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 144:sc= 0.343 USER MOD Set 1.2: A 34 CYS SG : rot -56:sc= 0.589 USER MOD Set 1.3: A 56 CYS SG : rot 116:sc= 0.109 USER MOD Set 1.4: A 57 MET CE :methyl 150:sc= -1.66 (180deg=-2.03!) USER MOD Set 1.5: A 67 CYS SG : rot -63:sc= 0.284 USER MOD Single : A 26 SER OG : rot 25:sc= 0.173 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=-0.99) USER MOD Single : A 59 ASN : amide:sc= 0.308 K(o=0.31,f=-3.6!) 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= 0.109 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00431 USER MOD Single : A 71 GLN : amide:sc= -2.8 K(o=-2.8,f=-4.5!) USER MOD Single : A 73 MET CE :methyl -124:sc= -3.79! (180deg=-5.18!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.038) USER MOD Single : A 79 ASN : amide:sc= -0.704 K(o=-0.7,f=0.66) USER MOD Single : A 86 GLN : amide:sc= -2.11 X(o=-2.1,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.473 -12.274 -0.460 1.00 44.42 N ATOM 367 CA SER A 26 3.215 -11.771 -1.002 1.00 31.43 C ATOM 368 C SER A 26 3.222 -10.246 -1.065 1.00 55.14 C ATOM 369 O SER A 26 3.707 -9.579 -0.151 1.00 43.03 O ATOM 370 CB SER A 26 2.039 -12.252 -0.149 1.00 70.32 C ATOM 371 OG SER A 26 2.086 -13.657 0.037 1.00 0.44 O ATOM 0 HA SER A 26 3.103 -12.159 -2.014 1.00 31.43 H new ATOM 0 HB2 SER A 26 2.060 -11.753 0.820 1.00 70.32 H new ATOM 0 HB3 SER A 26 1.100 -11.977 -0.630 1.00 70.32 H new ATOM 0 HG SER A 26 3.010 -13.969 -0.058 1.00 0.44 H new ATOM 377 N ALA A 27 2.680 -9.703 -2.150 1.00 15.23 N ATOM 378 CA ALA A 27 2.622 -8.258 -2.332 1.00 12.43 C ATOM 379 C ALA A 27 1.181 -7.782 -2.488 1.00 24.20 C ATOM 380 O ALA A 27 0.291 -8.567 -2.816 1.00 3.34 O ATOM 381 CB ALA A 27 3.450 -7.844 -3.540 1.00 14.22 C ATOM 0 H ALA A 27 2.275 -10.242 -2.916 1.00 15.23 H new ATOM 0 HA ALA A 27 3.039 -7.788 -1.441 1.00 12.43 H new ATOM 0 HB1 ALA A 27 3.397 -6.762 -3.664 1.00 14.22 H new ATOM 0 HB2 ALA A 27 4.488 -8.142 -3.389 1.00 14.22 H new ATOM 0 HB3 ALA A 27 3.059 -8.331 -4.433 1.00 14.22 H new ATOM 387 N TRP A 28 0.959 -6.495 -2.250 1.00 21.51 N ATOM 388 CA TRP A 28 -0.374 -5.916 -2.365 1.00 12.53 C ATOM 389 C TRP A 28 -0.519 -5.133 -3.666 1.00 72.02 C ATOM 390 O TRP A 28 0.362 -4.357 -4.036 1.00 54.23 O ATOM 391 CB TRP A 28 -0.660 -5.001 -1.172 1.00 55.12 C ATOM 392 CG TRP A 28 -1.067 -5.747 0.064 1.00 3.24 C ATOM 393 CD1 TRP A 28 -0.347 -5.877 1.217 1.00 2.34 C ATOM 394 CD2 TRP A 28 -2.288 -6.465 0.267 1.00 2.31 C ATOM 395 NE1 TRP A 28 -1.047 -6.633 2.125 1.00 41.11 N ATOM 396 CE2 TRP A 28 -2.242 -7.006 1.567 1.00 14.21 C ATOM 397 CE3 TRP A 28 -3.418 -6.703 -0.521 1.00 34.52 C ATOM 398 CZ2 TRP A 28 -3.280 -7.769 2.093 1.00 3.14 C ATOM 399 CZ3 TRP A 28 -4.447 -7.461 0.003 1.00 43.13 C ATOM 400 CH2 TRP A 28 -4.373 -7.986 1.300 1.00 41.23 C ATOM 0 H TRP A 28 1.685 -5.832 -1.976 1.00 21.51 H new ATOM 0 HA TRP A 28 -1.097 -6.732 -2.371 1.00 12.53 H new ATOM 0 HB2 TRP A 28 0.230 -4.410 -0.955 1.00 55.12 H new ATOM 0 HB3 TRP A 28 -1.450 -4.300 -1.442 1.00 55.12 H new ATOM 0 HD1 TRP A 28 0.629 -5.448 1.389 1.00 2.34 H new ATOM 0 HE1 TRP A 28 -0.729 -6.877 3.063 1.00 41.11 H new ATOM 0 HE3 TRP A 28 -3.485 -6.301 -1.521 1.00 34.52 H new ATOM 0 HZ2 TRP A 28 -3.225 -8.175 3.092 1.00 3.14 H new ATOM 0 HZ3 TRP A 28 -5.324 -7.652 -0.598 1.00 43.13 H new ATOM 0 HH2 TRP A 28 -5.195 -8.574 1.681 1.00 41.23 H new ATOM 411 N VAL A 29 -1.636 -5.343 -4.355 1.00 25.42 N ATOM 412 CA VAL A 29 -1.895 -4.656 -5.615 1.00 44.43 C ATOM 413 C VAL A 29 -3.276 -4.008 -5.614 1.00 15.11 C ATOM 414 O VAL A 29 -4.255 -4.611 -5.174 1.00 54.21 O ATOM 415 CB VAL A 29 -1.795 -5.620 -6.812 1.00 72.44 C ATOM 416 CG1 VAL A 29 -0.343 -5.982 -7.085 1.00 25.30 C ATOM 417 CG2 VAL A 29 -2.625 -6.870 -6.560 1.00 51.43 C ATOM 0 H VAL A 29 -2.375 -5.982 -4.063 1.00 25.42 H new ATOM 0 HA VAL A 29 -1.133 -3.883 -5.716 1.00 44.43 H new ATOM 0 HB VAL A 29 -2.193 -5.119 -7.694 1.00 72.44 H new ATOM 0 HG11 VAL A 29 -0.291 -6.664 -7.934 1.00 25.30 H new ATOM 0 HG12 VAL A 29 0.221 -5.077 -7.311 1.00 25.30 H new ATOM 0 HG13 VAL A 29 0.083 -6.465 -6.206 1.00 25.30 H new ATOM 0 HG21 VAL A 29 -2.543 -7.540 -7.416 1.00 51.43 H new ATOM 0 HG22 VAL A 29 -2.259 -7.376 -5.667 1.00 51.43 H new ATOM 0 HG23 VAL A 29 -3.669 -6.591 -6.417 1.00 51.43 H new ATOM 427 N ARG A 30 -3.346 -2.777 -6.109 1.00 1.20 N ATOM 428 CA ARG A 30 -4.607 -2.047 -6.164 1.00 4.13 C ATOM 429 C ARG A 30 -5.125 -1.963 -7.597 1.00 21.25 C ATOM 430 O ARG A 30 -4.354 -1.753 -8.536 1.00 31.20 O ATOM 431 CB ARG A 30 -4.432 -0.640 -5.590 1.00 24.22 C ATOM 432 CG ARG A 30 -5.724 0.158 -5.529 1.00 13.04 C ATOM 433 CD ARG A 30 -5.567 1.521 -6.185 1.00 4.22 C ATOM 434 NE ARG A 30 -5.274 1.412 -7.612 1.00 53.11 N ATOM 435 CZ ARG A 30 -5.013 2.456 -8.390 1.00 21.43 C ATOM 436 NH1 ARG A 30 -5.008 3.681 -7.883 1.00 41.52 N ATOM 437 NH2 ARG A 30 -4.755 2.276 -9.679 1.00 65.32 N ATOM 0 H ARG A 30 -2.545 -2.264 -6.478 1.00 1.20 H new ATOM 0 HA ARG A 30 -5.338 -2.589 -5.563 1.00 4.13 H new ATOM 0 HB2 ARG A 30 -4.014 -0.716 -4.586 1.00 24.22 H new ATOM 0 HB3 ARG A 30 -3.708 -0.097 -6.197 1.00 24.22 H new ATOM 0 HG2 ARG A 30 -6.520 -0.397 -6.026 1.00 13.04 H new ATOM 0 HG3 ARG A 30 -6.026 0.286 -4.489 1.00 13.04 H new ATOM 0 HD2 ARG A 30 -6.481 2.098 -6.046 1.00 4.22 H new ATOM 0 HD3 ARG A 30 -4.765 2.071 -5.691 1.00 4.22 H new ATOM 0 HE ARG A 30 -5.270 0.483 -8.034 1.00 53.11 H new ATOM 0 HH11 ARG A 30 -5.205 3.824 -6.892 1.00 41.52 H new ATOM 0 HH12 ARG A 30 -4.807 4.481 -8.483 1.00 41.52 H new ATOM 0 HH21 ARG A 30 -4.757 1.335 -10.073 1.00 65.32 H new ATOM 0 HH22 ARG A 30 -4.555 3.078 -10.276 1.00 65.32 H new ATOM 451 N CYS A 31 -6.433 -2.127 -7.759 1.00 1.13 N ATOM 452 CA CYS A 31 -7.054 -2.070 -9.077 1.00 31.31 C ATOM 453 C CYS A 31 -7.190 -0.626 -9.553 1.00 50.22 C ATOM 454 O CYS A 31 -7.497 0.271 -8.767 1.00 20.10 O ATOM 455 CB CYS A 31 -8.430 -2.740 -9.045 1.00 22.35 C ATOM 456 SG CYS A 31 -9.255 -2.819 -10.667 1.00 61.34 S ATOM 0 H CYS A 31 -7.084 -2.301 -6.993 1.00 1.13 H new ATOM 0 HA CYS A 31 -6.412 -2.606 -9.777 1.00 31.31 H new ATOM 0 HB2 CYS A 31 -8.321 -3.752 -8.655 1.00 22.35 H new ATOM 0 HB3 CYS A 31 -9.070 -2.198 -8.349 1.00 22.35 H new ATOM 0 HG CYS A 31 -9.910 -3.937 -10.767 1.00 61.34 H new ATOM 461 N ASP A 32 -6.961 -0.410 -10.844 1.00 35.01 N ATOM 462 CA ASP A 32 -7.059 0.923 -11.424 1.00 24.10 C ATOM 463 C ASP A 32 -8.396 1.110 -12.135 1.00 72.33 C ATOM 464 O ASP A 32 -8.470 1.751 -13.183 1.00 64.21 O ATOM 465 CB ASP A 32 -5.909 1.161 -12.405 1.00 51.12 C ATOM 466 CG ASP A 32 -5.620 2.635 -12.612 1.00 43.43 C ATOM 467 OD1 ASP A 32 -6.556 3.449 -12.468 1.00 53.33 O ATOM 468 OD2 ASP A 32 -4.458 2.975 -12.919 1.00 54.23 O ATOM 0 H ASP A 32 -6.706 -1.141 -11.508 1.00 35.01 H new ATOM 0 HA ASP A 32 -6.993 1.650 -10.615 1.00 24.10 H new ATOM 0 HB2 ASP A 32 -5.011 0.666 -12.035 1.00 51.12 H new ATOM 0 HB3 ASP A 32 -6.153 0.703 -13.364 1.00 51.12 H new ATOM 473 N ASP A 33 -9.450 0.544 -11.557 1.00 70.23 N ATOM 474 CA ASP A 33 -10.785 0.648 -12.134 1.00 70.35 C ATOM 475 C ASP A 33 -11.847 0.708 -11.040 1.00 63.15 C ATOM 476 O ASP A 33 -12.792 1.493 -11.120 1.00 2.23 O ATOM 477 CB ASP A 33 -11.057 -0.538 -13.061 1.00 71.52 C ATOM 478 CG ASP A 33 -12.177 -0.260 -14.043 1.00 43.53 C ATOM 479 OD1 ASP A 33 -12.504 0.927 -14.251 1.00 22.21 O ATOM 480 OD2 ASP A 33 -12.729 -1.230 -14.604 1.00 53.12 O ATOM 0 H ASP A 33 -9.406 0.009 -10.690 1.00 70.23 H new ATOM 0 HA ASP A 33 -10.833 1.570 -12.713 1.00 70.35 H new ATOM 0 HB2 ASP A 33 -10.148 -0.782 -13.611 1.00 71.52 H new ATOM 0 HB3 ASP A 33 -11.311 -1.413 -12.462 1.00 71.52 H new ATOM 485 N CYS A 34 -11.686 -0.128 -10.020 1.00 32.32 N ATOM 486 CA CYS A 34 -12.631 -0.173 -8.910 1.00 22.43 C ATOM 487 C CYS A 34 -11.950 0.221 -7.601 1.00 64.15 C ATOM 488 O CYS A 34 -12.615 0.493 -6.601 1.00 64.11 O ATOM 489 CB CYS A 34 -13.235 -1.572 -8.783 1.00 32.22 C ATOM 490 SG CYS A 34 -12.036 -2.860 -8.308 1.00 3.42 S ATOM 0 H CYS A 34 -10.909 -0.784 -9.939 1.00 32.32 H new ATOM 0 HA CYS A 34 -13.428 0.541 -9.114 1.00 22.43 H new ATOM 0 HB2 CYS A 34 -14.035 -1.545 -8.043 1.00 32.22 H new ATOM 0 HB3 CYS A 34 -13.690 -1.847 -9.734 1.00 32.22 H new ATOM 0 HG CYS A 34 -11.051 -2.870 -9.156 1.00 3.42 H new ATOM 495 N PHE A 35 -10.622 0.249 -7.617 1.00 53.42 N ATOM 496 CA PHE A 35 -9.852 0.607 -6.431 1.00 24.02 C ATOM 497 C PHE A 35 -10.074 -0.404 -5.311 1.00 54.34 C ATOM 498 O PHE A 35 -10.777 -0.126 -4.338 1.00 71.15 O ATOM 499 CB PHE A 35 -10.237 2.009 -5.953 1.00 74.42 C ATOM 500 CG PHE A 35 -10.248 3.035 -7.049 1.00 35.24 C ATOM 501 CD1 PHE A 35 -9.072 3.406 -7.682 1.00 53.43 C ATOM 502 CD2 PHE A 35 -11.435 3.629 -7.447 1.00 14.13 C ATOM 503 CE1 PHE A 35 -9.080 4.349 -8.692 1.00 15.34 C ATOM 504 CE2 PHE A 35 -11.448 4.574 -8.456 1.00 62.44 C ATOM 505 CZ PHE A 35 -10.268 4.935 -9.079 1.00 54.55 C ATOM 0 H PHE A 35 -10.057 0.028 -8.437 1.00 53.42 H new ATOM 0 HA PHE A 35 -8.795 0.598 -6.698 1.00 24.02 H new ATOM 0 HB2 PHE A 35 -11.225 1.969 -5.494 1.00 74.42 H new ATOM 0 HB3 PHE A 35 -9.538 2.324 -5.178 1.00 74.42 H new ATOM 0 HD1 PHE A 35 -8.139 2.953 -7.382 1.00 53.43 H new ATOM 0 HD2 PHE A 35 -12.360 3.351 -6.964 1.00 14.13 H new ATOM 0 HE1 PHE A 35 -8.157 4.627 -9.178 1.00 15.34 H new ATOM 0 HE2 PHE A 35 -12.380 5.030 -8.757 1.00 62.44 H new ATOM 0 HZ PHE A 35 -10.276 5.674 -9.867 1.00 54.55 H new ATOM 515 N LYS A 36 -9.471 -1.580 -5.455 1.00 2.42 N ATOM 516 CA LYS A 36 -9.602 -2.634 -4.456 1.00 70.42 C ATOM 517 C LYS A 36 -8.269 -3.343 -4.236 1.00 44.01 C ATOM 518 O LYS A 36 -7.562 -3.664 -5.192 1.00 30.23 O ATOM 519 CB LYS A 36 -10.665 -3.646 -4.889 1.00 4.11 C ATOM 520 CG LYS A 36 -11.539 -4.135 -3.747 1.00 61.52 C ATOM 521 CD LYS A 36 -12.649 -3.147 -3.431 1.00 21.31 C ATOM 522 CE LYS A 36 -13.545 -3.655 -2.312 1.00 22.21 C ATOM 523 NZ LYS A 36 -14.969 -3.272 -2.526 1.00 34.02 N ATOM 0 H LYS A 36 -8.887 -1.827 -6.254 1.00 2.42 H new ATOM 0 HA LYS A 36 -9.909 -2.174 -3.516 1.00 70.42 H new ATOM 0 HB2 LYS A 36 -11.298 -3.192 -5.651 1.00 4.11 H new ATOM 0 HB3 LYS A 36 -10.173 -4.502 -5.351 1.00 4.11 H new ATOM 0 HG2 LYS A 36 -11.973 -5.100 -4.008 1.00 61.52 H new ATOM 0 HG3 LYS A 36 -10.926 -4.291 -2.859 1.00 61.52 H new ATOM 0 HD2 LYS A 36 -12.214 -2.189 -3.144 1.00 21.31 H new ATOM 0 HD3 LYS A 36 -13.246 -2.971 -4.326 1.00 21.31 H new ATOM 0 HE2 LYS A 36 -13.466 -4.740 -2.248 1.00 22.21 H new ATOM 0 HE3 LYS A 36 -13.200 -3.253 -1.359 1.00 22.21 H new ATOM 0 HZ1 LYS A 36 -15.548 -3.636 -1.743 1.00 34.02 H new ATOM 0 HZ2 LYS A 36 -15.048 -2.236 -2.562 1.00 34.02 H new ATOM 0 HZ3 LYS A 36 -15.306 -3.676 -3.423 1.00 34.02 H new ATOM 537 N TRP A 37 -7.934 -3.584 -2.975 1.00 70.31 N ATOM 538 CA TRP A 37 -6.686 -4.258 -2.630 1.00 25.34 C ATOM 539 C TRP A 37 -6.748 -5.737 -2.992 1.00 42.14 C ATOM 540 O TRP A 37 -7.782 -6.383 -2.827 1.00 51.45 O ATOM 541 CB TRP A 37 -6.390 -4.096 -1.139 1.00 54.12 C ATOM 542 CG TRP A 37 -5.587 -2.871 -0.822 1.00 33.41 C ATOM 543 CD1 TRP A 37 -5.880 -1.918 0.111 1.00 34.01 C ATOM 544 CD2 TRP A 37 -4.360 -2.467 -1.439 1.00 1.24 C ATOM 545 NE1 TRP A 37 -4.909 -0.945 0.111 1.00 61.12 N ATOM 546 CE2 TRP A 37 -3.965 -1.259 -0.830 1.00 62.42 C ATOM 547 CE3 TRP A 37 -3.557 -3.008 -2.446 1.00 74.53 C ATOM 548 CZ2 TRP A 37 -2.803 -0.586 -1.197 1.00 61.32 C ATOM 549 CZ3 TRP A 37 -2.403 -2.339 -2.809 1.00 52.31 C ATOM 550 CH2 TRP A 37 -2.034 -1.139 -2.186 1.00 44.10 C ATOM 0 H TRP A 37 -8.508 -3.323 -2.173 1.00 70.31 H new ATOM 0 HA TRP A 37 -5.882 -3.797 -3.204 1.00 25.34 H new ATOM 0 HB2 TRP A 37 -7.332 -4.056 -0.591 1.00 54.12 H new ATOM 0 HB3 TRP A 37 -5.852 -4.976 -0.785 1.00 54.12 H new ATOM 0 HD1 TRP A 37 -6.747 -1.927 0.754 1.00 34.01 H new ATOM 0 HE1 TRP A 37 -4.894 -0.123 0.714 1.00 61.12 H new ATOM 0 HE3 TRP A 37 -3.833 -3.932 -2.932 1.00 74.53 H new ATOM 0 HZ2 TRP A 37 -2.518 0.339 -0.719 1.00 61.32 H new ATOM 0 HZ3 TRP A 37 -1.775 -2.748 -3.586 1.00 52.31 H new ATOM 0 HH2 TRP A 37 -1.126 -0.641 -2.492 1.00 44.10 H new ATOM 561 N ARG A 38 -5.634 -6.268 -3.487 1.00 53.30 N ATOM 562 CA ARG A 38 -5.563 -7.672 -3.873 1.00 43.42 C ATOM 563 C ARG A 38 -4.219 -8.278 -3.478 1.00 1.41 C ATOM 564 O ARG A 38 -3.164 -7.774 -3.864 1.00 14.11 O ATOM 565 CB ARG A 38 -5.779 -7.820 -5.380 1.00 74.22 C ATOM 566 CG ARG A 38 -6.843 -8.842 -5.746 1.00 0.34 C ATOM 567 CD ARG A 38 -8.231 -8.368 -5.343 1.00 63.15 C ATOM 568 NE ARG A 38 -9.282 -9.053 -6.093 1.00 33.33 N ATOM 569 CZ ARG A 38 -10.515 -8.577 -6.231 1.00 34.22 C ATOM 570 NH1 ARG A 38 -10.850 -7.421 -5.673 1.00 74.32 N ATOM 571 NH2 ARG A 38 -11.415 -9.257 -6.928 1.00 72.23 N ATOM 0 H ARG A 38 -4.769 -5.747 -3.630 1.00 53.30 H new ATOM 0 HA ARG A 38 -6.352 -8.208 -3.346 1.00 43.42 H new ATOM 0 HB2 ARG A 38 -6.059 -6.852 -5.795 1.00 74.22 H new ATOM 0 HB3 ARG A 38 -4.837 -8.106 -5.847 1.00 74.22 H new ATOM 0 HG2 ARG A 38 -6.818 -9.027 -6.820 1.00 0.34 H new ATOM 0 HG3 ARG A 38 -6.624 -9.790 -5.254 1.00 0.34 H new ATOM 0 HD2 ARG A 38 -8.377 -8.538 -4.276 1.00 63.15 H new ATOM 0 HD3 ARG A 38 -8.309 -7.293 -5.508 1.00 63.15 H new ATOM 0 HE ARG A 38 -9.057 -9.945 -6.534 1.00 33.33 H new ATOM 0 HH11 ARG A 38 -10.160 -6.895 -5.136 1.00 74.32 H new ATOM 0 HH12 ARG A 38 -11.797 -7.058 -5.781 1.00 74.32 H new ATOM 0 HH21 ARG A 38 -11.161 -10.146 -7.359 1.00 72.23 H new ATOM 0 HH22 ARG A 38 -12.361 -8.891 -7.033 1.00 72.23 H new ATOM 585 N ARG A 39 -4.266 -9.359 -2.708 1.00 51.44 N ATOM 586 CA ARG A 39 -3.053 -10.031 -2.259 1.00 64.03 C ATOM 587 C ARG A 39 -2.578 -11.044 -3.297 1.00 3.42 C ATOM 588 O ARG A 39 -3.291 -11.994 -3.624 1.00 34.22 O ATOM 589 CB ARG A 39 -3.297 -10.732 -0.922 1.00 0.41 C ATOM 590 CG ARG A 39 -2.021 -11.061 -0.164 1.00 65.23 C ATOM 591 CD ARG A 39 -2.122 -12.407 0.538 1.00 3.23 C ATOM 592 NE ARG A 39 -1.241 -12.484 1.701 1.00 2.53 N ATOM 593 CZ ARG A 39 -1.202 -13.525 2.524 1.00 35.15 C ATOM 594 NH1 ARG A 39 -1.988 -14.572 2.314 1.00 11.30 N ATOM 595 NH2 ARG A 39 -0.374 -13.521 3.561 1.00 14.43 N ATOM 0 H ARG A 39 -5.132 -9.789 -2.382 1.00 51.44 H new ATOM 0 HA ARG A 39 -2.277 -9.277 -2.129 1.00 64.03 H new ATOM 0 HB2 ARG A 39 -3.926 -10.097 -0.298 1.00 0.41 H new ATOM 0 HB3 ARG A 39 -3.851 -11.653 -1.101 1.00 0.41 H new ATOM 0 HG2 ARG A 39 -1.178 -11.072 -0.855 1.00 65.23 H new ATOM 0 HG3 ARG A 39 -1.821 -10.280 0.570 1.00 65.23 H new ATOM 0 HD2 ARG A 39 -3.152 -12.576 0.851 1.00 3.23 H new ATOM 0 HD3 ARG A 39 -1.867 -13.202 -0.163 1.00 3.23 H new ATOM 0 HE ARG A 39 -0.623 -11.695 1.891 1.00 2.53 H new ATOM 0 HH11 ARG A 39 -2.626 -14.580 1.518 1.00 11.30 H new ATOM 0 HH12 ARG A 39 -1.955 -15.370 2.949 1.00 11.30 H new ATOM 0 HH21 ARG A 39 0.233 -12.718 3.726 1.00 14.43 H new ATOM 0 HH22 ARG A 39 -0.344 -14.321 4.193 1.00 14.43 H new ATOM 609 N ILE A 40 -1.371 -10.834 -3.811 1.00 44.40 N ATOM 610 CA ILE A 40 -0.801 -11.729 -4.811 1.00 42.41 C ATOM 611 C ILE A 40 0.583 -12.210 -4.392 1.00 72.14 C ATOM 612 O ILE A 40 1.304 -11.540 -3.652 1.00 52.42 O ATOM 613 CB ILE A 40 -0.699 -11.043 -6.187 1.00 72.11 C ATOM 614 CG1 ILE A 40 0.449 -10.032 -6.194 1.00 72.30 C ATOM 615 CG2 ILE A 40 -2.014 -10.362 -6.538 1.00 62.32 C ATOM 616 CD1 ILE A 40 0.539 -9.228 -7.471 1.00 31.20 C ATOM 0 H ILE A 40 -0.769 -10.052 -3.552 1.00 44.40 H new ATOM 0 HA ILE A 40 -1.472 -12.584 -4.889 1.00 42.41 H new ATOM 0 HB ILE A 40 -0.493 -11.803 -6.941 1.00 72.11 H new ATOM 0 HG12 ILE A 40 0.326 -9.350 -5.353 1.00 72.30 H new ATOM 0 HG13 ILE A 40 1.389 -10.561 -6.041 1.00 72.30 H new ATOM 0 HG21 ILE A 40 -1.926 -9.882 -7.513 1.00 62.32 H new ATOM 0 HG22 ILE A 40 -2.811 -11.105 -6.570 1.00 62.32 H new ATOM 0 HG23 ILE A 40 -2.248 -9.611 -5.783 1.00 62.32 H new ATOM 0 HD11 ILE A 40 1.375 -8.532 -7.405 1.00 31.20 H new ATOM 0 HD12 ILE A 40 0.693 -9.901 -8.315 1.00 31.20 H new ATOM 0 HD13 ILE A 40 -0.386 -8.670 -7.616 1.00 31.20 H new ATOM 628 N PRO A 41 0.967 -13.401 -4.877 1.00 11.00 N ATOM 629 CA PRO A 41 2.270 -13.999 -4.568 1.00 12.50 C ATOM 630 C PRO A 41 3.422 -13.249 -5.225 1.00 23.42 C ATOM 631 O PRO A 41 3.237 -12.569 -6.234 1.00 23.23 O ATOM 632 CB PRO A 41 2.155 -15.414 -5.140 1.00 42.01 C ATOM 633 CG PRO A 41 1.135 -15.304 -6.221 1.00 11.00 C ATOM 634 CD PRO A 41 0.159 -14.254 -5.764 1.00 72.52 C ATOM 0 HA PRO A 41 2.488 -13.973 -3.500 1.00 12.50 H new ATOM 0 HB2 PRO A 41 3.111 -15.762 -5.532 1.00 42.01 H new ATOM 0 HB3 PRO A 41 1.846 -16.126 -4.375 1.00 42.01 H new ATOM 0 HG2 PRO A 41 1.598 -15.022 -7.167 1.00 11.00 H new ATOM 0 HG3 PRO A 41 0.634 -16.258 -6.383 1.00 11.00 H new ATOM 0 HD2 PRO A 41 -0.247 -13.690 -6.604 1.00 72.52 H new ATOM 0 HD3 PRO A 41 -0.687 -14.694 -5.237 1.00 72.52 H new ATOM 642 N ALA A 42 4.612 -13.379 -4.649 1.00 34.44 N ATOM 643 CA ALA A 42 5.796 -12.715 -5.181 1.00 63.52 C ATOM 644 C ALA A 42 6.182 -13.288 -6.541 1.00 3.51 C ATOM 645 O ALA A 42 6.998 -12.712 -7.260 1.00 12.23 O ATOM 646 CB ALA A 42 6.956 -12.842 -4.205 1.00 33.25 C ATOM 0 H ALA A 42 4.782 -13.938 -3.813 1.00 34.44 H new ATOM 0 HA ALA A 42 5.561 -11.659 -5.314 1.00 63.52 H new ATOM 0 HB1 ALA A 42 7.833 -12.342 -4.615 1.00 33.25 H new ATOM 0 HB2 ALA A 42 6.685 -12.379 -3.256 1.00 33.25 H new ATOM 0 HB3 ALA A 42 7.182 -13.896 -4.044 1.00 33.25 H new ATOM 652 N SER A 43 5.588 -14.426 -6.888 1.00 23.24 N ATOM 653 CA SER A 43 5.873 -15.079 -8.161 1.00 32.25 C ATOM 654 C SER A 43 5.166 -14.365 -9.308 1.00 41.11 C ATOM 655 O SER A 43 5.711 -14.235 -10.404 1.00 44.11 O ATOM 656 CB SER A 43 5.441 -16.546 -8.113 1.00 21.13 C ATOM 657 OG SER A 43 6.445 -17.391 -8.648 1.00 42.44 O ATOM 0 H SER A 43 4.907 -14.914 -6.306 1.00 23.24 H new ATOM 0 HA SER A 43 6.948 -15.030 -8.334 1.00 32.25 H new ATOM 0 HB2 SER A 43 5.231 -16.833 -7.083 1.00 21.13 H new ATOM 0 HB3 SER A 43 4.516 -16.674 -8.675 1.00 21.13 H new ATOM 0 HG SER A 43 6.146 -18.323 -8.604 1.00 42.44 H new ATOM 663 N VAL A 44 3.947 -13.904 -9.047 1.00 64.22 N ATOM 664 CA VAL A 44 3.163 -13.202 -10.057 1.00 25.23 C ATOM 665 C VAL A 44 3.380 -11.695 -9.972 1.00 71.21 C ATOM 666 O VAL A 44 3.274 -10.984 -10.970 1.00 45.53 O ATOM 667 CB VAL A 44 1.660 -13.501 -9.909 1.00 51.43 C ATOM 668 CG1 VAL A 44 1.098 -12.818 -8.672 1.00 22.22 C ATOM 669 CG2 VAL A 44 0.904 -13.068 -11.156 1.00 22.45 C ATOM 0 H VAL A 44 3.481 -14.004 -8.145 1.00 64.22 H new ATOM 0 HA VAL A 44 3.504 -13.562 -11.028 1.00 25.23 H new ATOM 0 HB VAL A 44 1.533 -14.577 -9.790 1.00 51.43 H new ATOM 0 HG11 VAL A 44 0.035 -13.041 -8.585 1.00 22.22 H new ATOM 0 HG12 VAL A 44 1.619 -13.182 -7.787 1.00 22.22 H new ATOM 0 HG13 VAL A 44 1.237 -11.740 -8.757 1.00 22.22 H new ATOM 0 HG21 VAL A 44 -0.157 -13.287 -11.033 1.00 22.45 H new ATOM 0 HG22 VAL A 44 1.038 -11.997 -11.309 1.00 22.45 H new ATOM 0 HG23 VAL A 44 1.288 -13.609 -12.021 1.00 22.45 H new ATOM 679 N VAL A 45 3.687 -11.214 -8.771 1.00 62.24 N ATOM 680 CA VAL A 45 3.921 -9.792 -8.555 1.00 33.25 C ATOM 681 C VAL A 45 4.993 -9.261 -9.500 1.00 22.22 C ATOM 682 O VAL A 45 5.018 -8.075 -9.826 1.00 54.44 O ATOM 683 CB VAL A 45 4.347 -9.508 -7.102 1.00 14.51 C ATOM 684 CG1 VAL A 45 5.846 -9.707 -6.936 1.00 72.14 C ATOM 685 CG2 VAL A 45 3.940 -8.100 -6.694 1.00 13.22 C ATOM 0 H VAL A 45 3.779 -11.789 -7.933 1.00 62.24 H new ATOM 0 HA VAL A 45 2.979 -9.282 -8.756 1.00 33.25 H new ATOM 0 HB VAL A 45 3.836 -10.214 -6.447 1.00 14.51 H new ATOM 0 HG11 VAL A 45 6.128 -9.502 -5.903 1.00 72.14 H new ATOM 0 HG12 VAL A 45 6.106 -10.736 -7.186 1.00 72.14 H new ATOM 0 HG13 VAL A 45 6.379 -9.026 -7.600 1.00 72.14 H new ATOM 0 HG21 VAL A 45 4.248 -7.916 -5.665 1.00 13.22 H new ATOM 0 HG22 VAL A 45 4.422 -7.377 -7.352 1.00 13.22 H new ATOM 0 HG23 VAL A 45 2.858 -7.997 -6.772 1.00 13.22 H new ATOM 695 N GLY A 46 5.880 -10.149 -9.938 1.00 60.51 N ATOM 696 CA GLY A 46 6.944 -9.752 -10.842 1.00 51.23 C ATOM 697 C GLY A 46 6.647 -10.121 -12.283 1.00 34.25 C ATOM 698 O GLY A 46 7.561 -10.239 -13.100 1.00 42.05 O ATOM 0 H GLY A 46 5.881 -11.137 -9.683 1.00 60.51 H new ATOM 0 HA2 GLY A 46 7.096 -8.675 -10.770 1.00 51.23 H new ATOM 0 HA3 GLY A 46 7.875 -10.226 -10.533 1.00 51.23 H new ATOM 702 N SER A 47 5.368 -10.303 -12.594 1.00 21.42 N ATOM 703 CA SER A 47 4.955 -10.667 -13.945 1.00 13.34 C ATOM 704 C SER A 47 3.775 -9.812 -14.399 1.00 73.45 C ATOM 705 O SER A 47 3.700 -9.406 -15.558 1.00 4.32 O ATOM 706 CB SER A 47 4.580 -12.148 -14.005 1.00 41.31 C ATOM 707 OG SER A 47 5.440 -12.857 -14.880 1.00 31.35 O ATOM 0 H SER A 47 4.600 -10.205 -11.930 1.00 21.42 H new ATOM 0 HA SER A 47 5.794 -10.486 -14.617 1.00 13.34 H new ATOM 0 HB2 SER A 47 4.635 -12.581 -13.006 1.00 41.31 H new ATOM 0 HB3 SER A 47 3.548 -12.252 -14.341 1.00 41.31 H new ATOM 0 HG SER A 47 5.180 -13.802 -14.899 1.00 31.35 H new ATOM 713 N ILE A 48 2.856 -9.546 -13.477 1.00 12.44 N ATOM 714 CA ILE A 48 1.680 -8.740 -13.782 1.00 51.02 C ATOM 715 C ILE A 48 2.070 -7.306 -14.127 1.00 55.04 C ATOM 716 O ILE A 48 1.332 -6.600 -14.813 1.00 13.00 O ATOM 717 CB ILE A 48 0.690 -8.721 -12.603 1.00 72.22 C ATOM 718 CG1 ILE A 48 1.376 -8.194 -11.340 1.00 45.44 C ATOM 719 CG2 ILE A 48 0.124 -10.113 -12.363 1.00 74.33 C ATOM 720 CD1 ILE A 48 0.913 -6.813 -10.933 1.00 73.12 C ATOM 0 H ILE A 48 2.903 -9.877 -12.513 1.00 12.44 H new ATOM 0 HA ILE A 48 1.197 -9.200 -14.644 1.00 51.02 H new ATOM 0 HB ILE A 48 -0.134 -8.053 -12.852 1.00 72.22 H new ATOM 0 HG12 ILE A 48 1.191 -8.887 -10.519 1.00 45.44 H new ATOM 0 HG13 ILE A 48 2.454 -8.174 -11.503 1.00 45.44 H new ATOM 0 HG21 ILE A 48 -0.574 -10.083 -11.526 1.00 74.33 H new ATOM 0 HG22 ILE A 48 -0.397 -10.453 -13.258 1.00 74.33 H new ATOM 0 HG23 ILE A 48 0.937 -10.802 -12.132 1.00 74.33 H new ATOM 0 HD11 ILE A 48 1.441 -6.503 -10.031 1.00 73.12 H new ATOM 0 HD12 ILE A 48 1.123 -6.107 -11.737 1.00 73.12 H new ATOM 0 HD13 ILE A 48 -0.159 -6.832 -10.738 1.00 73.12 H new ATOM 805 N TRP A 54 -2.580 -1.928 -12.777 1.00 75.43 N ATOM 806 CA TRP A 54 -3.026 -3.305 -12.594 1.00 0.44 C ATOM 807 C TRP A 54 -4.518 -3.356 -12.283 1.00 61.41 C ATOM 808 O TRP A 54 -5.052 -2.475 -11.609 1.00 25.41 O ATOM 809 CB TRP A 54 -2.235 -3.973 -11.468 1.00 52.15 C ATOM 810 CG TRP A 54 -2.703 -5.363 -11.158 1.00 22.13 C ATOM 811 CD1 TRP A 54 -2.194 -6.529 -11.654 1.00 34.31 C ATOM 812 CD2 TRP A 54 -3.774 -5.731 -10.283 1.00 51.23 C ATOM 813 NE1 TRP A 54 -2.884 -7.600 -11.140 1.00 24.41 N ATOM 814 CE2 TRP A 54 -3.858 -7.138 -10.296 1.00 20.02 C ATOM 815 CE3 TRP A 54 -4.669 -5.011 -9.488 1.00 0.43 C ATOM 816 CZ2 TRP A 54 -4.802 -7.833 -9.546 1.00 44.43 C ATOM 817 CZ3 TRP A 54 -5.606 -5.702 -8.745 1.00 61.14 C ATOM 818 CH2 TRP A 54 -5.667 -7.103 -8.777 1.00 14.15 C ATOM 0 HA TRP A 54 -2.848 -3.846 -13.524 1.00 0.44 H new ATOM 0 HB2 TRP A 54 -1.181 -4.005 -11.743 1.00 52.15 H new ATOM 0 HB3 TRP A 54 -2.311 -3.362 -10.568 1.00 52.15 H new ATOM 0 HD1 TRP A 54 -1.370 -6.599 -12.348 1.00 34.31 H new ATOM 0 HE1 TRP A 54 -2.700 -8.581 -11.353 1.00 24.41 H new ATOM 0 HE3 TRP A 54 -4.629 -3.932 -9.455 1.00 0.43 H new ATOM 0 HZ2 TRP A 54 -4.850 -8.912 -9.570 1.00 44.43 H new ATOM 0 HZ3 TRP A 54 -6.304 -5.154 -8.129 1.00 61.14 H new ATOM 0 HH2 TRP A 54 -6.410 -7.615 -8.184 1.00 14.15 H new ATOM 829 N ILE A 55 -5.185 -4.393 -12.778 1.00 74.21 N ATOM 830 CA ILE A 55 -6.615 -4.559 -12.551 1.00 71.21 C ATOM 831 C ILE A 55 -6.935 -5.970 -12.069 1.00 53.11 C ATOM 832 O ILE A 55 -6.089 -6.863 -12.121 1.00 22.52 O ATOM 833 CB ILE A 55 -7.425 -4.269 -13.828 1.00 62.14 C ATOM 834 CG1 ILE A 55 -6.754 -4.916 -15.042 1.00 32.51 C ATOM 835 CG2 ILE A 55 -7.571 -2.769 -14.034 1.00 23.54 C ATOM 836 CD1 ILE A 55 -7.440 -4.601 -16.352 1.00 42.11 C ATOM 0 H ILE A 55 -4.758 -5.131 -13.339 1.00 74.21 H new ATOM 0 HA ILE A 55 -6.898 -3.842 -11.781 1.00 71.21 H new ATOM 0 HB ILE A 55 -8.420 -4.699 -13.714 1.00 62.14 H new ATOM 0 HG12 ILE A 55 -5.718 -4.582 -15.095 1.00 32.51 H new ATOM 0 HG13 ILE A 55 -6.734 -5.997 -14.903 1.00 32.51 H new ATOM 0 HG21 ILE A 55 -8.146 -2.581 -14.941 1.00 23.54 H new ATOM 0 HG22 ILE A 55 -8.088 -2.333 -13.179 1.00 23.54 H new ATOM 0 HG23 ILE A 55 -6.584 -2.317 -14.130 1.00 23.54 H new ATOM 0 HD11 ILE A 55 -6.910 -5.093 -17.168 1.00 42.11 H new ATOM 0 HD12 ILE A 55 -8.469 -4.960 -16.319 1.00 42.11 H new ATOM 0 HD13 ILE A 55 -7.437 -3.523 -16.515 1.00 42.11 H new ATOM 848 N CYS A 56 -8.164 -6.165 -11.601 1.00 2.20 N ATOM 849 CA CYS A 56 -8.598 -7.468 -11.111 1.00 2.25 C ATOM 850 C CYS A 56 -8.489 -8.525 -12.206 1.00 44.21 C ATOM 851 O CYS A 56 -7.899 -9.586 -12.002 1.00 22.14 O ATOM 852 CB CYS A 56 -10.039 -7.390 -10.603 1.00 13.21 C ATOM 853 SG CYS A 56 -10.329 -6.064 -9.388 1.00 1.33 S ATOM 0 H CYS A 56 -8.877 -5.437 -11.551 1.00 2.20 H new ATOM 0 HA CYS A 56 -7.944 -7.755 -10.287 1.00 2.25 H new ATOM 0 HB2 CYS A 56 -10.705 -7.241 -11.453 1.00 13.21 H new ATOM 0 HB3 CYS A 56 -10.306 -8.346 -10.152 1.00 13.21 H new ATOM 0 HG CYS A 56 -11.159 -5.195 -9.884 1.00 1.33 H new ATOM 858 N MET A 57 -9.064 -8.227 -13.367 1.00 20.41 N ATOM 859 CA MET A 57 -9.029 -9.152 -14.495 1.00 1.35 C ATOM 860 C MET A 57 -7.592 -9.472 -14.893 1.00 72.40 C ATOM 861 O MET A 57 -7.328 -10.486 -15.537 1.00 5.22 O ATOM 862 CB MET A 57 -9.782 -8.561 -15.689 1.00 32.25 C ATOM 863 CG MET A 57 -9.263 -7.198 -16.120 1.00 73.51 C ATOM 864 SD MET A 57 -10.587 -6.007 -16.400 1.00 52.22 S ATOM 865 CE MET A 57 -11.015 -5.575 -14.715 1.00 40.52 C ATOM 0 H MET A 57 -9.559 -7.354 -13.551 1.00 20.41 H new ATOM 0 HA MET A 57 -9.516 -10.078 -14.189 1.00 1.35 H new ATOM 0 HB2 MET A 57 -9.711 -9.250 -16.530 1.00 32.25 H new ATOM 0 HB3 MET A 57 -10.839 -8.475 -15.435 1.00 32.25 H new ATOM 0 HG2 MET A 57 -8.588 -6.812 -15.356 1.00 73.51 H new ATOM 0 HG3 MET A 57 -8.680 -7.308 -17.034 1.00 73.51 H new ATOM 0 HE1 MET A 57 -11.382 -4.549 -14.684 1.00 40.52 H new ATOM 0 HE2 MET A 57 -11.791 -6.249 -14.353 1.00 40.52 H new ATOM 0 HE3 MET A 57 -10.133 -5.664 -14.081 1.00 40.52 H new ATOM 875 N ASN A 58 -6.667 -8.600 -14.505 1.00 53.43 N ATOM 876 CA ASN A 58 -5.256 -8.791 -14.821 1.00 5.35 C ATOM 877 C ASN A 58 -4.599 -9.743 -13.828 1.00 50.34 C ATOM 878 O ASN A 58 -3.463 -10.173 -14.023 1.00 31.23 O ATOM 879 CB ASN A 58 -4.525 -7.446 -14.816 1.00 72.05 C ATOM 880 CG ASN A 58 -4.407 -6.847 -16.204 1.00 21.22 C ATOM 881 OD1 ASN A 58 -3.350 -6.344 -16.587 1.00 44.43 O ATOM 882 ND2 ASN A 58 -5.494 -6.898 -16.966 1.00 53.45 N ATOM 0 H ASN A 58 -6.869 -7.754 -13.971 1.00 53.43 H new ATOM 0 HA ASN A 58 -5.189 -9.231 -15.816 1.00 5.35 H new ATOM 0 HB2 ASN A 58 -5.056 -6.750 -14.167 1.00 72.05 H new ATOM 0 HB3 ASN A 58 -3.529 -7.579 -14.395 1.00 72.05 H new ATOM 0 HD21 ASN A 58 -5.474 -6.511 -17.909 1.00 53.45 H new ATOM 0 HD22 ASN A 58 -6.349 -7.324 -16.608 1.00 53.45 H new ATOM 889 N ASN A 59 -5.323 -10.069 -12.762 1.00 34.30 N ATOM 890 CA ASN A 59 -4.810 -10.972 -11.737 1.00 52.31 C ATOM 891 C ASN A 59 -4.513 -12.348 -12.324 1.00 34.12 C ATOM 892 O ASN A 59 -5.166 -12.785 -13.270 1.00 65.12 O ATOM 893 CB ASN A 59 -5.816 -11.100 -10.591 1.00 33.34 C ATOM 894 CG ASN A 59 -5.180 -11.630 -9.320 1.00 1.53 C ATOM 895 OD1 ASN A 59 -3.960 -11.767 -9.233 1.00 5.34 O ATOM 896 ND2 ASN A 59 -6.008 -11.932 -8.327 1.00 2.11 N ATOM 0 H ASN A 59 -6.266 -9.722 -12.585 1.00 34.30 H new ATOM 0 HA ASN A 59 -3.881 -10.553 -11.351 1.00 52.31 H new ATOM 0 HB2 ASN A 59 -6.262 -10.125 -10.392 1.00 33.34 H new ATOM 0 HB3 ASN A 59 -6.625 -11.765 -10.894 1.00 33.34 H new ATOM 0 HD21 ASN A 59 -5.639 -12.294 -7.448 1.00 2.11 H new ATOM 0 HD22 ASN A 59 -7.013 -11.802 -8.444 1.00 2.11 H new ATOM 903 N SER A 60 -3.521 -13.027 -11.754 1.00 51.32 N ATOM 904 CA SER A 60 -3.135 -14.352 -12.222 1.00 73.10 C ATOM 905 C SER A 60 -4.183 -15.392 -11.836 1.00 4.33 C ATOM 906 O SER A 60 -4.315 -16.428 -12.488 1.00 4.15 O ATOM 907 CB SER A 60 -1.774 -14.744 -11.643 1.00 71.43 C ATOM 908 OG SER A 60 -1.745 -16.117 -11.290 1.00 4.43 O ATOM 0 H SER A 60 -2.971 -12.680 -10.968 1.00 51.32 H new ATOM 0 HA SER A 60 -3.064 -14.320 -13.309 1.00 73.10 H new ATOM 0 HB2 SER A 60 -0.992 -14.537 -12.373 1.00 71.43 H new ATOM 0 HB3 SER A 60 -1.560 -14.135 -10.765 1.00 71.43 H new ATOM 0 HG SER A 60 -0.864 -16.342 -10.924 1.00 4.43 H new ATOM 914 N ASP A 61 -4.925 -15.107 -10.771 1.00 63.42 N ATOM 915 CA ASP A 61 -5.962 -16.016 -10.297 1.00 2.10 C ATOM 916 C ASP A 61 -7.110 -16.101 -11.299 1.00 30.22 C ATOM 917 O ASP A 61 -7.008 -15.602 -12.421 1.00 20.30 O ATOM 918 CB ASP A 61 -6.489 -15.558 -8.937 1.00 44.52 C ATOM 919 CG ASP A 61 -6.640 -16.705 -7.957 1.00 65.20 C ATOM 920 OD1 ASP A 61 -5.630 -17.087 -7.332 1.00 33.51 O ATOM 921 OD2 ASP A 61 -7.769 -17.222 -7.817 1.00 25.22 O ATOM 0 H ASP A 61 -4.828 -14.254 -10.220 1.00 63.42 H new ATOM 0 HA ASP A 61 -5.521 -17.007 -10.192 1.00 2.10 H new ATOM 0 HB2 ASP A 61 -5.810 -14.815 -8.519 1.00 44.52 H new ATOM 0 HB3 ASP A 61 -7.454 -15.069 -9.071 1.00 44.52 H new ATOM 926 N LYS A 62 -8.202 -16.736 -10.888 1.00 24.53 N ATOM 927 CA LYS A 62 -9.370 -16.886 -11.748 1.00 64.01 C ATOM 928 C LYS A 62 -10.639 -16.450 -11.023 1.00 61.33 C ATOM 929 O LYS A 62 -11.422 -15.655 -11.544 1.00 24.43 O ATOM 930 CB LYS A 62 -9.505 -18.339 -12.209 1.00 41.13 C ATOM 931 CG LYS A 62 -8.195 -18.959 -12.662 1.00 1.42 C ATOM 932 CD LYS A 62 -7.512 -19.710 -11.532 1.00 11.43 C ATOM 933 CE LYS A 62 -8.290 -20.958 -11.143 1.00 54.31 C ATOM 934 NZ LYS A 62 -7.389 -22.053 -10.690 1.00 71.14 N ATOM 0 H LYS A 62 -8.303 -17.156 -9.964 1.00 24.53 H new ATOM 0 HA LYS A 62 -9.234 -16.246 -12.620 1.00 64.01 H new ATOM 0 HB2 LYS A 62 -9.915 -18.933 -11.393 1.00 41.13 H new ATOM 0 HB3 LYS A 62 -10.222 -18.386 -13.029 1.00 41.13 H new ATOM 0 HG2 LYS A 62 -8.382 -19.641 -13.492 1.00 1.42 H new ATOM 0 HG3 LYS A 62 -7.532 -18.178 -13.034 1.00 1.42 H new ATOM 0 HD2 LYS A 62 -6.503 -19.989 -11.836 1.00 11.43 H new ATOM 0 HD3 LYS A 62 -7.414 -19.056 -10.666 1.00 11.43 H new ATOM 0 HE2 LYS A 62 -8.994 -20.714 -10.347 1.00 54.31 H new ATOM 0 HE3 LYS A 62 -8.878 -21.300 -11.995 1.00 54.31 H new ATOM 0 HZ1 LYS A 62 -7.957 -22.886 -10.434 1.00 71.14 H new ATOM 0 HZ2 LYS A 62 -6.734 -22.303 -11.458 1.00 71.14 H new ATOM 0 HZ3 LYS A 62 -6.846 -21.736 -9.861 1.00 71.14 H new ATOM 948 N ARG A 63 -10.837 -16.977 -9.818 1.00 22.24 N ATOM 949 CA ARG A 63 -12.011 -16.641 -9.022 1.00 44.25 C ATOM 950 C ARG A 63 -11.899 -15.230 -8.454 1.00 25.35 C ATOM 951 O ARG A 63 -12.905 -14.595 -8.136 1.00 51.11 O ATOM 952 CB ARG A 63 -12.186 -17.648 -7.883 1.00 64.05 C ATOM 953 CG ARG A 63 -13.156 -18.772 -8.208 1.00 43.10 C ATOM 954 CD ARG A 63 -12.467 -20.128 -8.186 1.00 20.03 C ATOM 955 NE ARG A 63 -13.352 -21.199 -8.634 1.00 31.54 N ATOM 956 CZ ARG A 63 -13.074 -22.490 -8.488 1.00 1.12 C ATOM 957 NH1 ARG A 63 -11.942 -22.867 -7.910 1.00 72.14 N ATOM 958 NH2 ARG A 63 -13.930 -23.407 -8.921 1.00 4.03 N ATOM 0 H ARG A 63 -10.200 -17.638 -9.373 1.00 22.24 H new ATOM 0 HA ARG A 63 -12.884 -16.683 -9.674 1.00 44.25 H new ATOM 0 HB2 ARG A 63 -11.215 -18.077 -7.636 1.00 64.05 H new ATOM 0 HB3 ARG A 63 -12.537 -17.122 -6.995 1.00 64.05 H new ATOM 0 HG2 ARG A 63 -13.974 -18.767 -7.488 1.00 43.10 H new ATOM 0 HG3 ARG A 63 -13.595 -18.602 -9.191 1.00 43.10 H new ATOM 0 HD2 ARG A 63 -11.584 -20.096 -8.825 1.00 20.03 H new ATOM 0 HD3 ARG A 63 -12.121 -20.343 -7.175 1.00 20.03 H new ATOM 0 HE ARG A 63 -14.231 -20.942 -9.083 1.00 31.54 H new ATOM 0 HH11 ARG A 63 -11.282 -22.165 -7.576 1.00 72.14 H new ATOM 0 HH12 ARG A 63 -11.732 -23.859 -7.799 1.00 72.14 H new ATOM 0 HH21 ARG A 63 -14.802 -23.121 -9.366 1.00 4.03 H new ATOM 0 HH22 ARG A 63 -13.716 -24.398 -8.809 1.00 4.03 H new ATOM 972 N PHE A 64 -10.668 -14.744 -8.330 1.00 41.34 N ATOM 973 CA PHE A 64 -10.424 -13.408 -7.800 1.00 15.11 C ATOM 974 C PHE A 64 -9.769 -12.516 -8.850 1.00 42.01 C ATOM 975 O PHE A 64 -9.114 -11.528 -8.521 1.00 52.52 O ATOM 976 CB PHE A 64 -9.537 -13.485 -6.555 1.00 32.15 C ATOM 977 CG PHE A 64 -10.268 -13.937 -5.324 1.00 12.41 C ATOM 978 CD1 PHE A 64 -10.634 -15.264 -5.168 1.00 73.12 C ATOM 979 CD2 PHE A 64 -10.590 -13.035 -4.322 1.00 20.43 C ATOM 980 CE1 PHE A 64 -11.309 -15.683 -4.036 1.00 33.40 C ATOM 981 CE2 PHE A 64 -11.264 -13.448 -3.188 1.00 31.12 C ATOM 982 CZ PHE A 64 -11.622 -14.775 -3.045 1.00 13.34 C ATOM 0 H PHE A 64 -9.824 -15.256 -8.589 1.00 41.34 H new ATOM 0 HA PHE A 64 -11.385 -12.972 -7.528 1.00 15.11 H new ATOM 0 HB2 PHE A 64 -8.711 -14.170 -6.749 1.00 32.15 H new ATOM 0 HB3 PHE A 64 -9.101 -12.504 -6.369 1.00 32.15 H new ATOM 0 HD1 PHE A 64 -10.389 -15.979 -5.939 1.00 73.12 H new ATOM 0 HD2 PHE A 64 -10.311 -11.997 -4.429 1.00 20.43 H new ATOM 0 HE1 PHE A 64 -11.591 -16.720 -3.928 1.00 33.40 H new ATOM 0 HE2 PHE A 64 -11.510 -12.735 -2.415 1.00 31.12 H new ATOM 0 HZ PHE A 64 -12.146 -15.101 -2.159 1.00 13.34 H new ATOM 992 N ALA A 65 -9.951 -12.874 -10.117 1.00 65.40 N ATOM 993 CA ALA A 65 -9.379 -12.108 -11.217 1.00 21.02 C ATOM 994 C ALA A 65 -10.470 -11.423 -12.035 1.00 73.05 C ATOM 995 O ALA A 65 -10.697 -11.765 -13.195 1.00 71.14 O ATOM 996 CB ALA A 65 -8.537 -13.008 -12.108 1.00 72.33 C ATOM 0 H ALA A 65 -10.490 -13.690 -10.407 1.00 65.40 H new ATOM 0 HA ALA A 65 -8.739 -11.335 -10.792 1.00 21.02 H new ATOM 0 HB1 ALA A 65 -8.117 -12.421 -12.925 1.00 72.33 H new ATOM 0 HB2 ALA A 65 -7.729 -13.446 -11.523 1.00 72.33 H new ATOM 0 HB3 ALA A 65 -9.161 -13.803 -12.516 1.00 72.33 H new ATOM 1002 N ASP A 66 -11.144 -10.457 -11.421 1.00 31.41 N ATOM 1003 CA ASP A 66 -12.211 -9.724 -12.092 1.00 43.44 C ATOM 1004 C ASP A 66 -12.804 -8.663 -11.171 1.00 42.00 C ATOM 1005 O ASP A 66 -12.928 -8.872 -9.964 1.00 52.54 O ATOM 1006 CB ASP A 66 -13.307 -10.686 -12.554 1.00 40.34 C ATOM 1007 CG ASP A 66 -13.240 -10.969 -14.042 1.00 11.54 C ATOM 1008 OD1 ASP A 66 -13.159 -10.000 -14.826 1.00 74.52 O ATOM 1009 OD2 ASP A 66 -13.270 -12.158 -14.422 1.00 43.33 O ATOM 0 H ASP A 66 -10.970 -10.163 -10.460 1.00 31.41 H new ATOM 0 HA ASP A 66 -11.784 -9.226 -12.963 1.00 43.44 H new ATOM 0 HB2 ASP A 66 -13.219 -11.623 -12.005 1.00 40.34 H new ATOM 0 HB3 ASP A 66 -14.282 -10.265 -12.311 1.00 40.34 H new ATOM 1014 N CYS A 67 -13.168 -7.523 -11.748 1.00 2.44 N ATOM 1015 CA CYS A 67 -13.746 -6.426 -10.979 1.00 63.01 C ATOM 1016 C CYS A 67 -15.090 -6.832 -10.380 1.00 21.32 C ATOM 1017 O CYS A 67 -15.528 -6.270 -9.377 1.00 4.50 O ATOM 1018 CB CYS A 67 -13.923 -5.192 -11.866 1.00 2.01 C ATOM 1019 SG CYS A 67 -12.462 -4.105 -11.926 1.00 45.53 S ATOM 0 H CYS A 67 -13.073 -7.334 -12.746 1.00 2.44 H new ATOM 0 HA CYS A 67 -13.062 -6.185 -10.165 1.00 63.01 H new ATOM 0 HB2 CYS A 67 -14.163 -5.517 -12.878 1.00 2.01 H new ATOM 0 HB3 CYS A 67 -14.776 -4.617 -11.505 1.00 2.01 H new ATOM 0 HG CYS A 67 -12.229 -3.625 -10.741 1.00 45.53 H new ATOM 1024 N SER A 68 -15.737 -7.812 -11.002 1.00 42.45 N ATOM 1025 CA SER A 68 -17.032 -8.291 -10.533 1.00 65.31 C ATOM 1026 C SER A 68 -16.878 -9.108 -9.254 1.00 0.22 C ATOM 1027 O SER A 68 -17.803 -9.198 -8.446 1.00 71.21 O ATOM 1028 CB SER A 68 -17.709 -9.137 -11.613 1.00 23.41 C ATOM 1029 OG SER A 68 -16.758 -9.646 -12.532 1.00 21.32 O ATOM 0 H SER A 68 -15.386 -8.290 -11.832 1.00 42.45 H new ATOM 0 HA SER A 68 -17.656 -7.424 -10.317 1.00 65.31 H new ATOM 0 HB2 SER A 68 -18.248 -9.962 -11.148 1.00 23.41 H new ATOM 0 HB3 SER A 68 -18.446 -8.534 -12.144 1.00 23.41 H new ATOM 0 HG SER A 68 -17.215 -10.185 -13.211 1.00 21.32 H new ATOM 1035 N LYS A 69 -15.703 -9.702 -9.077 1.00 13.41 N ATOM 1036 CA LYS A 69 -15.424 -10.511 -7.897 1.00 53.31 C ATOM 1037 C LYS A 69 -15.437 -9.655 -6.635 1.00 15.45 C ATOM 1038 O LYS A 69 -15.795 -8.478 -6.675 1.00 2.13 O ATOM 1039 CB LYS A 69 -14.070 -11.208 -8.039 1.00 33.33 C ATOM 1040 CG LYS A 69 -13.949 -12.053 -9.295 1.00 31.12 C ATOM 1041 CD LYS A 69 -15.053 -13.094 -9.375 1.00 0.52 C ATOM 1042 CE LYS A 69 -16.160 -12.660 -10.324 1.00 41.11 C ATOM 1043 NZ LYS A 69 -16.738 -13.813 -11.067 1.00 70.31 N ATOM 0 H LYS A 69 -14.928 -9.638 -9.737 1.00 13.41 H new ATOM 0 HA LYS A 69 -16.206 -11.265 -7.812 1.00 53.31 H new ATOM 0 HB2 LYS A 69 -13.282 -10.455 -8.041 1.00 33.33 H new ATOM 0 HB3 LYS A 69 -13.904 -11.842 -7.168 1.00 33.33 H new ATOM 0 HG2 LYS A 69 -13.991 -11.409 -10.173 1.00 31.12 H new ATOM 0 HG3 LYS A 69 -12.978 -12.549 -9.309 1.00 31.12 H new ATOM 0 HD2 LYS A 69 -14.636 -14.043 -9.711 1.00 0.52 H new ATOM 0 HD3 LYS A 69 -15.469 -13.262 -8.382 1.00 0.52 H new ATOM 0 HE2 LYS A 69 -16.947 -12.161 -9.759 1.00 41.11 H new ATOM 0 HE3 LYS A 69 -15.766 -11.932 -11.033 1.00 41.11 H new ATOM 0 HZ1 LYS A 69 -17.489 -13.475 -11.703 1.00 70.31 H new ATOM 0 HZ2 LYS A 69 -15.992 -14.275 -11.626 1.00 70.31 H new ATOM 0 HZ3 LYS A 69 -17.137 -14.496 -10.392 1.00 70.31 H new ATOM 1057 N SER A 70 -15.043 -10.252 -5.515 1.00 35.42 N ATOM 1058 CA SER A 70 -15.010 -9.545 -4.240 1.00 0.52 C ATOM 1059 C SER A 70 -13.577 -9.380 -3.746 1.00 13.02 C ATOM 1060 O SER A 70 -12.638 -9.902 -4.346 1.00 42.14 O ATOM 1061 CB SER A 70 -15.840 -10.295 -3.196 1.00 33.34 C ATOM 1062 OG SER A 70 -15.985 -11.660 -3.544 1.00 64.52 O ATOM 0 H SER A 70 -14.742 -11.225 -5.465 1.00 35.42 H new ATOM 0 HA SER A 70 -15.438 -8.554 -4.391 1.00 0.52 H new ATOM 0 HB2 SER A 70 -15.361 -10.214 -2.220 1.00 33.34 H new ATOM 0 HB3 SER A 70 -16.823 -9.833 -3.108 1.00 33.34 H new ATOM 0 HG SER A 70 -16.518 -12.117 -2.860 1.00 64.52 H new ATOM 1068 N GLN A 71 -13.417 -8.649 -2.647 1.00 22.15 N ATOM 1069 CA GLN A 71 -12.098 -8.414 -2.072 1.00 21.52 C ATOM 1070 C GLN A 71 -11.589 -9.657 -1.351 1.00 52.21 C ATOM 1071 O GLN A 71 -12.357 -10.572 -1.055 1.00 31.14 O ATOM 1072 CB GLN A 71 -12.144 -7.231 -1.103 1.00 34.15 C ATOM 1073 CG GLN A 71 -10.773 -6.675 -0.755 1.00 71.41 C ATOM 1074 CD GLN A 71 -10.837 -5.265 -0.205 1.00 34.23 C ATOM 1075 OE1 GLN A 71 -11.909 -4.664 -0.126 1.00 61.51 O ATOM 1076 NE2 GLN A 71 -9.685 -4.726 0.180 1.00 0.42 N ATOM 0 H GLN A 71 -14.184 -8.210 -2.138 1.00 22.15 H new ATOM 0 HA GLN A 71 -11.411 -8.182 -2.886 1.00 21.52 H new ATOM 0 HB2 GLN A 71 -12.748 -6.437 -1.541 1.00 34.15 H new ATOM 0 HB3 GLN A 71 -12.644 -7.543 -0.186 1.00 34.15 H new ATOM 0 HG2 GLN A 71 -10.297 -7.326 -0.021 1.00 71.41 H new ATOM 0 HG3 GLN A 71 -10.144 -6.685 -1.645 1.00 71.41 H new ATOM 0 HE21 GLN A 71 -8.819 -5.259 0.097 1.00 0.42 H new ATOM 0 HE22 GLN A 71 -9.666 -3.779 0.558 1.00 0.42 H new ATOM 1085 N GLU A 72 -10.290 -9.684 -1.072 1.00 31.12 N ATOM 1086 CA GLU A 72 -9.679 -10.817 -0.386 1.00 5.00 C ATOM 1087 C GLU A 72 -9.629 -10.579 1.120 1.00 4.04 C ATOM 1088 O GLU A 72 -9.845 -11.496 1.912 1.00 45.30 O ATOM 1089 CB GLU A 72 -8.267 -11.064 -0.921 1.00 61.35 C ATOM 1090 CG GLU A 72 -8.196 -11.143 -2.438 1.00 74.01 C ATOM 1091 CD GLU A 72 -7.413 -12.348 -2.922 1.00 65.05 C ATOM 1092 OE1 GLU A 72 -6.528 -12.819 -2.178 1.00 62.13 O ATOM 1093 OE2 GLU A 72 -7.686 -12.821 -4.046 1.00 61.40 O ATOM 0 H GLU A 72 -9.640 -8.935 -1.310 1.00 31.12 H new ATOM 0 HA GLU A 72 -10.292 -11.698 -0.577 1.00 5.00 H new ATOM 0 HB2 GLU A 72 -7.612 -10.264 -0.576 1.00 61.35 H new ATOM 0 HB3 GLU A 72 -7.885 -11.993 -0.499 1.00 61.35 H new ATOM 0 HG2 GLU A 72 -9.207 -11.184 -2.844 1.00 74.01 H new ATOM 0 HG3 GLU A 72 -7.734 -10.235 -2.824 1.00 74.01 H new ATOM 1100 N MET A 73 -9.342 -9.340 1.508 1.00 75.42 N ATOM 1101 CA MET A 73 -9.264 -8.982 2.919 1.00 34.04 C ATOM 1102 C MET A 73 -9.946 -7.642 3.177 1.00 12.44 C ATOM 1103 O MET A 73 -10.246 -6.896 2.245 1.00 72.30 O ATOM 1104 CB MET A 73 -7.803 -8.919 3.372 1.00 51.53 C ATOM 1105 CG MET A 73 -7.158 -10.286 3.530 1.00 11.31 C ATOM 1106 SD MET A 73 -6.006 -10.354 4.917 1.00 25.03 S ATOM 1107 CE MET A 73 -5.160 -8.786 4.729 1.00 34.04 C ATOM 0 H MET A 73 -9.160 -8.569 0.866 1.00 75.42 H new ATOM 0 HA MET A 73 -9.782 -9.751 3.493 1.00 34.04 H new ATOM 0 HB2 MET A 73 -7.231 -8.338 2.649 1.00 51.53 H new ATOM 0 HB3 MET A 73 -7.748 -8.388 4.322 1.00 51.53 H new ATOM 0 HG2 MET A 73 -7.936 -11.036 3.671 1.00 11.31 H new ATOM 0 HG3 MET A 73 -6.630 -10.543 2.611 1.00 11.31 H new ATOM 0 HE1 MET A 73 -4.087 -8.959 4.652 1.00 34.04 H new ATOM 0 HE2 MET A 73 -5.513 -8.288 3.826 1.00 34.04 H new ATOM 0 HE3 MET A 73 -5.365 -8.156 5.595 1.00 34.04 H new ATOM 1117 N SER A 74 -10.189 -7.342 4.450 1.00 3.12 N ATOM 1118 CA SER A 74 -10.841 -6.093 4.830 1.00 72.42 C ATOM 1119 C SER A 74 -9.834 -4.948 4.877 1.00 74.44 C ATOM 1120 O SER A 74 -8.648 -5.160 5.132 1.00 13.43 O ATOM 1121 CB SER A 74 -11.524 -6.244 6.190 1.00 13.12 C ATOM 1122 OG SER A 74 -12.404 -7.354 6.199 1.00 55.23 O ATOM 0 H SER A 74 -9.944 -7.946 5.235 1.00 3.12 H new ATOM 0 HA SER A 74 -11.594 -5.860 4.077 1.00 72.42 H new ATOM 0 HB2 SER A 74 -10.770 -6.368 6.967 1.00 13.12 H new ATOM 0 HB3 SER A 74 -12.078 -5.335 6.425 1.00 13.12 H new ATOM 0 HG SER A 74 -12.826 -7.429 7.080 1.00 55.23 H new ATOM 1128 N ASN A 75 -10.314 -3.735 4.630 1.00 44.52 N ATOM 1129 CA ASN A 75 -9.458 -2.555 4.644 1.00 30.22 C ATOM 1130 C ASN A 75 -8.641 -2.490 5.931 1.00 51.34 C ATOM 1131 O ASN A 75 -7.453 -2.171 5.908 1.00 75.02 O ATOM 1132 CB ASN A 75 -10.300 -1.285 4.497 1.00 63.33 C ATOM 1133 CG ASN A 75 -10.019 -0.554 3.198 1.00 15.42 C ATOM 1134 OD1 ASN A 75 -9.861 0.668 3.183 1.00 53.23 O ATOM 1135 ND2 ASN A 75 -9.957 -1.298 2.101 1.00 32.10 N ATOM 0 H ASN A 75 -11.293 -3.543 4.417 1.00 44.52 H new ATOM 0 HA ASN A 75 -8.771 -2.627 3.801 1.00 30.22 H new ATOM 0 HB2 ASN A 75 -11.357 -1.546 4.543 1.00 63.33 H new ATOM 0 HB3 ASN A 75 -10.099 -0.619 5.336 1.00 63.33 H new ATOM 0 HD21 ASN A 75 -9.772 -0.861 1.198 1.00 32.10 H new ATOM 0 HD22 ASN A 75 -10.094 -2.307 2.161 1.00 32.10 H new ATOM 1142 N GLU A 76 -9.288 -2.796 7.051 1.00 51.34 N ATOM 1143 CA GLU A 76 -8.622 -2.773 8.348 1.00 34.41 C ATOM 1144 C GLU A 76 -7.437 -3.736 8.368 1.00 11.11 C ATOM 1145 O GLU A 76 -6.340 -3.377 8.795 1.00 1.44 O ATOM 1146 CB GLU A 76 -9.607 -3.137 9.460 1.00 42.44 C ATOM 1147 CG GLU A 76 -10.337 -4.448 9.221 1.00 52.21 C ATOM 1148 CD GLU A 76 -11.480 -4.665 10.195 1.00 73.43 C ATOM 1149 OE1 GLU A 76 -11.271 -4.467 11.410 1.00 21.13 O ATOM 1150 OE2 GLU A 76 -12.583 -5.034 9.741 1.00 1.15 O ATOM 0 H GLU A 76 -10.272 -3.063 7.086 1.00 51.34 H new ATOM 0 HA GLU A 76 -8.251 -1.762 8.519 1.00 34.41 H new ATOM 0 HB2 GLU A 76 -9.068 -3.198 10.406 1.00 42.44 H new ATOM 0 HB3 GLU A 76 -10.339 -2.336 9.562 1.00 42.44 H new ATOM 0 HG2 GLU A 76 -10.725 -4.463 8.202 1.00 52.21 H new ATOM 0 HG3 GLU A 76 -9.631 -5.274 9.306 1.00 52.21 H new ATOM 1157 N GLU A 77 -7.669 -4.960 7.905 1.00 63.42 N ATOM 1158 CA GLU A 77 -6.622 -5.974 7.871 1.00 54.31 C ATOM 1159 C GLU A 77 -5.454 -5.521 7.000 1.00 61.52 C ATOM 1160 O GLU A 77 -4.290 -5.677 7.374 1.00 45.22 O ATOM 1161 CB GLU A 77 -7.181 -7.298 7.347 1.00 64.32 C ATOM 1162 CG GLU A 77 -8.247 -7.906 8.242 1.00 73.04 C ATOM 1163 CD GLU A 77 -8.188 -9.421 8.274 1.00 63.24 C ATOM 1164 OE1 GLU A 77 -7.077 -9.970 8.422 1.00 62.43 O ATOM 1165 OE2 GLU A 77 -9.256 -10.059 8.149 1.00 34.35 O ATOM 0 H GLU A 77 -8.572 -5.273 7.549 1.00 63.42 H new ATOM 0 HA GLU A 77 -6.258 -6.119 8.888 1.00 54.31 H new ATOM 0 HB2 GLU A 77 -7.601 -7.138 6.354 1.00 64.32 H new ATOM 0 HB3 GLU A 77 -6.363 -8.010 7.236 1.00 64.32 H new ATOM 0 HG2 GLU A 77 -8.129 -7.520 9.255 1.00 73.04 H new ATOM 0 HG3 GLU A 77 -9.231 -7.592 7.894 1.00 73.04 H new ATOM 1172 N ILE A 78 -5.772 -4.962 5.838 1.00 43.12 N ATOM 1173 CA ILE A 78 -4.750 -4.486 4.914 1.00 60.42 C ATOM 1174 C ILE A 78 -3.983 -3.308 5.502 1.00 13.33 C ATOM 1175 O ILE A 78 -2.756 -3.257 5.435 1.00 31.40 O ATOM 1176 CB ILE A 78 -5.363 -4.065 3.565 1.00 71.21 C ATOM 1177 CG1 ILE A 78 -6.235 -5.188 3.002 1.00 72.24 C ATOM 1178 CG2 ILE A 78 -4.266 -3.693 2.578 1.00 12.50 C ATOM 1179 CD1 ILE A 78 -7.171 -4.735 1.904 1.00 72.00 C ATOM 0 H ILE A 78 -6.730 -4.827 5.514 1.00 43.12 H new ATOM 0 HA ILE A 78 -4.063 -5.316 4.748 1.00 60.42 H new ATOM 0 HB ILE A 78 -5.992 -3.190 3.727 1.00 71.21 H new ATOM 0 HG12 ILE A 78 -5.591 -5.978 2.616 1.00 72.24 H new ATOM 0 HG13 ILE A 78 -6.821 -5.622 3.812 1.00 72.24 H new ATOM 0 HG21 ILE A 78 -4.715 -3.398 1.630 1.00 12.50 H new ATOM 0 HG22 ILE A 78 -3.683 -2.863 2.978 1.00 12.50 H new ATOM 0 HG23 ILE A 78 -3.613 -4.551 2.419 1.00 12.50 H new ATOM 0 HD11 ILE A 78 -7.758 -5.584 1.553 1.00 72.00 H new ATOM 0 HD12 ILE A 78 -7.840 -3.966 2.290 1.00 72.00 H new ATOM 0 HD13 ILE A 78 -6.591 -4.328 1.076 1.00 72.00 H new ATOM 1191 N ASN A 79 -4.715 -2.362 6.081 1.00 11.51 N ATOM 1192 CA ASN A 79 -4.103 -1.183 6.683 1.00 32.11 C ATOM 1193 C ASN A 79 -3.123 -1.580 7.782 1.00 33.24 C ATOM 1194 O ASN A 79 -2.032 -1.021 7.886 1.00 70.13 O ATOM 1195 CB ASN A 79 -5.181 -0.259 7.255 1.00 63.20 C ATOM 1196 CG ASN A 79 -5.029 -0.048 8.749 1.00 41.05 C ATOM 1197 OD1 ASN A 79 -4.218 0.763 9.194 1.00 22.42 O ATOM 1198 ND2 ASN A 79 -5.813 -0.782 9.531 1.00 20.10 N ATOM 0 H ASN A 79 -5.733 -2.389 6.146 1.00 11.51 H new ATOM 0 HA ASN A 79 -3.554 -0.652 5.905 1.00 32.11 H new ATOM 0 HB2 ASN A 79 -5.135 0.705 6.748 1.00 63.20 H new ATOM 0 HB3 ASN A 79 -6.164 -0.681 7.049 1.00 63.20 H new ATOM 0 HD21 ASN A 79 -5.757 -0.685 10.545 1.00 20.10 H new ATOM 0 HD22 ASN A 79 -6.471 -1.442 9.118 1.00 20.10 H new ATOM 1205 N GLU A 80 -3.521 -2.549 8.601 1.00 41.32 N ATOM 1206 CA GLU A 80 -2.678 -3.021 9.692 1.00 74.42 C ATOM 1207 C GLU A 80 -1.555 -3.912 9.167 1.00 73.25 C ATOM 1208 O GLU A 80 -0.479 -3.985 9.759 1.00 24.43 O ATOM 1209 CB GLU A 80 -3.514 -3.788 10.720 1.00 25.24 C ATOM 1210 CG GLU A 80 -4.038 -5.119 10.206 1.00 22.22 C ATOM 1211 CD GLU A 80 -4.632 -5.975 11.307 1.00 2.22 C ATOM 1212 OE1 GLU A 80 -5.403 -5.434 12.128 1.00 21.34 O ATOM 1213 OE2 GLU A 80 -4.329 -7.185 11.347 1.00 13.13 O ATOM 0 H GLU A 80 -4.422 -3.022 8.529 1.00 41.32 H new ATOM 0 HA GLU A 80 -2.233 -2.150 10.174 1.00 74.42 H new ATOM 0 HB2 GLU A 80 -2.909 -3.964 11.609 1.00 25.24 H new ATOM 0 HB3 GLU A 80 -4.357 -3.168 11.025 1.00 25.24 H new ATOM 0 HG2 GLU A 80 -4.795 -4.937 9.443 1.00 22.22 H new ATOM 0 HG3 GLU A 80 -3.226 -5.664 9.725 1.00 22.22 H new ATOM 1220 N GLU A 81 -1.818 -4.588 8.054 1.00 64.43 N ATOM 1221 CA GLU A 81 -0.831 -5.476 7.449 1.00 72.12 C ATOM 1222 C GLU A 81 0.379 -4.689 6.954 1.00 4.43 C ATOM 1223 O GLU A 81 1.520 -5.003 7.293 1.00 25.21 O ATOM 1224 CB GLU A 81 -1.455 -6.256 6.290 1.00 34.02 C ATOM 1225 CG GLU A 81 -0.493 -7.223 5.620 1.00 50.34 C ATOM 1226 CD GLU A 81 -1.195 -8.442 5.051 1.00 11.25 C ATOM 1227 OE1 GLU A 81 -1.977 -9.076 5.790 1.00 75.22 O ATOM 1228 OE2 GLU A 81 -0.962 -8.760 3.866 1.00 20.23 O ATOM 0 H GLU A 81 -2.705 -4.538 7.553 1.00 64.43 H new ATOM 0 HA GLU A 81 -0.498 -6.179 8.212 1.00 72.12 H new ATOM 0 HB2 GLU A 81 -2.317 -6.812 6.659 1.00 34.02 H new ATOM 0 HB3 GLU A 81 -1.825 -5.551 5.546 1.00 34.02 H new ATOM 0 HG2 GLU A 81 0.037 -6.707 4.820 1.00 50.34 H new ATOM 0 HG3 GLU A 81 0.256 -7.544 6.343 1.00 50.34 H new ATOM 1235 N LEU A 82 0.120 -3.663 6.150 1.00 52.21 N ATOM 1236 CA LEU A 82 1.187 -2.829 5.607 1.00 2.42 C ATOM 1237 C LEU A 82 1.614 -1.765 6.613 1.00 52.04 C ATOM 1238 O LEU A 82 2.764 -1.331 6.623 1.00 73.22 O ATOM 1239 CB LEU A 82 0.729 -2.163 4.308 1.00 11.22 C ATOM 1240 CG LEU A 82 0.238 -3.104 3.208 1.00 60.41 C ATOM 1241 CD1 LEU A 82 -1.224 -2.837 2.888 1.00 11.30 C ATOM 1242 CD2 LEU A 82 1.094 -2.957 1.958 1.00 31.12 C ATOM 0 H LEU A 82 -0.819 -3.389 5.860 1.00 52.21 H new ATOM 0 HA LEU A 82 2.044 -3.470 5.399 1.00 2.42 H new ATOM 0 HB2 LEU A 82 -0.073 -1.464 4.545 1.00 11.22 H new ATOM 0 HB3 LEU A 82 1.558 -1.576 3.913 1.00 11.22 H new ATOM 0 HG LEU A 82 0.328 -4.129 3.568 1.00 60.41 H new ATOM 0 HD11 LEU A 82 -1.555 -3.517 2.103 1.00 11.30 H new ATOM 0 HD12 LEU A 82 -1.827 -2.995 3.782 1.00 11.30 H new ATOM 0 HD13 LEU A 82 -1.340 -1.808 2.549 1.00 11.30 H new ATOM 0 HD21 LEU A 82 0.730 -3.635 1.186 1.00 31.12 H new ATOM 0 HD22 LEU A 82 1.037 -1.930 1.596 1.00 31.12 H new ATOM 0 HD23 LEU A 82 2.130 -3.201 2.195 1.00 31.12 H new ATOM 1254 N GLY A 83 0.677 -1.352 7.462 1.00 12.23 N ATOM 1255 CA GLY A 83 0.976 -0.344 8.463 1.00 42.11 C ATOM 1256 C GLY A 83 0.648 1.058 7.990 1.00 30.21 C ATOM 1257 O GLY A 83 1.197 2.036 8.498 1.00 32.22 O ATOM 0 H GLY A 83 -0.283 -1.697 7.474 1.00 12.23 H new ATOM 0 HA2 GLY A 83 0.412 -0.559 9.371 1.00 42.11 H new ATOM 0 HA3 GLY A 83 2.033 -0.398 8.724 1.00 42.11 H new ATOM 1261 N ILE A 84 -0.248 1.157 7.015 1.00 53.52 N ATOM 1262 CA ILE A 84 -0.648 2.450 6.473 1.00 55.24 C ATOM 1263 C ILE A 84 -1.968 2.916 7.079 1.00 73.35 C ATOM 1264 O ILE A 84 -2.496 2.290 7.998 1.00 1.33 O ATOM 1265 CB ILE A 84 -0.789 2.399 4.941 1.00 2.14 C ATOM 1266 CG1 ILE A 84 -1.931 1.462 4.543 1.00 3.52 C ATOM 1267 CG2 ILE A 84 0.518 1.952 4.303 1.00 43.44 C ATOM 1268 CD1 ILE A 84 -2.184 1.418 3.052 1.00 55.33 C ATOM 0 H ILE A 84 -0.711 0.357 6.584 1.00 53.52 H new ATOM 0 HA ILE A 84 0.139 3.158 6.734 1.00 55.24 H new ATOM 0 HB ILE A 84 -1.023 3.400 4.579 1.00 2.14 H new ATOM 0 HG12 ILE A 84 -1.704 0.456 4.895 1.00 3.52 H new ATOM 0 HG13 ILE A 84 -2.843 1.778 5.049 1.00 3.52 H new ATOM 0 HG21 ILE A 84 0.402 1.921 3.220 1.00 43.44 H new ATOM 0 HG22 ILE A 84 1.309 2.655 4.563 1.00 43.44 H new ATOM 0 HG23 ILE A 84 0.780 0.959 4.668 1.00 43.44 H new ATOM 0 HD11 ILE A 84 -3.007 0.734 2.843 1.00 55.33 H new ATOM 0 HD12 ILE A 84 -2.442 2.416 2.697 1.00 55.33 H new ATOM 0 HD13 ILE A 84 -1.286 1.072 2.541 1.00 55.33 H new ATOM 1280 N GLY A 85 -2.498 4.017 6.556 1.00 33.32 N ATOM 1281 CA GLY A 85 -3.752 4.547 7.057 1.00 4.43 C ATOM 1282 C GLY A 85 -4.740 4.843 5.945 1.00 14.42 C ATOM 1283 O GLY A 85 -4.805 5.966 5.446 1.00 31.52 O ATOM 0 H GLY A 85 -2.081 4.552 5.794 1.00 33.32 H new ATOM 0 HA2 GLY A 85 -4.194 3.832 7.751 1.00 4.43 H new ATOM 0 HA3 GLY A 85 -3.558 5.460 7.620 1.00 4.43 H new ATOM 1287 N GLN A 86 -5.512 3.832 5.557 1.00 14.43 N ATOM 1288 CA GLN A 86 -6.500 3.990 4.497 1.00 54.21 C ATOM 1289 C GLN A 86 -7.774 4.636 5.031 1.00 30.24 C ATOM 1290 O GLN A 86 -8.639 5.054 4.261 1.00 13.02 O ATOM 1291 CB GLN A 86 -6.826 2.633 3.871 1.00 64.23 C ATOM 1292 CG GLN A 86 -5.635 1.692 3.802 1.00 63.42 C ATOM 1293 CD GLN A 86 -5.898 0.480 2.930 1.00 42.05 C ATOM 1294 OE1 GLN A 86 -6.866 0.446 2.169 1.00 2.20 O ATOM 1295 NE2 GLN A 86 -5.035 -0.524 3.036 1.00 52.24 N ATOM 0 H GLN A 86 -5.472 2.896 5.961 1.00 14.43 H new ATOM 0 HA GLN A 86 -6.077 4.643 3.734 1.00 54.21 H new ATOM 0 HB2 GLN A 86 -7.620 2.158 4.447 1.00 64.23 H new ATOM 0 HB3 GLN A 86 -7.213 2.790 2.864 1.00 64.23 H new ATOM 0 HG2 GLN A 86 -4.772 2.233 3.415 1.00 63.42 H new ATOM 0 HG3 GLN A 86 -5.379 1.362 4.809 1.00 63.42 H new ATOM 0 HE21 GLN A 86 -4.247 -0.453 3.680 1.00 52.24 H new ATOM 0 HE22 GLN A 86 -5.160 -1.366 2.474 1.00 52.24 H new