USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 CYS SG : rot 146:sc= 0.192 USER MOD Set 1.2: A 34 CYS SG : rot -52:sc= 0.868 USER MOD Set 1.3: A 56 CYS SG : rot 115:sc= -0.0251 USER MOD Set 1.4: A 57 MET CE :methyl 154:sc= -1.84 (180deg=-1.91!) USER MOD Set 1.5: A 67 CYS SG : rot -64:sc= -0.0195 USER MOD Single : A 26 SER OG : rot -13:sc= 0.327 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 96:sc= 0.0082 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.891 F(o=-2.6,f=-0.89) USER MOD Single : A 59 ASN : amide:sc= 0.245 K(o=0.24,f=-3.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -3.81 X(o=-3.8,f=-3.7!) USER MOD Single : A 73 MET CE :methyl 180:sc= -2.35 (180deg=-2.35) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.038) USER MOD Single : A 79 ASN :FLIP amide:sc= 0.773 F(o=-0.22,f=0.77) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.718 F(o=-3.6!,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.658 -12.311 -0.689 1.00 44.52 N ATOM 367 CA SER A 26 3.475 -11.777 -1.354 1.00 21.44 C ATOM 368 C SER A 26 3.459 -10.253 -1.294 1.00 53.12 C ATOM 369 O SER A 26 3.968 -9.652 -0.349 1.00 4.41 O ATOM 370 CB SER A 26 2.206 -12.337 -0.708 1.00 25.11 C ATOM 371 OG SER A 26 2.477 -12.860 0.581 1.00 2.34 O ATOM 0 HA SER A 26 3.508 -12.081 -2.400 1.00 21.44 H new ATOM 0 HB2 SER A 26 1.455 -11.551 -0.634 1.00 25.11 H new ATOM 0 HB3 SER A 26 1.787 -13.120 -1.341 1.00 25.11 H new ATOM 0 HG SER A 26 3.446 -12.949 0.701 1.00 2.34 H new ATOM 377 N ALA A 27 2.871 -9.634 -2.312 1.00 50.12 N ATOM 378 CA ALA A 27 2.786 -8.180 -2.377 1.00 41.22 C ATOM 379 C ALA A 27 1.340 -7.720 -2.527 1.00 20.40 C ATOM 380 O ALA A 27 0.450 -8.523 -2.810 1.00 10.11 O ATOM 381 CB ALA A 27 3.631 -7.652 -3.526 1.00 45.45 C ATOM 0 H ALA A 27 2.446 -10.117 -3.104 1.00 50.12 H new ATOM 0 HA ALA A 27 3.173 -7.777 -1.441 1.00 41.22 H new ATOM 0 HB1 ALA A 27 3.558 -6.565 -3.562 1.00 45.45 H new ATOM 0 HB2 ALA A 27 4.671 -7.941 -3.375 1.00 45.45 H new ATOM 0 HB3 ALA A 27 3.271 -8.071 -4.465 1.00 45.45 H new ATOM 387 N TRP A 28 1.113 -6.426 -2.335 1.00 15.13 N ATOM 388 CA TRP A 28 -0.227 -5.861 -2.448 1.00 10.12 C ATOM 389 C TRP A 28 -0.361 -5.029 -3.719 1.00 73.12 C ATOM 390 O TRP A 28 0.519 -4.234 -4.048 1.00 41.44 O ATOM 391 CB TRP A 28 -0.545 -4.999 -1.225 1.00 42.13 C ATOM 392 CG TRP A 28 -1.080 -5.786 -0.068 1.00 15.33 C ATOM 393 CD1 TRP A 28 -0.485 -5.963 1.149 1.00 64.44 C ATOM 394 CD2 TRP A 28 -2.318 -6.503 -0.019 1.00 34.14 C ATOM 395 NE1 TRP A 28 -1.279 -6.748 1.951 1.00 12.33 N ATOM 396 CE2 TRP A 28 -2.410 -7.091 1.258 1.00 1.44 C ATOM 397 CE3 TRP A 28 -3.360 -6.704 -0.928 1.00 31.02 C ATOM 398 CZ2 TRP A 28 -3.499 -7.866 1.645 1.00 34.24 C ATOM 399 CZ3 TRP A 28 -4.442 -7.474 -0.543 1.00 42.41 C ATOM 400 CH2 TRP A 28 -4.505 -8.047 0.734 1.00 32.12 C ATOM 0 H TRP A 28 1.838 -5.748 -2.101 1.00 15.13 H new ATOM 0 HA TRP A 28 -0.938 -6.685 -2.498 1.00 10.12 H new ATOM 0 HB2 TRP A 28 0.359 -4.476 -0.913 1.00 42.13 H new ATOM 0 HB3 TRP A 28 -1.273 -4.238 -1.505 1.00 42.13 H new ATOM 0 HD1 TRP A 28 0.469 -5.547 1.438 1.00 64.44 H new ATOM 0 HE1 TRP A 28 -1.061 -7.029 2.907 1.00 12.33 H new ATOM 0 HE3 TRP A 28 -3.321 -6.266 -1.914 1.00 31.02 H new ATOM 0 HZ2 TRP A 28 -3.549 -8.309 2.629 1.00 34.24 H new ATOM 0 HZ3 TRP A 28 -5.252 -7.636 -1.238 1.00 42.41 H new ATOM 0 HH2 TRP A 28 -5.364 -8.643 1.005 1.00 32.12 H new ATOM 411 N VAL A 29 -1.468 -5.218 -4.431 1.00 24.52 N ATOM 412 CA VAL A 29 -1.717 -4.484 -5.666 1.00 32.31 C ATOM 413 C VAL A 29 -3.132 -3.917 -5.693 1.00 33.03 C ATOM 414 O VAL A 29 -4.080 -4.568 -5.253 1.00 54.12 O ATOM 415 CB VAL A 29 -1.511 -5.379 -6.902 1.00 60.34 C ATOM 416 CG1 VAL A 29 -0.030 -5.619 -7.148 1.00 4.13 C ATOM 417 CG2 VAL A 29 -2.253 -6.697 -6.734 1.00 64.21 C ATOM 0 H VAL A 29 -2.206 -5.873 -4.174 1.00 24.52 H new ATOM 0 HA VAL A 29 -1.000 -3.664 -5.697 1.00 32.31 H new ATOM 0 HB VAL A 29 -1.920 -4.866 -7.773 1.00 60.34 H new ATOM 0 HG11 VAL A 29 0.095 -6.253 -8.025 1.00 4.13 H new ATOM 0 HG12 VAL A 29 0.470 -4.665 -7.316 1.00 4.13 H new ATOM 0 HG13 VAL A 29 0.408 -6.111 -6.279 1.00 4.13 H new ATOM 0 HG21 VAL A 29 -2.097 -7.318 -7.616 1.00 64.21 H new ATOM 0 HG22 VAL A 29 -1.876 -7.217 -5.853 1.00 64.21 H new ATOM 0 HG23 VAL A 29 -3.318 -6.502 -6.612 1.00 64.21 H new ATOM 427 N ARG A 30 -3.266 -2.701 -6.210 1.00 53.32 N ATOM 428 CA ARG A 30 -4.566 -2.045 -6.294 1.00 20.42 C ATOM 429 C ARG A 30 -5.076 -2.028 -7.732 1.00 24.54 C ATOM 430 O ARG A 30 -4.301 -1.866 -8.674 1.00 43.22 O ATOM 431 CB ARG A 30 -4.476 -0.617 -5.757 1.00 14.45 C ATOM 432 CG ARG A 30 -5.823 0.078 -5.642 1.00 32.13 C ATOM 433 CD ARG A 30 -5.780 1.480 -6.230 1.00 0.04 C ATOM 434 NE ARG A 30 -5.512 1.463 -7.665 1.00 41.52 N ATOM 435 CZ ARG A 30 -5.043 2.509 -8.337 1.00 74.12 C ATOM 436 NH1 ARG A 30 -4.790 3.647 -7.706 1.00 70.14 N ATOM 437 NH2 ARG A 30 -4.825 2.416 -9.643 1.00 33.25 N ATOM 0 H ARG A 30 -2.491 -2.149 -6.577 1.00 53.32 H new ATOM 0 HA ARG A 30 -5.270 -2.612 -5.684 1.00 20.42 H new ATOM 0 HB2 ARG A 30 -4.002 -0.636 -4.776 1.00 14.45 H new ATOM 0 HB3 ARG A 30 -3.830 -0.032 -6.412 1.00 14.45 H new ATOM 0 HG2 ARG A 30 -6.582 -0.510 -6.157 1.00 32.13 H new ATOM 0 HG3 ARG A 30 -6.118 0.131 -4.594 1.00 32.13 H new ATOM 0 HD2 ARG A 30 -6.731 1.980 -6.045 1.00 0.04 H new ATOM 0 HD3 ARG A 30 -5.010 2.062 -5.724 1.00 0.04 H new ATOM 0 HE ARG A 30 -5.695 0.602 -8.180 1.00 41.52 H new ATOM 0 HH11 ARG A 30 -4.955 3.721 -6.702 1.00 70.14 H new ATOM 0 HH12 ARG A 30 -4.430 4.448 -8.224 1.00 70.14 H new ATOM 0 HH21 ARG A 30 -5.018 1.541 -10.131 1.00 33.25 H new ATOM 0 HH22 ARG A 30 -4.465 3.219 -10.158 1.00 33.25 H new ATOM 451 N CYS A 31 -6.383 -2.199 -7.893 1.00 34.21 N ATOM 452 CA CYS A 31 -6.998 -2.205 -9.215 1.00 51.24 C ATOM 453 C CYS A 31 -7.112 -0.787 -9.768 1.00 1.21 C ATOM 454 O CYS A 31 -7.482 0.142 -9.051 1.00 31.14 O ATOM 455 CB CYS A 31 -8.382 -2.853 -9.155 1.00 71.32 C ATOM 456 SG CYS A 31 -9.203 -3.006 -10.774 1.00 2.32 S ATOM 0 H CYS A 31 -7.038 -2.336 -7.123 1.00 34.21 H new ATOM 0 HA CYS A 31 -6.361 -2.787 -9.881 1.00 51.24 H new ATOM 0 HB2 CYS A 31 -8.288 -3.845 -8.712 1.00 71.32 H new ATOM 0 HB3 CYS A 31 -9.017 -2.266 -8.491 1.00 71.32 H new ATOM 0 HG CYS A 31 -9.914 -4.094 -10.799 1.00 2.32 H new ATOM 461 N ASP A 32 -6.790 -0.630 -11.047 1.00 44.32 N ATOM 462 CA ASP A 32 -6.857 0.673 -11.698 1.00 53.51 C ATOM 463 C ASP A 32 -8.184 0.848 -12.430 1.00 35.45 C ATOM 464 O ASP A 32 -8.243 1.469 -13.490 1.00 44.54 O ATOM 465 CB ASP A 32 -5.695 0.838 -12.678 1.00 61.04 C ATOM 466 CG ASP A 32 -5.274 2.286 -12.839 1.00 3.42 C ATOM 467 OD1 ASP A 32 -6.143 3.126 -13.154 1.00 64.15 O ATOM 468 OD2 ASP A 32 -4.075 2.579 -12.648 1.00 3.54 O ATOM 0 H ASP A 32 -6.480 -1.389 -11.654 1.00 44.32 H new ATOM 0 HA ASP A 32 -6.784 1.440 -10.927 1.00 53.51 H new ATOM 0 HB2 ASP A 32 -4.844 0.252 -12.330 1.00 61.04 H new ATOM 0 HB3 ASP A 32 -5.983 0.436 -13.649 1.00 61.04 H new ATOM 473 N ASP A 33 -9.248 0.295 -11.856 1.00 4.54 N ATOM 474 CA ASP A 33 -10.574 0.390 -12.453 1.00 32.11 C ATOM 475 C ASP A 33 -11.642 0.572 -11.379 1.00 13.04 C ATOM 476 O ASP A 33 -12.556 1.383 -11.528 1.00 2.04 O ATOM 477 CB ASP A 33 -10.874 -0.860 -13.281 1.00 62.03 C ATOM 478 CG ASP A 33 -12.028 -0.653 -14.244 1.00 25.23 C ATOM 479 OD1 ASP A 33 -13.176 -0.513 -13.774 1.00 22.41 O ATOM 480 OD2 ASP A 33 -11.781 -0.632 -15.467 1.00 40.44 O ATOM 0 H ASP A 33 -9.217 -0.223 -10.978 1.00 4.54 H new ATOM 0 HA ASP A 33 -10.590 1.262 -13.107 1.00 32.11 H new ATOM 0 HB2 ASP A 33 -9.983 -1.144 -13.841 1.00 62.03 H new ATOM 0 HB3 ASP A 33 -11.107 -1.688 -12.612 1.00 62.03 H new ATOM 485 N CYS A 34 -11.521 -0.189 -10.296 1.00 20.14 N ATOM 486 CA CYS A 34 -12.475 -0.114 -9.197 1.00 75.23 C ATOM 487 C CYS A 34 -11.781 0.295 -7.901 1.00 11.32 C ATOM 488 O CYS A 34 -12.435 0.586 -6.899 1.00 73.42 O ATOM 489 CB CYS A 34 -13.176 -1.461 -9.009 1.00 0.41 C ATOM 490 SG CYS A 34 -12.068 -2.810 -8.489 1.00 44.32 S ATOM 0 H CYS A 34 -10.770 -0.865 -10.157 1.00 20.14 H new ATOM 0 HA CYS A 34 -13.218 0.643 -9.446 1.00 75.23 H new ATOM 0 HB2 CYS A 34 -13.965 -1.347 -8.266 1.00 0.41 H new ATOM 0 HB3 CYS A 34 -13.658 -1.742 -9.946 1.00 0.41 H new ATOM 0 HG CYS A 34 -11.055 -2.877 -9.301 1.00 44.32 H new ATOM 495 N PHE A 35 -10.453 0.316 -7.929 1.00 5.45 N ATOM 496 CA PHE A 35 -9.669 0.689 -6.757 1.00 32.45 C ATOM 497 C PHE A 35 -9.900 -0.294 -5.612 1.00 71.41 C ATOM 498 O PHE A 35 -10.483 0.056 -4.586 1.00 21.43 O ATOM 499 CB PHE A 35 -10.030 2.107 -6.306 1.00 24.31 C ATOM 500 CG PHE A 35 -9.982 3.118 -7.415 1.00 62.45 C ATOM 501 CD1 PHE A 35 -8.769 3.584 -7.895 1.00 13.24 C ATOM 502 CD2 PHE A 35 -11.151 3.603 -7.978 1.00 73.24 C ATOM 503 CE1 PHE A 35 -8.721 4.514 -8.916 1.00 54.42 C ATOM 504 CE2 PHE A 35 -11.111 4.533 -9.000 1.00 72.52 C ATOM 505 CZ PHE A 35 -9.895 4.990 -9.468 1.00 2.52 C ATOM 0 H PHE A 35 -9.897 0.079 -8.750 1.00 5.45 H new ATOM 0 HA PHE A 35 -8.615 0.659 -7.032 1.00 32.45 H new ATOM 0 HB2 PHE A 35 -11.031 2.099 -5.875 1.00 24.31 H new ATOM 0 HB3 PHE A 35 -9.345 2.414 -5.515 1.00 24.31 H new ATOM 0 HD1 PHE A 35 -7.849 3.216 -7.466 1.00 13.24 H new ATOM 0 HD2 PHE A 35 -12.105 3.250 -7.614 1.00 73.24 H new ATOM 0 HE1 PHE A 35 -7.768 4.868 -9.282 1.00 54.42 H new ATOM 0 HE2 PHE A 35 -12.030 4.902 -9.432 1.00 72.52 H new ATOM 0 HZ PHE A 35 -9.861 5.719 -10.265 1.00 2.52 H new ATOM 515 N LYS A 36 -9.439 -1.527 -5.797 1.00 73.11 N ATOM 516 CA LYS A 36 -9.594 -2.561 -4.782 1.00 65.52 C ATOM 517 C LYS A 36 -8.266 -3.263 -4.514 1.00 63.30 C ATOM 518 O LYS A 36 -7.507 -3.551 -5.440 1.00 10.21 O ATOM 519 CB LYS A 36 -10.643 -3.585 -5.224 1.00 14.10 C ATOM 520 CG LYS A 36 -11.119 -4.491 -4.102 1.00 53.00 C ATOM 521 CD LYS A 36 -11.913 -3.720 -3.061 1.00 42.03 C ATOM 522 CE LYS A 36 -13.189 -3.139 -3.651 1.00 63.04 C ATOM 523 NZ LYS A 36 -14.400 -3.598 -2.914 1.00 41.51 N ATOM 0 H LYS A 36 -8.955 -1.834 -6.641 1.00 73.11 H new ATOM 0 HA LYS A 36 -9.926 -2.084 -3.860 1.00 65.52 H new ATOM 0 HB2 LYS A 36 -11.500 -3.057 -5.642 1.00 14.10 H new ATOM 0 HB3 LYS A 36 -10.226 -4.198 -6.023 1.00 14.10 H new ATOM 0 HG2 LYS A 36 -11.737 -5.289 -4.515 1.00 53.00 H new ATOM 0 HG3 LYS A 36 -10.260 -4.966 -3.628 1.00 53.00 H new ATOM 0 HD2 LYS A 36 -12.163 -4.380 -2.230 1.00 42.03 H new ATOM 0 HD3 LYS A 36 -11.299 -2.916 -2.656 1.00 42.03 H new ATOM 0 HE2 LYS A 36 -13.139 -2.050 -3.625 1.00 63.04 H new ATOM 0 HE3 LYS A 36 -13.270 -3.429 -4.699 1.00 63.04 H new ATOM 0 HZ1 LYS A 36 -15.249 -3.180 -3.346 1.00 41.51 H new ATOM 0 HZ2 LYS A 36 -14.462 -4.635 -2.960 1.00 41.51 H new ATOM 0 HZ3 LYS A 36 -14.335 -3.299 -1.920 1.00 41.51 H new ATOM 537 N TRP A 37 -7.993 -3.536 -3.244 1.00 61.33 N ATOM 538 CA TRP A 37 -6.757 -4.206 -2.855 1.00 33.33 C ATOM 539 C TRP A 37 -6.783 -5.676 -3.261 1.00 23.23 C ATOM 540 O TRP A 37 -7.823 -6.330 -3.189 1.00 41.11 O ATOM 541 CB TRP A 37 -6.540 -4.084 -1.346 1.00 23.21 C ATOM 542 CG TRP A 37 -5.733 -2.883 -0.957 1.00 23.20 C ATOM 543 CD1 TRP A 37 -6.052 -1.954 -0.008 1.00 31.11 C ATOM 544 CD2 TRP A 37 -4.474 -2.480 -1.508 1.00 72.53 C ATOM 545 NE1 TRP A 37 -5.067 -0.998 0.063 1.00 33.41 N ATOM 546 CE2 TRP A 37 -4.089 -1.299 -0.847 1.00 25.23 C ATOM 547 CE3 TRP A 37 -3.636 -3.005 -2.496 1.00 10.41 C ATOM 548 CZ2 TRP A 37 -2.900 -0.634 -1.142 1.00 35.23 C ATOM 549 CZ3 TRP A 37 -2.458 -2.343 -2.788 1.00 22.41 C ATOM 550 CH2 TRP A 37 -2.099 -1.170 -2.113 1.00 44.51 C ATOM 0 H TRP A 37 -8.610 -3.304 -2.466 1.00 61.33 H new ATOM 0 HA TRP A 37 -5.931 -3.720 -3.374 1.00 33.33 H new ATOM 0 HB2 TRP A 37 -7.509 -4.038 -0.849 1.00 23.21 H new ATOM 0 HB3 TRP A 37 -6.039 -4.982 -0.984 1.00 23.21 H new ATOM 0 HD1 TRP A 37 -6.946 -1.968 0.597 1.00 31.11 H new ATOM 0 HE1 TRP A 37 -5.065 -0.195 0.692 1.00 33.41 H new ATOM 0 HE3 TRP A 37 -3.904 -3.910 -3.021 1.00 10.41 H new ATOM 0 HZ2 TRP A 37 -2.621 0.271 -0.623 1.00 35.23 H new ATOM 0 HZ3 TRP A 37 -1.803 -2.738 -3.550 1.00 22.41 H new ATOM 0 HH2 TRP A 37 -1.171 -0.678 -2.364 1.00 44.51 H new ATOM 561 N ARG A 38 -5.632 -6.188 -3.685 1.00 52.13 N ATOM 562 CA ARG A 38 -5.525 -7.581 -4.102 1.00 64.23 C ATOM 563 C ARG A 38 -4.157 -8.152 -3.742 1.00 41.42 C ATOM 564 O ARG A 38 -3.123 -7.605 -4.128 1.00 51.13 O ATOM 565 CB ARG A 38 -5.760 -7.704 -5.609 1.00 10.01 C ATOM 566 CG ARG A 38 -6.725 -8.816 -5.987 1.00 1.13 C ATOM 567 CD ARG A 38 -8.123 -8.278 -6.243 1.00 35.03 C ATOM 568 NE ARG A 38 -9.106 -9.350 -6.382 1.00 50.12 N ATOM 569 CZ ARG A 38 -10.419 -9.156 -6.324 1.00 12.24 C ATOM 570 NH1 ARG A 38 -10.904 -7.936 -6.131 1.00 62.23 N ATOM 571 NH2 ARG A 38 -11.249 -10.181 -6.460 1.00 22.20 N ATOM 0 H ARG A 38 -4.762 -5.660 -3.749 1.00 52.13 H new ATOM 0 HA ARG A 38 -6.289 -8.152 -3.574 1.00 64.23 H new ATOM 0 HB2 ARG A 38 -6.145 -6.757 -5.986 1.00 10.01 H new ATOM 0 HB3 ARG A 38 -4.805 -7.880 -6.104 1.00 10.01 H new ATOM 0 HG2 ARG A 38 -6.362 -9.327 -6.879 1.00 1.13 H new ATOM 0 HG3 ARG A 38 -6.760 -9.556 -5.188 1.00 1.13 H new ATOM 0 HD2 ARG A 38 -8.415 -7.623 -5.422 1.00 35.03 H new ATOM 0 HD3 ARG A 38 -8.118 -7.672 -7.149 1.00 35.03 H new ATOM 0 HE ARG A 38 -8.765 -10.300 -6.532 1.00 50.12 H new ATOM 0 HH11 ARG A 38 -10.268 -7.145 -6.027 1.00 62.23 H new ATOM 0 HH12 ARG A 38 -11.912 -7.789 -6.087 1.00 62.23 H new ATOM 0 HH21 ARG A 38 -10.880 -11.120 -6.609 1.00 22.20 H new ATOM 0 HH22 ARG A 38 -12.257 -10.031 -6.415 1.00 22.20 H new ATOM 585 N ARG A 39 -4.157 -9.255 -3.001 1.00 71.23 N ATOM 586 CA ARG A 39 -2.917 -9.899 -2.588 1.00 20.44 C ATOM 587 C ARG A 39 -2.416 -10.857 -3.665 1.00 33.53 C ATOM 588 O ARG A 39 -3.131 -11.772 -4.076 1.00 51.33 O ATOM 589 CB ARG A 39 -3.123 -10.655 -1.274 1.00 13.12 C ATOM 590 CG ARG A 39 -1.881 -10.704 -0.398 1.00 62.11 C ATOM 591 CD ARG A 39 -1.769 -12.033 0.334 1.00 4.44 C ATOM 592 NE ARG A 39 -0.724 -12.008 1.355 1.00 73.23 N ATOM 593 CZ ARG A 39 -0.175 -13.101 1.871 1.00 31.52 C ATOM 594 NH1 ARG A 39 -0.569 -14.300 1.463 1.00 21.34 N ATOM 595 NH2 ARG A 39 0.769 -12.998 2.797 1.00 50.52 N ATOM 0 H ARG A 39 -5.003 -9.721 -2.674 1.00 71.23 H new ATOM 0 HA ARG A 39 -2.166 -9.123 -2.439 1.00 20.44 H new ATOM 0 HB2 ARG A 39 -3.932 -10.183 -0.716 1.00 13.12 H new ATOM 0 HB3 ARG A 39 -3.441 -11.674 -1.497 1.00 13.12 H new ATOM 0 HG2 ARG A 39 -0.994 -10.550 -1.013 1.00 62.11 H new ATOM 0 HG3 ARG A 39 -1.912 -9.890 0.326 1.00 62.11 H new ATOM 0 HD2 ARG A 39 -2.725 -12.273 0.799 1.00 4.44 H new ATOM 0 HD3 ARG A 39 -1.556 -12.826 -0.383 1.00 4.44 H new ATOM 0 HE ARG A 39 -0.399 -11.101 1.690 1.00 73.23 H new ATOM 0 HH11 ARG A 39 -1.295 -14.383 0.751 1.00 21.34 H new ATOM 0 HH12 ARG A 39 -0.146 -15.139 1.861 1.00 21.34 H new ATOM 0 HH21 ARG A 39 1.074 -12.078 3.114 1.00 50.52 H new ATOM 0 HH22 ARG A 39 1.190 -13.839 3.192 1.00 50.52 H new ATOM 609 N ILE A 40 -1.185 -10.641 -4.116 1.00 74.21 N ATOM 610 CA ILE A 40 -0.590 -11.485 -5.144 1.00 60.24 C ATOM 611 C ILE A 40 0.777 -12.000 -4.708 1.00 63.53 C ATOM 612 O ILE A 40 1.476 -11.379 -3.908 1.00 43.23 O ATOM 613 CB ILE A 40 -0.441 -10.728 -6.477 1.00 32.31 C ATOM 614 CG1 ILE A 40 0.707 -9.721 -6.390 1.00 50.35 C ATOM 615 CG2 ILE A 40 -1.742 -10.027 -6.837 1.00 64.13 C ATOM 616 CD1 ILE A 40 0.839 -8.848 -7.619 1.00 31.04 C ATOM 0 H ILE A 40 -0.581 -9.889 -3.786 1.00 74.21 H new ATOM 0 HA ILE A 40 -1.264 -12.329 -5.289 1.00 60.24 H new ATOM 0 HB ILE A 40 -0.210 -11.447 -7.263 1.00 32.31 H new ATOM 0 HG12 ILE A 40 0.557 -9.086 -5.517 1.00 50.35 H new ATOM 0 HG13 ILE A 40 1.642 -10.260 -6.235 1.00 50.35 H new ATOM 0 HG21 ILE A 40 -1.620 -9.497 -7.781 1.00 64.13 H new ATOM 0 HG22 ILE A 40 -2.538 -10.765 -6.935 1.00 64.13 H new ATOM 0 HG23 ILE A 40 -2.001 -9.316 -6.053 1.00 64.13 H new ATOM 0 HD11 ILE A 40 1.673 -8.158 -7.488 1.00 31.04 H new ATOM 0 HD12 ILE A 40 1.020 -9.474 -8.492 1.00 31.04 H new ATOM 0 HD13 ILE A 40 -0.081 -8.282 -7.763 1.00 31.04 H new ATOM 628 N PRO A 41 1.171 -13.163 -5.249 1.00 3.10 N ATOM 629 CA PRO A 41 2.460 -13.787 -4.933 1.00 14.11 C ATOM 630 C PRO A 41 3.637 -13.008 -5.508 1.00 22.32 C ATOM 631 O PRO A 41 3.486 -12.260 -6.474 1.00 23.02 O ATOM 632 CB PRO A 41 2.357 -15.166 -5.590 1.00 13.40 C ATOM 633 CG PRO A 41 1.374 -14.986 -6.695 1.00 21.11 C ATOM 634 CD PRO A 41 0.389 -13.958 -6.211 1.00 34.34 C ATOM 0 HA PRO A 41 2.643 -13.825 -3.859 1.00 14.11 H new ATOM 0 HB2 PRO A 41 3.324 -15.497 -5.970 1.00 13.40 H new ATOM 0 HB3 PRO A 41 2.019 -15.919 -4.878 1.00 13.40 H new ATOM 0 HG2 PRO A 41 1.869 -14.653 -7.607 1.00 21.11 H new ATOM 0 HG3 PRO A 41 0.874 -15.926 -6.929 1.00 21.11 H new ATOM 0 HD2 PRO A 41 0.015 -13.343 -7.030 1.00 34.34 H new ATOM 0 HD3 PRO A 41 -0.477 -14.422 -5.739 1.00 34.34 H new ATOM 642 N ALA A 42 4.810 -13.189 -4.909 1.00 41.11 N ATOM 643 CA ALA A 42 6.013 -12.505 -5.365 1.00 64.22 C ATOM 644 C ALA A 42 6.440 -13.002 -6.742 1.00 60.31 C ATOM 645 O ALA A 42 7.289 -12.397 -7.395 1.00 63.40 O ATOM 646 CB ALA A 42 7.141 -12.696 -4.361 1.00 41.02 C ATOM 0 H ALA A 42 4.952 -13.803 -4.107 1.00 41.11 H new ATOM 0 HA ALA A 42 5.787 -11.442 -5.445 1.00 64.22 H new ATOM 0 HB1 ALA A 42 8.034 -12.180 -4.714 1.00 41.02 H new ATOM 0 HB2 ALA A 42 6.843 -12.286 -3.396 1.00 41.02 H new ATOM 0 HB3 ALA A 42 7.356 -13.759 -4.253 1.00 41.02 H new ATOM 652 N SER A 43 5.844 -14.108 -7.177 1.00 11.31 N ATOM 653 CA SER A 43 6.166 -14.688 -8.475 1.00 75.54 C ATOM 654 C SER A 43 5.514 -13.894 -9.602 1.00 42.45 C ATOM 655 O SER A 43 6.102 -13.709 -10.668 1.00 73.11 O ATOM 656 CB SER A 43 5.707 -16.147 -8.533 1.00 60.31 C ATOM 657 OG SER A 43 6.763 -16.998 -8.944 1.00 21.40 O ATOM 0 H SER A 43 5.136 -14.620 -6.650 1.00 11.31 H new ATOM 0 HA SER A 43 7.248 -14.648 -8.604 1.00 75.54 H new ATOM 0 HB2 SER A 43 5.346 -16.457 -7.552 1.00 60.31 H new ATOM 0 HB3 SER A 43 4.870 -16.241 -9.225 1.00 60.31 H new ATOM 0 HG SER A 43 6.445 -17.924 -8.971 1.00 21.40 H new ATOM 663 N VAL A 44 4.294 -13.425 -9.360 1.00 2.12 N ATOM 664 CA VAL A 44 3.561 -12.649 -10.352 1.00 62.31 C ATOM 665 C VAL A 44 3.803 -11.155 -10.170 1.00 41.10 C ATOM 666 O VAL A 44 3.766 -10.387 -11.131 1.00 60.34 O ATOM 667 CB VAL A 44 2.048 -12.926 -10.276 1.00 12.32 C ATOM 668 CG1 VAL A 44 1.461 -12.337 -9.001 1.00 24.50 C ATOM 669 CG2 VAL A 44 1.342 -12.369 -11.503 1.00 41.14 C ATOM 0 H VAL A 44 3.792 -13.570 -8.484 1.00 2.12 H new ATOM 0 HA VAL A 44 3.930 -12.957 -11.330 1.00 62.31 H new ATOM 0 HB VAL A 44 1.894 -14.005 -10.255 1.00 12.32 H new ATOM 0 HG11 VAL A 44 0.391 -12.542 -8.964 1.00 24.50 H new ATOM 0 HG12 VAL A 44 1.947 -12.787 -8.135 1.00 24.50 H new ATOM 0 HG13 VAL A 44 1.624 -11.259 -8.989 1.00 24.50 H new ATOM 0 HG21 VAL A 44 0.274 -12.574 -11.432 1.00 41.14 H new ATOM 0 HG22 VAL A 44 1.502 -11.292 -11.557 1.00 41.14 H new ATOM 0 HG23 VAL A 44 1.743 -12.841 -12.400 1.00 41.14 H new ATOM 679 N VAL A 45 4.053 -10.749 -8.930 1.00 3.44 N ATOM 680 CA VAL A 45 4.304 -9.346 -8.620 1.00 73.14 C ATOM 681 C VAL A 45 5.443 -8.791 -9.469 1.00 31.02 C ATOM 682 O VAL A 45 5.516 -7.589 -9.718 1.00 51.24 O ATOM 683 CB VAL A 45 4.646 -9.151 -7.131 1.00 21.31 C ATOM 684 CG1 VAL A 45 6.131 -9.378 -6.891 1.00 14.35 C ATOM 685 CG2 VAL A 45 4.226 -7.766 -6.665 1.00 2.54 C ATOM 0 H VAL A 45 4.087 -11.372 -8.123 1.00 3.44 H new ATOM 0 HA VAL A 45 3.387 -8.803 -8.848 1.00 73.14 H new ATOM 0 HB VAL A 45 4.092 -9.887 -6.548 1.00 21.31 H new ATOM 0 HG11 VAL A 45 6.355 -9.236 -5.834 1.00 14.35 H new ATOM 0 HG12 VAL A 45 6.396 -10.394 -7.185 1.00 14.35 H new ATOM 0 HG13 VAL A 45 6.708 -8.667 -7.482 1.00 14.35 H new ATOM 0 HG21 VAL A 45 4.475 -7.646 -5.611 1.00 2.54 H new ATOM 0 HG22 VAL A 45 4.750 -7.011 -7.250 1.00 2.54 H new ATOM 0 HG23 VAL A 45 3.151 -7.647 -6.799 1.00 2.54 H new ATOM 695 N GLY A 46 6.330 -9.677 -9.910 1.00 63.14 N ATOM 696 CA GLY A 46 7.454 -9.257 -10.727 1.00 22.52 C ATOM 697 C GLY A 46 7.226 -9.514 -12.203 1.00 1.04 C ATOM 698 O GLY A 46 8.179 -9.613 -12.977 1.00 11.30 O ATOM 0 H GLY A 46 6.291 -10.678 -9.716 1.00 63.14 H new ATOM 0 HA2 GLY A 46 7.636 -8.194 -10.570 1.00 22.52 H new ATOM 0 HA3 GLY A 46 8.351 -9.785 -10.404 1.00 22.52 H new ATOM 702 N SER A 47 5.961 -9.626 -12.595 1.00 23.32 N ATOM 703 CA SER A 47 5.611 -9.879 -13.988 1.00 30.23 C ATOM 704 C SER A 47 4.468 -8.973 -14.434 1.00 4.24 C ATOM 705 O SER A 47 4.473 -8.455 -15.552 1.00 22.52 O ATOM 706 CB SER A 47 5.219 -11.346 -14.178 1.00 14.43 C ATOM 707 OG SER A 47 6.082 -12.203 -13.453 1.00 24.34 O ATOM 0 H SER A 47 5.161 -9.546 -11.967 1.00 23.32 H new ATOM 0 HA SER A 47 6.484 -9.661 -14.602 1.00 30.23 H new ATOM 0 HB2 SER A 47 4.191 -11.496 -13.848 1.00 14.43 H new ATOM 0 HB3 SER A 47 5.254 -11.601 -15.237 1.00 14.43 H new ATOM 0 HG SER A 47 5.674 -12.423 -12.589 1.00 24.34 H new ATOM 713 N ILE A 48 3.492 -8.785 -13.553 1.00 40.11 N ATOM 714 CA ILE A 48 2.343 -7.941 -13.855 1.00 75.34 C ATOM 715 C ILE A 48 2.744 -6.472 -13.931 1.00 23.22 C ATOM 716 O ILE A 48 2.069 -5.665 -14.570 1.00 32.12 O ATOM 717 CB ILE A 48 1.232 -8.104 -12.801 1.00 70.22 C ATOM 718 CG1 ILE A 48 1.760 -7.743 -11.411 1.00 24.30 C ATOM 719 CG2 ILE A 48 0.692 -9.527 -12.817 1.00 15.52 C ATOM 720 CD1 ILE A 48 1.305 -6.385 -10.926 1.00 5.14 C ATOM 0 H ILE A 48 3.474 -9.206 -12.624 1.00 40.11 H new ATOM 0 HA ILE A 48 1.963 -8.262 -14.825 1.00 75.34 H new ATOM 0 HB ILE A 48 0.416 -7.424 -13.046 1.00 70.22 H new ATOM 0 HG12 ILE A 48 1.435 -8.502 -10.699 1.00 24.30 H new ATOM 0 HG13 ILE A 48 2.850 -7.768 -11.427 1.00 24.30 H new ATOM 0 HG21 ILE A 48 -0.092 -9.627 -12.067 1.00 15.52 H new ATOM 0 HG22 ILE A 48 0.282 -9.750 -13.802 1.00 15.52 H new ATOM 0 HG23 ILE A 48 1.499 -10.225 -12.593 1.00 15.52 H new ATOM 0 HD11 ILE A 48 1.717 -6.196 -9.935 1.00 5.14 H new ATOM 0 HD12 ILE A 48 1.653 -5.617 -11.616 1.00 5.14 H new ATOM 0 HD13 ILE A 48 0.216 -6.362 -10.877 1.00 5.14 H new ATOM 805 N TRP A 54 -2.443 -2.599 -12.891 1.00 43.43 N ATOM 806 CA TRP A 54 -2.970 -3.915 -12.550 1.00 35.34 C ATOM 807 C TRP A 54 -4.473 -3.852 -12.302 1.00 53.01 C ATOM 808 O TRP A 54 -4.983 -2.862 -11.777 1.00 60.20 O ATOM 809 CB TRP A 54 -2.260 -4.467 -11.313 1.00 1.53 C ATOM 810 CG TRP A 54 -2.675 -5.863 -10.961 1.00 53.41 C ATOM 811 CD1 TRP A 54 -2.000 -7.015 -11.245 1.00 62.42 C ATOM 812 CD2 TRP A 54 -3.862 -6.253 -10.262 1.00 22.23 C ATOM 813 NE1 TRP A 54 -2.695 -8.098 -10.765 1.00 64.15 N ATOM 814 CE2 TRP A 54 -3.841 -7.657 -10.157 1.00 23.52 C ATOM 815 CE3 TRP A 54 -4.939 -5.553 -9.713 1.00 33.33 C ATOM 816 CZ2 TRP A 54 -4.855 -8.372 -9.526 1.00 73.40 C ATOM 817 CZ3 TRP A 54 -5.947 -6.264 -9.087 1.00 65.13 C ATOM 818 CH2 TRP A 54 -5.898 -7.661 -8.998 1.00 34.31 C ATOM 0 HA TRP A 54 -2.787 -4.581 -13.393 1.00 35.34 H new ATOM 0 HB2 TRP A 54 -1.183 -4.448 -11.483 1.00 1.53 H new ATOM 0 HB3 TRP A 54 -2.461 -3.812 -10.465 1.00 1.53 H new ATOM 0 HD1 TRP A 54 -1.058 -7.067 -11.770 1.00 62.42 H new ATOM 0 HE1 TRP A 54 -2.405 -9.072 -10.848 1.00 64.15 H new ATOM 0 HE3 TRP A 54 -4.984 -4.476 -9.776 1.00 33.33 H new ATOM 0 HZ2 TRP A 54 -4.820 -9.449 -9.456 1.00 73.40 H new ATOM 0 HZ3 TRP A 54 -6.785 -5.733 -8.660 1.00 65.13 H new ATOM 0 HH2 TRP A 54 -6.700 -8.188 -8.502 1.00 34.31 H new ATOM 829 N ILE A 55 -5.176 -4.913 -12.682 1.00 61.30 N ATOM 830 CA ILE A 55 -6.621 -4.977 -12.500 1.00 30.13 C ATOM 831 C ILE A 55 -7.050 -6.347 -11.986 1.00 13.14 C ATOM 832 O ILE A 55 -6.279 -7.305 -12.022 1.00 64.42 O ATOM 833 CB ILE A 55 -7.368 -4.677 -13.813 1.00 35.22 C ATOM 834 CG1 ILE A 55 -6.694 -5.393 -14.984 1.00 73.44 C ATOM 835 CG2 ILE A 55 -7.420 -3.177 -14.061 1.00 15.22 C ATOM 836 CD1 ILE A 55 -7.320 -5.079 -16.325 1.00 21.30 C ATOM 0 H ILE A 55 -4.769 -5.740 -13.118 1.00 61.30 H new ATOM 0 HA ILE A 55 -6.880 -4.217 -11.763 1.00 30.13 H new ATOM 0 HB ILE A 55 -8.390 -5.047 -13.726 1.00 35.22 H new ATOM 0 HG12 ILE A 55 -5.640 -5.116 -15.010 1.00 73.44 H new ATOM 0 HG13 ILE A 55 -6.737 -6.469 -14.815 1.00 73.44 H new ATOM 0 HG21 ILE A 55 -7.951 -2.980 -14.992 1.00 15.22 H new ATOM 0 HG22 ILE A 55 -7.941 -2.690 -13.237 1.00 15.22 H new ATOM 0 HG23 ILE A 55 -6.406 -2.785 -14.132 1.00 15.22 H new ATOM 0 HD11 ILE A 55 -6.791 -5.621 -17.109 1.00 21.30 H new ATOM 0 HD12 ILE A 55 -8.367 -5.381 -16.317 1.00 21.30 H new ATOM 0 HD13 ILE A 55 -7.253 -4.008 -16.516 1.00 21.30 H new ATOM 848 N CYS A 56 -8.287 -6.432 -11.507 1.00 63.31 N ATOM 849 CA CYS A 56 -8.820 -7.685 -10.985 1.00 55.15 C ATOM 850 C CYS A 56 -8.754 -8.785 -12.041 1.00 14.21 C ATOM 851 O CYS A 56 -8.252 -9.878 -11.782 1.00 42.32 O ATOM 852 CB CYS A 56 -10.266 -7.494 -10.522 1.00 44.43 C ATOM 853 SG CYS A 56 -10.497 -6.115 -9.354 1.00 24.13 S ATOM 0 H CYS A 56 -8.939 -5.648 -11.470 1.00 63.31 H new ATOM 0 HA CYS A 56 -8.209 -7.985 -10.134 1.00 55.15 H new ATOM 0 HB2 CYS A 56 -10.897 -7.326 -11.395 1.00 44.43 H new ATOM 0 HB3 CYS A 56 -10.611 -8.415 -10.052 1.00 44.43 H new ATOM 0 HG CYS A 56 -11.236 -5.198 -9.905 1.00 24.13 H new ATOM 858 N MET A 57 -9.265 -8.488 -13.232 1.00 12.04 N ATOM 859 CA MET A 57 -9.262 -9.451 -14.326 1.00 53.14 C ATOM 860 C MET A 57 -7.840 -9.883 -14.666 1.00 63.14 C ATOM 861 O MET A 57 -7.628 -10.931 -15.275 1.00 75.34 O ATOM 862 CB MET A 57 -9.935 -8.851 -15.562 1.00 52.33 C ATOM 863 CG MET A 57 -9.314 -7.540 -16.017 1.00 31.13 C ATOM 864 SD MET A 57 -10.547 -6.271 -16.363 1.00 41.14 S ATOM 865 CE MET A 57 -11.037 -5.812 -14.703 1.00 45.41 C ATOM 0 H MET A 57 -9.686 -7.588 -13.463 1.00 12.04 H new ATOM 0 HA MET A 57 -9.822 -10.330 -14.006 1.00 53.14 H new ATOM 0 HB2 MET A 57 -9.883 -9.571 -16.379 1.00 52.33 H new ATOM 0 HB3 MET A 57 -10.991 -8.688 -15.347 1.00 52.33 H new ATOM 0 HG2 MET A 57 -8.633 -7.179 -15.247 1.00 31.13 H new ATOM 0 HG3 MET A 57 -8.718 -7.716 -16.913 1.00 31.13 H new ATOM 0 HE1 MET A 57 -11.409 -4.787 -14.704 1.00 45.41 H new ATOM 0 HE2 MET A 57 -11.823 -6.483 -14.357 1.00 45.41 H new ATOM 0 HE3 MET A 57 -10.178 -5.885 -14.037 1.00 45.41 H new ATOM 875 N ASN A 58 -6.868 -9.068 -14.270 1.00 4.31 N ATOM 876 CA ASN A 58 -5.465 -9.367 -14.534 1.00 2.13 C ATOM 877 C ASN A 58 -4.892 -10.282 -13.456 1.00 43.10 C ATOM 878 O ASN A 58 -3.777 -10.788 -13.586 1.00 74.32 O ATOM 879 CB ASN A 58 -4.651 -8.073 -14.606 1.00 62.12 C ATOM 880 CG ASN A 58 -4.499 -7.565 -16.027 1.00 43.11 C ATOM 881 OD1 ASN A 58 -5.590 -7.586 -16.784 1.00 41.31 O flip ATOM 882 ND2 ASN A 58 -3.412 -7.158 -16.439 1.00 13.35 N flip ATOM 0 H ASN A 58 -7.026 -8.196 -13.765 1.00 4.31 H new ATOM 0 HA ASN A 58 -5.403 -9.881 -15.493 1.00 2.13 H new ATOM 0 HB2 ASN A 58 -5.135 -7.308 -13.999 1.00 62.12 H new ATOM 0 HB3 ASN A 58 -3.664 -8.243 -14.176 1.00 62.12 H new ATOM 0 HD21 ASN A 58 -2.600 -7.160 -15.822 1.00 13.35 H new ATOM 0 HD22 ASN A 58 -3.324 -6.819 -17.397 1.00 13.35 H new ATOM 889 N ASN A 59 -5.661 -10.491 -12.394 1.00 55.01 N ATOM 890 CA ASN A 59 -5.230 -11.345 -11.293 1.00 64.11 C ATOM 891 C ASN A 59 -4.882 -12.743 -11.794 1.00 31.22 C ATOM 892 O ASN A 59 -5.369 -13.179 -12.837 1.00 22.01 O ATOM 893 CB ASN A 59 -6.325 -11.431 -10.227 1.00 44.11 C ATOM 894 CG ASN A 59 -5.802 -11.947 -8.901 1.00 25.11 C ATOM 895 OD1 ASN A 59 -4.597 -11.928 -8.647 1.00 21.42 O ATOM 896 ND2 ASN A 59 -6.707 -12.414 -8.049 1.00 41.30 N ATOM 0 H ASN A 59 -6.587 -10.081 -12.272 1.00 55.01 H new ATOM 0 HA ASN A 59 -4.337 -10.903 -10.851 1.00 64.11 H new ATOM 0 HB2 ASN A 59 -6.765 -10.444 -10.082 1.00 44.11 H new ATOM 0 HB3 ASN A 59 -7.121 -12.086 -10.580 1.00 44.11 H new ATOM 0 HD21 ASN A 59 -6.414 -12.776 -7.142 1.00 41.30 H new ATOM 0 HD22 ASN A 59 -7.695 -12.410 -8.302 1.00 41.30 H new ATOM 903 N SER A 60 -4.036 -13.441 -11.043 1.00 11.11 N ATOM 904 CA SER A 60 -3.619 -14.789 -11.413 1.00 14.23 C ATOM 905 C SER A 60 -4.711 -15.803 -11.086 1.00 61.41 C ATOM 906 O SER A 60 -4.800 -16.860 -11.713 1.00 3.21 O ATOM 907 CB SER A 60 -2.326 -15.163 -10.686 1.00 2.04 C ATOM 908 OG SER A 60 -1.521 -16.015 -11.483 1.00 10.01 O ATOM 0 H SER A 60 -3.626 -13.096 -10.175 1.00 11.11 H new ATOM 0 HA SER A 60 -3.441 -14.806 -12.488 1.00 14.23 H new ATOM 0 HB2 SER A 60 -1.770 -14.259 -10.438 1.00 2.04 H new ATOM 0 HB3 SER A 60 -2.564 -15.658 -9.745 1.00 2.04 H new ATOM 0 HG SER A 60 -0.700 -16.238 -10.997 1.00 10.01 H new ATOM 914 N ASP A 61 -5.539 -15.475 -10.100 1.00 53.21 N ATOM 915 CA ASP A 61 -6.627 -16.356 -9.690 1.00 24.32 C ATOM 916 C ASP A 61 -7.684 -16.460 -10.784 1.00 42.42 C ATOM 917 O ASP A 61 -7.504 -15.944 -11.888 1.00 71.10 O ATOM 918 CB ASP A 61 -7.262 -15.847 -8.395 1.00 32.12 C ATOM 919 CG ASP A 61 -7.587 -16.970 -7.430 1.00 73.12 C ATOM 920 OD1 ASP A 61 -8.373 -17.867 -7.805 1.00 3.35 O ATOM 921 OD2 ASP A 61 -7.057 -16.953 -6.300 1.00 0.52 O ATOM 0 H ASP A 61 -5.478 -14.606 -9.570 1.00 53.21 H new ATOM 0 HA ASP A 61 -6.212 -17.349 -9.516 1.00 24.32 H new ATOM 0 HB2 ASP A 61 -6.584 -15.143 -7.913 1.00 32.12 H new ATOM 0 HB3 ASP A 61 -8.174 -15.300 -8.632 1.00 32.12 H new ATOM 926 N LYS A 62 -8.787 -17.131 -10.471 1.00 34.10 N ATOM 927 CA LYS A 62 -9.875 -17.304 -11.426 1.00 72.04 C ATOM 928 C LYS A 62 -11.206 -16.871 -10.820 1.00 23.12 C ATOM 929 O LYS A 62 -12.047 -16.285 -11.500 1.00 72.34 O ATOM 930 CB LYS A 62 -9.958 -18.764 -11.877 1.00 52.23 C ATOM 931 CG LYS A 62 -9.847 -19.761 -10.737 1.00 13.25 C ATOM 932 CD LYS A 62 -8.564 -20.571 -10.827 1.00 53.31 C ATOM 933 CE LYS A 62 -8.062 -20.973 -9.449 1.00 73.42 C ATOM 934 NZ LYS A 62 -7.000 -22.013 -9.529 1.00 24.34 N ATOM 0 H LYS A 62 -8.951 -17.564 -9.562 1.00 34.10 H new ATOM 0 HA LYS A 62 -9.669 -16.674 -12.291 1.00 72.04 H new ATOM 0 HB2 LYS A 62 -10.904 -18.922 -12.396 1.00 52.23 H new ATOM 0 HB3 LYS A 62 -9.163 -18.959 -12.597 1.00 52.23 H new ATOM 0 HG2 LYS A 62 -9.878 -19.231 -9.785 1.00 13.25 H new ATOM 0 HG3 LYS A 62 -10.705 -20.433 -10.756 1.00 13.25 H new ATOM 0 HD2 LYS A 62 -8.738 -21.464 -11.427 1.00 53.31 H new ATOM 0 HD3 LYS A 62 -7.799 -19.987 -11.338 1.00 53.31 H new ATOM 0 HE2 LYS A 62 -7.673 -20.095 -8.934 1.00 73.42 H new ATOM 0 HE3 LYS A 62 -8.895 -21.349 -8.854 1.00 73.42 H new ATOM 0 HZ1 LYS A 62 -6.684 -22.261 -8.570 1.00 24.34 H new ATOM 0 HZ2 LYS A 62 -7.379 -22.860 -9.998 1.00 24.34 H new ATOM 0 HZ3 LYS A 62 -6.195 -21.646 -10.075 1.00 24.34 H new ATOM 948 N ARG A 63 -11.389 -17.164 -9.536 1.00 4.24 N ATOM 949 CA ARG A 63 -12.617 -16.804 -8.838 1.00 21.32 C ATOM 950 C ARG A 63 -12.541 -15.378 -8.302 1.00 1.22 C ATOM 951 O ARG A 63 -13.564 -14.744 -8.046 1.00 71.44 O ATOM 952 CB ARG A 63 -12.879 -17.780 -7.689 1.00 14.21 C ATOM 953 CG ARG A 63 -13.783 -18.940 -8.069 1.00 22.20 C ATOM 954 CD ARG A 63 -12.981 -20.129 -8.575 1.00 20.23 C ATOM 955 NE ARG A 63 -13.256 -21.342 -7.810 1.00 14.12 N ATOM 956 CZ ARG A 63 -12.842 -22.551 -8.173 1.00 41.34 C ATOM 957 NH1 ARG A 63 -12.137 -22.706 -9.285 1.00 25.04 N ATOM 958 NH2 ARG A 63 -13.133 -23.606 -7.425 1.00 32.34 N ATOM 0 H ARG A 63 -10.702 -17.650 -8.959 1.00 4.24 H new ATOM 0 HA ARG A 63 -13.440 -16.861 -9.550 1.00 21.32 H new ATOM 0 HB2 ARG A 63 -11.927 -18.174 -7.334 1.00 14.21 H new ATOM 0 HB3 ARG A 63 -13.329 -17.237 -6.858 1.00 14.21 H new ATOM 0 HG2 ARG A 63 -14.374 -19.240 -7.204 1.00 22.20 H new ATOM 0 HG3 ARG A 63 -14.485 -18.619 -8.839 1.00 22.20 H new ATOM 0 HD2 ARG A 63 -13.214 -20.303 -9.625 1.00 20.23 H new ATOM 0 HD3 ARG A 63 -11.917 -19.899 -8.519 1.00 20.23 H new ATOM 0 HE ARG A 63 -13.796 -21.256 -6.949 1.00 14.12 H new ATOM 0 HH11 ARG A 63 -11.912 -21.896 -9.863 1.00 25.04 H new ATOM 0 HH12 ARG A 63 -11.820 -23.635 -9.562 1.00 25.04 H new ATOM 0 HH21 ARG A 63 -13.676 -23.490 -6.569 1.00 32.34 H new ATOM 0 HH22 ARG A 63 -12.814 -24.533 -7.705 1.00 32.34 H new ATOM 972 N PHE A 64 -11.320 -14.879 -8.134 1.00 72.11 N ATOM 973 CA PHE A 64 -11.110 -13.529 -7.627 1.00 1.42 C ATOM 974 C PHE A 64 -10.391 -12.666 -8.660 1.00 33.13 C ATOM 975 O PHE A 64 -9.748 -11.674 -8.316 1.00 23.12 O ATOM 976 CB PHE A 64 -10.302 -13.568 -6.327 1.00 60.43 C ATOM 977 CG PHE A 64 -11.150 -13.747 -5.101 1.00 21.14 C ATOM 978 CD1 PHE A 64 -11.927 -14.883 -4.939 1.00 22.05 C ATOM 979 CD2 PHE A 64 -11.170 -12.780 -4.109 1.00 40.54 C ATOM 980 CE1 PHE A 64 -12.707 -15.052 -3.810 1.00 11.14 C ATOM 981 CE2 PHE A 64 -11.948 -12.942 -2.978 1.00 63.12 C ATOM 982 CZ PHE A 64 -12.718 -14.080 -2.830 1.00 13.23 C ATOM 0 H PHE A 64 -10.462 -15.390 -8.342 1.00 72.11 H new ATOM 0 HA PHE A 64 -12.086 -13.088 -7.426 1.00 1.42 H new ATOM 0 HB2 PHE A 64 -9.580 -14.382 -6.382 1.00 60.43 H new ATOM 0 HB3 PHE A 64 -9.733 -12.643 -6.234 1.00 60.43 H new ATOM 0 HD1 PHE A 64 -11.923 -15.645 -5.704 1.00 22.05 H new ATOM 0 HD2 PHE A 64 -10.570 -11.889 -4.221 1.00 40.54 H new ATOM 0 HE1 PHE A 64 -13.307 -15.943 -3.695 1.00 11.14 H new ATOM 0 HE2 PHE A 64 -11.954 -12.181 -2.212 1.00 63.12 H new ATOM 0 HZ PHE A 64 -13.328 -14.209 -1.948 1.00 13.23 H new ATOM 992 N ALA A 65 -10.504 -13.052 -9.926 1.00 31.23 N ATOM 993 CA ALA A 65 -9.867 -12.314 -11.009 1.00 42.12 C ATOM 994 C ALA A 65 -10.902 -11.590 -11.864 1.00 21.21 C ATOM 995 O ALA A 65 -11.115 -11.938 -13.025 1.00 41.21 O ATOM 996 CB ALA A 65 -9.034 -13.253 -11.869 1.00 61.31 C ATOM 0 H ALA A 65 -11.031 -13.872 -10.227 1.00 31.23 H new ATOM 0 HA ALA A 65 -9.211 -11.564 -10.567 1.00 42.12 H new ATOM 0 HB1 ALA A 65 -8.564 -12.688 -12.674 1.00 61.31 H new ATOM 0 HB2 ALA A 65 -8.264 -13.721 -11.256 1.00 61.31 H new ATOM 0 HB3 ALA A 65 -9.677 -14.024 -12.294 1.00 61.31 H new ATOM 1002 N ASP A 66 -11.542 -10.582 -11.281 1.00 64.25 N ATOM 1003 CA ASP A 66 -12.555 -9.809 -11.990 1.00 53.12 C ATOM 1004 C ASP A 66 -13.073 -8.667 -11.121 1.00 75.42 C ATOM 1005 O ASP A 66 -13.223 -8.815 -9.907 1.00 45.23 O ATOM 1006 CB ASP A 66 -13.714 -10.713 -12.413 1.00 15.11 C ATOM 1007 CG ASP A 66 -13.644 -11.098 -13.877 1.00 63.30 C ATOM 1008 OD1 ASP A 66 -13.229 -10.251 -14.695 1.00 33.31 O ATOM 1009 OD2 ASP A 66 -14.003 -12.249 -14.205 1.00 31.14 O ATOM 0 H ASP A 66 -11.377 -10.281 -10.320 1.00 64.25 H new ATOM 0 HA ASP A 66 -12.095 -9.383 -12.881 1.00 53.12 H new ATOM 0 HB2 ASP A 66 -13.708 -11.616 -11.802 1.00 15.11 H new ATOM 0 HB3 ASP A 66 -14.658 -10.203 -12.219 1.00 15.11 H new ATOM 1014 N CYS A 67 -13.346 -7.528 -11.750 1.00 71.41 N ATOM 1015 CA CYS A 67 -13.846 -6.361 -11.035 1.00 34.21 C ATOM 1016 C CYS A 67 -15.215 -6.644 -10.421 1.00 34.01 C ATOM 1017 O CYS A 67 -15.607 -6.017 -9.437 1.00 52.05 O ATOM 1018 CB CYS A 67 -13.938 -5.160 -11.978 1.00 50.44 C ATOM 1019 SG CYS A 67 -12.414 -4.165 -12.064 1.00 75.42 S ATOM 0 H CYS A 67 -13.229 -7.389 -12.754 1.00 71.41 H new ATOM 0 HA CYS A 67 -13.146 -6.132 -10.231 1.00 34.21 H new ATOM 0 HB2 CYS A 67 -14.184 -5.515 -12.979 1.00 50.44 H new ATOM 0 HB3 CYS A 67 -14.759 -4.520 -11.655 1.00 50.44 H new ATOM 0 HG CYS A 67 -12.174 -3.637 -10.901 1.00 75.42 H new ATOM 1024 N SER A 68 -15.937 -7.593 -11.009 1.00 23.43 N ATOM 1025 CA SER A 68 -17.262 -7.957 -10.522 1.00 60.31 C ATOM 1026 C SER A 68 -17.165 -8.736 -9.214 1.00 30.54 C ATOM 1027 O SER A 68 -18.092 -8.729 -8.403 1.00 52.34 O ATOM 1028 CB SER A 68 -18.002 -8.790 -11.571 1.00 2.03 C ATOM 1029 OG SER A 68 -19.100 -8.074 -12.108 1.00 35.02 O ATOM 0 H SER A 68 -15.626 -8.123 -11.823 1.00 23.43 H new ATOM 0 HA SER A 68 -17.819 -7.039 -10.337 1.00 60.31 H new ATOM 0 HB2 SER A 68 -17.316 -9.065 -12.372 1.00 2.03 H new ATOM 0 HB3 SER A 68 -18.354 -9.718 -11.121 1.00 2.03 H new ATOM 0 HG SER A 68 -19.555 -8.627 -12.777 1.00 35.02 H new ATOM 1035 N LYS A 69 -16.036 -9.408 -9.014 1.00 52.34 N ATOM 1036 CA LYS A 69 -15.815 -10.191 -7.805 1.00 5.31 C ATOM 1037 C LYS A 69 -15.744 -9.289 -6.577 1.00 55.53 C ATOM 1038 O LYS A 69 -15.940 -8.077 -6.673 1.00 41.24 O ATOM 1039 CB LYS A 69 -14.524 -11.004 -7.928 1.00 45.02 C ATOM 1040 CG LYS A 69 -14.504 -11.934 -9.129 1.00 3.13 C ATOM 1041 CD LYS A 69 -15.638 -12.944 -9.071 1.00 44.54 C ATOM 1042 CE LYS A 69 -16.833 -12.484 -9.892 1.00 32.52 C ATOM 1043 NZ LYS A 69 -17.523 -13.626 -10.554 1.00 50.01 N ATOM 0 H LYS A 69 -15.259 -9.426 -9.675 1.00 52.34 H new ATOM 0 HA LYS A 69 -16.657 -10.873 -7.685 1.00 5.31 H new ATOM 0 HB2 LYS A 69 -13.678 -10.320 -7.995 1.00 45.02 H new ATOM 0 HB3 LYS A 69 -14.387 -11.592 -7.021 1.00 45.02 H new ATOM 0 HG2 LYS A 69 -14.583 -11.349 -10.045 1.00 3.13 H new ATOM 0 HG3 LYS A 69 -13.550 -12.459 -9.168 1.00 3.13 H new ATOM 0 HD2 LYS A 69 -15.289 -13.907 -9.442 1.00 44.54 H new ATOM 0 HD3 LYS A 69 -15.942 -13.093 -8.035 1.00 44.54 H new ATOM 0 HE2 LYS A 69 -17.537 -11.959 -9.246 1.00 32.52 H new ATOM 0 HE3 LYS A 69 -16.502 -11.772 -10.648 1.00 32.52 H new ATOM 0 HZ1 LYS A 69 -18.332 -13.272 -11.104 1.00 50.01 H new ATOM 0 HZ2 LYS A 69 -16.858 -14.112 -11.190 1.00 50.01 H new ATOM 0 HZ3 LYS A 69 -17.861 -14.293 -9.831 1.00 50.01 H new ATOM 1057 N SER A 70 -15.462 -9.887 -5.424 1.00 13.53 N ATOM 1058 CA SER A 70 -15.368 -9.137 -4.177 1.00 13.11 C ATOM 1059 C SER A 70 -13.916 -9.002 -3.732 1.00 24.03 C ATOM 1060 O SER A 70 -13.007 -9.523 -4.378 1.00 50.04 O ATOM 1061 CB SER A 70 -16.188 -9.823 -3.082 1.00 10.43 C ATOM 1062 OG SER A 70 -17.577 -9.693 -3.328 1.00 61.45 O ATOM 0 H SER A 70 -15.295 -10.889 -5.327 1.00 13.53 H new ATOM 0 HA SER A 70 -15.770 -8.139 -4.351 1.00 13.11 H new ATOM 0 HB2 SER A 70 -15.922 -10.879 -3.031 1.00 10.43 H new ATOM 0 HB3 SER A 70 -15.945 -9.386 -2.113 1.00 10.43 H new ATOM 0 HG SER A 70 -18.079 -10.141 -2.615 1.00 61.45 H new ATOM 1068 N GLN A 71 -13.705 -8.301 -2.623 1.00 51.24 N ATOM 1069 CA GLN A 71 -12.363 -8.097 -2.091 1.00 72.14 C ATOM 1070 C GLN A 71 -11.845 -9.365 -1.421 1.00 12.23 C ATOM 1071 O GLN A 71 -12.616 -10.271 -1.106 1.00 42.00 O ATOM 1072 CB GLN A 71 -12.357 -6.939 -1.092 1.00 52.45 C ATOM 1073 CG GLN A 71 -10.964 -6.436 -0.752 1.00 34.13 C ATOM 1074 CD GLN A 71 -10.976 -5.044 -0.151 1.00 42.41 C ATOM 1075 OE1 GLN A 71 -12.036 -4.447 0.039 1.00 1.13 O ATOM 1076 NE2 GLN A 71 -9.795 -4.519 0.153 1.00 44.45 N ATOM 0 H GLN A 71 -14.447 -7.865 -2.075 1.00 51.24 H new ATOM 0 HA GLN A 71 -11.703 -7.852 -2.923 1.00 72.14 H new ATOM 0 HB2 GLN A 71 -12.942 -6.115 -1.500 1.00 52.45 H new ATOM 0 HB3 GLN A 71 -12.853 -7.258 -0.175 1.00 52.45 H new ATOM 0 HG2 GLN A 71 -10.494 -7.126 -0.051 1.00 34.13 H new ATOM 0 HG3 GLN A 71 -10.353 -6.433 -1.655 1.00 34.13 H new ATOM 0 HE21 GLN A 71 -8.941 -5.049 -0.021 1.00 44.45 H new ATOM 0 HE22 GLN A 71 -9.742 -3.586 0.561 1.00 44.45 H new ATOM 1085 N GLU A 72 -10.535 -9.421 -1.205 1.00 21.03 N ATOM 1086 CA GLU A 72 -9.914 -10.579 -0.572 1.00 33.41 C ATOM 1087 C GLU A 72 -9.864 -10.409 0.944 1.00 34.25 C ATOM 1088 O GLU A 72 -10.104 -11.356 1.694 1.00 55.13 O ATOM 1089 CB GLU A 72 -8.502 -10.791 -1.118 1.00 5.00 C ATOM 1090 CG GLU A 72 -8.410 -10.675 -2.631 1.00 51.12 C ATOM 1091 CD GLU A 72 -7.528 -11.743 -3.246 1.00 71.12 C ATOM 1092 OE1 GLU A 72 -7.993 -12.895 -3.376 1.00 61.24 O ATOM 1093 OE2 GLU A 72 -6.372 -11.428 -3.598 1.00 20.20 O ATOM 0 H GLU A 72 -9.883 -8.679 -1.459 1.00 21.03 H new ATOM 0 HA GLU A 72 -10.520 -11.455 -0.803 1.00 33.41 H new ATOM 0 HB2 GLU A 72 -7.833 -10.060 -0.665 1.00 5.00 H new ATOM 0 HB3 GLU A 72 -8.149 -11.777 -0.816 1.00 5.00 H new ATOM 0 HG2 GLU A 72 -9.410 -10.745 -3.058 1.00 51.12 H new ATOM 0 HG3 GLU A 72 -8.020 -9.692 -2.893 1.00 51.12 H new ATOM 1100 N MET A 73 -9.551 -9.197 1.388 1.00 75.03 N ATOM 1101 CA MET A 73 -9.471 -8.902 2.814 1.00 0.43 C ATOM 1102 C MET A 73 -10.129 -7.563 3.130 1.00 30.22 C ATOM 1103 O MET A 73 -10.427 -6.779 2.230 1.00 14.21 O ATOM 1104 CB MET A 73 -8.011 -8.887 3.272 1.00 40.44 C ATOM 1105 CG MET A 73 -7.428 -10.273 3.493 1.00 61.13 C ATOM 1106 SD MET A 73 -5.626 -10.271 3.535 1.00 33.12 S ATOM 1107 CE MET A 73 -5.312 -8.783 4.481 1.00 11.51 C ATOM 0 H MET A 73 -9.348 -8.403 0.781 1.00 75.03 H new ATOM 0 HA MET A 73 -10.005 -9.685 3.352 1.00 0.43 H new ATOM 0 HB2 MET A 73 -7.411 -8.364 2.527 1.00 40.44 H new ATOM 0 HB3 MET A 73 -7.936 -8.318 4.199 1.00 40.44 H new ATOM 0 HG2 MET A 73 -7.809 -10.678 4.431 1.00 61.13 H new ATOM 0 HG3 MET A 73 -7.768 -10.937 2.698 1.00 61.13 H new ATOM 0 HE1 MET A 73 -4.237 -8.643 4.593 1.00 11.51 H new ATOM 0 HE2 MET A 73 -5.737 -7.925 3.961 1.00 11.51 H new ATOM 0 HE3 MET A 73 -5.771 -8.874 5.465 1.00 11.51 H new ATOM 1117 N SER A 74 -10.354 -7.308 4.416 1.00 43.21 N ATOM 1118 CA SER A 74 -10.980 -6.065 4.851 1.00 71.44 C ATOM 1119 C SER A 74 -9.955 -4.939 4.930 1.00 52.33 C ATOM 1120 O SER A 74 -8.771 -5.178 5.158 1.00 10.51 O ATOM 1121 CB SER A 74 -11.650 -6.258 6.213 1.00 52.44 C ATOM 1122 OG SER A 74 -12.490 -7.399 6.212 1.00 21.23 O ATOM 0 H SER A 74 -10.112 -7.946 5.174 1.00 43.21 H new ATOM 0 HA SER A 74 -11.737 -5.791 4.117 1.00 71.44 H new ATOM 0 HB2 SER A 74 -10.888 -6.365 6.985 1.00 52.44 H new ATOM 0 HB3 SER A 74 -12.235 -5.373 6.463 1.00 52.44 H new ATOM 0 HG SER A 74 -12.905 -7.501 7.094 1.00 21.23 H new ATOM 1128 N ASN A 75 -10.422 -3.709 4.738 1.00 30.02 N ATOM 1129 CA ASN A 75 -9.547 -2.543 4.787 1.00 43.12 C ATOM 1130 C ASN A 75 -8.704 -2.548 6.058 1.00 35.34 C ATOM 1131 O ASN A 75 -7.511 -2.246 6.025 1.00 75.54 O ATOM 1132 CB ASN A 75 -10.372 -1.257 4.713 1.00 4.13 C ATOM 1133 CG ASN A 75 -10.823 -0.939 3.301 1.00 70.13 C ATOM 1134 OD1 ASN A 75 -12.006 -0.704 3.053 1.00 43.40 O ATOM 1135 ND2 ASN A 75 -9.880 -0.931 2.366 1.00 62.33 N ATOM 0 H ASN A 75 -11.401 -3.494 4.547 1.00 30.02 H new ATOM 0 HA ASN A 75 -8.877 -2.586 3.928 1.00 43.12 H new ATOM 0 HB2 ASN A 75 -11.246 -1.352 5.358 1.00 4.13 H new ATOM 0 HB3 ASN A 75 -9.780 -0.427 5.098 1.00 4.13 H new ATOM 0 HD21 ASN A 75 -10.124 -0.724 1.397 1.00 62.33 H new ATOM 0 HD22 ASN A 75 -8.912 -1.132 2.616 1.00 62.33 H new ATOM 1142 N GLU A 76 -9.333 -2.893 7.177 1.00 41.01 N ATOM 1143 CA GLU A 76 -8.641 -2.937 8.460 1.00 52.00 C ATOM 1144 C GLU A 76 -7.478 -3.924 8.416 1.00 10.43 C ATOM 1145 O GLU A 76 -6.366 -3.606 8.839 1.00 63.44 O ATOM 1146 CB GLU A 76 -9.612 -3.326 9.575 1.00 32.45 C ATOM 1147 CG GLU A 76 -10.370 -4.614 9.301 1.00 13.00 C ATOM 1148 CD GLU A 76 -11.497 -4.850 10.289 1.00 4.14 C ATOM 1149 OE1 GLU A 76 -11.603 -4.077 11.263 1.00 14.30 O ATOM 1150 OE2 GLU A 76 -12.270 -5.810 10.088 1.00 71.03 O ATOM 0 H GLU A 76 -10.320 -3.146 7.221 1.00 41.01 H new ATOM 0 HA GLU A 76 -8.244 -1.943 8.665 1.00 52.00 H new ATOM 0 HB2 GLU A 76 -9.057 -3.432 10.507 1.00 32.45 H new ATOM 0 HB3 GLU A 76 -10.328 -2.517 9.720 1.00 32.45 H new ATOM 0 HG2 GLU A 76 -10.778 -4.583 8.291 1.00 13.00 H new ATOM 0 HG3 GLU A 76 -9.677 -5.454 9.339 1.00 13.00 H new ATOM 1157 N GLU A 77 -7.743 -5.121 7.903 1.00 25.01 N ATOM 1158 CA GLU A 77 -6.718 -6.154 7.806 1.00 71.23 C ATOM 1159 C GLU A 77 -5.558 -5.689 6.930 1.00 20.30 C ATOM 1160 O GLU A 77 -4.392 -5.871 7.280 1.00 3.31 O ATOM 1161 CB GLU A 77 -7.316 -7.444 7.237 1.00 12.34 C ATOM 1162 CG GLU A 77 -8.451 -8.008 8.075 1.00 71.32 C ATOM 1163 CD GLU A 77 -8.475 -9.524 8.077 1.00 32.50 C ATOM 1164 OE1 GLU A 77 -8.180 -10.126 7.024 1.00 52.51 O ATOM 1165 OE2 GLU A 77 -8.790 -10.110 9.134 1.00 24.44 O ATOM 0 H GLU A 77 -8.658 -5.400 7.548 1.00 25.01 H new ATOM 0 HA GLU A 77 -6.338 -6.349 8.809 1.00 71.23 H new ATOM 0 HB2 GLU A 77 -7.681 -7.252 6.228 1.00 12.34 H new ATOM 0 HB3 GLU A 77 -6.529 -8.194 7.154 1.00 12.34 H new ATOM 0 HG2 GLU A 77 -8.355 -7.648 9.099 1.00 71.32 H new ATOM 0 HG3 GLU A 77 -9.401 -7.634 7.693 1.00 71.32 H new ATOM 1172 N ILE A 78 -5.888 -5.090 5.790 1.00 23.24 N ATOM 1173 CA ILE A 78 -4.875 -4.599 4.865 1.00 25.15 C ATOM 1174 C ILE A 78 -4.075 -3.456 5.482 1.00 53.21 C ATOM 1175 O ILE A 78 -2.849 -3.420 5.386 1.00 12.41 O ATOM 1176 CB ILE A 78 -5.503 -4.117 3.545 1.00 60.43 C ATOM 1177 CG1 ILE A 78 -6.388 -5.213 2.946 1.00 21.33 C ATOM 1178 CG2 ILE A 78 -4.419 -3.706 2.560 1.00 21.55 C ATOM 1179 CD1 ILE A 78 -7.253 -4.733 1.803 1.00 71.33 C ATOM 0 H ILE A 78 -6.849 -4.933 5.486 1.00 23.24 H new ATOM 0 HA ILE A 78 -4.208 -5.435 4.656 1.00 25.15 H new ATOM 0 HB ILE A 78 -6.125 -3.246 3.753 1.00 60.43 H new ATOM 0 HG12 ILE A 78 -5.755 -6.028 2.595 1.00 21.33 H new ATOM 0 HG13 ILE A 78 -7.028 -5.621 3.729 1.00 21.33 H new ATOM 0 HG21 ILE A 78 -4.880 -3.368 1.632 1.00 21.55 H new ATOM 0 HG22 ILE A 78 -3.827 -2.897 2.987 1.00 21.55 H new ATOM 0 HG23 ILE A 78 -3.772 -4.559 2.354 1.00 21.55 H new ATOM 0 HD11 ILE A 78 -7.853 -5.562 1.428 1.00 71.33 H new ATOM 0 HD12 ILE A 78 -7.911 -3.938 2.154 1.00 71.33 H new ATOM 0 HD13 ILE A 78 -6.619 -4.352 1.002 1.00 71.33 H new ATOM 1191 N ASN A 79 -4.779 -2.524 6.115 1.00 13.41 N ATOM 1192 CA ASN A 79 -4.135 -1.379 6.750 1.00 41.52 C ATOM 1193 C ASN A 79 -3.139 -1.834 7.811 1.00 23.22 C ATOM 1194 O ASN A 79 -2.033 -1.303 7.907 1.00 42.35 O ATOM 1195 CB ASN A 79 -5.185 -0.461 7.379 1.00 0.44 C ATOM 1196 CG ASN A 79 -4.896 -0.168 8.839 1.00 60.23 C ATOM 1197 OD1 ASN A 79 -5.470 -0.971 9.727 1.00 1.42 O flip ATOM 1198 ND2 ASN A 79 -4.166 0.768 9.163 1.00 1.12 N flip ATOM 0 H ASN A 79 -5.795 -2.538 6.202 1.00 13.41 H new ATOM 0 HA ASN A 79 -3.593 -0.827 5.982 1.00 41.52 H new ATOM 0 HB2 ASN A 79 -5.224 0.476 6.824 1.00 0.44 H new ATOM 0 HB3 ASN A 79 -6.168 -0.924 7.292 1.00 0.44 H new ATOM 0 HD21 ASN A 79 -3.746 1.359 8.446 1.00 1.12 H new ATOM 0 HD22 ASN A 79 -3.981 0.953 10.149 1.00 1.12 H new ATOM 1205 N GLU A 80 -3.539 -2.820 8.607 1.00 72.45 N ATOM 1206 CA GLU A 80 -2.682 -3.347 9.662 1.00 45.00 C ATOM 1207 C GLU A 80 -1.587 -4.238 9.080 1.00 42.51 C ATOM 1208 O GLU A 80 -0.501 -4.353 9.645 1.00 32.21 O ATOM 1209 CB GLU A 80 -3.510 -4.136 10.677 1.00 23.52 C ATOM 1210 CG GLU A 80 -4.066 -5.440 10.127 1.00 1.13 C ATOM 1211 CD GLU A 80 -4.647 -6.328 11.210 1.00 75.21 C ATOM 1212 OE1 GLU A 80 -5.394 -5.810 12.066 1.00 60.21 O ATOM 1213 OE2 GLU A 80 -4.355 -7.543 11.199 1.00 14.21 O ATOM 0 H GLU A 80 -4.452 -3.270 8.541 1.00 72.45 H new ATOM 0 HA GLU A 80 -2.211 -2.503 10.166 1.00 45.00 H new ATOM 0 HB2 GLU A 80 -2.891 -4.353 11.548 1.00 23.52 H new ATOM 0 HB3 GLU A 80 -4.337 -3.514 11.021 1.00 23.52 H new ATOM 0 HG2 GLU A 80 -4.838 -5.219 9.390 1.00 1.13 H new ATOM 0 HG3 GLU A 80 -3.273 -5.978 9.607 1.00 1.13 H new ATOM 1220 N GLU A 81 -1.883 -4.864 7.945 1.00 33.41 N ATOM 1221 CA GLU A 81 -0.926 -5.745 7.287 1.00 25.32 C ATOM 1222 C GLU A 81 0.288 -4.961 6.797 1.00 3.44 C ATOM 1223 O GLU A 81 1.430 -5.308 7.101 1.00 20.03 O ATOM 1224 CB GLU A 81 -1.587 -6.468 6.112 1.00 51.13 C ATOM 1225 CG GLU A 81 -0.659 -7.430 5.389 1.00 74.30 C ATOM 1226 CD GLU A 81 -1.395 -8.618 4.800 1.00 13.12 C ATOM 1227 OE1 GLU A 81 -2.205 -9.234 5.526 1.00 44.42 O ATOM 1228 OE2 GLU A 81 -1.163 -8.932 3.615 1.00 64.44 O ATOM 0 H GLU A 81 -2.778 -4.777 7.463 1.00 33.41 H new ATOM 0 HA GLU A 81 -0.591 -6.483 8.016 1.00 25.32 H new ATOM 0 HB2 GLU A 81 -2.454 -7.018 6.477 1.00 51.13 H new ATOM 0 HB3 GLU A 81 -1.955 -5.728 5.401 1.00 51.13 H new ATOM 0 HG2 GLU A 81 -0.139 -6.898 4.592 1.00 74.30 H new ATOM 0 HG3 GLU A 81 0.102 -7.786 6.084 1.00 74.30 H new ATOM 1235 N LEU A 82 0.033 -3.901 6.038 1.00 2.32 N ATOM 1236 CA LEU A 82 1.104 -3.066 5.505 1.00 14.42 C ATOM 1237 C LEU A 82 1.577 -2.057 6.547 1.00 42.10 C ATOM 1238 O LEU A 82 2.737 -1.647 6.547 1.00 63.32 O ATOM 1239 CB LEU A 82 0.629 -2.334 4.249 1.00 52.33 C ATOM 1240 CG LEU A 82 0.104 -3.216 3.116 1.00 60.34 C ATOM 1241 CD1 LEU A 82 -1.359 -2.909 2.833 1.00 2.34 C ATOM 1242 CD2 LEU A 82 0.942 -3.028 1.860 1.00 21.02 C ATOM 0 H LEU A 82 -0.906 -3.599 5.778 1.00 2.32 H new ATOM 0 HA LEU A 82 1.942 -3.713 5.246 1.00 14.42 H new ATOM 0 HB2 LEU A 82 -0.159 -1.637 4.535 1.00 52.33 H new ATOM 0 HB3 LEU A 82 1.457 -1.738 3.865 1.00 52.33 H new ATOM 0 HG LEU A 82 0.182 -4.257 3.428 1.00 60.34 H new ATOM 0 HD11 LEU A 82 -1.715 -3.547 2.024 1.00 2.34 H new ATOM 0 HD12 LEU A 82 -1.950 -3.097 3.729 1.00 2.34 H new ATOM 0 HD13 LEU A 82 -1.462 -1.863 2.543 1.00 2.34 H new ATOM 0 HD21 LEU A 82 0.553 -3.664 1.065 1.00 21.02 H new ATOM 0 HD22 LEU A 82 0.897 -1.985 1.546 1.00 21.02 H new ATOM 0 HD23 LEU A 82 1.977 -3.300 2.069 1.00 21.02 H new ATOM 1254 N GLY A 83 0.671 -1.662 7.435 1.00 51.44 N ATOM 1255 CA GLY A 83 1.015 -0.705 8.471 1.00 2.32 C ATOM 1256 C GLY A 83 0.822 0.730 8.023 1.00 35.34 C ATOM 1257 O GLY A 83 1.569 1.620 8.431 1.00 12.20 O ATOM 0 H GLY A 83 -0.296 -1.987 7.456 1.00 51.44 H new ATOM 0 HA2 GLY A 83 0.402 -0.893 9.352 1.00 2.32 H new ATOM 0 HA3 GLY A 83 2.053 -0.853 8.768 1.00 2.32 H new ATOM 1261 N ILE A 84 -0.181 0.955 7.181 1.00 14.34 N ATOM 1262 CA ILE A 84 -0.469 2.293 6.678 1.00 73.12 C ATOM 1263 C ILE A 84 -1.695 2.886 7.364 1.00 42.41 C ATOM 1264 O ILE A 84 -2.257 2.288 8.281 1.00 61.15 O ATOM 1265 CB ILE A 84 -0.701 2.283 5.155 1.00 33.22 C ATOM 1266 CG1 ILE A 84 -1.911 1.413 4.807 1.00 13.52 C ATOM 1267 CG2 ILE A 84 0.541 1.784 4.434 1.00 24.20 C ATOM 1268 CD1 ILE A 84 -2.214 1.365 3.327 1.00 71.14 C ATOM 0 H ILE A 84 -0.807 0.229 6.833 1.00 14.34 H new ATOM 0 HA ILE A 84 0.402 2.909 6.901 1.00 73.12 H new ATOM 0 HB ILE A 84 -0.904 3.302 4.826 1.00 33.22 H new ATOM 0 HG12 ILE A 84 -1.735 0.399 5.167 1.00 13.52 H new ATOM 0 HG13 ILE A 84 -2.785 1.792 5.337 1.00 13.52 H new ATOM 0 HG21 ILE A 84 0.362 1.783 3.359 1.00 24.20 H new ATOM 0 HG22 ILE A 84 1.382 2.440 4.661 1.00 24.20 H new ATOM 0 HG23 ILE A 84 0.771 0.771 4.765 1.00 24.20 H new ATOM 0 HD11 ILE A 84 -3.083 0.731 3.154 1.00 71.14 H new ATOM 0 HD12 ILE A 84 -2.422 2.372 2.965 1.00 71.14 H new ATOM 0 HD13 ILE A 84 -1.356 0.958 2.793 1.00 71.14 H new ATOM 1280 N GLY A 85 -2.106 4.066 6.911 1.00 51.21 N ATOM 1281 CA GLY A 85 -3.264 4.721 7.492 1.00 52.24 C ATOM 1282 C GLY A 85 -4.400 4.878 6.498 1.00 23.44 C ATOM 1283 O GLY A 85 -4.650 5.976 6.002 1.00 31.22 O ATOM 0 H GLY A 85 -1.658 4.580 6.152 1.00 51.21 H new ATOM 0 HA2 GLY A 85 -3.612 4.144 8.349 1.00 52.24 H new ATOM 0 HA3 GLY A 85 -2.973 5.703 7.865 1.00 52.24 H new ATOM 1287 N GLN A 86 -5.086 3.778 6.209 1.00 63.12 N ATOM 1288 CA GLN A 86 -6.199 3.798 5.267 1.00 72.13 C ATOM 1289 C GLN A 86 -7.361 4.620 5.815 1.00 2.51 C ATOM 1290 O GLN A 86 -7.421 4.907 7.010 1.00 14.23 O ATOM 1291 CB GLN A 86 -6.665 2.373 4.964 1.00 41.21 C ATOM 1292 CG GLN A 86 -6.142 1.829 3.644 1.00 1.45 C ATOM 1293 CD GLN A 86 -6.180 0.315 3.581 1.00 55.30 C ATOM 1294 OE1 GLN A 86 -5.230 -0.272 2.863 1.00 34.15 O flip ATOM 1295 NE2 GLN A 86 -7.056 -0.320 4.169 1.00 73.41 N flip ATOM 0 H GLN A 86 -4.891 2.862 6.613 1.00 63.12 H new ATOM 0 HA GLN A 86 -5.852 4.263 4.344 1.00 72.13 H new ATOM 0 HB2 GLN A 86 -6.343 1.715 5.771 1.00 41.21 H new ATOM 0 HB3 GLN A 86 -7.755 2.351 4.950 1.00 41.21 H new ATOM 0 HG2 GLN A 86 -6.735 2.238 2.826 1.00 1.45 H new ATOM 0 HG3 GLN A 86 -5.117 2.169 3.496 1.00 1.45 H new ATOM 0 HE21 GLN A 86 -7.767 0.173 4.710 1.00 73.41 H new ATOM 0 HE22 GLN A 86 -7.071 -1.338 4.115 1.00 73.41 H new