USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 418 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 75 ASN : amide:sc= 0.698 K(o=-0.053,f=-1.6) USER MOD Set 1.2: A 86 GLN : amide:sc= -0.751 K(o=-0.053,f=-1.6) USER MOD Set 2.1: A 31 CYS SG : rot 148:sc= -0.699 USER MOD Set 2.2: A 34 CYS SG : rot -52:sc= 1.02 USER MOD Set 2.3: A 56 CYS SG : rot 118:sc= -0.0807 USER MOD Set 2.4: A 57 MET CE :methyl 163:sc= -1.57 (180deg=-1.26) USER MOD Set 2.5: A 67 CYS SG : rot -69:sc= 0.42 USER MOD Single : A 26 SER OG : rot 33:sc= 0.174 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00491 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.7! K(o=-2.7!,f=-1.1) USER MOD Single : A 59 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.7!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= 0.0867 (180deg=0.00916) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 152:sc= -0.089 (180deg=-0.604) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0893 USER MOD Single : A 71 GLN : amide:sc= -2.19 X(o=-2.2,f=-2.1!) USER MOD Single : A 73 MET CE :methyl -140:sc= -3.54 (180deg=-6.34!) USER MOD Single : A 74 SER OG : rot 180:sc=0.000163 USER MOD Single : A 79 ASN : amide:sc= -0.621 K(o=-0.62,f=0.57) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.520 -12.240 -0.945 1.00 62.21 N ATOM 367 CA SER A 26 3.296 -11.669 -1.493 1.00 51.12 C ATOM 368 C SER A 26 3.346 -10.145 -1.463 1.00 13.42 C ATOM 369 O SER A 26 3.853 -9.548 -0.513 1.00 13.50 O ATOM 370 CB SER A 26 2.080 -12.166 -0.707 1.00 63.52 C ATOM 371 OG SER A 26 2.081 -13.579 -0.607 1.00 63.43 O ATOM 0 HA SER A 26 3.207 -11.992 -2.530 1.00 51.12 H new ATOM 0 HB2 SER A 26 2.084 -11.728 0.291 1.00 63.52 H new ATOM 0 HB3 SER A 26 1.165 -11.834 -1.198 1.00 63.52 H new ATOM 0 HG SER A 26 3.005 -13.903 -0.565 1.00 63.43 H new ATOM 377 N ALA A 27 2.816 -9.520 -2.509 1.00 61.33 N ATOM 378 CA ALA A 27 2.799 -8.066 -2.603 1.00 70.11 C ATOM 379 C ALA A 27 1.371 -7.541 -2.715 1.00 22.35 C ATOM 380 O ALA A 27 0.453 -8.281 -3.066 1.00 61.42 O ATOM 381 CB ALA A 27 3.628 -7.603 -3.791 1.00 63.24 C ATOM 0 H ALA A 27 2.392 -9.999 -3.304 1.00 61.33 H new ATOM 0 HA ALA A 27 3.237 -7.662 -1.690 1.00 70.11 H new ATOM 0 HB1 ALA A 27 3.606 -6.515 -3.848 1.00 63.24 H new ATOM 0 HB2 ALA A 27 4.658 -7.939 -3.669 1.00 63.24 H new ATOM 0 HB3 ALA A 27 3.215 -8.023 -4.708 1.00 63.24 H new ATOM 387 N TRP A 28 1.192 -6.259 -2.413 1.00 20.51 N ATOM 388 CA TRP A 28 -0.124 -5.635 -2.480 1.00 15.21 C ATOM 389 C TRP A 28 -0.282 -4.832 -3.766 1.00 24.51 C ATOM 390 O TRP A 28 0.595 -4.050 -4.133 1.00 74.23 O ATOM 391 CB TRP A 28 -0.343 -4.728 -1.268 1.00 53.14 C ATOM 392 CG TRP A 28 -0.890 -5.452 -0.075 1.00 21.24 C ATOM 393 CD1 TRP A 28 -0.238 -5.711 1.097 1.00 34.13 C ATOM 394 CD2 TRP A 28 -2.201 -6.012 0.061 1.00 21.03 C ATOM 395 NE1 TRP A 28 -1.065 -6.398 1.953 1.00 44.32 N ATOM 396 CE2 TRP A 28 -2.275 -6.594 1.341 1.00 51.11 C ATOM 397 CE3 TRP A 28 -3.320 -6.077 -0.774 1.00 2.34 C ATOM 398 CZ2 TRP A 28 -3.422 -7.232 1.803 1.00 40.24 C ATOM 399 CZ3 TRP A 28 -4.459 -6.711 -0.314 1.00 23.45 C ATOM 400 CH2 TRP A 28 -4.503 -7.281 0.965 1.00 0.44 C ATOM 0 H TRP A 28 1.942 -5.632 -2.120 1.00 20.51 H new ATOM 0 HA TRP A 28 -0.874 -6.426 -2.474 1.00 15.21 H new ATOM 0 HB2 TRP A 28 0.604 -4.260 -0.998 1.00 53.14 H new ATOM 0 HB3 TRP A 28 -1.028 -3.926 -1.543 1.00 53.14 H new ATOM 0 HD1 TRP A 28 0.778 -5.419 1.318 1.00 34.13 H new ATOM 0 HE1 TRP A 28 -0.818 -6.711 2.892 1.00 44.32 H new ATOM 0 HE3 TRP A 28 -3.295 -5.640 -1.761 1.00 2.34 H new ATOM 0 HZ2 TRP A 28 -3.458 -7.673 2.788 1.00 40.24 H new ATOM 0 HZ3 TRP A 28 -5.329 -6.768 -0.951 1.00 23.45 H new ATOM 0 HH2 TRP A 28 -5.408 -7.769 1.296 1.00 0.44 H new ATOM 411 N VAL A 29 -1.405 -5.031 -4.449 1.00 72.20 N ATOM 412 CA VAL A 29 -1.678 -4.324 -5.694 1.00 31.34 C ATOM 413 C VAL A 29 -3.095 -3.762 -5.708 1.00 64.02 C ATOM 414 O VAL A 29 -4.017 -4.363 -5.157 1.00 44.41 O ATOM 415 CB VAL A 29 -1.490 -5.244 -6.915 1.00 53.33 C ATOM 416 CG1 VAL A 29 -0.014 -5.515 -7.158 1.00 31.51 C ATOM 417 CG2 VAL A 29 -2.255 -6.545 -6.724 1.00 54.33 C ATOM 0 H VAL A 29 -2.140 -5.676 -4.161 1.00 72.20 H new ATOM 0 HA VAL A 29 -0.964 -3.502 -5.754 1.00 31.34 H new ATOM 0 HB VAL A 29 -1.891 -4.739 -7.794 1.00 53.33 H new ATOM 0 HG11 VAL A 29 0.098 -6.167 -8.024 1.00 31.51 H new ATOM 0 HG12 VAL A 29 0.503 -4.573 -7.342 1.00 31.51 H new ATOM 0 HG13 VAL A 29 0.416 -6.000 -6.281 1.00 31.51 H new ATOM 0 HG21 VAL A 29 -2.111 -7.183 -7.596 1.00 54.33 H new ATOM 0 HG22 VAL A 29 -1.886 -7.057 -5.835 1.00 54.33 H new ATOM 0 HG23 VAL A 29 -3.317 -6.329 -6.604 1.00 54.33 H new ATOM 427 N ARG A 30 -3.261 -2.605 -6.342 1.00 65.43 N ATOM 428 CA ARG A 30 -4.566 -1.961 -6.428 1.00 71.34 C ATOM 429 C ARG A 30 -5.112 -2.026 -7.851 1.00 42.13 C ATOM 430 O ARG A 30 -4.364 -1.901 -8.820 1.00 24.33 O ATOM 431 CB ARG A 30 -4.470 -0.504 -5.972 1.00 43.31 C ATOM 432 CG ARG A 30 -5.817 0.195 -5.883 1.00 22.00 C ATOM 433 CD ARG A 30 -5.783 1.555 -6.562 1.00 12.23 C ATOM 434 NE ARG A 30 -5.562 1.444 -8.001 1.00 33.24 N ATOM 435 CZ ARG A 30 -5.107 2.440 -8.753 1.00 64.42 C ATOM 436 NH1 ARG A 30 -4.825 3.614 -8.206 1.00 50.53 N ATOM 437 NH2 ARG A 30 -4.931 2.261 -10.057 1.00 72.50 N ATOM 0 H ARG A 30 -2.508 -2.095 -6.803 1.00 65.43 H new ATOM 0 HA ARG A 30 -5.251 -2.496 -5.770 1.00 71.34 H new ATOM 0 HB2 ARG A 30 -3.986 -0.469 -4.996 1.00 43.31 H new ATOM 0 HB3 ARG A 30 -3.831 0.044 -6.665 1.00 43.31 H new ATOM 0 HG2 ARG A 30 -6.582 -0.426 -6.348 1.00 22.00 H new ATOM 0 HG3 ARG A 30 -6.097 0.316 -4.837 1.00 22.00 H new ATOM 0 HD2 ARG A 30 -6.723 2.075 -6.379 1.00 12.23 H new ATOM 0 HD3 ARG A 30 -4.992 2.161 -6.120 1.00 12.23 H new ATOM 0 HE ARG A 30 -5.768 0.553 -8.453 1.00 33.24 H new ATOM 0 HH11 ARG A 30 -4.957 3.755 -7.204 1.00 50.53 H new ATOM 0 HH12 ARG A 30 -4.476 4.376 -8.787 1.00 50.53 H new ATOM 0 HH21 ARG A 30 -5.145 1.359 -10.481 1.00 72.50 H new ATOM 0 HH22 ARG A 30 -4.582 3.026 -10.634 1.00 72.50 H new ATOM 451 N CYS A 31 -6.421 -2.224 -7.968 1.00 4.35 N ATOM 452 CA CYS A 31 -7.069 -2.306 -9.272 1.00 21.53 C ATOM 453 C CYS A 31 -7.219 -0.920 -9.893 1.00 0.10 C ATOM 454 O CYS A 31 -7.591 0.038 -9.216 1.00 52.32 O ATOM 455 CB CYS A 31 -8.440 -2.971 -9.143 1.00 62.43 C ATOM 456 SG CYS A 31 -9.285 -3.248 -10.733 1.00 1.21 S ATOM 0 H CYS A 31 -7.054 -2.331 -7.175 1.00 4.35 H new ATOM 0 HA CYS A 31 -6.440 -2.911 -9.925 1.00 21.53 H new ATOM 0 HB2 CYS A 31 -8.321 -3.928 -8.635 1.00 62.43 H new ATOM 0 HB3 CYS A 31 -9.075 -2.351 -8.510 1.00 62.43 H new ATOM 0 HG CYS A 31 -10.006 -4.327 -10.659 1.00 1.21 H new ATOM 461 N ASP A 32 -6.928 -0.823 -11.186 1.00 54.21 N ATOM 462 CA ASP A 32 -7.033 0.445 -11.900 1.00 34.15 C ATOM 463 C ASP A 32 -8.378 0.559 -12.609 1.00 3.23 C ATOM 464 O ASP A 32 -8.484 1.189 -13.662 1.00 0.12 O ATOM 465 CB ASP A 32 -5.895 0.581 -12.912 1.00 42.24 C ATOM 466 CG ASP A 32 -5.491 2.024 -13.139 1.00 31.43 C ATOM 467 OD1 ASP A 32 -6.340 2.917 -12.936 1.00 11.12 O ATOM 468 OD2 ASP A 32 -4.325 2.260 -13.519 1.00 44.10 O ATOM 0 H ASP A 32 -6.618 -1.606 -11.761 1.00 54.21 H new ATOM 0 HA ASP A 32 -6.958 1.252 -11.171 1.00 34.15 H new ATOM 0 HB2 ASP A 32 -5.031 0.016 -12.561 1.00 42.24 H new ATOM 0 HB3 ASP A 32 -6.201 0.139 -13.860 1.00 42.24 H new ATOM 473 N ASP A 33 -9.403 -0.054 -12.027 1.00 70.43 N ATOM 474 CA ASP A 33 -10.742 -0.022 -12.604 1.00 4.21 C ATOM 475 C ASP A 33 -11.791 0.235 -11.528 1.00 12.45 C ATOM 476 O ASP A 33 -12.704 1.040 -11.715 1.00 11.24 O ATOM 477 CB ASP A 33 -11.043 -1.338 -13.323 1.00 5.44 C ATOM 478 CG ASP A 33 -11.985 -1.154 -14.497 1.00 73.11 C ATOM 479 OD1 ASP A 33 -13.073 -0.574 -14.298 1.00 11.32 O ATOM 480 OD2 ASP A 33 -11.636 -1.591 -15.613 1.00 72.40 O ATOM 0 H ASP A 33 -9.332 -0.579 -11.156 1.00 70.43 H new ATOM 0 HA ASP A 33 -10.780 0.794 -13.326 1.00 4.21 H new ATOM 0 HB2 ASP A 33 -10.110 -1.778 -13.675 1.00 5.44 H new ATOM 0 HB3 ASP A 33 -11.481 -2.043 -12.616 1.00 5.44 H new ATOM 485 N CYS A 34 -11.656 -0.454 -10.399 1.00 23.14 N ATOM 486 CA CYS A 34 -12.592 -0.302 -9.292 1.00 23.25 C ATOM 487 C CYS A 34 -11.888 0.248 -8.055 1.00 64.23 C ATOM 488 O CYS A 34 -12.531 0.609 -7.070 1.00 50.10 O ATOM 489 CB CYS A 34 -13.249 -1.644 -8.965 1.00 70.32 C ATOM 490 SG CYS A 34 -12.080 -2.930 -8.418 1.00 54.00 S ATOM 0 H CYS A 34 -10.906 -1.124 -10.227 1.00 23.14 H new ATOM 0 HA CYS A 34 -13.362 0.408 -9.595 1.00 23.25 H new ATOM 0 HB2 CYS A 34 -13.995 -1.491 -8.185 1.00 70.32 H new ATOM 0 HB3 CYS A 34 -13.779 -2.002 -9.848 1.00 70.32 H new ATOM 0 HG CYS A 34 -11.111 -3.030 -9.279 1.00 54.00 H new ATOM 495 N PHE A 35 -10.561 0.309 -8.115 1.00 54.21 N ATOM 496 CA PHE A 35 -9.768 0.814 -6.999 1.00 40.24 C ATOM 497 C PHE A 35 -9.973 -0.045 -5.755 1.00 53.41 C ATOM 498 O PHE A 35 -10.653 0.360 -4.811 1.00 3.03 O ATOM 499 CB PHE A 35 -10.141 2.267 -6.698 1.00 60.25 C ATOM 500 CG PHE A 35 -10.007 3.178 -7.884 1.00 14.40 C ATOM 501 CD1 PHE A 35 -11.064 3.354 -8.762 1.00 50.33 C ATOM 502 CD2 PHE A 35 -8.825 3.860 -8.121 1.00 73.20 C ATOM 503 CE1 PHE A 35 -10.944 4.191 -9.855 1.00 41.32 C ATOM 504 CE2 PHE A 35 -8.699 4.699 -9.212 1.00 35.25 C ATOM 505 CZ PHE A 35 -9.760 4.866 -10.080 1.00 34.31 C ATOM 0 H PHE A 35 -10.013 0.015 -8.923 1.00 54.21 H new ATOM 0 HA PHE A 35 -8.716 0.768 -7.281 1.00 40.24 H new ATOM 0 HB2 PHE A 35 -11.169 2.303 -6.337 1.00 60.25 H new ATOM 0 HB3 PHE A 35 -9.507 2.637 -5.892 1.00 60.25 H new ATOM 0 HD1 PHE A 35 -11.993 2.831 -8.590 1.00 50.33 H new ATOM 0 HD2 PHE A 35 -7.992 3.735 -7.445 1.00 73.20 H new ATOM 0 HE1 PHE A 35 -11.775 4.317 -10.533 1.00 41.32 H new ATOM 0 HE2 PHE A 35 -7.771 5.224 -9.386 1.00 35.25 H new ATOM 0 HZ PHE A 35 -9.664 5.522 -10.932 1.00 34.31 H new ATOM 515 N LYS A 36 -9.379 -1.234 -5.759 1.00 51.22 N ATOM 516 CA LYS A 36 -9.495 -2.151 -4.631 1.00 65.12 C ATOM 517 C LYS A 36 -8.173 -2.871 -4.379 1.00 13.23 C ATOM 518 O LYS A 36 -7.403 -3.116 -5.306 1.00 62.13 O ATOM 519 CB LYS A 36 -10.603 -3.174 -4.890 1.00 3.11 C ATOM 520 CG LYS A 36 -11.643 -3.236 -3.785 1.00 11.22 C ATOM 521 CD LYS A 36 -12.442 -1.946 -3.698 1.00 53.44 C ATOM 522 CE LYS A 36 -13.507 -2.022 -2.614 1.00 71.35 C ATOM 523 NZ LYS A 36 -14.351 -0.796 -2.579 1.00 61.14 N ATOM 0 H LYS A 36 -8.812 -1.585 -6.531 1.00 51.22 H new ATOM 0 HA LYS A 36 -9.747 -1.568 -3.745 1.00 65.12 H new ATOM 0 HB2 LYS A 36 -11.098 -2.931 -5.830 1.00 3.11 H new ATOM 0 HB3 LYS A 36 -10.155 -4.160 -5.011 1.00 3.11 H new ATOM 0 HG2 LYS A 36 -12.319 -4.072 -3.966 1.00 11.22 H new ATOM 0 HG3 LYS A 36 -11.151 -3.425 -2.831 1.00 11.22 H new ATOM 0 HD2 LYS A 36 -11.770 -1.113 -3.491 1.00 53.44 H new ATOM 0 HD3 LYS A 36 -12.914 -1.743 -4.660 1.00 53.44 H new ATOM 0 HE2 LYS A 36 -14.139 -2.893 -2.786 1.00 71.35 H new ATOM 0 HE3 LYS A 36 -13.029 -2.162 -1.644 1.00 71.35 H new ATOM 0 HZ1 LYS A 36 -15.064 -0.887 -1.828 1.00 61.14 H new ATOM 0 HZ2 LYS A 36 -13.752 0.033 -2.389 1.00 61.14 H new ATOM 0 HZ3 LYS A 36 -14.827 -0.676 -3.496 1.00 61.14 H new ATOM 537 N TRP A 37 -7.920 -3.206 -3.119 1.00 35.32 N ATOM 538 CA TRP A 37 -6.693 -3.900 -2.745 1.00 21.32 C ATOM 539 C TRP A 37 -6.752 -5.369 -3.148 1.00 11.41 C ATOM 540 O TRP A 37 -7.810 -5.997 -3.081 1.00 65.31 O ATOM 541 CB TRP A 37 -6.453 -3.780 -1.239 1.00 52.25 C ATOM 542 CG TRP A 37 -5.623 -2.591 -0.862 1.00 33.45 C ATOM 543 CD1 TRP A 37 -5.912 -1.659 0.094 1.00 61.22 C ATOM 544 CD2 TRP A 37 -4.369 -2.204 -1.434 1.00 65.55 C ATOM 545 NE1 TRP A 37 -4.913 -0.717 0.150 1.00 72.25 N ATOM 546 CE2 TRP A 37 -3.955 -1.030 -0.777 1.00 24.40 C ATOM 547 CE3 TRP A 37 -3.554 -2.738 -2.437 1.00 61.02 C ATOM 548 CZ2 TRP A 37 -2.763 -0.382 -1.092 1.00 22.42 C ATOM 549 CZ3 TRP A 37 -2.373 -2.094 -2.750 1.00 33.12 C ATOM 550 CH2 TRP A 37 -1.985 -0.926 -2.078 1.00 1.42 C ATOM 0 H TRP A 37 -8.548 -3.009 -2.340 1.00 35.32 H new ATOM 0 HA TRP A 37 -5.865 -3.431 -3.276 1.00 21.32 H new ATOM 0 HB2 TRP A 37 -7.414 -3.719 -0.729 1.00 52.25 H new ATOM 0 HB3 TRP A 37 -5.960 -4.685 -0.884 1.00 52.25 H new ATOM 0 HD1 TRP A 37 -6.796 -1.662 0.715 1.00 61.22 H new ATOM 0 HE1 TRP A 37 -4.889 0.085 0.780 1.00 72.25 H new ATOM 0 HE3 TRP A 37 -3.843 -3.639 -2.958 1.00 61.02 H new ATOM 0 HZ2 TRP A 37 -2.463 0.518 -0.576 1.00 22.42 H new ATOM 0 HZ3 TRP A 37 -1.738 -2.497 -3.525 1.00 33.12 H new ATOM 0 HH2 TRP A 37 -1.054 -0.446 -2.344 1.00 1.42 H new ATOM 561 N ARG A 38 -5.613 -5.911 -3.565 1.00 1.53 N ATOM 562 CA ARG A 38 -5.538 -7.307 -3.979 1.00 2.34 C ATOM 563 C ARG A 38 -4.164 -7.894 -3.666 1.00 11.42 C ATOM 564 O ARG A 38 -3.139 -7.363 -4.093 1.00 3.23 O ATOM 565 CB ARG A 38 -5.829 -7.433 -5.476 1.00 73.41 C ATOM 566 CG ARG A 38 -6.884 -8.476 -5.805 1.00 22.31 C ATOM 567 CD ARG A 38 -6.263 -9.848 -6.018 1.00 44.04 C ATOM 568 NE ARG A 38 -7.148 -10.923 -5.580 1.00 54.13 N ATOM 569 CZ ARG A 38 -6.724 -12.143 -5.267 1.00 43.13 C ATOM 570 NH1 ARG A 38 -5.434 -12.441 -5.346 1.00 15.44 N ATOM 571 NH2 ARG A 38 -7.591 -13.068 -4.876 1.00 31.02 N ATOM 0 H ARG A 38 -4.729 -5.405 -3.625 1.00 1.53 H new ATOM 0 HA ARG A 38 -6.289 -7.866 -3.421 1.00 2.34 H new ATOM 0 HB2 ARG A 38 -6.156 -6.465 -5.857 1.00 73.41 H new ATOM 0 HB3 ARG A 38 -4.906 -7.685 -5.997 1.00 73.41 H new ATOM 0 HG2 ARG A 38 -7.612 -8.527 -4.995 1.00 22.31 H new ATOM 0 HG3 ARG A 38 -7.425 -8.177 -6.703 1.00 22.31 H new ATOM 0 HD2 ARG A 38 -6.028 -9.980 -7.074 1.00 44.04 H new ATOM 0 HD3 ARG A 38 -5.321 -9.908 -5.472 1.00 44.04 H new ATOM 0 HE ARG A 38 -8.147 -10.727 -5.510 1.00 54.13 H new ATOM 0 HH11 ARG A 38 -4.765 -11.733 -5.648 1.00 15.44 H new ATOM 0 HH12 ARG A 38 -5.111 -13.378 -5.105 1.00 15.44 H new ATOM 0 HH21 ARG A 38 -8.584 -12.843 -4.815 1.00 31.02 H new ATOM 0 HH22 ARG A 38 -7.265 -14.004 -4.636 1.00 31.02 H new ATOM 585 N ARG A 39 -4.153 -8.992 -2.916 1.00 2.45 N ATOM 586 CA ARG A 39 -2.906 -9.648 -2.543 1.00 43.24 C ATOM 587 C ARG A 39 -2.474 -10.641 -3.618 1.00 31.32 C ATOM 588 O ARG A 39 -3.193 -11.591 -3.927 1.00 14.43 O ATOM 589 CB ARG A 39 -3.066 -10.370 -1.203 1.00 23.34 C ATOM 590 CG ARG A 39 -1.761 -10.535 -0.442 1.00 42.23 C ATOM 591 CD ARG A 39 -1.676 -11.898 0.228 1.00 33.23 C ATOM 592 NE ARG A 39 -0.711 -11.910 1.324 1.00 52.52 N ATOM 593 CZ ARG A 39 -0.245 -13.022 1.881 1.00 71.45 C ATOM 594 NH1 ARG A 39 -0.653 -14.206 1.446 1.00 64.14 N ATOM 595 NH2 ARG A 39 0.631 -12.951 2.874 1.00 35.31 N ATOM 0 H ARG A 39 -4.993 -9.445 -2.555 1.00 2.45 H new ATOM 0 HA ARG A 39 -2.136 -8.883 -2.446 1.00 43.24 H new ATOM 0 HB2 ARG A 39 -3.771 -9.816 -0.583 1.00 23.34 H new ATOM 0 HB3 ARG A 39 -3.501 -11.354 -1.379 1.00 23.34 H new ATOM 0 HG2 ARG A 39 -0.921 -10.411 -1.126 1.00 42.23 H new ATOM 0 HG3 ARG A 39 -1.676 -9.752 0.311 1.00 42.23 H new ATOM 0 HD2 ARG A 39 -2.659 -12.177 0.607 1.00 33.23 H new ATOM 0 HD3 ARG A 39 -1.395 -12.648 -0.511 1.00 33.23 H new ATOM 0 HE ARG A 39 -0.376 -11.015 1.681 1.00 52.52 H new ATOM 0 HH11 ARG A 39 -1.326 -14.264 0.682 1.00 64.14 H new ATOM 0 HH12 ARG A 39 -0.294 -15.059 1.875 1.00 64.14 H new ATOM 0 HH21 ARG A 39 0.948 -12.042 3.211 1.00 35.31 H new ATOM 0 HH22 ARG A 39 0.988 -13.806 3.301 1.00 35.31 H new ATOM 609 N ILE A 40 -1.294 -10.414 -4.185 1.00 23.44 N ATOM 610 CA ILE A 40 -0.764 -11.288 -5.225 1.00 14.33 C ATOM 611 C ILE A 40 0.606 -11.835 -4.838 1.00 43.53 C ATOM 612 O ILE A 40 1.353 -11.224 -4.074 1.00 43.30 O ATOM 613 CB ILE A 40 -0.650 -10.553 -6.573 1.00 64.01 C ATOM 614 CG1 ILE A 40 0.515 -9.561 -6.541 1.00 62.05 C ATOM 615 CG2 ILE A 40 -1.952 -9.838 -6.899 1.00 60.05 C ATOM 616 CD1 ILE A 40 0.620 -8.712 -7.788 1.00 40.00 C ATOM 0 H ILE A 40 -0.686 -9.632 -3.942 1.00 23.44 H new ATOM 0 HA ILE A 40 -1.466 -12.115 -5.330 1.00 14.33 H new ATOM 0 HB ILE A 40 -0.456 -11.288 -7.355 1.00 64.01 H new ATOM 0 HG12 ILE A 40 0.402 -8.908 -5.675 1.00 62.05 H new ATOM 0 HG13 ILE A 40 1.446 -10.111 -6.406 1.00 62.05 H new ATOM 0 HG21 ILE A 40 -1.855 -9.323 -7.855 1.00 60.05 H new ATOM 0 HG22 ILE A 40 -2.761 -10.566 -6.959 1.00 60.05 H new ATOM 0 HG23 ILE A 40 -2.174 -9.112 -6.117 1.00 60.05 H new ATOM 0 HD11 ILE A 40 1.467 -8.033 -7.695 1.00 40.00 H new ATOM 0 HD12 ILE A 40 0.764 -9.356 -8.656 1.00 40.00 H new ATOM 0 HD13 ILE A 40 -0.296 -8.135 -7.913 1.00 40.00 H new ATOM 628 N PRO A 41 0.946 -13.015 -5.379 1.00 32.12 N ATOM 629 CA PRO A 41 2.229 -13.669 -5.107 1.00 72.13 C ATOM 630 C PRO A 41 3.403 -12.930 -5.740 1.00 63.02 C ATOM 631 O PRO A 41 3.232 -12.187 -6.706 1.00 75.01 O ATOM 632 CB PRO A 41 2.063 -15.052 -5.743 1.00 40.31 C ATOM 633 CG PRO A 41 1.041 -14.858 -6.809 1.00 55.35 C ATOM 634 CD PRO A 41 0.105 -13.800 -6.298 1.00 1.32 C ATOM 0 HA PRO A 41 2.453 -13.698 -4.041 1.00 72.13 H new ATOM 0 HB2 PRO A 41 3.004 -15.413 -6.158 1.00 40.31 H new ATOM 0 HB3 PRO A 41 1.735 -15.788 -5.009 1.00 40.31 H new ATOM 0 HG2 PRO A 41 1.507 -14.548 -7.744 1.00 55.35 H new ATOM 0 HG3 PRO A 41 0.507 -15.787 -7.011 1.00 55.35 H new ATOM 0 HD2 PRO A 41 -0.287 -13.185 -7.108 1.00 1.32 H new ATOM 0 HD3 PRO A 41 -0.752 -14.236 -5.785 1.00 1.32 H new ATOM 642 N ALA A 42 4.594 -13.138 -5.189 1.00 61.52 N ATOM 643 CA ALA A 42 5.797 -12.494 -5.702 1.00 0.54 C ATOM 644 C ALA A 42 6.158 -13.025 -7.084 1.00 24.23 C ATOM 645 O ALA A 42 7.008 -12.462 -7.774 1.00 11.45 O ATOM 646 CB ALA A 42 6.956 -12.695 -4.737 1.00 10.04 C ATOM 0 H ALA A 42 4.752 -13.748 -4.387 1.00 61.52 H new ATOM 0 HA ALA A 42 5.596 -11.427 -5.794 1.00 0.54 H new ATOM 0 HB1 ALA A 42 7.848 -12.209 -5.133 1.00 10.04 H new ATOM 0 HB2 ALA A 42 6.704 -12.259 -3.770 1.00 10.04 H new ATOM 0 HB3 ALA A 42 7.148 -13.761 -4.616 1.00 10.04 H new ATOM 652 N SER A 43 5.507 -14.114 -7.483 1.00 24.04 N ATOM 653 CA SER A 43 5.764 -14.724 -8.782 1.00 43.12 C ATOM 654 C SER A 43 5.101 -13.923 -9.900 1.00 34.53 C ATOM 655 O SER A 43 5.648 -13.793 -10.995 1.00 74.24 O ATOM 656 CB SER A 43 5.254 -16.167 -8.802 1.00 14.45 C ATOM 657 OG SER A 43 5.404 -16.777 -7.532 1.00 44.22 O ATOM 0 H SER A 43 4.799 -14.591 -6.925 1.00 24.04 H new ATOM 0 HA SER A 43 6.841 -14.724 -8.948 1.00 43.12 H new ATOM 0 HB2 SER A 43 4.204 -16.181 -9.094 1.00 14.45 H new ATOM 0 HB3 SER A 43 5.801 -16.739 -9.551 1.00 14.45 H new ATOM 0 HG SER A 43 5.070 -17.697 -7.570 1.00 44.22 H new ATOM 663 N VAL A 44 3.919 -13.388 -9.613 1.00 24.44 N ATOM 664 CA VAL A 44 3.181 -12.598 -10.593 1.00 15.53 C ATOM 665 C VAL A 44 3.501 -11.114 -10.456 1.00 23.50 C ATOM 666 O VAL A 44 3.499 -10.374 -11.440 1.00 15.03 O ATOM 667 CB VAL A 44 1.661 -12.799 -10.444 1.00 64.54 C ATOM 668 CG1 VAL A 44 1.165 -12.180 -9.147 1.00 53.15 C ATOM 669 CG2 VAL A 44 0.927 -12.212 -11.640 1.00 23.24 C ATOM 0 H VAL A 44 3.452 -13.487 -8.712 1.00 24.44 H new ATOM 0 HA VAL A 44 3.492 -12.944 -11.579 1.00 15.53 H new ATOM 0 HB VAL A 44 1.455 -13.869 -10.409 1.00 64.54 H new ATOM 0 HG11 VAL A 44 0.089 -12.332 -9.059 1.00 53.15 H new ATOM 0 HG12 VAL A 44 1.668 -12.652 -8.303 1.00 53.15 H new ATOM 0 HG13 VAL A 44 1.382 -11.112 -9.148 1.00 53.15 H new ATOM 0 HG21 VAL A 44 -0.146 -12.363 -11.518 1.00 23.24 H new ATOM 0 HG22 VAL A 44 1.138 -11.145 -11.708 1.00 23.24 H new ATOM 0 HG23 VAL A 44 1.262 -12.707 -12.551 1.00 23.24 H new ATOM 679 N VAL A 45 3.779 -10.684 -9.229 1.00 32.43 N ATOM 680 CA VAL A 45 4.105 -9.288 -8.963 1.00 55.44 C ATOM 681 C VAL A 45 5.303 -8.836 -9.789 1.00 70.42 C ATOM 682 O VAL A 45 5.464 -7.650 -10.072 1.00 31.15 O ATOM 683 CB VAL A 45 4.406 -9.056 -7.470 1.00 62.21 C ATOM 684 CG1 VAL A 45 5.877 -9.316 -7.176 1.00 3.42 C ATOM 685 CG2 VAL A 45 4.012 -7.646 -7.060 1.00 23.35 C ATOM 0 H VAL A 45 3.785 -11.283 -8.403 1.00 32.43 H new ATOM 0 HA VAL A 45 3.232 -8.700 -9.245 1.00 55.44 H new ATOM 0 HB VAL A 45 3.813 -9.758 -6.884 1.00 62.21 H new ATOM 0 HG11 VAL A 45 6.072 -9.147 -6.117 1.00 3.42 H new ATOM 0 HG12 VAL A 45 6.122 -10.347 -7.430 1.00 3.42 H new ATOM 0 HG13 VAL A 45 6.492 -8.640 -7.770 1.00 3.42 H new ATOM 0 HG21 VAL A 45 4.232 -7.500 -6.002 1.00 23.35 H new ATOM 0 HG22 VAL A 45 4.576 -6.924 -7.651 1.00 23.35 H new ATOM 0 HG23 VAL A 45 2.945 -7.502 -7.232 1.00 23.35 H new ATOM 695 N GLY A 46 6.145 -9.791 -10.174 1.00 55.25 N ATOM 696 CA GLY A 46 7.319 -9.472 -10.964 1.00 43.34 C ATOM 697 C GLY A 46 7.113 -9.739 -12.442 1.00 73.54 C ATOM 698 O GLY A 46 8.075 -9.934 -13.185 1.00 15.13 O ATOM 0 H GLY A 46 6.034 -10.780 -9.952 1.00 55.25 H new ATOM 0 HA2 GLY A 46 7.576 -8.423 -10.820 1.00 43.34 H new ATOM 0 HA3 GLY A 46 8.165 -10.059 -10.606 1.00 43.34 H new ATOM 702 N SER A 47 5.855 -9.751 -12.870 1.00 65.24 N ATOM 703 CA SER A 47 5.525 -10.003 -14.269 1.00 72.33 C ATOM 704 C SER A 47 4.428 -9.058 -14.747 1.00 53.31 C ATOM 705 O SER A 47 4.484 -8.539 -15.862 1.00 64.01 O ATOM 706 CB SER A 47 5.081 -11.455 -14.457 1.00 53.43 C ATOM 707 OG SER A 47 5.969 -12.154 -15.311 1.00 0.13 O ATOM 0 H SER A 47 5.047 -9.589 -12.269 1.00 65.24 H new ATOM 0 HA SER A 47 6.420 -9.824 -14.865 1.00 72.33 H new ATOM 0 HB2 SER A 47 5.036 -11.953 -13.488 1.00 53.43 H new ATOM 0 HB3 SER A 47 4.075 -11.479 -14.875 1.00 53.43 H new ATOM 0 HG SER A 47 5.664 -13.080 -15.413 1.00 0.13 H new ATOM 713 N ILE A 48 3.432 -8.838 -13.895 1.00 45.34 N ATOM 714 CA ILE A 48 2.322 -7.955 -14.229 1.00 45.34 C ATOM 715 C ILE A 48 2.746 -6.491 -14.164 1.00 51.43 C ATOM 716 O ILE A 48 2.066 -5.614 -14.696 1.00 15.10 O ATOM 717 CB ILE A 48 1.125 -8.174 -13.286 1.00 44.53 C ATOM 718 CG1 ILE A 48 1.531 -7.900 -11.837 1.00 4.31 C ATOM 719 CG2 ILE A 48 0.587 -9.590 -13.433 1.00 53.25 C ATOM 720 CD1 ILE A 48 1.309 -6.465 -11.409 1.00 61.15 C ATOM 0 H ILE A 48 3.371 -9.259 -12.968 1.00 45.34 H new ATOM 0 HA ILE A 48 2.020 -8.199 -15.248 1.00 45.34 H new ATOM 0 HB ILE A 48 0.334 -7.475 -13.559 1.00 44.53 H new ATOM 0 HG12 ILE A 48 0.965 -8.559 -11.179 1.00 4.31 H new ATOM 0 HG13 ILE A 48 2.584 -8.150 -11.710 1.00 4.31 H new ATOM 0 HG21 ILE A 48 -0.259 -9.730 -12.760 1.00 53.25 H new ATOM 0 HG22 ILE A 48 0.263 -9.751 -14.461 1.00 53.25 H new ATOM 0 HG23 ILE A 48 1.371 -10.305 -13.183 1.00 53.25 H new ATOM 0 HD11 ILE A 48 1.619 -6.343 -10.371 1.00 61.15 H new ATOM 0 HD12 ILE A 48 1.896 -5.801 -12.043 1.00 61.15 H new ATOM 0 HD13 ILE A 48 0.252 -6.216 -11.504 1.00 61.15 H new ATOM 805 N TRP A 54 -2.546 -2.809 -13.115 1.00 52.44 N ATOM 806 CA TRP A 54 -3.046 -4.122 -12.720 1.00 3.15 C ATOM 807 C TRP A 54 -4.518 -4.049 -12.330 1.00 12.12 C ATOM 808 O TRP A 54 -4.972 -3.053 -11.766 1.00 35.34 O ATOM 809 CB TRP A 54 -2.223 -4.674 -11.554 1.00 2.42 C ATOM 810 CG TRP A 54 -2.588 -6.079 -11.183 1.00 3.33 C ATOM 811 CD1 TRP A 54 -1.934 -7.220 -11.552 1.00 1.00 C ATOM 812 CD2 TRP A 54 -3.694 -6.492 -10.374 1.00 53.21 C ATOM 813 NE1 TRP A 54 -2.567 -8.317 -11.020 1.00 70.41 N ATOM 814 CE2 TRP A 54 -3.648 -7.899 -10.291 1.00 5.55 C ATOM 815 CE3 TRP A 54 -4.716 -5.812 -9.707 1.00 11.41 C ATOM 816 CZ2 TRP A 54 -4.587 -8.632 -9.572 1.00 23.31 C ATOM 817 CZ3 TRP A 54 -5.648 -6.543 -8.993 1.00 25.22 C ATOM 818 CH2 TRP A 54 -5.577 -7.940 -8.930 1.00 51.44 C ATOM 0 HA TRP A 54 -2.949 -4.793 -13.574 1.00 3.15 H new ATOM 0 HB2 TRP A 54 -1.166 -4.638 -11.816 1.00 2.42 H new ATOM 0 HB3 TRP A 54 -2.359 -4.029 -10.686 1.00 2.42 H new ATOM 0 HD1 TRP A 54 -1.050 -7.255 -12.171 1.00 1.00 H new ATOM 0 HE1 TRP A 54 -2.278 -9.287 -11.148 1.00 70.41 H new ATOM 0 HE3 TRP A 54 -4.777 -4.735 -9.748 1.00 11.41 H new ATOM 0 HZ2 TRP A 54 -4.536 -9.710 -9.523 1.00 23.31 H new ATOM 0 HZ3 TRP A 54 -6.444 -6.028 -8.475 1.00 25.22 H new ATOM 0 HH2 TRP A 54 -6.319 -8.482 -8.363 1.00 51.44 H new ATOM 829 N ILE A 55 -5.259 -5.109 -12.635 1.00 14.44 N ATOM 830 CA ILE A 55 -6.680 -5.164 -12.314 1.00 53.14 C ATOM 831 C ILE A 55 -7.064 -6.527 -11.748 1.00 63.44 C ATOM 832 O ILE A 55 -6.244 -7.447 -11.705 1.00 2.41 O ATOM 833 CB ILE A 55 -7.548 -4.872 -13.552 1.00 74.21 C ATOM 834 CG1 ILE A 55 -7.005 -5.621 -14.771 1.00 10.14 C ATOM 835 CG2 ILE A 55 -7.599 -3.375 -13.822 1.00 71.12 C ATOM 836 CD1 ILE A 55 -7.750 -5.311 -16.050 1.00 42.04 C ATOM 0 H ILE A 55 -4.899 -5.941 -13.104 1.00 14.44 H new ATOM 0 HA ILE A 55 -6.863 -4.397 -11.562 1.00 53.14 H new ATOM 0 HB ILE A 55 -8.562 -5.221 -13.357 1.00 74.21 H new ATOM 0 HG12 ILE A 55 -5.953 -5.370 -14.903 1.00 10.14 H new ATOM 0 HG13 ILE A 55 -7.055 -6.693 -14.581 1.00 10.14 H new ATOM 0 HG21 ILE A 55 -8.216 -3.184 -14.700 1.00 71.12 H new ATOM 0 HG22 ILE A 55 -8.027 -2.864 -12.960 1.00 71.12 H new ATOM 0 HG23 ILE A 55 -6.590 -3.003 -14.000 1.00 71.12 H new ATOM 0 HD11 ILE A 55 -7.312 -5.876 -16.872 1.00 42.04 H new ATOM 0 HD12 ILE A 55 -8.798 -5.588 -15.937 1.00 42.04 H new ATOM 0 HD13 ILE A 55 -7.678 -4.245 -16.264 1.00 42.04 H new ATOM 848 N CYS A 56 -8.314 -6.653 -11.318 1.00 35.34 N ATOM 849 CA CYS A 56 -8.808 -7.904 -10.756 1.00 54.13 C ATOM 850 C CYS A 56 -8.787 -9.016 -11.801 1.00 2.01 C ATOM 851 O CYS A 56 -8.231 -10.089 -11.570 1.00 23.22 O ATOM 852 CB CYS A 56 -10.229 -7.720 -10.220 1.00 74.13 C ATOM 853 SG CYS A 56 -10.421 -6.301 -9.094 1.00 50.32 S ATOM 0 H CYS A 56 -9.005 -5.903 -11.348 1.00 35.34 H new ATOM 0 HA CYS A 56 -8.151 -8.189 -9.935 1.00 54.13 H new ATOM 0 HB2 CYS A 56 -10.910 -7.597 -11.062 1.00 74.13 H new ATOM 0 HB3 CYS A 56 -10.529 -8.628 -9.697 1.00 74.13 H new ATOM 0 HG CYS A 56 -11.253 -5.446 -9.611 1.00 50.32 H new ATOM 858 N MET A 57 -9.397 -8.750 -12.951 1.00 24.24 N ATOM 859 CA MET A 57 -9.446 -9.727 -14.034 1.00 14.22 C ATOM 860 C MET A 57 -8.041 -10.126 -14.469 1.00 65.45 C ATOM 861 O MET A 57 -7.844 -11.182 -15.071 1.00 53.44 O ATOM 862 CB MET A 57 -10.221 -9.161 -15.226 1.00 33.02 C ATOM 863 CG MET A 57 -9.680 -7.831 -15.726 1.00 23.53 C ATOM 864 SD MET A 57 -10.971 -6.592 -15.942 1.00 21.01 S ATOM 865 CE MET A 57 -11.353 -6.200 -14.237 1.00 74.12 C ATOM 0 H MET A 57 -9.864 -7.867 -13.158 1.00 24.24 H new ATOM 0 HA MET A 57 -9.959 -10.615 -13.666 1.00 14.22 H new ATOM 0 HB2 MET A 57 -10.196 -9.884 -16.041 1.00 33.02 H new ATOM 0 HB3 MET A 57 -11.266 -9.036 -14.943 1.00 33.02 H new ATOM 0 HG2 MET A 57 -8.938 -7.457 -15.021 1.00 23.53 H new ATOM 0 HG3 MET A 57 -9.168 -7.986 -16.676 1.00 23.53 H new ATOM 0 HE1 MET A 57 -11.899 -5.257 -14.194 1.00 74.12 H new ATOM 0 HE2 MET A 57 -11.966 -6.994 -13.810 1.00 74.12 H new ATOM 0 HE3 MET A 57 -10.428 -6.110 -13.668 1.00 74.12 H new ATOM 875 N ASN A 58 -7.066 -9.277 -14.163 1.00 11.11 N ATOM 876 CA ASN A 58 -5.679 -9.543 -14.524 1.00 23.42 C ATOM 877 C ASN A 58 -5.024 -10.482 -13.515 1.00 32.53 C ATOM 878 O ASN A 58 -3.916 -10.970 -13.734 1.00 31.33 O ATOM 879 CB ASN A 58 -4.891 -8.233 -14.605 1.00 72.41 C ATOM 880 CG ASN A 58 -4.828 -7.683 -16.016 1.00 12.14 C ATOM 881 OD1 ASN A 58 -3.776 -7.236 -16.474 1.00 60.22 O ATOM 882 ND2 ASN A 58 -5.958 -7.711 -16.713 1.00 42.22 N ATOM 0 H ASN A 58 -7.211 -8.398 -13.666 1.00 11.11 H new ATOM 0 HA ASN A 58 -5.670 -10.026 -15.501 1.00 23.42 H new ATOM 0 HB2 ASN A 58 -5.352 -7.494 -13.950 1.00 72.41 H new ATOM 0 HB3 ASN A 58 -3.878 -8.398 -14.237 1.00 72.41 H new ATOM 0 HD21 ASN A 58 -5.977 -7.353 -17.668 1.00 42.22 H new ATOM 0 HD22 ASN A 58 -6.807 -8.091 -16.293 1.00 42.22 H new ATOM 889 N ASN A 59 -5.718 -10.730 -12.409 1.00 20.52 N ATOM 890 CA ASN A 59 -5.204 -11.610 -11.366 1.00 62.34 C ATOM 891 C ASN A 59 -4.767 -12.950 -11.951 1.00 2.40 C ATOM 892 O ASN A 59 -5.428 -13.499 -12.833 1.00 52.30 O ATOM 893 CB ASN A 59 -6.267 -11.833 -10.289 1.00 53.13 C ATOM 894 CG ASN A 59 -5.721 -12.571 -9.082 1.00 13.42 C ATOM 895 OD1 ASN A 59 -4.513 -12.767 -8.954 1.00 1.11 O ATOM 896 ND2 ASN A 59 -6.613 -12.985 -8.189 1.00 13.12 N ATOM 0 H ASN A 59 -6.637 -10.334 -12.212 1.00 20.52 H new ATOM 0 HA ASN A 59 -4.335 -11.130 -10.916 1.00 62.34 H new ATOM 0 HB2 ASN A 59 -6.667 -10.870 -9.972 1.00 53.13 H new ATOM 0 HB3 ASN A 59 -7.097 -12.399 -10.713 1.00 53.13 H new ATOM 0 HD21 ASN A 59 -6.306 -13.488 -7.356 1.00 13.12 H new ATOM 0 HD22 ASN A 59 -7.605 -12.800 -8.336 1.00 13.12 H new ATOM 903 N SER A 60 -3.651 -13.471 -11.454 1.00 32.34 N ATOM 904 CA SER A 60 -3.123 -14.745 -11.929 1.00 10.42 C ATOM 905 C SER A 60 -4.105 -15.879 -11.645 1.00 22.03 C ATOM 906 O SER A 60 -4.135 -16.881 -12.360 1.00 15.23 O ATOM 907 CB SER A 60 -1.777 -15.043 -11.266 1.00 15.51 C ATOM 908 OG SER A 60 -0.736 -15.092 -12.226 1.00 74.30 O ATOM 0 H SER A 60 -3.094 -13.031 -10.722 1.00 32.34 H new ATOM 0 HA SER A 60 -2.980 -14.672 -13.007 1.00 10.42 H new ATOM 0 HB2 SER A 60 -1.556 -14.276 -10.524 1.00 15.51 H new ATOM 0 HB3 SER A 60 -1.832 -15.994 -10.735 1.00 15.51 H new ATOM 0 HG SER A 60 0.114 -15.282 -11.777 1.00 74.30 H new ATOM 914 N ASP A 61 -4.906 -15.711 -10.599 1.00 31.02 N ATOM 915 CA ASP A 61 -5.890 -16.719 -10.220 1.00 25.51 C ATOM 916 C ASP A 61 -7.025 -16.779 -11.238 1.00 32.44 C ATOM 917 O ASP A 61 -7.060 -16.001 -12.192 1.00 73.12 O ATOM 918 CB ASP A 61 -6.450 -16.417 -8.830 1.00 72.45 C ATOM 919 CG ASP A 61 -6.549 -17.659 -7.965 1.00 34.33 C ATOM 920 OD1 ASP A 61 -5.620 -18.492 -8.014 1.00 32.34 O ATOM 921 OD2 ASP A 61 -7.556 -17.798 -7.238 1.00 64.45 O ATOM 0 H ASP A 61 -4.894 -14.887 -9.998 1.00 31.02 H new ATOM 0 HA ASP A 61 -5.393 -17.689 -10.200 1.00 25.51 H new ATOM 0 HB2 ASP A 61 -5.813 -15.683 -8.336 1.00 72.45 H new ATOM 0 HB3 ASP A 61 -7.438 -15.967 -8.929 1.00 72.45 H new ATOM 926 N LYS A 62 -7.952 -17.707 -11.028 1.00 30.22 N ATOM 927 CA LYS A 62 -9.089 -17.870 -11.926 1.00 11.04 C ATOM 928 C LYS A 62 -10.400 -17.894 -11.145 1.00 61.44 C ATOM 929 O LYS A 62 -11.475 -18.048 -11.724 1.00 54.04 O ATOM 930 CB LYS A 62 -8.944 -19.158 -12.739 1.00 33.20 C ATOM 931 CG LYS A 62 -8.983 -20.419 -11.892 1.00 32.01 C ATOM 932 CD LYS A 62 -7.585 -20.886 -11.523 1.00 60.52 C ATOM 933 CE LYS A 62 -7.544 -21.467 -10.118 1.00 32.22 C ATOM 934 NZ LYS A 62 -6.477 -20.839 -9.289 1.00 64.41 N ATOM 0 H LYS A 62 -7.938 -18.358 -10.243 1.00 30.22 H new ATOM 0 HA LYS A 62 -9.107 -17.019 -12.607 1.00 11.04 H new ATOM 0 HB2 LYS A 62 -9.743 -19.203 -13.479 1.00 33.20 H new ATOM 0 HB3 LYS A 62 -8.003 -19.128 -13.288 1.00 33.20 H new ATOM 0 HG2 LYS A 62 -9.556 -20.231 -10.984 1.00 32.01 H new ATOM 0 HG3 LYS A 62 -9.499 -21.209 -12.437 1.00 32.01 H new ATOM 0 HD2 LYS A 62 -7.251 -21.637 -12.238 1.00 60.52 H new ATOM 0 HD3 LYS A 62 -6.891 -20.049 -11.592 1.00 60.52 H new ATOM 0 HE2 LYS A 62 -8.511 -21.322 -9.636 1.00 32.22 H new ATOM 0 HE3 LYS A 62 -7.375 -22.542 -10.174 1.00 32.22 H new ATOM 0 HZ1 LYS A 62 -6.666 -21.023 -8.283 1.00 64.41 H new ATOM 0 HZ2 LYS A 62 -5.554 -21.242 -9.548 1.00 64.41 H new ATOM 0 HZ3 LYS A 62 -6.466 -19.813 -9.457 1.00 64.41 H new ATOM 948 N ARG A 63 -10.302 -17.739 -9.829 1.00 60.25 N ATOM 949 CA ARG A 63 -11.479 -17.743 -8.969 1.00 63.31 C ATOM 950 C ARG A 63 -11.775 -16.341 -8.446 1.00 2.40 C ATOM 951 O ARG A 63 -12.931 -15.984 -8.215 1.00 33.42 O ATOM 952 CB ARG A 63 -11.278 -18.705 -7.797 1.00 22.24 C ATOM 953 CG ARG A 63 -11.111 -20.155 -8.220 1.00 32.33 C ATOM 954 CD ARG A 63 -12.287 -20.630 -9.058 1.00 3.21 C ATOM 955 NE ARG A 63 -12.855 -21.875 -8.549 1.00 53.41 N ATOM 956 CZ ARG A 63 -13.952 -22.439 -9.042 1.00 11.34 C ATOM 957 NH1 ARG A 63 -14.595 -21.872 -10.053 1.00 22.12 N ATOM 958 NH2 ARG A 63 -14.407 -23.573 -8.524 1.00 42.43 N ATOM 0 H ARG A 63 -9.419 -17.609 -9.335 1.00 60.25 H new ATOM 0 HA ARG A 63 -12.330 -18.078 -9.562 1.00 63.31 H new ATOM 0 HB2 ARG A 63 -10.398 -18.397 -7.232 1.00 22.24 H new ATOM 0 HB3 ARG A 63 -12.132 -18.628 -7.124 1.00 22.24 H new ATOM 0 HG2 ARG A 63 -10.189 -20.265 -8.790 1.00 32.33 H new ATOM 0 HG3 ARG A 63 -11.016 -20.784 -7.335 1.00 32.33 H new ATOM 0 HD2 ARG A 63 -13.057 -19.859 -9.071 1.00 3.21 H new ATOM 0 HD3 ARG A 63 -11.963 -20.774 -10.089 1.00 3.21 H new ATOM 0 HE ARG A 63 -12.383 -22.337 -7.772 1.00 53.41 H new ATOM 0 HH11 ARG A 63 -14.248 -21.001 -10.454 1.00 22.12 H new ATOM 0 HH12 ARG A 63 -15.437 -22.307 -10.430 1.00 22.12 H new ATOM 0 HH21 ARG A 63 -13.914 -24.012 -7.746 1.00 42.43 H new ATOM 0 HH22 ARG A 63 -15.249 -24.005 -8.903 1.00 42.43 H new ATOM 972 N PHE A 64 -10.724 -15.550 -8.261 1.00 30.43 N ATOM 973 CA PHE A 64 -10.870 -14.187 -7.762 1.00 4.11 C ATOM 974 C PHE A 64 -10.319 -13.180 -8.768 1.00 11.42 C ATOM 975 O PHE A 64 -9.920 -12.075 -8.400 1.00 2.53 O ATOM 976 CB PHE A 64 -10.151 -14.032 -6.421 1.00 31.03 C ATOM 977 CG PHE A 64 -11.047 -14.236 -5.234 1.00 35.42 C ATOM 978 CD1 PHE A 64 -11.891 -15.332 -5.167 1.00 61.35 C ATOM 979 CD2 PHE A 64 -11.045 -13.332 -4.184 1.00 10.54 C ATOM 980 CE1 PHE A 64 -12.717 -15.524 -4.075 1.00 34.44 C ATOM 981 CE2 PHE A 64 -11.868 -13.518 -3.089 1.00 3.10 C ATOM 982 CZ PHE A 64 -12.706 -14.615 -3.035 1.00 51.41 C ATOM 0 H PHE A 64 -9.761 -15.829 -8.449 1.00 30.43 H new ATOM 0 HA PHE A 64 -11.932 -13.989 -7.620 1.00 4.11 H new ATOM 0 HB2 PHE A 64 -9.330 -14.747 -6.373 1.00 31.03 H new ATOM 0 HB3 PHE A 64 -9.710 -13.036 -6.367 1.00 31.03 H new ATOM 0 HD1 PHE A 64 -11.904 -16.045 -5.978 1.00 61.35 H new ATOM 0 HD2 PHE A 64 -10.393 -12.472 -4.221 1.00 10.54 H new ATOM 0 HE1 PHE A 64 -13.370 -16.383 -4.035 1.00 34.44 H new ATOM 0 HE2 PHE A 64 -11.856 -12.806 -2.277 1.00 3.10 H new ATOM 0 HZ PHE A 64 -13.351 -14.762 -2.181 1.00 51.41 H new ATOM 992 N ALA A 65 -10.301 -13.569 -10.038 1.00 5.32 N ATOM 993 CA ALA A 65 -9.802 -12.700 -11.097 1.00 51.41 C ATOM 994 C ALA A 65 -10.947 -11.984 -11.805 1.00 32.14 C ATOM 995 O ALA A 65 -11.293 -12.315 -12.938 1.00 42.03 O ATOM 996 CB ALA A 65 -8.982 -13.503 -12.095 1.00 31.12 C ATOM 0 H ALA A 65 -10.626 -14.481 -10.359 1.00 5.32 H new ATOM 0 HA ALA A 65 -9.162 -11.944 -10.642 1.00 51.41 H new ATOM 0 HB1 ALA A 65 -8.616 -12.842 -12.880 1.00 31.12 H new ATOM 0 HB2 ALA A 65 -8.136 -13.963 -11.584 1.00 31.12 H new ATOM 0 HB3 ALA A 65 -9.606 -14.280 -12.537 1.00 31.12 H new ATOM 1002 N ASP A 66 -11.532 -11.000 -11.129 1.00 33.52 N ATOM 1003 CA ASP A 66 -12.637 -10.236 -11.693 1.00 43.35 C ATOM 1004 C ASP A 66 -13.085 -9.138 -10.734 1.00 50.34 C ATOM 1005 O ASP A 66 -13.102 -9.330 -9.518 1.00 52.15 O ATOM 1006 CB ASP A 66 -13.813 -11.161 -12.014 1.00 35.45 C ATOM 1007 CG ASP A 66 -13.909 -11.484 -13.492 1.00 72.55 C ATOM 1008 OD1 ASP A 66 -14.110 -10.548 -14.293 1.00 63.21 O ATOM 1009 OD2 ASP A 66 -13.780 -12.674 -13.848 1.00 41.43 O ATOM 0 H ASP A 66 -11.258 -10.714 -10.189 1.00 33.52 H new ATOM 0 HA ASP A 66 -12.290 -9.769 -12.614 1.00 43.35 H new ATOM 0 HB2 ASP A 66 -13.708 -12.087 -11.449 1.00 35.45 H new ATOM 0 HB3 ASP A 66 -14.741 -10.691 -11.687 1.00 35.45 H new ATOM 1014 N CYS A 67 -13.447 -7.986 -11.288 1.00 32.44 N ATOM 1015 CA CYS A 67 -13.893 -6.856 -10.483 1.00 61.01 C ATOM 1016 C CYS A 67 -15.141 -7.217 -9.684 1.00 52.22 C ATOM 1017 O CYS A 67 -15.417 -6.624 -8.641 1.00 74.41 O ATOM 1018 CB CYS A 67 -14.178 -5.647 -11.377 1.00 73.51 C ATOM 1019 SG CYS A 67 -12.745 -4.548 -11.619 1.00 12.25 S ATOM 0 H CYS A 67 -13.440 -7.811 -12.293 1.00 32.44 H new ATOM 0 HA CYS A 67 -13.096 -6.603 -9.784 1.00 61.01 H new ATOM 0 HB2 CYS A 67 -14.520 -6.000 -12.350 1.00 73.51 H new ATOM 0 HB3 CYS A 67 -14.995 -5.071 -10.942 1.00 73.51 H new ATOM 0 HG CYS A 67 -12.468 -3.944 -10.502 1.00 12.25 H new ATOM 1024 N SER A 68 -15.894 -8.193 -10.181 1.00 44.14 N ATOM 1025 CA SER A 68 -17.115 -8.632 -9.516 1.00 12.12 C ATOM 1026 C SER A 68 -16.795 -9.342 -8.205 1.00 73.43 C ATOM 1027 O SER A 68 -17.659 -9.499 -7.342 1.00 1.12 O ATOM 1028 CB SER A 68 -17.914 -9.562 -10.432 1.00 15.22 C ATOM 1029 OG SER A 68 -19.298 -9.511 -10.129 1.00 20.24 O ATOM 0 H SER A 68 -15.680 -8.695 -11.043 1.00 44.14 H new ATOM 0 HA SER A 68 -17.715 -7.750 -9.293 1.00 12.12 H new ATOM 0 HB2 SER A 68 -17.756 -9.277 -11.472 1.00 15.22 H new ATOM 0 HB3 SER A 68 -17.552 -10.584 -10.323 1.00 15.22 H new ATOM 0 HG SER A 68 -19.787 -10.113 -10.729 1.00 20.24 H new ATOM 1035 N LYS A 69 -15.545 -9.771 -8.061 1.00 42.05 N ATOM 1036 CA LYS A 69 -15.107 -10.465 -6.856 1.00 10.23 C ATOM 1037 C LYS A 69 -15.058 -9.510 -5.668 1.00 33.21 C ATOM 1038 O LYS A 69 -14.915 -9.937 -4.522 1.00 53.11 O ATOM 1039 CB LYS A 69 -13.730 -11.093 -7.077 1.00 50.10 C ATOM 1040 CG LYS A 69 -13.643 -11.943 -8.334 1.00 13.13 C ATOM 1041 CD LYS A 69 -14.403 -13.248 -8.177 1.00 41.34 C ATOM 1042 CE LYS A 69 -15.864 -13.095 -8.572 1.00 1.23 C ATOM 1043 NZ LYS A 69 -16.781 -13.542 -7.487 1.00 11.24 N ATOM 0 H LYS A 69 -14.817 -9.650 -8.765 1.00 42.05 H new ATOM 0 HA LYS A 69 -15.827 -11.253 -6.637 1.00 10.23 H new ATOM 0 HB2 LYS A 69 -12.983 -10.301 -7.132 1.00 50.10 H new ATOM 0 HB3 LYS A 69 -13.478 -11.709 -6.214 1.00 50.10 H new ATOM 0 HG2 LYS A 69 -14.046 -11.386 -9.180 1.00 13.13 H new ATOM 0 HG3 LYS A 69 -12.598 -12.154 -8.560 1.00 13.13 H new ATOM 0 HD2 LYS A 69 -13.937 -14.017 -8.793 1.00 41.34 H new ATOM 0 HD3 LYS A 69 -14.338 -13.585 -7.143 1.00 41.34 H new ATOM 0 HE2 LYS A 69 -16.068 -12.052 -8.813 1.00 1.23 H new ATOM 0 HE3 LYS A 69 -16.059 -13.675 -9.474 1.00 1.23 H new ATOM 0 HZ1 LYS A 69 -17.679 -13.022 -7.555 1.00 11.24 H new ATOM 0 HZ2 LYS A 69 -16.963 -14.561 -7.584 1.00 11.24 H new ATOM 0 HZ3 LYS A 69 -16.342 -13.355 -6.563 1.00 11.24 H new ATOM 1057 N SER A 70 -15.177 -8.216 -5.948 1.00 14.32 N ATOM 1058 CA SER A 70 -15.143 -7.201 -4.901 1.00 52.51 C ATOM 1059 C SER A 70 -13.784 -7.180 -4.208 1.00 22.40 C ATOM 1060 O SER A 70 -12.834 -7.816 -4.664 1.00 63.32 O ATOM 1061 CB SER A 70 -16.248 -7.460 -3.875 1.00 20.53 C ATOM 1062 OG SER A 70 -16.628 -6.260 -3.222 1.00 43.14 O ATOM 0 H SER A 70 -15.298 -7.846 -6.891 1.00 14.32 H new ATOM 0 HA SER A 70 -15.309 -6.229 -5.366 1.00 52.51 H new ATOM 0 HB2 SER A 70 -17.114 -7.898 -4.371 1.00 20.53 H new ATOM 0 HB3 SER A 70 -15.902 -8.185 -3.138 1.00 20.53 H new ATOM 0 HG SER A 70 -17.337 -6.451 -2.572 1.00 43.14 H new ATOM 1068 N GLN A 71 -13.700 -6.445 -3.105 1.00 13.53 N ATOM 1069 CA GLN A 71 -12.458 -6.340 -2.348 1.00 2.31 C ATOM 1070 C GLN A 71 -12.072 -7.687 -1.748 1.00 32.21 C ATOM 1071 O GLN A 71 -12.934 -8.471 -1.354 1.00 51.01 O ATOM 1072 CB GLN A 71 -12.597 -5.294 -1.241 1.00 60.05 C ATOM 1073 CG GLN A 71 -11.394 -5.227 -0.314 1.00 20.24 C ATOM 1074 CD GLN A 71 -10.995 -3.802 0.021 1.00 63.33 C ATOM 1075 OE1 GLN A 71 -11.846 -2.924 0.160 1.00 32.14 O ATOM 1076 NE2 GLN A 71 -9.695 -3.567 0.151 1.00 35.13 N ATOM 0 H GLN A 71 -14.478 -5.913 -2.715 1.00 13.53 H new ATOM 0 HA GLN A 71 -11.669 -6.029 -3.033 1.00 2.31 H new ATOM 0 HB2 GLN A 71 -12.751 -4.315 -1.695 1.00 60.05 H new ATOM 0 HB3 GLN A 71 -13.487 -5.516 -0.652 1.00 60.05 H new ATOM 0 HG2 GLN A 71 -11.620 -5.764 0.608 1.00 20.24 H new ATOM 0 HG3 GLN A 71 -10.551 -5.736 -0.781 1.00 20.24 H new ATOM 0 HE21 GLN A 71 -9.025 -4.326 0.027 1.00 35.13 H new ATOM 0 HE22 GLN A 71 -9.366 -2.628 0.375 1.00 35.13 H new ATOM 1085 N GLU A 72 -10.770 -7.949 -1.681 1.00 31.54 N ATOM 1086 CA GLU A 72 -10.270 -9.202 -1.129 1.00 52.22 C ATOM 1087 C GLU A 72 -10.278 -9.165 0.397 1.00 74.33 C ATOM 1088 O GLU A 72 -10.889 -10.014 1.045 1.00 72.41 O ATOM 1089 CB GLU A 72 -8.854 -9.480 -1.636 1.00 61.13 C ATOM 1090 CG GLU A 72 -8.816 -10.113 -3.018 1.00 34.34 C ATOM 1091 CD GLU A 72 -9.807 -9.482 -3.975 1.00 62.04 C ATOM 1092 OE1 GLU A 72 -9.719 -8.256 -4.197 1.00 53.24 O ATOM 1093 OE2 GLU A 72 -10.671 -10.213 -4.504 1.00 73.31 O ATOM 0 H GLU A 72 -10.043 -7.310 -2.002 1.00 31.54 H new ATOM 0 HA GLU A 72 -10.930 -10.004 -1.460 1.00 52.22 H new ATOM 0 HB2 GLU A 72 -8.295 -8.545 -1.658 1.00 61.13 H new ATOM 0 HB3 GLU A 72 -8.347 -10.138 -0.930 1.00 61.13 H new ATOM 0 HG2 GLU A 72 -7.811 -10.020 -3.429 1.00 34.34 H new ATOM 0 HG3 GLU A 72 -9.028 -11.179 -2.932 1.00 34.34 H new ATOM 1100 N MET A 73 -9.592 -8.177 0.962 1.00 72.20 N ATOM 1101 CA MET A 73 -9.520 -8.029 2.412 1.00 65.21 C ATOM 1102 C MET A 73 -10.058 -6.670 2.846 1.00 15.20 C ATOM 1103 O MET A 73 -9.928 -5.681 2.126 1.00 2.53 O ATOM 1104 CB MET A 73 -8.077 -8.198 2.891 1.00 20.34 C ATOM 1105 CG MET A 73 -7.557 -9.620 2.766 1.00 45.01 C ATOM 1106 SD MET A 73 -6.356 -10.036 4.045 1.00 23.41 S ATOM 1107 CE MET A 73 -5.480 -8.481 4.206 1.00 2.50 C ATOM 0 H MET A 73 -9.078 -7.468 0.439 1.00 72.20 H new ATOM 0 HA MET A 73 -10.138 -8.805 2.864 1.00 65.21 H new ATOM 0 HB2 MET A 73 -7.432 -7.533 2.317 1.00 20.34 H new ATOM 0 HB3 MET A 73 -8.010 -7.886 3.933 1.00 20.34 H new ATOM 0 HG2 MET A 73 -8.395 -10.315 2.820 1.00 45.01 H new ATOM 0 HG3 MET A 73 -7.098 -9.750 1.786 1.00 45.01 H new ATOM 0 HE1 MET A 73 -4.414 -8.675 4.329 1.00 2.50 H new ATOM 0 HE2 MET A 73 -5.639 -7.880 3.311 1.00 2.50 H new ATOM 0 HE3 MET A 73 -5.853 -7.941 5.076 1.00 2.50 H new ATOM 1117 N SER A 74 -10.662 -6.629 4.031 1.00 24.34 N ATOM 1118 CA SER A 74 -11.223 -5.391 4.560 1.00 22.04 C ATOM 1119 C SER A 74 -10.129 -4.352 4.787 1.00 25.13 C ATOM 1120 O SER A 74 -8.972 -4.695 5.025 1.00 2.00 O ATOM 1121 CB SER A 74 -11.964 -5.662 5.870 1.00 3.31 C ATOM 1122 OG SER A 74 -12.790 -6.808 5.761 1.00 2.51 O ATOM 0 H SER A 74 -10.775 -7.438 4.642 1.00 24.34 H new ATOM 0 HA SER A 74 -11.927 -4.997 3.827 1.00 22.04 H new ATOM 0 HB2 SER A 74 -11.244 -5.804 6.676 1.00 3.31 H new ATOM 0 HB3 SER A 74 -12.571 -4.796 6.134 1.00 3.31 H new ATOM 0 HG SER A 74 -13.251 -6.961 6.612 1.00 2.51 H new ATOM 1128 N ASN A 75 -10.505 -3.079 4.709 1.00 74.12 N ATOM 1129 CA ASN A 75 -9.556 -1.989 4.906 1.00 4.33 C ATOM 1130 C ASN A 75 -8.761 -2.185 6.192 1.00 1.10 C ATOM 1131 O ASN A 75 -7.553 -1.955 6.226 1.00 75.20 O ATOM 1132 CB ASN A 75 -10.291 -0.648 4.946 1.00 45.41 C ATOM 1133 CG ASN A 75 -10.214 0.094 3.625 1.00 62.11 C ATOM 1134 OD1 ASN A 75 -11.234 0.505 3.071 1.00 25.31 O ATOM 1135 ND2 ASN A 75 -9.001 0.268 3.114 1.00 31.52 N ATOM 0 H ASN A 75 -11.459 -2.777 4.511 1.00 74.12 H new ATOM 0 HA ASN A 75 -8.860 -1.990 4.067 1.00 4.33 H new ATOM 0 HB2 ASN A 75 -11.336 -0.817 5.204 1.00 45.41 H new ATOM 0 HB3 ASN A 75 -9.865 -0.027 5.734 1.00 45.41 H new ATOM 0 HD21 ASN A 75 -8.887 0.759 2.228 1.00 31.52 H new ATOM 0 HD22 ASN A 75 -8.183 -0.090 3.608 1.00 31.52 H new ATOM 1142 N GLU A 76 -9.448 -2.611 7.247 1.00 35.41 N ATOM 1143 CA GLU A 76 -8.805 -2.837 8.536 1.00 31.13 C ATOM 1144 C GLU A 76 -7.727 -3.912 8.426 1.00 3.21 C ATOM 1145 O GLU A 76 -6.613 -3.741 8.919 1.00 14.31 O ATOM 1146 CB GLU A 76 -9.842 -3.246 9.584 1.00 10.31 C ATOM 1147 CG GLU A 76 -10.681 -4.445 9.175 1.00 20.13 C ATOM 1148 CD GLU A 76 -11.849 -4.685 10.111 1.00 51.32 C ATOM 1149 OE1 GLU A 76 -11.650 -4.607 11.341 1.00 22.15 O ATOM 1150 OE2 GLU A 76 -12.963 -4.953 9.613 1.00 3.15 O ATOM 0 H GLU A 76 -10.449 -2.806 7.235 1.00 35.41 H new ATOM 0 HA GLU A 76 -8.334 -1.904 8.846 1.00 31.13 H new ATOM 0 HB2 GLU A 76 -9.331 -3.473 10.519 1.00 10.31 H new ATOM 0 HB3 GLU A 76 -10.502 -2.401 9.779 1.00 10.31 H new ATOM 0 HG2 GLU A 76 -11.056 -4.293 8.163 1.00 20.13 H new ATOM 0 HG3 GLU A 76 -10.051 -5.334 9.151 1.00 20.13 H new ATOM 1157 N GLU A 77 -8.068 -5.019 7.774 1.00 2.11 N ATOM 1158 CA GLU A 77 -7.130 -6.122 7.600 1.00 4.32 C ATOM 1159 C GLU A 77 -5.873 -5.656 6.871 1.00 61.24 C ATOM 1160 O GLU A 77 -4.755 -5.981 7.272 1.00 14.52 O ATOM 1161 CB GLU A 77 -7.790 -7.263 6.823 1.00 72.34 C ATOM 1162 CG GLU A 77 -7.236 -8.635 7.170 1.00 53.15 C ATOM 1163 CD GLU A 77 -7.642 -9.094 8.557 1.00 40.20 C ATOM 1164 OE1 GLU A 77 -8.838 -9.396 8.755 1.00 60.01 O ATOM 1165 OE2 GLU A 77 -6.765 -9.151 9.443 1.00 72.01 O ATOM 0 H GLU A 77 -8.986 -5.176 7.358 1.00 2.11 H new ATOM 0 HA GLU A 77 -6.844 -6.482 8.588 1.00 4.32 H new ATOM 0 HB2 GLU A 77 -8.862 -7.253 7.020 1.00 72.34 H new ATOM 0 HB3 GLU A 77 -7.660 -7.087 5.755 1.00 72.34 H new ATOM 0 HG2 GLU A 77 -7.585 -9.360 6.435 1.00 53.15 H new ATOM 0 HG3 GLU A 77 -6.148 -8.611 7.103 1.00 53.15 H new ATOM 1172 N ILE A 78 -6.065 -4.896 5.799 1.00 33.11 N ATOM 1173 CA ILE A 78 -4.946 -4.385 5.015 1.00 53.54 C ATOM 1174 C ILE A 78 -4.139 -3.365 5.809 1.00 75.43 C ATOM 1175 O ILE A 78 -2.913 -3.447 5.878 1.00 71.34 O ATOM 1176 CB ILE A 78 -5.429 -3.735 3.705 1.00 32.34 C ATOM 1177 CG1 ILE A 78 -6.211 -4.746 2.864 1.00 21.44 C ATOM 1178 CG2 ILE A 78 -4.246 -3.186 2.920 1.00 43.21 C ATOM 1179 CD1 ILE A 78 -7.442 -4.163 2.207 1.00 54.51 C ATOM 0 H ILE A 78 -6.984 -4.620 5.453 1.00 33.11 H new ATOM 0 HA ILE A 78 -4.311 -5.238 4.776 1.00 53.54 H new ATOM 0 HB ILE A 78 -6.094 -2.907 3.951 1.00 32.34 H new ATOM 0 HG12 ILE A 78 -5.555 -5.150 2.093 1.00 21.44 H new ATOM 0 HG13 ILE A 78 -6.509 -5.581 3.498 1.00 21.44 H new ATOM 0 HG21 ILE A 78 -4.602 -2.730 1.997 1.00 43.21 H new ATOM 0 HG22 ILE A 78 -3.728 -2.437 3.519 1.00 43.21 H new ATOM 0 HG23 ILE A 78 -3.559 -3.998 2.682 1.00 43.21 H new ATOM 0 HD11 ILE A 78 -7.946 -4.936 1.628 1.00 54.51 H new ATOM 0 HD12 ILE A 78 -8.119 -3.785 2.973 1.00 54.51 H new ATOM 0 HD13 ILE A 78 -7.150 -3.347 1.546 1.00 54.51 H new ATOM 1191 N ASN A 79 -4.834 -2.405 6.409 1.00 2.22 N ATOM 1192 CA ASN A 79 -4.182 -1.368 7.200 1.00 22.24 C ATOM 1193 C ASN A 79 -3.247 -1.983 8.237 1.00 31.33 C ATOM 1194 O ASN A 79 -2.100 -1.560 8.381 1.00 73.31 O ATOM 1195 CB ASN A 79 -5.227 -0.493 7.895 1.00 52.25 C ATOM 1196 CG ASN A 79 -4.948 -0.326 9.377 1.00 43.55 C ATOM 1197 OD1 ASN A 79 -4.156 0.526 9.779 1.00 42.13 O ATOM 1198 ND2 ASN A 79 -5.600 -1.142 10.197 1.00 51.35 N ATOM 0 H ASN A 79 -5.850 -2.323 6.363 1.00 2.22 H new ATOM 0 HA ASN A 79 -3.591 -0.749 6.525 1.00 22.24 H new ATOM 0 HB2 ASN A 79 -5.250 0.488 7.420 1.00 52.25 H new ATOM 0 HB3 ASN A 79 -6.214 -0.935 7.761 1.00 52.25 H new ATOM 0 HD21 ASN A 79 -5.453 -1.077 11.204 1.00 51.35 H new ATOM 0 HD22 ASN A 79 -6.248 -1.834 9.820 1.00 51.35 H new ATOM 1205 N GLU A 80 -3.745 -2.985 8.956 1.00 24.24 N ATOM 1206 CA GLU A 80 -2.954 -3.658 9.978 1.00 21.21 C ATOM 1207 C GLU A 80 -1.942 -4.610 9.345 1.00 75.01 C ATOM 1208 O GLU A 80 -0.883 -4.873 9.914 1.00 4.21 O ATOM 1209 CB GLU A 80 -3.865 -4.428 10.935 1.00 55.41 C ATOM 1210 CG GLU A 80 -4.145 -5.854 10.495 1.00 62.43 C ATOM 1211 CD GLU A 80 -3.089 -6.831 10.975 1.00 62.31 C ATOM 1212 OE1 GLU A 80 -2.571 -6.642 12.096 1.00 23.50 O ATOM 1213 OE2 GLU A 80 -2.780 -7.784 10.230 1.00 64.30 O ATOM 0 H GLU A 80 -4.692 -3.348 8.849 1.00 24.24 H new ATOM 0 HA GLU A 80 -2.410 -2.898 10.538 1.00 21.21 H new ATOM 0 HB2 GLU A 80 -3.407 -4.445 11.924 1.00 55.41 H new ATOM 0 HB3 GLU A 80 -4.811 -3.894 11.031 1.00 55.41 H new ATOM 0 HG2 GLU A 80 -5.119 -6.163 10.874 1.00 62.43 H new ATOM 0 HG3 GLU A 80 -4.200 -5.890 9.407 1.00 62.43 H new ATOM 1220 N GLU A 81 -2.279 -5.123 8.166 1.00 2.04 N ATOM 1221 CA GLU A 81 -1.401 -6.046 7.457 1.00 1.35 C ATOM 1222 C GLU A 81 -0.054 -5.396 7.159 1.00 31.45 C ATOM 1223 O GLU A 81 0.999 -5.945 7.486 1.00 60.40 O ATOM 1224 CB GLU A 81 -2.056 -6.507 6.153 1.00 52.25 C ATOM 1225 CG GLU A 81 -1.152 -7.372 5.291 1.00 43.34 C ATOM 1226 CD GLU A 81 -0.707 -8.638 5.999 1.00 4.44 C ATOM 1227 OE1 GLU A 81 -1.568 -9.505 6.259 1.00 31.13 O ATOM 1228 OE2 GLU A 81 0.500 -8.760 6.293 1.00 65.20 O ATOM 0 H GLU A 81 -3.153 -4.915 7.682 1.00 2.04 H new ATOM 0 HA GLU A 81 -1.233 -6.912 8.098 1.00 1.35 H new ATOM 0 HB2 GLU A 81 -2.962 -7.065 6.389 1.00 52.25 H new ATOM 0 HB3 GLU A 81 -2.361 -5.631 5.580 1.00 52.25 H new ATOM 0 HG2 GLU A 81 -1.677 -7.639 4.374 1.00 43.34 H new ATOM 0 HG3 GLU A 81 -0.274 -6.796 4.999 1.00 43.34 H new ATOM 1235 N LEU A 82 -0.093 -4.223 6.538 1.00 23.13 N ATOM 1236 CA LEU A 82 1.124 -3.496 6.194 1.00 72.44 C ATOM 1237 C LEU A 82 1.571 -2.607 7.351 1.00 24.21 C ATOM 1238 O LEU A 82 2.761 -2.341 7.519 1.00 73.34 O ATOM 1239 CB LEU A 82 0.901 -2.649 4.940 1.00 14.32 C ATOM 1240 CG LEU A 82 0.219 -3.354 3.768 1.00 0.44 C ATOM 1241 CD1 LEU A 82 -1.225 -2.896 3.637 1.00 1.40 C ATOM 1242 CD2 LEU A 82 0.980 -3.097 2.475 1.00 71.51 C ATOM 0 H LEU A 82 -0.956 -3.754 6.262 1.00 23.13 H new ATOM 0 HA LEU A 82 1.909 -4.225 5.995 1.00 72.44 H new ATOM 0 HB2 LEU A 82 0.302 -1.780 5.214 1.00 14.32 H new ATOM 0 HB3 LEU A 82 1.867 -2.276 4.601 1.00 14.32 H new ATOM 0 HG LEU A 82 0.223 -4.427 3.962 1.00 0.44 H new ATOM 0 HD11 LEU A 82 -1.695 -3.409 2.797 1.00 1.40 H new ATOM 0 HD12 LEU A 82 -1.766 -3.131 4.554 1.00 1.40 H new ATOM 0 HD13 LEU A 82 -1.251 -1.820 3.466 1.00 1.40 H new ATOM 0 HD21 LEU A 82 0.480 -3.607 1.651 1.00 71.51 H new ATOM 0 HD22 LEU A 82 1.008 -2.026 2.276 1.00 71.51 H new ATOM 0 HD23 LEU A 82 1.998 -3.474 2.571 1.00 71.51 H new ATOM 1254 N GLY A 83 0.609 -2.149 8.145 1.00 12.30 N ATOM 1255 CA GLY A 83 0.923 -1.296 9.277 1.00 44.20 C ATOM 1256 C GLY A 83 0.868 0.177 8.925 1.00 4.43 C ATOM 1257 O GLY A 83 1.686 0.966 9.397 1.00 55.33 O ATOM 0 H GLY A 83 -0.383 -2.353 8.025 1.00 12.30 H new ATOM 0 HA2 GLY A 83 0.222 -1.499 10.087 1.00 44.20 H new ATOM 0 HA3 GLY A 83 1.918 -1.541 9.648 1.00 44.20 H new ATOM 1261 N ILE A 84 -0.099 0.548 8.092 1.00 2.15 N ATOM 1262 CA ILE A 84 -0.257 1.937 7.676 1.00 14.31 C ATOM 1263 C ILE A 84 -1.446 2.587 8.376 1.00 45.31 C ATOM 1264 O ILE A 84 -2.079 1.982 9.240 1.00 0.41 O ATOM 1265 CB ILE A 84 -0.446 2.051 6.153 1.00 42.21 C ATOM 1266 CG1 ILE A 84 -1.726 1.332 5.721 1.00 43.41 C ATOM 1267 CG2 ILE A 84 0.761 1.478 5.425 1.00 2.23 C ATOM 1268 CD1 ILE A 84 -2.051 1.505 4.253 1.00 2.34 C ATOM 0 H ILE A 84 -0.784 -0.093 7.692 1.00 2.15 H new ATOM 0 HA ILE A 84 0.658 2.458 7.959 1.00 14.31 H new ATOM 0 HB ILE A 84 -0.537 3.105 5.891 1.00 42.21 H new ATOM 0 HG12 ILE A 84 -1.627 0.269 5.940 1.00 43.41 H new ATOM 0 HG13 ILE A 84 -2.560 1.704 6.316 1.00 43.41 H new ATOM 0 HG21 ILE A 84 0.612 1.566 4.349 1.00 2.23 H new ATOM 0 HG22 ILE A 84 1.656 2.029 5.714 1.00 2.23 H new ATOM 0 HG23 ILE A 84 0.881 0.428 5.690 1.00 2.23 H new ATOM 0 HD11 ILE A 84 -2.970 0.969 4.018 1.00 2.34 H new ATOM 0 HD12 ILE A 84 -2.182 2.564 4.032 1.00 2.34 H new ATOM 0 HD13 ILE A 84 -1.235 1.107 3.650 1.00 2.34 H new ATOM 1280 N GLY A 85 -1.746 3.825 7.993 1.00 53.45 N ATOM 1281 CA GLY A 85 -2.860 4.537 8.591 1.00 74.13 C ATOM 1282 C GLY A 85 -3.935 4.887 7.582 1.00 63.22 C ATOM 1283 O GLY A 85 -4.214 6.062 7.345 1.00 52.51 O ATOM 0 H GLY A 85 -1.237 4.347 7.279 1.00 53.45 H new ATOM 0 HA2 GLY A 85 -3.294 3.926 9.382 1.00 74.13 H new ATOM 0 HA3 GLY A 85 -2.494 5.451 9.058 1.00 74.13 H new ATOM 1287 N GLN A 86 -4.537 3.865 6.982 1.00 54.23 N ATOM 1288 CA GLN A 86 -5.586 4.071 5.989 1.00 35.41 C ATOM 1289 C GLN A 86 -6.669 4.999 6.528 1.00 64.03 C ATOM 1290 O GLN A 86 -6.717 5.287 7.724 1.00 71.54 O ATOM 1291 CB GLN A 86 -6.200 2.732 5.581 1.00 51.12 C ATOM 1292 CG GLN A 86 -5.746 2.246 4.214 1.00 43.44 C ATOM 1293 CD GLN A 86 -5.896 0.747 4.047 1.00 41.54 C ATOM 1294 OE1 GLN A 86 -6.744 0.121 4.686 1.00 11.01 O ATOM 1295 NE2 GLN A 86 -5.073 0.161 3.186 1.00 45.20 N ATOM 0 H GLN A 86 -4.317 2.886 7.166 1.00 54.23 H new ATOM 0 HA GLN A 86 -5.137 4.538 5.112 1.00 35.41 H new ATOM 0 HB2 GLN A 86 -5.943 1.981 6.328 1.00 51.12 H new ATOM 0 HB3 GLN A 86 -7.286 2.824 5.582 1.00 51.12 H new ATOM 0 HG2 GLN A 86 -6.325 2.753 3.442 1.00 43.44 H new ATOM 0 HG3 GLN A 86 -4.702 2.522 4.063 1.00 43.44 H new ATOM 0 HE21 GLN A 86 -4.386 0.718 2.678 1.00 45.20 H new ATOM 0 HE22 GLN A 86 -5.128 -0.846 3.032 1.00 45.20 H new