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 75 ASN : amide:sc= -0.647 X(o=-5.8,f=-6) USER MOD Set 1.2: A 86 GLN : amide:sc= -5.18! K(o=-5.8!,f=-2.8) USER MOD Set 2.1: A 31 CYS SG : rot 144:sc= 0.433 USER MOD Set 2.2: A 34 CYS SG : rot -58:sc= 0.81 USER MOD Set 2.3: A 56 CYS SG : rot 117:sc= 0.156 USER MOD Set 2.4: A 57 MET CE :methyl 152:sc= -1.63 (180deg=-1.96!) USER MOD Set 2.5: A 67 CYS SG : rot -61:sc= 0.307 USER MOD Single : A 26 SER OG : rot -32:sc= 0.111 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= -2.53 K(o=-2.5,f=-0.88) USER MOD Single : A 59 ASN : amide:sc= 0.365 K(o=0.37,f=-5.5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 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= -2.4 K(o=-2.4,f=-3.6!) USER MOD Single : A 73 MET CE :methyl -135:sc= -4.25 (180deg=-6.21!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0691 USER MOD Single : A 79 ASN : amide:sc= -0.324 K(o=-0.32,f=0.72) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.689 -12.373 -1.210 1.00 24.31 N ATOM 367 CA SER A 26 3.394 -11.822 -1.586 1.00 14.15 C ATOM 368 C SER A 26 3.401 -10.300 -1.484 1.00 15.04 C ATOM 369 O SER A 26 4.017 -9.729 -0.585 1.00 30.22 O ATOM 370 CB SER A 26 2.292 -12.399 -0.694 1.00 52.12 C ATOM 371 OG SER A 26 2.581 -12.185 0.676 1.00 35.13 O ATOM 0 HA SER A 26 3.196 -12.099 -2.622 1.00 14.15 H new ATOM 0 HB2 SER A 26 1.338 -11.936 -0.944 1.00 52.12 H new ATOM 0 HB3 SER A 26 2.188 -13.467 -0.884 1.00 52.12 H new ATOM 0 HG SER A 26 3.551 -12.206 0.813 1.00 35.13 H new ATOM 377 N ALA A 27 2.709 -9.648 -2.413 1.00 51.22 N ATOM 378 CA ALA A 27 2.633 -8.192 -2.428 1.00 4.30 C ATOM 379 C ALA A 27 1.193 -7.719 -2.598 1.00 41.33 C ATOM 380 O ALA A 27 0.305 -8.508 -2.923 1.00 5.35 O ATOM 381 CB ALA A 27 3.510 -7.629 -3.537 1.00 71.31 C ATOM 0 H ALA A 27 2.193 -10.105 -3.165 1.00 51.22 H new ATOM 0 HA ALA A 27 2.998 -7.824 -1.469 1.00 4.30 H new ATOM 0 HB1 ALA A 27 3.444 -6.541 -3.537 1.00 71.31 H new ATOM 0 HB2 ALA A 27 4.544 -7.929 -3.371 1.00 71.31 H new ATOM 0 HB3 ALA A 27 3.171 -8.013 -4.499 1.00 71.31 H new ATOM 387 N TRP A 28 0.970 -6.429 -2.378 1.00 42.10 N ATOM 388 CA TRP A 28 -0.363 -5.851 -2.506 1.00 74.15 C ATOM 389 C TRP A 28 -0.496 -5.074 -3.811 1.00 12.14 C ATOM 390 O TRP A 28 0.419 -4.354 -4.212 1.00 21.43 O ATOM 391 CB TRP A 28 -0.661 -4.935 -1.319 1.00 34.41 C ATOM 392 CG TRP A 28 -1.061 -5.678 -0.080 1.00 60.32 C ATOM 393 CD1 TRP A 28 -0.322 -5.831 1.058 1.00 70.24 C ATOM 394 CD2 TRP A 28 -2.293 -6.371 0.143 1.00 21.31 C ATOM 395 NE1 TRP A 28 -1.022 -6.578 1.975 1.00 42.50 N ATOM 396 CE2 TRP A 28 -2.234 -6.921 1.439 1.00 14.31 C ATOM 397 CE3 TRP A 28 -3.442 -6.581 -0.625 1.00 33.23 C ATOM 398 CZ2 TRP A 28 -3.279 -7.665 1.980 1.00 21.31 C ATOM 399 CZ3 TRP A 28 -4.479 -7.319 -0.086 1.00 43.23 C ATOM 400 CH2 TRP A 28 -4.392 -7.853 1.206 1.00 63.30 C ATOM 0 H TRP A 28 1.695 -5.763 -2.110 1.00 42.10 H new ATOM 0 HA TRP A 28 -1.086 -6.667 -2.515 1.00 74.15 H new ATOM 0 HB2 TRP A 28 0.222 -4.333 -1.104 1.00 34.41 H new ATOM 0 HB3 TRP A 28 -1.459 -4.245 -1.593 1.00 34.41 H new ATOM 0 HD1 TRP A 28 0.666 -5.425 1.214 1.00 70.24 H new ATOM 0 HE1 TRP A 28 -0.692 -6.835 2.905 1.00 42.50 H new ATOM 0 HE3 TRP A 28 -3.518 -6.174 -1.622 1.00 33.23 H new ATOM 0 HZ2 TRP A 28 -3.214 -8.079 2.975 1.00 21.31 H new ATOM 0 HZ3 TRP A 28 -5.371 -7.487 -0.671 1.00 43.23 H new ATOM 0 HH2 TRP A 28 -5.220 -8.425 1.599 1.00 63.30 H new ATOM 411 N VAL A 29 -1.642 -5.221 -4.470 1.00 4.01 N ATOM 412 CA VAL A 29 -1.894 -4.531 -5.729 1.00 43.34 C ATOM 413 C VAL A 29 -3.284 -3.906 -5.744 1.00 72.52 C ATOM 414 O VAL A 29 -4.253 -4.512 -5.285 1.00 12.23 O ATOM 415 CB VAL A 29 -1.759 -5.486 -6.930 1.00 72.01 C ATOM 416 CG1 VAL A 29 -0.296 -5.799 -7.201 1.00 61.52 C ATOM 417 CG2 VAL A 29 -2.551 -6.762 -6.686 1.00 42.14 C ATOM 0 H VAL A 29 -2.410 -5.812 -4.152 1.00 4.01 H new ATOM 0 HA VAL A 29 -1.144 -3.745 -5.814 1.00 43.34 H new ATOM 0 HB VAL A 29 -2.169 -4.994 -7.812 1.00 72.01 H new ATOM 0 HG11 VAL A 29 -0.220 -6.475 -8.053 1.00 61.52 H new ATOM 0 HG12 VAL A 29 0.239 -4.875 -7.422 1.00 61.52 H new ATOM 0 HG13 VAL A 29 0.144 -6.271 -6.323 1.00 61.52 H new ATOM 0 HG21 VAL A 29 -2.445 -7.426 -7.544 1.00 42.14 H new ATOM 0 HG22 VAL A 29 -2.173 -7.260 -5.793 1.00 42.14 H new ATOM 0 HG23 VAL A 29 -3.604 -6.516 -6.546 1.00 42.14 H new ATOM 427 N ARG A 30 -3.376 -2.691 -6.274 1.00 61.13 N ATOM 428 CA ARG A 30 -4.648 -1.983 -6.349 1.00 23.53 C ATOM 429 C ARG A 30 -5.175 -1.961 -7.781 1.00 1.52 C ATOM 430 O ARG A 30 -4.410 -1.799 -8.732 1.00 55.12 O ATOM 431 CB ARG A 30 -4.491 -0.553 -5.828 1.00 74.43 C ATOM 432 CG ARG A 30 -5.804 0.207 -5.733 1.00 33.21 C ATOM 433 CD ARG A 30 -5.697 1.585 -6.365 1.00 14.22 C ATOM 434 NE ARG A 30 -5.489 1.511 -7.809 1.00 4.42 N ATOM 435 CZ ARG A 30 -4.981 2.504 -8.529 1.00 51.23 C ATOM 436 NH1 ARG A 30 -4.632 3.642 -7.945 1.00 3.13 N ATOM 437 NH2 ARG A 30 -4.821 2.361 -9.839 1.00 10.25 N ATOM 0 H ARG A 30 -2.584 -2.176 -6.658 1.00 61.13 H new ATOM 0 HA ARG A 30 -5.368 -2.512 -5.725 1.00 23.53 H new ATOM 0 HB2 ARG A 30 -4.026 -0.583 -4.843 1.00 74.43 H new ATOM 0 HB3 ARG A 30 -3.812 -0.008 -6.484 1.00 74.43 H new ATOM 0 HG2 ARG A 30 -6.591 -0.361 -6.228 1.00 33.21 H new ATOM 0 HG3 ARG A 30 -6.093 0.307 -4.687 1.00 33.21 H new ATOM 0 HD2 ARG A 30 -6.606 2.150 -6.158 1.00 14.22 H new ATOM 0 HD3 ARG A 30 -4.872 2.130 -5.907 1.00 14.22 H new ATOM 0 HE ARG A 30 -5.748 0.650 -8.290 1.00 4.42 H new ATOM 0 HH11 ARG A 30 -4.753 3.757 -6.939 1.00 3.13 H new ATOM 0 HH12 ARG A 30 -4.242 4.402 -8.502 1.00 3.13 H new ATOM 0 HH21 ARG A 30 -5.088 1.488 -10.293 1.00 10.25 H new ATOM 0 HH22 ARG A 30 -4.431 3.124 -10.391 1.00 10.25 H new ATOM 451 N CYS A 31 -6.485 -2.125 -7.927 1.00 1.21 N ATOM 452 CA CYS A 31 -7.115 -2.124 -9.242 1.00 15.32 C ATOM 453 C CYS A 31 -7.244 -0.703 -9.782 1.00 1.42 C ATOM 454 O CYS A 31 -7.581 0.224 -9.046 1.00 12.24 O ATOM 455 CB CYS A 31 -8.494 -2.781 -9.170 1.00 33.42 C ATOM 456 SG CYS A 31 -9.317 -2.963 -10.785 1.00 51.31 S ATOM 0 H CYS A 31 -7.132 -2.260 -7.150 1.00 1.21 H new ATOM 0 HA CYS A 31 -6.482 -2.696 -9.921 1.00 15.32 H new ATOM 0 HB2 CYS A 31 -8.392 -3.765 -8.713 1.00 33.42 H new ATOM 0 HB3 CYS A 31 -9.132 -2.190 -8.514 1.00 33.42 H new ATOM 0 HG CYS A 31 -9.987 -4.077 -10.808 1.00 51.31 H new ATOM 461 N ASP A 32 -6.973 -0.540 -11.073 1.00 12.34 N ATOM 462 CA ASP A 32 -7.060 0.768 -11.713 1.00 63.24 C ATOM 463 C ASP A 32 -8.394 0.931 -12.435 1.00 15.35 C ATOM 464 O ASP A 32 -8.464 1.548 -13.498 1.00 14.03 O ATOM 465 CB ASP A 32 -5.906 0.954 -12.700 1.00 30.44 C ATOM 466 CG ASP A 32 -5.649 2.413 -13.021 1.00 62.25 C ATOM 467 OD1 ASP A 32 -6.409 3.271 -12.527 1.00 0.51 O ATOM 468 OD2 ASP A 32 -4.688 2.696 -13.768 1.00 23.25 O ATOM 0 H ASP A 32 -6.691 -1.297 -11.696 1.00 12.34 H new ATOM 0 HA ASP A 32 -6.991 1.531 -10.937 1.00 63.24 H new ATOM 0 HB2 ASP A 32 -5.001 0.512 -12.284 1.00 30.44 H new ATOM 0 HB3 ASP A 32 -6.129 0.416 -13.621 1.00 30.44 H new ATOM 473 N ASP A 33 -9.450 0.376 -11.849 1.00 2.31 N ATOM 474 CA ASP A 33 -10.782 0.460 -12.436 1.00 1.35 C ATOM 475 C ASP A 33 -11.846 0.587 -11.351 1.00 20.33 C ATOM 476 O ASP A 33 -12.785 1.375 -11.475 1.00 40.02 O ATOM 477 CB ASP A 33 -11.061 -0.770 -13.300 1.00 54.54 C ATOM 478 CG ASP A 33 -12.312 -0.614 -14.143 1.00 10.23 C ATOM 479 OD1 ASP A 33 -12.462 0.441 -14.793 1.00 44.15 O ATOM 480 OD2 ASP A 33 -13.141 -1.548 -14.151 1.00 44.11 O ATOM 0 H ASP A 33 -9.409 -0.137 -10.968 1.00 2.31 H new ATOM 0 HA ASP A 33 -10.820 1.350 -13.064 1.00 1.35 H new ATOM 0 HB2 ASP A 33 -10.207 -0.953 -13.952 1.00 54.54 H new ATOM 0 HB3 ASP A 33 -11.166 -1.645 -12.658 1.00 54.54 H new ATOM 485 N CYS A 34 -11.695 -0.194 -10.287 1.00 0.25 N ATOM 486 CA CYS A 34 -12.643 -0.171 -9.179 1.00 72.13 C ATOM 487 C CYS A 34 -11.962 0.274 -7.889 1.00 3.15 C ATOM 488 O CYS A 34 -12.625 0.584 -6.898 1.00 72.31 O ATOM 489 CB CYS A 34 -13.269 -1.554 -8.987 1.00 61.13 C ATOM 490 SG CYS A 34 -12.096 -2.829 -8.425 1.00 65.20 S ATOM 0 H CYS A 34 -10.924 -0.852 -10.168 1.00 0.25 H new ATOM 0 HA CYS A 34 -13.428 0.546 -9.421 1.00 72.13 H new ATOM 0 HB2 CYS A 34 -14.080 -1.477 -8.263 1.00 61.13 H new ATOM 0 HB3 CYS A 34 -13.713 -1.874 -9.930 1.00 61.13 H new ATOM 0 HG CYS A 34 -11.118 -2.924 -9.276 1.00 65.20 H new ATOM 495 N PHE A 35 -10.634 0.304 -7.907 1.00 64.14 N ATOM 496 CA PHE A 35 -9.862 0.710 -6.738 1.00 41.41 C ATOM 497 C PHE A 35 -10.106 -0.239 -5.568 1.00 43.44 C ATOM 498 O PHE A 35 -10.851 0.078 -4.642 1.00 72.23 O ATOM 499 CB PHE A 35 -10.224 2.140 -6.334 1.00 12.11 C ATOM 500 CG PHE A 35 -9.261 3.171 -6.847 1.00 44.53 C ATOM 501 CD1 PHE A 35 -8.893 3.192 -8.183 1.00 23.44 C ATOM 502 CD2 PHE A 35 -8.721 4.120 -5.993 1.00 51.20 C ATOM 503 CE1 PHE A 35 -8.005 4.139 -8.657 1.00 71.22 C ATOM 504 CE2 PHE A 35 -7.832 5.070 -6.462 1.00 34.22 C ATOM 505 CZ PHE A 35 -7.475 5.080 -7.796 1.00 35.13 C ATOM 0 H PHE A 35 -10.069 0.052 -8.718 1.00 64.14 H new ATOM 0 HA PHE A 35 -8.805 0.670 -7.000 1.00 41.41 H new ATOM 0 HB2 PHE A 35 -11.223 2.372 -6.704 1.00 12.11 H new ATOM 0 HB3 PHE A 35 -10.265 2.202 -5.247 1.00 12.11 H new ATOM 0 HD1 PHE A 35 -9.305 2.460 -8.862 1.00 23.44 H new ATOM 0 HD2 PHE A 35 -8.998 4.118 -4.949 1.00 51.20 H new ATOM 0 HE1 PHE A 35 -7.726 4.143 -9.700 1.00 71.22 H new ATOM 0 HE2 PHE A 35 -7.418 5.803 -5.786 1.00 34.22 H new ATOM 0 HZ PHE A 35 -6.783 5.822 -8.165 1.00 35.13 H new ATOM 515 N LYS A 36 -9.470 -1.405 -5.618 1.00 73.21 N ATOM 516 CA LYS A 36 -9.617 -2.402 -4.564 1.00 44.22 C ATOM 517 C LYS A 36 -8.297 -3.127 -4.315 1.00 73.44 C ATOM 518 O LYS A 36 -7.566 -3.443 -5.255 1.00 5.14 O ATOM 519 CB LYS A 36 -10.705 -3.411 -4.935 1.00 50.05 C ATOM 520 CG LYS A 36 -11.526 -3.884 -3.749 1.00 11.35 C ATOM 521 CD LYS A 36 -12.693 -2.951 -3.471 1.00 71.12 C ATOM 522 CE LYS A 36 -13.598 -3.499 -2.378 1.00 45.13 C ATOM 523 NZ LYS A 36 -15.026 -3.146 -2.611 1.00 3.44 N ATOM 0 H LYS A 36 -8.848 -1.683 -6.377 1.00 73.21 H new ATOM 0 HA LYS A 36 -9.907 -1.887 -3.648 1.00 44.22 H new ATOM 0 HB2 LYS A 36 -11.371 -2.960 -5.671 1.00 50.05 H new ATOM 0 HB3 LYS A 36 -10.241 -4.274 -5.412 1.00 50.05 H new ATOM 0 HG2 LYS A 36 -11.901 -4.889 -3.942 1.00 11.35 H new ATOM 0 HG3 LYS A 36 -10.890 -3.945 -2.866 1.00 11.35 H new ATOM 0 HD2 LYS A 36 -12.315 -1.972 -3.175 1.00 71.12 H new ATOM 0 HD3 LYS A 36 -13.270 -2.807 -4.384 1.00 71.12 H new ATOM 0 HE2 LYS A 36 -13.495 -4.583 -2.331 1.00 45.13 H new ATOM 0 HE3 LYS A 36 -13.280 -3.106 -1.412 1.00 45.13 H new ATOM 0 HZ1 LYS A 36 -15.610 -3.538 -1.845 1.00 3.44 H new ATOM 0 HZ2 LYS A 36 -15.129 -2.111 -2.631 1.00 3.44 H new ATOM 0 HZ3 LYS A 36 -15.338 -3.542 -3.521 1.00 3.44 H new ATOM 537 N TRP A 37 -8.002 -3.390 -3.048 1.00 60.31 N ATOM 538 CA TRP A 37 -6.772 -4.081 -2.678 1.00 11.22 C ATOM 539 C TRP A 37 -6.839 -5.555 -3.062 1.00 43.15 C ATOM 540 O TRP A 37 -7.871 -6.204 -2.893 1.00 73.03 O ATOM 541 CB TRP A 37 -6.519 -3.943 -1.175 1.00 61.20 C ATOM 542 CG TRP A 37 -5.747 -2.711 -0.813 1.00 55.04 C ATOM 543 CD1 TRP A 37 -6.091 -1.773 0.118 1.00 31.24 C ATOM 544 CD2 TRP A 37 -4.503 -2.281 -1.378 1.00 34.25 C ATOM 545 NE1 TRP A 37 -5.136 -0.786 0.166 1.00 30.04 N ATOM 546 CE2 TRP A 37 -4.151 -1.075 -0.740 1.00 75.13 C ATOM 547 CE3 TRP A 37 -3.653 -2.799 -2.357 1.00 45.55 C ATOM 548 CZ2 TRP A 37 -2.986 -0.381 -1.053 1.00 50.40 C ATOM 549 CZ3 TRP A 37 -2.496 -2.108 -2.667 1.00 30.23 C ATOM 550 CH2 TRP A 37 -2.171 -0.910 -2.016 1.00 72.33 C ATOM 0 H TRP A 37 -8.597 -3.136 -2.259 1.00 60.31 H new ATOM 0 HA TRP A 37 -5.947 -3.621 -3.222 1.00 11.22 H new ATOM 0 HB2 TRP A 37 -7.476 -3.930 -0.653 1.00 61.20 H new ATOM 0 HB3 TRP A 37 -5.976 -4.820 -0.823 1.00 61.20 H new ATOM 0 HD1 TRP A 37 -6.982 -1.803 0.727 1.00 31.24 H new ATOM 0 HE1 TRP A 37 -5.157 0.030 0.778 1.00 30.04 H new ATOM 0 HE3 TRP A 37 -3.895 -3.722 -2.863 1.00 45.55 H new ATOM 0 HZ2 TRP A 37 -2.734 0.543 -0.553 1.00 50.40 H new ATOM 0 HZ3 TRP A 37 -1.831 -2.498 -3.424 1.00 30.23 H new ATOM 0 HH2 TRP A 37 -1.259 -0.394 -2.280 1.00 72.33 H new ATOM 561 N ARG A 38 -5.731 -6.077 -3.579 1.00 62.21 N ATOM 562 CA ARG A 38 -5.665 -7.475 -3.987 1.00 62.05 C ATOM 563 C ARG A 38 -4.318 -8.088 -3.615 1.00 54.05 C ATOM 564 O ARG A 38 -3.265 -7.578 -4.000 1.00 15.43 O ATOM 565 CB ARG A 38 -5.894 -7.599 -5.496 1.00 25.34 C ATOM 566 CG ARG A 38 -6.985 -8.590 -5.867 1.00 3.34 C ATOM 567 CD ARG A 38 -8.360 -7.942 -5.834 1.00 12.23 C ATOM 568 NE ARG A 38 -9.405 -8.853 -6.294 1.00 14.12 N ATOM 569 CZ ARG A 38 -10.676 -8.496 -6.446 1.00 43.21 C ATOM 570 NH1 ARG A 38 -11.056 -7.255 -6.177 1.00 31.53 N ATOM 571 NH2 ARG A 38 -11.569 -9.381 -6.870 1.00 24.31 N ATOM 0 H ARG A 38 -4.868 -5.553 -3.725 1.00 62.21 H new ATOM 0 HA ARG A 38 -6.450 -8.018 -3.460 1.00 62.05 H new ATOM 0 HB2 ARG A 38 -6.153 -6.619 -5.897 1.00 25.34 H new ATOM 0 HB3 ARG A 38 -4.962 -7.902 -5.973 1.00 25.34 H new ATOM 0 HG2 ARG A 38 -6.793 -8.988 -6.863 1.00 3.34 H new ATOM 0 HG3 ARG A 38 -6.962 -9.433 -5.177 1.00 3.34 H new ATOM 0 HD2 ARG A 38 -8.584 -7.617 -4.818 1.00 12.23 H new ATOM 0 HD3 ARG A 38 -8.355 -7.050 -6.460 1.00 12.23 H new ATOM 0 HE ARG A 38 -9.145 -9.815 -6.510 1.00 14.12 H new ATOM 0 HH11 ARG A 38 -10.372 -6.571 -5.852 1.00 31.53 H new ATOM 0 HH12 ARG A 38 -12.032 -6.984 -6.295 1.00 31.53 H new ATOM 0 HH21 ARG A 38 -11.280 -10.337 -7.080 1.00 24.31 H new ATOM 0 HH22 ARG A 38 -12.544 -9.106 -6.986 1.00 24.31 H new ATOM 585 N ARG A 39 -4.359 -9.183 -2.863 1.00 15.11 N ATOM 586 CA ARG A 39 -3.142 -9.863 -2.437 1.00 3.25 C ATOM 587 C ARG A 39 -2.677 -10.859 -3.495 1.00 72.42 C ATOM 588 O ARG A 39 -3.421 -11.761 -3.881 1.00 22.34 O ATOM 589 CB ARG A 39 -3.374 -10.585 -1.109 1.00 32.54 C ATOM 590 CG ARG A 39 -2.091 -10.954 -0.383 1.00 30.32 C ATOM 591 CD ARG A 39 -2.220 -12.289 0.334 1.00 70.24 C ATOM 592 NE ARG A 39 -1.313 -12.389 1.473 1.00 40.11 N ATOM 593 CZ ARG A 39 -1.190 -13.479 2.222 1.00 40.44 C ATOM 594 NH1 ARG A 39 -1.913 -14.557 1.952 1.00 22.23 N ATOM 595 NH2 ARG A 39 -0.342 -13.493 3.242 1.00 13.32 N ATOM 0 H ARG A 39 -5.222 -9.618 -2.536 1.00 15.11 H new ATOM 0 HA ARG A 39 -2.364 -9.112 -2.303 1.00 3.25 H new ATOM 0 HB2 ARG A 39 -3.978 -9.950 -0.461 1.00 32.54 H new ATOM 0 HB3 ARG A 39 -3.950 -11.492 -1.294 1.00 32.54 H new ATOM 0 HG2 ARG A 39 -1.269 -11.001 -1.097 1.00 30.32 H new ATOM 0 HG3 ARG A 39 -1.843 -10.175 0.338 1.00 30.32 H new ATOM 0 HD2 ARG A 39 -3.247 -12.419 0.676 1.00 70.24 H new ATOM 0 HD3 ARG A 39 -2.013 -13.098 -0.366 1.00 70.24 H new ATOM 0 HE ARG A 39 -0.742 -11.577 1.707 1.00 40.11 H new ATOM 0 HH11 ARG A 39 -2.565 -14.550 1.168 1.00 22.23 H new ATOM 0 HH12 ARG A 39 -1.817 -15.393 2.528 1.00 22.23 H new ATOM 0 HH21 ARG A 39 0.217 -12.666 3.452 1.00 13.32 H new ATOM 0 HH22 ARG A 39 -0.249 -14.331 3.816 1.00 13.32 H new ATOM 609 N ILE A 40 -1.444 -10.688 -3.959 1.00 71.13 N ATOM 610 CA ILE A 40 -0.880 -11.572 -4.972 1.00 33.54 C ATOM 611 C ILE A 40 0.479 -12.110 -4.538 1.00 22.13 C ATOM 612 O ILE A 40 1.201 -11.486 -3.760 1.00 12.23 O ATOM 613 CB ILE A 40 -0.727 -10.854 -6.326 1.00 35.13 C ATOM 614 CG1 ILE A 40 0.446 -9.873 -6.277 1.00 1.30 C ATOM 615 CG2 ILE A 40 -2.015 -10.130 -6.689 1.00 12.53 C ATOM 616 CD1 ILE A 40 0.587 -9.036 -7.529 1.00 22.21 C ATOM 0 H ILE A 40 -0.816 -9.946 -3.650 1.00 71.13 H new ATOM 0 HA ILE A 40 -1.577 -12.402 -5.088 1.00 33.54 H new ATOM 0 HB ILE A 40 -0.522 -11.599 -7.095 1.00 35.13 H new ATOM 0 HG12 ILE A 40 0.320 -9.212 -5.420 1.00 1.30 H new ATOM 0 HG13 ILE A 40 1.369 -10.431 -6.117 1.00 1.30 H new ATOM 0 HG21 ILE A 40 -1.892 -9.627 -7.648 1.00 12.53 H new ATOM 0 HG22 ILE A 40 -2.830 -10.850 -6.759 1.00 12.53 H new ATOM 0 HG23 ILE A 40 -2.247 -9.393 -5.920 1.00 12.53 H new ATOM 0 HD11 ILE A 40 1.439 -8.364 -7.423 1.00 22.21 H new ATOM 0 HD12 ILE A 40 0.744 -9.689 -8.387 1.00 22.21 H new ATOM 0 HD13 ILE A 40 -0.320 -8.451 -7.680 1.00 22.21 H new ATOM 628 N PRO A 41 0.838 -13.295 -5.053 1.00 3.53 N ATOM 629 CA PRO A 41 2.115 -13.942 -4.735 1.00 13.31 C ATOM 630 C PRO A 41 3.305 -13.207 -5.341 1.00 14.55 C ATOM 631 O PRO A 41 3.169 -12.508 -6.345 1.00 32.12 O ATOM 632 CB PRO A 41 1.973 -15.332 -5.357 1.00 62.34 C ATOM 633 CG PRO A 41 0.983 -15.157 -6.456 1.00 12.34 C ATOM 634 CD PRO A 41 0.028 -14.094 -5.987 1.00 33.23 C ATOM 0 HA PRO A 41 2.307 -13.957 -3.662 1.00 13.31 H new ATOM 0 HB2 PRO A 41 2.928 -15.694 -5.738 1.00 62.34 H new ATOM 0 HB3 PRO A 41 1.626 -16.060 -4.624 1.00 62.34 H new ATOM 0 HG2 PRO A 41 1.476 -14.858 -7.381 1.00 12.34 H new ATOM 0 HG3 PRO A 41 0.458 -16.090 -6.661 1.00 12.34 H new ATOM 0 HD2 PRO A 41 -0.341 -13.491 -6.817 1.00 33.23 H new ATOM 0 HD3 PRO A 41 -0.844 -14.526 -5.495 1.00 33.23 H new ATOM 642 N ALA A 42 4.472 -13.368 -4.725 1.00 32.12 N ATOM 643 CA ALA A 42 5.686 -12.720 -5.206 1.00 24.41 C ATOM 644 C ALA A 42 6.096 -13.267 -6.570 1.00 35.53 C ATOM 645 O ALA A 42 6.947 -12.693 -7.248 1.00 70.01 O ATOM 646 CB ALA A 42 6.814 -12.902 -4.201 1.00 73.12 C ATOM 0 H ALA A 42 4.602 -13.942 -3.892 1.00 32.12 H new ATOM 0 HA ALA A 42 5.481 -11.655 -5.317 1.00 24.41 H new ATOM 0 HB1 ALA A 42 7.715 -12.413 -4.573 1.00 73.12 H new ATOM 0 HB2 ALA A 42 6.527 -12.458 -3.248 1.00 73.12 H new ATOM 0 HB3 ALA A 42 7.009 -13.965 -4.062 1.00 73.12 H new ATOM 652 N SER A 43 5.485 -14.380 -6.964 1.00 3.13 N ATOM 653 CA SER A 43 5.790 -15.006 -8.245 1.00 20.50 C ATOM 654 C SER A 43 5.129 -14.248 -9.392 1.00 34.22 C ATOM 655 O SER A 43 5.705 -14.104 -10.470 1.00 71.22 O ATOM 656 CB SER A 43 5.326 -16.464 -8.247 1.00 41.11 C ATOM 657 OG SER A 43 6.310 -17.312 -8.816 1.00 35.25 O ATOM 0 H SER A 43 4.776 -14.866 -6.415 1.00 3.13 H new ATOM 0 HA SER A 43 6.870 -14.976 -8.388 1.00 20.50 H new ATOM 0 HB2 SER A 43 5.113 -16.783 -7.227 1.00 41.11 H new ATOM 0 HB3 SER A 43 4.396 -16.552 -8.809 1.00 41.11 H new ATOM 0 HG SER A 43 5.990 -18.238 -8.804 1.00 35.25 H new ATOM 663 N VAL A 44 3.914 -13.766 -9.150 1.00 54.31 N ATOM 664 CA VAL A 44 3.172 -13.021 -10.161 1.00 52.00 C ATOM 665 C VAL A 44 3.424 -11.523 -10.035 1.00 1.32 C ATOM 666 O VAL A 44 3.359 -10.786 -11.020 1.00 34.04 O ATOM 667 CB VAL A 44 1.659 -13.286 -10.056 1.00 74.31 C ATOM 668 CG1 VAL A 44 1.080 -12.604 -8.826 1.00 45.33 C ATOM 669 CG2 VAL A 44 0.948 -12.821 -11.319 1.00 31.43 C ATOM 0 H VAL A 44 3.423 -13.878 -8.263 1.00 54.31 H new ATOM 0 HA VAL A 44 3.527 -13.366 -11.132 1.00 52.00 H new ATOM 0 HB VAL A 44 1.503 -14.360 -9.953 1.00 74.31 H new ATOM 0 HG11 VAL A 44 0.010 -12.803 -8.769 1.00 45.33 H new ATOM 0 HG12 VAL A 44 1.569 -12.991 -7.932 1.00 45.33 H new ATOM 0 HG13 VAL A 44 1.246 -11.529 -8.894 1.00 45.33 H new ATOM 0 HG21 VAL A 44 -0.121 -13.016 -11.228 1.00 31.43 H new ATOM 0 HG22 VAL A 44 1.112 -11.752 -11.456 1.00 31.43 H new ATOM 0 HG23 VAL A 44 1.343 -13.362 -12.179 1.00 31.43 H new ATOM 679 N VAL A 45 3.713 -11.077 -8.817 1.00 43.21 N ATOM 680 CA VAL A 45 3.977 -9.666 -8.562 1.00 23.34 C ATOM 681 C VAL A 45 5.088 -9.143 -9.464 1.00 52.40 C ATOM 682 O VAL A 45 5.153 -7.950 -9.758 1.00 53.51 O ATOM 683 CB VAL A 45 4.369 -9.426 -7.091 1.00 52.11 C ATOM 684 CG1 VAL A 45 5.856 -9.674 -6.887 1.00 40.53 C ATOM 685 CG2 VAL A 45 3.991 -8.016 -6.663 1.00 51.34 C ATOM 0 H VAL A 45 3.770 -11.673 -7.991 1.00 43.21 H new ATOM 0 HA VAL A 45 3.054 -9.127 -8.778 1.00 23.34 H new ATOM 0 HB VAL A 45 3.819 -10.130 -6.467 1.00 52.11 H new ATOM 0 HG11 VAL A 45 6.114 -9.500 -5.842 1.00 40.53 H new ATOM 0 HG12 VAL A 45 6.093 -10.704 -7.152 1.00 40.53 H new ATOM 0 HG13 VAL A 45 6.428 -8.996 -7.520 1.00 40.53 H new ATOM 0 HG21 VAL A 45 4.275 -7.863 -5.622 1.00 51.34 H new ATOM 0 HG22 VAL A 45 4.512 -7.293 -7.291 1.00 51.34 H new ATOM 0 HG23 VAL A 45 2.915 -7.880 -6.769 1.00 51.34 H new ATOM 695 N GLY A 46 5.962 -10.044 -9.902 1.00 21.35 N ATOM 696 CA GLY A 46 7.059 -9.654 -10.768 1.00 1.34 C ATOM 697 C GLY A 46 6.787 -9.967 -12.225 1.00 55.22 C ATOM 698 O GLY A 46 7.714 -10.086 -13.026 1.00 44.41 O ATOM 0 H GLY A 46 5.930 -11.037 -9.672 1.00 21.35 H new ATOM 0 HA2 GLY A 46 7.243 -8.585 -10.657 1.00 1.34 H new ATOM 0 HA3 GLY A 46 7.967 -10.168 -10.453 1.00 1.34 H new ATOM 702 N SER A 47 5.510 -10.100 -12.572 1.00 64.52 N ATOM 703 CA SER A 47 5.118 -10.407 -13.943 1.00 64.01 C ATOM 704 C SER A 47 3.959 -9.522 -14.387 1.00 11.54 C ATOM 705 O SER A 47 3.924 -9.049 -15.524 1.00 2.23 O ATOM 706 CB SER A 47 4.727 -11.881 -14.066 1.00 34.35 C ATOM 707 OG SER A 47 5.547 -12.698 -13.249 1.00 42.33 O ATOM 0 H SER A 47 4.730 -10.000 -11.923 1.00 64.52 H new ATOM 0 HA SER A 47 5.971 -10.210 -14.592 1.00 64.01 H new ATOM 0 HB2 SER A 47 3.683 -12.008 -13.780 1.00 34.35 H new ATOM 0 HB3 SER A 47 4.814 -12.198 -15.105 1.00 34.35 H new ATOM 0 HG SER A 47 5.275 -13.635 -13.345 1.00 42.33 H new ATOM 713 N ILE A 48 3.012 -9.300 -13.482 1.00 32.34 N ATOM 714 CA ILE A 48 1.850 -8.470 -13.779 1.00 20.22 C ATOM 715 C ILE A 48 2.257 -7.021 -14.020 1.00 4.30 C ATOM 716 O ILE A 48 1.549 -6.269 -14.689 1.00 0.03 O ATOM 717 CB ILE A 48 0.817 -8.519 -12.638 1.00 72.42 C ATOM 718 CG1 ILE A 48 1.456 -8.074 -11.322 1.00 5.52 C ATOM 719 CG2 ILE A 48 0.240 -9.921 -12.506 1.00 14.10 C ATOM 720 CD1 ILE A 48 0.974 -6.723 -10.842 1.00 42.02 C ATOM 0 H ILE A 48 3.026 -9.683 -12.537 1.00 32.34 H new ATOM 0 HA ILE A 48 1.397 -8.873 -14.685 1.00 20.22 H new ATOM 0 HB ILE A 48 0.004 -7.833 -12.875 1.00 72.42 H new ATOM 0 HG12 ILE A 48 1.245 -8.819 -10.555 1.00 5.52 H new ATOM 0 HG13 ILE A 48 2.538 -8.041 -11.446 1.00 5.52 H new ATOM 0 HG21 ILE A 48 -0.489 -9.940 -11.695 1.00 14.10 H new ATOM 0 HG22 ILE A 48 -0.248 -10.203 -13.439 1.00 14.10 H new ATOM 0 HG23 ILE A 48 1.043 -10.626 -12.289 1.00 14.10 H new ATOM 0 HD11 ILE A 48 1.469 -6.472 -9.904 1.00 42.02 H new ATOM 0 HD12 ILE A 48 1.209 -5.966 -11.590 1.00 42.02 H new ATOM 0 HD13 ILE A 48 -0.104 -6.756 -10.685 1.00 42.02 H new ATOM 805 N TRP A 54 -2.586 -2.156 -12.816 1.00 31.44 N ATOM 806 CA TRP A 54 -3.048 -3.518 -12.568 1.00 45.32 C ATOM 807 C TRP A 54 -4.551 -3.545 -12.314 1.00 63.35 C ATOM 808 O TRP A 54 -5.111 -2.608 -11.747 1.00 13.44 O ATOM 809 CB TRP A 54 -2.306 -4.121 -11.375 1.00 43.33 C ATOM 810 CG TRP A 54 -2.820 -5.472 -10.977 1.00 3.32 C ATOM 811 CD1 TRP A 54 -2.281 -6.683 -11.305 1.00 1.30 C ATOM 812 CD2 TRP A 54 -3.975 -5.747 -10.177 1.00 64.35 C ATOM 813 NE1 TRP A 54 -3.033 -7.695 -10.758 1.00 4.31 N ATOM 814 CE2 TRP A 54 -4.076 -7.147 -10.060 1.00 24.32 C ATOM 815 CE3 TRP A 54 -4.932 -4.948 -9.546 1.00 40.54 C ATOM 816 CZ2 TRP A 54 -5.097 -7.761 -9.340 1.00 23.11 C ATOM 817 CZ3 TRP A 54 -5.944 -5.559 -8.833 1.00 33.54 C ATOM 818 CH2 TRP A 54 -6.021 -6.954 -8.733 1.00 62.04 C ATOM 0 HA TRP A 54 -2.838 -4.114 -13.456 1.00 45.32 H new ATOM 0 HB2 TRP A 54 -1.246 -4.200 -11.618 1.00 43.33 H new ATOM 0 HB3 TRP A 54 -2.388 -3.444 -10.525 1.00 43.33 H new ATOM 0 HD1 TRP A 54 -1.395 -6.825 -11.906 1.00 1.30 H new ATOM 0 HE1 TRP A 54 -2.845 -8.693 -10.856 1.00 4.31 H new ATOM 0 HE3 TRP A 54 -4.881 -3.871 -9.615 1.00 40.54 H new ATOM 0 HZ2 TRP A 54 -5.158 -8.837 -9.263 1.00 23.11 H new ATOM 0 HZ3 TRP A 54 -6.690 -4.950 -8.343 1.00 33.54 H new ATOM 0 HH2 TRP A 54 -6.824 -7.401 -8.166 1.00 62.04 H new ATOM 829 N ILE A 55 -5.199 -4.626 -12.738 1.00 41.44 N ATOM 830 CA ILE A 55 -6.636 -4.776 -12.555 1.00 12.33 C ATOM 831 C ILE A 55 -6.983 -6.166 -12.036 1.00 21.23 C ATOM 832 O ILE A 55 -6.158 -7.079 -12.075 1.00 23.03 O ATOM 833 CB ILE A 55 -7.401 -4.524 -13.867 1.00 40.45 C ATOM 834 CG1 ILE A 55 -6.687 -5.206 -15.037 1.00 24.03 C ATOM 835 CG2 ILE A 55 -7.539 -3.031 -14.123 1.00 31.15 C ATOM 836 CD1 ILE A 55 -7.328 -4.932 -16.379 1.00 33.10 C ATOM 0 H ILE A 55 -4.750 -5.410 -13.211 1.00 41.44 H new ATOM 0 HA ILE A 55 -6.939 -4.031 -11.819 1.00 12.33 H new ATOM 0 HB ILE A 55 -8.400 -4.950 -13.775 1.00 40.45 H new ATOM 0 HG12 ILE A 55 -5.650 -4.871 -15.064 1.00 24.03 H new ATOM 0 HG13 ILE A 55 -6.670 -6.282 -14.864 1.00 24.03 H new ATOM 0 HG21 ILE A 55 -8.082 -2.870 -15.054 1.00 31.15 H new ATOM 0 HG22 ILE A 55 -8.085 -2.570 -13.300 1.00 31.15 H new ATOM 0 HG23 ILE A 55 -6.549 -2.582 -14.198 1.00 31.15 H new ATOM 0 HD11 ILE A 55 -6.769 -5.447 -17.161 1.00 33.10 H new ATOM 0 HD12 ILE A 55 -8.357 -5.292 -16.371 1.00 33.10 H new ATOM 0 HD13 ILE A 55 -7.320 -3.860 -16.574 1.00 33.10 H new ATOM 848 N CYS A 56 -8.211 -6.322 -11.552 1.00 31.42 N ATOM 849 CA CYS A 56 -8.669 -7.603 -11.026 1.00 72.04 C ATOM 850 C CYS A 56 -8.540 -8.701 -12.078 1.00 14.22 C ATOM 851 O CYS A 56 -7.975 -9.762 -11.816 1.00 52.44 O ATOM 852 CB CYS A 56 -10.123 -7.496 -10.560 1.00 44.42 C ATOM 853 SG CYS A 56 -10.427 -6.142 -9.379 1.00 63.23 S ATOM 0 H CYS A 56 -8.907 -5.577 -11.513 1.00 31.42 H new ATOM 0 HA CYS A 56 -8.040 -7.864 -10.175 1.00 72.04 H new ATOM 0 HB2 CYS A 56 -10.763 -7.355 -11.431 1.00 44.42 H new ATOM 0 HB3 CYS A 56 -10.416 -8.439 -10.099 1.00 44.42 H new ATOM 0 HG CYS A 56 -11.252 -5.285 -9.904 1.00 63.23 H new ATOM 858 N MET A 57 -9.068 -8.436 -13.269 1.00 13.03 N ATOM 859 CA MET A 57 -9.011 -9.400 -14.361 1.00 33.50 C ATOM 860 C MET A 57 -7.566 -9.751 -14.702 1.00 11.55 C ATOM 861 O MET A 57 -7.295 -10.788 -15.306 1.00 53.23 O ATOM 862 CB MET A 57 -9.718 -8.845 -15.598 1.00 53.15 C ATOM 863 CG MET A 57 -9.182 -7.496 -16.051 1.00 11.21 C ATOM 864 SD MET A 57 -10.493 -6.313 -16.413 1.00 54.32 S ATOM 865 CE MET A 57 -10.993 -5.843 -14.758 1.00 65.21 C ATOM 0 H MET A 57 -9.540 -7.562 -13.502 1.00 13.03 H new ATOM 0 HA MET A 57 -9.520 -10.308 -14.037 1.00 33.50 H new ATOM 0 HB2 MET A 57 -9.617 -9.560 -16.415 1.00 53.15 H new ATOM 0 HB3 MET A 57 -10.783 -8.751 -15.386 1.00 53.15 H new ATOM 0 HG2 MET A 57 -8.534 -7.088 -15.275 1.00 11.21 H new ATOM 0 HG3 MET A 57 -8.567 -7.634 -16.940 1.00 11.21 H new ATOM 0 HE1 MET A 57 -11.394 -4.830 -14.773 1.00 65.21 H new ATOM 0 HE2 MET A 57 -11.759 -6.531 -14.400 1.00 65.21 H new ATOM 0 HE3 MET A 57 -10.131 -5.882 -14.092 1.00 65.21 H new ATOM 875 N ASN A 58 -6.642 -8.879 -14.310 1.00 31.45 N ATOM 876 CA ASN A 58 -5.225 -9.097 -14.574 1.00 52.21 C ATOM 877 C ASN A 58 -4.597 -9.968 -13.492 1.00 23.52 C ATOM 878 O ASN A 58 -3.456 -10.411 -13.621 1.00 44.01 O ATOM 879 CB ASN A 58 -4.489 -7.758 -14.658 1.00 64.24 C ATOM 880 CG ASN A 58 -4.370 -7.252 -16.082 1.00 44.24 C ATOM 881 OD1 ASN A 58 -3.309 -6.787 -16.501 1.00 64.44 O ATOM 882 ND2 ASN A 58 -5.461 -7.339 -16.834 1.00 41.01 N ATOM 0 H ASN A 58 -6.850 -8.015 -13.809 1.00 31.45 H new ATOM 0 HA ASN A 58 -5.135 -9.615 -15.529 1.00 52.21 H new ATOM 0 HB2 ASN A 58 -5.016 -7.018 -14.055 1.00 64.24 H new ATOM 0 HB3 ASN A 58 -3.493 -7.867 -14.230 1.00 64.24 H new ATOM 0 HD21 ASN A 58 -5.442 -7.013 -17.800 1.00 41.01 H new ATOM 0 HD22 ASN A 58 -6.318 -7.731 -16.445 1.00 41.01 H new ATOM 889 N ASN A 59 -5.351 -10.212 -12.424 1.00 43.02 N ATOM 890 CA ASN A 59 -4.868 -11.031 -11.318 1.00 43.35 C ATOM 891 C ASN A 59 -4.448 -12.414 -11.808 1.00 44.40 C ATOM 892 O ASN A 59 -4.902 -12.878 -12.854 1.00 21.44 O ATOM 893 CB ASN A 59 -5.951 -11.165 -10.246 1.00 25.20 C ATOM 894 CG ASN A 59 -5.393 -11.637 -8.917 1.00 42.12 C ATOM 895 OD1 ASN A 59 -4.177 -11.708 -8.731 1.00 32.02 O ATOM 896 ND2 ASN A 59 -6.280 -11.963 -7.984 1.00 73.33 N ATOM 0 H ASN A 59 -6.298 -9.854 -12.302 1.00 43.02 H new ATOM 0 HA ASN A 59 -3.997 -10.538 -10.886 1.00 43.35 H new ATOM 0 HB2 ASN A 59 -6.444 -10.203 -10.109 1.00 25.20 H new ATOM 0 HB3 ASN A 59 -6.712 -11.867 -10.588 1.00 25.20 H new ATOM 0 HD21 ASN A 59 -5.963 -12.287 -7.070 1.00 73.33 H new ATOM 0 HD22 ASN A 59 -7.278 -11.889 -8.181 1.00 73.33 H new ATOM 903 N SER A 60 -3.576 -13.066 -11.046 1.00 24.45 N ATOM 904 CA SER A 60 -3.091 -14.394 -11.403 1.00 74.02 C ATOM 905 C SER A 60 -4.127 -15.461 -11.063 1.00 32.13 C ATOM 906 O SER A 60 -4.159 -16.528 -11.675 1.00 34.21 O ATOM 907 CB SER A 60 -1.778 -14.693 -10.677 1.00 55.21 C ATOM 908 OG SER A 60 -0.894 -15.429 -11.505 1.00 43.22 O ATOM 0 H SER A 60 -3.191 -12.696 -10.177 1.00 24.45 H new ATOM 0 HA SER A 60 -2.916 -14.412 -12.479 1.00 74.02 H new ATOM 0 HB2 SER A 60 -1.305 -13.759 -10.375 1.00 55.21 H new ATOM 0 HB3 SER A 60 -1.982 -15.256 -9.766 1.00 55.21 H new ATOM 0 HG SER A 60 -0.062 -15.606 -11.019 1.00 43.22 H new ATOM 914 N ASP A 61 -4.973 -15.163 -10.083 1.00 51.13 N ATOM 915 CA ASP A 61 -6.013 -16.095 -9.660 1.00 50.21 C ATOM 916 C ASP A 61 -7.061 -16.272 -10.755 1.00 15.04 C ATOM 917 O ASP A 61 -6.906 -15.765 -11.865 1.00 53.44 O ATOM 918 CB ASP A 61 -6.677 -15.602 -8.374 1.00 34.40 C ATOM 919 CG ASP A 61 -6.921 -16.723 -7.383 1.00 13.24 C ATOM 920 OD1 ASP A 61 -5.948 -17.167 -6.738 1.00 70.33 O ATOM 921 OD2 ASP A 61 -8.086 -17.154 -7.250 1.00 1.31 O ATOM 0 H ASP A 61 -4.959 -14.284 -9.566 1.00 51.13 H new ATOM 0 HA ASP A 61 -5.546 -17.061 -9.470 1.00 50.21 H new ATOM 0 HB2 ASP A 61 -6.047 -14.842 -7.911 1.00 34.40 H new ATOM 0 HB3 ASP A 61 -7.626 -15.124 -8.618 1.00 34.40 H new ATOM 926 N LYS A 62 -8.128 -16.996 -10.433 1.00 54.41 N ATOM 927 CA LYS A 62 -9.203 -17.240 -11.387 1.00 32.24 C ATOM 928 C LYS A 62 -10.557 -16.877 -10.786 1.00 54.43 C ATOM 929 O LYS A 62 -11.430 -16.345 -11.473 1.00 41.40 O ATOM 930 CB LYS A 62 -9.204 -18.707 -11.821 1.00 40.41 C ATOM 931 CG LYS A 62 -9.034 -19.682 -10.670 1.00 20.12 C ATOM 932 CD LYS A 62 -7.703 -20.414 -10.749 1.00 14.03 C ATOM 933 CE LYS A 62 -7.147 -20.710 -9.365 1.00 14.41 C ATOM 934 NZ LYS A 62 -5.979 -21.632 -9.423 1.00 73.43 N ATOM 0 H LYS A 62 -8.271 -17.424 -9.518 1.00 54.41 H new ATOM 0 HA LYS A 62 -9.031 -16.609 -12.259 1.00 32.24 H new ATOM 0 HB2 LYS A 62 -10.140 -18.924 -12.335 1.00 40.41 H new ATOM 0 HB3 LYS A 62 -8.401 -18.865 -12.541 1.00 40.41 H new ATOM 0 HG2 LYS A 62 -9.099 -19.144 -9.724 1.00 20.12 H new ATOM 0 HG3 LYS A 62 -9.849 -20.405 -10.682 1.00 20.12 H new ATOM 0 HD2 LYS A 62 -7.832 -21.347 -11.298 1.00 14.03 H new ATOM 0 HD3 LYS A 62 -6.988 -19.811 -11.308 1.00 14.03 H new ATOM 0 HE2 LYS A 62 -6.850 -19.777 -8.886 1.00 14.41 H new ATOM 0 HE3 LYS A 62 -7.928 -21.152 -8.746 1.00 14.41 H new ATOM 0 HZ1 LYS A 62 -5.629 -21.809 -8.460 1.00 73.43 H new ATOM 0 HZ2 LYS A 62 -6.268 -22.532 -9.857 1.00 73.43 H new ATOM 0 HZ3 LYS A 62 -5.223 -21.200 -9.992 1.00 73.43 H new ATOM 948 N ARG A 63 -10.725 -17.165 -9.500 1.00 21.14 N ATOM 949 CA ARG A 63 -11.973 -16.868 -8.806 1.00 42.15 C ATOM 950 C ARG A 63 -11.976 -15.436 -8.281 1.00 1.50 C ATOM 951 O ARG A 63 -13.033 -14.857 -8.032 1.00 4.24 O ATOM 952 CB ARG A 63 -12.184 -17.848 -7.650 1.00 73.22 C ATOM 953 CG ARG A 63 -13.040 -19.049 -8.019 1.00 44.23 C ATOM 954 CD ARG A 63 -12.194 -20.186 -8.573 1.00 55.54 C ATOM 955 NE ARG A 63 -12.244 -21.370 -7.723 1.00 62.31 N ATOM 956 CZ ARG A 63 -13.292 -22.186 -7.659 1.00 5.14 C ATOM 957 NH1 ARG A 63 -14.369 -21.945 -8.393 1.00 21.32 N ATOM 958 NH2 ARG A 63 -13.262 -23.245 -6.860 1.00 44.00 N ATOM 0 H ARG A 63 -10.013 -17.604 -8.917 1.00 21.14 H new ATOM 0 HA ARG A 63 -12.791 -16.976 -9.519 1.00 42.15 H new ATOM 0 HB2 ARG A 63 -11.213 -18.198 -7.300 1.00 73.22 H new ATOM 0 HB3 ARG A 63 -12.652 -17.321 -6.818 1.00 73.22 H new ATOM 0 HG2 ARG A 63 -13.584 -19.394 -7.140 1.00 44.23 H new ATOM 0 HG3 ARG A 63 -13.784 -18.754 -8.759 1.00 44.23 H new ATOM 0 HD2 ARG A 63 -12.543 -20.443 -9.573 1.00 55.54 H new ATOM 0 HD3 ARG A 63 -11.160 -19.854 -8.671 1.00 55.54 H new ATOM 0 HE ARG A 63 -11.431 -21.584 -7.146 1.00 62.31 H new ATOM 0 HH11 ARG A 63 -14.395 -21.132 -9.009 1.00 21.32 H new ATOM 0 HH12 ARG A 63 -15.172 -22.572 -8.342 1.00 21.32 H new ATOM 0 HH21 ARG A 63 -12.435 -23.434 -6.294 1.00 44.00 H new ATOM 0 HH22 ARG A 63 -14.066 -23.870 -6.812 1.00 44.00 H new ATOM 972 N PHE A 64 -10.784 -14.871 -8.113 1.00 53.25 N ATOM 973 CA PHE A 64 -10.649 -13.507 -7.616 1.00 43.42 C ATOM 974 C PHE A 64 -9.974 -12.614 -8.653 1.00 43.32 C ATOM 975 O PHE A 64 -9.396 -11.580 -8.316 1.00 21.42 O ATOM 976 CB PHE A 64 -9.844 -13.494 -6.314 1.00 34.23 C ATOM 977 CG PHE A 64 -10.643 -13.910 -5.111 1.00 41.34 C ATOM 978 CD1 PHE A 64 -11.125 -15.204 -4.997 1.00 51.32 C ATOM 979 CD2 PHE A 64 -10.911 -13.007 -4.096 1.00 55.11 C ATOM 980 CE1 PHE A 64 -11.860 -15.588 -3.892 1.00 73.35 C ATOM 981 CE2 PHE A 64 -11.646 -13.385 -2.988 1.00 71.31 C ATOM 982 CZ PHE A 64 -12.121 -14.678 -2.886 1.00 65.22 C ATOM 0 H PHE A 64 -9.899 -15.337 -8.314 1.00 53.25 H new ATOM 0 HA PHE A 64 -11.648 -13.117 -7.422 1.00 43.42 H new ATOM 0 HB2 PHE A 64 -8.987 -14.160 -6.419 1.00 34.23 H new ATOM 0 HB3 PHE A 64 -9.450 -12.491 -6.150 1.00 34.23 H new ATOM 0 HD1 PHE A 64 -10.924 -15.920 -5.780 1.00 51.32 H new ATOM 0 HD2 PHE A 64 -10.541 -11.995 -4.171 1.00 55.11 H new ATOM 0 HE1 PHE A 64 -12.230 -16.600 -3.815 1.00 73.35 H new ATOM 0 HE2 PHE A 64 -11.848 -12.671 -2.204 1.00 71.31 H new ATOM 0 HZ PHE A 64 -12.695 -14.977 -2.022 1.00 65.22 H new ATOM 992 N ALA A 65 -10.050 -13.022 -9.915 1.00 75.03 N ATOM 993 CA ALA A 65 -9.449 -12.259 -11.002 1.00 43.44 C ATOM 994 C ALA A 65 -10.517 -11.600 -11.868 1.00 12.24 C ATOM 995 O ALA A 65 -10.711 -11.975 -13.025 1.00 2.25 O ATOM 996 CB ALA A 65 -8.561 -13.159 -11.849 1.00 11.51 C ATOM 0 H ALA A 65 -10.522 -13.877 -10.210 1.00 75.03 H new ATOM 0 HA ALA A 65 -8.837 -11.470 -10.564 1.00 43.44 H new ATOM 0 HB1 ALA A 65 -8.118 -12.577 -12.657 1.00 11.51 H new ATOM 0 HB2 ALA A 65 -7.769 -13.578 -11.228 1.00 11.51 H new ATOM 0 HB3 ALA A 65 -9.158 -13.968 -12.270 1.00 11.51 H new ATOM 1002 N ASP A 66 -11.208 -10.618 -11.301 1.00 40.31 N ATOM 1003 CA ASP A 66 -12.258 -9.906 -12.021 1.00 44.30 C ATOM 1004 C ASP A 66 -12.866 -8.810 -11.152 1.00 14.13 C ATOM 1005 O ASP A 66 -13.018 -8.976 -9.941 1.00 50.44 O ATOM 1006 CB ASP A 66 -13.347 -10.881 -12.472 1.00 54.52 C ATOM 1007 CG ASP A 66 -13.243 -11.225 -13.944 1.00 40.54 C ATOM 1008 OD1 ASP A 66 -13.020 -10.302 -14.756 1.00 42.52 O ATOM 1009 OD2 ASP A 66 -13.383 -12.418 -14.287 1.00 34.04 O ATOM 0 H ASP A 66 -11.060 -10.296 -10.344 1.00 40.31 H new ATOM 0 HA ASP A 66 -11.811 -9.441 -12.900 1.00 44.30 H new ATOM 0 HB2 ASP A 66 -13.279 -11.795 -11.883 1.00 54.52 H new ATOM 0 HB3 ASP A 66 -14.326 -10.445 -12.272 1.00 54.52 H new ATOM 1014 N CYS A 67 -13.212 -7.690 -11.778 1.00 22.35 N ATOM 1015 CA CYS A 67 -13.803 -6.566 -11.063 1.00 12.23 C ATOM 1016 C CYS A 67 -15.162 -6.943 -10.482 1.00 32.12 C ATOM 1017 O CYS A 67 -15.621 -6.346 -9.508 1.00 54.50 O ATOM 1018 CB CYS A 67 -13.951 -5.361 -11.995 1.00 64.23 C ATOM 1019 SG CYS A 67 -12.522 -4.232 -11.984 1.00 40.14 S ATOM 0 H CYS A 67 -13.093 -7.537 -12.779 1.00 22.35 H new ATOM 0 HA CYS A 67 -13.137 -6.302 -10.241 1.00 12.23 H new ATOM 0 HB2 CYS A 67 -14.109 -5.719 -13.012 1.00 64.23 H new ATOM 0 HB3 CYS A 67 -14.843 -4.803 -11.711 1.00 64.23 H new ATOM 0 HG CYS A 67 -12.362 -3.746 -10.789 1.00 40.14 H new ATOM 1024 N SER A 68 -15.802 -7.940 -11.087 1.00 52.31 N ATOM 1025 CA SER A 68 -17.111 -8.395 -10.633 1.00 54.45 C ATOM 1026 C SER A 68 -16.997 -9.134 -9.303 1.00 41.01 C ATOM 1027 O SER A 68 -17.947 -9.178 -8.521 1.00 23.41 O ATOM 1028 CB SER A 68 -17.749 -9.306 -11.683 1.00 61.15 C ATOM 1029 OG SER A 68 -19.106 -8.962 -11.901 1.00 15.55 O ATOM 0 H SER A 68 -15.435 -8.447 -11.892 1.00 52.31 H new ATOM 0 HA SER A 68 -17.744 -7.519 -10.489 1.00 54.45 H new ATOM 0 HB2 SER A 68 -17.196 -9.229 -12.619 1.00 61.15 H new ATOM 0 HB3 SER A 68 -17.682 -10.344 -11.357 1.00 61.15 H new ATOM 0 HG SER A 68 -19.490 -9.558 -12.578 1.00 15.55 H new ATOM 1035 N LYS A 69 -15.828 -9.713 -9.054 1.00 50.13 N ATOM 1036 CA LYS A 69 -15.586 -10.450 -7.819 1.00 33.35 C ATOM 1037 C LYS A 69 -15.547 -9.507 -6.621 1.00 41.00 C ATOM 1038 O LYS A 69 -15.766 -8.303 -6.760 1.00 44.10 O ATOM 1039 CB LYS A 69 -14.272 -11.227 -7.913 1.00 64.41 C ATOM 1040 CG LYS A 69 -14.229 -12.212 -9.069 1.00 34.42 C ATOM 1041 CD LYS A 69 -15.320 -13.263 -8.947 1.00 73.13 C ATOM 1042 CE LYS A 69 -15.332 -14.195 -10.148 1.00 73.55 C ATOM 1043 NZ LYS A 69 -16.473 -13.909 -11.062 1.00 2.20 N ATOM 0 H LYS A 69 -15.032 -9.686 -9.691 1.00 50.13 H new ATOM 0 HA LYS A 69 -16.407 -11.153 -7.679 1.00 33.35 H new ATOM 0 HB2 LYS A 69 -13.449 -10.521 -8.018 1.00 64.41 H new ATOM 0 HB3 LYS A 69 -14.112 -11.767 -6.980 1.00 64.41 H new ATOM 0 HG2 LYS A 69 -14.344 -11.675 -10.010 1.00 34.42 H new ATOM 0 HG3 LYS A 69 -13.254 -12.699 -9.097 1.00 34.42 H new ATOM 0 HD2 LYS A 69 -15.168 -13.843 -8.037 1.00 73.13 H new ATOM 0 HD3 LYS A 69 -16.290 -12.774 -8.855 1.00 73.13 H new ATOM 0 HE2 LYS A 69 -14.395 -14.094 -10.695 1.00 73.55 H new ATOM 0 HE3 LYS A 69 -15.392 -15.228 -9.805 1.00 73.55 H new ATOM 0 HZ1 LYS A 69 -16.445 -14.566 -11.868 1.00 2.20 H new ATOM 0 HZ2 LYS A 69 -17.369 -14.030 -10.547 1.00 2.20 H new ATOM 0 HZ3 LYS A 69 -16.403 -12.931 -11.410 1.00 2.20 H new ATOM 1057 N SER A 70 -15.266 -10.061 -5.446 1.00 2.10 N ATOM 1058 CA SER A 70 -15.199 -9.268 -4.224 1.00 3.40 C ATOM 1059 C SER A 70 -13.756 -9.122 -3.748 1.00 73.32 C ATOM 1060 O SER A 70 -12.830 -9.630 -4.379 1.00 72.15 O ATOM 1061 CB SER A 70 -16.047 -9.914 -3.126 1.00 73.00 C ATOM 1062 OG SER A 70 -17.248 -10.447 -3.656 1.00 40.44 O ATOM 0 H SER A 70 -15.081 -11.055 -5.314 1.00 2.10 H new ATOM 0 HA SER A 70 -15.593 -8.275 -4.442 1.00 3.40 H new ATOM 0 HB2 SER A 70 -15.477 -10.706 -2.641 1.00 73.00 H new ATOM 0 HB3 SER A 70 -16.281 -9.174 -2.360 1.00 73.00 H new ATOM 0 HG SER A 70 -17.771 -10.855 -2.935 1.00 40.44 H new ATOM 1068 N GLN A 71 -13.575 -8.424 -2.632 1.00 35.25 N ATOM 1069 CA GLN A 71 -12.247 -8.210 -2.072 1.00 23.41 C ATOM 1070 C GLN A 71 -11.730 -9.476 -1.397 1.00 24.31 C ATOM 1071 O GLN A 71 -12.496 -10.400 -1.121 1.00 0.44 O ATOM 1072 CB GLN A 71 -12.272 -7.057 -1.068 1.00 20.52 C ATOM 1073 CG GLN A 71 -10.895 -6.505 -0.739 1.00 63.03 C ATOM 1074 CD GLN A 71 -10.950 -5.103 -0.165 1.00 41.14 C ATOM 1075 OE1 GLN A 71 -12.022 -4.509 -0.047 1.00 24.54 O ATOM 1076 NE2 GLN A 71 -9.790 -4.565 0.197 1.00 74.14 N ATOM 0 H GLN A 71 -14.332 -7.997 -2.098 1.00 35.25 H new ATOM 0 HA GLN A 71 -11.573 -7.955 -2.890 1.00 23.41 H new ATOM 0 HB2 GLN A 71 -12.891 -6.253 -1.467 1.00 20.52 H new ATOM 0 HB3 GLN A 71 -12.747 -7.398 -0.148 1.00 20.52 H new ATOM 0 HG2 GLN A 71 -10.404 -7.167 -0.026 1.00 63.03 H new ATOM 0 HG3 GLN A 71 -10.284 -6.500 -1.642 1.00 63.03 H new ATOM 0 HE21 GLN A 71 -8.925 -5.093 0.082 1.00 74.14 H new ATOM 0 HE22 GLN A 71 -9.765 -3.624 0.590 1.00 74.14 H new ATOM 1085 N GLU A 72 -10.427 -9.513 -1.134 1.00 54.32 N ATOM 1086 CA GLU A 72 -9.809 -10.667 -0.493 1.00 13.31 C ATOM 1087 C GLU A 72 -9.719 -10.466 1.017 1.00 14.10 C ATOM 1088 O GLU A 72 -9.909 -11.404 1.791 1.00 74.52 O ATOM 1089 CB GLU A 72 -8.414 -10.913 -1.069 1.00 51.23 C ATOM 1090 CG GLU A 72 -8.358 -10.828 -2.585 1.00 73.12 C ATOM 1091 CD GLU A 72 -7.508 -11.922 -3.200 1.00 60.14 C ATOM 1092 OE1 GLU A 72 -7.976 -13.080 -3.251 1.00 13.53 O ATOM 1093 OE2 GLU A 72 -6.375 -11.622 -3.631 1.00 64.00 O ATOM 0 H GLU A 72 -9.779 -8.757 -1.355 1.00 54.32 H new ATOM 0 HA GLU A 72 -10.434 -11.538 -0.691 1.00 13.31 H new ATOM 0 HB2 GLU A 72 -7.722 -10.184 -0.647 1.00 51.23 H new ATOM 0 HB3 GLU A 72 -8.069 -11.898 -0.756 1.00 51.23 H new ATOM 0 HG2 GLU A 72 -9.370 -10.890 -2.986 1.00 73.12 H new ATOM 0 HG3 GLU A 72 -7.959 -9.856 -2.876 1.00 73.12 H new ATOM 1100 N MET A 73 -9.427 -9.236 1.429 1.00 34.40 N ATOM 1101 CA MET A 73 -9.312 -8.912 2.846 1.00 62.31 C ATOM 1102 C MET A 73 -10.013 -7.595 3.161 1.00 73.54 C ATOM 1103 O MET A 73 -10.359 -6.833 2.257 1.00 72.44 O ATOM 1104 CB MET A 73 -7.841 -8.830 3.254 1.00 44.32 C ATOM 1105 CG MET A 73 -7.157 -10.185 3.343 1.00 73.00 C ATOM 1106 SD MET A 73 -5.994 -10.288 4.716 1.00 43.23 S ATOM 1107 CE MET A 73 -5.170 -8.704 4.581 1.00 12.51 C ATOM 0 H MET A 73 -9.266 -8.448 0.802 1.00 34.40 H new ATOM 0 HA MET A 73 -9.796 -9.706 3.415 1.00 62.31 H new ATOM 0 HB2 MET A 73 -7.307 -8.210 2.534 1.00 44.32 H new ATOM 0 HB3 MET A 73 -7.768 -8.331 4.221 1.00 44.32 H new ATOM 0 HG2 MET A 73 -7.913 -10.962 3.453 1.00 73.00 H new ATOM 0 HG3 MET A 73 -6.630 -10.383 2.410 1.00 73.00 H new ATOM 0 HE1 MET A 73 -4.094 -8.843 4.686 1.00 12.51 H new ATOM 0 HE2 MET A 73 -5.386 -8.263 3.608 1.00 12.51 H new ATOM 0 HE3 MET A 73 -5.528 -8.039 5.367 1.00 12.51 H new ATOM 1117 N SER A 74 -10.222 -7.333 4.447 1.00 52.15 N ATOM 1118 CA SER A 74 -10.887 -6.109 4.880 1.00 65.03 C ATOM 1119 C SER A 74 -9.902 -4.944 4.926 1.00 33.43 C ATOM 1120 O SER A 74 -8.704 -5.136 5.128 1.00 25.42 O ATOM 1121 CB SER A 74 -11.522 -6.309 6.257 1.00 35.33 C ATOM 1122 OG SER A 74 -10.748 -7.189 7.053 1.00 33.13 O ATOM 0 H SER A 74 -9.941 -7.952 5.208 1.00 52.15 H new ATOM 0 HA SER A 74 -11.669 -5.874 4.158 1.00 65.03 H new ATOM 0 HB2 SER A 74 -11.617 -5.347 6.760 1.00 35.33 H new ATOM 0 HB3 SER A 74 -12.529 -6.709 6.142 1.00 35.33 H new ATOM 0 HG SER A 74 -11.174 -7.299 7.929 1.00 33.13 H new ATOM 1128 N ASN A 75 -10.419 -3.734 4.737 1.00 51.53 N ATOM 1129 CA ASN A 75 -9.587 -2.537 4.756 1.00 43.42 C ATOM 1130 C ASN A 75 -8.737 -2.485 6.022 1.00 44.30 C ATOM 1131 O ASN A 75 -7.569 -2.097 5.982 1.00 60.11 O ATOM 1132 CB ASN A 75 -10.459 -1.282 4.663 1.00 44.04 C ATOM 1133 CG ASN A 75 -10.227 -0.512 3.378 1.00 62.55 C ATOM 1134 OD1 ASN A 75 -10.097 0.711 3.389 1.00 12.51 O ATOM 1135 ND2 ASN A 75 -10.175 -1.228 2.260 1.00 3.22 N ATOM 0 H ASN A 75 -11.409 -3.557 4.569 1.00 51.53 H new ATOM 0 HA ASN A 75 -8.922 -2.574 3.893 1.00 43.42 H new ATOM 0 HB2 ASN A 75 -11.509 -1.567 4.728 1.00 44.04 H new ATOM 0 HB3 ASN A 75 -10.251 -0.634 5.514 1.00 44.04 H new ATOM 0 HD21 ASN A 75 -10.022 -0.765 1.364 1.00 3.22 H new ATOM 0 HD22 ASN A 75 -10.288 -2.241 2.297 1.00 3.22 H new ATOM 1142 N GLU A 76 -9.331 -2.880 7.144 1.00 41.32 N ATOM 1143 CA GLU A 76 -8.627 -2.878 8.422 1.00 42.02 C ATOM 1144 C GLU A 76 -7.443 -3.840 8.392 1.00 52.14 C ATOM 1145 O GLU A 76 -6.334 -3.487 8.789 1.00 0.13 O ATOM 1146 CB GLU A 76 -9.581 -3.261 9.555 1.00 61.34 C ATOM 1147 CG GLU A 76 -10.320 -4.567 9.313 1.00 40.13 C ATOM 1148 CD GLU A 76 -11.738 -4.543 9.849 1.00 21.33 C ATOM 1149 OE1 GLU A 76 -12.515 -3.658 9.435 1.00 30.42 O ATOM 1150 OE2 GLU A 76 -12.071 -5.410 10.685 1.00 44.53 O ATOM 0 H GLU A 76 -10.297 -3.205 7.194 1.00 41.32 H new ATOM 0 HA GLU A 76 -8.250 -1.871 8.599 1.00 42.02 H new ATOM 0 HB2 GLU A 76 -9.016 -3.340 10.484 1.00 61.34 H new ATOM 0 HB3 GLU A 76 -10.309 -2.461 9.692 1.00 61.34 H new ATOM 0 HG2 GLU A 76 -10.344 -4.774 8.243 1.00 40.13 H new ATOM 0 HG3 GLU A 76 -9.772 -5.383 9.783 1.00 40.13 H new ATOM 1157 N GLU A 77 -7.689 -5.058 7.918 1.00 13.33 N ATOM 1158 CA GLU A 77 -6.643 -6.071 7.838 1.00 23.50 C ATOM 1159 C GLU A 77 -5.491 -5.596 6.958 1.00 13.03 C ATOM 1160 O GLU A 77 -4.321 -5.779 7.296 1.00 1.04 O ATOM 1161 CB GLU A 77 -7.213 -7.381 7.289 1.00 51.43 C ATOM 1162 CG GLU A 77 -6.420 -8.610 7.700 1.00 44.44 C ATOM 1163 CD GLU A 77 -6.387 -8.806 9.203 1.00 43.01 C ATOM 1164 OE1 GLU A 77 -7.472 -8.948 9.806 1.00 63.04 O ATOM 1165 OE2 GLU A 77 -5.278 -8.818 9.777 1.00 45.43 O ATOM 0 H GLU A 77 -8.602 -5.366 7.584 1.00 13.33 H new ATOM 0 HA GLU A 77 -6.261 -6.242 8.844 1.00 23.50 H new ATOM 0 HB2 GLU A 77 -8.242 -7.492 7.632 1.00 51.43 H new ATOM 0 HB3 GLU A 77 -7.244 -7.326 6.201 1.00 51.43 H new ATOM 0 HG2 GLU A 77 -6.856 -9.493 7.232 1.00 44.44 H new ATOM 0 HG3 GLU A 77 -5.400 -8.522 7.326 1.00 44.44 H new ATOM 1172 N ILE A 78 -5.831 -4.985 5.827 1.00 4.15 N ATOM 1173 CA ILE A 78 -4.825 -4.483 4.899 1.00 74.21 C ATOM 1174 C ILE A 78 -4.038 -3.329 5.511 1.00 32.45 C ATOM 1175 O ILE A 78 -2.808 -3.334 5.511 1.00 21.54 O ATOM 1176 CB ILE A 78 -5.464 -4.011 3.579 1.00 4.24 C ATOM 1177 CG1 ILE A 78 -6.319 -5.126 2.974 1.00 61.15 C ATOM 1178 CG2 ILE A 78 -4.387 -3.570 2.599 1.00 73.32 C ATOM 1179 CD1 ILE A 78 -7.259 -4.645 1.890 1.00 4.50 C ATOM 0 H ILE A 78 -6.794 -4.826 5.532 1.00 4.15 H new ATOM 0 HA ILE A 78 -4.147 -5.311 4.690 1.00 74.21 H new ATOM 0 HB ILE A 78 -6.109 -3.158 3.788 1.00 4.24 H new ATOM 0 HG12 ILE A 78 -5.663 -5.893 2.561 1.00 61.15 H new ATOM 0 HG13 ILE A 78 -6.901 -5.597 3.766 1.00 61.15 H new ATOM 0 HG21 ILE A 78 -4.853 -3.239 1.671 1.00 73.32 H new ATOM 0 HG22 ILE A 78 -3.816 -2.748 3.031 1.00 73.32 H new ATOM 0 HG23 ILE A 78 -3.719 -4.406 2.392 1.00 73.32 H new ATOM 0 HD11 ILE A 78 -7.834 -5.488 1.506 1.00 4.50 H new ATOM 0 HD12 ILE A 78 -7.939 -3.900 2.303 1.00 4.50 H new ATOM 0 HD13 ILE A 78 -6.682 -4.200 1.079 1.00 4.50 H new ATOM 1191 N ASN A 79 -4.759 -2.342 6.035 1.00 41.32 N ATOM 1192 CA ASN A 79 -4.127 -1.181 6.653 1.00 13.01 C ATOM 1193 C ASN A 79 -3.128 -1.610 7.722 1.00 43.34 C ATOM 1194 O ASN A 79 -2.019 -1.082 7.795 1.00 2.13 O ATOM 1195 CB ASN A 79 -5.188 -0.266 7.269 1.00 41.24 C ATOM 1196 CG ASN A 79 -4.933 0.009 8.737 1.00 3.41 C ATOM 1197 OD1 ASN A 79 -4.186 0.923 9.089 1.00 54.42 O ATOM 1198 ND2 ASN A 79 -5.552 -0.784 9.604 1.00 11.24 N ATOM 0 H ASN A 79 -5.779 -2.323 6.044 1.00 41.32 H new ATOM 0 HA ASN A 79 -3.590 -0.635 5.878 1.00 13.01 H new ATOM 0 HB2 ASN A 79 -5.210 0.678 6.724 1.00 41.24 H new ATOM 0 HB3 ASN A 79 -6.170 -0.724 7.153 1.00 41.24 H new ATOM 0 HD21 ASN A 79 -5.417 -0.648 10.606 1.00 11.24 H new ATOM 0 HD22 ASN A 79 -6.162 -1.529 9.268 1.00 11.24 H new ATOM 1205 N GLU A 80 -3.529 -2.570 8.548 1.00 63.51 N ATOM 1206 CA GLU A 80 -2.667 -3.070 9.614 1.00 60.34 C ATOM 1207 C GLU A 80 -1.581 -3.983 9.052 1.00 22.42 C ATOM 1208 O GLU A 80 -0.490 -4.085 9.613 1.00 55.03 O ATOM 1209 CB GLU A 80 -3.494 -3.825 10.658 1.00 52.23 C ATOM 1210 CG GLU A 80 -4.005 -5.170 10.171 1.00 20.12 C ATOM 1211 CD GLU A 80 -4.647 -5.985 11.278 1.00 1.22 C ATOM 1212 OE1 GLU A 80 -3.950 -6.291 12.269 1.00 14.43 O ATOM 1213 OE2 GLU A 80 -5.844 -6.316 11.153 1.00 2.14 O ATOM 0 H GLU A 80 -4.444 -3.017 8.501 1.00 63.51 H new ATOM 0 HA GLU A 80 -2.188 -2.215 10.090 1.00 60.34 H new ATOM 0 HB2 GLU A 80 -2.886 -3.978 11.550 1.00 52.23 H new ATOM 0 HB3 GLU A 80 -4.343 -3.208 10.953 1.00 52.23 H new ATOM 0 HG2 GLU A 80 -4.731 -5.012 9.373 1.00 20.12 H new ATOM 0 HG3 GLU A 80 -3.178 -5.735 9.742 1.00 20.12 H new ATOM 1220 N GLU A 81 -1.888 -4.646 7.941 1.00 34.54 N ATOM 1221 CA GLU A 81 -0.940 -5.552 7.305 1.00 53.05 C ATOM 1222 C GLU A 81 0.303 -4.798 6.839 1.00 11.15 C ATOM 1223 O GLU A 81 1.429 -5.176 7.164 1.00 42.12 O ATOM 1224 CB GLU A 81 -1.595 -6.260 6.117 1.00 50.10 C ATOM 1225 CG GLU A 81 -0.664 -7.214 5.388 1.00 5.22 C ATOM 1226 CD GLU A 81 -0.119 -8.302 6.292 1.00 44.41 C ATOM 1227 OE1 GLU A 81 0.723 -7.988 7.160 1.00 32.31 O ATOM 1228 OE2 GLU A 81 -0.534 -9.469 6.132 1.00 32.42 O ATOM 0 H GLU A 81 -2.786 -4.572 7.463 1.00 34.54 H new ATOM 0 HA GLU A 81 -0.638 -6.297 8.041 1.00 53.05 H new ATOM 0 HB2 GLU A 81 -2.465 -6.814 6.470 1.00 50.10 H new ATOM 0 HB3 GLU A 81 -1.957 -5.511 5.413 1.00 50.10 H new ATOM 0 HG2 GLU A 81 -1.198 -7.672 4.556 1.00 5.22 H new ATOM 0 HG3 GLU A 81 0.166 -6.651 4.962 1.00 5.22 H new ATOM 1235 N LEU A 82 0.090 -3.731 6.077 1.00 25.21 N ATOM 1236 CA LEU A 82 1.192 -2.924 5.566 1.00 64.21 C ATOM 1237 C LEU A 82 1.637 -1.893 6.598 1.00 61.02 C ATOM 1238 O LEU A 82 2.801 -1.498 6.634 1.00 24.33 O ATOM 1239 CB LEU A 82 0.778 -2.221 4.272 1.00 71.53 C ATOM 1240 CG LEU A 82 0.129 -3.104 3.207 1.00 75.44 C ATOM 1241 CD1 LEU A 82 -1.354 -2.789 3.082 1.00 21.43 C ATOM 1242 CD2 LEU A 82 0.827 -2.925 1.866 1.00 12.42 C ATOM 0 H LEU A 82 -0.836 -3.405 5.799 1.00 25.21 H new ATOM 0 HA LEU A 82 2.031 -3.589 5.359 1.00 64.21 H new ATOM 0 HB2 LEU A 82 0.083 -1.420 4.524 1.00 71.53 H new ATOM 0 HB3 LEU A 82 1.661 -1.752 3.838 1.00 71.53 H new ATOM 0 HG LEU A 82 0.235 -4.145 3.514 1.00 75.44 H new ATOM 0 HD11 LEU A 82 -1.799 -3.428 2.319 1.00 21.43 H new ATOM 0 HD12 LEU A 82 -1.846 -2.969 4.038 1.00 21.43 H new ATOM 0 HD13 LEU A 82 -1.481 -1.744 2.800 1.00 21.43 H new ATOM 0 HD21 LEU A 82 0.351 -3.562 1.120 1.00 12.42 H new ATOM 0 HD22 LEU A 82 0.754 -1.883 1.554 1.00 12.42 H new ATOM 0 HD23 LEU A 82 1.877 -3.202 1.962 1.00 12.42 H new ATOM 1254 N GLY A 83 0.700 -1.462 7.438 1.00 25.54 N ATOM 1255 CA GLY A 83 1.016 -0.483 8.462 1.00 22.33 C ATOM 1256 C GLY A 83 0.808 0.941 7.986 1.00 33.32 C ATOM 1257 O GLY A 83 1.541 1.847 8.380 1.00 10.25 O ATOM 0 H GLY A 83 -0.271 -1.773 7.427 1.00 25.54 H new ATOM 0 HA2 GLY A 83 0.394 -0.665 9.338 1.00 22.33 H new ATOM 0 HA3 GLY A 83 2.052 -0.611 8.775 1.00 22.33 H new ATOM 1261 N ILE A 84 -0.193 1.137 7.134 1.00 34.22 N ATOM 1262 CA ILE A 84 -0.495 2.461 6.604 1.00 61.31 C ATOM 1263 C ILE A 84 -1.735 3.050 7.268 1.00 53.32 C ATOM 1264 O ILE A 84 -2.297 2.461 8.190 1.00 12.23 O ATOM 1265 CB ILE A 84 -0.713 2.420 5.080 1.00 54.13 C ATOM 1266 CG1 ILE A 84 -1.906 1.526 4.737 1.00 34.41 C ATOM 1267 CG2 ILE A 84 0.543 1.928 4.378 1.00 63.32 C ATOM 1268 CD1 ILE A 84 -2.192 1.442 3.254 1.00 33.11 C ATOM 0 H ILE A 84 -0.808 0.397 6.796 1.00 34.22 H new ATOM 0 HA ILE A 84 0.366 3.093 6.823 1.00 61.31 H new ATOM 0 HB ILE A 84 -0.928 3.430 4.732 1.00 54.13 H new ATOM 0 HG12 ILE A 84 -1.720 0.523 5.120 1.00 34.41 H new ATOM 0 HG13 ILE A 84 -2.791 1.903 5.249 1.00 34.41 H new ATOM 0 HG21 ILE A 84 0.373 1.905 3.302 1.00 63.32 H new ATOM 0 HG22 ILE A 84 1.371 2.601 4.600 1.00 63.32 H new ATOM 0 HG23 ILE A 84 0.787 0.925 4.729 1.00 63.32 H new ATOM 0 HD11 ILE A 84 -3.050 0.792 3.085 1.00 33.11 H new ATOM 0 HD12 ILE A 84 -2.410 2.438 2.869 1.00 33.11 H new ATOM 0 HD13 ILE A 84 -1.322 1.036 2.738 1.00 33.11 H new ATOM 1280 N GLY A 85 -2.157 4.218 6.791 1.00 12.15 N ATOM 1281 CA GLY A 85 -3.329 4.867 7.349 1.00 4.25 C ATOM 1282 C GLY A 85 -4.454 4.997 6.343 1.00 73.45 C ATOM 1283 O GLY A 85 -4.886 6.104 6.023 1.00 25.14 O ATOM 0 H GLY A 85 -1.708 4.726 6.029 1.00 12.15 H new ATOM 0 HA2 GLY A 85 -3.680 4.298 8.210 1.00 4.25 H new ATOM 0 HA3 GLY A 85 -3.054 5.857 7.712 1.00 4.25 H new ATOM 1287 N GLN A 86 -4.930 3.862 5.840 1.00 24.40 N ATOM 1288 CA GLN A 86 -6.011 3.854 4.861 1.00 23.23 C ATOM 1289 C GLN A 86 -7.208 4.653 5.367 1.00 71.04 C ATOM 1290 O GLN A 86 -7.246 5.068 6.525 1.00 21.02 O ATOM 1291 CB GLN A 86 -6.436 2.418 4.551 1.00 44.03 C ATOM 1292 CG GLN A 86 -6.152 1.996 3.119 1.00 65.04 C ATOM 1293 CD GLN A 86 -6.364 0.511 2.895 1.00 61.23 C ATOM 1294 OE1 GLN A 86 -7.478 0.067 2.616 1.00 33.11 O ATOM 1295 NE2 GLN A 86 -5.294 -0.266 3.015 1.00 1.22 N ATOM 0 H GLN A 86 -4.584 2.937 6.094 1.00 24.40 H new ATOM 0 HA GLN A 86 -5.644 4.322 3.947 1.00 23.23 H new ATOM 0 HB2 GLN A 86 -5.919 1.740 5.230 1.00 44.03 H new ATOM 0 HB3 GLN A 86 -7.503 2.313 4.747 1.00 44.03 H new ATOM 0 HG2 GLN A 86 -6.798 2.557 2.444 1.00 65.04 H new ATOM 0 HG3 GLN A 86 -5.124 2.255 2.865 1.00 65.04 H new ATOM 0 HE21 GLN A 86 -4.389 0.144 3.248 1.00 1.22 H new ATOM 0 HE22 GLN A 86 -5.377 -1.273 2.875 1.00 1.22 H new