USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=13 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 31 CYS SG : rot 146:sc= 0.327 USER MOD Set 1.2: A 34 CYS SG : rot -53:sc= 0.607 USER MOD Set 1.3: A 56 CYS SG : rot 116:sc= -0.0271 USER MOD Set 1.4: A 57 MET CE :methyl 155:sc= -1.66 (180deg=-1.89!) USER MOD Set 1.5: A 67 CYS SG : rot -59:sc= 0.109 USER MOD Single : A 26 SER OG : rot 33:sc= 0.153 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.39 K(o=-2.4,f=-0.73) USER MOD Single : A 59 ASN : amide:sc= 0.0198 K(o=0.02,f=-3.8!) USER MOD Single : A 60 SER OG : rot -150:sc= -0.082 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -2.74 X(o=-2.7,f=-3.1!) USER MOD Single : A 73 MET CE :methyl -138:sc= -2.63 (180deg=-5.34!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.051) USER MOD Single : A 79 ASN : amide:sc= -0.886 K(o=-0.89,f=-0.33) USER MOD Single : A 86 GLN : amide:sc= -4.73! K(o=-4.7!,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.394 -12.440 -0.730 1.00 13.43 N ATOM 367 CA SER A 26 3.168 -11.884 -1.290 1.00 50.14 C ATOM 368 C SER A 26 3.200 -10.359 -1.261 1.00 50.12 C ATOM 369 O SER A 26 3.692 -9.755 -0.308 1.00 74.44 O ATOM 370 CB SER A 26 1.951 -12.394 -0.516 1.00 22.32 C ATOM 371 OG SER A 26 1.950 -13.809 -0.442 1.00 63.31 O ATOM 0 HA SER A 26 3.092 -12.209 -2.328 1.00 50.14 H new ATOM 0 HB2 SER A 26 1.954 -11.974 0.490 1.00 22.32 H new ATOM 0 HB3 SER A 26 1.037 -12.051 -1.002 1.00 22.32 H new ATOM 0 HG SER A 26 2.873 -14.135 -0.395 1.00 63.31 H new ATOM 377 N ALA A 27 2.672 -9.742 -2.313 1.00 41.24 N ATOM 378 CA ALA A 27 2.638 -8.288 -2.410 1.00 12.04 C ATOM 379 C ALA A 27 1.208 -7.781 -2.561 1.00 71.04 C ATOM 380 O ALA A 27 0.315 -8.527 -2.964 1.00 11.32 O ATOM 381 CB ALA A 27 3.494 -7.815 -3.575 1.00 24.11 C ATOM 0 H ALA A 27 2.262 -10.227 -3.111 1.00 41.24 H new ATOM 0 HA ALA A 27 3.045 -7.878 -1.486 1.00 12.04 H new ATOM 0 HB1 ALA A 27 3.459 -6.727 -3.634 1.00 24.11 H new ATOM 0 HB2 ALA A 27 4.524 -8.137 -3.424 1.00 24.11 H new ATOM 0 HB3 ALA A 27 3.113 -8.242 -4.503 1.00 24.11 H new ATOM 387 N TRP A 28 0.999 -6.511 -2.235 1.00 35.00 N ATOM 388 CA TRP A 28 -0.325 -5.905 -2.334 1.00 42.14 C ATOM 389 C TRP A 28 -0.445 -5.064 -3.601 1.00 72.43 C ATOM 390 O TRP A 28 0.430 -4.253 -3.904 1.00 51.34 O ATOM 391 CB TRP A 28 -0.606 -5.040 -1.104 1.00 52.14 C ATOM 392 CG TRP A 28 -1.074 -5.829 0.082 1.00 41.24 C ATOM 393 CD1 TRP A 28 -0.405 -6.016 1.257 1.00 2.20 C ATOM 394 CD2 TRP A 28 -2.313 -6.537 0.205 1.00 42.30 C ATOM 395 NE1 TRP A 28 -1.153 -6.798 2.104 1.00 44.14 N ATOM 396 CE2 TRP A 28 -2.327 -7.129 1.483 1.00 71.52 C ATOM 397 CE3 TRP A 28 -3.411 -6.726 -0.638 1.00 23.22 C ATOM 398 CZ2 TRP A 28 -3.397 -7.898 1.934 1.00 71.51 C ATOM 399 CZ3 TRP A 28 -4.471 -7.490 -0.189 1.00 53.22 C ATOM 400 CH2 TRP A 28 -4.459 -8.068 1.088 1.00 41.45 C ATOM 0 H TRP A 28 1.728 -5.881 -1.900 1.00 35.00 H new ATOM 0 HA TRP A 28 -1.062 -6.707 -2.381 1.00 42.14 H new ATOM 0 HB2 TRP A 28 0.300 -4.497 -0.836 1.00 52.14 H new ATOM 0 HB3 TRP A 28 -1.361 -4.295 -1.357 1.00 52.14 H new ATOM 0 HD1 TRP A 28 0.569 -5.609 1.487 1.00 2.20 H new ATOM 0 HE1 TRP A 28 -0.878 -7.085 3.043 1.00 44.14 H new ATOM 0 HE3 TRP A 28 -3.431 -6.283 -1.623 1.00 23.22 H new ATOM 0 HZ2 TRP A 28 -3.389 -8.345 2.917 1.00 71.51 H new ATOM 0 HZ3 TRP A 28 -5.324 -7.645 -0.833 1.00 53.22 H new ATOM 0 HH2 TRP A 28 -5.304 -8.659 1.410 1.00 41.45 H new ATOM 411 N VAL A 29 -1.533 -5.263 -4.337 1.00 55.21 N ATOM 412 CA VAL A 29 -1.768 -4.522 -5.570 1.00 53.55 C ATOM 413 C VAL A 29 -3.175 -3.932 -5.598 1.00 64.55 C ATOM 414 O VAL A 29 -4.124 -4.542 -5.106 1.00 12.12 O ATOM 415 CB VAL A 29 -1.574 -5.417 -6.809 1.00 13.32 C ATOM 416 CG1 VAL A 29 -2.554 -6.580 -6.786 1.00 23.12 C ATOM 417 CG2 VAL A 29 -1.730 -4.602 -8.084 1.00 2.51 C ATOM 0 H VAL A 29 -2.266 -5.932 -4.101 1.00 55.21 H new ATOM 0 HA VAL A 29 -1.037 -3.714 -5.597 1.00 53.55 H new ATOM 0 HB VAL A 29 -0.563 -5.825 -6.787 1.00 13.32 H new ATOM 0 HG11 VAL A 29 -2.402 -7.201 -7.669 1.00 23.12 H new ATOM 0 HG12 VAL A 29 -2.389 -7.177 -5.889 1.00 23.12 H new ATOM 0 HG13 VAL A 29 -3.574 -6.196 -6.784 1.00 23.12 H new ATOM 0 HG21 VAL A 29 -1.590 -5.250 -8.949 1.00 2.51 H new ATOM 0 HG22 VAL A 29 -2.728 -4.164 -8.116 1.00 2.51 H new ATOM 0 HG23 VAL A 29 -0.984 -3.807 -8.101 1.00 2.51 H new ATOM 427 N ARG A 30 -3.300 -2.742 -6.177 1.00 60.45 N ATOM 428 CA ARG A 30 -4.590 -2.070 -6.270 1.00 34.43 C ATOM 429 C ARG A 30 -5.101 -2.068 -7.707 1.00 70.44 C ATOM 430 O ARG A 30 -4.328 -1.909 -8.653 1.00 14.35 O ATOM 431 CB ARG A 30 -4.478 -0.633 -5.755 1.00 64.23 C ATOM 432 CG ARG A 30 -5.815 0.081 -5.648 1.00 32.20 C ATOM 433 CD ARG A 30 -5.737 1.495 -6.203 1.00 71.33 C ATOM 434 NE ARG A 30 -5.551 1.503 -7.652 1.00 54.31 N ATOM 435 CZ ARG A 30 -5.249 2.595 -8.347 1.00 23.41 C ATOM 436 NH1 ARG A 30 -5.098 3.758 -7.729 1.00 23.34 N ATOM 437 NH2 ARG A 30 -5.095 2.522 -9.663 1.00 40.23 N ATOM 0 H ARG A 30 -2.524 -2.224 -6.588 1.00 60.45 H new ATOM 0 HA ARG A 30 -5.301 -2.617 -5.651 1.00 34.43 H new ATOM 0 HB2 ARG A 30 -4.002 -0.643 -4.775 1.00 64.23 H new ATOM 0 HB3 ARG A 30 -3.826 -0.067 -6.420 1.00 64.23 H new ATOM 0 HG2 ARG A 30 -6.574 -0.483 -6.190 1.00 32.20 H new ATOM 0 HG3 ARG A 30 -6.128 0.115 -4.604 1.00 32.20 H new ATOM 0 HD2 ARG A 30 -6.650 2.034 -5.951 1.00 71.33 H new ATOM 0 HD3 ARG A 30 -4.912 2.026 -5.728 1.00 71.33 H new ATOM 0 HE ARG A 30 -5.659 0.624 -8.157 1.00 54.31 H new ATOM 0 HH11 ARG A 30 -5.214 3.817 -6.717 1.00 23.34 H new ATOM 0 HH12 ARG A 30 -4.866 4.594 -8.265 1.00 23.34 H new ATOM 0 HH21 ARG A 30 -5.208 1.628 -10.141 1.00 40.23 H new ATOM 0 HH22 ARG A 30 -4.863 3.360 -10.197 1.00 40.23 H new ATOM 451 N CYS A 31 -6.408 -2.248 -7.865 1.00 60.45 N ATOM 452 CA CYS A 31 -7.024 -2.269 -9.186 1.00 22.11 C ATOM 453 C CYS A 31 -7.163 -0.855 -9.744 1.00 21.23 C ATOM 454 O CYS A 31 -7.470 0.085 -9.011 1.00 15.12 O ATOM 455 CB CYS A 31 -8.398 -2.941 -9.122 1.00 2.45 C ATOM 456 SG CYS A 31 -9.228 -3.093 -10.736 1.00 3.43 S ATOM 0 H CYS A 31 -7.062 -2.382 -7.093 1.00 60.45 H new ATOM 0 HA CYS A 31 -6.378 -2.842 -9.851 1.00 22.11 H new ATOM 0 HB2 CYS A 31 -8.285 -3.935 -8.689 1.00 2.45 H new ATOM 0 HB3 CYS A 31 -9.038 -2.371 -8.449 1.00 2.45 H new ATOM 0 HG CYS A 31 -9.921 -4.193 -10.766 1.00 3.43 H new ATOM 461 N ASP A 32 -6.933 -0.713 -11.044 1.00 41.14 N ATOM 462 CA ASP A 32 -7.033 0.585 -11.702 1.00 13.11 C ATOM 463 C ASP A 32 -8.375 0.732 -12.413 1.00 65.22 C ATOM 464 O ASP A 32 -8.465 1.364 -13.465 1.00 23.11 O ATOM 465 CB ASP A 32 -5.889 0.764 -12.702 1.00 32.03 C ATOM 466 CG ASP A 32 -5.525 2.221 -12.909 1.00 53.22 C ATOM 467 OD1 ASP A 32 -6.348 3.094 -12.561 1.00 0.33 O ATOM 468 OD2 ASP A 32 -4.417 2.488 -13.418 1.00 60.22 O ATOM 0 H ASP A 32 -6.676 -1.481 -11.664 1.00 41.14 H new ATOM 0 HA ASP A 32 -6.961 1.359 -10.938 1.00 13.11 H new ATOM 0 HB2 ASP A 32 -5.013 0.220 -12.349 1.00 32.03 H new ATOM 0 HB3 ASP A 32 -6.173 0.324 -13.658 1.00 32.03 H new ATOM 473 N ASP A 33 -9.414 0.142 -11.832 1.00 51.02 N ATOM 474 CA ASP A 33 -10.751 0.208 -12.410 1.00 63.14 C ATOM 475 C ASP A 33 -11.807 0.374 -11.321 1.00 44.35 C ATOM 476 O ASP A 33 -12.746 1.157 -11.467 1.00 74.22 O ATOM 477 CB ASP A 33 -11.039 -1.053 -13.227 1.00 31.43 C ATOM 478 CG ASP A 33 -12.402 -1.016 -13.890 1.00 4.42 C ATOM 479 OD1 ASP A 33 -13.416 -1.117 -13.169 1.00 72.32 O ATOM 480 OD2 ASP A 33 -12.453 -0.882 -15.131 1.00 53.03 O ATOM 0 H ASP A 33 -9.356 -0.387 -10.962 1.00 51.02 H new ATOM 0 HA ASP A 33 -10.793 1.076 -13.068 1.00 63.14 H new ATOM 0 HB2 ASP A 33 -10.270 -1.171 -13.991 1.00 31.43 H new ATOM 0 HB3 ASP A 33 -10.978 -1.925 -12.576 1.00 31.43 H new ATOM 485 N CYS A 34 -11.646 -0.366 -10.230 1.00 72.41 N ATOM 486 CA CYS A 34 -12.585 -0.303 -9.116 1.00 2.51 C ATOM 487 C CYS A 34 -11.893 0.193 -7.850 1.00 21.35 C ATOM 488 O CYS A 34 -12.547 0.510 -6.856 1.00 4.02 O ATOM 489 CB CYS A 34 -13.207 -1.678 -8.867 1.00 23.25 C ATOM 490 SG CYS A 34 -12.007 -2.958 -8.376 1.00 60.33 S ATOM 0 H CYS A 34 -10.873 -1.017 -10.093 1.00 72.41 H new ATOM 0 HA CYS A 34 -13.374 0.402 -9.377 1.00 2.51 H new ATOM 0 HB2 CYS A 34 -13.964 -1.587 -8.088 1.00 23.25 H new ATOM 0 HB3 CYS A 34 -13.719 -2.003 -9.773 1.00 23.25 H new ATOM 0 HG CYS A 34 -11.040 -3.002 -9.244 1.00 60.33 H new ATOM 495 N PHE A 35 -10.567 0.258 -7.893 1.00 64.33 N ATOM 496 CA PHE A 35 -9.785 0.714 -6.750 1.00 53.32 C ATOM 497 C PHE A 35 -10.001 -0.197 -5.545 1.00 60.32 C ATOM 498 O PHE A 35 -10.605 0.201 -4.551 1.00 12.25 O ATOM 499 CB PHE A 35 -10.162 2.152 -6.389 1.00 33.24 C ATOM 500 CG PHE A 35 -10.030 3.113 -7.536 1.00 71.04 C ATOM 501 CD1 PHE A 35 -8.785 3.568 -7.936 1.00 71.24 C ATOM 502 CD2 PHE A 35 -11.153 3.559 -8.215 1.00 64.53 C ATOM 503 CE1 PHE A 35 -8.661 4.452 -8.992 1.00 12.24 C ATOM 504 CE2 PHE A 35 -11.036 4.443 -9.272 1.00 32.25 C ATOM 505 CZ PHE A 35 -9.788 4.889 -9.661 1.00 54.51 C ATOM 0 H PHE A 35 -10.011 0.000 -8.708 1.00 64.33 H new ATOM 0 HA PHE A 35 -8.731 0.680 -7.026 1.00 53.32 H new ATOM 0 HB2 PHE A 35 -11.190 2.170 -6.027 1.00 33.24 H new ATOM 0 HB3 PHE A 35 -9.529 2.490 -5.568 1.00 33.24 H new ATOM 0 HD1 PHE A 35 -7.901 3.229 -7.417 1.00 71.24 H new ATOM 0 HD2 PHE A 35 -12.131 3.212 -7.915 1.00 64.53 H new ATOM 0 HE1 PHE A 35 -7.684 4.800 -9.293 1.00 12.24 H new ATOM 0 HE2 PHE A 35 -11.919 4.784 -9.792 1.00 32.25 H new ATOM 0 HZ PHE A 35 -9.693 5.578 -10.487 1.00 54.51 H new ATOM 515 N LYS A 36 -9.502 -1.425 -5.644 1.00 3.13 N ATOM 516 CA LYS A 36 -9.637 -2.395 -4.564 1.00 75.45 C ATOM 517 C LYS A 36 -8.322 -3.129 -4.323 1.00 72.34 C ATOM 518 O LYS A 36 -7.588 -3.430 -5.264 1.00 24.35 O ATOM 519 CB LYS A 36 -10.743 -3.402 -4.891 1.00 10.44 C ATOM 520 CG LYS A 36 -11.589 -3.789 -3.689 1.00 45.41 C ATOM 521 CD LYS A 36 -12.685 -2.769 -3.428 1.00 33.11 C ATOM 522 CE LYS A 36 -13.658 -3.257 -2.366 1.00 14.10 C ATOM 523 NZ LYS A 36 -14.992 -2.607 -2.494 1.00 5.12 N ATOM 0 H LYS A 36 -9.000 -1.772 -6.462 1.00 3.13 H new ATOM 0 HA LYS A 36 -9.902 -1.855 -3.655 1.00 75.45 H new ATOM 0 HB2 LYS A 36 -11.391 -2.981 -5.660 1.00 10.44 H new ATOM 0 HB3 LYS A 36 -10.292 -4.301 -5.312 1.00 10.44 H new ATOM 0 HG2 LYS A 36 -12.035 -4.769 -3.857 1.00 45.41 H new ATOM 0 HG3 LYS A 36 -10.953 -3.875 -2.808 1.00 45.41 H new ATOM 0 HD2 LYS A 36 -12.239 -1.827 -3.109 1.00 33.11 H new ATOM 0 HD3 LYS A 36 -13.225 -2.569 -4.353 1.00 33.11 H new ATOM 0 HE2 LYS A 36 -13.772 -4.338 -2.447 1.00 14.10 H new ATOM 0 HE3 LYS A 36 -13.248 -3.053 -1.377 1.00 14.10 H new ATOM 0 HZ1 LYS A 36 -15.626 -2.967 -1.752 1.00 5.12 H new ATOM 0 HZ2 LYS A 36 -14.888 -1.577 -2.391 1.00 5.12 H new ATOM 0 HZ3 LYS A 36 -15.395 -2.823 -3.428 1.00 5.12 H new ATOM 537 N TRP A 37 -8.033 -3.417 -3.060 1.00 35.44 N ATOM 538 CA TRP A 37 -6.807 -4.117 -2.696 1.00 61.23 C ATOM 539 C TRP A 37 -6.875 -5.584 -3.109 1.00 34.01 C ATOM 540 O TRP A 37 -7.931 -6.212 -3.029 1.00 41.21 O ATOM 541 CB TRP A 37 -6.561 -4.010 -1.190 1.00 41.21 C ATOM 542 CG TRP A 37 -5.717 -2.831 -0.809 1.00 63.31 C ATOM 543 CD1 TRP A 37 -5.999 -1.896 0.146 1.00 52.25 C ATOM 544 CD2 TRP A 37 -4.455 -2.461 -1.377 1.00 14.31 C ATOM 545 NE1 TRP A 37 -4.988 -0.966 0.206 1.00 72.12 N ATOM 546 CE2 TRP A 37 -4.030 -1.291 -0.717 1.00 1.33 C ATOM 547 CE3 TRP A 37 -3.643 -3.004 -2.376 1.00 14.12 C ATOM 548 CZ2 TRP A 37 -2.829 -0.657 -1.027 1.00 73.45 C ATOM 549 CZ3 TRP A 37 -2.453 -2.373 -2.682 1.00 62.55 C ATOM 550 CH2 TRP A 37 -2.055 -1.211 -2.010 1.00 22.24 C ATOM 0 H TRP A 37 -8.631 -3.176 -2.270 1.00 35.44 H new ATOM 0 HA TRP A 37 -5.979 -3.647 -3.226 1.00 61.23 H new ATOM 0 HB2 TRP A 37 -7.520 -3.943 -0.676 1.00 41.21 H new ATOM 0 HB3 TRP A 37 -6.076 -4.922 -0.842 1.00 41.21 H new ATOM 0 HD1 TRP A 37 -6.885 -1.888 0.763 1.00 52.25 H new ATOM 0 HE1 TRP A 37 -4.957 -0.164 0.836 1.00 72.12 H new ATOM 0 HE3 TRP A 37 -3.940 -3.901 -2.899 1.00 14.12 H new ATOM 0 HZ2 TRP A 37 -2.520 0.239 -0.510 1.00 73.45 H new ATOM 0 HZ3 TRP A 37 -1.818 -2.783 -3.453 1.00 62.55 H new ATOM 0 HH2 TRP A 37 -1.118 -0.742 -2.273 1.00 22.24 H new ATOM 561 N ARG A 38 -5.743 -6.124 -3.549 1.00 42.24 N ATOM 562 CA ARG A 38 -5.676 -7.516 -3.976 1.00 34.41 C ATOM 563 C ARG A 38 -4.324 -8.128 -3.622 1.00 63.13 C ATOM 564 O ARG A 38 -3.276 -7.608 -4.007 1.00 42.03 O ATOM 565 CB ARG A 38 -5.918 -7.623 -5.482 1.00 62.24 C ATOM 566 CG ARG A 38 -6.825 -8.778 -5.873 1.00 11.12 C ATOM 567 CD ARG A 38 -8.281 -8.344 -5.944 1.00 42.20 C ATOM 568 NE ARG A 38 -9.187 -9.484 -6.053 1.00 41.31 N ATOM 569 CZ ARG A 38 -10.510 -9.370 -6.108 1.00 42.42 C ATOM 570 NH1 ARG A 38 -11.077 -8.171 -6.064 1.00 63.35 N ATOM 571 NH2 ARG A 38 -11.267 -10.454 -6.207 1.00 72.11 N ATOM 0 H ARG A 38 -4.860 -5.618 -3.619 1.00 42.24 H new ATOM 0 HA ARG A 38 -6.455 -8.069 -3.451 1.00 34.41 H new ATOM 0 HB2 ARG A 38 -6.357 -6.691 -5.838 1.00 62.24 H new ATOM 0 HB3 ARG A 38 -4.959 -7.738 -5.988 1.00 62.24 H new ATOM 0 HG2 ARG A 38 -6.515 -9.174 -6.840 1.00 11.12 H new ATOM 0 HG3 ARG A 38 -6.720 -9.586 -5.149 1.00 11.12 H new ATOM 0 HD2 ARG A 38 -8.531 -7.766 -5.054 1.00 42.20 H new ATOM 0 HD3 ARG A 38 -8.422 -7.686 -6.801 1.00 42.20 H new ATOM 0 HE ARG A 38 -8.782 -10.420 -6.089 1.00 41.31 H new ATOM 0 HH11 ARG A 38 -10.497 -7.335 -5.988 1.00 63.35 H new ATOM 0 HH12 ARG A 38 -12.093 -8.085 -6.106 1.00 63.35 H new ATOM 0 HH21 ARG A 38 -10.834 -11.377 -6.241 1.00 72.11 H new ATOM 0 HH22 ARG A 38 -12.282 -10.365 -6.249 1.00 72.11 H new ATOM 585 N ARG A 39 -4.354 -9.234 -2.886 1.00 54.34 N ATOM 586 CA ARG A 39 -3.132 -9.916 -2.480 1.00 22.42 C ATOM 587 C ARG A 39 -2.664 -10.885 -3.562 1.00 32.41 C ATOM 588 O ARG A 39 -3.387 -11.809 -3.936 1.00 13.40 O ATOM 589 CB ARG A 39 -3.355 -10.669 -1.167 1.00 65.21 C ATOM 590 CG ARG A 39 -2.082 -10.887 -0.366 1.00 64.03 C ATOM 591 CD ARG A 39 -2.075 -12.250 0.309 1.00 3.25 C ATOM 592 NE ARG A 39 -1.277 -12.250 1.532 1.00 23.25 N ATOM 593 CZ ARG A 39 -1.315 -13.224 2.435 1.00 4.22 C ATOM 594 NH1 ARG A 39 -2.108 -14.270 2.253 1.00 61.02 N ATOM 595 NH2 ARG A 39 -0.559 -13.152 3.523 1.00 25.20 N ATOM 0 H ARG A 39 -5.212 -9.677 -2.559 1.00 54.34 H new ATOM 0 HA ARG A 39 -2.358 -9.163 -2.332 1.00 22.42 H new ATOM 0 HB2 ARG A 39 -4.068 -10.115 -0.557 1.00 65.21 H new ATOM 0 HB3 ARG A 39 -3.807 -11.637 -1.385 1.00 65.21 H new ATOM 0 HG2 ARG A 39 -1.217 -10.801 -1.024 1.00 64.03 H new ATOM 0 HG3 ARG A 39 -1.987 -10.106 0.388 1.00 64.03 H new ATOM 0 HD2 ARG A 39 -3.098 -12.544 0.544 1.00 3.25 H new ATOM 0 HD3 ARG A 39 -1.680 -12.995 -0.382 1.00 3.25 H new ATOM 0 HE ARG A 39 -0.656 -11.459 1.702 1.00 23.25 H new ATOM 0 HH11 ARG A 39 -2.691 -14.329 1.418 1.00 61.02 H new ATOM 0 HH12 ARG A 39 -2.135 -15.016 2.948 1.00 61.02 H new ATOM 0 HH21 ARG A 39 0.052 -12.348 3.667 1.00 25.20 H new ATOM 0 HH22 ARG A 39 -0.589 -13.900 4.215 1.00 25.20 H new ATOM 609 N ILE A 40 -1.451 -10.668 -4.059 1.00 43.21 N ATOM 610 CA ILE A 40 -0.887 -11.522 -5.096 1.00 40.42 C ATOM 611 C ILE A 40 0.489 -12.040 -4.694 1.00 64.45 C ATOM 612 O ILE A 40 1.213 -11.415 -3.919 1.00 42.23 O ATOM 613 CB ILE A 40 -0.770 -10.775 -6.439 1.00 23.23 C ATOM 614 CG1 ILE A 40 0.385 -9.773 -6.389 1.00 44.42 C ATOM 615 CG2 ILE A 40 -2.077 -10.070 -6.768 1.00 10.14 C ATOM 616 CD1 ILE A 40 0.483 -8.904 -7.624 1.00 3.25 C ATOM 0 H ILE A 40 -0.840 -9.908 -3.760 1.00 43.21 H new ATOM 0 HA ILE A 40 -1.569 -12.364 -5.216 1.00 40.42 H new ATOM 0 HB ILE A 40 -0.564 -11.500 -7.226 1.00 23.23 H new ATOM 0 HG12 ILE A 40 0.264 -9.135 -5.514 1.00 44.42 H new ATOM 0 HG13 ILE A 40 1.321 -10.316 -6.261 1.00 44.42 H new ATOM 0 HG21 ILE A 40 -1.979 -9.547 -7.719 1.00 10.14 H new ATOM 0 HG22 ILE A 40 -2.879 -10.805 -6.839 1.00 10.14 H new ATOM 0 HG23 ILE A 40 -2.311 -9.352 -5.982 1.00 10.14 H new ATOM 0 HD11 ILE A 40 1.323 -8.218 -7.520 1.00 3.25 H new ATOM 0 HD12 ILE A 40 0.635 -9.534 -8.501 1.00 3.25 H new ATOM 0 HD13 ILE A 40 -0.439 -8.334 -7.742 1.00 3.25 H new ATOM 628 N PRO A 41 0.861 -13.211 -5.233 1.00 44.34 N ATOM 629 CA PRO A 41 2.155 -13.839 -4.947 1.00 34.23 C ATOM 630 C PRO A 41 3.321 -13.073 -5.562 1.00 11.53 C ATOM 631 O PRO A 41 3.150 -12.344 -6.539 1.00 51.55 O ATOM 632 CB PRO A 41 2.027 -15.223 -5.587 1.00 61.11 C ATOM 633 CG PRO A 41 1.015 -15.049 -6.667 1.00 30.15 C ATOM 634 CD PRO A 41 0.049 -14.012 -6.165 1.00 3.45 C ATOM 0 HA PRO A 41 2.367 -13.867 -3.878 1.00 34.23 H new ATOM 0 HB2 PRO A 41 2.981 -15.563 -5.990 1.00 61.11 H new ATOM 0 HB3 PRO A 41 1.705 -15.968 -4.859 1.00 61.11 H new ATOM 0 HG2 PRO A 41 1.486 -14.726 -7.595 1.00 30.15 H new ATOM 0 HG3 PRO A 41 0.504 -15.988 -6.878 1.00 30.15 H new ATOM 0 HD2 PRO A 41 -0.346 -13.404 -6.979 1.00 3.45 H new ATOM 0 HD3 PRO A 41 -0.805 -14.468 -5.664 1.00 3.45 H new ATOM 642 N ALA A 42 4.505 -13.242 -4.985 1.00 42.01 N ATOM 643 CA ALA A 42 5.700 -12.568 -5.479 1.00 33.04 C ATOM 644 C ALA A 42 6.091 -13.087 -6.859 1.00 1.12 C ATOM 645 O ALA A 42 6.924 -12.491 -7.542 1.00 45.33 O ATOM 646 CB ALA A 42 6.850 -12.748 -4.500 1.00 13.51 C ATOM 0 H ALA A 42 4.663 -13.840 -4.174 1.00 42.01 H new ATOM 0 HA ALA A 42 5.477 -11.505 -5.569 1.00 33.04 H new ATOM 0 HB1 ALA A 42 7.736 -12.240 -4.882 1.00 13.51 H new ATOM 0 HB2 ALA A 42 6.576 -12.323 -3.534 1.00 13.51 H new ATOM 0 HB3 ALA A 42 7.064 -13.810 -4.382 1.00 13.51 H new ATOM 652 N SER A 43 5.486 -14.199 -7.262 1.00 23.30 N ATOM 653 CA SER A 43 5.775 -14.800 -8.559 1.00 1.23 C ATOM 654 C SER A 43 5.088 -14.027 -9.681 1.00 34.53 C ATOM 655 O SER A 43 5.642 -13.864 -10.767 1.00 62.13 O ATOM 656 CB SER A 43 5.323 -16.261 -8.579 1.00 64.43 C ATOM 657 OG SER A 43 6.383 -17.117 -8.971 1.00 32.42 O ATOM 0 H SER A 43 4.792 -14.703 -6.709 1.00 23.30 H new ATOM 0 HA SER A 43 6.852 -14.758 -8.720 1.00 1.23 H new ATOM 0 HB2 SER A 43 4.966 -16.548 -7.590 1.00 64.43 H new ATOM 0 HB3 SER A 43 4.485 -16.376 -9.266 1.00 64.43 H new ATOM 0 HG SER A 43 6.069 -18.045 -8.974 1.00 32.42 H new ATOM 663 N VAL A 44 3.877 -13.553 -9.408 1.00 55.04 N ATOM 664 CA VAL A 44 3.113 -12.797 -10.393 1.00 60.22 C ATOM 665 C VAL A 44 3.360 -11.299 -10.248 1.00 65.11 C ATOM 666 O VAL A 44 3.297 -10.552 -11.224 1.00 43.23 O ATOM 667 CB VAL A 44 1.602 -13.071 -10.263 1.00 62.30 C ATOM 668 CG1 VAL A 44 1.051 -12.433 -8.998 1.00 55.05 C ATOM 669 CG2 VAL A 44 0.862 -12.565 -11.492 1.00 62.30 C ATOM 0 H VAL A 44 3.404 -13.679 -8.513 1.00 55.04 H new ATOM 0 HA VAL A 44 3.451 -13.126 -11.376 1.00 60.22 H new ATOM 0 HB VAL A 44 1.450 -14.148 -10.193 1.00 62.30 H new ATOM 0 HG11 VAL A 44 -0.017 -12.637 -8.923 1.00 55.05 H new ATOM 0 HG12 VAL A 44 1.562 -12.848 -8.129 1.00 55.05 H new ATOM 0 HG13 VAL A 44 1.213 -11.356 -9.034 1.00 55.05 H new ATOM 0 HG21 VAL A 44 -0.204 -12.767 -11.384 1.00 62.30 H new ATOM 0 HG22 VAL A 44 1.020 -11.491 -11.595 1.00 62.30 H new ATOM 0 HG23 VAL A 44 1.239 -13.074 -12.379 1.00 62.30 H new ATOM 679 N VAL A 45 3.642 -10.868 -9.023 1.00 53.33 N ATOM 680 CA VAL A 45 3.901 -9.459 -8.749 1.00 51.44 C ATOM 681 C VAL A 45 5.025 -8.926 -9.630 1.00 5.03 C ATOM 682 O VAL A 45 5.096 -7.730 -9.910 1.00 70.10 O ATOM 683 CB VAL A 45 4.269 -9.232 -7.271 1.00 71.14 C ATOM 684 CG1 VAL A 45 5.758 -9.456 -7.051 1.00 51.15 C ATOM 685 CG2 VAL A 45 3.860 -7.835 -6.829 1.00 62.13 C ATOM 0 H VAL A 45 3.697 -11.474 -8.204 1.00 53.33 H new ATOM 0 HA VAL A 45 2.981 -8.919 -8.972 1.00 51.44 H new ATOM 0 HB VAL A 45 3.724 -9.954 -6.663 1.00 71.14 H new ATOM 0 HG11 VAL A 45 6.000 -9.291 -6.001 1.00 51.15 H new ATOM 0 HG12 VAL A 45 6.017 -10.478 -7.327 1.00 51.15 H new ATOM 0 HG13 VAL A 45 6.326 -8.759 -7.668 1.00 51.15 H new ATOM 0 HG21 VAL A 45 4.127 -7.692 -5.782 1.00 62.13 H new ATOM 0 HG22 VAL A 45 4.376 -7.094 -7.440 1.00 62.13 H new ATOM 0 HG23 VAL A 45 2.783 -7.717 -6.948 1.00 62.13 H new ATOM 695 N GLY A 46 5.906 -9.824 -10.064 1.00 10.43 N ATOM 696 CA GLY A 46 7.017 -9.424 -10.909 1.00 72.31 C ATOM 697 C GLY A 46 6.769 -9.728 -12.373 1.00 20.32 C ATOM 698 O GLY A 46 7.710 -9.836 -13.159 1.00 23.34 O ATOM 0 H GLY A 46 5.870 -10.820 -9.846 1.00 10.43 H new ATOM 0 HA2 GLY A 46 7.196 -8.356 -10.788 1.00 72.31 H new ATOM 0 HA3 GLY A 46 7.921 -9.937 -10.582 1.00 72.31 H new ATOM 702 N SER A 47 5.500 -9.868 -12.741 1.00 15.52 N ATOM 703 CA SER A 47 5.132 -10.166 -14.120 1.00 71.44 C ATOM 704 C SER A 47 3.972 -9.288 -14.575 1.00 15.21 C ATOM 705 O SER A 47 3.953 -8.801 -15.706 1.00 20.22 O ATOM 706 CB SER A 47 4.755 -11.643 -14.261 1.00 55.34 C ATOM 707 OG SER A 47 5.605 -12.299 -15.185 1.00 74.42 O ATOM 0 H SER A 47 4.709 -9.780 -12.103 1.00 15.52 H new ATOM 0 HA SER A 47 5.994 -9.956 -14.754 1.00 71.44 H new ATOM 0 HB2 SER A 47 4.821 -12.133 -13.290 1.00 55.34 H new ATOM 0 HB3 SER A 47 3.720 -11.728 -14.591 1.00 55.34 H new ATOM 0 HG SER A 47 5.345 -13.241 -15.256 1.00 74.42 H new ATOM 713 N ILE A 48 3.004 -9.088 -13.686 1.00 62.10 N ATOM 714 CA ILE A 48 1.840 -8.268 -13.995 1.00 11.33 C ATOM 715 C ILE A 48 2.221 -6.796 -14.115 1.00 72.12 C ATOM 716 O ILE A 48 1.622 -6.051 -14.891 1.00 3.23 O ATOM 717 CB ILE A 48 0.745 -8.417 -12.921 1.00 41.35 C ATOM 718 CG1 ILE A 48 1.315 -8.110 -11.535 1.00 51.11 C ATOM 719 CG2 ILE A 48 0.154 -9.817 -12.960 1.00 73.20 C ATOM 720 CD1 ILE A 48 0.724 -6.871 -10.899 1.00 61.33 C ATOM 0 H ILE A 48 3.004 -9.483 -12.746 1.00 62.10 H new ATOM 0 HA ILE A 48 1.451 -8.620 -14.951 1.00 11.33 H new ATOM 0 HB ILE A 48 -0.051 -7.702 -13.131 1.00 41.35 H new ATOM 0 HG12 ILE A 48 1.138 -8.964 -10.881 1.00 51.11 H new ATOM 0 HG13 ILE A 48 2.395 -7.988 -11.614 1.00 51.11 H new ATOM 0 HG21 ILE A 48 -0.618 -9.907 -12.196 1.00 73.20 H new ATOM 0 HG22 ILE A 48 -0.284 -10.000 -13.941 1.00 73.20 H new ATOM 0 HG23 ILE A 48 0.939 -10.549 -12.771 1.00 73.20 H new ATOM 0 HD11 ILE A 48 1.175 -6.715 -9.919 1.00 61.33 H new ATOM 0 HD12 ILE A 48 0.924 -6.006 -11.532 1.00 61.33 H new ATOM 0 HD13 ILE A 48 -0.353 -6.998 -10.787 1.00 61.33 H new ATOM 805 N TRP A 54 -2.526 -2.383 -12.851 1.00 72.40 N ATOM 806 CA TRP A 54 -3.016 -3.740 -12.632 1.00 44.35 C ATOM 807 C TRP A 54 -4.520 -3.741 -12.383 1.00 63.22 C ATOM 808 O TRP A 54 -5.066 -2.794 -11.816 1.00 61.02 O ATOM 809 CB TRP A 54 -2.290 -4.382 -11.449 1.00 44.33 C ATOM 810 CG TRP A 54 -2.875 -5.698 -11.037 1.00 61.14 C ATOM 811 CD1 TRP A 54 -2.436 -6.940 -11.400 1.00 52.13 C ATOM 812 CD2 TRP A 54 -4.007 -5.905 -10.186 1.00 1.43 C ATOM 813 NE1 TRP A 54 -3.228 -7.905 -10.825 1.00 24.30 N ATOM 814 CE2 TRP A 54 -4.198 -7.295 -10.075 1.00 63.12 C ATOM 815 CE3 TRP A 54 -4.877 -5.049 -9.505 1.00 12.24 C ATOM 816 CZ2 TRP A 54 -5.223 -7.847 -9.312 1.00 75.41 C ATOM 817 CZ3 TRP A 54 -5.894 -5.598 -8.748 1.00 52.01 C ATOM 818 CH2 TRP A 54 -6.060 -6.987 -8.656 1.00 13.31 C ATOM 0 HA TRP A 54 -2.815 -4.322 -13.531 1.00 44.35 H new ATOM 0 HB2 TRP A 54 -1.241 -4.524 -11.709 1.00 44.33 H new ATOM 0 HB3 TRP A 54 -2.318 -3.698 -10.600 1.00 44.33 H new ATOM 0 HD1 TRP A 54 -1.591 -7.135 -12.044 1.00 52.13 H new ATOM 0 HE1 TRP A 54 -3.112 -8.912 -10.938 1.00 24.30 H new ATOM 0 HE3 TRP A 54 -4.756 -3.978 -9.569 1.00 12.24 H new ATOM 0 HZ2 TRP A 54 -5.353 -8.917 -9.241 1.00 75.41 H new ATOM 0 HZ3 TRP A 54 -6.573 -4.946 -8.218 1.00 52.01 H new ATOM 0 HH2 TRP A 54 -6.864 -7.386 -8.056 1.00 13.31 H new ATOM 829 N ILE A 55 -5.184 -4.810 -12.810 1.00 53.25 N ATOM 830 CA ILE A 55 -6.626 -4.934 -12.632 1.00 31.15 C ATOM 831 C ILE A 55 -6.998 -6.320 -12.114 1.00 52.53 C ATOM 832 O ILE A 55 -6.197 -7.253 -12.174 1.00 21.32 O ATOM 833 CB ILE A 55 -7.381 -4.669 -13.947 1.00 71.40 C ATOM 834 CG1 ILE A 55 -6.669 -5.353 -15.116 1.00 72.31 C ATOM 835 CG2 ILE A 55 -7.504 -3.173 -14.196 1.00 73.51 C ATOM 836 CD1 ILE A 55 -7.303 -5.069 -16.460 1.00 5.12 C ATOM 0 H ILE A 55 -4.747 -5.602 -13.281 1.00 53.25 H new ATOM 0 HA ILE A 55 -6.919 -4.183 -11.898 1.00 31.15 H new ATOM 0 HB ILE A 55 -8.384 -5.086 -13.863 1.00 71.40 H new ATOM 0 HG12 ILE A 55 -5.629 -5.027 -15.138 1.00 72.31 H new ATOM 0 HG13 ILE A 55 -6.662 -6.430 -14.947 1.00 72.31 H new ATOM 0 HG21 ILE A 55 -8.040 -3.002 -15.130 1.00 73.51 H new ATOM 0 HG22 ILE A 55 -8.051 -2.711 -13.374 1.00 73.51 H new ATOM 0 HG23 ILE A 55 -6.509 -2.732 -14.263 1.00 73.51 H new ATOM 0 HD11 ILE A 55 -6.746 -5.586 -17.242 1.00 5.12 H new ATOM 0 HD12 ILE A 55 -8.335 -5.420 -16.457 1.00 5.12 H new ATOM 0 HD13 ILE A 55 -7.285 -3.996 -16.651 1.00 5.12 H new ATOM 848 N CYS A 56 -8.220 -6.448 -11.608 1.00 51.21 N ATOM 849 CA CYS A 56 -8.701 -7.719 -11.082 1.00 20.55 C ATOM 850 C CYS A 56 -8.590 -8.820 -12.132 1.00 32.22 C ATOM 851 O CYS A 56 -8.051 -9.893 -11.867 1.00 21.13 O ATOM 852 CB CYS A 56 -10.152 -7.586 -10.617 1.00 53.33 C ATOM 853 SG CYS A 56 -10.423 -6.270 -9.387 1.00 5.50 S ATOM 0 H CYS A 56 -8.896 -5.686 -11.551 1.00 51.21 H new ATOM 0 HA CYS A 56 -8.077 -7.990 -10.230 1.00 20.55 H new ATOM 0 HB2 CYS A 56 -10.784 -7.393 -11.484 1.00 53.33 H new ATOM 0 HB3 CYS A 56 -10.475 -8.537 -10.193 1.00 53.33 H new ATOM 0 HG CYS A 56 -11.197 -5.356 -9.893 1.00 5.50 H new ATOM 858 N MET A 57 -9.106 -8.544 -13.326 1.00 64.32 N ATOM 859 CA MET A 57 -9.062 -9.511 -14.418 1.00 34.55 C ATOM 860 C MET A 57 -7.624 -9.892 -14.750 1.00 5.33 C ATOM 861 O MET A 57 -7.371 -10.935 -15.352 1.00 33.20 O ATOM 862 CB MET A 57 -9.752 -8.941 -15.659 1.00 70.31 C ATOM 863 CG MET A 57 -9.204 -7.591 -16.093 1.00 75.41 C ATOM 864 SD MET A 57 -10.505 -6.391 -16.435 1.00 71.35 S ATOM 865 CE MET A 57 -11.019 -5.964 -14.773 1.00 24.13 C ATOM 0 H MET A 57 -9.558 -7.661 -13.562 1.00 64.32 H new ATOM 0 HA MET A 57 -9.591 -10.409 -14.097 1.00 34.55 H new ATOM 0 HB2 MET A 57 -9.645 -9.649 -16.481 1.00 70.31 H new ATOM 0 HB3 MET A 57 -10.819 -8.843 -15.459 1.00 70.31 H new ATOM 0 HG2 MET A 57 -8.551 -7.200 -15.313 1.00 75.41 H new ATOM 0 HG3 MET A 57 -8.592 -7.722 -16.985 1.00 75.41 H new ATOM 0 HE1 MET A 57 -11.463 -4.969 -14.774 1.00 24.13 H new ATOM 0 HE2 MET A 57 -11.754 -6.689 -14.422 1.00 24.13 H new ATOM 0 HE3 MET A 57 -10.154 -5.974 -14.110 1.00 24.13 H new ATOM 875 N ASN A 58 -6.684 -9.039 -14.355 1.00 71.22 N ATOM 876 CA ASN A 58 -5.270 -9.286 -14.614 1.00 21.52 C ATOM 877 C ASN A 58 -4.652 -10.122 -13.496 1.00 4.41 C ATOM 878 O ASN A 58 -3.514 -10.578 -13.606 1.00 53.00 O ATOM 879 CB ASN A 58 -4.516 -7.962 -14.752 1.00 72.41 C ATOM 880 CG ASN A 58 -4.432 -7.493 -16.192 1.00 72.13 C ATOM 881 OD1 ASN A 58 -3.377 -7.061 -16.655 1.00 71.25 O ATOM 882 ND2 ASN A 58 -5.548 -7.577 -16.908 1.00 2.04 N ATOM 0 H ASN A 58 -6.876 -8.171 -13.855 1.00 71.22 H new ATOM 0 HA ASN A 58 -5.188 -9.841 -15.548 1.00 21.52 H new ATOM 0 HB2 ASN A 58 -5.013 -7.199 -14.153 1.00 72.41 H new ATOM 0 HB3 ASN A 58 -3.509 -8.077 -14.351 1.00 72.41 H new ATOM 0 HD21 ASN A 58 -5.552 -7.277 -17.883 1.00 2.04 H new ATOM 0 HD22 ASN A 58 -6.400 -7.942 -16.483 1.00 2.04 H new ATOM 889 N ASN A 59 -5.410 -10.319 -12.423 1.00 3.34 N ATOM 890 CA ASN A 59 -4.936 -11.099 -11.285 1.00 74.44 C ATOM 891 C ASN A 59 -4.459 -12.478 -11.732 1.00 52.42 C ATOM 892 O ASN A 59 -4.993 -13.054 -12.680 1.00 42.21 O ATOM 893 CB ASN A 59 -6.047 -11.246 -10.243 1.00 0.23 C ATOM 894 CG ASN A 59 -5.521 -11.715 -8.900 1.00 41.03 C ATOM 895 OD1 ASN A 59 -4.319 -11.665 -8.639 1.00 72.13 O ATOM 896 ND2 ASN A 59 -6.423 -12.176 -8.041 1.00 61.54 N ATOM 0 H ASN A 59 -6.355 -9.950 -12.317 1.00 3.34 H new ATOM 0 HA ASN A 59 -4.095 -10.569 -10.838 1.00 74.44 H new ATOM 0 HB2 ASN A 59 -6.553 -10.289 -10.118 1.00 0.23 H new ATOM 0 HB3 ASN A 59 -6.791 -11.955 -10.607 1.00 0.23 H new ATOM 0 HD21 ASN A 59 -6.129 -12.507 -7.122 1.00 61.54 H new ATOM 0 HD22 ASN A 59 -7.409 -12.199 -8.300 1.00 61.54 H new ATOM 903 N SER A 60 -3.450 -13.001 -11.043 1.00 52.30 N ATOM 904 CA SER A 60 -2.898 -14.310 -11.371 1.00 34.40 C ATOM 905 C SER A 60 -3.915 -15.413 -11.094 1.00 60.31 C ATOM 906 O SER A 60 -3.874 -16.479 -11.709 1.00 53.33 O ATOM 907 CB SER A 60 -1.622 -14.565 -10.566 1.00 21.31 C ATOM 908 OG SER A 60 -0.635 -15.198 -11.362 1.00 75.24 O ATOM 0 H SER A 60 -2.998 -12.538 -10.254 1.00 52.30 H new ATOM 0 HA SER A 60 -2.657 -14.319 -12.434 1.00 34.40 H new ATOM 0 HB2 SER A 60 -1.235 -13.621 -10.184 1.00 21.31 H new ATOM 0 HB3 SER A 60 -1.852 -15.189 -9.702 1.00 21.31 H new ATOM 0 HG SER A 60 -0.069 -15.761 -10.794 1.00 75.24 H new ATOM 914 N ASP A 61 -4.827 -15.149 -10.165 1.00 20.11 N ATOM 915 CA ASP A 61 -5.856 -16.118 -9.807 1.00 75.00 C ATOM 916 C ASP A 61 -6.908 -16.226 -10.907 1.00 42.11 C ATOM 917 O ASP A 61 -6.731 -15.696 -12.004 1.00 1.34 O ATOM 918 CB ASP A 61 -6.521 -15.724 -8.487 1.00 31.33 C ATOM 919 CG ASP A 61 -6.569 -16.871 -7.497 1.00 62.53 C ATOM 920 OD1 ASP A 61 -5.490 -17.307 -7.040 1.00 42.12 O ATOM 921 OD2 ASP A 61 -7.684 -17.333 -7.178 1.00 71.53 O ATOM 0 H ASP A 61 -4.875 -14.272 -9.646 1.00 20.11 H new ATOM 0 HA ASP A 61 -5.378 -17.090 -9.689 1.00 75.00 H new ATOM 0 HB2 ASP A 61 -5.977 -14.889 -8.045 1.00 31.33 H new ATOM 0 HB3 ASP A 61 -7.535 -15.376 -8.684 1.00 31.33 H new ATOM 926 N LYS A 62 -8.002 -16.917 -10.608 1.00 30.33 N ATOM 927 CA LYS A 62 -9.083 -17.096 -11.570 1.00 61.12 C ATOM 928 C LYS A 62 -10.432 -16.765 -10.940 1.00 70.45 C ATOM 929 O LYS A 62 -11.200 -15.968 -11.478 1.00 12.02 O ATOM 930 CB LYS A 62 -9.092 -18.533 -12.096 1.00 40.35 C ATOM 931 CG LYS A 62 -7.711 -19.062 -12.445 1.00 13.24 C ATOM 932 CD LYS A 62 -7.095 -19.819 -11.281 1.00 42.14 C ATOM 933 CE LYS A 62 -7.833 -21.121 -11.010 1.00 32.43 C ATOM 934 NZ LYS A 62 -6.900 -22.223 -10.645 1.00 42.32 N ATOM 0 H LYS A 62 -8.164 -17.363 -9.705 1.00 30.33 H new ATOM 0 HA LYS A 62 -8.913 -16.412 -12.402 1.00 61.12 H new ATOM 0 HB2 LYS A 62 -9.542 -19.183 -11.345 1.00 40.35 H new ATOM 0 HB3 LYS A 62 -9.725 -18.583 -12.982 1.00 40.35 H new ATOM 0 HG2 LYS A 62 -7.780 -19.719 -13.312 1.00 13.24 H new ATOM 0 HG3 LYS A 62 -7.062 -18.232 -12.725 1.00 13.24 H new ATOM 0 HD2 LYS A 62 -6.048 -20.031 -11.497 1.00 42.14 H new ATOM 0 HD3 LYS A 62 -7.116 -19.195 -10.388 1.00 42.14 H new ATOM 0 HE2 LYS A 62 -8.550 -20.970 -10.203 1.00 32.43 H new ATOM 0 HE3 LYS A 62 -8.403 -21.406 -11.894 1.00 32.43 H new ATOM 0 HZ1 LYS A 62 -7.442 -23.093 -10.468 1.00 42.32 H new ATOM 0 HZ2 LYS A 62 -6.231 -22.384 -11.425 1.00 42.32 H new ATOM 0 HZ3 LYS A 62 -6.374 -21.963 -9.786 1.00 42.32 H new ATOM 948 N ARG A 63 -10.714 -17.383 -9.797 1.00 24.14 N ATOM 949 CA ARG A 63 -11.970 -17.154 -9.095 1.00 14.13 C ATOM 950 C ARG A 63 -12.021 -15.742 -8.518 1.00 51.01 C ATOM 951 O ARG A 63 -13.096 -15.217 -8.228 1.00 72.34 O ATOM 952 CB ARG A 63 -12.147 -18.181 -7.974 1.00 42.02 C ATOM 953 CG ARG A 63 -13.244 -19.197 -8.247 1.00 13.41 C ATOM 954 CD ARG A 63 -12.703 -20.419 -8.973 1.00 41.54 C ATOM 955 NE ARG A 63 -13.379 -20.639 -10.250 1.00 4.13 N ATOM 956 CZ ARG A 63 -13.034 -21.592 -11.108 1.00 3.01 C ATOM 957 NH1 ARG A 63 -12.027 -22.409 -10.828 1.00 42.44 N ATOM 958 NH2 ARG A 63 -13.696 -21.731 -12.249 1.00 11.12 N ATOM 0 H ARG A 63 -10.089 -18.046 -9.338 1.00 24.14 H new ATOM 0 HA ARG A 63 -12.783 -17.265 -9.812 1.00 14.13 H new ATOM 0 HB2 ARG A 63 -11.205 -18.708 -7.823 1.00 42.02 H new ATOM 0 HB3 ARG A 63 -12.372 -17.657 -7.045 1.00 42.02 H new ATOM 0 HG2 ARG A 63 -13.700 -19.504 -7.306 1.00 13.41 H new ATOM 0 HG3 ARG A 63 -14.029 -18.735 -8.845 1.00 13.41 H new ATOM 0 HD2 ARG A 63 -11.634 -20.295 -9.145 1.00 41.54 H new ATOM 0 HD3 ARG A 63 -12.824 -21.299 -8.342 1.00 41.54 H new ATOM 0 HE ARG A 63 -14.158 -20.028 -10.495 1.00 4.13 H new ATOM 0 HH11 ARG A 63 -11.515 -22.306 -9.952 1.00 42.44 H new ATOM 0 HH12 ARG A 63 -11.764 -23.140 -11.489 1.00 42.44 H new ATOM 0 HH21 ARG A 63 -14.471 -21.105 -12.468 1.00 11.12 H new ATOM 0 HH22 ARG A 63 -13.430 -22.463 -12.907 1.00 11.12 H new ATOM 972 N PHE A 64 -10.852 -15.133 -8.353 1.00 3.21 N ATOM 973 CA PHE A 64 -10.763 -13.783 -7.810 1.00 33.54 C ATOM 974 C PHE A 64 -10.107 -12.836 -8.810 1.00 61.41 C ATOM 975 O PHE A 64 -9.576 -11.790 -8.435 1.00 62.35 O ATOM 976 CB PHE A 64 -9.971 -13.789 -6.500 1.00 2.34 C ATOM 977 CG PHE A 64 -10.803 -14.131 -5.298 1.00 23.22 C ATOM 978 CD1 PHE A 64 -11.468 -15.344 -5.221 1.00 52.32 C ATOM 979 CD2 PHE A 64 -10.920 -13.239 -4.243 1.00 70.12 C ATOM 980 CE1 PHE A 64 -12.234 -15.662 -4.116 1.00 74.25 C ATOM 981 CE2 PHE A 64 -11.685 -13.552 -3.136 1.00 31.52 C ATOM 982 CZ PHE A 64 -12.344 -14.765 -3.073 1.00 33.54 C ATOM 0 H PHE A 64 -9.953 -15.553 -8.588 1.00 3.21 H new ATOM 0 HA PHE A 64 -11.775 -13.430 -7.613 1.00 33.54 H new ATOM 0 HB2 PHE A 64 -9.154 -14.506 -6.582 1.00 2.34 H new ATOM 0 HB3 PHE A 64 -9.520 -12.807 -6.353 1.00 2.34 H new ATOM 0 HD1 PHE A 64 -11.387 -16.050 -6.035 1.00 52.32 H new ATOM 0 HD2 PHE A 64 -10.408 -12.289 -4.287 1.00 70.12 H new ATOM 0 HE1 PHE A 64 -12.746 -16.612 -4.069 1.00 74.25 H new ATOM 0 HE2 PHE A 64 -11.768 -12.849 -2.320 1.00 31.52 H new ATOM 0 HZ PHE A 64 -12.944 -15.011 -2.209 1.00 33.54 H new ATOM 992 N ALA A 65 -10.146 -13.211 -10.084 1.00 75.44 N ATOM 993 CA ALA A 65 -9.557 -12.396 -11.139 1.00 74.00 C ATOM 994 C ALA A 65 -10.637 -11.713 -11.972 1.00 22.11 C ATOM 995 O ALA A 65 -10.847 -12.057 -13.136 1.00 12.33 O ATOM 996 CB ALA A 65 -8.663 -13.248 -12.028 1.00 14.10 C ATOM 0 H ALA A 65 -10.580 -14.075 -10.411 1.00 75.44 H new ATOM 0 HA ALA A 65 -8.951 -11.621 -10.670 1.00 74.00 H new ATOM 0 HB1 ALA A 65 -8.230 -12.626 -12.811 1.00 14.10 H new ATOM 0 HB2 ALA A 65 -7.864 -13.685 -11.429 1.00 14.10 H new ATOM 0 HB3 ALA A 65 -9.253 -14.044 -12.482 1.00 14.10 H new ATOM 1002 N ASP A 66 -11.318 -10.744 -11.370 1.00 1.12 N ATOM 1003 CA ASP A 66 -12.375 -10.012 -12.056 1.00 73.14 C ATOM 1004 C ASP A 66 -12.912 -8.884 -11.181 1.00 22.34 C ATOM 1005 O ASP A 66 -13.026 -9.029 -9.963 1.00 60.25 O ATOM 1006 CB ASP A 66 -13.512 -10.960 -12.443 1.00 11.35 C ATOM 1007 CG ASP A 66 -13.451 -11.373 -13.899 1.00 64.03 C ATOM 1008 OD1 ASP A 66 -13.361 -10.479 -14.768 1.00 72.42 O ATOM 1009 OD2 ASP A 66 -13.492 -12.591 -14.172 1.00 63.13 O ATOM 0 H ASP A 66 -11.156 -10.447 -10.408 1.00 1.12 H new ATOM 0 HA ASP A 66 -11.952 -9.575 -12.961 1.00 73.14 H new ATOM 0 HB2 ASP A 66 -13.470 -11.849 -11.814 1.00 11.35 H new ATOM 0 HB3 ASP A 66 -14.468 -10.475 -12.246 1.00 11.35 H new ATOM 1014 N CYS A 67 -13.239 -7.759 -11.808 1.00 23.43 N ATOM 1015 CA CYS A 67 -13.762 -6.605 -11.087 1.00 2.12 C ATOM 1016 C CYS A 67 -15.120 -6.920 -10.468 1.00 32.13 C ATOM 1017 O CYS A 67 -15.526 -6.298 -9.487 1.00 31.14 O ATOM 1018 CB CYS A 67 -13.884 -5.403 -12.026 1.00 24.20 C ATOM 1019 SG CYS A 67 -12.460 -4.267 -11.969 1.00 3.14 S ATOM 0 H CYS A 67 -13.151 -7.622 -12.815 1.00 23.43 H new ATOM 0 HA CYS A 67 -13.064 -6.362 -10.285 1.00 2.12 H new ATOM 0 HB2 CYS A 67 -14.006 -5.764 -13.047 1.00 24.20 H new ATOM 0 HB3 CYS A 67 -14.788 -4.849 -11.774 1.00 24.20 H new ATOM 0 HG CYS A 67 -12.320 -3.807 -10.761 1.00 3.14 H new ATOM 1024 N SER A 68 -15.818 -7.891 -11.048 1.00 45.24 N ATOM 1025 CA SER A 68 -17.132 -8.287 -10.556 1.00 52.43 C ATOM 1026 C SER A 68 -17.026 -8.916 -9.171 1.00 11.21 C ATOM 1027 O SER A 68 -17.953 -8.832 -8.365 1.00 52.23 O ATOM 1028 CB SER A 68 -17.788 -9.270 -11.527 1.00 71.03 C ATOM 1029 OG SER A 68 -19.125 -8.893 -11.810 1.00 45.03 O ATOM 0 H SER A 68 -15.495 -8.418 -11.859 1.00 45.24 H new ATOM 0 HA SER A 68 -17.751 -7.393 -10.483 1.00 52.43 H new ATOM 0 HB2 SER A 68 -17.214 -9.309 -12.453 1.00 71.03 H new ATOM 0 HB3 SER A 68 -17.772 -10.273 -11.100 1.00 71.03 H new ATOM 0 HG SER A 68 -19.521 -9.536 -12.434 1.00 45.03 H new ATOM 1035 N LYS A 69 -15.889 -9.548 -8.901 1.00 34.41 N ATOM 1036 CA LYS A 69 -15.659 -10.192 -7.613 1.00 30.52 C ATOM 1037 C LYS A 69 -15.455 -9.154 -6.514 1.00 4.41 C ATOM 1038 O LYS A 69 -15.093 -8.010 -6.789 1.00 15.35 O ATOM 1039 CB LYS A 69 -14.440 -11.114 -7.690 1.00 42.43 C ATOM 1040 CG LYS A 69 -14.434 -12.011 -8.916 1.00 62.43 C ATOM 1041 CD LYS A 69 -15.653 -12.919 -8.949 1.00 63.12 C ATOM 1042 CE LYS A 69 -16.759 -12.336 -9.815 1.00 11.10 C ATOM 1043 NZ LYS A 69 -17.529 -13.397 -10.520 1.00 44.45 N ATOM 0 H LYS A 69 -15.112 -9.628 -9.557 1.00 34.41 H new ATOM 0 HA LYS A 69 -16.541 -10.785 -7.370 1.00 30.52 H new ATOM 0 HB2 LYS A 69 -13.535 -10.507 -7.690 1.00 42.43 H new ATOM 0 HB3 LYS A 69 -14.407 -11.735 -6.795 1.00 42.43 H new ATOM 0 HG2 LYS A 69 -14.412 -11.398 -9.817 1.00 62.43 H new ATOM 0 HG3 LYS A 69 -13.528 -12.617 -8.920 1.00 62.43 H new ATOM 0 HD2 LYS A 69 -15.368 -13.899 -9.332 1.00 63.12 H new ATOM 0 HD3 LYS A 69 -16.024 -13.069 -7.935 1.00 63.12 H new ATOM 0 HE2 LYS A 69 -17.435 -11.749 -9.194 1.00 11.10 H new ATOM 0 HE3 LYS A 69 -16.326 -11.654 -10.547 1.00 11.10 H new ATOM 0 HZ1 LYS A 69 -18.273 -12.959 -11.100 1.00 44.45 H new ATOM 0 HZ2 LYS A 69 -16.889 -13.942 -11.132 1.00 44.45 H new ATOM 0 HZ3 LYS A 69 -17.964 -14.033 -9.821 1.00 44.45 H new ATOM 1057 N SER A 70 -15.687 -9.561 -5.270 1.00 24.42 N ATOM 1058 CA SER A 70 -15.530 -8.665 -4.131 1.00 4.34 C ATOM 1059 C SER A 70 -14.076 -8.624 -3.667 1.00 54.44 C ATOM 1060 O SER A 70 -13.200 -9.224 -4.288 1.00 22.11 O ATOM 1061 CB SER A 70 -16.432 -9.109 -2.978 1.00 0.41 C ATOM 1062 OG SER A 70 -17.800 -8.930 -3.302 1.00 73.43 O ATOM 0 H SER A 70 -15.984 -10.506 -5.026 1.00 24.42 H new ATOM 0 HA SER A 70 -15.821 -7.663 -4.446 1.00 4.34 H new ATOM 0 HB2 SER A 70 -16.244 -10.158 -2.748 1.00 0.41 H new ATOM 0 HB3 SER A 70 -16.190 -8.538 -2.082 1.00 0.41 H new ATOM 0 HG SER A 70 -18.355 -9.223 -2.550 1.00 73.43 H new ATOM 1068 N GLN A 71 -13.831 -7.912 -2.572 1.00 50.13 N ATOM 1069 CA GLN A 71 -12.484 -7.791 -2.027 1.00 20.41 C ATOM 1070 C GLN A 71 -12.039 -9.102 -1.384 1.00 1.43 C ATOM 1071 O GLN A 71 -12.858 -9.977 -1.107 1.00 23.43 O ATOM 1072 CB GLN A 71 -12.428 -6.660 -0.998 1.00 43.02 C ATOM 1073 CG GLN A 71 -11.013 -6.221 -0.656 1.00 13.24 C ATOM 1074 CD GLN A 71 -10.967 -4.842 -0.028 1.00 43.11 C ATOM 1075 OE1 GLN A 71 -12.000 -4.202 0.172 1.00 72.22 O ATOM 1076 NE2 GLN A 71 -9.764 -4.374 0.287 1.00 74.12 N ATOM 0 H GLN A 71 -14.546 -7.411 -2.045 1.00 50.13 H new ATOM 0 HA GLN A 71 -11.805 -7.560 -2.848 1.00 20.41 H new ATOM 0 HB2 GLN A 71 -12.983 -5.804 -1.381 1.00 43.02 H new ATOM 0 HB3 GLN A 71 -12.930 -6.984 -0.086 1.00 43.02 H new ATOM 0 HG2 GLN A 71 -10.568 -6.943 0.028 1.00 13.24 H new ATOM 0 HG3 GLN A 71 -10.406 -6.224 -1.562 1.00 13.24 H new ATOM 0 HE21 GLN A 71 -8.934 -4.937 0.104 1.00 74.12 H new ATOM 0 HE22 GLN A 71 -9.671 -3.451 0.712 1.00 74.12 H new ATOM 1085 N GLU A 72 -10.736 -9.227 -1.152 1.00 31.45 N ATOM 1086 CA GLU A 72 -10.183 -10.431 -0.543 1.00 24.34 C ATOM 1087 C GLU A 72 -10.074 -10.275 0.971 1.00 12.32 C ATOM 1088 O GLU A 72 -10.367 -11.203 1.725 1.00 63.54 O ATOM 1089 CB GLU A 72 -8.806 -10.741 -1.134 1.00 63.44 C ATOM 1090 CG GLU A 72 -8.763 -10.663 -2.650 1.00 44.25 C ATOM 1091 CD GLU A 72 -8.018 -11.827 -3.275 1.00 1.11 C ATOM 1092 OE1 GLU A 72 -8.339 -12.986 -2.935 1.00 50.43 O ATOM 1093 OE2 GLU A 72 -7.115 -11.580 -4.101 1.00 54.34 O ATOM 0 H GLU A 72 -10.045 -8.511 -1.376 1.00 31.45 H new ATOM 0 HA GLU A 72 -10.859 -11.259 -0.758 1.00 24.34 H new ATOM 0 HB2 GLU A 72 -8.078 -10.043 -0.722 1.00 63.44 H new ATOM 0 HB3 GLU A 72 -8.502 -11.740 -0.821 1.00 63.44 H new ATOM 0 HG2 GLU A 72 -9.782 -10.639 -3.038 1.00 44.25 H new ATOM 0 HG3 GLU A 72 -8.286 -9.729 -2.948 1.00 44.25 H new ATOM 1100 N MET A 73 -9.651 -9.094 1.409 1.00 35.24 N ATOM 1101 CA MET A 73 -9.504 -8.816 2.833 1.00 13.25 C ATOM 1102 C MET A 73 -10.147 -7.480 3.195 1.00 23.13 C ATOM 1103 O MET A 73 -10.466 -6.677 2.319 1.00 13.53 O ATOM 1104 CB MET A 73 -8.025 -8.805 3.224 1.00 14.20 C ATOM 1105 CG MET A 73 -7.407 -10.192 3.300 1.00 44.42 C ATOM 1106 SD MET A 73 -6.241 -10.359 4.665 1.00 45.22 S ATOM 1107 CE MET A 73 -5.364 -8.801 4.553 1.00 63.11 C ATOM 0 H MET A 73 -9.404 -8.315 0.799 1.00 35.24 H new ATOM 0 HA MET A 73 -10.012 -9.606 3.386 1.00 13.25 H new ATOM 0 HB2 MET A 73 -7.470 -8.208 2.500 1.00 14.20 H new ATOM 0 HB3 MET A 73 -7.917 -8.314 4.191 1.00 14.20 H new ATOM 0 HG2 MET A 73 -8.199 -10.933 3.411 1.00 44.42 H new ATOM 0 HG3 MET A 73 -6.896 -10.410 2.362 1.00 44.42 H new ATOM 0 HE1 MET A 73 -4.298 -8.972 4.702 1.00 63.11 H new ATOM 0 HE2 MET A 73 -5.527 -8.362 3.569 1.00 63.11 H new ATOM 0 HE3 MET A 73 -5.733 -8.120 5.320 1.00 63.11 H new ATOM 1117 N SER A 74 -10.333 -7.249 4.491 1.00 71.33 N ATOM 1118 CA SER A 74 -10.942 -6.013 4.968 1.00 72.32 C ATOM 1119 C SER A 74 -9.909 -4.893 5.040 1.00 14.31 C ATOM 1120 O SER A 74 -8.726 -5.137 5.274 1.00 72.23 O ATOM 1121 CB SER A 74 -11.574 -6.229 6.344 1.00 21.02 C ATOM 1122 OG SER A 74 -12.809 -6.915 6.236 1.00 33.51 O ATOM 0 H SER A 74 -10.071 -7.902 5.229 1.00 71.33 H new ATOM 0 HA SER A 74 -11.719 -5.723 4.261 1.00 72.32 H new ATOM 0 HB2 SER A 74 -10.892 -6.799 6.975 1.00 21.02 H new ATOM 0 HB3 SER A 74 -11.730 -5.266 6.831 1.00 21.02 H new ATOM 0 HG SER A 74 -13.192 -7.042 7.129 1.00 33.51 H new ATOM 1128 N ASN A 75 -10.367 -3.661 4.838 1.00 51.32 N ATOM 1129 CA ASN A 75 -9.484 -2.501 4.879 1.00 42.11 C ATOM 1130 C ASN A 75 -8.651 -2.496 6.157 1.00 11.31 C ATOM 1131 O ASN A 75 -7.481 -2.118 6.145 1.00 3.41 O ATOM 1132 CB ASN A 75 -10.299 -1.210 4.782 1.00 43.43 C ATOM 1133 CG ASN A 75 -10.664 -0.862 3.352 1.00 52.14 C ATOM 1134 OD1 ASN A 75 -11.829 -0.621 3.038 1.00 74.32 O ATOM 1135 ND2 ASN A 75 -9.666 -0.836 2.476 1.00 14.30 N ATOM 0 H ASN A 75 -11.344 -3.441 4.644 1.00 51.32 H new ATOM 0 HA ASN A 75 -8.807 -2.560 4.026 1.00 42.11 H new ATOM 0 HB2 ASN A 75 -11.210 -1.314 5.372 1.00 43.43 H new ATOM 0 HB3 ASN A 75 -9.729 -0.390 5.218 1.00 43.43 H new ATOM 0 HD21 ASN A 75 -9.851 -0.609 1.499 1.00 14.30 H new ATOM 0 HD22 ASN A 75 -8.715 -1.043 2.780 1.00 14.30 H new ATOM 1142 N GLU A 76 -9.265 -2.920 7.258 1.00 50.21 N ATOM 1143 CA GLU A 76 -8.581 -2.963 8.544 1.00 22.34 C ATOM 1144 C GLU A 76 -7.408 -3.940 8.504 1.00 52.31 C ATOM 1145 O GLU A 76 -6.302 -3.614 8.932 1.00 3.42 O ATOM 1146 CB GLU A 76 -9.555 -3.365 9.653 1.00 51.45 C ATOM 1147 CG GLU A 76 -10.307 -4.654 9.364 1.00 34.33 C ATOM 1148 CD GLU A 76 -9.672 -5.861 10.026 1.00 11.34 C ATOM 1149 OE1 GLU A 76 -8.533 -5.735 10.523 1.00 24.13 O ATOM 1150 OE2 GLU A 76 -10.314 -6.931 10.049 1.00 42.12 O ATOM 0 H GLU A 76 -10.234 -3.238 7.284 1.00 50.21 H new ATOM 0 HA GLU A 76 -8.195 -1.966 8.754 1.00 22.34 H new ATOM 0 HB2 GLU A 76 -9.004 -3.477 10.586 1.00 51.45 H new ATOM 0 HB3 GLU A 76 -10.275 -2.560 9.803 1.00 51.45 H new ATOM 0 HG2 GLU A 76 -11.336 -4.555 9.709 1.00 34.33 H new ATOM 0 HG3 GLU A 76 -10.346 -4.814 8.286 1.00 34.33 H new ATOM 1157 N GLU A 77 -7.661 -5.138 7.988 1.00 53.23 N ATOM 1158 CA GLU A 77 -6.628 -6.162 7.893 1.00 12.05 C ATOM 1159 C GLU A 77 -5.475 -5.692 7.010 1.00 50.33 C ATOM 1160 O GLU A 77 -4.306 -5.876 7.348 1.00 13.21 O ATOM 1161 CB GLU A 77 -7.215 -7.461 7.336 1.00 22.20 C ATOM 1162 CG GLU A 77 -8.353 -8.023 8.172 1.00 3.11 C ATOM 1163 CD GLU A 77 -8.417 -9.537 8.128 1.00 43.41 C ATOM 1164 OE1 GLU A 77 -8.845 -10.082 7.089 1.00 5.00 O ATOM 1165 OE2 GLU A 77 -8.039 -10.176 9.132 1.00 72.15 O ATOM 0 H GLU A 77 -8.572 -5.423 7.629 1.00 53.23 H new ATOM 0 HA GLU A 77 -6.243 -6.347 8.896 1.00 12.05 H new ATOM 0 HB2 GLU A 77 -7.574 -7.282 6.322 1.00 22.20 H new ATOM 0 HB3 GLU A 77 -6.423 -8.207 7.267 1.00 22.20 H new ATOM 0 HG2 GLU A 77 -8.234 -7.698 9.206 1.00 3.11 H new ATOM 0 HG3 GLU A 77 -9.298 -7.613 7.815 1.00 3.11 H new ATOM 1172 N ILE A 78 -5.815 -5.086 5.878 1.00 45.45 N ATOM 1173 CA ILE A 78 -4.810 -4.589 4.946 1.00 65.32 C ATOM 1174 C ILE A 78 -4.017 -3.438 5.555 1.00 53.31 C ATOM 1175 O ILE A 78 -2.793 -3.385 5.444 1.00 72.44 O ATOM 1176 CB ILE A 78 -5.448 -4.118 3.627 1.00 13.51 C ATOM 1177 CG1 ILE A 78 -6.347 -5.213 3.049 1.00 3.41 C ATOM 1178 CG2 ILE A 78 -4.371 -3.725 2.627 1.00 72.43 C ATOM 1179 CD1 ILE A 78 -7.206 -4.745 1.895 1.00 3.34 C ATOM 0 H ILE A 78 -6.779 -4.927 5.584 1.00 45.45 H new ATOM 0 HA ILE A 78 -4.136 -5.420 4.736 1.00 65.32 H new ATOM 0 HB ILE A 78 -6.062 -3.241 3.832 1.00 13.51 H new ATOM 0 HG12 ILE A 78 -5.725 -6.043 2.715 1.00 3.41 H new ATOM 0 HG13 ILE A 78 -6.992 -5.596 3.839 1.00 3.41 H new ATOM 0 HG21 ILE A 78 -4.839 -3.394 1.700 1.00 72.43 H new ATOM 0 HG22 ILE A 78 -3.770 -2.915 3.039 1.00 72.43 H new ATOM 0 HG23 ILE A 78 -3.732 -4.584 2.425 1.00 72.43 H new ATOM 0 HD11 ILE A 78 -7.816 -5.574 1.536 1.00 3.34 H new ATOM 0 HD12 ILE A 78 -7.854 -3.935 2.229 1.00 3.34 H new ATOM 0 HD13 ILE A 78 -6.567 -4.389 1.087 1.00 3.34 H new ATOM 1191 N ASN A 79 -4.725 -2.516 6.201 1.00 53.15 N ATOM 1192 CA ASN A 79 -4.088 -1.365 6.830 1.00 42.34 C ATOM 1193 C ASN A 79 -3.090 -1.809 7.894 1.00 12.21 C ATOM 1194 O ASN A 79 -1.990 -1.267 7.993 1.00 10.23 O ATOM 1195 CB ASN A 79 -5.143 -0.449 7.453 1.00 71.33 C ATOM 1196 CG ASN A 79 -4.740 0.042 8.830 1.00 15.33 C ATOM 1197 OD1 ASN A 79 -4.109 1.091 8.968 1.00 63.35 O ATOM 1198 ND2 ASN A 79 -5.105 -0.714 9.859 1.00 75.04 N ATOM 0 H ASN A 79 -5.740 -2.544 6.302 1.00 53.15 H new ATOM 0 HA ASN A 79 -3.548 -0.814 6.060 1.00 42.34 H new ATOM 0 HB2 ASN A 79 -5.309 0.407 6.799 1.00 71.33 H new ATOM 0 HB3 ASN A 79 -6.090 -0.985 7.524 1.00 71.33 H new ATOM 0 HD21 ASN A 79 -4.863 -0.433 10.809 1.00 75.04 H new ATOM 0 HD22 ASN A 79 -5.627 -1.576 9.699 1.00 75.04 H new ATOM 1205 N GLU A 80 -3.483 -2.800 8.689 1.00 62.30 N ATOM 1206 CA GLU A 80 -2.623 -3.317 9.747 1.00 71.44 C ATOM 1207 C GLU A 80 -1.522 -4.203 9.169 1.00 35.11 C ATOM 1208 O GLU A 80 -0.436 -4.309 9.736 1.00 12.34 O ATOM 1209 CB GLU A 80 -3.448 -4.108 10.765 1.00 41.32 C ATOM 1210 CG GLU A 80 -3.989 -5.420 10.222 1.00 54.03 C ATOM 1211 CD GLU A 80 -4.598 -6.292 11.303 1.00 40.52 C ATOM 1212 OE1 GLU A 80 -5.312 -5.748 12.171 1.00 21.04 O ATOM 1213 OE2 GLU A 80 -4.361 -7.517 11.280 1.00 63.21 O ATOM 0 H GLU A 80 -4.391 -3.260 8.620 1.00 62.30 H new ATOM 0 HA GLU A 80 -2.157 -2.469 10.249 1.00 71.44 H new ATOM 0 HB2 GLU A 80 -2.831 -4.313 11.639 1.00 41.32 H new ATOM 0 HB3 GLU A 80 -4.282 -3.492 11.101 1.00 41.32 H new ATOM 0 HG2 GLU A 80 -4.742 -5.211 9.462 1.00 54.03 H new ATOM 0 HG3 GLU A 80 -3.183 -5.966 9.731 1.00 54.03 H new ATOM 1220 N GLU A 81 -1.815 -4.837 8.038 1.00 22.13 N ATOM 1221 CA GLU A 81 -0.851 -5.715 7.384 1.00 1.23 C ATOM 1222 C GLU A 81 0.354 -4.924 6.883 1.00 15.23 C ATOM 1223 O GLU A 81 1.500 -5.256 7.188 1.00 10.24 O ATOM 1224 CB GLU A 81 -1.510 -6.455 6.218 1.00 0.44 C ATOM 1225 CG GLU A 81 -0.580 -7.425 5.510 1.00 14.12 C ATOM 1226 CD GLU A 81 0.007 -8.461 6.449 1.00 40.10 C ATOM 1227 OE1 GLU A 81 -0.637 -9.512 6.649 1.00 25.23 O ATOM 1228 OE2 GLU A 81 1.110 -8.220 6.983 1.00 73.13 O ATOM 0 H GLU A 81 -2.711 -4.759 7.556 1.00 22.13 H new ATOM 0 HA GLU A 81 -0.506 -6.443 8.118 1.00 1.23 H new ATOM 0 HB2 GLU A 81 -2.377 -7.001 6.589 1.00 0.44 H new ATOM 0 HB3 GLU A 81 -1.878 -5.725 5.497 1.00 0.44 H new ATOM 0 HG2 GLU A 81 -1.126 -7.930 4.713 1.00 14.12 H new ATOM 0 HG3 GLU A 81 0.229 -6.868 5.038 1.00 14.12 H new ATOM 1235 N LEU A 82 0.086 -3.875 6.113 1.00 54.32 N ATOM 1236 CA LEU A 82 1.147 -3.035 5.569 1.00 45.22 C ATOM 1237 C LEU A 82 1.597 -1.996 6.590 1.00 0.35 C ATOM 1238 O LEU A 82 2.748 -1.559 6.582 1.00 61.42 O ATOM 1239 CB LEU A 82 0.669 -2.339 4.293 1.00 45.41 C ATOM 1240 CG LEU A 82 0.160 -3.255 3.179 1.00 14.12 C ATOM 1241 CD1 LEU A 82 -1.305 -2.971 2.884 1.00 74.13 C ATOM 1242 CD2 LEU A 82 1.001 -3.087 1.923 1.00 1.12 C ATOM 0 H LEU A 82 -0.857 -3.586 5.851 1.00 54.32 H new ATOM 0 HA LEU A 82 1.997 -3.675 5.331 1.00 45.22 H new ATOM 0 HB2 LEU A 82 -0.129 -1.645 4.558 1.00 45.41 H new ATOM 0 HB3 LEU A 82 1.492 -1.743 3.898 1.00 45.41 H new ATOM 0 HG LEU A 82 0.249 -4.288 3.515 1.00 14.12 H new ATOM 0 HD11 LEU A 82 -1.651 -3.632 2.089 1.00 74.13 H new ATOM 0 HD12 LEU A 82 -1.897 -3.144 3.783 1.00 74.13 H new ATOM 0 HD13 LEU A 82 -1.418 -1.934 2.569 1.00 74.13 H new ATOM 0 HD21 LEU A 82 0.624 -3.747 1.142 1.00 1.12 H new ATOM 0 HD22 LEU A 82 0.945 -2.053 1.583 1.00 1.12 H new ATOM 0 HD23 LEU A 82 2.038 -3.341 2.143 1.00 1.12 H new ATOM 1254 N GLY A 83 0.682 -1.604 7.471 1.00 34.32 N ATOM 1255 CA GLY A 83 1.004 -0.621 8.489 1.00 41.21 C ATOM 1256 C GLY A 83 0.885 0.802 7.978 1.00 31.04 C ATOM 1257 O GLY A 83 1.685 1.666 8.338 1.00 2.41 O ATOM 0 H GLY A 83 -0.277 -1.950 7.498 1.00 34.32 H new ATOM 0 HA2 GLY A 83 0.339 -0.754 9.342 1.00 41.21 H new ATOM 0 HA3 GLY A 83 2.019 -0.792 8.847 1.00 41.21 H new ATOM 1261 N ILE A 84 -0.114 1.046 7.137 1.00 74.31 N ATOM 1262 CA ILE A 84 -0.334 2.373 6.577 1.00 74.34 C ATOM 1263 C ILE A 84 -1.515 3.064 7.249 1.00 53.05 C ATOM 1264 O ILE A 84 -2.103 2.536 8.193 1.00 45.24 O ATOM 1265 CB ILE A 84 -0.587 2.307 5.059 1.00 2.53 C ATOM 1266 CG1 ILE A 84 -1.820 1.452 4.761 1.00 4.21 C ATOM 1267 CG2 ILE A 84 0.635 1.755 4.342 1.00 61.44 C ATOM 1268 CD1 ILE A 84 -2.218 1.454 3.302 1.00 12.11 C ATOM 0 H ILE A 84 -0.784 0.342 6.828 1.00 74.31 H new ATOM 0 HA ILE A 84 0.573 2.949 6.762 1.00 74.34 H new ATOM 0 HB ILE A 84 -0.773 3.317 4.692 1.00 2.53 H new ATOM 0 HG12 ILE A 84 -1.625 0.426 5.075 1.00 4.21 H new ATOM 0 HG13 ILE A 84 -2.657 1.815 5.358 1.00 4.21 H new ATOM 0 HG21 ILE A 84 0.441 1.714 3.270 1.00 61.44 H new ATOM 0 HG22 ILE A 84 1.491 2.402 4.531 1.00 61.44 H new ATOM 0 HG23 ILE A 84 0.850 0.752 4.710 1.00 61.44 H new ATOM 0 HD11 ILE A 84 -3.099 0.827 3.164 1.00 12.11 H new ATOM 0 HD12 ILE A 84 -2.445 2.473 2.988 1.00 12.11 H new ATOM 0 HD13 ILE A 84 -1.397 1.063 2.700 1.00 12.11 H new ATOM 1280 N GLY A 85 -1.860 4.250 6.754 1.00 73.02 N ATOM 1281 CA GLY A 85 -2.972 4.993 7.318 1.00 4.30 C ATOM 1282 C GLY A 85 -4.136 5.114 6.354 1.00 12.22 C ATOM 1283 O GLY A 85 -4.473 6.212 5.914 1.00 52.32 O ATOM 0 H GLY A 85 -1.390 4.708 5.974 1.00 73.02 H new ATOM 0 HA2 GLY A 85 -3.309 4.500 8.230 1.00 4.30 H new ATOM 0 HA3 GLY A 85 -2.633 5.990 7.601 1.00 4.30 H new ATOM 1287 N GLN A 86 -4.750 3.982 6.026 1.00 33.03 N ATOM 1288 CA GLN A 86 -5.882 3.967 5.107 1.00 20.42 C ATOM 1289 C GLN A 86 -7.000 4.875 5.605 1.00 33.02 C ATOM 1290 O GLN A 86 -6.902 5.463 6.683 1.00 53.55 O ATOM 1291 CB GLN A 86 -6.406 2.540 4.935 1.00 62.11 C ATOM 1292 CG GLN A 86 -6.032 1.910 3.603 1.00 25.22 C ATOM 1293 CD GLN A 86 -6.084 0.395 3.638 1.00 21.03 C ATOM 1294 OE1 GLN A 86 -6.994 -0.192 4.224 1.00 21.03 O ATOM 1295 NE2 GLN A 86 -5.107 -0.246 3.008 1.00 2.13 N ATOM 0 H GLN A 86 -4.483 3.064 6.382 1.00 33.03 H new ATOM 0 HA GLN A 86 -5.539 4.340 4.142 1.00 20.42 H new ATOM 0 HB2 GLN A 86 -6.017 1.920 5.743 1.00 62.11 H new ATOM 0 HB3 GLN A 86 -7.492 2.546 5.032 1.00 62.11 H new ATOM 0 HG2 GLN A 86 -6.709 2.275 2.830 1.00 25.22 H new ATOM 0 HG3 GLN A 86 -5.028 2.229 3.324 1.00 25.22 H new ATOM 0 HE21 GLN A 86 -4.373 0.281 2.535 1.00 2.13 H new ATOM 0 HE22 GLN A 86 -5.090 -1.266 2.997 1.00 2.13 H new