USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 559 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 29 THR OG1 : rot -90:sc= 0.486 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0.457 USER MOD Set 2.1: A 28 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.589 K(o=-0.59,f=-2.8!) USER MOD Single : A 30 SER OG : rot 89:sc= 1.22 USER MOD Single : A 31 LYS NZ :NH3+ -155:sc= -0.149 (180deg=-0.584) USER MOD Single : A 33 SER OG : rot -96:sc= 1.25 USER MOD Single : A 38 THR OG1 : rot -170:sc= -2.64! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -110:sc= -2.19 (180deg=-4.24!) USER MOD Single : A 47 THR OG1 : rot 65:sc= 0.905 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -92:sc= -0.127 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.15) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0.184 USER MOD Single : A 90 MET CE :methyl -157:sc= -5.71! (180deg=-6.53!) USER MOD Single : A 96 SER OG : rot 82:sc= 1.19 USER MOD Single : A 99 SER OG : rot 78:sc= 0.943 USER MOD ----------------------------------------------------------------- ATOM 377 N ASN A 27 -2.115 -5.187 11.321 1.00 12.41 N ATOM 378 CA ASN A 27 -2.786 -6.263 10.598 1.00 73.43 C ATOM 379 C ASN A 27 -2.144 -6.468 9.233 1.00 21.12 C ATOM 380 O ASN A 27 -1.352 -5.639 8.788 1.00 32.41 O ATOM 381 CB ASN A 27 -4.297 -5.996 10.457 1.00 5.45 C ATOM 382 CG ASN A 27 -4.670 -4.979 9.380 1.00 14.52 C ATOM 383 OD1 ASN A 27 -5.708 -5.114 8.731 1.00 12.14 O ATOM 384 ND2 ASN A 27 -3.857 -3.953 9.190 1.00 15.21 N ATOM 0 HA ASN A 27 -2.669 -7.178 11.179 1.00 73.43 H new ATOM 0 HB2 ASN A 27 -4.799 -6.938 10.237 1.00 5.45 H new ATOM 0 HB3 ASN A 27 -4.681 -5.647 11.415 1.00 5.45 H new ATOM 0 HD21 ASN A 27 -4.083 -3.246 8.490 1.00 15.21 H new ATOM 0 HD22 ASN A 27 -3.004 -3.869 9.743 1.00 15.21 H new ATOM 391 N CYS A 28 -2.484 -7.565 8.573 1.00 74.44 N ATOM 392 CA CYS A 28 -1.884 -7.897 7.285 1.00 2.30 C ATOM 393 C CYS A 28 -2.829 -7.581 6.127 1.00 52.02 C ATOM 394 O CYS A 28 -2.618 -8.024 4.997 1.00 30.34 O ATOM 395 CB CYS A 28 -1.483 -9.373 7.255 1.00 24.43 C ATOM 396 SG CYS A 28 -0.207 -9.812 8.460 1.00 72.45 S ATOM 0 H CYS A 28 -3.171 -8.241 8.906 1.00 74.44 H new ATOM 0 HA CYS A 28 -0.993 -7.281 7.163 1.00 2.30 H new ATOM 0 HB2 CYS A 28 -2.367 -9.983 7.439 1.00 24.43 H new ATOM 0 HB3 CYS A 28 -1.126 -9.622 6.256 1.00 24.43 H new ATOM 0 HG CYS A 28 0.065 -11.079 8.362 1.00 72.45 H new ATOM 402 N THR A 29 -3.865 -6.806 6.410 1.00 1.43 N ATOM 403 CA THR A 29 -4.793 -6.379 5.382 1.00 71.11 C ATOM 404 C THR A 29 -4.574 -4.905 5.053 1.00 45.43 C ATOM 405 O THR A 29 -4.492 -4.063 5.949 1.00 54.23 O ATOM 406 CB THR A 29 -6.257 -6.592 5.813 1.00 71.51 C ATOM 407 OG1 THR A 29 -6.461 -7.944 6.235 1.00 53.41 O ATOM 408 CG2 THR A 29 -7.212 -6.278 4.675 1.00 4.01 C ATOM 0 H THR A 29 -4.082 -6.461 7.345 1.00 1.43 H new ATOM 0 HA THR A 29 -4.603 -6.988 4.498 1.00 71.11 H new ATOM 0 HB THR A 29 -6.459 -5.914 6.643 1.00 71.51 H new ATOM 0 HG1 THR A 29 -6.731 -8.489 5.467 1.00 53.41 H new ATOM 0 HG21 THR A 29 -8.238 -6.437 5.007 1.00 4.01 H new ATOM 0 HG22 THR A 29 -7.086 -5.239 4.370 1.00 4.01 H new ATOM 0 HG23 THR A 29 -6.999 -6.932 3.830 1.00 4.01 H new ATOM 416 N SER A 30 -4.474 -4.603 3.773 1.00 0.03 N ATOM 417 CA SER A 30 -4.287 -3.238 3.325 1.00 42.25 C ATOM 418 C SER A 30 -5.629 -2.647 2.907 1.00 72.44 C ATOM 419 O SER A 30 -6.273 -3.141 1.984 1.00 15.14 O ATOM 420 CB SER A 30 -3.300 -3.196 2.152 1.00 24.15 C ATOM 421 OG SER A 30 -2.994 -1.864 1.784 1.00 64.35 O ATOM 0 H SER A 30 -4.520 -5.290 3.021 1.00 0.03 H new ATOM 0 HA SER A 30 -3.877 -2.647 4.144 1.00 42.25 H new ATOM 0 HB2 SER A 30 -2.384 -3.719 2.426 1.00 24.15 H new ATOM 0 HB3 SER A 30 -3.725 -3.723 1.298 1.00 24.15 H new ATOM 0 HG SER A 30 -2.231 -1.546 2.310 1.00 64.35 H new ATOM 427 N LYS A 31 -6.065 -1.620 3.619 1.00 72.45 N ATOM 428 CA LYS A 31 -7.313 -0.938 3.292 1.00 61.31 C ATOM 429 C LYS A 31 -7.013 0.333 2.517 1.00 53.22 C ATOM 430 O LYS A 31 -6.409 1.270 3.047 1.00 4.51 O ATOM 431 CB LYS A 31 -8.112 -0.585 4.554 1.00 51.12 C ATOM 432 CG LYS A 31 -8.756 -1.767 5.274 1.00 63.23 C ATOM 433 CD LYS A 31 -7.723 -2.743 5.806 1.00 25.43 C ATOM 434 CE LYS A 31 -8.248 -3.530 6.998 1.00 74.13 C ATOM 435 NZ LYS A 31 -8.532 -2.651 8.165 1.00 62.33 N ATOM 0 H LYS A 31 -5.575 -1.238 4.428 1.00 72.45 H new ATOM 0 HA LYS A 31 -7.914 -1.616 2.686 1.00 61.31 H new ATOM 0 HB2 LYS A 31 -7.449 -0.074 5.252 1.00 51.12 H new ATOM 0 HB3 LYS A 31 -8.895 0.123 4.282 1.00 51.12 H new ATOM 0 HG2 LYS A 31 -9.366 -1.400 6.099 1.00 63.23 H new ATOM 0 HG3 LYS A 31 -9.426 -2.287 4.589 1.00 63.23 H new ATOM 0 HD2 LYS A 31 -7.434 -3.434 5.014 1.00 25.43 H new ATOM 0 HD3 LYS A 31 -6.825 -2.198 6.097 1.00 25.43 H new ATOM 0 HE2 LYS A 31 -9.158 -4.058 6.712 1.00 74.13 H new ATOM 0 HE3 LYS A 31 -7.517 -4.287 7.283 1.00 74.13 H new ATOM 0 HZ1 LYS A 31 -8.472 -3.208 9.041 1.00 62.33 H new ATOM 0 HZ2 LYS A 31 -7.835 -1.880 8.196 1.00 62.33 H new ATOM 0 HZ3 LYS A 31 -9.487 -2.251 8.074 1.00 62.33 H new ATOM 449 N PHE A 32 -7.413 0.353 1.264 1.00 51.43 N ATOM 450 CA PHE A 32 -7.195 1.511 0.419 1.00 33.12 C ATOM 451 C PHE A 32 -8.526 2.041 -0.101 1.00 74.24 C ATOM 452 O PHE A 32 -9.258 1.338 -0.801 1.00 22.45 O ATOM 453 CB PHE A 32 -6.266 1.148 -0.742 1.00 34.52 C ATOM 454 CG PHE A 32 -5.874 2.330 -1.577 1.00 4.04 C ATOM 455 CD1 PHE A 32 -5.031 3.305 -1.067 1.00 71.30 C ATOM 456 CD2 PHE A 32 -6.356 2.473 -2.867 1.00 13.51 C ATOM 457 CE1 PHE A 32 -4.675 4.401 -1.829 1.00 2.05 C ATOM 458 CE2 PHE A 32 -6.005 3.567 -3.631 1.00 12.04 C ATOM 459 CZ PHE A 32 -5.164 4.532 -3.112 1.00 3.21 C ATOM 0 H PHE A 32 -7.893 -0.421 0.805 1.00 51.43 H new ATOM 0 HA PHE A 32 -6.720 2.295 1.008 1.00 33.12 H new ATOM 0 HB2 PHE A 32 -5.366 0.677 -0.345 1.00 34.52 H new ATOM 0 HB3 PHE A 32 -6.759 0.411 -1.376 1.00 34.52 H new ATOM 0 HD1 PHE A 32 -4.648 3.207 -0.062 1.00 71.30 H new ATOM 0 HD2 PHE A 32 -7.013 1.721 -3.279 1.00 13.51 H new ATOM 0 HE1 PHE A 32 -4.016 5.153 -1.421 1.00 2.05 H new ATOM 0 HE2 PHE A 32 -6.388 3.669 -4.636 1.00 12.04 H new ATOM 0 HZ PHE A 32 -4.890 5.388 -3.710 1.00 3.21 H new ATOM 469 N SER A 33 -8.836 3.281 0.254 1.00 10.33 N ATOM 470 CA SER A 33 -10.103 3.894 -0.119 1.00 22.23 C ATOM 471 C SER A 33 -9.863 5.185 -0.897 1.00 13.02 C ATOM 472 O SER A 33 -9.068 6.032 -0.484 1.00 53.54 O ATOM 473 CB SER A 33 -10.922 4.181 1.141 1.00 51.53 C ATOM 474 OG SER A 33 -10.801 3.123 2.079 1.00 13.31 O ATOM 0 H SER A 33 -8.223 3.884 0.803 1.00 10.33 H new ATOM 0 HA SER A 33 -10.656 3.206 -0.759 1.00 22.23 H new ATOM 0 HB2 SER A 33 -10.584 5.113 1.594 1.00 51.53 H new ATOM 0 HB3 SER A 33 -11.970 4.317 0.874 1.00 51.53 H new ATOM 0 HG SER A 33 -11.557 2.507 1.977 1.00 13.31 H new ATOM 480 N ARG A 34 -10.541 5.324 -2.028 1.00 4.13 N ATOM 481 CA ARG A 34 -10.394 6.497 -2.871 1.00 21.55 C ATOM 482 C ARG A 34 -11.739 6.985 -3.393 1.00 44.52 C ATOM 483 O ARG A 34 -12.686 6.212 -3.509 1.00 65.03 O ATOM 484 CB ARG A 34 -9.475 6.186 -4.047 1.00 71.12 C ATOM 485 CG ARG A 34 -8.005 6.289 -3.707 1.00 73.32 C ATOM 486 CD ARG A 34 -7.669 7.675 -3.196 1.00 3.52 C ATOM 487 NE ARG A 34 -6.237 7.852 -3.001 1.00 72.13 N ATOM 488 CZ ARG A 34 -5.516 8.751 -3.664 1.00 13.15 C ATOM 489 NH1 ARG A 34 -6.114 9.561 -4.530 1.00 52.12 N ATOM 490 NH2 ARG A 34 -4.212 8.849 -3.445 1.00 71.34 N ATOM 0 H ARG A 34 -11.202 4.633 -2.382 1.00 4.13 H new ATOM 0 HA ARG A 34 -9.958 7.288 -2.261 1.00 21.55 H new ATOM 0 HB2 ARG A 34 -9.687 5.179 -4.407 1.00 71.12 H new ATOM 0 HB3 ARG A 34 -9.700 6.871 -4.865 1.00 71.12 H new ATOM 0 HG2 ARG A 34 -7.748 5.546 -2.952 1.00 73.32 H new ATOM 0 HG3 ARG A 34 -7.406 6.067 -4.590 1.00 73.32 H new ATOM 0 HD2 ARG A 34 -8.033 8.420 -3.903 1.00 3.52 H new ATOM 0 HD3 ARG A 34 -8.188 7.849 -2.253 1.00 3.52 H new ATOM 0 HE ARG A 34 -5.763 7.256 -2.322 1.00 72.13 H new ATOM 0 HH11 ARG A 34 -7.120 9.491 -4.683 1.00 52.12 H new ATOM 0 HH12 ARG A 34 -5.567 10.253 -5.042 1.00 52.12 H new ATOM 0 HH21 ARG A 34 -3.761 8.234 -2.767 1.00 71.34 H new ATOM 0 HH22 ARG A 34 -3.660 9.539 -3.954 1.00 71.34 H new ATOM 504 N PHE A 35 -11.812 8.271 -3.709 1.00 5.25 N ATOM 505 CA PHE A 35 -13.010 8.849 -4.298 1.00 44.43 C ATOM 506 C PHE A 35 -12.771 9.156 -5.768 1.00 44.21 C ATOM 507 O PHE A 35 -11.723 9.698 -6.136 1.00 52.01 O ATOM 508 CB PHE A 35 -13.418 10.129 -3.561 1.00 72.21 C ATOM 509 CG PHE A 35 -13.719 9.922 -2.102 1.00 11.52 C ATOM 510 CD1 PHE A 35 -14.930 9.380 -1.700 1.00 21.31 C ATOM 511 CD2 PHE A 35 -12.793 10.275 -1.133 1.00 54.24 C ATOM 512 CE1 PHE A 35 -15.209 9.191 -0.360 1.00 43.25 C ATOM 513 CE2 PHE A 35 -13.067 10.089 0.208 1.00 41.54 C ATOM 514 CZ PHE A 35 -14.279 9.546 0.594 1.00 3.10 C ATOM 0 H PHE A 35 -11.051 8.935 -3.566 1.00 5.25 H new ATOM 0 HA PHE A 35 -13.819 8.124 -4.206 1.00 44.43 H new ATOM 0 HB2 PHE A 35 -12.617 10.862 -3.656 1.00 72.21 H new ATOM 0 HB3 PHE A 35 -14.297 10.552 -4.047 1.00 72.21 H new ATOM 0 HD1 PHE A 35 -15.664 9.102 -2.442 1.00 21.31 H new ATOM 0 HD2 PHE A 35 -11.846 10.701 -1.430 1.00 54.24 H new ATOM 0 HE1 PHE A 35 -16.155 8.765 -0.060 1.00 43.25 H new ATOM 0 HE2 PHE A 35 -12.337 10.367 0.953 1.00 41.54 H new ATOM 0 HZ PHE A 35 -14.497 9.400 1.642 1.00 3.10 H new ATOM 524 N PHE A 36 -13.732 8.801 -6.605 1.00 41.22 N ATOM 525 CA PHE A 36 -13.624 9.042 -8.038 1.00 30.14 C ATOM 526 C PHE A 36 -14.904 9.663 -8.571 1.00 4.30 C ATOM 527 O PHE A 36 -15.911 9.710 -7.869 1.00 3.11 O ATOM 528 CB PHE A 36 -13.308 7.741 -8.783 1.00 13.22 C ATOM 529 CG PHE A 36 -11.999 7.130 -8.376 1.00 22.45 C ATOM 530 CD1 PHE A 36 -10.803 7.663 -8.828 1.00 13.43 C ATOM 531 CD2 PHE A 36 -11.964 6.037 -7.531 1.00 50.10 C ATOM 532 CE1 PHE A 36 -9.597 7.114 -8.446 1.00 30.42 C ATOM 533 CE2 PHE A 36 -10.761 5.485 -7.143 1.00 45.24 C ATOM 534 CZ PHE A 36 -9.576 6.025 -7.600 1.00 31.14 C ATOM 0 H PHE A 36 -14.598 8.344 -6.318 1.00 41.22 H new ATOM 0 HA PHE A 36 -12.805 9.741 -8.207 1.00 30.14 H new ATOM 0 HB2 PHE A 36 -14.108 7.023 -8.603 1.00 13.22 H new ATOM 0 HB3 PHE A 36 -13.292 7.938 -9.855 1.00 13.22 H new ATOM 0 HD1 PHE A 36 -10.815 8.518 -9.487 1.00 13.43 H new ATOM 0 HD2 PHE A 36 -12.888 5.611 -7.171 1.00 50.10 H new ATOM 0 HE1 PHE A 36 -8.671 7.536 -8.808 1.00 30.42 H new ATOM 0 HE2 PHE A 36 -10.746 4.631 -6.482 1.00 45.24 H new ATOM 0 HZ PHE A 36 -8.633 5.595 -7.295 1.00 31.14 H new ATOM 544 N ALA A 37 -14.853 10.152 -9.802 1.00 14.14 N ATOM 545 CA ALA A 37 -16.003 10.789 -10.421 1.00 4.44 C ATOM 546 C ALA A 37 -17.109 9.778 -10.689 1.00 51.02 C ATOM 547 O ALA A 37 -18.233 9.928 -10.217 1.00 31.52 O ATOM 548 CB ALA A 37 -15.588 11.479 -11.711 1.00 11.22 C ATOM 0 H ALA A 37 -14.022 10.119 -10.393 1.00 14.14 H new ATOM 0 HA ALA A 37 -16.393 11.537 -9.731 1.00 4.44 H new ATOM 0 HB1 ALA A 37 -16.458 11.953 -12.166 1.00 11.22 H new ATOM 0 HB2 ALA A 37 -14.835 12.236 -11.493 1.00 11.22 H new ATOM 0 HB3 ALA A 37 -15.173 10.743 -12.400 1.00 11.22 H new ATOM 554 N THR A 38 -16.777 8.738 -11.439 1.00 52.33 N ATOM 555 CA THR A 38 -17.745 7.713 -11.792 1.00 34.34 C ATOM 556 C THR A 38 -17.244 6.340 -11.367 1.00 53.33 C ATOM 557 O THR A 38 -16.063 6.173 -11.045 1.00 3.33 O ATOM 558 CB THR A 38 -18.022 7.702 -13.309 1.00 31.41 C ATOM 559 OG1 THR A 38 -16.813 7.405 -14.019 1.00 13.42 O ATOM 560 CG2 THR A 38 -18.579 9.039 -13.780 1.00 25.34 C ATOM 0 H THR A 38 -15.842 8.582 -11.815 1.00 52.33 H new ATOM 0 HA THR A 38 -18.672 7.945 -11.267 1.00 34.34 H new ATOM 0 HB THR A 38 -18.768 6.933 -13.512 1.00 31.41 H new ATOM 0 HG1 THR A 38 -16.952 7.553 -14.978 1.00 13.42 H new ATOM 0 HG21 THR A 38 -18.763 8.998 -14.854 1.00 25.34 H new ATOM 0 HG22 THR A 38 -19.513 9.248 -13.259 1.00 25.34 H new ATOM 0 HG23 THR A 38 -17.859 9.829 -13.565 1.00 25.34 H new ATOM 568 N ARG A 39 -18.136 5.358 -11.374 1.00 23.15 N ATOM 569 CA ARG A 39 -17.769 3.988 -11.045 1.00 23.31 C ATOM 570 C ARG A 39 -16.787 3.449 -12.083 1.00 51.53 C ATOM 571 O ARG A 39 -15.931 2.621 -11.778 1.00 24.43 O ATOM 572 CB ARG A 39 -19.023 3.114 -10.952 1.00 73.31 C ATOM 573 CG ARG A 39 -18.731 1.633 -10.778 1.00 24.24 C ATOM 574 CD ARG A 39 -20.008 0.820 -10.715 1.00 53.34 C ATOM 575 NE ARG A 39 -19.757 -0.547 -10.269 1.00 54.34 N ATOM 576 CZ ARG A 39 -20.152 -1.021 -9.085 1.00 40.40 C ATOM 577 NH1 ARG A 39 -20.842 -0.246 -8.256 1.00 24.43 N ATOM 578 NH2 ARG A 39 -19.868 -2.267 -8.735 1.00 54.22 N ATOM 0 H ARG A 39 -19.121 5.486 -11.605 1.00 23.15 H new ATOM 0 HA ARG A 39 -17.277 3.968 -10.073 1.00 23.31 H new ATOM 0 HB2 ARG A 39 -19.630 3.455 -10.114 1.00 73.31 H new ATOM 0 HB3 ARG A 39 -19.618 3.253 -11.854 1.00 73.31 H new ATOM 0 HG2 ARG A 39 -18.116 1.282 -11.607 1.00 24.24 H new ATOM 0 HG3 ARG A 39 -18.155 1.479 -9.866 1.00 24.24 H new ATOM 0 HD2 ARG A 39 -20.712 1.301 -10.036 1.00 53.34 H new ATOM 0 HD3 ARG A 39 -20.476 0.801 -11.699 1.00 53.34 H new ATOM 0 HE ARG A 39 -19.253 -1.174 -10.896 1.00 54.34 H new ATOM 0 HH11 ARG A 39 -21.070 0.711 -8.524 1.00 24.43 H new ATOM 0 HH12 ARG A 39 -21.144 -0.608 -7.351 1.00 24.43 H new ATOM 0 HH21 ARG A 39 -19.345 -2.869 -9.371 1.00 54.22 H new ATOM 0 HH22 ARG A 39 -20.172 -2.624 -7.829 1.00 54.22 H new ATOM 592 N GLU A 40 -16.909 3.962 -13.300 1.00 70.35 N ATOM 593 CA GLU A 40 -15.986 3.639 -14.383 1.00 12.33 C ATOM 594 C GLU A 40 -14.563 4.014 -14.001 1.00 13.55 C ATOM 595 O GLU A 40 -13.627 3.228 -14.171 1.00 74.42 O ATOM 596 CB GLU A 40 -16.386 4.408 -15.632 1.00 21.33 C ATOM 597 CG GLU A 40 -17.773 4.068 -16.135 1.00 20.52 C ATOM 598 CD GLU A 40 -18.252 5.031 -17.199 1.00 71.42 C ATOM 599 OE1 GLU A 40 -17.703 5.008 -18.320 1.00 52.40 O ATOM 600 OE2 GLU A 40 -19.166 5.833 -16.912 1.00 15.55 O ATOM 0 H GLU A 40 -17.648 4.613 -13.565 1.00 70.35 H new ATOM 0 HA GLU A 40 -16.030 2.566 -14.572 1.00 12.33 H new ATOM 0 HB2 GLU A 40 -16.337 5.476 -15.422 1.00 21.33 H new ATOM 0 HB3 GLU A 40 -15.662 4.204 -16.421 1.00 21.33 H new ATOM 0 HG2 GLU A 40 -17.772 3.056 -16.539 1.00 20.52 H new ATOM 0 HG3 GLU A 40 -18.472 4.077 -15.299 1.00 20.52 H new ATOM 607 N GLU A 41 -14.422 5.226 -13.483 1.00 14.10 N ATOM 608 CA GLU A 41 -13.131 5.739 -13.032 1.00 12.44 C ATOM 609 C GLU A 41 -12.551 4.861 -11.926 1.00 62.54 C ATOM 610 O GLU A 41 -11.333 4.740 -11.784 1.00 73.14 O ATOM 611 CB GLU A 41 -13.284 7.172 -12.514 1.00 51.40 C ATOM 612 CG GLU A 41 -13.850 8.145 -13.533 1.00 32.04 C ATOM 613 CD GLU A 41 -12.985 8.275 -14.770 1.00 5.14 C ATOM 614 OE1 GLU A 41 -11.880 8.850 -14.667 1.00 10.44 O ATOM 615 OE2 GLU A 41 -13.418 7.827 -15.853 1.00 45.55 O ATOM 0 H GLU A 41 -15.195 5.881 -13.363 1.00 14.10 H new ATOM 0 HA GLU A 41 -12.450 5.728 -13.883 1.00 12.44 H new ATOM 0 HB2 GLU A 41 -13.933 7.162 -11.638 1.00 51.40 H new ATOM 0 HB3 GLU A 41 -12.310 7.534 -12.185 1.00 51.40 H new ATOM 0 HG2 GLU A 41 -14.847 7.817 -13.826 1.00 32.04 H new ATOM 0 HG3 GLU A 41 -13.961 9.125 -13.069 1.00 32.04 H new ATOM 622 N ALA A 42 -13.434 4.236 -11.162 1.00 71.54 N ATOM 623 CA ALA A 42 -13.023 3.408 -10.036 1.00 3.21 C ATOM 624 C ALA A 42 -12.429 2.091 -10.522 1.00 34.43 C ATOM 625 O ALA A 42 -11.411 1.628 -10.007 1.00 0.23 O ATOM 626 CB ALA A 42 -14.199 3.156 -9.106 1.00 0.41 C ATOM 0 H ALA A 42 -14.443 4.286 -11.301 1.00 71.54 H new ATOM 0 HA ALA A 42 -12.252 3.942 -9.480 1.00 3.21 H new ATOM 0 HB1 ALA A 42 -13.875 2.536 -8.270 1.00 0.41 H new ATOM 0 HB2 ALA A 42 -14.575 4.107 -8.728 1.00 0.41 H new ATOM 0 HB3 ALA A 42 -14.991 2.644 -9.652 1.00 0.41 H new ATOM 632 N GLU A 43 -13.063 1.501 -11.531 1.00 60.33 N ATOM 633 CA GLU A 43 -12.585 0.249 -12.114 1.00 20.32 C ATOM 634 C GLU A 43 -11.214 0.453 -12.747 1.00 72.41 C ATOM 635 O GLU A 43 -10.360 -0.437 -12.721 1.00 35.40 O ATOM 636 CB GLU A 43 -13.568 -0.257 -13.166 1.00 21.14 C ATOM 637 CG GLU A 43 -14.980 -0.431 -12.640 1.00 14.43 C ATOM 638 CD GLU A 43 -15.936 -0.893 -13.715 1.00 34.12 C ATOM 639 OE1 GLU A 43 -16.382 -0.049 -14.519 1.00 34.11 O ATOM 640 OE2 GLU A 43 -16.240 -2.102 -13.767 1.00 71.24 O ATOM 0 H GLU A 43 -13.910 1.869 -11.963 1.00 60.33 H new ATOM 0 HA GLU A 43 -12.505 -0.493 -11.319 1.00 20.32 H new ATOM 0 HB2 GLU A 43 -13.584 0.441 -14.003 1.00 21.14 H new ATOM 0 HB3 GLU A 43 -13.213 -1.212 -13.554 1.00 21.14 H new ATOM 0 HG2 GLU A 43 -14.976 -1.154 -11.825 1.00 14.43 H new ATOM 0 HG3 GLU A 43 -15.331 0.514 -12.226 1.00 14.43 H new ATOM 647 N SER A 44 -11.014 1.638 -13.305 1.00 4.12 N ATOM 648 CA SER A 44 -9.743 2.000 -13.910 1.00 54.44 C ATOM 649 C SER A 44 -8.621 1.931 -12.878 1.00 11.25 C ATOM 650 O SER A 44 -7.519 1.459 -13.169 1.00 51.50 O ATOM 651 CB SER A 44 -9.830 3.410 -14.507 1.00 74.45 C ATOM 652 OG SER A 44 -8.598 3.806 -15.078 1.00 33.32 O ATOM 0 H SER A 44 -11.723 2.370 -13.351 1.00 4.12 H new ATOM 0 HA SER A 44 -9.521 1.291 -14.708 1.00 54.44 H new ATOM 0 HB2 SER A 44 -10.611 3.437 -15.267 1.00 74.45 H new ATOM 0 HB3 SER A 44 -10.117 4.119 -13.730 1.00 74.45 H new ATOM 0 HG SER A 44 -8.685 4.708 -15.451 1.00 33.32 H new ATOM 658 N PHE A 45 -8.918 2.357 -11.655 1.00 72.53 N ATOM 659 CA PHE A 45 -7.914 2.401 -10.611 1.00 20.04 C ATOM 660 C PHE A 45 -7.716 1.010 -10.013 1.00 33.23 C ATOM 661 O PHE A 45 -6.629 0.669 -9.552 1.00 24.34 O ATOM 662 CB PHE A 45 -8.316 3.403 -9.530 1.00 44.32 C ATOM 663 CG PHE A 45 -7.147 3.998 -8.805 1.00 74.13 C ATOM 664 CD1 PHE A 45 -6.375 4.978 -9.410 1.00 41.21 C ATOM 665 CD2 PHE A 45 -6.821 3.590 -7.523 1.00 33.13 C ATOM 666 CE1 PHE A 45 -5.299 5.540 -8.750 1.00 30.55 C ATOM 667 CE2 PHE A 45 -5.746 4.147 -6.859 1.00 71.25 C ATOM 668 CZ PHE A 45 -4.984 5.122 -7.473 1.00 61.13 C ATOM 0 H PHE A 45 -9.844 2.675 -11.368 1.00 72.53 H new ATOM 0 HA PHE A 45 -6.969 2.728 -11.044 1.00 20.04 H new ATOM 0 HB2 PHE A 45 -8.897 4.204 -9.986 1.00 44.32 H new ATOM 0 HB3 PHE A 45 -8.967 2.907 -8.810 1.00 44.32 H new ATOM 0 HD1 PHE A 45 -6.618 5.306 -10.410 1.00 41.21 H new ATOM 0 HD2 PHE A 45 -7.413 2.829 -7.037 1.00 33.13 H new ATOM 0 HE1 PHE A 45 -4.707 6.304 -9.232 1.00 30.55 H new ATOM 0 HE2 PHE A 45 -5.501 3.820 -5.859 1.00 71.25 H new ATOM 0 HZ PHE A 45 -4.142 5.557 -6.954 1.00 61.13 H new ATOM 678 N MET A 46 -8.772 0.204 -10.044 1.00 30.53 N ATOM 679 CA MET A 46 -8.698 -1.170 -9.567 1.00 4.44 C ATOM 680 C MET A 46 -7.813 -2.002 -10.492 1.00 12.32 C ATOM 681 O MET A 46 -7.139 -2.934 -10.056 1.00 71.25 O ATOM 682 CB MET A 46 -10.103 -1.780 -9.473 1.00 51.40 C ATOM 683 CG MET A 46 -10.115 -3.232 -9.019 1.00 32.02 C ATOM 684 SD MET A 46 -9.305 -3.478 -7.426 1.00 21.52 S ATOM 685 CE MET A 46 -10.295 -2.427 -6.369 1.00 61.44 C ATOM 0 H MET A 46 -9.689 0.480 -10.395 1.00 30.53 H new ATOM 0 HA MET A 46 -8.256 -1.171 -8.571 1.00 4.44 H new ATOM 0 HB2 MET A 46 -10.700 -1.188 -8.780 1.00 51.40 H new ATOM 0 HB3 MET A 46 -10.585 -1.710 -10.448 1.00 51.40 H new ATOM 0 HG2 MET A 46 -11.147 -3.578 -8.953 1.00 32.02 H new ATOM 0 HG3 MET A 46 -9.620 -3.846 -9.771 1.00 32.02 H new ATOM 0 HE1 MET A 46 -9.708 -1.561 -6.064 1.00 61.44 H new ATOM 0 HE2 MET A 46 -11.179 -2.093 -6.913 1.00 61.44 H new ATOM 0 HE3 MET A 46 -10.603 -2.986 -5.485 1.00 61.44 H new ATOM 695 N THR A 47 -7.793 -1.636 -11.768 1.00 52.21 N ATOM 696 CA THR A 47 -6.980 -2.338 -12.751 1.00 3.10 C ATOM 697 C THR A 47 -5.494 -2.220 -12.408 1.00 4.43 C ATOM 698 O THR A 47 -4.771 -3.218 -12.398 1.00 60.54 O ATOM 699 CB THR A 47 -7.234 -1.792 -14.170 1.00 2.52 C ATOM 700 OG1 THR A 47 -8.643 -1.779 -14.440 1.00 32.31 O ATOM 701 CG2 THR A 47 -6.522 -2.638 -15.220 1.00 52.43 C ATOM 0 H THR A 47 -8.331 -0.856 -12.146 1.00 52.21 H new ATOM 0 HA THR A 47 -7.266 -3.390 -12.727 1.00 3.10 H new ATOM 0 HB THR A 47 -6.839 -0.777 -14.219 1.00 2.52 H new ATOM 0 HG1 THR A 47 -9.085 -1.142 -13.841 1.00 32.31 H new ATOM 0 HG21 THR A 47 -6.719 -2.229 -16.211 1.00 52.43 H new ATOM 0 HG22 THR A 47 -5.449 -2.627 -15.030 1.00 52.43 H new ATOM 0 HG23 THR A 47 -6.889 -3.663 -15.171 1.00 52.43 H new ATOM 709 N LYS A 48 -5.049 -1.004 -12.107 1.00 22.03 N ATOM 710 CA LYS A 48 -3.659 -0.784 -11.724 1.00 35.01 C ATOM 711 C LYS A 48 -3.390 -1.303 -10.316 1.00 11.43 C ATOM 712 O LYS A 48 -2.266 -1.676 -9.991 1.00 20.41 O ATOM 713 CB LYS A 48 -3.275 0.690 -11.831 1.00 32.52 C ATOM 714 CG LYS A 48 -4.134 1.613 -11.000 1.00 63.41 C ATOM 715 CD LYS A 48 -3.516 2.988 -10.899 1.00 75.52 C ATOM 716 CE LYS A 48 -2.252 2.964 -10.056 1.00 12.44 C ATOM 717 NZ LYS A 48 -1.575 4.285 -10.034 1.00 21.10 N ATOM 0 H LYS A 48 -5.625 -0.162 -12.121 1.00 22.03 H new ATOM 0 HA LYS A 48 -3.038 -1.345 -12.423 1.00 35.01 H new ATOM 0 HB2 LYS A 48 -2.235 0.806 -11.526 1.00 32.52 H new ATOM 0 HB3 LYS A 48 -3.337 0.996 -12.875 1.00 32.52 H new ATOM 0 HG2 LYS A 48 -5.127 1.689 -11.444 1.00 63.41 H new ATOM 0 HG3 LYS A 48 -4.263 1.195 -10.002 1.00 63.41 H new ATOM 0 HD2 LYS A 48 -3.283 3.359 -11.897 1.00 75.52 H new ATOM 0 HD3 LYS A 48 -4.235 3.681 -10.461 1.00 75.52 H new ATOM 0 HE2 LYS A 48 -2.501 2.667 -9.037 1.00 12.44 H new ATOM 0 HE3 LYS A 48 -1.568 2.212 -10.449 1.00 12.44 H new ATOM 0 HZ1 LYS A 48 -0.718 4.226 -9.448 1.00 21.10 H new ATOM 0 HZ2 LYS A 48 -1.314 4.558 -11.003 1.00 21.10 H new ATOM 0 HZ3 LYS A 48 -2.218 4.998 -9.635 1.00 21.10 H new ATOM 731 N LEU A 49 -4.421 -1.312 -9.475 1.00 43.52 N ATOM 732 CA LEU A 49 -4.300 -1.859 -8.127 1.00 40.54 C ATOM 733 C LEU A 49 -3.932 -3.335 -8.190 1.00 64.43 C ATOM 734 O LEU A 49 -3.125 -3.817 -7.395 1.00 2.14 O ATOM 735 CB LEU A 49 -5.602 -1.675 -7.344 1.00 33.10 C ATOM 736 CG LEU A 49 -5.531 -0.678 -6.184 1.00 70.14 C ATOM 737 CD1 LEU A 49 -4.574 -1.175 -5.110 1.00 44.43 C ATOM 738 CD2 LEU A 49 -5.097 0.690 -6.684 1.00 63.43 C ATOM 0 H LEU A 49 -5.346 -0.948 -9.702 1.00 43.52 H new ATOM 0 HA LEU A 49 -3.509 -1.317 -7.609 1.00 40.54 H new ATOM 0 HB2 LEU A 49 -6.380 -1.349 -8.035 1.00 33.10 H new ATOM 0 HB3 LEU A 49 -5.911 -2.644 -6.951 1.00 33.10 H new ATOM 0 HG LEU A 49 -6.526 -0.589 -5.747 1.00 70.14 H new ATOM 0 HD11 LEU A 49 -4.537 -0.453 -4.294 1.00 44.43 H new ATOM 0 HD12 LEU A 49 -4.921 -2.136 -4.730 1.00 44.43 H new ATOM 0 HD13 LEU A 49 -3.578 -1.292 -5.536 1.00 44.43 H new ATOM 0 HD21 LEU A 49 -5.052 1.386 -5.846 1.00 63.43 H new ATOM 0 HD22 LEU A 49 -4.112 0.613 -7.145 1.00 63.43 H new ATOM 0 HD23 LEU A 49 -5.815 1.053 -7.419 1.00 63.43 H new ATOM 750 N LYS A 50 -4.522 -4.043 -9.149 1.00 42.23 N ATOM 751 CA LYS A 50 -4.180 -5.434 -9.399 1.00 70.00 C ATOM 752 C LYS A 50 -2.706 -5.577 -9.767 1.00 5.21 C ATOM 753 O LYS A 50 -2.030 -6.498 -9.310 1.00 63.44 O ATOM 754 CB LYS A 50 -5.070 -5.971 -10.514 1.00 55.12 C ATOM 755 CG LYS A 50 -6.510 -6.165 -10.081 1.00 51.33 C ATOM 756 CD LYS A 50 -7.466 -5.967 -11.238 1.00 43.14 C ATOM 757 CE LYS A 50 -8.802 -6.649 -10.980 1.00 54.44 C ATOM 758 NZ LYS A 50 -9.766 -6.428 -12.087 1.00 21.13 N ATOM 0 H LYS A 50 -5.243 -3.671 -9.767 1.00 42.23 H new ATOM 0 HA LYS A 50 -4.347 -6.013 -8.491 1.00 70.00 H new ATOM 0 HB2 LYS A 50 -5.040 -5.283 -11.359 1.00 55.12 H new ATOM 0 HB3 LYS A 50 -4.670 -6.923 -10.864 1.00 55.12 H new ATOM 0 HG2 LYS A 50 -6.636 -7.167 -9.670 1.00 51.33 H new ATOM 0 HG3 LYS A 50 -6.750 -5.461 -9.284 1.00 51.33 H new ATOM 0 HD2 LYS A 50 -7.626 -4.901 -11.401 1.00 43.14 H new ATOM 0 HD3 LYS A 50 -7.023 -6.366 -12.150 1.00 43.14 H new ATOM 0 HE2 LYS A 50 -8.642 -7.719 -10.847 1.00 54.44 H new ATOM 0 HE3 LYS A 50 -9.227 -6.272 -10.050 1.00 54.44 H new ATOM 0 HZ1 LYS A 50 -10.661 -6.910 -11.869 1.00 21.13 H new ATOM 0 HZ2 LYS A 50 -9.940 -5.409 -12.198 1.00 21.13 H new ATOM 0 HZ3 LYS A 50 -9.373 -6.810 -12.971 1.00 21.13 H new ATOM 772 N GLU A 51 -2.209 -4.651 -10.582 1.00 22.11 N ATOM 773 CA GLU A 51 -0.803 -4.645 -10.965 1.00 32.25 C ATOM 774 C GLU A 51 0.078 -4.392 -9.747 1.00 33.45 C ATOM 775 O GLU A 51 1.092 -5.065 -9.549 1.00 13.44 O ATOM 776 CB GLU A 51 -0.537 -3.576 -12.026 1.00 1.44 C ATOM 777 CG GLU A 51 -1.365 -3.752 -13.284 1.00 3.11 C ATOM 778 CD GLU A 51 -0.942 -2.815 -14.395 1.00 73.22 C ATOM 779 OE1 GLU A 51 0.054 -3.123 -15.083 1.00 22.41 O ATOM 780 OE2 GLU A 51 -1.601 -1.773 -14.588 1.00 4.22 O ATOM 0 H GLU A 51 -2.760 -3.896 -10.989 1.00 22.11 H new ATOM 0 HA GLU A 51 -0.561 -5.622 -11.383 1.00 32.25 H new ATOM 0 HB2 GLU A 51 -0.742 -2.594 -11.600 1.00 1.44 H new ATOM 0 HB3 GLU A 51 0.520 -3.594 -12.291 1.00 1.44 H new ATOM 0 HG2 GLU A 51 -1.279 -4.782 -13.630 1.00 3.11 H new ATOM 0 HG3 GLU A 51 -2.416 -3.581 -13.050 1.00 3.11 H new ATOM 787 N LEU A 52 -0.322 -3.423 -8.932 1.00 25.43 N ATOM 788 CA LEU A 52 0.408 -3.088 -7.716 1.00 11.43 C ATOM 789 C LEU A 52 0.441 -4.277 -6.763 1.00 21.00 C ATOM 790 O LEU A 52 1.477 -4.580 -6.171 1.00 14.31 O ATOM 791 CB LEU A 52 -0.230 -1.878 -7.026 1.00 0.13 C ATOM 792 CG LEU A 52 -0.223 -0.584 -7.846 1.00 54.54 C ATOM 793 CD1 LEU A 52 -0.922 0.534 -7.088 1.00 20.44 C ATOM 794 CD2 LEU A 52 1.203 -0.183 -8.189 1.00 73.03 C ATOM 0 H LEU A 52 -1.152 -2.853 -9.093 1.00 25.43 H new ATOM 0 HA LEU A 52 1.432 -2.836 -7.992 1.00 11.43 H new ATOM 0 HB2 LEU A 52 -1.261 -2.125 -6.774 1.00 0.13 H new ATOM 0 HB3 LEU A 52 0.293 -1.697 -6.087 1.00 0.13 H new ATOM 0 HG LEU A 52 -0.767 -0.761 -8.774 1.00 54.54 H new ATOM 0 HD11 LEU A 52 -0.907 1.445 -7.687 1.00 20.44 H new ATOM 0 HD12 LEU A 52 -1.955 0.248 -6.889 1.00 20.44 H new ATOM 0 HD13 LEU A 52 -0.406 0.712 -6.144 1.00 20.44 H new ATOM 0 HD21 LEU A 52 1.192 0.738 -8.772 1.00 73.03 H new ATOM 0 HD22 LEU A 52 1.767 -0.024 -7.270 1.00 73.03 H new ATOM 0 HD23 LEU A 52 1.674 -0.975 -8.771 1.00 73.03 H new ATOM 806 N ALA A 53 -0.694 -4.955 -6.632 1.00 3.22 N ATOM 807 CA ALA A 53 -0.794 -6.124 -5.774 1.00 55.52 C ATOM 808 C ALA A 53 0.096 -7.255 -6.283 1.00 2.00 C ATOM 809 O ALA A 53 0.757 -7.934 -5.500 1.00 50.44 O ATOM 810 CB ALA A 53 -2.240 -6.590 -5.679 1.00 0.12 C ATOM 0 H ALA A 53 -1.560 -4.711 -7.113 1.00 3.22 H new ATOM 0 HA ALA A 53 -0.449 -5.843 -4.779 1.00 55.52 H new ATOM 0 HB1 ALA A 53 -2.298 -7.466 -5.033 1.00 0.12 H new ATOM 0 HB2 ALA A 53 -2.853 -5.791 -5.263 1.00 0.12 H new ATOM 0 HB3 ALA A 53 -2.605 -6.847 -6.673 1.00 0.12 H new ATOM 816 N ALA A 54 0.111 -7.444 -7.600 1.00 61.41 N ATOM 817 CA ALA A 54 0.938 -8.472 -8.227 1.00 42.42 C ATOM 818 C ALA A 54 2.422 -8.203 -7.992 1.00 72.50 C ATOM 819 O ALA A 54 3.186 -9.114 -7.680 1.00 35.12 O ATOM 820 CB ALA A 54 0.644 -8.552 -9.720 1.00 55.35 C ATOM 0 H ALA A 54 -0.444 -6.895 -8.257 1.00 61.41 H new ATOM 0 HA ALA A 54 0.691 -9.429 -7.768 1.00 42.42 H new ATOM 0 HB1 ALA A 54 1.268 -9.322 -10.173 1.00 55.35 H new ATOM 0 HB2 ALA A 54 -0.406 -8.801 -9.871 1.00 55.35 H new ATOM 0 HB3 ALA A 54 0.860 -7.590 -10.185 1.00 55.35 H new ATOM 826 N ALA A 55 2.818 -6.945 -8.144 1.00 65.32 N ATOM 827 CA ALA A 55 4.208 -6.545 -7.953 1.00 70.32 C ATOM 828 C ALA A 55 4.611 -6.641 -6.488 1.00 4.05 C ATOM 829 O ALA A 55 5.742 -7.010 -6.166 1.00 31.42 O ATOM 830 CB ALA A 55 4.428 -5.130 -8.471 1.00 4.23 C ATOM 0 H ALA A 55 2.193 -6.181 -8.400 1.00 65.32 H new ATOM 0 HA ALA A 55 4.837 -7.230 -8.521 1.00 70.32 H new ATOM 0 HB1 ALA A 55 5.470 -4.846 -8.322 1.00 4.23 H new ATOM 0 HB2 ALA A 55 4.190 -5.091 -9.534 1.00 4.23 H new ATOM 0 HB3 ALA A 55 3.782 -4.439 -7.929 1.00 4.23 H new ATOM 836 N ALA A 56 3.679 -6.309 -5.606 1.00 51.11 N ATOM 837 CA ALA A 56 3.934 -6.323 -4.176 1.00 12.05 C ATOM 838 C ALA A 56 4.037 -7.746 -3.642 1.00 2.31 C ATOM 839 O ALA A 56 5.010 -8.101 -2.970 1.00 21.52 O ATOM 840 CB ALA A 56 2.836 -5.572 -3.440 1.00 53.20 C ATOM 0 H ALA A 56 2.733 -6.025 -5.860 1.00 51.11 H new ATOM 0 HA ALA A 56 4.889 -5.828 -4.004 1.00 12.05 H new ATOM 0 HB1 ALA A 56 3.038 -5.589 -2.369 1.00 53.20 H new ATOM 0 HB2 ALA A 56 2.806 -4.539 -3.787 1.00 53.20 H new ATOM 0 HB3 ALA A 56 1.875 -6.048 -3.636 1.00 53.20 H new ATOM 846 N SER A 57 3.033 -8.556 -3.949 1.00 44.22 N ATOM 847 CA SER A 57 2.958 -9.907 -3.426 1.00 1.30 C ATOM 848 C SER A 57 4.119 -10.760 -3.925 1.00 5.41 C ATOM 849 O SER A 57 4.447 -10.777 -5.115 1.00 44.52 O ATOM 850 CB SER A 57 1.612 -10.547 -3.791 1.00 45.41 C ATOM 851 OG SER A 57 1.389 -10.520 -5.191 1.00 72.15 O ATOM 0 H SER A 57 2.258 -8.297 -4.560 1.00 44.22 H new ATOM 0 HA SER A 57 3.033 -9.854 -2.340 1.00 1.30 H new ATOM 0 HB2 SER A 57 1.590 -11.578 -3.437 1.00 45.41 H new ATOM 0 HB3 SER A 57 0.806 -10.018 -3.282 1.00 45.41 H new ATOM 0 HG SER A 57 0.889 -9.711 -5.427 1.00 72.15 H new ATOM 857 N SER A 58 4.752 -11.443 -2.995 1.00 53.45 N ATOM 858 CA SER A 58 5.841 -12.347 -3.306 1.00 14.40 C ATOM 859 C SER A 58 5.491 -13.744 -2.807 1.00 12.42 C ATOM 860 O SER A 58 6.171 -14.724 -3.111 1.00 50.35 O ATOM 861 CB SER A 58 7.128 -11.851 -2.647 1.00 51.13 C ATOM 862 OG SER A 58 7.327 -10.468 -2.907 1.00 12.04 O ATOM 0 H SER A 58 4.527 -11.388 -2.002 1.00 53.45 H new ATOM 0 HA SER A 58 5.995 -12.382 -4.384 1.00 14.40 H new ATOM 0 HB2 SER A 58 7.080 -12.020 -1.571 1.00 51.13 H new ATOM 0 HB3 SER A 58 7.977 -12.422 -3.022 1.00 51.13 H new ATOM 0 HG SER A 58 8.155 -10.170 -2.475 1.00 12.04 H new ATOM 868 N ALA A 59 4.409 -13.809 -2.040 1.00 23.04 N ATOM 869 CA ALA A 59 3.960 -15.047 -1.430 1.00 72.33 C ATOM 870 C ALA A 59 3.528 -16.078 -2.465 1.00 52.15 C ATOM 871 O ALA A 59 4.092 -17.171 -2.523 1.00 62.13 O ATOM 872 CB ALA A 59 2.820 -14.771 -0.469 1.00 61.11 C ATOM 0 H ALA A 59 3.821 -13.003 -1.826 1.00 23.04 H new ATOM 0 HA ALA A 59 4.807 -15.465 -0.886 1.00 72.33 H new ATOM 0 HB1 ALA A 59 2.491 -15.707 -0.017 1.00 61.11 H new ATOM 0 HB2 ALA A 59 3.159 -14.090 0.312 1.00 61.11 H new ATOM 0 HB3 ALA A 59 1.990 -14.318 -1.010 1.00 61.11 H new ATOM 878 N ASP A 60 2.529 -15.741 -3.274 1.00 74.12 N ATOM 879 CA ASP A 60 1.990 -16.706 -4.226 1.00 11.12 C ATOM 880 C ASP A 60 1.727 -16.081 -5.592 1.00 72.43 C ATOM 881 O ASP A 60 2.594 -16.103 -6.461 1.00 52.35 O ATOM 882 CB ASP A 60 0.713 -17.336 -3.663 1.00 23.03 C ATOM 883 CG ASP A 60 0.198 -18.483 -4.506 1.00 60.11 C ATOM 884 OD1 ASP A 60 0.770 -19.588 -4.419 1.00 1.23 O ATOM 885 OD2 ASP A 60 -0.789 -18.292 -5.240 1.00 44.12 O ATOM 0 H ASP A 60 2.083 -14.824 -3.291 1.00 74.12 H new ATOM 0 HA ASP A 60 2.740 -17.483 -4.373 1.00 11.12 H new ATOM 0 HB2 ASP A 60 0.906 -17.694 -2.652 1.00 23.03 H new ATOM 0 HB3 ASP A 60 -0.060 -16.571 -3.588 1.00 23.03 H new ATOM 890 N GLU A 61 0.549 -15.514 -5.772 1.00 33.33 N ATOM 891 CA GLU A 61 0.202 -14.846 -7.016 1.00 31.02 C ATOM 892 C GLU A 61 -0.307 -13.451 -6.712 1.00 71.54 C ATOM 893 O GLU A 61 -0.250 -12.549 -7.546 1.00 74.42 O ATOM 894 CB GLU A 61 -0.877 -15.636 -7.764 1.00 62.53 C ATOM 895 CG GLU A 61 -1.195 -15.079 -9.141 1.00 21.21 C ATOM 896 CD GLU A 61 -2.435 -15.696 -9.753 1.00 54.22 C ATOM 897 OE1 GLU A 61 -2.368 -16.855 -10.210 1.00 14.34 O ATOM 898 OE2 GLU A 61 -3.487 -15.027 -9.775 1.00 22.20 O ATOM 0 H GLU A 61 -0.189 -15.502 -5.068 1.00 33.33 H new ATOM 0 HA GLU A 61 1.090 -14.785 -7.645 1.00 31.02 H new ATOM 0 HB2 GLU A 61 -0.552 -16.671 -7.866 1.00 62.53 H new ATOM 0 HB3 GLU A 61 -1.788 -15.646 -7.166 1.00 62.53 H new ATOM 0 HG2 GLU A 61 -1.330 -14.000 -9.069 1.00 21.21 H new ATOM 0 HG3 GLU A 61 -0.346 -15.251 -9.802 1.00 21.21 H new ATOM 905 N GLY A 62 -0.785 -13.281 -5.494 1.00 62.34 N ATOM 906 CA GLY A 62 -1.388 -12.026 -5.111 1.00 22.43 C ATOM 907 C GLY A 62 -1.890 -12.047 -3.689 1.00 62.45 C ATOM 908 O GLY A 62 -1.245 -12.608 -2.805 1.00 2.35 O ATOM 0 H GLY A 62 -0.767 -13.991 -4.762 1.00 62.34 H new ATOM 0 HA2 GLY A 62 -0.658 -11.224 -5.225 1.00 22.43 H new ATOM 0 HA3 GLY A 62 -2.216 -11.802 -5.784 1.00 22.43 H new ATOM 912 N ALA A 63 -3.048 -11.450 -3.474 1.00 13.40 N ATOM 913 CA ALA A 63 -3.615 -11.339 -2.143 1.00 75.15 C ATOM 914 C ALA A 63 -5.129 -11.442 -2.203 1.00 41.11 C ATOM 915 O ALA A 63 -5.729 -11.246 -3.263 1.00 65.44 O ATOM 916 CB ALA A 63 -3.200 -10.021 -1.503 1.00 21.23 C ATOM 0 H ALA A 63 -3.617 -11.032 -4.210 1.00 13.40 H new ATOM 0 HA ALA A 63 -3.236 -12.159 -1.533 1.00 75.15 H new ATOM 0 HB1 ALA A 63 -3.632 -9.949 -0.505 1.00 21.23 H new ATOM 0 HB2 ALA A 63 -2.113 -9.977 -1.432 1.00 21.23 H new ATOM 0 HB3 ALA A 63 -3.558 -9.192 -2.113 1.00 21.23 H new ATOM 922 N SER A 64 -5.740 -11.755 -1.071 1.00 32.32 N ATOM 923 CA SER A 64 -7.188 -11.808 -0.971 1.00 21.43 C ATOM 924 C SER A 64 -7.769 -10.402 -1.062 1.00 20.31 C ATOM 925 O SER A 64 -7.611 -9.593 -0.146 1.00 61.50 O ATOM 926 CB SER A 64 -7.595 -12.466 0.347 1.00 10.53 C ATOM 927 OG SER A 64 -7.075 -13.785 0.433 1.00 23.31 O ATOM 0 H SER A 64 -5.251 -11.977 -0.204 1.00 32.32 H new ATOM 0 HA SER A 64 -7.581 -12.402 -1.796 1.00 21.43 H new ATOM 0 HB2 SER A 64 -7.230 -11.871 1.184 1.00 10.53 H new ATOM 0 HB3 SER A 64 -8.682 -12.493 0.425 1.00 10.53 H new ATOM 0 HG SER A 64 -7.345 -14.188 1.284 1.00 23.31 H new ATOM 933 N VAL A 65 -8.417 -10.107 -2.175 1.00 23.45 N ATOM 934 CA VAL A 65 -8.957 -8.780 -2.398 1.00 52.35 C ATOM 935 C VAL A 65 -10.459 -8.739 -2.124 1.00 2.24 C ATOM 936 O VAL A 65 -11.254 -9.404 -2.790 1.00 61.55 O ATOM 937 CB VAL A 65 -8.657 -8.279 -3.834 1.00 71.42 C ATOM 938 CG1 VAL A 65 -9.108 -9.287 -4.884 1.00 3.32 C ATOM 939 CG2 VAL A 65 -9.304 -6.922 -4.079 1.00 73.10 C ATOM 0 H VAL A 65 -8.581 -10.767 -2.935 1.00 23.45 H new ATOM 0 HA VAL A 65 -8.462 -8.110 -1.695 1.00 52.35 H new ATOM 0 HB VAL A 65 -7.576 -8.168 -3.924 1.00 71.42 H new ATOM 0 HG11 VAL A 65 -8.882 -8.902 -5.878 1.00 3.32 H new ATOM 0 HG12 VAL A 65 -8.583 -10.230 -4.732 1.00 3.32 H new ATOM 0 HG13 VAL A 65 -10.182 -9.451 -4.794 1.00 3.32 H new ATOM 0 HG21 VAL A 65 -9.080 -6.590 -5.093 1.00 73.10 H new ATOM 0 HG22 VAL A 65 -10.384 -7.006 -3.955 1.00 73.10 H new ATOM 0 HG23 VAL A 65 -8.912 -6.198 -3.365 1.00 73.10 H new ATOM 949 N ALA A 66 -10.832 -7.967 -1.122 1.00 33.25 N ATOM 950 CA ALA A 66 -12.231 -7.718 -0.827 1.00 52.43 C ATOM 951 C ALA A 66 -12.509 -6.232 -0.952 1.00 21.33 C ATOM 952 O ALA A 66 -12.092 -5.441 -0.109 1.00 3.41 O ATOM 953 CB ALA A 66 -12.589 -8.219 0.562 1.00 15.30 C ATOM 0 H ALA A 66 -10.180 -7.498 -0.493 1.00 33.25 H new ATOM 0 HA ALA A 66 -12.850 -8.261 -1.541 1.00 52.43 H new ATOM 0 HB1 ALA A 66 -13.642 -8.021 0.760 1.00 15.30 H new ATOM 0 HB2 ALA A 66 -12.404 -9.292 0.621 1.00 15.30 H new ATOM 0 HB3 ALA A 66 -11.978 -7.704 1.303 1.00 15.30 H new ATOM 959 N TYR A 67 -13.183 -5.851 -2.019 1.00 70.23 N ATOM 960 CA TYR A 67 -13.399 -4.444 -2.299 1.00 71.35 C ATOM 961 C TYR A 67 -14.854 -4.172 -2.638 1.00 12.22 C ATOM 962 O TYR A 67 -15.590 -5.086 -3.014 1.00 32.32 O ATOM 963 CB TYR A 67 -12.505 -3.992 -3.462 1.00 62.40 C ATOM 964 CG TYR A 67 -12.881 -4.576 -4.810 1.00 61.25 C ATOM 965 CD1 TYR A 67 -12.426 -5.828 -5.200 1.00 31.14 C ATOM 966 CD2 TYR A 67 -13.689 -3.868 -5.695 1.00 43.33 C ATOM 967 CE1 TYR A 67 -12.763 -6.359 -6.431 1.00 24.50 C ATOM 968 CE2 TYR A 67 -14.031 -4.393 -6.929 1.00 21.14 C ATOM 969 CZ TYR A 67 -13.565 -5.639 -7.291 1.00 64.23 C ATOM 970 OH TYR A 67 -13.899 -6.170 -8.517 1.00 4.01 O ATOM 0 H TYR A 67 -13.588 -6.490 -2.703 1.00 70.23 H new ATOM 0 HA TYR A 67 -13.141 -3.880 -1.403 1.00 71.35 H new ATOM 0 HB2 TYR A 67 -12.540 -2.905 -3.529 1.00 62.40 H new ATOM 0 HB3 TYR A 67 -11.474 -4.264 -3.238 1.00 62.40 H new ATOM 0 HD1 TYR A 67 -11.798 -6.397 -4.530 1.00 31.14 H new ATOM 0 HD2 TYR A 67 -14.056 -2.892 -5.414 1.00 43.33 H new ATOM 0 HE1 TYR A 67 -12.399 -7.335 -6.718 1.00 24.50 H new ATOM 0 HE2 TYR A 67 -14.659 -3.830 -7.604 1.00 21.14 H new ATOM 0 HH TYR A 67 -14.470 -5.539 -9.002 1.00 4.01 H new ATOM 980 N LYS A 68 -15.265 -2.924 -2.497 1.00 63.22 N ATOM 981 CA LYS A 68 -16.560 -2.505 -2.980 1.00 3.12 C ATOM 982 C LYS A 68 -16.431 -1.184 -3.718 1.00 31.42 C ATOM 983 O LYS A 68 -15.561 -0.364 -3.412 1.00 32.24 O ATOM 984 CB LYS A 68 -17.588 -2.374 -1.846 1.00 73.14 C ATOM 985 CG LYS A 68 -17.603 -1.016 -1.147 1.00 14.04 C ATOM 986 CD LYS A 68 -16.517 -0.874 -0.094 1.00 40.35 C ATOM 987 CE LYS A 68 -16.791 -1.751 1.115 1.00 14.53 C ATOM 988 NZ LYS A 68 -15.970 -1.352 2.290 1.00 54.22 N ATOM 0 H LYS A 68 -14.718 -2.187 -2.052 1.00 63.22 H new ATOM 0 HA LYS A 68 -16.922 -3.276 -3.660 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -18.581 -2.569 -2.251 1.00 73.14 H new ATOM 0 HB3 LYS A 68 -17.389 -3.147 -1.103 1.00 73.14 H new ATOM 0 HG2 LYS A 68 -17.483 -0.230 -1.892 1.00 14.04 H new ATOM 0 HG3 LYS A 68 -18.576 -0.866 -0.679 1.00 14.04 H new ATOM 0 HD2 LYS A 68 -15.553 -1.141 -0.527 1.00 40.35 H new ATOM 0 HD3 LYS A 68 -16.448 0.168 0.220 1.00 40.35 H new ATOM 0 HE2 LYS A 68 -17.848 -1.691 1.374 1.00 14.53 H new ATOM 0 HE3 LYS A 68 -16.583 -2.791 0.863 1.00 14.53 H new ATOM 0 HZ1 LYS A 68 -16.212 -1.954 3.103 1.00 54.22 H new ATOM 0 HZ2 LYS A 68 -14.961 -1.465 2.063 1.00 54.22 H new ATOM 0 HZ3 LYS A 68 -16.162 -0.358 2.526 1.00 54.22 H new ATOM 1002 N ILE A 69 -17.279 -1.004 -4.702 1.00 21.13 N ATOM 1003 CA ILE A 69 -17.375 0.257 -5.407 1.00 4.15 C ATOM 1004 C ILE A 69 -18.715 0.878 -5.082 1.00 22.34 C ATOM 1005 O ILE A 69 -19.753 0.422 -5.564 1.00 62.41 O ATOM 1006 CB ILE A 69 -17.254 0.083 -6.936 1.00 60.02 C ATOM 1007 CG1 ILE A 69 -16.009 -0.738 -7.290 1.00 41.42 C ATOM 1008 CG2 ILE A 69 -17.209 1.446 -7.615 1.00 64.24 C ATOM 1009 CD1 ILE A 69 -15.873 -1.034 -8.769 1.00 40.30 C ATOM 0 H ILE A 69 -17.921 -1.723 -5.037 1.00 21.13 H new ATOM 0 HA ILE A 69 -16.551 0.894 -5.086 1.00 4.15 H new ATOM 0 HB ILE A 69 -18.129 -0.458 -7.296 1.00 60.02 H new ATOM 0 HG12 ILE A 69 -15.123 -0.200 -6.953 1.00 41.42 H new ATOM 0 HG13 ILE A 69 -16.038 -1.680 -6.742 1.00 41.42 H new ATOM 0 HG21 ILE A 69 -17.124 1.313 -8.693 1.00 64.24 H new ATOM 0 HG22 ILE A 69 -18.123 1.996 -7.389 1.00 64.24 H new ATOM 0 HG23 ILE A 69 -16.348 2.006 -7.249 1.00 64.24 H new ATOM 0 HD11 ILE A 69 -14.969 -1.618 -8.942 1.00 40.30 H new ATOM 0 HD12 ILE A 69 -16.741 -1.600 -9.108 1.00 40.30 H new ATOM 0 HD13 ILE A 69 -15.811 -0.098 -9.323 1.00 40.30 H new ATOM 1021 N LYS A 70 -18.702 1.890 -4.236 1.00 25.23 N ATOM 1022 CA LYS A 70 -19.937 2.490 -3.784 1.00 12.10 C ATOM 1023 C LYS A 70 -20.321 3.660 -4.667 1.00 54.45 C ATOM 1024 O LYS A 70 -19.575 4.629 -4.803 1.00 73.32 O ATOM 1025 CB LYS A 70 -19.834 2.931 -2.324 1.00 24.23 C ATOM 1026 CG LYS A 70 -21.115 3.548 -1.779 1.00 2.23 C ATOM 1027 CD LYS A 70 -22.318 2.635 -1.977 1.00 44.21 C ATOM 1028 CE LYS A 70 -22.210 1.365 -1.150 1.00 22.33 C ATOM 1029 NZ LYS A 70 -23.351 0.448 -1.400 1.00 40.41 N ATOM 0 H LYS A 70 -17.856 2.310 -3.852 1.00 25.23 H new ATOM 0 HA LYS A 70 -20.719 1.734 -3.854 1.00 12.10 H new ATOM 0 HB2 LYS A 70 -19.567 2.070 -1.712 1.00 24.23 H new ATOM 0 HB3 LYS A 70 -19.024 3.654 -2.228 1.00 24.23 H new ATOM 0 HG2 LYS A 70 -20.992 3.760 -0.717 1.00 2.23 H new ATOM 0 HG3 LYS A 70 -21.298 4.501 -2.275 1.00 2.23 H new ATOM 0 HD2 LYS A 70 -23.228 3.169 -1.704 1.00 44.21 H new ATOM 0 HD3 LYS A 70 -22.406 2.375 -3.032 1.00 44.21 H new ATOM 0 HE2 LYS A 70 -21.276 0.856 -1.386 1.00 22.33 H new ATOM 0 HE3 LYS A 70 -22.175 1.622 -0.091 1.00 22.33 H new ATOM 0 HZ1 LYS A 70 -23.243 -0.407 -0.818 1.00 40.41 H new ATOM 0 HZ2 LYS A 70 -24.241 0.925 -1.152 1.00 40.41 H new ATOM 0 HZ3 LYS A 70 -23.369 0.183 -2.405 1.00 40.41 H new ATOM 1043 N ASP A 71 -21.489 3.540 -5.269 1.00 54.14 N ATOM 1044 CA ASP A 71 -22.037 4.573 -6.121 1.00 71.31 C ATOM 1045 C ASP A 71 -22.611 5.677 -5.240 1.00 54.13 C ATOM 1046 O ASP A 71 -23.747 5.578 -4.773 1.00 71.02 O ATOM 1047 CB ASP A 71 -23.137 3.993 -7.013 1.00 72.32 C ATOM 1048 CG ASP A 71 -22.697 2.746 -7.755 1.00 34.12 C ATOM 1049 OD1 ASP A 71 -22.008 2.870 -8.786 1.00 54.41 O ATOM 1050 OD2 ASP A 71 -23.048 1.629 -7.313 1.00 41.10 O ATOM 0 H ASP A 71 -22.086 2.718 -5.179 1.00 54.14 H new ATOM 0 HA ASP A 71 -21.252 4.977 -6.761 1.00 71.31 H new ATOM 0 HB2 ASP A 71 -24.008 3.758 -6.401 1.00 72.32 H new ATOM 0 HB3 ASP A 71 -23.449 4.748 -7.734 1.00 72.32 H new ATOM 1055 N LEU A 72 -21.811 6.699 -4.977 1.00 25.23 N ATOM 1056 CA LEU A 72 -22.199 7.761 -4.056 1.00 62.21 C ATOM 1057 C LEU A 72 -22.954 8.865 -4.783 1.00 51.34 C ATOM 1058 O LEU A 72 -23.370 8.705 -5.932 1.00 34.14 O ATOM 1059 CB LEU A 72 -20.964 8.352 -3.366 1.00 1.42 C ATOM 1060 CG LEU A 72 -20.190 7.390 -2.465 1.00 35.20 C ATOM 1061 CD1 LEU A 72 -18.915 8.043 -1.955 1.00 73.42 C ATOM 1062 CD2 LEU A 72 -21.054 6.939 -1.297 1.00 43.01 C ATOM 0 H LEU A 72 -20.885 6.817 -5.389 1.00 25.23 H new ATOM 0 HA LEU A 72 -22.856 7.324 -3.304 1.00 62.21 H new ATOM 0 HB2 LEU A 72 -20.287 8.729 -4.132 1.00 1.42 H new ATOM 0 HB3 LEU A 72 -21.278 9.208 -2.769 1.00 1.42 H new ATOM 0 HG LEU A 72 -19.919 6.514 -3.055 1.00 35.20 H new ATOM 0 HD11 LEU A 72 -18.378 7.342 -1.315 1.00 73.42 H new ATOM 0 HD12 LEU A 72 -18.285 8.319 -2.800 1.00 73.42 H new ATOM 0 HD13 LEU A 72 -19.167 8.936 -1.383 1.00 73.42 H new ATOM 0 HD21 LEU A 72 -20.486 6.255 -0.667 1.00 43.01 H new ATOM 0 HD22 LEU A 72 -21.355 7.807 -0.711 1.00 43.01 H new ATOM 0 HD23 LEU A 72 -21.941 6.432 -1.675 1.00 43.01 H new ATOM 1074 N GLU A 73 -23.124 9.986 -4.104 1.00 51.43 N ATOM 1075 CA GLU A 73 -23.862 11.107 -4.651 1.00 71.52 C ATOM 1076 C GLU A 73 -22.918 12.095 -5.331 1.00 4.41 C ATOM 1077 O GLU A 73 -22.287 12.923 -4.673 1.00 44.42 O ATOM 1078 CB GLU A 73 -24.649 11.800 -3.544 1.00 12.33 C ATOM 1079 CG GLU A 73 -25.587 10.864 -2.799 1.00 71.04 C ATOM 1080 CD GLU A 73 -26.386 11.566 -1.723 1.00 13.34 C ATOM 1081 OE1 GLU A 73 -27.476 12.090 -2.035 1.00 1.11 O ATOM 1082 OE2 GLU A 73 -25.937 11.580 -0.557 1.00 13.11 O ATOM 0 H GLU A 73 -22.757 10.143 -3.165 1.00 51.43 H new ATOM 0 HA GLU A 73 -24.559 10.733 -5.401 1.00 71.52 H new ATOM 0 HB2 GLU A 73 -23.951 12.244 -2.835 1.00 12.33 H new ATOM 0 HB3 GLU A 73 -25.228 12.616 -3.975 1.00 12.33 H new ATOM 0 HG2 GLU A 73 -26.272 10.402 -3.510 1.00 71.04 H new ATOM 0 HG3 GLU A 73 -25.006 10.060 -2.347 1.00 71.04 H new ATOM 1089 N GLY A 74 -22.798 11.975 -6.645 1.00 40.53 N ATOM 1090 CA GLY A 74 -21.954 12.880 -7.404 1.00 43.11 C ATOM 1091 C GLY A 74 -20.547 12.346 -7.581 1.00 50.32 C ATOM 1092 O GLY A 74 -19.736 12.928 -8.300 1.00 31.23 O ATOM 0 H GLY A 74 -23.272 11.264 -7.203 1.00 40.53 H new ATOM 0 HA2 GLY A 74 -22.400 13.053 -8.383 1.00 43.11 H new ATOM 0 HA3 GLY A 74 -21.913 13.844 -6.898 1.00 43.11 H new ATOM 1096 N GLN A 75 -20.266 11.232 -6.926 1.00 70.34 N ATOM 1097 CA GLN A 75 -18.961 10.594 -6.994 1.00 15.13 C ATOM 1098 C GLN A 75 -19.092 9.146 -6.554 1.00 73.40 C ATOM 1099 O GLN A 75 -20.193 8.691 -6.260 1.00 60.12 O ATOM 1100 CB GLN A 75 -17.944 11.335 -6.112 1.00 54.11 C ATOM 1101 CG GLN A 75 -18.394 11.512 -4.670 1.00 70.23 C ATOM 1102 CD GLN A 75 -17.302 12.075 -3.780 1.00 42.14 C ATOM 1103 OE1 GLN A 75 -16.419 12.805 -4.236 1.00 65.13 O ATOM 1104 NE2 GLN A 75 -17.363 11.749 -2.499 1.00 54.33 N ATOM 0 H GLN A 75 -20.936 10.744 -6.332 1.00 70.34 H new ATOM 0 HA GLN A 75 -18.598 10.630 -8.021 1.00 15.13 H new ATOM 0 HB2 GLN A 75 -17.001 10.788 -6.124 1.00 54.11 H new ATOM 0 HB3 GLN A 75 -17.749 12.316 -6.545 1.00 54.11 H new ATOM 0 HG2 GLN A 75 -19.258 12.176 -4.642 1.00 70.23 H new ATOM 0 HG3 GLN A 75 -18.719 10.550 -4.275 1.00 70.23 H new ATOM 0 HE21 GLN A 75 -18.110 11.142 -2.162 1.00 54.33 H new ATOM 0 HE22 GLN A 75 -16.663 12.105 -1.848 1.00 54.33 H new ATOM 1113 N VAL A 76 -17.988 8.421 -6.523 1.00 24.14 N ATOM 1114 CA VAL A 76 -17.996 7.048 -6.039 1.00 14.32 C ATOM 1115 C VAL A 76 -16.846 6.810 -5.077 1.00 13.15 C ATOM 1116 O VAL A 76 -15.845 7.531 -5.103 1.00 4.43 O ATOM 1117 CB VAL A 76 -17.899 6.021 -7.187 1.00 62.13 C ATOM 1118 CG1 VAL A 76 -19.096 6.124 -8.121 1.00 21.34 C ATOM 1119 CG2 VAL A 76 -16.599 6.193 -7.956 1.00 74.35 C ATOM 0 H VAL A 76 -17.074 8.758 -6.826 1.00 24.14 H new ATOM 0 HA VAL A 76 -18.949 6.909 -5.528 1.00 14.32 H new ATOM 0 HB VAL A 76 -17.906 5.025 -6.745 1.00 62.13 H new ATOM 0 HG11 VAL A 76 -18.999 5.388 -8.919 1.00 21.34 H new ATOM 0 HG12 VAL A 76 -20.012 5.934 -7.561 1.00 21.34 H new ATOM 0 HG13 VAL A 76 -19.136 7.124 -8.552 1.00 21.34 H new ATOM 0 HG21 VAL A 76 -16.552 5.459 -8.760 1.00 74.35 H new ATOM 0 HG22 VAL A 76 -16.556 7.197 -8.378 1.00 74.35 H new ATOM 0 HG23 VAL A 76 -15.755 6.047 -7.282 1.00 74.35 H new ATOM 1129 N GLU A 77 -16.993 5.807 -4.230 1.00 34.21 N ATOM 1130 CA GLU A 77 -15.926 5.414 -3.333 1.00 64.33 C ATOM 1131 C GLU A 77 -15.405 4.041 -3.718 1.00 62.41 C ATOM 1132 O GLU A 77 -16.155 3.061 -3.746 1.00 52.02 O ATOM 1133 CB GLU A 77 -16.389 5.414 -1.873 1.00 65.32 C ATOM 1134 CG GLU A 77 -15.302 4.971 -0.906 1.00 73.33 C ATOM 1135 CD GLU A 77 -15.714 5.082 0.547 1.00 41.24 C ATOM 1136 OE1 GLU A 77 -16.610 4.327 0.978 1.00 73.13 O ATOM 1137 OE2 GLU A 77 -15.141 5.925 1.268 1.00 35.23 O ATOM 0 H GLU A 77 -17.843 5.250 -4.146 1.00 34.21 H new ATOM 0 HA GLU A 77 -15.123 6.145 -3.426 1.00 64.33 H new ATOM 0 HB2 GLU A 77 -16.722 6.416 -1.603 1.00 65.32 H new ATOM 0 HB3 GLU A 77 -17.250 4.754 -1.770 1.00 65.32 H new ATOM 0 HG2 GLU A 77 -15.032 3.937 -1.122 1.00 73.33 H new ATOM 0 HG3 GLU A 77 -14.410 5.575 -1.071 1.00 73.33 H new ATOM 1144 N LEU A 78 -14.128 3.990 -4.044 1.00 65.05 N ATOM 1145 CA LEU A 78 -13.458 2.741 -4.334 1.00 32.44 C ATOM 1146 C LEU A 78 -12.709 2.304 -3.087 1.00 54.22 C ATOM 1147 O LEU A 78 -11.751 2.954 -2.670 1.00 14.44 O ATOM 1148 CB LEU A 78 -12.508 2.914 -5.534 1.00 22.55 C ATOM 1149 CG LEU A 78 -11.856 1.634 -6.091 1.00 71.21 C ATOM 1150 CD1 LEU A 78 -10.682 1.182 -5.232 1.00 62.30 C ATOM 1151 CD2 LEU A 78 -12.884 0.517 -6.217 1.00 61.40 C ATOM 0 H LEU A 78 -13.528 4.812 -4.115 1.00 65.05 H new ATOM 0 HA LEU A 78 -14.181 1.972 -4.605 1.00 32.44 H new ATOM 0 HB2 LEU A 78 -13.063 3.392 -6.341 1.00 22.55 H new ATOM 0 HB3 LEU A 78 -11.714 3.601 -5.243 1.00 22.55 H new ATOM 0 HG LEU A 78 -11.471 1.869 -7.083 1.00 71.21 H new ATOM 0 HD11 LEU A 78 -10.248 0.277 -5.656 1.00 62.30 H new ATOM 0 HD12 LEU A 78 -9.927 1.968 -5.205 1.00 62.30 H new ATOM 0 HD13 LEU A 78 -11.030 0.978 -4.219 1.00 62.30 H new ATOM 0 HD21 LEU A 78 -12.403 -0.378 -6.612 1.00 61.40 H new ATOM 0 HD22 LEU A 78 -13.306 0.299 -5.236 1.00 61.40 H new ATOM 0 HD23 LEU A 78 -13.680 0.829 -6.893 1.00 61.40 H new ATOM 1163 N ASP A 79 -13.161 1.224 -2.482 1.00 34.20 N ATOM 1164 CA ASP A 79 -12.570 0.756 -1.235 1.00 70.01 C ATOM 1165 C ASP A 79 -12.147 -0.693 -1.364 1.00 61.00 C ATOM 1166 O ASP A 79 -12.986 -1.575 -1.537 1.00 42.21 O ATOM 1167 CB ASP A 79 -13.554 0.916 -0.074 1.00 1.54 C ATOM 1168 CG ASP A 79 -13.042 0.300 1.215 1.00 42.42 C ATOM 1169 OD1 ASP A 79 -12.192 0.921 1.881 1.00 31.35 O ATOM 1170 OD2 ASP A 79 -13.507 -0.800 1.578 1.00 52.22 O ATOM 0 H ASP A 79 -13.932 0.653 -2.828 1.00 34.20 H new ATOM 0 HA ASP A 79 -11.689 1.363 -1.026 1.00 70.01 H new ATOM 0 HB2 ASP A 79 -13.750 1.976 0.087 1.00 1.54 H new ATOM 0 HB3 ASP A 79 -14.504 0.453 -0.341 1.00 1.54 H new ATOM 1175 N ALA A 80 -10.848 -0.930 -1.292 1.00 0.24 N ATOM 1176 CA ALA A 80 -10.303 -2.263 -1.474 1.00 31.21 C ATOM 1177 C ALA A 80 -9.471 -2.695 -0.275 1.00 11.22 C ATOM 1178 O ALA A 80 -8.569 -1.980 0.159 1.00 13.31 O ATOM 1179 CB ALA A 80 -9.465 -2.319 -2.742 1.00 10.25 C ATOM 0 H ALA A 80 -10.148 -0.211 -1.108 1.00 0.24 H new ATOM 0 HA ALA A 80 -11.140 -2.955 -1.566 1.00 31.21 H new ATOM 0 HB1 ALA A 80 -9.062 -3.324 -2.868 1.00 10.25 H new ATOM 0 HB2 ALA A 80 -10.087 -2.068 -3.601 1.00 10.25 H new ATOM 0 HB3 ALA A 80 -8.644 -1.605 -2.668 1.00 10.25 H new ATOM 1185 N ALA A 81 -9.796 -3.859 0.265 1.00 24.51 N ATOM 1186 CA ALA A 81 -9.024 -4.447 1.342 1.00 53.33 C ATOM 1187 C ALA A 81 -8.261 -5.667 0.838 1.00 3.05 C ATOM 1188 O ALA A 81 -8.859 -6.689 0.498 1.00 42.31 O ATOM 1189 CB ALA A 81 -9.928 -4.824 2.505 1.00 13.01 C ATOM 0 H ALA A 81 -10.597 -4.417 -0.030 1.00 24.51 H new ATOM 0 HA ALA A 81 -8.304 -3.709 1.696 1.00 53.33 H new ATOM 0 HB1 ALA A 81 -9.330 -5.264 3.303 1.00 13.01 H new ATOM 0 HB2 ALA A 81 -10.432 -3.932 2.878 1.00 13.01 H new ATOM 0 HB3 ALA A 81 -10.671 -5.547 2.169 1.00 13.01 H new ATOM 1195 N PHE A 82 -6.945 -5.545 0.770 1.00 44.25 N ATOM 1196 CA PHE A 82 -6.093 -6.634 0.303 1.00 14.11 C ATOM 1197 C PHE A 82 -5.444 -7.355 1.475 1.00 4.54 C ATOM 1198 O PHE A 82 -4.614 -6.784 2.182 1.00 1.45 O ATOM 1199 CB PHE A 82 -4.990 -6.107 -0.622 1.00 34.34 C ATOM 1200 CG PHE A 82 -5.472 -5.612 -1.956 1.00 14.42 C ATOM 1201 CD1 PHE A 82 -5.934 -4.315 -2.107 1.00 63.33 C ATOM 1202 CD2 PHE A 82 -5.449 -6.443 -3.064 1.00 14.44 C ATOM 1203 CE1 PHE A 82 -6.368 -3.859 -3.336 1.00 5.43 C ATOM 1204 CE2 PHE A 82 -5.881 -5.992 -4.296 1.00 73.45 C ATOM 1205 CZ PHE A 82 -6.341 -4.696 -4.431 1.00 3.02 C ATOM 0 H PHE A 82 -6.439 -4.699 1.033 1.00 44.25 H new ATOM 0 HA PHE A 82 -6.728 -7.329 -0.247 1.00 14.11 H new ATOM 0 HB2 PHE A 82 -4.467 -5.295 -0.116 1.00 34.34 H new ATOM 0 HB3 PHE A 82 -4.262 -6.901 -0.786 1.00 34.34 H new ATOM 0 HD1 PHE A 82 -5.955 -3.653 -1.254 1.00 63.33 H new ATOM 0 HD2 PHE A 82 -5.089 -7.456 -2.963 1.00 14.44 H new ATOM 0 HE1 PHE A 82 -6.729 -2.846 -3.439 1.00 5.43 H new ATOM 0 HE2 PHE A 82 -5.859 -6.651 -5.152 1.00 73.45 H new ATOM 0 HZ PHE A 82 -6.679 -4.339 -5.393 1.00 3.02 H new ATOM 1215 N THR A 83 -5.825 -8.601 1.687 1.00 34.52 N ATOM 1216 CA THR A 83 -5.188 -9.427 2.699 1.00 21.45 C ATOM 1217 C THR A 83 -4.048 -10.225 2.076 1.00 64.32 C ATOM 1218 O THR A 83 -4.278 -11.193 1.347 1.00 12.42 O ATOM 1219 CB THR A 83 -6.196 -10.392 3.354 1.00 20.52 C ATOM 1220 OG1 THR A 83 -7.285 -9.646 3.913 1.00 5.42 O ATOM 1221 CG2 THR A 83 -5.535 -11.223 4.445 1.00 20.43 C ATOM 0 H THR A 83 -6.573 -9.065 1.172 1.00 34.52 H new ATOM 0 HA THR A 83 -4.796 -8.766 3.472 1.00 21.45 H new ATOM 0 HB THR A 83 -6.567 -11.070 2.585 1.00 20.52 H new ATOM 0 HG1 THR A 83 -7.925 -10.262 4.327 1.00 5.42 H new ATOM 0 HG21 THR A 83 -6.271 -11.894 4.888 1.00 20.43 H new ATOM 0 HG22 THR A 83 -4.723 -11.809 4.014 1.00 20.43 H new ATOM 0 HG23 THR A 83 -5.137 -10.562 5.215 1.00 20.43 H new ATOM 1229 N PHE A 84 -2.823 -9.797 2.348 1.00 2.51 N ATOM 1230 CA PHE A 84 -1.645 -10.450 1.795 1.00 1.20 C ATOM 1231 C PHE A 84 -1.316 -11.724 2.565 1.00 61.21 C ATOM 1232 O PHE A 84 -1.914 -12.006 3.608 1.00 2.44 O ATOM 1233 CB PHE A 84 -0.453 -9.492 1.804 1.00 30.44 C ATOM 1234 CG PHE A 84 -0.550 -8.413 0.764 1.00 73.33 C ATOM 1235 CD1 PHE A 84 -1.238 -7.240 1.020 1.00 74.41 C ATOM 1236 CD2 PHE A 84 0.049 -8.577 -0.475 1.00 50.30 C ATOM 1237 CE1 PHE A 84 -1.326 -6.249 0.061 1.00 51.01 C ATOM 1238 CE2 PHE A 84 -0.034 -7.591 -1.438 1.00 43.43 C ATOM 1239 CZ PHE A 84 -0.723 -6.425 -1.170 1.00 64.34 C ATOM 0 H PHE A 84 -2.619 -8.999 2.949 1.00 2.51 H new ATOM 0 HA PHE A 84 -1.861 -10.727 0.763 1.00 1.20 H new ATOM 0 HB2 PHE A 84 -0.373 -9.032 2.789 1.00 30.44 H new ATOM 0 HB3 PHE A 84 0.463 -10.061 1.643 1.00 30.44 H new ATOM 0 HD1 PHE A 84 -1.712 -7.097 1.980 1.00 74.41 H new ATOM 0 HD2 PHE A 84 0.588 -9.488 -0.690 1.00 50.30 H new ATOM 0 HE1 PHE A 84 -1.865 -5.338 0.273 1.00 51.01 H new ATOM 0 HE2 PHE A 84 0.439 -7.732 -2.399 1.00 43.43 H new ATOM 0 HZ PHE A 84 -0.791 -5.652 -1.921 1.00 64.34 H new ATOM 1249 N SER A 85 -0.362 -12.485 2.056 1.00 2.14 N ATOM 1250 CA SER A 85 -0.009 -13.755 2.660 1.00 14.31 C ATOM 1251 C SER A 85 1.275 -13.610 3.467 1.00 3.22 C ATOM 1252 O SER A 85 1.576 -14.428 4.337 1.00 61.21 O ATOM 1253 CB SER A 85 0.138 -14.824 1.577 1.00 5.44 C ATOM 1254 OG SER A 85 -1.017 -14.870 0.751 1.00 64.45 O ATOM 0 H SER A 85 0.181 -12.244 1.227 1.00 2.14 H new ATOM 0 HA SER A 85 -0.803 -14.065 3.339 1.00 14.31 H new ATOM 0 HB2 SER A 85 1.017 -14.613 0.968 1.00 5.44 H new ATOM 0 HB3 SER A 85 0.298 -15.798 2.040 1.00 5.44 H new ATOM 0 HG SER A 85 -0.901 -15.559 0.064 1.00 64.45 H new ATOM 1260 N CYS A 86 2.026 -12.559 3.167 1.00 31.45 N ATOM 1261 CA CYS A 86 3.197 -12.205 3.944 1.00 21.32 C ATOM 1262 C CYS A 86 3.051 -10.775 4.446 1.00 13.24 C ATOM 1263 O CYS A 86 2.373 -9.958 3.822 1.00 14.30 O ATOM 1264 CB CYS A 86 4.465 -12.354 3.098 1.00 22.33 C ATOM 1265 SG CYS A 86 5.995 -11.893 3.942 1.00 30.44 S ATOM 0 H CYS A 86 1.839 -11.934 2.383 1.00 31.45 H new ATOM 0 HA CYS A 86 3.282 -12.877 4.798 1.00 21.32 H new ATOM 0 HB2 CYS A 86 4.546 -13.390 2.769 1.00 22.33 H new ATOM 0 HB3 CYS A 86 4.362 -11.742 2.202 1.00 22.33 H new ATOM 0 HG CYS A 86 7.002 -12.060 3.137 1.00 30.44 H new ATOM 1271 N GLN A 87 3.663 -10.473 5.576 1.00 35.42 N ATOM 1272 CA GLN A 87 3.590 -9.127 6.121 1.00 63.10 C ATOM 1273 C GLN A 87 4.472 -8.179 5.321 1.00 11.22 C ATOM 1274 O GLN A 87 4.135 -7.008 5.149 1.00 21.44 O ATOM 1275 CB GLN A 87 3.981 -9.103 7.602 1.00 54.12 C ATOM 1276 CG GLN A 87 3.972 -7.703 8.208 1.00 24.34 C ATOM 1277 CD GLN A 87 3.935 -7.714 9.721 1.00 74.31 C ATOM 1278 OE1 GLN A 87 4.974 -7.702 10.383 1.00 14.34 O ATOM 1279 NE2 GLN A 87 2.736 -7.736 10.279 1.00 3.55 N ATOM 0 H GLN A 87 4.210 -11.132 6.130 1.00 35.42 H new ATOM 0 HA GLN A 87 2.556 -8.791 6.044 1.00 63.10 H new ATOM 0 HB2 GLN A 87 3.294 -9.738 8.162 1.00 54.12 H new ATOM 0 HB3 GLN A 87 4.976 -9.533 7.715 1.00 54.12 H new ATOM 0 HG2 GLN A 87 4.859 -7.163 7.876 1.00 24.34 H new ATOM 0 HG3 GLN A 87 3.107 -7.156 7.833 1.00 24.34 H new ATOM 0 HE21 GLN A 87 1.901 -7.745 9.693 1.00 3.55 H new ATOM 0 HE22 GLN A 87 2.646 -7.744 11.295 1.00 3.55 H new ATOM 1288 N ALA A 88 5.582 -8.701 4.805 1.00 33.45 N ATOM 1289 CA ALA A 88 6.536 -7.894 4.051 1.00 64.43 C ATOM 1290 C ALA A 88 5.891 -7.303 2.800 1.00 2.03 C ATOM 1291 O ALA A 88 5.997 -6.104 2.545 1.00 4.31 O ATOM 1292 CB ALA A 88 7.756 -8.725 3.680 1.00 23.12 C ATOM 0 H ALA A 88 5.843 -9.683 4.896 1.00 33.45 H new ATOM 0 HA ALA A 88 6.855 -7.067 4.686 1.00 64.43 H new ATOM 0 HB1 ALA A 88 8.458 -8.109 3.118 1.00 23.12 H new ATOM 0 HB2 ALA A 88 8.238 -9.089 4.587 1.00 23.12 H new ATOM 0 HB3 ALA A 88 7.447 -9.573 3.068 1.00 23.12 H new ATOM 1298 N GLU A 89 5.199 -8.146 2.042 1.00 52.02 N ATOM 1299 CA GLU A 89 4.532 -7.715 0.815 1.00 21.15 C ATOM 1300 C GLU A 89 3.414 -6.722 1.114 1.00 34.24 C ATOM 1301 O GLU A 89 3.086 -5.874 0.285 1.00 24.44 O ATOM 1302 CB GLU A 89 3.978 -8.929 0.059 1.00 44.45 C ATOM 1303 CG GLU A 89 3.161 -9.872 0.919 1.00 3.33 C ATOM 1304 CD GLU A 89 2.682 -11.084 0.151 1.00 22.40 C ATOM 1305 OE1 GLU A 89 3.416 -11.549 -0.745 1.00 42.41 O ATOM 1306 OE2 GLU A 89 1.580 -11.584 0.454 1.00 62.12 O ATOM 0 H GLU A 89 5.084 -9.137 2.255 1.00 52.02 H new ATOM 0 HA GLU A 89 5.269 -7.212 0.188 1.00 21.15 H new ATOM 0 HB2 GLU A 89 3.359 -8.578 -0.766 1.00 44.45 H new ATOM 0 HB3 GLU A 89 4.809 -9.482 -0.379 1.00 44.45 H new ATOM 0 HG2 GLU A 89 3.762 -10.197 1.768 1.00 3.33 H new ATOM 0 HG3 GLU A 89 2.301 -9.338 1.323 1.00 3.33 H new ATOM 1313 N MET A 90 2.847 -6.819 2.307 1.00 52.02 N ATOM 1314 CA MET A 90 1.764 -5.937 2.711 1.00 43.35 C ATOM 1315 C MET A 90 2.292 -4.544 3.060 1.00 53.10 C ATOM 1316 O MET A 90 1.770 -3.540 2.576 1.00 23.23 O ATOM 1317 CB MET A 90 0.996 -6.552 3.891 1.00 10.32 C ATOM 1318 CG MET A 90 -0.139 -5.689 4.426 1.00 70.01 C ATOM 1319 SD MET A 90 0.416 -4.478 5.639 1.00 72.32 S ATOM 1320 CE MET A 90 1.111 -5.559 6.887 1.00 22.35 C ATOM 0 H MET A 90 3.120 -7.502 3.014 1.00 52.02 H new ATOM 0 HA MET A 90 1.076 -5.824 1.873 1.00 43.35 H new ATOM 0 HB2 MET A 90 0.588 -7.514 3.581 1.00 10.32 H new ATOM 0 HB3 MET A 90 1.698 -6.750 4.701 1.00 10.32 H new ATOM 0 HG2 MET A 90 -0.618 -5.171 3.595 1.00 70.01 H new ATOM 0 HG3 MET A 90 -0.894 -6.331 4.880 1.00 70.01 H new ATOM 0 HE1 MET A 90 1.123 -5.045 7.848 1.00 22.35 H new ATOM 0 HE2 MET A 90 0.504 -6.461 6.966 1.00 22.35 H new ATOM 0 HE3 MET A 90 2.129 -5.830 6.608 1.00 22.35 H new ATOM 1330 N ILE A 91 3.342 -4.484 3.875 1.00 10.40 N ATOM 1331 CA ILE A 91 3.872 -3.205 4.334 1.00 54.31 C ATOM 1332 C ILE A 91 4.538 -2.420 3.204 1.00 51.13 C ATOM 1333 O ILE A 91 4.458 -1.191 3.166 1.00 31.10 O ATOM 1334 CB ILE A 91 4.857 -3.374 5.514 1.00 44.10 C ATOM 1335 CG1 ILE A 91 5.824 -4.532 5.259 1.00 20.02 C ATOM 1336 CG2 ILE A 91 4.095 -3.584 6.812 1.00 11.25 C ATOM 1337 CD1 ILE A 91 6.843 -4.742 6.360 1.00 41.24 C ATOM 0 H ILE A 91 3.839 -5.301 4.229 1.00 10.40 H new ATOM 0 HA ILE A 91 3.014 -2.633 4.686 1.00 54.31 H new ATOM 0 HB ILE A 91 5.446 -2.461 5.602 1.00 44.10 H new ATOM 0 HG12 ILE A 91 5.249 -5.449 5.131 1.00 20.02 H new ATOM 0 HG13 ILE A 91 6.350 -4.352 4.321 1.00 20.02 H new ATOM 0 HG21 ILE A 91 4.801 -3.701 7.634 1.00 11.25 H new ATOM 0 HG22 ILE A 91 3.457 -2.721 7.003 1.00 11.25 H new ATOM 0 HG23 ILE A 91 3.480 -4.480 6.732 1.00 11.25 H new ATOM 0 HD11 ILE A 91 7.490 -5.581 6.102 1.00 41.24 H new ATOM 0 HD12 ILE A 91 7.446 -3.841 6.475 1.00 41.24 H new ATOM 0 HD13 ILE A 91 6.328 -4.956 7.297 1.00 41.24 H new ATOM 1349 N ILE A 92 5.179 -3.118 2.272 1.00 14.41 N ATOM 1350 CA ILE A 92 5.780 -2.451 1.125 1.00 54.34 C ATOM 1351 C ILE A 92 4.692 -1.946 0.178 1.00 52.31 C ATOM 1352 O ILE A 92 4.865 -0.932 -0.501 1.00 65.02 O ATOM 1353 CB ILE A 92 6.789 -3.361 0.376 1.00 34.52 C ATOM 1354 CG1 ILE A 92 6.129 -4.631 -0.162 1.00 10.33 C ATOM 1355 CG2 ILE A 92 7.956 -3.718 1.283 1.00 42.03 C ATOM 1356 CD1 ILE A 92 5.687 -4.524 -1.606 1.00 51.42 C ATOM 0 H ILE A 92 5.294 -4.131 2.288 1.00 14.41 H new ATOM 0 HA ILE A 92 6.346 -1.599 1.501 1.00 54.34 H new ATOM 0 HB ILE A 92 7.159 -2.797 -0.480 1.00 34.52 H new ATOM 0 HG12 ILE A 92 6.828 -5.462 -0.066 1.00 10.33 H new ATOM 0 HG13 ILE A 92 5.264 -4.870 0.457 1.00 10.33 H new ATOM 0 HG21 ILE A 92 8.655 -4.357 0.743 1.00 42.03 H new ATOM 0 HG22 ILE A 92 8.465 -2.807 1.596 1.00 42.03 H new ATOM 0 HG23 ILE A 92 7.586 -4.247 2.161 1.00 42.03 H new ATOM 0 HD11 ILE A 92 5.228 -5.463 -1.917 1.00 51.42 H new ATOM 0 HD12 ILE A 92 4.963 -3.716 -1.706 1.00 51.42 H new ATOM 0 HD13 ILE A 92 6.551 -4.316 -2.237 1.00 51.42 H new ATOM 1368 N PHE A 93 3.565 -2.651 0.156 1.00 51.14 N ATOM 1369 CA PHE A 93 2.407 -2.241 -0.630 1.00 22.42 C ATOM 1370 C PHE A 93 1.866 -0.921 -0.093 1.00 32.24 C ATOM 1371 O PHE A 93 1.565 -0.003 -0.857 1.00 5.33 O ATOM 1372 CB PHE A 93 1.334 -3.335 -0.574 1.00 40.30 C ATOM 1373 CG PHE A 93 0.130 -3.079 -1.438 1.00 54.33 C ATOM 1374 CD1 PHE A 93 0.219 -3.156 -2.820 1.00 4.44 C ATOM 1375 CD2 PHE A 93 -1.097 -2.789 -0.864 1.00 72.41 C ATOM 1376 CE1 PHE A 93 -0.893 -2.943 -3.610 1.00 14.03 C ATOM 1377 CE2 PHE A 93 -2.211 -2.573 -1.651 1.00 1.24 C ATOM 1378 CZ PHE A 93 -2.108 -2.651 -3.026 1.00 63.02 C ATOM 0 H PHE A 93 3.429 -3.516 0.679 1.00 51.14 H new ATOM 0 HA PHE A 93 2.699 -2.097 -1.670 1.00 22.42 H new ATOM 0 HB2 PHE A 93 1.784 -4.282 -0.873 1.00 40.30 H new ATOM 0 HB3 PHE A 93 1.005 -3.450 0.459 1.00 40.30 H new ATOM 0 HD1 PHE A 93 1.168 -3.385 -3.283 1.00 4.44 H new ATOM 0 HD2 PHE A 93 -1.183 -2.731 0.211 1.00 72.41 H new ATOM 0 HE1 PHE A 93 -0.812 -3.005 -4.685 1.00 14.03 H new ATOM 0 HE2 PHE A 93 -3.161 -2.343 -1.192 1.00 1.24 H new ATOM 0 HZ PHE A 93 -2.978 -2.483 -3.643 1.00 63.02 H new ATOM 1388 N GLU A 94 1.797 -0.828 1.231 1.00 5.44 N ATOM 1389 CA GLU A 94 1.357 0.386 1.914 1.00 64.45 C ATOM 1390 C GLU A 94 2.188 1.588 1.476 1.00 72.33 C ATOM 1391 O GLU A 94 1.647 2.663 1.200 1.00 61.21 O ATOM 1392 CB GLU A 94 1.489 0.218 3.433 1.00 72.20 C ATOM 1393 CG GLU A 94 0.566 -0.825 4.040 1.00 30.10 C ATOM 1394 CD GLU A 94 -0.855 -0.328 4.189 1.00 44.04 C ATOM 1395 OE1 GLU A 94 -1.040 0.862 4.514 1.00 24.34 O ATOM 1396 OE2 GLU A 94 -1.794 -1.122 3.987 1.00 2.51 O ATOM 0 H GLU A 94 2.044 -1.591 1.861 1.00 5.44 H new ATOM 0 HA GLU A 94 0.313 0.557 1.650 1.00 64.45 H new ATOM 0 HB2 GLU A 94 2.520 -0.049 3.667 1.00 72.20 H new ATOM 0 HB3 GLU A 94 1.292 1.178 3.909 1.00 72.20 H new ATOM 0 HG2 GLU A 94 0.571 -1.718 3.414 1.00 30.10 H new ATOM 0 HG3 GLU A 94 0.949 -1.119 5.017 1.00 30.10 H new ATOM 1403 N LEU A 95 3.498 1.400 1.408 1.00 63.22 N ATOM 1404 CA LEU A 95 4.402 2.471 1.006 1.00 50.41 C ATOM 1405 C LEU A 95 4.250 2.790 -0.478 1.00 41.12 C ATOM 1406 O LEU A 95 4.133 3.958 -0.857 1.00 73.11 O ATOM 1407 CB LEU A 95 5.852 2.101 1.322 1.00 71.33 C ATOM 1408 CG LEU A 95 6.187 1.987 2.812 1.00 43.05 C ATOM 1409 CD1 LEU A 95 7.663 1.682 2.996 1.00 4.01 C ATOM 1410 CD2 LEU A 95 5.813 3.268 3.548 1.00 11.25 C ATOM 0 H LEU A 95 3.960 0.517 1.626 1.00 63.22 H new ATOM 0 HA LEU A 95 4.137 3.362 1.575 1.00 50.41 H new ATOM 0 HB2 LEU A 95 6.080 1.150 0.841 1.00 71.33 H new ATOM 0 HB3 LEU A 95 6.507 2.849 0.875 1.00 71.33 H new ATOM 0 HG LEU A 95 5.605 1.168 3.235 1.00 43.05 H new ATOM 0 HD11 LEU A 95 7.888 1.603 4.060 1.00 4.01 H new ATOM 0 HD12 LEU A 95 7.904 0.740 2.503 1.00 4.01 H new ATOM 0 HD13 LEU A 95 8.258 2.483 2.557 1.00 4.01 H new ATOM 0 HD21 LEU A 95 6.059 3.166 4.605 1.00 11.25 H new ATOM 0 HD22 LEU A 95 6.368 4.106 3.126 1.00 11.25 H new ATOM 0 HD23 LEU A 95 4.744 3.450 3.441 1.00 11.25 H new ATOM 1422 N SER A 96 4.249 1.749 -1.307 1.00 13.24 N ATOM 1423 CA SER A 96 4.093 1.906 -2.752 1.00 42.10 C ATOM 1424 C SER A 96 2.828 2.699 -3.097 1.00 53.24 C ATOM 1425 O SER A 96 2.841 3.532 -4.001 1.00 43.45 O ATOM 1426 CB SER A 96 4.051 0.533 -3.433 1.00 34.33 C ATOM 1427 OG SER A 96 5.211 -0.227 -3.129 1.00 64.32 O ATOM 0 H SER A 96 4.355 0.782 -1.001 1.00 13.24 H new ATOM 0 HA SER A 96 4.953 2.465 -3.120 1.00 42.10 H new ATOM 0 HB2 SER A 96 3.163 -0.009 -3.109 1.00 34.33 H new ATOM 0 HB3 SER A 96 3.970 0.662 -4.512 1.00 34.33 H new ATOM 0 HG SER A 96 5.102 -0.655 -2.254 1.00 64.32 H new ATOM 1433 N LEU A 97 1.745 2.447 -2.362 1.00 20.12 N ATOM 1434 CA LEU A 97 0.480 3.147 -2.584 1.00 2.25 C ATOM 1435 C LEU A 97 0.646 4.659 -2.456 1.00 34.44 C ATOM 1436 O LEU A 97 0.264 5.419 -3.349 1.00 3.03 O ATOM 1437 CB LEU A 97 -0.582 2.679 -1.581 1.00 73.04 C ATOM 1438 CG LEU A 97 -0.977 1.207 -1.663 1.00 51.13 C ATOM 1439 CD1 LEU A 97 -2.052 0.900 -0.635 1.00 64.12 C ATOM 1440 CD2 LEU A 97 -1.456 0.860 -3.065 1.00 12.21 C ATOM 0 H LEU A 97 1.719 1.762 -1.607 1.00 20.12 H new ATOM 0 HA LEU A 97 0.159 2.911 -3.599 1.00 2.25 H new ATOM 0 HB2 LEU A 97 -0.216 2.881 -0.574 1.00 73.04 H new ATOM 0 HB3 LEU A 97 -1.478 3.284 -1.722 1.00 73.04 H new ATOM 0 HG LEU A 97 -0.102 0.595 -1.444 1.00 51.13 H new ATOM 0 HD11 LEU A 97 -2.328 -0.152 -0.700 1.00 64.12 H new ATOM 0 HD12 LEU A 97 -1.672 1.114 0.364 1.00 64.12 H new ATOM 0 HD13 LEU A 97 -2.929 1.518 -0.830 1.00 64.12 H new ATOM 0 HD21 LEU A 97 -1.733 -0.193 -3.104 1.00 12.21 H new ATOM 0 HD22 LEU A 97 -2.322 1.473 -3.316 1.00 12.21 H new ATOM 0 HD23 LEU A 97 -0.656 1.052 -3.781 1.00 12.21 H new ATOM 1452 N ARG A 98 1.238 5.085 -1.350 1.00 14.41 N ATOM 1453 CA ARG A 98 1.327 6.505 -1.025 1.00 30.10 C ATOM 1454 C ARG A 98 2.409 7.192 -1.838 1.00 73.21 C ATOM 1455 O ARG A 98 2.298 8.370 -2.158 1.00 12.35 O ATOM 1456 CB ARG A 98 1.604 6.704 0.465 1.00 23.41 C ATOM 1457 CG ARG A 98 0.378 6.573 1.357 1.00 42.23 C ATOM 1458 CD ARG A 98 -0.202 5.168 1.343 1.00 34.12 C ATOM 1459 NE ARG A 98 -1.336 5.030 2.254 1.00 3.15 N ATOM 1460 CZ ARG A 98 -1.540 3.962 3.026 1.00 23.44 C ATOM 1461 NH1 ARG A 98 -0.683 2.951 2.996 1.00 64.21 N ATOM 1462 NH2 ARG A 98 -2.599 3.908 3.825 1.00 1.40 N ATOM 0 H ARG A 98 1.665 4.468 -0.660 1.00 14.41 H new ATOM 0 HA ARG A 98 0.366 6.955 -1.275 1.00 30.10 H new ATOM 0 HB2 ARG A 98 2.349 5.975 0.784 1.00 23.41 H new ATOM 0 HB3 ARG A 98 2.041 7.692 0.612 1.00 23.41 H new ATOM 0 HG2 ARG A 98 0.645 6.843 2.379 1.00 42.23 H new ATOM 0 HG3 ARG A 98 -0.384 7.281 1.029 1.00 42.23 H new ATOM 0 HD2 ARG A 98 -0.519 4.918 0.331 1.00 34.12 H new ATOM 0 HD3 ARG A 98 0.573 4.454 1.620 1.00 34.12 H new ATOM 0 HE ARG A 98 -2.010 5.794 2.302 1.00 3.15 H new ATOM 0 HH11 ARG A 98 0.131 2.991 2.383 1.00 64.21 H new ATOM 0 HH12 ARG A 98 -0.838 2.133 3.586 1.00 64.21 H new ATOM 0 HH21 ARG A 98 -3.259 4.685 3.850 1.00 1.40 H new ATOM 0 HH22 ARG A 98 -2.752 3.090 4.414 1.00 1.40 H new ATOM 1476 N SER A 99 3.449 6.452 -2.172 1.00 24.52 N ATOM 1477 CA SER A 99 4.581 7.011 -2.896 1.00 42.31 C ATOM 1478 C SER A 99 4.314 7.052 -4.401 1.00 32.12 C ATOM 1479 O SER A 99 5.154 7.507 -5.178 1.00 43.55 O ATOM 1480 CB SER A 99 5.838 6.191 -2.604 1.00 33.43 C ATOM 1481 OG SER A 99 6.013 6.018 -1.204 1.00 60.12 O ATOM 0 H SER A 99 3.536 5.459 -1.954 1.00 24.52 H new ATOM 0 HA SER A 99 4.730 8.036 -2.557 1.00 42.31 H new ATOM 0 HB2 SER A 99 5.764 5.218 -3.089 1.00 33.43 H new ATOM 0 HB3 SER A 99 6.710 6.691 -3.025 1.00 33.43 H new ATOM 0 HG SER A 99 5.403 5.322 -0.882 1.00 60.12 H new ATOM 1487 N LEU A 100 3.143 6.585 -4.809 1.00 5.31 N ATOM 1488 CA LEU A 100 2.797 6.545 -6.220 1.00 14.22 C ATOM 1489 C LEU A 100 1.622 7.461 -6.526 1.00 22.44 C ATOM 1490 O LEU A 100 1.737 8.390 -7.325 1.00 74.24 O ATOM 1491 CB LEU A 100 2.443 5.119 -6.633 1.00 72.01 C ATOM 1492 CG LEU A 100 2.274 4.894 -8.139 1.00 12.14 C ATOM 1493 CD1 LEU A 100 3.595 5.100 -8.863 1.00 35.41 C ATOM 1494 CD2 LEU A 100 1.727 3.501 -8.409 1.00 54.41 C ATOM 0 H LEU A 100 2.419 6.230 -4.184 1.00 5.31 H new ATOM 0 HA LEU A 100 3.664 6.889 -6.784 1.00 14.22 H new ATOM 0 HB2 LEU A 100 3.222 4.449 -6.268 1.00 72.01 H new ATOM 0 HB3 LEU A 100 1.517 4.834 -6.134 1.00 72.01 H new ATOM 0 HG LEU A 100 1.560 5.625 -8.519 1.00 12.14 H new ATOM 0 HD11 LEU A 100 3.454 4.936 -9.931 1.00 35.41 H new ATOM 0 HD12 LEU A 100 3.947 6.118 -8.696 1.00 35.41 H new ATOM 0 HD13 LEU A 100 4.333 4.394 -8.482 1.00 35.41 H new ATOM 0 HD21 LEU A 100 1.613 3.357 -9.483 1.00 54.41 H new ATOM 0 HD22 LEU A 100 2.418 2.756 -8.014 1.00 54.41 H new ATOM 0 HD23 LEU A 100 0.758 3.390 -7.923 1.00 54.41 H new