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 143:sc= 0.21 USER MOD Set 1.2: A 34 CYS SG : rot -57:sc= 0.655 USER MOD Set 1.3: A 56 CYS SG : rot 116:sc= -0.0444 USER MOD Set 1.4: A 57 MET CE :methyl 152:sc= -1.71 (180deg=-2.06!) USER MOD Set 1.5: A 67 CYS SG : rot -61:sc= 0.282 USER MOD Single : A 26 SER OG : rot -33:sc= 0.115 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= -2.61! K(o=-2.6!,f=-0.97) USER MOD Single : A 59 ASN : amide:sc= 0.52 K(o=0.52,f=-4.5!) 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= 0.0816 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0733 USER MOD Single : A 71 GLN : amide:sc= -3.45! C(o=-3.5!,f=-4.6!) USER MOD Single : A 73 MET CE :methyl -178:sc= -2.34 (180deg=-2.36) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.21) USER MOD Single : A 79 ASN : amide:sc= -0.473 K(o=-0.47,f=0.71) USER MOD Single : A 86 GLN : amide:sc= -3.22! K(o=-3.2!,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.301 -12.101 -0.918 1.00 51.32 N ATOM 367 CA SER A 26 3.001 -11.578 -1.320 1.00 65.44 C ATOM 368 C SER A 26 2.986 -10.054 -1.262 1.00 24.04 C ATOM 369 O SER A 26 3.383 -9.455 -0.262 1.00 74.53 O ATOM 370 CB SER A 26 1.900 -12.145 -0.420 1.00 35.25 C ATOM 371 OG SER A 26 2.177 -11.892 0.945 1.00 3.50 O ATOM 0 HA SER A 26 2.815 -11.886 -2.349 1.00 65.44 H new ATOM 0 HB2 SER A 26 0.942 -11.700 -0.688 1.00 35.25 H new ATOM 0 HB3 SER A 26 1.810 -13.219 -0.583 1.00 35.25 H new ATOM 0 HG SER A 26 3.146 -11.913 1.092 1.00 3.50 H new ATOM 377 N ALA A 27 2.525 -9.431 -2.342 1.00 64.45 N ATOM 378 CA ALA A 27 2.456 -7.977 -2.415 1.00 42.11 C ATOM 379 C ALA A 27 1.024 -7.506 -2.642 1.00 71.10 C ATOM 380 O ALA A 27 0.206 -8.230 -3.210 1.00 5.23 O ATOM 381 CB ALA A 27 3.365 -7.461 -3.519 1.00 11.50 C ATOM 0 H ALA A 27 2.194 -9.911 -3.179 1.00 64.45 H new ATOM 0 HA ALA A 27 2.796 -7.573 -1.461 1.00 42.11 H new ATOM 0 HB1 ALA A 27 3.304 -6.374 -3.562 1.00 11.50 H new ATOM 0 HB2 ALA A 27 4.393 -7.758 -3.313 1.00 11.50 H new ATOM 0 HB3 ALA A 27 3.051 -7.880 -4.475 1.00 11.50 H new ATOM 387 N TRP A 28 0.728 -6.291 -2.196 1.00 63.15 N ATOM 388 CA TRP A 28 -0.607 -5.725 -2.351 1.00 1.51 C ATOM 389 C TRP A 28 -0.685 -4.847 -3.595 1.00 3.23 C ATOM 390 O TRP A 28 0.194 -4.019 -3.838 1.00 13.34 O ATOM 391 CB TRP A 28 -0.985 -4.910 -1.113 1.00 43.31 C ATOM 392 CG TRP A 28 -1.643 -5.728 -0.042 1.00 11.21 C ATOM 393 CD1 TRP A 28 -1.092 -6.120 1.144 1.00 61.30 C ATOM 394 CD2 TRP A 28 -2.974 -6.253 -0.063 1.00 24.21 C ATOM 395 NE1 TRP A 28 -2.002 -6.858 1.863 1.00 33.32 N ATOM 396 CE2 TRP A 28 -3.165 -6.954 1.145 1.00 11.11 C ATOM 397 CE3 TRP A 28 -4.026 -6.198 -0.982 1.00 52.11 C ATOM 398 CZ2 TRP A 28 -4.362 -7.594 1.453 1.00 0.11 C ATOM 399 CZ3 TRP A 28 -5.214 -6.835 -0.674 1.00 14.44 C ATOM 400 CH2 TRP A 28 -5.374 -7.525 0.534 1.00 44.01 C ATOM 0 H TRP A 28 1.394 -5.679 -1.724 1.00 63.15 H new ATOM 0 HA TRP A 28 -1.312 -6.548 -2.465 1.00 1.51 H new ATOM 0 HB2 TRP A 28 -0.088 -4.445 -0.705 1.00 43.31 H new ATOM 0 HB3 TRP A 28 -1.656 -4.104 -1.408 1.00 43.31 H new ATOM 0 HD1 TRP A 28 -0.089 -5.885 1.469 1.00 61.30 H new ATOM 0 HE1 TRP A 28 -1.838 -7.268 2.782 1.00 33.32 H new ATOM 0 HE3 TRP A 28 -3.913 -5.667 -1.916 1.00 52.11 H new ATOM 0 HZ2 TRP A 28 -4.488 -8.126 2.384 1.00 0.11 H new ATOM 0 HZ3 TRP A 28 -6.033 -6.800 -1.377 1.00 14.44 H new ATOM 0 HH2 TRP A 28 -6.314 -8.012 0.745 1.00 44.01 H new ATOM 411 N VAL A 29 -1.742 -5.030 -4.379 1.00 72.33 N ATOM 412 CA VAL A 29 -1.934 -4.253 -5.598 1.00 60.12 C ATOM 413 C VAL A 29 -3.343 -3.676 -5.665 1.00 43.31 C ATOM 414 O VAL A 29 -4.300 -4.291 -5.194 1.00 70.20 O ATOM 415 CB VAL A 29 -1.681 -5.108 -6.854 1.00 62.21 C ATOM 416 CG1 VAL A 29 -2.698 -6.236 -6.946 1.00 20.43 C ATOM 417 CG2 VAL A 29 -1.720 -4.241 -8.104 1.00 32.31 C ATOM 0 H VAL A 29 -2.479 -5.710 -4.192 1.00 72.33 H new ATOM 0 HA VAL A 29 -1.211 -3.437 -5.571 1.00 60.12 H new ATOM 0 HB VAL A 29 -0.688 -5.552 -6.777 1.00 62.21 H new ATOM 0 HG11 VAL A 29 -2.504 -6.829 -7.839 1.00 20.43 H new ATOM 0 HG12 VAL A 29 -2.618 -6.871 -6.064 1.00 20.43 H new ATOM 0 HG13 VAL A 29 -3.703 -5.817 -7.001 1.00 20.43 H new ATOM 0 HG21 VAL A 29 -1.539 -4.861 -8.982 1.00 32.31 H new ATOM 0 HG22 VAL A 29 -2.698 -3.768 -8.188 1.00 32.31 H new ATOM 0 HG23 VAL A 29 -0.950 -3.472 -8.038 1.00 32.31 H new ATOM 427 N ARG A 30 -3.464 -2.490 -6.253 1.00 70.41 N ATOM 428 CA ARG A 30 -4.756 -1.828 -6.381 1.00 65.33 C ATOM 429 C ARG A 30 -5.254 -1.882 -7.822 1.00 24.45 C ATOM 430 O ARG A 30 -4.473 -1.756 -8.765 1.00 15.31 O ATOM 431 CB ARG A 30 -4.657 -0.374 -5.918 1.00 2.12 C ATOM 432 CG ARG A 30 -6.000 0.335 -5.842 1.00 53.52 C ATOM 433 CD ARG A 30 -5.929 1.729 -6.444 1.00 2.24 C ATOM 434 NE ARG A 30 -5.724 1.691 -7.890 1.00 42.31 N ATOM 435 CZ ARG A 30 -5.324 2.738 -8.603 1.00 41.32 C ATOM 436 NH1 ARG A 30 -5.087 3.899 -8.007 1.00 64.51 N ATOM 437 NH2 ARG A 30 -5.160 2.625 -9.915 1.00 3.11 N ATOM 0 H ARG A 30 -2.682 -1.968 -6.648 1.00 70.41 H new ATOM 0 HA ARG A 30 -5.470 -2.355 -5.748 1.00 65.33 H new ATOM 0 HB2 ARG A 30 -4.185 -0.346 -4.936 1.00 2.12 H new ATOM 0 HB3 ARG A 30 -4.006 0.172 -6.600 1.00 2.12 H new ATOM 0 HG2 ARG A 30 -6.753 -0.252 -6.368 1.00 53.52 H new ATOM 0 HG3 ARG A 30 -6.319 0.403 -4.802 1.00 53.52 H new ATOM 0 HD2 ARG A 30 -6.851 2.267 -6.223 1.00 2.24 H new ATOM 0 HD3 ARG A 30 -5.116 2.285 -5.977 1.00 2.24 H new ATOM 0 HE ARG A 30 -5.897 0.813 -8.379 1.00 42.31 H new ATOM 0 HH11 ARG A 30 -5.212 3.990 -6.999 1.00 64.51 H new ATOM 0 HH12 ARG A 30 -4.780 4.701 -8.557 1.00 64.51 H new ATOM 0 HH21 ARG A 30 -5.341 1.734 -10.377 1.00 3.11 H new ATOM 0 HH22 ARG A 30 -4.853 3.429 -10.462 1.00 3.11 H new ATOM 451 N CYS A 31 -6.560 -2.069 -7.985 1.00 32.20 N ATOM 452 CA CYS A 31 -7.163 -2.141 -9.310 1.00 32.03 C ATOM 453 C CYS A 31 -7.298 -0.749 -9.922 1.00 22.40 C ATOM 454 O CYS A 31 -7.619 0.216 -9.229 1.00 24.13 O ATOM 455 CB CYS A 31 -8.535 -2.812 -9.234 1.00 72.31 C ATOM 456 SG CYS A 31 -9.327 -3.073 -10.853 1.00 74.01 S ATOM 0 H CYS A 31 -7.221 -2.173 -7.215 1.00 32.20 H new ATOM 0 HA CYS A 31 -6.510 -2.738 -9.947 1.00 32.03 H new ATOM 0 HB2 CYS A 31 -8.429 -3.775 -8.734 1.00 72.31 H new ATOM 0 HB3 CYS A 31 -9.192 -2.202 -8.614 1.00 72.31 H new ATOM 0 HG CYS A 31 -9.972 -4.202 -10.844 1.00 74.01 H new ATOM 461 N ASP A 32 -7.052 -0.655 -11.224 1.00 40.41 N ATOM 462 CA ASP A 32 -7.148 0.618 -11.930 1.00 51.04 C ATOM 463 C ASP A 32 -8.490 0.744 -12.643 1.00 4.24 C ATOM 464 O ASP A 32 -8.584 1.358 -13.706 1.00 73.22 O ATOM 465 CB ASP A 32 -6.006 0.753 -12.938 1.00 11.31 C ATOM 466 CG ASP A 32 -5.516 2.182 -13.070 1.00 72.01 C ATOM 467 OD1 ASP A 32 -6.357 3.078 -13.292 1.00 41.21 O ATOM 468 OD2 ASP A 32 -4.293 2.404 -12.953 1.00 53.02 O ATOM 0 H ASP A 32 -6.785 -1.444 -11.812 1.00 40.41 H new ATOM 0 HA ASP A 32 -7.071 1.420 -11.196 1.00 51.04 H new ATOM 0 HB2 ASP A 32 -5.177 0.115 -12.631 1.00 11.31 H new ATOM 0 HB3 ASP A 32 -6.341 0.395 -13.912 1.00 11.31 H new ATOM 473 N ASP A 33 -9.526 0.159 -12.051 1.00 41.22 N ATOM 474 CA ASP A 33 -10.863 0.205 -12.629 1.00 11.15 C ATOM 475 C ASP A 33 -11.918 0.400 -11.544 1.00 22.24 C ATOM 476 O ASP A 33 -12.829 1.217 -11.688 1.00 74.20 O ATOM 477 CB ASP A 33 -11.149 -1.077 -13.412 1.00 22.13 C ATOM 478 CG ASP A 33 -12.421 -0.984 -14.231 1.00 34.20 C ATOM 479 OD1 ASP A 33 -12.935 0.140 -14.403 1.00 11.31 O ATOM 480 OD2 ASP A 33 -12.903 -2.038 -14.701 1.00 2.55 O ATOM 0 H ASP A 33 -9.465 -0.353 -11.171 1.00 41.22 H new ATOM 0 HA ASP A 33 -10.908 1.054 -13.311 1.00 11.15 H new ATOM 0 HB2 ASP A 33 -10.309 -1.290 -14.074 1.00 22.13 H new ATOM 0 HB3 ASP A 33 -11.228 -1.913 -12.718 1.00 22.13 H new ATOM 485 N CYS A 34 -11.789 -0.354 -10.459 1.00 72.44 N ATOM 486 CA CYS A 34 -12.732 -0.267 -9.350 1.00 54.55 C ATOM 487 C CYS A 34 -12.057 0.305 -8.107 1.00 11.35 C ATOM 488 O CYS A 34 -12.720 0.637 -7.124 1.00 71.11 O ATOM 489 CB CYS A 34 -13.313 -1.648 -9.038 1.00 3.34 C ATOM 490 SG CYS A 34 -12.080 -2.865 -8.476 1.00 31.33 S ATOM 0 H CYS A 34 -11.040 -1.033 -10.323 1.00 72.44 H new ATOM 0 HA CYS A 34 -13.541 0.402 -9.644 1.00 54.55 H new ATOM 0 HB2 CYS A 34 -14.080 -1.543 -8.270 1.00 3.34 H new ATOM 0 HB3 CYS A 34 -13.806 -2.033 -9.931 1.00 3.34 H new ATOM 0 HG CYS A 34 -11.151 -2.989 -9.376 1.00 31.33 H new ATOM 495 N PHE A 35 -10.734 0.418 -8.157 1.00 35.11 N ATOM 496 CA PHE A 35 -9.968 0.949 -7.036 1.00 33.01 C ATOM 497 C PHE A 35 -10.181 0.105 -5.784 1.00 4.21 C ATOM 498 O PHE A 35 -10.789 0.557 -4.813 1.00 72.22 O ATOM 499 CB PHE A 35 -10.367 2.401 -6.761 1.00 72.52 C ATOM 500 CG PHE A 35 -10.113 3.322 -7.920 1.00 62.43 C ATOM 501 CD1 PHE A 35 -8.837 3.470 -8.438 1.00 50.35 C ATOM 502 CD2 PHE A 35 -11.151 4.040 -8.491 1.00 12.34 C ATOM 503 CE1 PHE A 35 -8.599 4.316 -9.505 1.00 3.42 C ATOM 504 CE2 PHE A 35 -10.920 4.889 -9.557 1.00 31.12 C ATOM 505 CZ PHE A 35 -9.642 5.028 -10.064 1.00 24.20 C ATOM 0 H PHE A 35 -10.170 0.149 -8.963 1.00 35.11 H new ATOM 0 HA PHE A 35 -8.911 0.914 -7.301 1.00 33.01 H new ATOM 0 HB2 PHE A 35 -11.426 2.436 -6.505 1.00 72.52 H new ATOM 0 HB3 PHE A 35 -9.816 2.762 -5.892 1.00 72.52 H new ATOM 0 HD1 PHE A 35 -8.018 2.917 -8.003 1.00 50.35 H new ATOM 0 HD2 PHE A 35 -12.152 3.935 -8.099 1.00 12.34 H new ATOM 0 HE1 PHE A 35 -7.599 4.420 -9.901 1.00 3.42 H new ATOM 0 HE2 PHE A 35 -11.738 5.443 -9.993 1.00 31.12 H new ATOM 0 HZ PHE A 35 -9.459 5.692 -10.896 1.00 24.20 H new ATOM 515 N LYS A 36 -9.676 -1.124 -5.812 1.00 10.32 N ATOM 516 CA LYS A 36 -9.809 -2.033 -4.680 1.00 3.23 C ATOM 517 C LYS A 36 -8.501 -2.770 -4.418 1.00 52.23 C ATOM 518 O LYS A 36 -7.762 -3.093 -5.348 1.00 21.20 O ATOM 519 CB LYS A 36 -10.932 -3.040 -4.938 1.00 34.30 C ATOM 520 CG LYS A 36 -11.783 -3.329 -3.714 1.00 61.33 C ATOM 521 CD LYS A 36 -12.876 -2.289 -3.537 1.00 64.43 C ATOM 522 CE LYS A 36 -13.847 -2.683 -2.433 1.00 2.42 C ATOM 523 NZ LYS A 36 -15.183 -2.053 -2.618 1.00 61.42 N ATOM 0 H LYS A 36 -9.170 -1.513 -6.608 1.00 10.32 H new ATOM 0 HA LYS A 36 -10.055 -1.442 -3.798 1.00 3.23 H new ATOM 0 HB2 LYS A 36 -11.573 -2.661 -5.734 1.00 34.30 H new ATOM 0 HB3 LYS A 36 -10.497 -3.973 -5.296 1.00 34.30 H new ATOM 0 HG2 LYS A 36 -12.232 -4.318 -3.807 1.00 61.33 H new ATOM 0 HG3 LYS A 36 -11.151 -3.348 -2.826 1.00 61.33 H new ATOM 0 HD2 LYS A 36 -12.427 -1.324 -3.301 1.00 64.43 H new ATOM 0 HD3 LYS A 36 -13.419 -2.167 -4.474 1.00 64.43 H new ATOM 0 HE2 LYS A 36 -13.956 -3.767 -2.416 1.00 2.42 H new ATOM 0 HE3 LYS A 36 -13.437 -2.388 -1.467 1.00 2.42 H new ATOM 0 HZ1 LYS A 36 -15.815 -2.346 -1.846 1.00 61.42 H new ATOM 0 HZ2 LYS A 36 -15.083 -1.018 -2.609 1.00 61.42 H new ATOM 0 HZ3 LYS A 36 -15.586 -2.354 -3.528 1.00 61.42 H new ATOM 537 N TRP A 37 -8.221 -3.035 -3.147 1.00 41.22 N ATOM 538 CA TRP A 37 -7.001 -3.736 -2.763 1.00 52.02 C ATOM 539 C TRP A 37 -7.075 -5.210 -3.150 1.00 1.52 C ATOM 540 O TRP A 37 -8.135 -5.830 -3.067 1.00 2.22 O ATOM 541 CB TRP A 37 -6.763 -3.603 -1.258 1.00 64.54 C ATOM 542 CG TRP A 37 -5.864 -2.460 -0.898 1.00 64.55 C ATOM 543 CD1 TRP A 37 -6.093 -1.504 0.051 1.00 34.21 C ATOM 544 CD2 TRP A 37 -4.593 -2.152 -1.482 1.00 65.20 C ATOM 545 NE1 TRP A 37 -5.042 -0.621 0.092 1.00 53.24 N ATOM 546 CE2 TRP A 37 -4.109 -0.997 -0.838 1.00 44.32 C ATOM 547 CE3 TRP A 37 -3.818 -2.740 -2.483 1.00 75.22 C ATOM 548 CZ2 TRP A 37 -2.885 -0.420 -1.167 1.00 42.44 C ATOM 549 CZ3 TRP A 37 -2.603 -2.167 -2.809 1.00 3.51 C ATOM 550 CH2 TRP A 37 -2.145 -1.017 -2.151 1.00 25.01 C ATOM 0 H TRP A 37 -8.822 -2.775 -2.365 1.00 41.22 H new ATOM 0 HA TRP A 37 -6.167 -3.280 -3.297 1.00 52.02 H new ATOM 0 HB2 TRP A 37 -7.722 -3.474 -0.756 1.00 64.54 H new ATOM 0 HB3 TRP A 37 -6.329 -4.530 -0.883 1.00 64.54 H new ATOM 0 HD1 TRP A 37 -6.972 -1.451 0.677 1.00 34.21 H new ATOM 0 HE1 TRP A 37 -4.968 0.184 0.714 1.00 53.24 H new ATOM 0 HE3 TRP A 37 -4.162 -3.627 -2.994 1.00 75.22 H new ATOM 0 HZ2 TRP A 37 -2.532 0.468 -0.663 1.00 42.44 H new ATOM 0 HZ3 TRP A 37 -1.996 -2.613 -3.584 1.00 3.51 H new ATOM 0 HH2 TRP A 37 -1.190 -0.594 -2.426 1.00 25.01 H new ATOM 561 N ARG A 38 -5.944 -5.764 -3.572 1.00 34.14 N ATOM 562 CA ARG A 38 -5.882 -7.164 -3.973 1.00 72.32 C ATOM 563 C ARG A 38 -4.530 -7.773 -3.613 1.00 35.11 C ATOM 564 O ARG A 38 -3.483 -7.267 -4.017 1.00 71.54 O ATOM 565 CB ARG A 38 -6.129 -7.298 -5.478 1.00 43.04 C ATOM 566 CG ARG A 38 -7.422 -8.021 -5.820 1.00 51.45 C ATOM 567 CD ARG A 38 -7.426 -9.442 -5.276 1.00 23.35 C ATOM 568 NE ARG A 38 -8.524 -10.233 -5.824 1.00 63.03 N ATOM 569 CZ ARG A 38 -9.790 -10.095 -5.444 1.00 32.43 C ATOM 570 NH1 ARG A 38 -10.115 -9.200 -4.523 1.00 0.21 N ATOM 571 NH2 ARG A 38 -10.733 -10.852 -5.989 1.00 65.33 N ATOM 0 H ARG A 38 -5.058 -5.265 -3.645 1.00 34.14 H new ATOM 0 HA ARG A 38 -6.660 -7.705 -3.434 1.00 72.32 H new ATOM 0 HB2 ARG A 38 -6.149 -6.304 -5.924 1.00 43.04 H new ATOM 0 HB3 ARG A 38 -5.293 -7.833 -5.929 1.00 43.04 H new ATOM 0 HG2 ARG A 38 -8.268 -7.470 -5.409 1.00 51.45 H new ATOM 0 HG3 ARG A 38 -7.552 -8.044 -6.902 1.00 51.45 H new ATOM 0 HD2 ARG A 38 -6.478 -9.924 -5.514 1.00 23.35 H new ATOM 0 HD3 ARG A 38 -7.506 -9.414 -4.189 1.00 23.35 H new ATOM 0 HE ARG A 38 -8.308 -10.929 -6.537 1.00 63.03 H new ATOM 0 HH11 ARG A 38 -9.393 -8.615 -4.104 1.00 0.21 H new ATOM 0 HH12 ARG A 38 -11.088 -9.096 -4.233 1.00 0.21 H new ATOM 0 HH21 ARG A 38 -10.487 -11.540 -6.700 1.00 65.33 H new ATOM 0 HH22 ARG A 38 -11.704 -10.746 -5.697 1.00 65.33 H new ATOM 585 N ARG A 39 -4.562 -8.862 -2.853 1.00 44.24 N ATOM 586 CA ARG A 39 -3.339 -9.540 -2.437 1.00 1.10 C ATOM 587 C ARG A 39 -2.884 -10.538 -3.497 1.00 10.33 C ATOM 588 O ARG A 39 -3.656 -11.392 -3.931 1.00 74.44 O ATOM 589 CB ARG A 39 -3.558 -10.258 -1.104 1.00 52.24 C ATOM 590 CG ARG A 39 -2.267 -10.686 -0.424 1.00 12.23 C ATOM 591 CD ARG A 39 -2.044 -9.926 0.875 1.00 53.45 C ATOM 592 NE ARG A 39 -1.153 -10.645 1.782 1.00 62.15 N ATOM 593 CZ ARG A 39 -1.554 -11.633 2.576 1.00 1.11 C ATOM 594 NH1 ARG A 39 -2.822 -12.017 2.573 1.00 35.52 N ATOM 595 NH2 ARG A 39 -0.684 -12.238 3.374 1.00 11.24 N ATOM 0 H ARG A 39 -5.421 -9.294 -2.512 1.00 44.24 H new ATOM 0 HA ARG A 39 -2.560 -8.788 -2.313 1.00 1.10 H new ATOM 0 HB2 ARG A 39 -4.111 -9.601 -0.433 1.00 52.24 H new ATOM 0 HB3 ARG A 39 -4.179 -11.138 -1.272 1.00 52.24 H new ATOM 0 HG2 ARG A 39 -2.299 -11.756 -0.220 1.00 12.23 H new ATOM 0 HG3 ARG A 39 -1.426 -10.515 -1.096 1.00 12.23 H new ATOM 0 HD2 ARG A 39 -1.622 -8.945 0.654 1.00 53.45 H new ATOM 0 HD3 ARG A 39 -3.003 -9.757 1.366 1.00 53.45 H new ATOM 0 HE ARG A 39 -0.170 -10.374 1.808 1.00 62.15 H new ATOM 0 HH11 ARG A 39 -3.494 -11.554 1.960 1.00 35.52 H new ATOM 0 HH12 ARG A 39 -3.127 -12.775 3.183 1.00 35.52 H new ATOM 0 HH21 ARG A 39 0.293 -11.945 3.379 1.00 11.24 H new ATOM 0 HH22 ARG A 39 -0.992 -12.996 3.983 1.00 11.24 H new ATOM 609 N ILE A 40 -1.626 -10.423 -3.908 1.00 53.41 N ATOM 610 CA ILE A 40 -1.068 -11.315 -4.916 1.00 13.30 C ATOM 611 C ILE A 40 0.285 -11.864 -4.476 1.00 73.30 C ATOM 612 O ILE A 40 1.015 -11.242 -3.703 1.00 24.31 O ATOM 613 CB ILE A 40 -0.903 -10.601 -6.272 1.00 42.03 C ATOM 614 CG1 ILE A 40 0.291 -9.645 -6.226 1.00 21.45 C ATOM 615 CG2 ILE A 40 -2.177 -9.852 -6.633 1.00 54.22 C ATOM 616 CD1 ILE A 40 0.426 -8.790 -7.467 1.00 75.24 C ATOM 0 H ILE A 40 -0.974 -9.721 -3.558 1.00 53.41 H new ATOM 0 HA ILE A 40 -1.772 -12.139 -5.032 1.00 13.30 H new ATOM 0 HB ILE A 40 -0.715 -11.349 -7.042 1.00 42.03 H new ATOM 0 HG12 ILE A 40 0.194 -8.996 -5.356 1.00 21.45 H new ATOM 0 HG13 ILE A 40 1.205 -10.224 -6.091 1.00 21.45 H new ATOM 0 HG21 ILE A 40 -2.046 -9.353 -7.593 1.00 54.22 H new ATOM 0 HG22 ILE A 40 -3.006 -10.556 -6.701 1.00 54.22 H new ATOM 0 HG23 ILE A 40 -2.393 -9.110 -5.864 1.00 54.22 H new ATOM 0 HD11 ILE A 40 1.293 -8.137 -7.366 1.00 75.24 H new ATOM 0 HD12 ILE A 40 0.555 -9.432 -8.339 1.00 75.24 H new ATOM 0 HD13 ILE A 40 -0.472 -8.185 -7.591 1.00 75.24 H new ATOM 628 N PRO A 41 0.632 -13.058 -4.981 1.00 62.25 N ATOM 629 CA PRO A 41 1.900 -13.717 -4.656 1.00 54.41 C ATOM 630 C PRO A 41 3.099 -13.000 -5.268 1.00 54.14 C ATOM 631 O PRO A 41 2.965 -12.277 -6.255 1.00 55.03 O ATOM 632 CB PRO A 41 1.742 -15.112 -5.266 1.00 12.10 C ATOM 633 CG PRO A 41 0.756 -14.933 -6.368 1.00 61.35 C ATOM 634 CD PRO A 41 -0.187 -13.856 -5.908 1.00 60.12 C ATOM 0 HA PRO A 41 2.092 -13.726 -3.583 1.00 54.41 H new ATOM 0 HB2 PRO A 41 2.693 -15.490 -5.643 1.00 12.10 H new ATOM 0 HB3 PRO A 41 1.384 -15.829 -4.527 1.00 12.10 H new ATOM 0 HG2 PRO A 41 1.254 -14.646 -7.294 1.00 61.35 H new ATOM 0 HG3 PRO A 41 0.221 -15.861 -6.568 1.00 61.35 H new ATOM 0 HD2 PRO A 41 -0.549 -13.256 -6.743 1.00 60.12 H new ATOM 0 HD3 PRO A 41 -1.063 -14.274 -5.412 1.00 60.12 H new ATOM 642 N ALA A 42 4.271 -13.205 -4.675 1.00 40.32 N ATOM 643 CA ALA A 42 5.494 -12.581 -5.164 1.00 42.10 C ATOM 644 C ALA A 42 5.892 -13.143 -6.524 1.00 33.11 C ATOM 645 O ALA A 42 6.758 -12.594 -7.204 1.00 13.32 O ATOM 646 CB ALA A 42 6.621 -12.772 -4.161 1.00 53.42 C ATOM 0 H ALA A 42 4.399 -13.798 -3.855 1.00 40.32 H new ATOM 0 HA ALA A 42 5.305 -11.514 -5.283 1.00 42.10 H new ATOM 0 HB1 ALA A 42 7.528 -12.301 -4.539 1.00 53.42 H new ATOM 0 HB2 ALA A 42 6.344 -12.315 -3.211 1.00 53.42 H new ATOM 0 HB3 ALA A 42 6.800 -13.837 -4.013 1.00 53.42 H new ATOM 652 N SER A 43 5.255 -14.243 -6.914 1.00 50.44 N ATOM 653 CA SER A 43 5.547 -14.883 -8.191 1.00 32.42 C ATOM 654 C SER A 43 4.903 -14.117 -9.342 1.00 15.44 C ATOM 655 O SER A 43 5.477 -14.001 -10.425 1.00 53.33 O ATOM 656 CB SER A 43 5.050 -16.330 -8.186 1.00 71.31 C ATOM 657 OG SER A 43 6.127 -17.240 -8.320 1.00 74.30 O ATOM 0 H SER A 43 4.534 -14.709 -6.364 1.00 50.44 H new ATOM 0 HA SER A 43 6.628 -14.878 -8.333 1.00 32.42 H new ATOM 0 HB2 SER A 43 4.514 -16.530 -7.258 1.00 71.31 H new ATOM 0 HB3 SER A 43 4.342 -16.477 -9.001 1.00 71.31 H new ATOM 0 HG SER A 43 5.783 -18.158 -8.312 1.00 74.30 H new ATOM 663 N VAL A 44 3.705 -13.593 -9.100 1.00 42.22 N ATOM 664 CA VAL A 44 2.983 -12.836 -10.115 1.00 2.12 C ATOM 665 C VAL A 44 3.286 -11.345 -10.008 1.00 74.33 C ATOM 666 O VAL A 44 3.267 -10.625 -11.006 1.00 30.13 O ATOM 667 CB VAL A 44 1.461 -13.048 -9.996 1.00 75.35 C ATOM 668 CG1 VAL A 44 0.922 -12.363 -8.750 1.00 71.21 C ATOM 669 CG2 VAL A 44 0.754 -12.541 -11.243 1.00 14.41 C ATOM 0 H VAL A 44 3.215 -13.679 -8.210 1.00 42.22 H new ATOM 0 HA VAL A 44 3.320 -13.204 -11.084 1.00 2.12 H new ATOM 0 HB VAL A 44 1.266 -14.117 -9.906 1.00 75.35 H new ATOM 0 HG11 VAL A 44 -0.154 -12.524 -8.683 1.00 71.21 H new ATOM 0 HG12 VAL A 44 1.407 -12.780 -7.867 1.00 71.21 H new ATOM 0 HG13 VAL A 44 1.126 -11.294 -8.805 1.00 71.21 H new ATOM 0 HG21 VAL A 44 -0.320 -12.699 -11.142 1.00 14.41 H new ATOM 0 HG22 VAL A 44 0.954 -11.477 -11.368 1.00 14.41 H new ATOM 0 HG23 VAL A 44 1.120 -13.084 -12.115 1.00 14.41 H new ATOM 679 N VAL A 45 3.566 -10.890 -8.792 1.00 51.41 N ATOM 680 CA VAL A 45 3.876 -9.485 -8.555 1.00 15.34 C ATOM 681 C VAL A 45 5.075 -9.039 -9.385 1.00 42.52 C ATOM 682 O VAL A 45 5.222 -7.858 -9.697 1.00 52.41 O ATOM 683 CB VAL A 45 4.169 -9.218 -7.066 1.00 71.01 C ATOM 684 CG1 VAL A 45 5.638 -9.464 -6.758 1.00 20.03 C ATOM 685 CG2 VAL A 45 3.767 -7.800 -6.691 1.00 51.21 C ATOM 0 H VAL A 45 3.585 -11.473 -7.955 1.00 51.41 H new ATOM 0 HA VAL A 45 2.998 -8.913 -8.853 1.00 15.34 H new ATOM 0 HB VAL A 45 3.577 -9.910 -6.467 1.00 71.01 H new ATOM 0 HG11 VAL A 45 5.826 -9.270 -5.702 1.00 20.03 H new ATOM 0 HG12 VAL A 45 5.889 -10.500 -6.987 1.00 20.03 H new ATOM 0 HG13 VAL A 45 6.253 -8.799 -7.364 1.00 20.03 H new ATOM 0 HG21 VAL A 45 3.981 -7.628 -5.636 1.00 51.21 H new ATOM 0 HG22 VAL A 45 4.331 -7.090 -7.296 1.00 51.21 H new ATOM 0 HG23 VAL A 45 2.701 -7.664 -6.872 1.00 51.21 H new ATOM 695 N GLY A 46 5.930 -9.993 -9.741 1.00 32.13 N ATOM 696 CA GLY A 46 7.105 -9.678 -10.533 1.00 43.11 C ATOM 697 C GLY A 46 6.927 -10.026 -11.997 1.00 13.23 C ATOM 698 O GLY A 46 7.906 -10.196 -12.725 1.00 20.12 O ATOM 0 H GLY A 46 5.830 -10.978 -9.495 1.00 32.13 H new ATOM 0 HA2 GLY A 46 7.328 -8.615 -10.440 1.00 43.11 H new ATOM 0 HA3 GLY A 46 7.963 -10.220 -10.136 1.00 43.11 H new ATOM 702 N SER A 47 5.675 -10.135 -12.431 1.00 40.31 N ATOM 703 CA SER A 47 5.373 -10.470 -13.817 1.00 61.22 C ATOM 704 C SER A 47 4.288 -9.553 -14.374 1.00 13.31 C ATOM 705 O SER A 47 4.353 -9.128 -15.528 1.00 75.22 O ATOM 706 CB SER A 47 4.926 -11.930 -13.925 1.00 14.24 C ATOM 707 OG SER A 47 4.961 -12.375 -15.270 1.00 74.14 O ATOM 0 H SER A 47 4.854 -9.996 -11.842 1.00 40.31 H new ATOM 0 HA SER A 47 6.280 -10.330 -14.405 1.00 61.22 H new ATOM 0 HB2 SER A 47 5.574 -12.558 -13.314 1.00 14.24 H new ATOM 0 HB3 SER A 47 3.915 -12.035 -13.530 1.00 14.24 H new ATOM 0 HG SER A 47 4.673 -13.311 -15.313 1.00 74.14 H new ATOM 713 N ILE A 48 3.295 -9.251 -13.546 1.00 21.31 N ATOM 714 CA ILE A 48 2.197 -8.383 -13.955 1.00 60.20 C ATOM 715 C ILE A 48 2.689 -6.965 -14.227 1.00 71.44 C ATOM 716 O ILE A 48 2.024 -6.188 -14.910 1.00 1.23 O ATOM 717 CB ILE A 48 1.091 -8.334 -12.885 1.00 21.23 C ATOM 718 CG1 ILE A 48 1.655 -7.819 -11.559 1.00 62.42 C ATOM 719 CG2 ILE A 48 0.468 -9.710 -12.703 1.00 61.51 C ATOM 720 CD1 ILE A 48 1.489 -6.328 -11.371 1.00 44.35 C ATOM 0 H ILE A 48 3.227 -9.594 -12.588 1.00 21.31 H new ATOM 0 HA ILE A 48 1.786 -8.804 -14.872 1.00 60.20 H new ATOM 0 HB ILE A 48 0.314 -7.646 -13.219 1.00 21.23 H new ATOM 0 HG12 ILE A 48 1.161 -8.338 -10.737 1.00 62.42 H new ATOM 0 HG13 ILE A 48 2.715 -8.068 -11.503 1.00 62.42 H new ATOM 0 HG21 ILE A 48 -0.312 -9.659 -11.943 1.00 61.51 H new ATOM 0 HG22 ILE A 48 0.034 -10.041 -13.647 1.00 61.51 H new ATOM 0 HG23 ILE A 48 1.235 -10.418 -12.388 1.00 61.51 H new ATOM 0 HD11 ILE A 48 1.911 -6.033 -10.410 1.00 44.35 H new ATOM 0 HD12 ILE A 48 2.007 -5.800 -12.172 1.00 44.35 H new ATOM 0 HD13 ILE A 48 0.429 -6.074 -11.395 1.00 44.35 H new ATOM 805 N TRP A 54 -2.603 -2.239 -12.970 1.00 64.12 N ATOM 806 CA TRP A 54 -3.043 -3.597 -12.668 1.00 11.50 C ATOM 807 C TRP A 54 -4.535 -3.629 -12.354 1.00 10.10 C ATOM 808 O TRP A 54 -5.064 -2.716 -11.720 1.00 23.04 O ATOM 809 CB TRP A 54 -2.248 -4.161 -11.489 1.00 64.42 C ATOM 810 CG TRP A 54 -2.607 -5.579 -11.156 1.00 4.51 C ATOM 811 CD1 TRP A 54 -1.913 -6.702 -11.502 1.00 1.32 C ATOM 812 CD2 TRP A 54 -3.746 -6.022 -10.412 1.00 24.25 C ATOM 813 NE1 TRP A 54 -2.552 -7.818 -11.018 1.00 21.41 N ATOM 814 CE2 TRP A 54 -3.680 -7.427 -10.345 1.00 71.15 C ATOM 815 CE3 TRP A 54 -4.817 -5.368 -9.794 1.00 55.23 C ATOM 816 CZ2 TRP A 54 -4.643 -8.188 -9.687 1.00 1.31 C ATOM 817 CZ3 TRP A 54 -5.771 -6.124 -9.141 1.00 61.35 C ATOM 818 CH2 TRP A 54 -5.679 -7.522 -9.090 1.00 24.15 C ATOM 0 HA TRP A 54 -2.863 -4.215 -13.548 1.00 11.50 H new ATOM 0 HB2 TRP A 54 -1.184 -4.107 -11.718 1.00 64.42 H new ATOM 0 HB3 TRP A 54 -2.417 -3.535 -10.613 1.00 64.42 H new ATOM 0 HD1 TRP A 54 -0.996 -6.712 -12.073 1.00 1.32 H new ATOM 0 HE1 TRP A 54 -2.238 -8.781 -11.140 1.00 21.41 H new ATOM 0 HE3 TRP A 54 -4.897 -4.291 -9.827 1.00 55.23 H new ATOM 0 HZ2 TRP A 54 -4.575 -9.265 -9.649 1.00 1.31 H new ATOM 0 HZ3 TRP A 54 -6.603 -5.629 -8.661 1.00 61.35 H new ATOM 0 HH2 TRP A 54 -6.440 -8.084 -8.570 1.00 24.15 H new ATOM 829 N ILE A 55 -5.206 -4.685 -12.800 1.00 3.21 N ATOM 830 CA ILE A 55 -6.637 -4.834 -12.565 1.00 53.14 C ATOM 831 C ILE A 55 -6.959 -6.212 -11.997 1.00 61.54 C ATOM 832 O ILE A 55 -6.096 -7.090 -11.940 1.00 65.32 O ATOM 833 CB ILE A 55 -7.446 -4.621 -13.857 1.00 75.33 C ATOM 834 CG1 ILE A 55 -6.772 -5.338 -15.030 1.00 11.35 C ATOM 835 CG2 ILE A 55 -7.595 -3.137 -14.152 1.00 44.53 C ATOM 836 CD1 ILE A 55 -7.461 -5.105 -16.356 1.00 60.41 C ATOM 0 H ILE A 55 -4.782 -5.450 -13.326 1.00 3.21 H new ATOM 0 HA ILE A 55 -6.919 -4.070 -11.841 1.00 53.14 H new ATOM 0 HB ILE A 55 -8.441 -5.044 -13.719 1.00 75.33 H new ATOM 0 HG12 ILE A 55 -5.737 -5.004 -15.104 1.00 11.35 H new ATOM 0 HG13 ILE A 55 -6.747 -6.408 -14.826 1.00 11.35 H new ATOM 0 HG21 ILE A 55 -8.169 -3.004 -15.069 1.00 44.53 H new ATOM 0 HG22 ILE A 55 -8.114 -2.652 -13.325 1.00 44.53 H new ATOM 0 HG23 ILE A 55 -6.609 -2.689 -14.274 1.00 44.53 H new ATOM 0 HD11 ILE A 55 -6.930 -5.643 -17.141 1.00 60.41 H new ATOM 0 HD12 ILE A 55 -8.488 -5.465 -16.301 1.00 60.41 H new ATOM 0 HD13 ILE A 55 -7.462 -4.039 -16.583 1.00 60.41 H new ATOM 848 N CYS A 56 -8.207 -6.398 -11.580 1.00 24.35 N ATOM 849 CA CYS A 56 -8.645 -7.669 -11.019 1.00 63.44 C ATOM 850 C CYS A 56 -8.514 -8.792 -12.045 1.00 44.35 C ATOM 851 O CYS A 56 -7.916 -9.832 -11.768 1.00 21.32 O ATOM 852 CB CYS A 56 -10.096 -7.568 -10.542 1.00 52.13 C ATOM 853 SG CYS A 56 -10.395 -6.220 -9.353 1.00 71.11 S ATOM 0 H CYS A 56 -8.933 -5.683 -11.620 1.00 24.35 H new ATOM 0 HA CYS A 56 -8.004 -7.901 -10.168 1.00 63.44 H new ATOM 0 HB2 CYS A 56 -10.743 -7.425 -11.408 1.00 52.13 H new ATOM 0 HB3 CYS A 56 -10.383 -8.514 -10.083 1.00 52.13 H new ATOM 0 HG CYS A 56 -11.216 -5.357 -9.873 1.00 71.11 H new ATOM 858 N MET A 57 -9.075 -8.571 -13.229 1.00 75.35 N ATOM 859 CA MET A 57 -9.019 -9.564 -14.296 1.00 33.52 C ATOM 860 C MET A 57 -7.573 -9.894 -14.656 1.00 25.14 C ATOM 861 O MET A 57 -7.293 -10.943 -15.235 1.00 5.32 O ATOM 862 CB MET A 57 -9.762 -9.055 -15.534 1.00 13.41 C ATOM 863 CG MET A 57 -9.265 -7.706 -16.028 1.00 22.52 C ATOM 864 SD MET A 57 -10.609 -6.545 -16.343 1.00 13.03 S ATOM 865 CE MET A 57 -11.037 -6.063 -14.673 1.00 25.44 C ATOM 0 H MET A 57 -9.573 -7.715 -13.474 1.00 75.35 H new ATOM 0 HA MET A 57 -9.502 -10.473 -13.939 1.00 33.52 H new ATOM 0 HB2 MET A 57 -9.660 -9.787 -16.336 1.00 13.41 H new ATOM 0 HB3 MET A 57 -10.825 -8.980 -15.305 1.00 13.41 H new ATOM 0 HG2 MET A 57 -8.587 -7.280 -15.288 1.00 22.52 H new ATOM 0 HG3 MET A 57 -8.690 -7.848 -16.943 1.00 22.52 H new ATOM 0 HE1 MET A 57 -11.453 -5.055 -14.680 1.00 25.44 H new ATOM 0 HE2 MET A 57 -11.775 -6.757 -14.272 1.00 25.44 H new ATOM 0 HE3 MET A 57 -10.144 -6.082 -14.048 1.00 25.44 H new ATOM 875 N ASN A 58 -6.661 -8.991 -14.311 1.00 4.23 N ATOM 876 CA ASN A 58 -5.245 -9.187 -14.599 1.00 10.14 C ATOM 877 C ASN A 58 -4.595 -10.078 -13.546 1.00 12.53 C ATOM 878 O ASN A 58 -3.452 -10.507 -13.702 1.00 13.00 O ATOM 879 CB ASN A 58 -4.525 -7.838 -14.658 1.00 74.52 C ATOM 880 CG ASN A 58 -4.402 -7.310 -16.075 1.00 52.03 C ATOM 881 OD1 ASN A 58 -3.348 -6.818 -16.476 1.00 12.10 O ATOM 882 ND2 ASN A 58 -5.484 -7.410 -16.839 1.00 60.21 N ATOM 0 H ASN A 58 -6.877 -8.117 -13.832 1.00 4.23 H new ATOM 0 HA ASN A 58 -5.160 -9.679 -15.568 1.00 10.14 H new ATOM 0 HB2 ASN A 58 -5.066 -7.114 -14.049 1.00 74.52 H new ATOM 0 HB3 ASN A 58 -3.531 -7.941 -14.224 1.00 74.52 H new ATOM 0 HD21 ASN A 58 -5.462 -7.071 -17.801 1.00 60.21 H new ATOM 0 HD22 ASN A 58 -6.337 -7.826 -16.464 1.00 60.21 H new ATOM 889 N ASN A 59 -5.330 -10.353 -12.474 1.00 3.33 N ATOM 890 CA ASN A 59 -4.825 -11.192 -11.395 1.00 61.25 C ATOM 891 C ASN A 59 -4.364 -12.545 -11.929 1.00 74.13 C ATOM 892 O ASN A 59 -4.747 -12.955 -13.024 1.00 63.15 O ATOM 893 CB ASN A 59 -5.904 -11.394 -10.329 1.00 1.51 C ATOM 894 CG ASN A 59 -5.333 -11.892 -9.015 1.00 0.30 C ATOM 895 OD1 ASN A 59 -4.118 -11.898 -8.816 1.00 32.00 O ATOM 896 ND2 ASN A 59 -6.210 -12.313 -8.111 1.00 4.25 N ATOM 0 H ASN A 59 -6.278 -10.006 -12.330 1.00 3.33 H new ATOM 0 HA ASN A 59 -3.970 -10.687 -10.946 1.00 61.25 H new ATOM 0 HB2 ASN A 59 -6.426 -10.452 -10.161 1.00 1.51 H new ATOM 0 HB3 ASN A 59 -6.643 -12.107 -10.694 1.00 1.51 H new ATOM 0 HD21 ASN A 59 -5.885 -12.659 -7.208 1.00 4.25 H new ATOM 0 HD22 ASN A 59 -7.208 -12.290 -8.319 1.00 4.25 H new ATOM 903 N SER A 60 -3.537 -13.234 -11.147 1.00 4.33 N ATOM 904 CA SER A 60 -3.021 -14.539 -11.542 1.00 31.50 C ATOM 905 C SER A 60 -4.030 -15.640 -11.229 1.00 13.10 C ATOM 906 O SER A 60 -4.040 -16.689 -11.873 1.00 13.21 O ATOM 907 CB SER A 60 -1.699 -14.825 -10.828 1.00 74.11 C ATOM 908 OG SER A 60 -0.748 -15.383 -11.719 1.00 14.14 O ATOM 0 H SER A 60 -3.211 -12.909 -10.237 1.00 4.33 H new ATOM 0 HA SER A 60 -2.849 -14.524 -12.618 1.00 31.50 H new ATOM 0 HB2 SER A 60 -1.305 -13.902 -10.402 1.00 74.11 H new ATOM 0 HB3 SER A 60 -1.871 -15.511 -9.999 1.00 74.11 H new ATOM 0 HG SER A 60 0.089 -15.555 -11.239 1.00 14.14 H new ATOM 914 N ASP A 61 -4.877 -15.392 -10.237 1.00 70.44 N ATOM 915 CA ASP A 61 -5.891 -16.361 -9.838 1.00 73.44 C ATOM 916 C ASP A 61 -6.940 -16.531 -10.932 1.00 62.33 C ATOM 917 O ASP A 61 -6.812 -15.974 -12.022 1.00 22.53 O ATOM 918 CB ASP A 61 -6.561 -15.923 -8.535 1.00 61.33 C ATOM 919 CG ASP A 61 -6.806 -17.084 -7.591 1.00 51.44 C ATOM 920 OD1 ASP A 61 -6.923 -18.229 -8.075 1.00 72.14 O ATOM 921 OD2 ASP A 61 -6.878 -16.847 -6.366 1.00 63.31 O ATOM 0 H ASP A 61 -4.882 -14.528 -9.694 1.00 70.44 H new ATOM 0 HA ASP A 61 -5.399 -17.321 -9.679 1.00 73.44 H new ATOM 0 HB2 ASP A 61 -5.935 -15.181 -8.039 1.00 61.33 H new ATOM 0 HB3 ASP A 61 -7.510 -15.438 -8.763 1.00 61.33 H new ATOM 926 N LYS A 62 -7.979 -17.305 -10.633 1.00 11.10 N ATOM 927 CA LYS A 62 -9.052 -17.549 -11.591 1.00 52.35 C ATOM 928 C LYS A 62 -10.408 -17.191 -10.990 1.00 11.14 C ATOM 929 O LYS A 62 -11.286 -16.675 -11.681 1.00 35.24 O ATOM 930 CB LYS A 62 -9.048 -19.015 -12.029 1.00 71.01 C ATOM 931 CG LYS A 62 -8.975 -19.997 -10.872 1.00 3.24 C ATOM 932 CD LYS A 62 -7.735 -20.870 -10.959 1.00 15.11 C ATOM 933 CE LYS A 62 -7.456 -21.573 -9.640 1.00 51.24 C ATOM 934 NZ LYS A 62 -6.915 -22.946 -9.847 1.00 31.34 N ATOM 0 H LYS A 62 -8.101 -17.774 -9.735 1.00 11.10 H new ATOM 0 HA LYS A 62 -8.880 -16.916 -12.461 1.00 52.35 H new ATOM 0 HB2 LYS A 62 -9.950 -19.215 -12.607 1.00 71.01 H new ATOM 0 HB3 LYS A 62 -8.200 -19.185 -12.692 1.00 71.01 H new ATOM 0 HG2 LYS A 62 -8.971 -19.450 -9.929 1.00 3.24 H new ATOM 0 HG3 LYS A 62 -9.865 -20.626 -10.871 1.00 3.24 H new ATOM 0 HD2 LYS A 62 -7.865 -21.611 -11.747 1.00 15.11 H new ATOM 0 HD3 LYS A 62 -6.876 -20.258 -11.235 1.00 15.11 H new ATOM 0 HE2 LYS A 62 -6.745 -20.986 -9.059 1.00 51.24 H new ATOM 0 HE3 LYS A 62 -8.375 -21.629 -9.057 1.00 51.24 H new ATOM 0 HZ1 LYS A 62 -6.738 -23.392 -8.924 1.00 31.34 H new ATOM 0 HZ2 LYS A 62 -7.604 -23.514 -10.380 1.00 31.34 H new ATOM 0 HZ3 LYS A 62 -6.025 -22.891 -10.382 1.00 31.34 H new ATOM 948 N ARG A 63 -10.570 -17.465 -9.700 1.00 13.03 N ATOM 949 CA ARG A 63 -11.819 -17.171 -9.007 1.00 33.33 C ATOM 950 C ARG A 63 -11.797 -15.762 -8.423 1.00 2.24 C ATOM 951 O ARG A 63 -12.843 -15.197 -8.097 1.00 55.32 O ATOM 952 CB ARG A 63 -12.063 -18.192 -7.896 1.00 61.13 C ATOM 953 CG ARG A 63 -13.008 -19.313 -8.297 1.00 71.15 C ATOM 954 CD ARG A 63 -12.307 -20.352 -9.158 1.00 0.04 C ATOM 955 NE ARG A 63 -13.223 -20.989 -10.102 1.00 12.20 N ATOM 956 CZ ARG A 63 -12.948 -22.120 -10.741 1.00 20.42 C ATOM 957 NH1 ARG A 63 -11.792 -22.736 -10.540 1.00 73.43 N ATOM 958 NH2 ARG A 63 -13.833 -22.638 -11.584 1.00 70.21 N ATOM 0 H ARG A 63 -9.852 -17.890 -9.113 1.00 13.03 H new ATOM 0 HA ARG A 63 -12.631 -17.233 -9.731 1.00 33.33 H new ATOM 0 HB2 ARG A 63 -11.109 -18.623 -7.594 1.00 61.13 H new ATOM 0 HB3 ARG A 63 -12.470 -17.679 -7.025 1.00 61.13 H new ATOM 0 HG2 ARG A 63 -13.408 -19.790 -7.402 1.00 71.15 H new ATOM 0 HG3 ARG A 63 -13.855 -18.898 -8.843 1.00 71.15 H new ATOM 0 HD2 ARG A 63 -11.493 -19.879 -9.706 1.00 0.04 H new ATOM 0 HD3 ARG A 63 -11.860 -21.112 -8.517 1.00 0.04 H new ATOM 0 HE ARG A 63 -14.122 -20.541 -10.280 1.00 12.20 H new ATOM 0 HH11 ARG A 63 -11.110 -22.342 -9.892 1.00 73.43 H new ATOM 0 HH12 ARG A 63 -11.585 -23.605 -11.033 1.00 73.43 H new ATOM 0 HH21 ARG A 63 -14.724 -22.167 -11.741 1.00 70.21 H new ATOM 0 HH22 ARG A 63 -13.622 -23.507 -12.075 1.00 70.21 H new ATOM 972 N PHE A 64 -10.601 -15.199 -8.291 1.00 71.24 N ATOM 973 CA PHE A 64 -10.442 -13.857 -7.744 1.00 1.31 C ATOM 974 C PHE A 64 -9.822 -12.919 -8.775 1.00 20.44 C ATOM 975 O PHE A 64 -9.273 -11.873 -8.428 1.00 64.31 O ATOM 976 CB PHE A 64 -9.573 -13.896 -6.485 1.00 12.42 C ATOM 977 CG PHE A 64 -10.354 -14.132 -5.225 1.00 52.45 C ATOM 978 CD1 PHE A 64 -11.227 -15.203 -5.125 1.00 72.13 C ATOM 979 CD2 PHE A 64 -10.215 -13.283 -4.138 1.00 62.02 C ATOM 980 CE1 PHE A 64 -11.947 -15.424 -3.966 1.00 11.20 C ATOM 981 CE2 PHE A 64 -10.932 -13.500 -2.977 1.00 2.41 C ATOM 982 CZ PHE A 64 -11.800 -14.570 -2.890 1.00 13.34 C ATOM 0 H PHE A 64 -9.726 -15.652 -8.556 1.00 71.24 H new ATOM 0 HA PHE A 64 -11.430 -13.479 -7.483 1.00 1.31 H new ATOM 0 HB2 PHE A 64 -8.826 -14.683 -6.593 1.00 12.42 H new ATOM 0 HB3 PHE A 64 -9.033 -12.954 -6.397 1.00 12.42 H new ATOM 0 HD1 PHE A 64 -11.346 -15.874 -5.963 1.00 72.13 H new ATOM 0 HD2 PHE A 64 -9.539 -12.443 -4.199 1.00 62.02 H new ATOM 0 HE1 PHE A 64 -12.624 -16.263 -3.902 1.00 11.20 H new ATOM 0 HE2 PHE A 64 -10.813 -12.832 -2.137 1.00 2.41 H new ATOM 0 HZ PHE A 64 -12.362 -14.739 -1.984 1.00 13.34 H new ATOM 992 N ALA A 65 -9.915 -13.301 -10.045 1.00 44.43 N ATOM 993 CA ALA A 65 -9.365 -12.494 -11.127 1.00 33.13 C ATOM 994 C ALA A 65 -10.475 -11.842 -11.944 1.00 30.04 C ATOM 995 O ALA A 65 -10.714 -12.214 -13.092 1.00 24.12 O ATOM 996 CB ALA A 65 -8.479 -13.346 -12.023 1.00 14.11 C ATOM 0 H ALA A 65 -10.366 -14.164 -10.349 1.00 44.43 H new ATOM 0 HA ALA A 65 -8.761 -11.701 -10.685 1.00 33.13 H new ATOM 0 HB1 ALA A 65 -8.075 -12.730 -12.827 1.00 14.11 H new ATOM 0 HB2 ALA A 65 -7.659 -13.760 -11.436 1.00 14.11 H new ATOM 0 HB3 ALA A 65 -9.067 -14.159 -12.449 1.00 14.11 H new ATOM 1002 N ASP A 66 -11.150 -10.866 -11.344 1.00 71.12 N ATOM 1003 CA ASP A 66 -12.235 -10.162 -12.016 1.00 14.21 C ATOM 1004 C ASP A 66 -12.801 -9.060 -11.126 1.00 62.44 C ATOM 1005 O ASP A 66 -12.890 -9.216 -9.908 1.00 24.41 O ATOM 1006 CB ASP A 66 -13.343 -11.141 -12.406 1.00 25.21 C ATOM 1007 CG ASP A 66 -13.304 -11.505 -13.876 1.00 34.24 C ATOM 1008 OD1 ASP A 66 -13.241 -10.582 -14.715 1.00 45.20 O ATOM 1009 OD2 ASP A 66 -13.336 -12.714 -14.190 1.00 24.42 O ATOM 0 H ASP A 66 -10.964 -10.545 -10.394 1.00 71.12 H new ATOM 0 HA ASP A 66 -11.833 -9.703 -12.919 1.00 14.21 H new ATOM 0 HB2 ASP A 66 -13.250 -12.047 -11.808 1.00 25.21 H new ATOM 0 HB3 ASP A 66 -14.312 -10.701 -12.169 1.00 25.21 H new ATOM 1014 N CYS A 67 -13.181 -7.945 -11.742 1.00 72.45 N ATOM 1015 CA CYS A 67 -13.738 -6.817 -11.007 1.00 42.34 C ATOM 1016 C CYS A 67 -15.053 -7.201 -10.333 1.00 0.10 C ATOM 1017 O CYS A 67 -15.446 -6.605 -9.331 1.00 43.22 O ATOM 1018 CB CYS A 67 -13.960 -5.629 -11.945 1.00 21.44 C ATOM 1019 SG CYS A 67 -12.592 -4.427 -11.960 1.00 74.42 S ATOM 0 H CYS A 67 -13.113 -7.799 -12.749 1.00 72.45 H new ATOM 0 HA CYS A 67 -13.024 -6.532 -10.234 1.00 42.34 H new ATOM 0 HB2 CYS A 67 -14.112 -6.003 -12.958 1.00 21.44 H new ATOM 0 HB3 CYS A 67 -14.877 -5.116 -11.654 1.00 21.44 H new ATOM 0 HG CYS A 67 -12.434 -3.934 -10.767 1.00 74.42 H new ATOM 1024 N SER A 68 -15.728 -8.200 -10.893 1.00 51.13 N ATOM 1025 CA SER A 68 -17.000 -8.661 -10.349 1.00 73.44 C ATOM 1026 C SER A 68 -16.794 -9.374 -9.015 1.00 32.43 C ATOM 1027 O SER A 68 -17.694 -9.415 -8.176 1.00 54.31 O ATOM 1028 CB SER A 68 -17.691 -9.600 -11.340 1.00 35.12 C ATOM 1029 OG SER A 68 -17.109 -9.500 -12.629 1.00 13.21 O ATOM 0 H SER A 68 -15.416 -8.705 -11.722 1.00 51.13 H new ATOM 0 HA SER A 68 -17.633 -7.790 -10.182 1.00 73.44 H new ATOM 0 HB2 SER A 68 -17.618 -10.627 -10.983 1.00 35.12 H new ATOM 0 HB3 SER A 68 -18.752 -9.357 -11.397 1.00 35.12 H new ATOM 0 HG SER A 68 -17.567 -10.111 -13.243 1.00 13.21 H new ATOM 1035 N LYS A 69 -15.604 -9.934 -8.829 1.00 43.21 N ATOM 1036 CA LYS A 69 -15.277 -10.644 -7.597 1.00 2.34 C ATOM 1037 C LYS A 69 -15.209 -9.682 -6.416 1.00 10.24 C ATOM 1038 O LYS A 69 -15.079 -8.470 -6.597 1.00 65.34 O ATOM 1039 CB LYS A 69 -13.944 -11.379 -7.747 1.00 72.40 C ATOM 1040 CG LYS A 69 -13.875 -12.267 -8.978 1.00 73.05 C ATOM 1041 CD LYS A 69 -14.935 -13.356 -8.942 1.00 44.33 C ATOM 1042 CE LYS A 69 -14.807 -14.298 -10.128 1.00 62.11 C ATOM 1043 NZ LYS A 69 -15.490 -15.598 -9.879 1.00 20.34 N ATOM 0 H LYS A 69 -14.850 -9.910 -9.515 1.00 43.21 H new ATOM 0 HA LYS A 69 -16.066 -11.371 -7.405 1.00 2.34 H new ATOM 0 HB2 LYS A 69 -13.138 -10.647 -7.792 1.00 72.40 H new ATOM 0 HB3 LYS A 69 -13.773 -11.988 -6.860 1.00 72.40 H new ATOM 0 HG2 LYS A 69 -14.007 -11.660 -9.873 1.00 73.05 H new ATOM 0 HG3 LYS A 69 -12.887 -12.722 -9.044 1.00 73.05 H new ATOM 0 HD2 LYS A 69 -14.845 -13.922 -8.015 1.00 44.33 H new ATOM 0 HD3 LYS A 69 -15.926 -12.901 -8.943 1.00 44.33 H new ATOM 0 HE2 LYS A 69 -15.234 -13.827 -11.014 1.00 62.11 H new ATOM 0 HE3 LYS A 69 -13.752 -14.476 -10.338 1.00 62.11 H new ATOM 0 HZ1 LYS A 69 -15.380 -16.213 -10.711 1.00 20.34 H new ATOM 0 HZ2 LYS A 69 -15.066 -16.059 -9.049 1.00 20.34 H new ATOM 0 HZ3 LYS A 69 -16.501 -15.431 -9.703 1.00 20.34 H new ATOM 1057 N SER A 70 -15.295 -10.228 -5.207 1.00 34.14 N ATOM 1058 CA SER A 70 -15.244 -9.416 -3.996 1.00 74.42 C ATOM 1059 C SER A 70 -13.801 -9.118 -3.602 1.00 0.44 C ATOM 1060 O SER A 70 -12.862 -9.632 -4.209 1.00 61.31 O ATOM 1061 CB SER A 70 -15.961 -10.131 -2.849 1.00 12.10 C ATOM 1062 OG SER A 70 -16.350 -11.440 -3.227 1.00 51.34 O ATOM 0 H SER A 70 -15.400 -11.229 -5.040 1.00 34.14 H new ATOM 0 HA SER A 70 -15.749 -8.471 -4.199 1.00 74.42 H new ATOM 0 HB2 SER A 70 -15.305 -10.180 -1.980 1.00 12.10 H new ATOM 0 HB3 SER A 70 -16.840 -9.559 -2.552 1.00 12.10 H new ATOM 0 HG SER A 70 -16.804 -11.876 -2.476 1.00 51.34 H new ATOM 1068 N GLN A 71 -13.634 -8.282 -2.582 1.00 11.13 N ATOM 1069 CA GLN A 71 -12.305 -7.913 -2.108 1.00 62.15 C ATOM 1070 C GLN A 71 -11.675 -9.053 -1.314 1.00 62.32 C ATOM 1071 O GLN A 71 -12.376 -9.926 -0.802 1.00 42.43 O ATOM 1072 CB GLN A 71 -12.381 -6.654 -1.242 1.00 62.35 C ATOM 1073 CG GLN A 71 -11.020 -6.095 -0.862 1.00 3.52 C ATOM 1074 CD GLN A 71 -11.097 -4.668 -0.355 1.00 21.12 C ATOM 1075 OE1 GLN A 71 -12.136 -4.016 -0.457 1.00 31.15 O ATOM 1076 NE2 GLN A 71 -9.994 -4.174 0.196 1.00 73.14 N ATOM 0 H GLN A 71 -14.401 -7.848 -2.069 1.00 11.13 H new ATOM 0 HA GLN A 71 -11.679 -7.710 -2.977 1.00 62.15 H new ATOM 0 HB2 GLN A 71 -12.943 -5.888 -1.777 1.00 62.35 H new ATOM 0 HB3 GLN A 71 -12.938 -6.881 -0.333 1.00 62.35 H new ATOM 0 HG2 GLN A 71 -10.574 -6.726 -0.094 1.00 3.52 H new ATOM 0 HG3 GLN A 71 -10.360 -6.134 -1.729 1.00 3.52 H new ATOM 0 HE21 GLN A 71 -9.154 -4.749 0.260 1.00 73.14 H new ATOM 0 HE22 GLN A 71 -9.987 -3.219 0.555 1.00 73.14 H new ATOM 1085 N GLU A 72 -10.350 -9.038 -1.217 1.00 42.43 N ATOM 1086 CA GLU A 72 -9.626 -10.072 -0.486 1.00 42.14 C ATOM 1087 C GLU A 72 -9.785 -9.886 1.021 1.00 21.04 C ATOM 1088 O GLU A 72 -10.059 -10.840 1.749 1.00 32.32 O ATOM 1089 CB GLU A 72 -8.143 -10.049 -0.859 1.00 11.12 C ATOM 1090 CG GLU A 72 -7.813 -10.876 -2.091 1.00 15.45 C ATOM 1091 CD GLU A 72 -7.487 -12.318 -1.755 1.00 12.24 C ATOM 1092 OE1 GLU A 72 -8.038 -12.835 -0.762 1.00 72.12 O ATOM 1093 OE2 GLU A 72 -6.681 -12.929 -2.488 1.00 75.14 O ATOM 0 H GLU A 72 -9.756 -8.322 -1.635 1.00 42.43 H new ATOM 0 HA GLU A 72 -10.048 -11.038 -0.763 1.00 42.14 H new ATOM 0 HB2 GLU A 72 -7.836 -9.017 -1.031 1.00 11.12 H new ATOM 0 HB3 GLU A 72 -7.559 -10.419 -0.016 1.00 11.12 H new ATOM 0 HG2 GLU A 72 -8.658 -10.849 -2.779 1.00 15.45 H new ATOM 0 HG3 GLU A 72 -6.966 -10.427 -2.609 1.00 15.45 H new ATOM 1100 N MET A 73 -9.611 -8.652 1.480 1.00 4.25 N ATOM 1101 CA MET A 73 -9.736 -8.339 2.899 1.00 23.51 C ATOM 1102 C MET A 73 -10.297 -6.935 3.101 1.00 34.42 C ATOM 1103 O MET A 73 -10.458 -6.178 2.143 1.00 14.01 O ATOM 1104 CB MET A 73 -8.377 -8.462 3.592 1.00 62.51 C ATOM 1105 CG MET A 73 -8.093 -9.855 4.130 1.00 61.21 C ATOM 1106 SD MET A 73 -6.340 -10.272 4.089 1.00 4.41 S ATOM 1107 CE MET A 73 -5.612 -8.725 4.624 1.00 50.21 C ATOM 0 H MET A 73 -9.383 -7.852 0.890 1.00 4.25 H new ATOM 0 HA MET A 73 -10.429 -9.054 3.342 1.00 23.51 H new ATOM 0 HB2 MET A 73 -7.593 -8.187 2.887 1.00 62.51 H new ATOM 0 HB3 MET A 73 -8.332 -7.748 4.414 1.00 62.51 H new ATOM 0 HG2 MET A 73 -8.455 -9.925 5.156 1.00 61.21 H new ATOM 0 HG3 MET A 73 -8.650 -10.587 3.545 1.00 61.21 H new ATOM 0 HE1 MET A 73 -4.526 -8.812 4.616 1.00 50.21 H new ATOM 0 HE2 MET A 73 -5.917 -7.926 3.948 1.00 50.21 H new ATOM 0 HE3 MET A 73 -5.950 -8.494 5.634 1.00 50.21 H new ATOM 1117 N SER A 74 -10.594 -6.594 4.350 1.00 72.14 N ATOM 1118 CA SER A 74 -11.141 -5.283 4.675 1.00 44.02 C ATOM 1119 C SER A 74 -10.030 -4.244 4.793 1.00 70.33 C ATOM 1120 O SER A 74 -8.848 -4.585 4.819 1.00 61.21 O ATOM 1121 CB SER A 74 -11.934 -5.347 5.982 1.00 20.12 C ATOM 1122 OG SER A 74 -13.330 -5.326 5.734 1.00 75.52 O ATOM 0 H SER A 74 -10.465 -7.208 5.154 1.00 72.14 H new ATOM 0 HA SER A 74 -11.809 -4.986 3.866 1.00 44.02 H new ATOM 0 HB2 SER A 74 -11.672 -6.254 6.526 1.00 20.12 H new ATOM 0 HB3 SER A 74 -11.662 -4.504 6.618 1.00 20.12 H new ATOM 0 HG SER A 74 -13.814 -5.370 6.585 1.00 75.52 H new ATOM 1128 N ASN A 75 -10.419 -2.975 4.862 1.00 62.23 N ATOM 1129 CA ASN A 75 -9.457 -1.886 4.976 1.00 2.53 C ATOM 1130 C ASN A 75 -8.611 -2.037 6.237 1.00 4.52 C ATOM 1131 O ASN A 75 -7.396 -1.847 6.207 1.00 53.14 O ATOM 1132 CB ASN A 75 -10.180 -0.538 4.992 1.00 64.42 C ATOM 1133 CG ASN A 75 -9.835 0.318 3.788 1.00 64.34 C ATOM 1134 OD1 ASN A 75 -9.554 1.509 3.919 1.00 63.23 O ATOM 1135 ND2 ASN A 75 -9.856 -0.288 2.606 1.00 25.01 N ATOM 0 H ASN A 75 -11.394 -2.676 4.841 1.00 62.23 H new ATOM 0 HA ASN A 75 -8.797 -1.926 4.110 1.00 2.53 H new ATOM 0 HB2 ASN A 75 -11.257 -0.707 5.018 1.00 64.42 H new ATOM 0 HB3 ASN A 75 -9.920 0.000 5.903 1.00 64.42 H new ATOM 0 HD21 ASN A 75 -9.633 0.236 1.760 1.00 25.01 H new ATOM 0 HD22 ASN A 75 -10.095 -1.278 2.545 1.00 25.01 H new ATOM 1142 N GLU A 76 -9.264 -2.379 7.343 1.00 53.44 N ATOM 1143 CA GLU A 76 -8.571 -2.555 8.615 1.00 15.15 C ATOM 1144 C GLU A 76 -7.527 -3.665 8.517 1.00 4.44 C ATOM 1145 O GLU A 76 -6.381 -3.489 8.928 1.00 13.41 O ATOM 1146 CB GLU A 76 -9.572 -2.878 9.726 1.00 34.23 C ATOM 1147 CG GLU A 76 -10.487 -4.047 9.401 1.00 35.12 C ATOM 1148 CD GLU A 76 -11.891 -3.857 9.938 1.00 65.11 C ATOM 1149 OE1 GLU A 76 -12.494 -2.800 9.661 1.00 24.52 O ATOM 1150 OE2 GLU A 76 -12.387 -4.767 10.636 1.00 3.43 O ATOM 0 H GLU A 76 -10.270 -2.540 7.385 1.00 53.44 H new ATOM 0 HA GLU A 76 -8.062 -1.621 8.855 1.00 15.15 H new ATOM 0 HB2 GLU A 76 -9.025 -3.099 10.643 1.00 34.23 H new ATOM 0 HB3 GLU A 76 -10.180 -1.995 9.923 1.00 34.23 H new ATOM 0 HG2 GLU A 76 -10.531 -4.179 8.320 1.00 35.12 H new ATOM 0 HG3 GLU A 76 -10.064 -4.961 9.817 1.00 35.12 H new ATOM 1157 N GLU A 77 -7.935 -4.805 7.970 1.00 22.12 N ATOM 1158 CA GLU A 77 -7.036 -5.943 7.820 1.00 52.22 C ATOM 1159 C GLU A 77 -5.837 -5.578 6.948 1.00 20.22 C ATOM 1160 O GLU A 77 -4.702 -5.950 7.248 1.00 62.00 O ATOM 1161 CB GLU A 77 -7.781 -7.133 7.211 1.00 52.31 C ATOM 1162 CG GLU A 77 -7.362 -8.474 7.790 1.00 24.14 C ATOM 1163 CD GLU A 77 -8.136 -8.834 9.043 1.00 52.32 C ATOM 1164 OE1 GLU A 77 -9.357 -8.579 9.080 1.00 52.11 O ATOM 1165 OE2 GLU A 77 -7.519 -9.372 9.987 1.00 50.40 O ATOM 0 H GLU A 77 -8.881 -4.965 7.624 1.00 22.12 H new ATOM 0 HA GLU A 77 -6.673 -6.219 8.810 1.00 52.22 H new ATOM 0 HB2 GLU A 77 -8.852 -6.998 7.366 1.00 52.31 H new ATOM 0 HB3 GLU A 77 -7.613 -7.143 6.134 1.00 52.31 H new ATOM 0 HG2 GLU A 77 -7.509 -9.251 7.040 1.00 24.14 H new ATOM 0 HG3 GLU A 77 -6.297 -8.450 8.019 1.00 24.14 H new ATOM 1172 N ILE A 78 -6.100 -4.850 5.868 1.00 53.33 N ATOM 1173 CA ILE A 78 -5.043 -4.435 4.953 1.00 25.13 C ATOM 1174 C ILE A 78 -4.104 -3.434 5.617 1.00 52.41 C ATOM 1175 O ILE A 78 -2.887 -3.619 5.622 1.00 34.23 O ATOM 1176 CB ILE A 78 -5.623 -3.805 3.672 1.00 63.43 C ATOM 1177 CG1 ILE A 78 -6.543 -4.800 2.962 1.00 21.51 C ATOM 1178 CG2 ILE A 78 -4.501 -3.358 2.747 1.00 65.45 C ATOM 1179 CD1 ILE A 78 -7.623 -4.138 2.134 1.00 70.34 C ATOM 0 H ILE A 78 -7.034 -4.536 5.605 1.00 53.33 H new ATOM 0 HA ILE A 78 -4.485 -5.333 4.687 1.00 25.13 H new ATOM 0 HB ILE A 78 -6.210 -2.929 3.948 1.00 63.43 H new ATOM 0 HG12 ILE A 78 -5.943 -5.441 2.316 1.00 21.51 H new ATOM 0 HG13 ILE A 78 -7.011 -5.445 3.706 1.00 21.51 H new ATOM 0 HG21 ILE A 78 -4.927 -2.915 1.847 1.00 65.45 H new ATOM 0 HG22 ILE A 78 -3.882 -2.620 3.257 1.00 65.45 H new ATOM 0 HG23 ILE A 78 -3.890 -4.218 2.474 1.00 65.45 H new ATOM 0 HD11 ILE A 78 -8.238 -4.903 1.659 1.00 70.34 H new ATOM 0 HD12 ILE A 78 -8.247 -3.519 2.778 1.00 70.34 H new ATOM 0 HD13 ILE A 78 -7.163 -3.515 1.367 1.00 70.34 H new ATOM 1191 N ASN A 79 -4.677 -2.374 6.178 1.00 54.32 N ATOM 1192 CA ASN A 79 -3.890 -1.344 6.847 1.00 12.11 C ATOM 1193 C ASN A 79 -2.961 -1.959 7.889 1.00 63.44 C ATOM 1194 O ASN A 79 -1.788 -1.600 7.978 1.00 44.21 O ATOM 1195 CB ASN A 79 -4.811 -0.319 7.510 1.00 23.52 C ATOM 1196 CG ASN A 79 -4.567 -0.203 9.002 1.00 60.31 C ATOM 1197 OD1 ASN A 79 -3.697 0.547 9.444 1.00 10.14 O ATOM 1198 ND2 ASN A 79 -5.337 -0.948 9.787 1.00 21.33 N ATOM 0 H ASN A 79 -5.683 -2.206 6.183 1.00 54.32 H new ATOM 0 HA ASN A 79 -3.281 -0.842 6.095 1.00 12.11 H new ATOM 0 HB2 ASN A 79 -4.662 0.655 7.043 1.00 23.52 H new ATOM 0 HB3 ASN A 79 -5.849 -0.601 7.335 1.00 23.52 H new ATOM 0 HD21 ASN A 79 -5.219 -0.912 10.800 1.00 21.33 H new ATOM 0 HD22 ASN A 79 -6.046 -1.556 9.377 1.00 21.33 H new ATOM 1205 N GLU A 80 -3.496 -2.889 8.674 1.00 74.04 N ATOM 1206 CA GLU A 80 -2.714 -3.555 9.710 1.00 2.31 C ATOM 1207 C GLU A 80 -1.782 -4.599 9.103 1.00 64.40 C ATOM 1208 O GLU A 80 -0.728 -4.904 9.661 1.00 22.55 O ATOM 1209 CB GLU A 80 -3.641 -4.216 10.734 1.00 12.13 C ATOM 1210 CG GLU A 80 -3.966 -5.664 10.414 1.00 73.52 C ATOM 1211 CD GLU A 80 -2.937 -6.630 10.970 1.00 72.31 C ATOM 1212 OE1 GLU A 80 -2.576 -6.491 12.157 1.00 61.15 O ATOM 1213 OE2 GLU A 80 -2.493 -7.523 10.218 1.00 40.03 O ATOM 0 H GLU A 80 -4.466 -3.198 8.613 1.00 74.04 H new ATOM 0 HA GLU A 80 -2.108 -2.801 10.212 1.00 2.31 H new ATOM 0 HB2 GLU A 80 -3.176 -4.166 11.718 1.00 12.13 H new ATOM 0 HB3 GLU A 80 -4.570 -3.648 10.791 1.00 12.13 H new ATOM 0 HG2 GLU A 80 -4.947 -5.911 10.820 1.00 73.52 H new ATOM 0 HG3 GLU A 80 -4.028 -5.788 9.333 1.00 73.52 H new ATOM 1220 N GLU A 81 -2.180 -5.145 7.958 1.00 11.52 N ATOM 1221 CA GLU A 81 -1.381 -6.155 7.276 1.00 33.22 C ATOM 1222 C GLU A 81 -0.035 -5.583 6.840 1.00 32.31 C ATOM 1223 O GLU A 81 1.020 -6.132 7.161 1.00 20.11 O ATOM 1224 CB GLU A 81 -2.135 -6.698 6.060 1.00 14.44 C ATOM 1225 CG GLU A 81 -1.306 -7.637 5.199 1.00 12.42 C ATOM 1226 CD GLU A 81 -0.564 -8.676 6.016 1.00 42.35 C ATOM 1227 OE1 GLU A 81 -1.223 -9.605 6.531 1.00 10.54 O ATOM 1228 OE2 GLU A 81 0.673 -8.562 6.142 1.00 61.21 O ATOM 0 H GLU A 81 -3.051 -4.905 7.484 1.00 11.52 H new ATOM 0 HA GLU A 81 -1.199 -6.970 7.976 1.00 33.22 H new ATOM 0 HB2 GLU A 81 -3.027 -7.224 6.401 1.00 14.44 H new ATOM 0 HB3 GLU A 81 -2.472 -5.861 5.449 1.00 14.44 H new ATOM 0 HG2 GLU A 81 -1.958 -8.140 4.485 1.00 12.42 H new ATOM 0 HG3 GLU A 81 -0.589 -7.055 4.621 1.00 12.42 H new ATOM 1235 N LEU A 82 -0.079 -4.476 6.106 1.00 43.21 N ATOM 1236 CA LEU A 82 1.135 -3.828 5.625 1.00 51.21 C ATOM 1237 C LEU A 82 1.748 -2.947 6.709 1.00 53.44 C ATOM 1238 O LEU A 82 2.962 -2.751 6.751 1.00 11.42 O ATOM 1239 CB LEU A 82 0.832 -2.990 4.381 1.00 41.45 C ATOM 1240 CG LEU A 82 0.047 -3.693 3.273 1.00 43.22 C ATOM 1241 CD1 LEU A 82 -1.389 -3.192 3.236 1.00 54.42 C ATOM 1242 CD2 LEU A 82 0.723 -3.482 1.926 1.00 62.42 C ATOM 0 H LEU A 82 -0.943 -4.009 5.831 1.00 43.21 H new ATOM 0 HA LEU A 82 1.853 -4.605 5.365 1.00 51.21 H new ATOM 0 HB2 LEU A 82 0.274 -2.106 4.690 1.00 41.45 H new ATOM 0 HB3 LEU A 82 1.776 -2.640 3.964 1.00 41.45 H new ATOM 0 HG LEU A 82 0.031 -4.762 3.486 1.00 43.22 H new ATOM 0 HD11 LEU A 82 -1.932 -3.703 2.441 1.00 54.42 H new ATOM 0 HD12 LEU A 82 -1.870 -3.395 4.193 1.00 54.42 H new ATOM 0 HD13 LEU A 82 -1.395 -2.119 3.047 1.00 54.42 H new ATOM 0 HD21 LEU A 82 0.151 -3.989 1.149 1.00 62.42 H new ATOM 0 HD22 LEU A 82 0.769 -2.416 1.705 1.00 62.42 H new ATOM 0 HD23 LEU A 82 1.733 -3.890 1.958 1.00 62.42 H new ATOM 1254 N GLY A 83 0.900 -2.419 7.586 1.00 72.25 N ATOM 1255 CA GLY A 83 1.377 -1.568 8.660 1.00 5.22 C ATOM 1256 C GLY A 83 1.333 -0.097 8.296 1.00 64.25 C ATOM 1257 O GLY A 83 2.181 0.682 8.731 1.00 11.24 O ATOM 0 H GLY A 83 -0.109 -2.566 7.572 1.00 72.25 H new ATOM 0 HA2 GLY A 83 0.771 -1.737 9.550 1.00 5.22 H new ATOM 0 HA3 GLY A 83 2.400 -1.846 8.913 1.00 5.22 H new ATOM 1261 N ILE A 84 0.343 0.284 7.496 1.00 63.44 N ATOM 1262 CA ILE A 84 0.193 1.671 7.074 1.00 70.42 C ATOM 1263 C ILE A 84 -0.944 2.354 7.826 1.00 22.32 C ATOM 1264 O ILE A 84 -1.530 1.780 8.743 1.00 73.54 O ATOM 1265 CB ILE A 84 -0.074 1.773 5.560 1.00 72.34 C ATOM 1266 CG1 ILE A 84 -1.409 1.114 5.210 1.00 62.00 C ATOM 1267 CG2 ILE A 84 1.061 1.129 4.779 1.00 73.10 C ATOM 1268 CD1 ILE A 84 -1.806 1.286 3.761 1.00 32.25 C ATOM 0 H ILE A 84 -0.367 -0.348 7.127 1.00 63.44 H new ATOM 0 HA ILE A 84 1.132 2.174 7.304 1.00 70.42 H new ATOM 0 HB ILE A 84 -0.127 2.826 5.285 1.00 72.34 H new ATOM 0 HG12 ILE A 84 -1.351 0.050 5.438 1.00 62.00 H new ATOM 0 HG13 ILE A 84 -2.190 1.534 5.844 1.00 62.00 H new ATOM 0 HG21 ILE A 84 0.859 1.209 3.711 1.00 73.10 H new ATOM 0 HG22 ILE A 84 1.997 1.638 5.010 1.00 73.10 H new ATOM 0 HG23 ILE A 84 1.142 0.078 5.056 1.00 73.10 H new ATOM 0 HD11 ILE A 84 -2.762 0.794 3.585 1.00 32.25 H new ATOM 0 HD12 ILE A 84 -1.897 2.348 3.532 1.00 32.25 H new ATOM 0 HD13 ILE A 84 -1.045 0.841 3.120 1.00 32.25 H new ATOM 1280 N GLY A 85 -1.253 3.584 7.430 1.00 3.24 N ATOM 1281 CA GLY A 85 -2.320 4.326 8.076 1.00 34.54 C ATOM 1282 C GLY A 85 -3.456 4.653 7.126 1.00 44.31 C ATOM 1283 O GLY A 85 -3.636 5.808 6.739 1.00 23.13 O ATOM 0 H GLY A 85 -0.783 4.081 6.673 1.00 3.24 H new ATOM 0 HA2 GLY A 85 -2.707 3.746 8.914 1.00 34.54 H new ATOM 0 HA3 GLY A 85 -1.917 5.251 8.488 1.00 34.54 H new ATOM 1287 N GLN A 86 -4.223 3.635 6.749 1.00 14.20 N ATOM 1288 CA GLN A 86 -5.345 3.822 5.837 1.00 60.25 C ATOM 1289 C GLN A 86 -6.442 4.657 6.487 1.00 64.13 C ATOM 1290 O GLN A 86 -6.638 4.605 7.701 1.00 64.01 O ATOM 1291 CB GLN A 86 -5.908 2.466 5.405 1.00 13.43 C ATOM 1292 CG GLN A 86 -5.017 1.721 4.423 1.00 44.34 C ATOM 1293 CD GLN A 86 -5.705 0.521 3.806 1.00 73.51 C ATOM 1294 OE1 GLN A 86 -6.872 0.247 4.086 1.00 1.14 O ATOM 1295 NE2 GLN A 86 -4.984 -0.205 2.959 1.00 32.35 N ATOM 0 H GLN A 86 -4.088 2.673 7.061 1.00 14.20 H new ATOM 0 HA GLN A 86 -4.982 4.355 4.958 1.00 60.25 H new ATOM 0 HB2 GLN A 86 -6.058 1.846 6.289 1.00 13.43 H new ATOM 0 HB3 GLN A 86 -6.888 2.617 4.951 1.00 13.43 H new ATOM 0 HG2 GLN A 86 -4.705 2.403 3.632 1.00 44.34 H new ATOM 0 HG3 GLN A 86 -4.113 1.393 4.936 1.00 44.34 H new ATOM 0 HE21 GLN A 86 -4.020 0.058 2.755 1.00 32.35 H new ATOM 0 HE22 GLN A 86 -5.395 -1.025 2.513 1.00 32.35 H new