590 1.00 0.00 C ATOM 354 CD1 TYR A 23 97.518 -2.392 10.732 1.00 0.00 C ATOM 355 CD2 TYR A 23 96.847 -2.107 8.420 1.00 0.00 C ATOM 356 CE1 TYR A 23 98.144 -1.140 10.705 1.00 0.00 C ATOM 357 CE2 TYR A 23 97.472 -0.854 8.394 1.00 0.00 C ATOM 358 CZ TYR A 23 98.121 -0.371 9.536 1.00 0.00 C ATOM 359 OH TYR A 23 98.738 0.863 9.509 1.00 0.00 O ATOM 0 H TYR A 23 95.118 -6.303 10.128 1.00 0.00 H new ATOM 0 HA TYR A 23 95.565 -3.856 11.675 1.00 0.00 H new ATOM 0 HB2 TYR A 23 96.939 -5.011 9.771 1.00 0.00 H new ATOM 0 HB3 TYR A 23 95.714 -4.425 8.663 1.00 0.00 H new ATOM 0 HD1 TYR A 23 97.535 -2.985 11.635 1.00 0.00 H new ATOM 0 HD2 TYR A 23 96.348 -2.480 7.538 1.00 0.00 H new ATOM 0 HE1 TYR A 23 98.645 -0.768 11.586 1.00 0.00 H new ATOM 0 HE2 TYR A 23 97.453 -0.260 7.492 1.00 0.00 H new ATOM 0 HH TYR A 23 98.629 1.264 8.621 1.00 0.00 H new ATOM 369 N TYR A 24 92.946 -4.026 9.793 1.00 0.00 N ATOM 370 CA TYR A 24 91.720 -3.267 9.415 1.00 0.00 C ATOM 371 C TYR A 24 90.945 -2.877 10.675 1.00 0.00 C ATOM 372 O TYR A 24 90.492 -1.758 10.820 1.00 0.00 O ATOM 373 CB TYR A 24 90.906 -4.236 8.553 1.00 0.00 C ATOM 374 CG TYR A 24 91.248 -4.025 7.096 1.00 0.00 C ATOM 375 CD1 TYR A 24 91.258 -2.730 6.564 1.00 0.00 C ATOM 376 CD2 TYR A 24 91.557 -5.121 6.277 1.00 0.00 C ATOM 377 CE1 TYR A 24 91.576 -2.530 5.215 1.00 0.00 C ATOM 378 CE2 TYR A 24 91.875 -4.918 4.929 1.00 0.00 C ATOM 379 CZ TYR A 24 91.884 -3.623 4.398 1.00 0.00 C ATOM 380 OH TYR A 24 92.198 -3.424 3.069 1.00 0.00 O ATOM 0 H TYR A 24 92.930 -5.019 9.559 1.00 0.00 H new ATOM 0 HA TYR A 24 91.944 -2.344 8.880 1.00 0.00 H new ATOM 0 HB2 TYR A 24 91.120 -5.265 8.842 1.00 0.00 H new ATOM 0 HB3 TYR A 24 89.840 -4.075 8.714 1.00 0.00 H new ATOM 0 HD1 TYR A 24 91.021 -1.885 7.194 1.00 0.00 H new ATOM 0 HD2 TYR A 24 91.550 -6.121 6.686 1.00 0.00 H new ATOM 0 HE1 TYR A 24 91.583 -1.531 4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 24 92.114 -5.761 4.298 1.00 0.00 H new ATOM 0 HH TYR A 24 92.387 -4.287 2.645 1.00 0.00 H new ATOM 390 N VAL A 25 90.798 -3.793 11.592 1.00 0.00 N ATOM 391 CA VAL A 25 90.062 -3.480 12.849 1.00 0.00 C ATOM 392 C VAL A 25 90.887 -2.519 13.708 1.00 0.00 C ATOM 393 O VAL A 25 90.358 -1.641 14.360 1.00 0.00 O ATOM 394 CB VAL A 25 89.896 -4.824 13.558 1.00 0.00 C ATOM 395 CG1 VAL A 25 89.044 -4.639 14.815 1.00 0.00 C ATOM 396 CG2 VAL A 25 89.207 -5.814 12.616 1.00 0.00 C ATOM 0 H VAL A 25 91.156 -4.746 11.525 1.00 0.00 H new ATOM 0 HA VAL A 25 89.101 -3.001 12.660 1.00 0.00 H new ATOM 0 HB VAL A 25 90.876 -5.209 13.839 1.00 0.00 H new ATOM 0 HG11 VAL A 25 88.927 -5.598 15.319 1.00 0.00 H new ATOM 0 HG12 VAL A 25 89.534 -3.934 15.486 1.00 0.00 H new ATOM 0 HG13 VAL A 25 88.063 -4.253 14.536 1.00 0.00 H new ATOM 0 HG21 VAL A 25 89.088 -6.773 13.120 1.00 0.00 H new ATOM 0 HG22 VAL A 25 88.227 -5.427 12.335 1.00 0.00 H new ATOM 0 HG23 VAL A 25 89.815 -5.948 11.721 1.00 0.00 H new ATOM 406 N ASN A 26 92.183 -2.677 13.709 1.00 0.00 N ATOM 407 CA ASN A 26 93.045 -1.772 14.521 1.00 0.00 C ATOM 408 C ASN A 26 92.750 -0.313 14.166 1.00 0.00 C ATOM 409 O ASN A 26 92.933 0.581 14.969 1.00 0.00 O ATOM 410 CB ASN A 26 94.478 -2.140 14.137 1.00 0.00 C ATOM 411 CG ASN A 26 95.348 -2.177 15.394 1.00 0.00 C ATOM 412 OD1 ASN A 26 95.034 -2.866 16.344 1.00 0.00 O ATOM 413 ND2 ASN A 26 96.436 -1.458 15.441 1.00 0.00 N ATOM 0 H ASN A 26 92.682 -3.394 13.182 1.00 0.00 H new ATOM 0 HA ASN A 26 92.872 -1.882 15.592 1.00 0.00 H new ATOM 0 HB2 ASN A 26 94.495 -3.110 13.641 1.00 0.00 H new ATOM 0 HB3 ASN A 26 94.874 -1.413 13.428 1.00 0.00 H new ATOM 0 HD21 ASN A 26 97.023 -1.475 16.275 1.00 0.00 H new ATOM 0 HD22 ASN A 26 96.700 -0.879 14.643 1.00 0.00 H new ATOM 420 N GLN A 27 92.287 -0.066 12.971 1.00 0.00 N ATOM 421 CA GLN A 27 91.974 1.328 12.566 1.00 0.00 C ATOM 422 C GLN A 27 90.602 1.721 13.127 1.00 0.00 C ATOM 423 O GLN A 27 90.466 2.696 13.840 1.00 0.00 O ATOM 424 CB GLN A 27 91.975 1.288 11.030 1.00 0.00 C ATOM 425 CG GLN A 27 90.922 2.243 10.466 1.00 0.00 C ATOM 426 CD GLN A 27 91.292 3.682 10.828 1.00 0.00 C ATOM 427 OE1 GLN A 27 91.934 3.923 11.832 1.00 0.00 O ATOM 428 NE2 GLN A 27 90.911 4.658 10.050 1.00 0.00 N ATOM 0 H GLN A 27 92.113 -0.774 12.258 1.00 0.00 H new ATOM 0 HA GLN A 27 92.684 2.065 12.941 1.00 0.00 H new ATOM 0 HB2 GLN A 27 92.961 1.562 10.654 1.00 0.00 H new ATOM 0 HB3 GLN A 27 91.774 0.273 10.687 1.00 0.00 H new ATOM 0 HG2 GLN A 27 90.859 2.134 9.383 1.00 0.00 H new ATOM 0 HG3 GLN A 27 89.939 1.997 10.869 1.00 0.00 H new ATOM 0 HE21 GLN A 27 90.372 4.458 9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 27 91.152 5.621 10.285 1.00 0.00 H new ATOM 437 N PHE A 28 89.586 0.961 12.819 1.00 0.00 N ATOM 438 CA PHE A 28 88.228 1.285 13.345 1.00 0.00 C ATOM 439 C PHE A 28 88.277 1.365 14.872 1.00 0.00 C ATOM 440 O PHE A 28 87.399 1.918 15.505 1.00 0.00 O ATOM 441 CB PHE A 28 87.342 0.123 12.882 1.00 0.00 C ATOM 442 CG PHE A 28 86.022 0.138 13.624 1.00 0.00 C ATOM 443 CD1 PHE A 28 85.971 -0.175 14.989 1.00 0.00 C ATOM 444 CD2 PHE A 28 84.843 0.455 12.938 1.00 0.00 C ATOM 445 CE1 PHE A 28 84.746 -0.169 15.665 1.00 0.00 C ATOM 446 CE2 PHE A 28 83.618 0.460 13.614 1.00 0.00 C ATOM 447 CZ PHE A 28 83.570 0.149 14.978 1.00 0.00 C ATOM 0 H PHE A 28 89.637 0.132 12.227 1.00 0.00 H new ATOM 0 HA PHE A 28 87.850 2.243 12.988 1.00 0.00 H new ATOM 0 HB2 PHE A 28 87.164 0.198 11.809 1.00 0.00 H new ATOM 0 HB3 PHE A 28 87.853 -0.824 13.055 1.00 0.00 H new ATOM 0 HD1 PHE A 28 86.879 -0.421 15.520 1.00 0.00 H new ATOM 0 HD2 PHE A 28 84.879 0.696 11.886 1.00 0.00 H new ATOM 0 HE1 PHE A 28 84.709 -0.410 16.717 1.00 0.00 H new ATOM 0 HE2 PHE A 28 82.709 0.704 13.083 1.00 0.00 H new ATOM 0 HZ PHE A 28 82.625 0.155 15.500 1.00 0.00 H new ATOM 457 N ARG A 29 89.299 0.814 15.469 1.00 0.00 N ATOM 458 CA ARG A 29 89.411 0.853 16.955 1.00 0.00 C ATOM 459 C ARG A 29 89.784 2.263 17.422 1.00 0.00 C ATOM 460 O ARG A 29 89.220 2.780 18.366 1.00 0.00 O ATOM 461 CB ARG A 29 90.525 -0.137 17.294 1.00 0.00 C ATOM 462 CG ARG A 29 90.234 -0.791 18.644 1.00 0.00 C ATOM 463 CD ARG A 29 90.724 -2.241 18.624 1.00 0.00 C ATOM 464 NE ARG A 29 92.159 -2.166 19.014 1.00 0.00 N ATOM 465 CZ ARG A 29 92.527 -2.510 20.218 1.00 0.00 C ATOM 466 NH1 ARG A 29 92.293 -3.718 20.651 1.00 0.00 N ATOM 467 NH2 ARG A 29 93.128 -1.644 20.988 1.00 0.00 N ATOM 0 H ARG A 29 90.063 0.337 14.990 1.00 0.00 H new ATOM 0 HA ARG A 29 88.473 0.595 17.446 1.00 0.00 H new ATOM 0 HB2 ARG A 29 90.598 -0.898 16.517 1.00 0.00 H new ATOM 0 HB3 ARG A 29 91.485 0.377 17.327 1.00 0.00 H new ATOM 0 HG2 ARG A 29 90.730 -0.239 19.442 1.00 0.00 H new ATOM 0 HG3 ARG A 29 89.165 -0.760 18.852 1.00 0.00 H new ATOM 0 HD2 ARG A 29 90.157 -2.859 19.320 1.00 0.00 H new ATOM 0 HD3 ARG A 29 90.606 -2.684 17.635 1.00 0.00 H new ATOM 0 HE ARG A 29 92.855 -1.846 18.340 1.00 0.00 H new ATOM 0 HH11 ARG A 29 91.823 -4.393 20.049 1.00 0.00 H new ATOM 0 HH12 ARG A 29 92.581 -3.987 21.592 1.00 0.00 H new ATOM 0 HH21 ARG A 29 93.310 -0.699 20.649 1.00 0.00 H new ATOM 0 HH22 ARG A 29 93.416 -1.912 21.929 1.00 0.00 H new ATOM 481 N SER A 30 90.727 2.887 16.769 1.00 0.00 N ATOM 482 CA SER A 30 91.127 4.263 17.180 1.00 0.00 C ATOM 483 C SER A 30 89.880 5.096 17.478 1.00 0.00 C ATOM 484 O SER A 30 89.860 5.904 18.385 1.00 0.00 O ATOM 485 CB SER A 30 91.879 4.835 15.980 1.00 0.00 C ATOM 486 OG SER A 30 93.184 4.272 15.932 1.00 0.00 O ATOM 0 H SER A 30 91.236 2.505 15.972 1.00 0.00 H new ATOM 0 HA SER A 30 91.742 4.267 18.080 1.00 0.00 H new ATOM 0 HB2 SER A 30 91.340 4.613 15.059 1.00 0.00 H new ATOM 0 HB3 SER A 30 91.941 5.920 16.059 1.00 0.00 H new ATOM 0 HG SER A 30 93.669 4.636 15.162 1.00 0.00 H new ATOM 492 N LEU A 31 88.836 4.896 16.723 1.00 0.00 N ATOM 493 CA LEU A 31 87.585 5.665 16.960 1.00 0.00 C ATOM 494 C LEU A 31 86.668 4.884 17.906 1.00 0.00 C ATOM 495 O LEU A 31 85.930 5.455 18.683 1.00 0.00 O ATOM 496 CB LEU A 31 86.942 5.812 15.580 1.00 0.00 C ATOM 497 CG LEU A 31 87.958 6.403 14.602 1.00 0.00 C ATOM 498 CD1 LEU A 31 87.535 6.084 13.168 1.00 0.00 C ATOM 499 CD2 LEU A 31 88.019 7.922 14.789 1.00 0.00 C ATOM 0 H LEU A 31 88.796 4.231 15.950 1.00 0.00 H new ATOM 0 HA LEU A 31 87.770 6.634 17.422 1.00 0.00 H new ATOM 0 HB2 LEU A 31 86.599 4.841 15.222 1.00 0.00 H new ATOM 0 HB3 LEU A 31 86.065 6.456 15.643 1.00 0.00 H new ATOM 0 HG LEU A 31 88.940 5.971 14.794 1.00 0.00 H new ATOM 0 HD11 LEU A 31 88.260 6.506 12.472 1.00 0.00 H new ATOM 0 HD12 LEU A 31 87.490 5.003 13.034 1.00 0.00 H new ATOM 0 HD13 LEU A 31 86.553 6.515 12.974 1.00 0.00 H new ATOM 0 HD21 LEU A 31 88.743 8.346 14.093 1.00 0.00 H new ATOM 0 HD22 LEU A 31 87.036 8.352 14.597 1.00 0.00 H new ATOM 0 HD23 LEU A 31 88.322 8.151 15.811 1.00 0.00 H new ATOM 511 N GLN A 32 86.713 3.580 17.845 1.00 0.00 N ATOM 512 CA GLN A 32 85.851 2.760 18.739 1.00 0.00 C ATOM 513 C GLN A 32 86.708 1.794 19.563 1.00 0.00 C ATOM 514 O GLN A 32 87.125 0.763 19.074 1.00 0.00 O ATOM 515 CB GLN A 32 84.923 1.987 17.802 1.00 0.00 C ATOM 516 CG GLN A 32 83.469 2.357 18.102 1.00 0.00 C ATOM 517 CD GLN A 32 83.303 3.876 18.030 1.00 0.00 C ATOM 518 OE1 GLN A 32 84.140 4.565 17.482 1.00 0.00 O ATOM 519 NE2 GLN A 32 82.250 4.431 18.563 1.00 0.00 N ATOM 0 H GLN A 32 87.311 3.048 17.213 1.00 0.00 H new ATOM 0 HA GLN A 32 85.294 3.373 19.447 1.00 0.00 H new ATOM 0 HB2 GLN A 32 85.161 2.219 16.764 1.00 0.00 H new ATOM 0 HB3 GLN A 32 85.070 0.915 17.931 1.00 0.00 H new ATOM 0 HG2 GLN A 32 82.805 1.874 17.386 1.00 0.00 H new ATOM 0 HG3 GLN A 32 83.188 1.996 19.091 1.00 0.00 H new ATOM 0 HE21 GLN A 32 81.547 3.853 19.023 1.00 0.00 H new ATOM 0 HE22 GLN A 32 82.130 5.443 18.520 1.00 0.00 H new ATOM 528 N PRO A 33 86.942 2.165 20.791 1.00 0.00 N ATOM 529 CA PRO A 33 87.760 1.323 21.699 1.00 0.00 C ATOM 530 C PRO A 33 87.170 -0.085 21.799 1.00 0.00 C ATOM 531 O PRO A 33 87.881 -1.070 21.799 1.00 0.00 O ATOM 532 CB PRO A 33 87.680 2.042 23.046 1.00 0.00 C ATOM 533 CG PRO A 33 87.245 3.440 22.732 1.00 0.00 C ATOM 534 CD PRO A 33 86.471 3.391 21.442 1.00 0.00 C ATOM 0 HA PRO A 33 88.786 1.201 21.352 1.00 0.00 H new ATOM 0 HB2 PRO A 33 86.970 1.551 23.711 1.00 0.00 H new ATOM 0 HB3 PRO A 33 88.646 2.036 23.551 1.00 0.00 H new ATOM 0 HG2 PRO A 33 86.627 3.839 23.536 1.00 0.00 H new ATOM 0 HG3 PRO A 33 88.108 4.099 22.637 1.00 0.00 H new ATOM 0 HD2 PRO A 33 85.396 3.359 21.622 1.00 0.00 H new ATOM 0 HD3 PRO A 33 86.665 4.269 20.827 1.00 0.00 H new ATOM 542 N ASP A 34 85.874 -0.185 21.884 1.00 0.00 N ATOM 543 CA ASP A 34 85.233 -1.528 21.984 1.00 0.00 C ATOM 544 C ASP A 34 85.264 -2.234 20.624 1.00 0.00 C ATOM 545 O ASP A 34 84.645 -1.784 19.680 1.00 0.00 O ATOM 546 CB ASP A 34 83.792 -1.247 22.410 1.00 0.00 C ATOM 547 CG ASP A 34 83.222 -2.474 23.124 1.00 0.00 C ATOM 548 OD1 ASP A 34 84.004 -3.225 23.684 1.00 0.00 O ATOM 549 OD2 ASP A 34 82.014 -2.641 23.101 1.00 0.00 O ATOM 0 H ASP A 34 85.229 0.605 21.889 1.00 0.00 H new ATOM 0 HA ASP A 34 85.748 -2.180 22.690 1.00 0.00 H new ATOM 0 HB2 ASP A 34 83.759 -0.381 23.071 1.00 0.00 H new ATOM 0 HB3 ASP A 34 83.184 -1.006 21.538 1.00 0.00 H new ATOM 554 N PRO A 35 85.988 -3.321 20.571 1.00 0.00 N ATOM 555 CA PRO A 35 86.102 -4.098 19.312 1.00 0.00 C ATOM 556 C PRO A 35 84.731 -4.640 18.897 1.00 0.00 C ATOM 557 O PRO A 35 84.517 -5.004 17.757 1.00 0.00 O ATOM 558 CB PRO A 35 87.054 -5.243 19.662 1.00 0.00 C ATOM 559 CG PRO A 35 87.102 -5.293 21.157 1.00 0.00 C ATOM 560 CD PRO A 35 86.758 -3.918 21.664 1.00 0.00 C ATOM 0 HA PRO A 35 86.464 -3.498 18.477 1.00 0.00 H new ATOM 0 HB2 PRO A 35 86.697 -6.187 19.251 1.00 0.00 H new ATOM 0 HB3 PRO A 35 88.046 -5.068 19.245 1.00 0.00 H new ATOM 0 HG2 PRO A 35 86.397 -6.031 21.539 1.00 0.00 H new ATOM 0 HG3 PRO A 35 88.093 -5.592 21.500 1.00 0.00 H new ATOM 0 HD2 PRO A 35 86.175 -3.966 22.584 1.00 0.00 H new ATOM 0 HD3 PRO A 35 87.654 -3.338 21.885 1.00 0.00 H new ATOM 568 N SER A 36 83.803 -4.698 19.812 1.00 0.00 N ATOM 569 CA SER A 36 82.449 -5.220 19.466 1.00 0.00 C ATOM 570 C SER A 36 81.424 -4.082 19.490 1.00 0.00 C ATOM 571 O SER A 36 80.473 -4.109 20.245 1.00 0.00 O ATOM 572 CB SER A 36 82.133 -6.248 20.551 1.00 0.00 C ATOM 573 OG SER A 36 82.400 -5.683 21.828 1.00 0.00 O ATOM 0 H SER A 36 83.922 -4.407 20.782 1.00 0.00 H new ATOM 0 HA SER A 36 82.416 -5.657 18.468 1.00 0.00 H new ATOM 0 HB2 SER A 36 81.088 -6.552 20.487 1.00 0.00 H new ATOM 0 HB3 SER A 36 82.735 -7.145 20.405 1.00 0.00 H new ATOM 0 HG SER A 36 82.196 -6.340 22.526 1.00 0.00 H new ATOM 579 N SER A 37 81.610 -3.084 18.670 1.00 0.00 N ATOM 580 CA SER A 37 80.642 -1.949 18.653 1.00 0.00 C ATOM 581 C SER A 37 80.554 -1.341 17.249 1.00 0.00 C ATOM 582 O SER A 37 81.235 -1.758 16.334 1.00 0.00 O ATOM 583 CB SER A 37 81.208 -0.931 19.642 1.00 0.00 C ATOM 584 OG SER A 37 82.290 -0.237 19.035 1.00 0.00 O ATOM 0 H SER A 37 82.387 -3.005 18.013 1.00 0.00 H new ATOM 0 HA SER A 37 79.634 -2.265 18.923 1.00 0.00 H new ATOM 0 HB2 SER A 37 80.431 -0.227 19.941 1.00 0.00 H new ATOM 0 HB3 SER A 37 81.547 -1.436 20.547 1.00 0.00 H new ATOM 0 HG SER A 37 83.125 -0.721 19.205 1.00 0.00 H new ATOM 590 N PHE A 38 79.715 -0.356 17.078 1.00 0.00 N ATOM 591 CA PHE A 38 79.568 0.290 15.741 1.00 0.00 C ATOM 592 C PHE A 38 79.964 1.769 15.827 1.00 0.00 C ATOM 593 O PHE A 38 79.691 2.435 16.806 1.00 0.00 O ATOM 594 CB PHE A 38 78.080 0.162 15.413 1.00 0.00 C ATOM 595 CG PHE A 38 77.270 0.932 16.427 1.00 0.00 C ATOM 596 CD1 PHE A 38 77.015 2.295 16.233 1.00 0.00 C ATOM 597 CD2 PHE A 38 76.771 0.280 17.561 1.00 0.00 C ATOM 598 CE1 PHE A 38 76.261 3.006 17.176 1.00 0.00 C ATOM 599 CE2 PHE A 38 76.018 0.991 18.502 1.00 0.00 C ATOM 600 CZ PHE A 38 75.763 2.354 18.310 1.00 0.00 C ATOM 0 H PHE A 38 79.121 0.032 17.811 1.00 0.00 H new ATOM 0 HA PHE A 38 80.202 -0.170 14.983 1.00 0.00 H new ATOM 0 HB2 PHE A 38 77.884 0.543 14.411 1.00 0.00 H new ATOM 0 HB3 PHE A 38 77.785 -0.887 15.418 1.00 0.00 H new ATOM 0 HD1 PHE A 38 77.399 2.798 15.358 1.00 0.00 H new ATOM 0 HD2 PHE A 38 76.967 -0.772 17.709 1.00 0.00 H new ATOM 0 HE1 PHE A 38 76.064 4.057 17.028 1.00 0.00 H new ATOM 0 HE2 PHE A 38 75.633 0.488 19.377 1.00 0.00 H new ATOM 0 HZ PHE A 38 75.182 2.902 19.037 1.00 0.00 H new ATOM 610 N ILE A 39 80.598 2.292 14.813 1.00 0.00 N ATOM 611 CA ILE A 39 80.996 3.730 14.845 1.00 0.00 C ATOM 612 C ILE A 39 79.864 4.591 14.277 1.00 0.00 C ATOM 613 O ILE A 39 79.043 4.128 13.512 1.00 0.00 O ATOM 614 CB ILE A 39 82.240 3.815 13.957 1.00 0.00 C ATOM 615 CG1 ILE A 39 83.465 3.361 14.755 1.00 0.00 C ATOM 616 CG2 ILE A 39 82.451 5.257 13.487 1.00 0.00 C ATOM 617 CD1 ILE A 39 84.634 3.118 13.800 1.00 0.00 C ATOM 0 H ILE A 39 80.858 1.788 13.965 1.00 0.00 H new ATOM 0 HA ILE A 39 81.197 4.089 15.854 1.00 0.00 H new ATOM 0 HB ILE A 39 82.103 3.171 13.089 1.00 0.00 H new ATOM 0 HG12 ILE A 39 83.734 4.119 15.491 1.00 0.00 H new ATOM 0 HG13 ILE A 39 83.236 2.449 15.306 1.00 0.00 H new ATOM 0 HG21 ILE A 39 83.338 5.308 12.856 1.00 0.00 H new ATOM 0 HG22 ILE A 39 81.581 5.585 12.918 1.00 0.00 H new ATOM 0 HG23 ILE A 39 82.584 5.906 14.353 1.00 0.00 H new ATOM 0 HD11 ILE A 39 85.506 2.795 14.368 1.00 0.00 H new ATOM 0 HD12 ILE A 39 84.362 2.345 13.081 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.868 4.041 13.269 1.00 0.00 H new ATOM 629 N SER A 40 79.813 5.839 14.648 1.00 0.00 N ATOM 630 CA SER A 40 78.729 6.721 14.130 1.00 0.00 C ATOM 631 C SER A 40 78.790 6.808 12.602 1.00 0.00 C ATOM 632 O SER A 40 79.669 6.256 11.972 1.00 0.00 O ATOM 633 CB SER A 40 78.996 8.088 14.756 1.00 0.00 C ATOM 634 OG SER A 40 77.898 8.447 15.584 1.00 0.00 O ATOM 0 H SER A 40 80.472 6.286 15.285 1.00 0.00 H new ATOM 0 HA SER A 40 77.739 6.342 14.382 1.00 0.00 H new ATOM 0 HB2 SER A 40 79.914 8.059 15.342 1.00 0.00 H new ATOM 0 HB3 SER A 40 79.139 8.836 13.976 1.00 0.00 H new ATOM 0 HG SER A 40 78.067 9.323 15.989 1.00 0.00 H new ATOM 640 N GLY A 41 77.861 7.504 12.006 1.00 0.00 N ATOM 641 CA GLY A 41 77.859 7.638 10.523 1.00 0.00 C ATOM 642 C GLY A 41 78.680 8.865 10.133 1.00 0.00 C ATOM 643 O GLY A 41 79.545 8.801 9.284 1.00 0.00 O ATOM 0 H GLY A 41 77.101 7.987 12.485 1.00 0.00 H new ATOM 0 HA2 GLY A 41 78.278 6.743 10.064 1.00 0.00 H new ATOM 0 HA3 GLY A 41 76.838 7.736 10.155 1.00 0.00 H new ATOM 647 N SER A 42 78.422 9.981 10.759 1.00 0.00 N ATOM 648 CA SER A 42 79.198 11.210 10.436 1.00 0.00 C ATOM 649 C SER A 42 80.592 11.107 11.054 1.00 0.00 C ATOM 650 O SER A 42 81.546 11.677 10.564 1.00 0.00 O ATOM 651 CB SER A 42 78.410 12.357 11.067 1.00 0.00 C ATOM 652 OG SER A 42 77.768 13.106 10.044 1.00 0.00 O ATOM 0 H SER A 42 77.708 10.094 11.479 1.00 0.00 H new ATOM 0 HA SER A 42 79.327 11.357 9.364 1.00 0.00 H new ATOM 0 HB2 SER A 42 77.670 11.964 11.765 1.00 0.00 H new ATOM 0 HB3 SER A 42 79.078 13.000 11.640 1.00 0.00 H new ATOM 0 HG SER A 42 77.260 13.841 10.446 1.00 0.00 H new ATOM 658 N VAL A 43 80.717 10.373 12.127 1.00 0.00 N ATOM 659 CA VAL A 43 82.047 10.219 12.775 1.00 0.00 C ATOM 660 C VAL A 43 82.983 9.439 11.850 1.00 0.00 C ATOM 661 O VAL A 43 84.101 9.841 11.598 1.00 0.00 O ATOM 662 CB VAL A 43 81.774 9.430 14.055 1.00 0.00 C ATOM 663 CG1 VAL A 43 83.081 8.835 14.583 1.00 0.00 C ATOM 664 CG2 VAL A 43 81.175 10.362 15.111 1.00 0.00 C ATOM 0 H VAL A 43 79.953 9.873 12.582 1.00 0.00 H new ATOM 0 HA VAL A 43 82.525 11.176 12.985 1.00 0.00 H new ATOM 0 HB VAL A 43 81.072 8.624 13.839 1.00 0.00 H new ATOM 0 HG11 VAL A 43 82.882 8.273 15.496 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.507 8.169 13.832 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.786 9.638 14.798 1.00 0.00 H new ATOM 0 HG21 VAL A 43 80.980 9.800 16.024 1.00 0.00 H new ATOM 0 HG22 VAL A 43 81.876 11.169 15.324 1.00 0.00 H new ATOM 0 HG23 VAL A 43 80.241 10.782 14.738 1.00 0.00 H new ATOM 674 N ALA A 44 82.530 8.327 11.339 1.00 0.00 N ATOM 675 CA ALA A 44 83.395 7.527 10.424 1.00 0.00 C ATOM 676 C ALA A 44 83.550 8.259 9.091 1.00 0.00 C ATOM 677 O ALA A 44 84.627 8.333 8.537 1.00 0.00 O ATOM 678 CB ALA A 44 82.656 6.202 10.232 1.00 0.00 C ATOM 0 H ALA A 44 81.603 7.939 11.514 1.00 0.00 H new ATOM 0 HA ALA A 44 84.397 7.372 10.824 1.00 0.00 H new ATOM 0 HB1 ALA A 44 83.232 5.557 9.568 1.00 0.00 H new ATOM 0 HB2 ALA A 44 82.532 5.711 11.197 1.00 0.00 H new ATOM 0 HB3 ALA A 44 81.676 6.392 9.793 1.00 0.00 H new ATOM 684 N LYS A 45 82.487 8.819 8.580 1.00 0.00 N ATOM 685 CA LYS A 45 82.593 9.564 7.293 1.00 0.00 C ATOM 686 C LYS A 45 83.455 10.809 7.508 1.00 0.00 C ATOM 687 O LYS A 45 83.877 11.460 6.572 1.00 0.00 O ATOM 688 CB LYS A 45 81.158 9.953 6.935 1.00 0.00 C ATOM 689 CG LYS A 45 80.463 8.772 6.256 1.00 0.00 C ATOM 690 CD LYS A 45 79.392 9.290 5.293 1.00 0.00 C ATOM 691 CE LYS A 45 78.166 9.744 6.089 1.00 0.00 C ATOM 692 NZ LYS A 45 77.441 10.676 5.181 1.00 0.00 N ATOM 0 H LYS A 45 81.556 8.793 8.995 1.00 0.00 H new ATOM 0 HA LYS A 45 83.053 8.977 6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.613 10.241 7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 45 81.159 10.818 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.193 8.170 5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.009 8.124 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 45 79.786 10.120 4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 45 79.112 8.507 4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 45 77.540 8.896 6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 45 78.458 10.241 7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 76.587 11.030 5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 78.060 11.476 4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 77.170 10.173 4.312 1.00 0.00 H new ATOM 706 N ASN A 46 83.720 11.138 8.745 1.00 0.00 N ATOM 707 CA ASN A 46 84.556 12.332 9.047 1.00 0.00 C ATOM 708 C ASN A 46 85.989 12.104 8.565 1.00 0.00 C ATOM 709 O ASN A 46 86.474 12.778 7.678 1.00 0.00 O ATOM 710 CB ASN A 46 84.525 12.445 10.570 1.00 0.00 C ATOM 711 CG ASN A 46 84.667 13.912 10.981 1.00 0.00 C ATOM 712 OD1 ASN A 46 83.683 14.595 11.182 1.00 0.00 O ATOM 713 ND2 ASN A 46 85.857 14.428 11.113 1.00 0.00 N ATOM 0 H ASN A 46 83.390 10.626 9.563 1.00 0.00 H new ATOM 0 HA ASN A 46 84.191 13.233 8.555 1.00 0.00 H new ATOM 0 HB2 ASN A 46 83.590 12.038 10.956 1.00 0.00 H new ATOM 0 HB3 ASN A 46 85.332 11.856 11.005 1.00 0.00 H new ATOM 0 HD21 ASN A 46 85.962 15.405 11.385 1.00 0.00 H new ATOM 0 HD22 ASN A 46 86.683 13.854 10.944 1.00 0.00 H new ATOM 720 N PHE A 47 86.668 11.157 9.149 1.00 0.00 N ATOM 721 CA PHE A 47 88.070 10.881 8.735 1.00 0.00 C ATOM 722 C PHE A 47 88.083 10.122 7.400 1.00 0.00 C ATOM 723 O PHE A 47 88.989 10.269 6.605 1.00 0.00 O ATOM 724 CB PHE A 47 88.659 10.056 9.891 1.00 0.00 C ATOM 725 CG PHE A 47 88.556 8.576 9.615 1.00 0.00 C ATOM 726 CD1 PHE A 47 89.506 7.946 8.803 1.00 0.00 C ATOM 727 CD2 PHE A 47 87.515 7.836 10.182 1.00 0.00 C ATOM 728 CE1 PHE A 47 89.412 6.572 8.559 1.00 0.00 C ATOM 729 CE2 PHE A 47 87.421 6.464 9.941 1.00 0.00 C ATOM 730 CZ PHE A 47 88.370 5.830 9.128 1.00 0.00 C ATOM 0 H PHE A 47 86.311 10.562 9.896 1.00 0.00 H new ATOM 0 HA PHE A 47 88.658 11.783 8.563 1.00 0.00 H new ATOM 0 HB2 PHE A 47 89.704 10.329 10.040 1.00 0.00 H new ATOM 0 HB3 PHE A 47 88.133 10.293 10.815 1.00 0.00 H new ATOM 0 HD1 PHE A 47 90.310 8.520 8.366 1.00 0.00 H new ATOM 0 HD2 PHE A 47 86.783 8.326 10.807 1.00 0.00 H new ATOM 0 HE1 PHE A 47 90.143 6.084 7.932 1.00 0.00 H new ATOM 0 HE2 PHE A 47 86.618 5.892 10.381 1.00 0.00 H new ATOM 0 HZ PHE A 47 88.298 4.769 8.940 1.00 0.00 H new ATOM 740 N PHE A 48 87.075 9.329 7.142 1.00 0.00 N ATOM 741 CA PHE A 48 87.023 8.584 5.849 1.00 0.00 C ATOM 742 C PHE A 48 87.441 9.514 4.707 1.00 0.00 C ATOM 743 O PHE A 48 88.353 9.228 3.958 1.00 0.00 O ATOM 744 CB PHE A 48 85.556 8.179 5.684 1.00 0.00 C ATOM 745 CG PHE A 48 85.349 6.770 6.186 1.00 0.00 C ATOM 746 CD1 PHE A 48 86.093 6.300 7.271 1.00 0.00 C ATOM 747 CD2 PHE A 48 84.407 5.937 5.569 1.00 0.00 C ATOM 748 CE1 PHE A 48 85.899 4.996 7.740 1.00 0.00 C ATOM 749 CE2 PHE A 48 84.213 4.632 6.039 1.00 0.00 C ATOM 750 CZ PHE A 48 84.960 4.161 7.125 1.00 0.00 C ATOM 0 H PHE A 48 86.288 9.166 7.769 1.00 0.00 H new ATOM 0 HA PHE A 48 87.689 7.722 5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 48 84.916 8.868 6.235 1.00 0.00 H new ATOM 0 HB3 PHE A 48 85.268 8.246 4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 48 86.818 6.943 7.748 1.00 0.00 H new ATOM 0 HD2 PHE A 48 83.831 6.301 4.731 1.00 0.00 H new ATOM 0 HE1 PHE A 48 86.475 4.633 8.578 1.00 0.00 H new ATOM 0 HE2 PHE A 48 83.487 3.989 5.564 1.00 0.00 H new ATOM 0 HZ PHE A 48 84.812 3.155 7.488 1.00 0.00 H new ATOM 760 N THR A 49 86.775 10.629 4.580 1.00 0.00 N ATOM 761 CA THR A 49 87.117 11.593 3.500 1.00 0.00 C ATOM 762 C THR A 49 87.795 12.828 4.098 1.00 0.00 C ATOM 763 O THR A 49 87.297 13.933 3.999 1.00 0.00 O ATOM 764 CB THR A 49 85.773 11.968 2.875 1.00 0.00 C ATOM 765 OG1 THR A 49 85.976 12.970 1.891 1.00 0.00 O ATOM 766 CG2 THR A 49 84.835 12.499 3.961 1.00 0.00 C ATOM 0 H THR A 49 86.003 10.914 5.183 1.00 0.00 H new ATOM 0 HA THR A 49 87.807 11.175 2.767 1.00 0.00 H new ATOM 0 HB THR A 49 85.327 11.088 2.412 1.00 0.00 H new ATOM 0 HG1 THR A 49 86.336 13.777 2.315 1.00 0.00 H new ATOM 0 HG21 THR A 49 83.877 12.766 3.515 1.00 0.00 H new ATOM 0 HG22 THR A 49 84.681 11.729 4.717 1.00 0.00 H new ATOM 0 HG23 THR A 49 85.278 13.380 4.425 1.00 0.00 H new ATOM 907 N LEU A 58 82.962 10.528 -2.553 1.00 0.00 N ATOM 908 CA LEU A 58 82.975 9.427 -1.548 1.00 0.00 C ATOM 909 C LEU A 58 81.545 9.007 -1.200 1.00 0.00 C ATOM 910 O LEU A 58 81.322 8.192 -0.327 1.00 0.00 O ATOM 911 CB LEU A 58 83.676 10.018 -0.325 1.00 0.00 C ATOM 912 CG LEU A 58 85.150 9.610 -0.336 1.00 0.00 C ATOM 913 CD1 LEU A 58 86.033 10.857 -0.262 1.00 0.00 C ATOM 914 CD2 LEU A 58 85.438 8.707 0.866 1.00 0.00 C ATOM 0 HA LEU A 58 83.482 8.536 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 58 83.588 11.104 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 58 83.197 9.665 0.588 1.00 0.00 H new ATOM 0 HG LEU A 58 85.367 9.071 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 58 87.082 10.561 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 58 85.830 11.498 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 58 85.817 11.402 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 58 86.488 8.416 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 58 85.217 9.246 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 58 84.814 7.815 0.809 1.00 0.00 H new ATOM 926 N SER A 59 80.573 9.556 -1.878 1.00 0.00 N ATOM 927 CA SER A 59 79.157 9.186 -1.588 1.00 0.00 C ATOM 928 C SER A 59 78.931 7.701 -1.880 1.00 0.00 C ATOM 929 O SER A 59 78.197 7.027 -1.185 1.00 0.00 O ATOM 930 CB SER A 59 78.321 10.052 -2.527 1.00 0.00 C ATOM 931 OG SER A 59 77.022 10.222 -1.979 1.00 0.00 O ATOM 0 H SER A 59 80.698 10.245 -2.620 1.00 0.00 H new ATOM 0 HA SER A 59 78.892 9.348 -0.543 1.00 0.00 H new ATOM 0 HB2 SER A 59 78.799 11.022 -2.667 1.00 0.00 H new ATOM 0 HB3 SER A 59 78.255 9.584 -3.509 1.00 0.00 H new ATOM 0 HG SER A 59 76.484 10.779 -2.579 1.00 0.00 H new ATOM 937 N TYR A 60 79.556 7.185 -2.903 1.00 0.00 N ATOM 938 CA TYR A 60 79.373 5.744 -3.231 1.00 0.00 C ATOM 939 C TYR A 60 80.163 4.880 -2.242 1.00 0.00 C ATOM 940 O TYR A 60 79.808 3.751 -1.966 1.00 0.00 O ATOM 941 CB TYR A 60 79.899 5.591 -4.664 1.00 0.00 C ATOM 942 CG TYR A 60 81.404 5.460 -4.663 1.00 0.00 C ATOM 943 CD1 TYR A 60 81.999 4.224 -4.383 1.00 0.00 C ATOM 944 CD2 TYR A 60 82.203 6.573 -4.949 1.00 0.00 C ATOM 945 CE1 TYR A 60 83.393 4.101 -4.390 1.00 0.00 C ATOM 946 CE2 TYR A 60 83.598 6.450 -4.956 1.00 0.00 C ATOM 947 CZ TYR A 60 84.193 5.213 -4.677 1.00 0.00 C ATOM 948 OH TYR A 60 85.566 5.091 -4.687 1.00 0.00 O ATOM 0 H TYR A 60 80.183 7.697 -3.523 1.00 0.00 H new ATOM 0 HA TYR A 60 78.334 5.422 -3.158 1.00 0.00 H new ATOM 0 HB2 TYR A 60 79.452 4.713 -5.130 1.00 0.00 H new ATOM 0 HB3 TYR A 60 79.603 6.454 -5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 60 81.382 3.366 -4.162 1.00 0.00 H new ATOM 0 HD2 TYR A 60 81.744 7.527 -5.164 1.00 0.00 H new ATOM 0 HE1 TYR A 60 83.852 3.147 -4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 60 84.215 7.309 -5.176 1.00 0.00 H new ATOM 0 HH TYR A 60 85.953 5.695 -4.020 1.00 0.00 H new ATOM 958 N ILE A 61 81.223 5.411 -1.693 1.00 0.00 N ATOM 959 CA ILE A 61 82.023 4.627 -0.709 1.00 0.00 C ATOM 960 C ILE A 61 81.190 4.383 0.549 1.00 0.00 C ATOM 961 O ILE A 61 81.281 3.349 1.179 1.00 0.00 O ATOM 962 CB ILE A 61 83.232 5.508 -0.386 1.00 0.00 C ATOM 963 CG1 ILE A 61 84.166 5.554 -1.598 1.00 0.00 C ATOM 964 CG2 ILE A 61 83.982 4.927 0.815 1.00 0.00 C ATOM 965 CD1 ILE A 61 84.696 4.149 -1.888 1.00 0.00 C ATOM 0 H ILE A 61 81.568 6.352 -1.883 1.00 0.00 H new ATOM 0 HA ILE A 61 82.324 3.654 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 61 82.894 6.517 -0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.633 5.939 -2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 61 84.995 6.234 -1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 61 84.843 5.555 1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 61 83.317 4.894 1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 61 84.321 3.918 0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 61 85.361 4.182 -2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 61 85.245 3.781 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 61 83.861 3.481 -2.099 1.00 0.00 H new ATOM 977 N TRP A 62 80.372 5.331 0.914 1.00 0.00 N ATOM 978 CA TRP A 62 79.523 5.162 2.126 1.00 0.00 C ATOM 979 C TRP A 62 78.278 4.345 1.776 1.00 0.00 C ATOM 980 O TRP A 62 77.811 3.540 2.559 1.00 0.00 O ATOM 981 CB TRP A 62 79.147 6.586 2.541 1.00 0.00 C ATOM 982 CG TRP A 62 77.979 6.548 3.474 1.00 0.00 C ATOM 983 CD1 TRP A 62 76.686 6.654 3.096 1.00 0.00 C ATOM 984 CD2 TRP A 62 77.974 6.400 4.924 1.00 0.00 C ATOM 985 NE1 TRP A 62 75.884 6.578 4.223 1.00 0.00 N ATOM 986 CE2 TRP A 62 76.632 6.421 5.373 1.00 0.00 C ATOM 987 CE3 TRP A 62 78.992 6.250 5.882 1.00 0.00 C ATOM 988 CZ2 TRP A 62 76.313 6.298 6.726 1.00 0.00 C ATOM 989 CZ3 TRP A 62 78.674 6.125 7.245 1.00 0.00 C ATOM 990 CH2 TRP A 62 77.337 6.149 7.665 1.00 0.00 C ATOM 0 H TRP A 62 80.255 6.218 0.424 1.00 0.00 H new ATOM 0 HA TRP A 62 80.033 4.631 2.930 1.00 0.00 H new ATOM 0 HB2 TRP A 62 79.995 7.070 3.025 1.00 0.00 H new ATOM 0 HB3 TRP A 62 78.902 7.179 1.660 1.00 0.00 H new ATOM 0 HD1 TRP A 62 76.335 6.778 2.082 1.00 0.00 H new ATOM 0 HE1 TRP A 62 74.866 6.631 4.205 1.00 0.00 H new ATOM 0 HE3 TRP A 62 80.025 6.231 5.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 75.281 6.318 7.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 79.464 6.010 7.973 1.00 0.00 H new ATOM 0 HH2 TRP A 62 77.098 6.052 8.714 1.00 0.00 H new ATOM 1001 N GLU A 63 77.740 4.536 0.602 1.00 0.00 N ATOM 1002 CA GLU A 63 76.531 3.761 0.203 1.00 0.00 C ATOM 1003 C GLU A 63 76.806 2.264 0.356 1.00 0.00 C ATOM 1004 O GLU A 63 75.920 1.485 0.648 1.00 0.00 O ATOM 1005 CB GLU A 63 76.295 4.118 -1.265 1.00 0.00 C ATOM 1006 CG GLU A 63 74.971 4.874 -1.400 1.00 0.00 C ATOM 1007 CD GLU A 63 73.807 3.907 -1.177 1.00 0.00 C ATOM 1008 OE1 GLU A 63 74.050 2.822 -0.675 1.00 0.00 O ATOM 1009 OE2 GLU A 63 72.691 4.269 -1.512 1.00 0.00 O ATOM 0 H GLU A 63 78.085 5.194 -0.097 1.00 0.00 H new ATOM 0 HA GLU A 63 75.662 3.995 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 63 77.116 4.731 -1.638 1.00 0.00 H new ATOM 0 HB3 GLU A 63 76.273 3.213 -1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 63 74.928 5.686 -0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 63 74.897 5.327 -2.389 1.00 0.00 H new ATOM 1016 N LEU A 64 78.032 1.858 0.167 1.00 0.00 N ATOM 1017 CA LEU A 64 78.370 0.414 0.308 1.00 0.00 C ATOM 1018 C LEU A 64 78.772 0.111 1.754 1.00 0.00 C ATOM 1019 O LEU A 64 78.599 -0.990 2.238 1.00 0.00 O ATOM 1020 CB LEU A 64 79.550 0.188 -0.638 1.00 0.00 C ATOM 1021 CG LEU A 64 79.100 0.421 -2.081 1.00 0.00 C ATOM 1022 CD1 LEU A 64 80.291 0.889 -2.919 1.00 0.00 C ATOM 1023 CD2 LEU A 64 78.551 -0.883 -2.662 1.00 0.00 C ATOM 0 H LEU A 64 78.814 2.465 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 64 77.529 -0.236 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.366 0.865 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 64 79.932 -0.827 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 64 78.321 1.183 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 64 79.970 1.055 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.683 1.819 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.070 0.127 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 64 78.230 -0.717 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 64 79.329 -1.646 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 64 77.701 -1.217 -2.067 1.00 0.00 H new ATOM 1035 N SER A 65 79.302 1.082 2.448 1.00 0.00 N ATOM 1036 CA SER A 65 79.707 0.850 3.864 1.00 0.00 C ATOM 1037 C SER A 65 78.465 0.681 4.741 1.00 0.00 C ATOM 1038 O SER A 65 78.511 0.075 5.792 1.00 0.00 O ATOM 1039 CB SER A 65 80.481 2.105 4.264 1.00 0.00 C ATOM 1040 OG SER A 65 80.491 2.218 5.682 1.00 0.00 O ATOM 0 H SER A 65 79.472 2.024 2.096 1.00 0.00 H new ATOM 0 HA SER A 65 80.307 -0.052 3.983 1.00 0.00 H new ATOM 0 HB2 SER A 65 81.501 2.053 3.884 1.00 0.00 H new ATOM 0 HB3 SER A 65 80.020 2.988 3.820 1.00 0.00 H new ATOM 0 HG SER A 65 80.988 3.021 5.943 1.00 0.00 H new ATOM 1046 N ASP A 66 77.352 1.215 4.314 1.00 0.00 N ATOM 1047 CA ASP A 66 76.104 1.085 5.119 1.00 0.00 C ATOM 1048 C ASP A 66 75.184 0.035 4.497 1.00 0.00 C ATOM 1049 O ASP A 66 75.340 -0.343 3.352 1.00 0.00 O ATOM 1050 CB ASP A 66 75.453 2.468 5.065 1.00 0.00 C ATOM 1051 CG ASP A 66 75.459 3.088 6.463 1.00 0.00 C ATOM 1052 OD1 ASP A 66 76.133 2.550 7.326 1.00 0.00 O ATOM 1053 OD2 ASP A 66 74.789 4.090 6.648 1.00 0.00 O ATOM 0 H ASP A 66 77.254 1.736 3.442 1.00 0.00 H new ATOM 0 HA ASP A 66 76.302 0.768 6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.993 3.109 4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 66 74.431 2.387 4.696 1.00 0.00 H new ATOM 1058 N ALA A 67 74.225 -0.442 5.241 1.00 0.00 N ATOM 1059 CA ALA A 67 73.301 -1.467 4.690 1.00 0.00 C ATOM 1060 C ALA A 67 71.873 -1.219 5.182 1.00 0.00 C ATOM 1061 O ALA A 67 71.008 -2.063 5.056 1.00 0.00 O ATOM 1062 CB ALA A 67 73.830 -2.802 5.217 1.00 0.00 C ATOM 0 H ALA A 67 74.043 -0.165 6.206 1.00 0.00 H new ATOM 0 HA ALA A 67 73.265 -1.445 3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 67 73.199 -3.613 4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 67 74.851 -2.952 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 67 73.817 -2.794 6.307 1.00 0.00 H new ATOM 1068 N ASP A 68 71.617 -0.066 5.741 1.00 0.00 N ATOM 1069 CA ASP A 68 70.243 0.233 6.236 1.00 0.00 C ATOM 1070 C ASP A 68 70.134 1.724 6.533 1.00 0.00 C ATOM 1071 O ASP A 68 69.304 2.160 7.305 1.00 0.00 O ATOM 1072 CB ASP A 68 70.095 -0.586 7.521 1.00 0.00 C ATOM 1073 CG ASP A 68 71.210 -0.212 8.502 1.00 0.00 C ATOM 1074 OD1 ASP A 68 72.198 0.353 8.061 1.00 0.00 O ATOM 1075 OD2 ASP A 68 71.057 -0.500 9.676 1.00 0.00 O ATOM 0 H ASP A 68 72.299 0.680 5.876 1.00 0.00 H new ATOM 0 HA ASP A 68 69.467 -0.017 5.513 1.00 0.00 H new ATOM 0 HB2 ASP A 68 69.121 -0.398 7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 68 70.140 -1.651 7.292 1.00 0.00 H new ATOM 1080 N CYS A 69 70.987 2.499 5.923 1.00 0.00 N ATOM 1081 CA CYS A 69 70.988 3.963 6.145 1.00 0.00 C ATOM 1082 C CYS A 69 70.667 4.279 7.605 1.00 0.00 C ATOM 1083 O CYS A 69 70.083 5.297 7.922 1.00 0.00 O ATOM 1084 CB CYS A 69 69.911 4.521 5.214 1.00 0.00 C ATOM 1085 SG CYS A 69 70.044 6.325 5.148 1.00 0.00 S ATOM 0 H CYS A 69 71.695 2.168 5.268 1.00 0.00 H new ATOM 0 HA CYS A 69 71.961 4.407 5.936 1.00 0.00 H new ATOM 0 HB2 CYS A 69 70.026 4.101 4.215 1.00 0.00 H new ATOM 0 HB3 CYS A 69 68.922 4.232 5.570 1.00 0.00 H new ATOM 0 HG CYS A 69 70.171 6.795 6.353 1.00 0.00 H new ATOM 1091 N ASP A 70 71.048 3.409 8.494 1.00 0.00 N ATOM 1092 CA ASP A 70 70.772 3.648 9.939 1.00 0.00 C ATOM 1093 C ASP A 70 71.689 4.750 10.472 1.00 0.00 C ATOM 1094 O ASP A 70 71.508 5.248 11.566 1.00 0.00 O ATOM 1095 CB ASP A 70 71.077 2.317 10.628 1.00 0.00 C ATOM 1096 CG ASP A 70 72.590 2.090 10.655 1.00 0.00 C ATOM 1097 OD1 ASP A 70 73.180 2.035 9.589 1.00 0.00 O ATOM 1098 OD2 ASP A 70 73.133 1.975 11.743 1.00 0.00 O ATOM 0 H ASP A 70 71.540 2.540 8.284 1.00 0.00 H new ATOM 0 HA ASP A 70 69.746 3.971 10.117 1.00 0.00 H new ATOM 0 HB2 ASP A 70 70.681 2.322 11.644 1.00 0.00 H new ATOM 0 HB3 ASP A 70 70.586 1.501 10.099 1.00 0.00 H new ATOM 1103 N GLY A 71 72.675 5.133 9.708 1.00 0.00 N ATOM 1104 CA GLY A 71 73.605 6.201 10.172 1.00 0.00 C ATOM 1105 C GLY A 71 74.757 5.567 10.955 1.00 0.00 C ATOM 1106 O GLY A 71 75.878 6.032 10.912 1.00 0.00 O ATOM 0 H GLY A 71 72.877 4.753 8.783 1.00 0.00 H new ATOM 0 HA2 GLY A 71 73.993 6.757 9.318 1.00 0.00 H new ATOM 0 HA3 GLY A 71 73.072 6.914 10.801 1.00 0.00 H new ATOM 1110 N ALA A 72 74.489 4.507 11.668 1.00 0.00 N ATOM 1111 CA ALA A 72 75.563 3.843 12.450 1.00 0.00 C ATOM 1112 C ALA A 72 76.126 2.659 11.662 1.00 0.00 C ATOM 1113 O ALA A 72 75.498 2.147 10.755 1.00 0.00 O ATOM 1114 CB ALA A 72 74.882 3.363 13.732 1.00 0.00 C ATOM 0 H ALA A 72 73.569 4.073 11.741 1.00 0.00 H new ATOM 0 HA ALA A 72 76.398 4.511 12.662 1.00 0.00 H new ATOM 0 HB1 ALA A 72 75.612 2.860 14.366 1.00 0.00 H new ATOM 0 HB2 ALA A 72 74.467 4.218 14.265 1.00 0.00 H new ATOM 0 HB3 ALA A 72 74.081 2.668 13.480 1.00 0.00 H new ATOM 1120 N LEU A 73 77.304 2.224 12.000 1.00 0.00 N ATOM 1121 CA LEU A 73 77.914 1.075 11.272 1.00 0.00 C ATOM 1122 C LEU A 73 78.611 0.134 12.255 1.00 0.00 C ATOM 1123 O LEU A 73 79.467 0.540 13.012 1.00 0.00 O ATOM 1124 CB LEU A 73 78.942 1.702 10.330 1.00 0.00 C ATOM 1125 CG LEU A 73 78.241 2.650 9.358 1.00 0.00 C ATOM 1126 CD1 LEU A 73 78.205 4.058 9.955 1.00 0.00 C ATOM 1127 CD2 LEU A 73 79.010 2.678 8.034 1.00 0.00 C ATOM 0 H LEU A 73 77.874 2.614 12.750 1.00 0.00 H new ATOM 0 HA LEU A 73 77.167 0.488 10.737 1.00 0.00 H new ATOM 0 HB2 LEU A 73 79.692 2.245 10.905 1.00 0.00 H new ATOM 0 HB3 LEU A 73 79.466 0.922 9.778 1.00 0.00 H new ATOM 0 HG LEU A 73 77.222 2.304 9.182 1.00 0.00 H new ATOM 0 HD11 LEU A 73 77.705 4.734 9.262 1.00 0.00 H new ATOM 0 HD12 LEU A 73 77.661 4.039 10.899 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.223 4.405 10.130 1.00 0.00 H new ATOM 0 HD21 LEU A 73 78.512 3.354 7.338 1.00 0.00 H new ATOM 0 HD22 LEU A 73 80.028 3.025 8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.038 1.675 7.608 1.00 0.00 H new ATOM 1139 N THR A 74 78.263 -1.121 12.247 1.00 0.00 N ATOM 1140 CA THR A 74 78.923 -2.075 13.182 1.00 0.00 C ATOM 1141 C THR A 74 80.393 -2.242 12.794 1.00 0.00 C ATOM 1142 O THR A 74 80.779 -1.978 11.673 1.00 0.00 O ATOM 1143 CB THR A 74 78.170 -3.395 13.007 1.00 0.00 C ATOM 1144 OG1 THR A 74 78.467 -3.940 11.729 1.00 0.00 O ATOM 1145 CG2 THR A 74 76.663 -3.154 13.122 1.00 0.00 C ATOM 0 H THR A 74 77.554 -1.527 11.637 1.00 0.00 H new ATOM 0 HA THR A 74 78.896 -1.730 14.216 1.00 0.00 H new ATOM 0 HB THR A 74 78.480 -4.093 13.785 1.00 0.00 H new ATOM 0 HG1 THR A 74 77.987 -4.787 11.615 1.00 0.00 H new ATOM 0 HG21 THR A 74 76.133 -4.098 12.996 1.00 0.00 H new ATOM 0 HG22 THR A 74 76.435 -2.738 14.103 1.00 0.00 H new ATOM 0 HG23 THR A 74 76.346 -2.454 12.348 1.00 0.00 H new ATOM 1153 N LEU A 75 81.217 -2.681 13.704 1.00 0.00 N ATOM 1154 CA LEU A 75 82.655 -2.869 13.361 1.00 0.00 C ATOM 1155 C LEU A 75 82.784 -3.810 12.160 1.00 0.00 C ATOM 1156 O LEU A 75 83.568 -3.565 11.266 1.00 0.00 O ATOM 1157 CB LEU A 75 83.298 -3.488 14.604 1.00 0.00 C ATOM 1158 CG LEU A 75 84.794 -3.169 14.611 1.00 0.00 C ATOM 1159 CD1 LEU A 75 85.304 -3.128 16.053 1.00 0.00 C ATOM 1160 CD2 LEU A 75 85.549 -4.251 13.835 1.00 0.00 C ATOM 0 H LEU A 75 80.961 -2.916 14.663 1.00 0.00 H new ATOM 0 HA LEU A 75 83.139 -1.931 13.090 1.00 0.00 H new ATOM 0 HB2 LEU A 75 82.827 -3.096 15.505 1.00 0.00 H new ATOM 0 HB3 LEU A 75 83.144 -4.567 14.608 1.00 0.00 H new ATOM 0 HG LEU A 75 84.959 -2.200 14.141 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.370 -2.901 16.056 1.00 0.00 H new ATOM 0 HD12 LEU A 75 84.767 -2.358 16.607 1.00 0.00 H new ATOM 0 HD13 LEU A 75 85.138 -4.096 16.525 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.615 -4.025 13.839 1.00 0.00 H new ATOM 0 HD22 LEU A 75 85.382 -5.220 14.306 1.00 0.00 H new ATOM 0 HD23 LEU A 75 85.188 -4.280 12.807 1.00 0.00 H new ATOM 1172 N PRO A 76 82.006 -4.864 12.177 1.00 0.00 N ATOM 1173 CA PRO A 76 82.040 -5.846 11.068 1.00 0.00 C ATOM 1174 C PRO A 76 81.652 -5.183 9.744 1.00 0.00 C ATOM 1175 O PRO A 76 82.051 -5.624 8.685 1.00 0.00 O ATOM 1176 CB PRO A 76 81.003 -6.899 11.464 1.00 0.00 C ATOM 1177 CG PRO A 76 80.755 -6.690 12.923 1.00 0.00 C ATOM 1178 CD PRO A 76 81.037 -5.242 13.211 1.00 0.00 C ATOM 0 HA PRO A 76 83.033 -6.270 10.920 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.084 -6.780 10.889 1.00 0.00 H new ATOM 0 HB3 PRO A 76 81.373 -7.906 11.269 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.726 -6.941 13.180 1.00 0.00 H new ATOM 0 HG3 PRO A 76 81.399 -7.335 13.520 1.00 0.00 H new ATOM 0 HD2 PRO A 76 80.132 -4.638 13.151 1.00 0.00 H new ATOM 0 HD3 PRO A 76 81.446 -5.105 14.212 1.00 0.00 H new ATOM 1186 N GLU A 77 80.882 -4.127 9.785 1.00 0.00 N ATOM 1187 CA GLU A 77 80.495 -3.464 8.511 1.00 0.00 C ATOM 1188 C GLU A 77 81.605 -2.494 8.091 1.00 0.00 C ATOM 1189 O GLU A 77 81.697 -2.089 6.948 1.00 0.00 O ATOM 1190 CB GLU A 77 79.159 -2.761 8.820 1.00 0.00 C ATOM 1191 CG GLU A 77 79.322 -1.240 8.878 1.00 0.00 C ATOM 1192 CD GLU A 77 77.939 -0.591 8.821 1.00 0.00 C ATOM 1193 OE1 GLU A 77 77.033 -1.119 9.446 1.00 0.00 O ATOM 1194 OE2 GLU A 77 77.804 0.419 8.149 1.00 0.00 O ATOM 0 H GLU A 77 80.510 -3.702 10.634 1.00 0.00 H new ATOM 0 HA GLU A 77 80.370 -4.151 7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 77 78.426 -3.020 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 77 78.769 -3.122 9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 77 79.837 -0.951 9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 77 79.935 -0.895 8.046 1.00 0.00 H new ATOM 1201 N PHE A 78 82.463 -2.142 9.009 1.00 0.00 N ATOM 1202 CA PHE A 78 83.588 -1.225 8.669 1.00 0.00 C ATOM 1203 C PHE A 78 84.659 -2.012 7.910 1.00 0.00 C ATOM 1204 O PHE A 78 85.333 -1.489 7.044 1.00 0.00 O ATOM 1205 CB PHE A 78 84.124 -0.731 10.018 1.00 0.00 C ATOM 1206 CG PHE A 78 85.549 -0.251 9.859 1.00 0.00 C ATOM 1207 CD1 PHE A 78 86.594 -1.180 9.772 1.00 0.00 C ATOM 1208 CD2 PHE A 78 85.826 1.121 9.799 1.00 0.00 C ATOM 1209 CE1 PHE A 78 87.914 -0.739 9.623 1.00 0.00 C ATOM 1210 CE2 PHE A 78 87.147 1.562 9.650 1.00 0.00 C ATOM 1211 CZ PHE A 78 88.191 0.632 9.562 1.00 0.00 C ATOM 0 H PHE A 78 82.434 -2.450 9.981 1.00 0.00 H new ATOM 0 HA PHE A 78 83.284 -0.391 8.037 1.00 0.00 H new ATOM 0 HB2 PHE A 78 83.498 0.078 10.394 1.00 0.00 H new ATOM 0 HB3 PHE A 78 84.081 -1.535 10.753 1.00 0.00 H new ATOM 0 HD1 PHE A 78 86.381 -2.238 9.820 1.00 0.00 H new ATOM 0 HD2 PHE A 78 85.021 1.838 9.868 1.00 0.00 H new ATOM 0 HE1 PHE A 78 88.719 -1.456 9.555 1.00 0.00 H new ATOM 0 HE2 PHE A 78 87.361 2.620 9.603 1.00 0.00 H new ATOM 0 HZ PHE A 78 89.209 0.973 9.447 1.00 0.00 H new ATOM 1221 N CYS A 79 84.818 -3.270 8.229 1.00 0.00 N ATOM 1222 CA CYS A 79 85.841 -4.093 7.526 1.00 0.00 C ATOM 1223 C CYS A 79 85.627 -4.005 6.014 1.00 0.00 C ATOM 1224 O CYS A 79 86.525 -4.249 5.233 1.00 0.00 O ATOM 1225 CB CYS A 79 85.608 -5.520 8.021 1.00 0.00 C ATOM 1226 SG CYS A 79 87.151 -6.459 7.903 1.00 0.00 S ATOM 0 H CYS A 79 84.283 -3.761 8.946 1.00 0.00 H new ATOM 0 HA CYS A 79 86.858 -3.757 7.726 1.00 0.00 H new ATOM 0 HB2 CYS A 79 85.257 -5.506 9.053 1.00 0.00 H new ATOM 0 HB3 CYS A 79 84.831 -6.000 7.426 1.00 0.00 H new ATOM 0 HG CYS A 79 86.954 -7.672 8.326 1.00 0.00 H new ATOM 1232 N ALA A 80 84.442 -3.652 5.596 1.00 0.00 N ATOM 1233 CA ALA A 80 84.167 -3.542 4.136 1.00 0.00 C ATOM 1234 C ALA A 80 84.345 -2.094 3.680 1.00 0.00 C ATOM 1235 O ALA A 80 84.861 -1.825 2.612 1.00 0.00 O ATOM 1236 CB ALA A 80 82.713 -3.983 3.973 1.00 0.00 C ATOM 0 H ALA A 80 83.652 -3.435 6.204 1.00 0.00 H new ATOM 0 HA ALA A 80 84.844 -4.151 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 80 82.432 -3.930 2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 80 82.602 -5.008 4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 80 82.066 -3.326 4.555 1.00 0.00 H new ATOM 1242 N ALA A 81 83.924 -1.158 4.484 1.00 0.00 N ATOM 1243 CA ALA A 81 84.071 0.276 4.103 1.00 0.00 C ATOM 1244 C ALA A 81 85.517 0.562 3.689 1.00 0.00 C ATOM 1245 O ALA A 81 85.773 1.214 2.697 1.00 0.00 O ATOM 1246 CB ALA A 81 83.708 1.061 5.364 1.00 0.00 C ATOM 0 H ALA A 81 83.484 -1.323 5.389 1.00 0.00 H new ATOM 0 HA ALA A 81 83.437 0.549 3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 81 83.792 2.129 5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 81 82.685 0.826 5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 81 84.388 0.788 6.171 1.00 0.00 H new ATOM 1252 N PHE A 82 86.464 0.076 4.444 1.00 0.00 N ATOM 1253 CA PHE A 82 87.893 0.318 4.096 1.00 0.00 C ATOM 1254 C PHE A 82 88.269 -0.477 2.843 1.00 0.00 C ATOM 1255 O PHE A 82 88.985 0.000 1.984 1.00 0.00 O ATOM 1256 CB PHE A 82 88.686 -0.180 5.305 1.00 0.00 C ATOM 1257 CG PHE A 82 89.394 0.984 5.956 1.00 0.00 C ATOM 1258 CD1 PHE A 82 88.684 2.150 6.265 1.00 0.00 C ATOM 1259 CD2 PHE A 82 90.759 0.897 6.251 1.00 0.00 C ATOM 1260 CE1 PHE A 82 89.340 3.231 6.867 1.00 0.00 C ATOM 1261 CE2 PHE A 82 91.416 1.977 6.853 1.00 0.00 C ATOM 1262 CZ PHE A 82 90.706 3.143 7.161 1.00 0.00 C ATOM 0 H PHE A 82 86.310 -0.478 5.286 1.00 0.00 H new ATOM 0 HA PHE A 82 88.096 1.367 3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 82 88.017 -0.659 6.020 1.00 0.00 H new ATOM 0 HB3 PHE A 82 89.411 -0.932 4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 82 87.630 2.216 6.039 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.306 -0.004 6.014 1.00 0.00 H new ATOM 0 HE1 PHE A 82 88.793 4.131 7.104 1.00 0.00 H new ATOM 0 HE2 PHE A 82 92.470 1.910 7.079 1.00 0.00 H new ATOM 0 HZ PHE A 82 91.212 3.976 7.626 1.00 0.00 H new ATOM 1272 N HIS A 83 87.792 -1.687 2.732 1.00 0.00 N ATOM 1273 CA HIS A 83 88.122 -2.510 1.533 1.00 0.00 C ATOM 1274 C HIS A 83 87.958 -1.673 0.263 1.00 0.00 C ATOM 1275 O HIS A 83 88.691 -1.829 -0.694 1.00 0.00 O ATOM 1276 CB HIS A 83 87.117 -3.662 1.553 1.00 0.00 C ATOM 1277 CG HIS A 83 87.514 -4.656 2.610 1.00 0.00 C ATOM 1278 ND1 HIS A 83 86.935 -5.827 3.031 1.00 0.00 N flip ATOM 1279 CD2 HIS A 83 88.651 -4.495 3.388 1.00 0.00 C flip ATOM 1280 CE1 HIS A 83 87.699 -6.388 4.052 1.00 0.00 C flip ATOM 1281 NE2 HIS A 83 88.720 -5.544 4.227 1.00 0.00 N flip ATOM 0 H HIS A 83 87.189 -2.141 3.418 1.00 0.00 H new ATOM 0 HA HIS A 83 89.151 -2.871 1.547 1.00 0.00 H new ATOM 0 HB2 HIS A 83 86.116 -3.282 1.754 1.00 0.00 H new ATOM 0 HB3 HIS A 83 87.084 -4.147 0.577 1.00 0.00 H new ATOM 0 HD2 HIS A 83 89.353 -3.676 3.331 1.00 0.00 H new ATOM 0 HE1 HIS A 83 87.507 -7.307 4.587 1.00 0.00 H new ATOM 0 HE2 HIS A 83 89.462 -5.679 4.914 1.00 0.00 H new ATOM 1289 N LEU A 84 87.004 -0.784 0.248 1.00 0.00 N ATOM 1290 CA LEU A 84 86.795 0.067 -0.958 1.00 0.00 C ATOM 1291 C LEU A 84 87.787 1.232 -0.955 1.00 0.00 C ATOM 1292 O LEU A 84 88.311 1.616 -1.982 1.00 0.00 O ATOM 1293 CB LEU A 84 85.362 0.587 -0.837 1.00 0.00 C ATOM 1294 CG LEU A 84 84.389 -0.593 -0.803 1.00 0.00 C ATOM 1295 CD1 LEU A 84 83.027 -0.118 -0.293 1.00 0.00 C ATOM 1296 CD2 LEU A 84 84.230 -1.165 -2.214 1.00 0.00 C ATOM 0 H LEU A 84 86.359 -0.610 1.019 1.00 0.00 H new ATOM 0 HA LEU A 84 86.950 -0.485 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 84 85.257 1.185 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 84 85.129 1.239 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 84 84.779 -1.364 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 84 82.334 -0.959 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 84 83.137 0.290 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 84 82.638 0.653 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 84 83.537 -2.006 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 84 83.841 -0.393 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 84 85.199 -1.504 -2.580 1.00 0.00 H new ATOM 1308 N ILE A 85 88.047 1.797 0.192 1.00 0.00 N ATOM 1309 CA ILE A 85 89.005 2.937 0.262 1.00 0.00 C ATOM 1310 C ILE A 85 90.277 2.609 -0.524 1.00 0.00 C ATOM 1311 O ILE A 85 90.729 3.382 -1.345 1.00 0.00 O ATOM 1312 CB ILE A 85 89.325 3.096 1.749 1.00 0.00 C ATOM 1313 CG1 ILE A 85 88.058 3.515 2.500 1.00 0.00 C ATOM 1314 CG2 ILE A 85 90.400 4.167 1.928 1.00 0.00 C ATOM 1315 CD1 ILE A 85 87.539 4.836 1.930 1.00 0.00 C ATOM 0 H ILE A 85 87.638 1.519 1.084 1.00 0.00 H new ATOM 0 HA ILE A 85 88.591 3.849 -0.167 1.00 0.00 H new ATOM 0 HB ILE A 85 89.688 2.148 2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.295 2.742 2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 85 88.272 3.625 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 85 90.628 4.280 2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 85 91.302 3.870 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 85 90.038 5.116 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 85 86.637 5.134 2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 85 88.301 5.607 2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.309 4.710 0.872 1.00 0.00 H new ATOM 1327 N VAL A 86 90.856 1.466 -0.279 1.00 0.00 N ATOM 1328 CA VAL A 86 92.098 1.087 -1.012 1.00 0.00 C ATOM 1329 C VAL A 86 91.800 0.920 -2.504 1.00 0.00 C ATOM 1330 O VAL A 86 92.638 1.170 -3.347 1.00 0.00 O ATOM 1331 CB VAL A 86 92.530 -0.243 -0.396 1.00 0.00 C ATOM 1332 CG1 VAL A 86 93.562 -0.916 -1.302 1.00 0.00 C ATOM 1333 CG2 VAL A 86 93.148 0.010 0.980 1.00 0.00 C ATOM 0 H VAL A 86 90.523 0.778 0.397 1.00 0.00 H new ATOM 0 HA VAL A 86 92.877 1.845 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 86 91.661 -0.893 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 86 93.869 -1.864 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 86 93.122 -1.097 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 86 94.431 -0.267 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 86 93.456 -0.938 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 86 94.016 0.661 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 86 92.412 0.488 1.627 1.00 0.00 H new ATOM 1343 N ALA A 87 90.610 0.500 -2.836 1.00 0.00 N ATOM 1344 CA ALA A 87 90.257 0.317 -4.274 1.00 0.00 C ATOM 1345 C ALA A 87 90.394 1.645 -5.024 1.00 0.00 C ATOM 1346 O ALA A 87 90.550 1.674 -6.229 1.00 0.00 O ATOM 1347 CB ALA A 87 88.801 -0.149 -4.267 1.00 0.00 C ATOM 0 H ALA A 87 89.867 0.276 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 87 90.911 -0.398 -4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 87 88.464 -0.307 -5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 87 88.721 -1.083 -3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.178 0.610 -3.793 1.00 0.00 H new