USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 CYS SG : rot 144:sc= 0.265 USER MOD Set 1.2: A 34 CYS SG : rot -60:sc= 0.946 USER MOD Set 1.3: A 56 CYS SG : rot 116:sc= 0.313 USER MOD Set 1.4: A 57 MET CE :methyl 154:sc= -1.62 (180deg=-1.98!) USER MOD Set 1.5: A 67 CYS SG : rot -67:sc= 0.296 USER MOD Single : A 26 SER OG : rot 20:sc= 0.295 USER MOD Single : A 36 LYS NZ :NH3+ -141:sc= 0.32 (180deg=-2.51!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.997 F(o=-2.7!,f=-1) USER MOD Single : A 59 ASN : amide:sc= -0.136 K(o=-0.14,f=-4.3!) 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+ 165:sc= 0.00367 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.96 F(o=-2.2,f=-0.96) USER MOD Single : A 73 MET CE :methyl -158:sc= -2.75 (180deg=-3.56!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.053) USER MOD Single : A 79 ASN :FLIP amide:sc= 0.846 F(o=-0.1,f=0.85) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.907 F(o=-2,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.659 -11.974 -0.778 1.00 3.31 N ATOM 367 CA SER A 26 3.438 -11.497 -1.414 1.00 34.23 C ATOM 368 C SER A 26 3.437 -9.975 -1.518 1.00 53.45 C ATOM 369 O SER A 26 3.953 -9.282 -0.642 1.00 24.32 O ATOM 370 CB SER A 26 2.212 -11.966 -0.628 1.00 33.40 C ATOM 371 OG SER A 26 2.341 -13.323 -0.242 1.00 44.12 O ATOM 0 HA SER A 26 3.397 -11.912 -2.421 1.00 34.23 H new ATOM 0 HB2 SER A 26 2.084 -11.344 0.258 1.00 33.40 H new ATOM 0 HB3 SER A 26 1.317 -11.842 -1.237 1.00 33.40 H new ATOM 0 HG SER A 26 3.285 -13.585 -0.277 1.00 44.12 H new ATOM 377 N ALA A 27 2.855 -9.462 -2.597 1.00 64.13 N ATOM 378 CA ALA A 27 2.785 -8.023 -2.816 1.00 61.01 C ATOM 379 C ALA A 27 1.339 -7.556 -2.936 1.00 54.02 C ATOM 380 O ALA A 27 0.439 -8.353 -3.204 1.00 2.42 O ATOM 381 CB ALA A 27 3.571 -7.640 -4.062 1.00 21.25 C ATOM 0 H ALA A 27 2.425 -10.022 -3.333 1.00 64.13 H new ATOM 0 HA ALA A 27 3.229 -7.527 -1.953 1.00 61.01 H new ATOM 0 HB1 ALA A 27 3.510 -6.562 -4.214 1.00 21.25 H new ATOM 0 HB2 ALA A 27 4.614 -7.931 -3.938 1.00 21.25 H new ATOM 0 HB3 ALA A 27 3.152 -8.152 -4.928 1.00 21.25 H new ATOM 387 N TRP A 28 1.122 -6.261 -2.737 1.00 43.32 N ATOM 388 CA TRP A 28 -0.217 -5.687 -2.823 1.00 64.32 C ATOM 389 C TRP A 28 -0.408 -4.947 -4.141 1.00 54.21 C ATOM 390 O TRP A 28 0.385 -4.075 -4.496 1.00 14.53 O ATOM 391 CB TRP A 28 -0.463 -4.737 -1.649 1.00 42.14 C ATOM 392 CG TRP A 28 -0.874 -5.441 -0.392 1.00 22.44 C ATOM 393 CD1 TRP A 28 -0.139 -5.577 0.750 1.00 50.43 C ATOM 394 CD2 TRP A 28 -2.120 -6.106 -0.150 1.00 15.43 C ATOM 395 NE1 TRP A 28 -0.851 -6.287 1.687 1.00 40.22 N ATOM 396 CE2 TRP A 28 -2.070 -6.621 1.159 1.00 43.21 C ATOM 397 CE3 TRP A 28 -3.273 -6.313 -0.911 1.00 54.13 C ATOM 398 CZ2 TRP A 28 -3.127 -7.331 1.721 1.00 33.43 C ATOM 399 CZ3 TRP A 28 -4.322 -7.018 -0.354 1.00 5.32 C ATOM 400 CH2 TRP A 28 -4.244 -7.519 0.952 1.00 24.43 C ATOM 0 H TRP A 28 1.856 -5.588 -2.515 1.00 43.32 H new ATOM 0 HA TRP A 28 -0.939 -6.502 -2.779 1.00 64.32 H new ATOM 0 HB2 TRP A 28 0.445 -4.166 -1.457 1.00 42.14 H new ATOM 0 HB3 TRP A 28 -1.237 -4.021 -1.926 1.00 42.14 H new ATOM 0 HD1 TRP A 28 0.856 -5.184 0.896 1.00 50.43 H new ATOM 0 HE1 TRP A 28 -0.525 -6.526 2.623 1.00 40.22 H new ATOM 0 HE3 TRP A 28 -3.343 -5.928 -1.918 1.00 54.13 H new ATOM 0 HZ2 TRP A 28 -3.068 -7.719 2.727 1.00 33.43 H new ATOM 0 HZ3 TRP A 28 -5.217 -7.186 -0.935 1.00 5.32 H new ATOM 0 HH2 TRP A 28 -5.082 -8.065 1.360 1.00 24.43 H new ATOM 411 N VAL A 29 -1.466 -5.300 -4.865 1.00 34.25 N ATOM 412 CA VAL A 29 -1.763 -4.668 -6.145 1.00 40.53 C ATOM 413 C VAL A 29 -3.140 -4.014 -6.129 1.00 31.40 C ATOM 414 O VAL A 29 -4.125 -4.628 -5.717 1.00 42.12 O ATOM 415 CB VAL A 29 -1.702 -5.684 -7.301 1.00 24.13 C ATOM 416 CG1 VAL A 29 -0.258 -6.033 -7.630 1.00 4.23 C ATOM 417 CG2 VAL A 29 -2.495 -6.934 -6.952 1.00 33.53 C ATOM 0 H VAL A 29 -2.132 -6.021 -4.586 1.00 34.25 H new ATOM 0 HA VAL A 29 -1.003 -3.903 -6.304 1.00 40.53 H new ATOM 0 HB VAL A 29 -2.151 -5.231 -8.185 1.00 24.13 H new ATOM 0 HG11 VAL A 29 -0.235 -6.752 -8.449 1.00 4.23 H new ATOM 0 HG12 VAL A 29 0.276 -5.130 -7.925 1.00 4.23 H new ATOM 0 HG13 VAL A 29 0.220 -6.467 -6.752 1.00 4.23 H new ATOM 0 HG21 VAL A 29 -2.442 -7.642 -7.779 1.00 33.53 H new ATOM 0 HG22 VAL A 29 -2.077 -7.392 -6.056 1.00 33.53 H new ATOM 0 HG23 VAL A 29 -3.536 -6.666 -6.771 1.00 33.53 H new ATOM 427 N ARG A 30 -3.202 -2.766 -6.580 1.00 13.10 N ATOM 428 CA ARG A 30 -4.458 -2.028 -6.617 1.00 35.22 C ATOM 429 C ARG A 30 -5.042 -2.019 -8.027 1.00 10.33 C ATOM 430 O ARG A 30 -4.316 -1.865 -9.011 1.00 24.24 O ATOM 431 CB ARG A 30 -4.247 -0.593 -6.133 1.00 2.23 C ATOM 432 CG ARG A 30 -5.524 0.231 -6.089 1.00 60.11 C ATOM 433 CD ARG A 30 -5.394 1.505 -6.910 1.00 64.44 C ATOM 434 NE ARG A 30 -5.114 1.224 -8.315 1.00 70.25 N ATOM 435 CZ ARG A 30 -4.578 2.109 -9.149 1.00 73.24 C ATOM 436 NH1 ARG A 30 -4.267 3.324 -8.720 1.00 51.33 N ATOM 437 NH2 ARG A 30 -4.353 1.779 -10.414 1.00 32.13 N ATOM 0 H ARG A 30 -2.396 -2.244 -6.925 1.00 13.10 H new ATOM 0 HA ARG A 30 -5.163 -2.528 -5.953 1.00 35.22 H new ATOM 0 HB2 ARG A 30 -3.806 -0.616 -5.137 1.00 2.23 H new ATOM 0 HB3 ARG A 30 -3.529 -0.100 -6.788 1.00 2.23 H new ATOM 0 HG2 ARG A 30 -6.355 -0.364 -6.468 1.00 60.11 H new ATOM 0 HG3 ARG A 30 -5.759 0.485 -5.055 1.00 60.11 H new ATOM 0 HD2 ARG A 30 -6.316 2.082 -6.832 1.00 64.44 H new ATOM 0 HD3 ARG A 30 -4.596 2.122 -6.498 1.00 64.44 H new ATOM 0 HE ARG A 30 -5.342 0.298 -8.676 1.00 70.25 H new ATOM 0 HH11 ARG A 30 -4.439 3.581 -7.748 1.00 51.33 H new ATOM 0 HH12 ARG A 30 -3.856 4.002 -9.362 1.00 51.33 H new ATOM 0 HH21 ARG A 30 -4.591 0.845 -10.748 1.00 32.13 H new ATOM 0 HH22 ARG A 30 -3.942 2.459 -11.053 1.00 32.13 H new ATOM 451 N CYS A 31 -6.358 -2.185 -8.118 1.00 54.53 N ATOM 452 CA CYS A 31 -7.039 -2.197 -9.407 1.00 24.42 C ATOM 453 C CYS A 31 -7.209 -0.780 -9.947 1.00 2.21 C ATOM 454 O CYS A 31 -7.559 0.139 -9.207 1.00 1.45 O ATOM 455 CB CYS A 31 -8.407 -2.872 -9.277 1.00 52.45 C ATOM 456 SG CYS A 31 -9.285 -3.081 -10.860 1.00 62.33 S ATOM 0 H CYS A 31 -6.973 -2.313 -7.315 1.00 54.53 H new ATOM 0 HA CYS A 31 -6.426 -2.763 -10.109 1.00 24.42 H new ATOM 0 HB2 CYS A 31 -8.275 -3.850 -8.815 1.00 52.45 H new ATOM 0 HB3 CYS A 31 -9.029 -2.282 -8.604 1.00 52.45 H new ATOM 0 HG CYS A 31 -9.931 -4.209 -10.852 1.00 62.33 H new ATOM 461 N ASP A 32 -6.957 -0.612 -11.239 1.00 55.30 N ATOM 462 CA ASP A 32 -7.083 0.693 -11.879 1.00 50.01 C ATOM 463 C ASP A 32 -8.444 0.840 -12.551 1.00 2.12 C ATOM 464 O ASP A 32 -8.558 1.437 -13.622 1.00 32.31 O ATOM 465 CB ASP A 32 -5.969 0.890 -12.909 1.00 62.22 C ATOM 466 CG ASP A 32 -5.597 2.348 -13.089 1.00 20.00 C ATOM 467 OD1 ASP A 32 -6.236 3.207 -12.446 1.00 70.50 O ATOM 468 OD2 ASP A 32 -4.666 2.631 -13.873 1.00 24.04 O ATOM 0 H ASP A 32 -6.664 -1.362 -11.865 1.00 55.30 H new ATOM 0 HA ASP A 32 -6.994 1.458 -11.107 1.00 50.01 H new ATOM 0 HB2 ASP A 32 -5.088 0.329 -12.598 1.00 62.22 H new ATOM 0 HB3 ASP A 32 -6.287 0.478 -13.867 1.00 62.22 H new ATOM 473 N ASP A 33 -9.474 0.292 -11.916 1.00 62.24 N ATOM 474 CA ASP A 33 -10.828 0.362 -12.451 1.00 63.21 C ATOM 475 C ASP A 33 -11.853 0.470 -11.326 1.00 72.14 C ATOM 476 O ASP A 33 -12.796 1.257 -11.404 1.00 55.41 O ATOM 477 CB ASP A 33 -11.124 -0.868 -13.311 1.00 11.23 C ATOM 478 CG ASP A 33 -12.080 -0.564 -14.447 1.00 21.02 C ATOM 479 OD1 ASP A 33 -11.791 0.362 -15.234 1.00 23.13 O ATOM 480 OD2 ASP A 33 -13.119 -1.251 -14.550 1.00 25.11 O ATOM 0 H ASP A 33 -9.397 -0.206 -11.029 1.00 62.24 H new ATOM 0 HA ASP A 33 -10.901 1.255 -13.071 1.00 63.21 H new ATOM 0 HB2 ASP A 33 -10.191 -1.255 -13.719 1.00 11.23 H new ATOM 0 HB3 ASP A 33 -11.547 -1.653 -12.684 1.00 11.23 H new ATOM 485 N CYS A 34 -11.661 -0.328 -10.281 1.00 23.14 N ATOM 486 CA CYS A 34 -12.569 -0.324 -9.139 1.00 74.12 C ATOM 487 C CYS A 34 -11.845 0.114 -7.869 1.00 70.12 C ATOM 488 O CYS A 34 -12.474 0.423 -6.858 1.00 13.42 O ATOM 489 CB CYS A 34 -13.177 -1.714 -8.940 1.00 43.24 C ATOM 490 SG CYS A 34 -11.979 -2.979 -8.406 1.00 4.44 S ATOM 0 H CYS A 34 -10.885 -0.986 -10.201 1.00 23.14 H new ATOM 0 HA CYS A 34 -13.368 0.389 -9.344 1.00 74.12 H new ATOM 0 HB2 CYS A 34 -13.974 -1.648 -8.199 1.00 43.24 H new ATOM 0 HB3 CYS A 34 -13.636 -2.035 -9.875 1.00 43.24 H new ATOM 0 HG CYS A 34 -11.048 -3.102 -9.305 1.00 4.44 H new ATOM 495 N PHE A 35 -10.518 0.137 -7.930 1.00 52.23 N ATOM 496 CA PHE A 35 -9.706 0.536 -6.786 1.00 61.13 C ATOM 497 C PHE A 35 -9.896 -0.431 -5.621 1.00 74.31 C ATOM 498 O PHE A 35 -10.615 -0.137 -4.665 1.00 71.22 O ATOM 499 CB PHE A 35 -10.068 1.957 -6.349 1.00 20.02 C ATOM 500 CG PHE A 35 -10.100 2.943 -7.481 1.00 3.23 C ATOM 501 CD1 PHE A 35 -8.933 3.304 -8.136 1.00 71.33 C ATOM 502 CD2 PHE A 35 -11.297 3.509 -7.890 1.00 43.25 C ATOM 503 CE1 PHE A 35 -8.959 4.211 -9.179 1.00 24.21 C ATOM 504 CE2 PHE A 35 -11.328 4.416 -8.933 1.00 24.01 C ATOM 505 CZ PHE A 35 -10.159 4.769 -9.577 1.00 45.21 C ATOM 0 H PHE A 35 -9.982 -0.116 -8.760 1.00 52.23 H new ATOM 0 HA PHE A 35 -8.659 0.512 -7.088 1.00 61.13 H new ATOM 0 HB2 PHE A 35 -11.044 1.942 -5.864 1.00 20.02 H new ATOM 0 HB3 PHE A 35 -9.347 2.294 -5.604 1.00 20.02 H new ATOM 0 HD1 PHE A 35 -7.992 2.872 -7.828 1.00 71.33 H new ATOM 0 HD2 PHE A 35 -12.215 3.239 -7.389 1.00 43.25 H new ATOM 0 HE1 PHE A 35 -8.043 4.483 -9.682 1.00 24.21 H new ATOM 0 HE2 PHE A 35 -12.267 4.849 -9.244 1.00 24.01 H new ATOM 0 HZ PHE A 35 -10.182 5.480 -10.390 1.00 45.21 H new ATOM 515 N LYS A 36 -9.248 -1.588 -5.708 1.00 13.42 N ATOM 516 CA LYS A 36 -9.343 -2.599 -4.662 1.00 74.04 C ATOM 517 C LYS A 36 -7.981 -3.228 -4.388 1.00 60.04 C ATOM 518 O LYS A 36 -7.167 -3.390 -5.298 1.00 4.30 O ATOM 519 CB LYS A 36 -10.345 -3.684 -5.064 1.00 60.41 C ATOM 520 CG LYS A 36 -10.661 -4.664 -3.947 1.00 74.20 C ATOM 521 CD LYS A 36 -9.778 -5.898 -4.021 1.00 53.44 C ATOM 522 CE LYS A 36 -10.135 -6.769 -5.217 1.00 3.54 C ATOM 523 NZ LYS A 36 -10.114 -8.217 -4.873 1.00 43.10 N ATOM 0 H LYS A 36 -8.651 -1.849 -6.493 1.00 13.42 H new ATOM 0 HA LYS A 36 -9.689 -2.112 -3.750 1.00 74.04 H new ATOM 0 HB2 LYS A 36 -11.270 -3.209 -5.392 1.00 60.41 H new ATOM 0 HB3 LYS A 36 -9.949 -4.234 -5.918 1.00 60.41 H new ATOM 0 HG2 LYS A 36 -10.524 -4.175 -2.983 1.00 74.20 H new ATOM 0 HG3 LYS A 36 -11.708 -4.961 -4.008 1.00 74.20 H new ATOM 0 HD2 LYS A 36 -8.733 -5.595 -4.089 1.00 53.44 H new ATOM 0 HD3 LYS A 36 -9.883 -6.477 -3.104 1.00 53.44 H new ATOM 0 HE2 LYS A 36 -11.125 -6.497 -5.582 1.00 3.54 H new ATOM 0 HE3 LYS A 36 -9.432 -6.578 -6.028 1.00 3.54 H new ATOM 0 HZ1 LYS A 36 -9.710 -8.756 -5.665 1.00 43.10 H new ATOM 0 HZ2 LYS A 36 -9.533 -8.363 -4.023 1.00 43.10 H new ATOM 0 HZ3 LYS A 36 -11.084 -8.545 -4.690 1.00 43.10 H new ATOM 537 N TRP A 37 -7.740 -3.581 -3.130 1.00 74.32 N ATOM 538 CA TRP A 37 -6.476 -4.194 -2.738 1.00 25.15 C ATOM 539 C TRP A 37 -6.499 -5.697 -2.988 1.00 24.31 C ATOM 540 O TRP A 37 -7.376 -6.406 -2.491 1.00 2.33 O ATOM 541 CB TRP A 37 -6.188 -3.914 -1.262 1.00 24.15 C ATOM 542 CG TRP A 37 -5.465 -2.622 -1.032 1.00 2.43 C ATOM 543 CD1 TRP A 37 -5.814 -1.631 -0.158 1.00 52.15 C ATOM 544 CD2 TRP A 37 -4.273 -2.178 -1.689 1.00 44.01 C ATOM 545 NE1 TRP A 37 -4.909 -0.600 -0.232 1.00 10.44 N ATOM 546 CE2 TRP A 37 -3.954 -0.911 -1.162 1.00 42.34 C ATOM 547 CE3 TRP A 37 -3.441 -2.729 -2.668 1.00 23.24 C ATOM 548 CZ2 TRP A 37 -2.841 -0.189 -1.585 1.00 1.33 C ATOM 549 CZ3 TRP A 37 -2.338 -2.011 -3.086 1.00 65.02 C ATOM 550 CH2 TRP A 37 -2.044 -0.752 -2.544 1.00 22.51 C ATOM 0 H TRP A 37 -8.402 -3.453 -2.365 1.00 74.32 H new ATOM 0 HA TRP A 37 -5.684 -3.757 -3.346 1.00 25.15 H new ATOM 0 HB2 TRP A 37 -7.129 -3.898 -0.712 1.00 24.15 H new ATOM 0 HB3 TRP A 37 -5.594 -4.732 -0.854 1.00 24.15 H new ATOM 0 HD1 TRP A 37 -6.674 -1.655 0.495 1.00 52.15 H new ATOM 0 HE1 TRP A 37 -4.943 0.259 0.317 1.00 10.44 H new ATOM 0 HE3 TRP A 37 -3.657 -3.699 -3.090 1.00 23.24 H new ATOM 0 HZ2 TRP A 37 -2.615 0.782 -1.170 1.00 1.33 H new ATOM 0 HZ3 TRP A 37 -1.690 -2.427 -3.844 1.00 65.02 H new ATOM 0 HH2 TRP A 37 -1.172 -0.217 -2.890 1.00 22.51 H new ATOM 561 N ARG A 38 -5.530 -6.179 -3.759 1.00 23.23 N ATOM 562 CA ARG A 38 -5.441 -7.600 -4.076 1.00 23.24 C ATOM 563 C ARG A 38 -4.070 -8.155 -3.700 1.00 23.41 C ATOM 564 O ARG A 38 -3.041 -7.656 -4.155 1.00 15.42 O ATOM 565 CB ARG A 38 -5.706 -7.830 -5.564 1.00 3.11 C ATOM 566 CG ARG A 38 -6.686 -8.960 -5.841 1.00 1.32 C ATOM 567 CD ARG A 38 -5.967 -10.286 -6.034 1.00 1.34 C ATOM 568 NE ARG A 38 -6.797 -11.421 -5.641 1.00 15.43 N ATOM 569 CZ ARG A 38 -6.309 -12.616 -5.333 1.00 61.42 C ATOM 570 NH1 ARG A 38 -5.001 -12.832 -5.370 1.00 33.32 N ATOM 571 NH2 ARG A 38 -7.129 -13.600 -4.985 1.00 71.21 N ATOM 0 H ARG A 38 -4.796 -5.607 -4.176 1.00 23.23 H new ATOM 0 HA ARG A 38 -6.199 -8.125 -3.494 1.00 23.24 H new ATOM 0 HB2 ARG A 38 -6.092 -6.910 -6.002 1.00 3.11 H new ATOM 0 HB3 ARG A 38 -4.762 -8.049 -6.063 1.00 3.11 H new ATOM 0 HG2 ARG A 38 -7.390 -9.044 -5.013 1.00 1.32 H new ATOM 0 HG3 ARG A 38 -7.269 -8.728 -6.732 1.00 1.32 H new ATOM 0 HD2 ARG A 38 -5.678 -10.393 -7.080 1.00 1.34 H new ATOM 0 HD3 ARG A 38 -5.048 -10.289 -5.448 1.00 1.34 H new ATOM 0 HE ARG A 38 -7.808 -11.288 -5.601 1.00 15.43 H new ATOM 0 HH11 ARG A 38 -4.367 -12.078 -5.636 1.00 33.32 H new ATOM 0 HH12 ARG A 38 -4.629 -13.752 -5.133 1.00 33.32 H new ATOM 0 HH21 ARG A 38 -8.136 -13.438 -4.954 1.00 71.21 H new ATOM 0 HH22 ARG A 38 -6.753 -14.518 -4.749 1.00 71.21 H new ATOM 585 N ARG A 39 -4.064 -9.190 -2.866 1.00 33.35 N ATOM 586 CA ARG A 39 -2.821 -9.811 -2.428 1.00 62.23 C ATOM 587 C ARG A 39 -2.375 -10.889 -3.413 1.00 2.52 C ATOM 588 O ARG A 39 -3.053 -11.902 -3.589 1.00 11.24 O ATOM 589 CB ARG A 39 -2.992 -10.419 -1.035 1.00 34.21 C ATOM 590 CG ARG A 39 -1.695 -10.519 -0.249 1.00 32.02 C ATOM 591 CD ARG A 39 -1.600 -11.835 0.505 1.00 52.23 C ATOM 592 NE ARG A 39 -0.906 -11.686 1.782 1.00 12.11 N ATOM 593 CZ ARG A 39 -0.493 -12.711 2.518 1.00 44.23 C ATOM 594 NH1 ARG A 39 -0.700 -13.953 2.106 1.00 31.41 N ATOM 595 NH2 ARG A 39 0.132 -12.494 3.669 1.00 33.11 N ATOM 0 H ARG A 39 -4.907 -9.616 -2.480 1.00 33.35 H new ATOM 0 HA ARG A 39 -2.053 -9.038 -2.388 1.00 62.23 H new ATOM 0 HB2 ARG A 39 -3.703 -9.817 -0.470 1.00 34.21 H new ATOM 0 HB3 ARG A 39 -3.425 -11.415 -1.133 1.00 34.21 H new ATOM 0 HG2 ARG A 39 -0.848 -10.426 -0.929 1.00 32.02 H new ATOM 0 HG3 ARG A 39 -1.630 -9.690 0.455 1.00 32.02 H new ATOM 0 HD2 ARG A 39 -2.602 -12.225 0.681 1.00 52.23 H new ATOM 0 HD3 ARG A 39 -1.076 -12.567 -0.109 1.00 52.23 H new ATOM 0 HE ARG A 39 -0.729 -10.743 2.127 1.00 12.11 H new ATOM 0 HH11 ARG A 39 -1.178 -14.124 1.221 1.00 31.41 H new ATOM 0 HH12 ARG A 39 -0.382 -14.738 2.674 1.00 31.41 H new ATOM 0 HH21 ARG A 39 0.295 -11.539 3.989 1.00 33.11 H new ATOM 0 HH22 ARG A 39 0.449 -13.282 4.234 1.00 33.11 H new ATOM 609 N ILE A 40 -1.232 -10.662 -4.052 1.00 21.03 N ATOM 610 CA ILE A 40 -0.696 -11.613 -5.018 1.00 32.42 C ATOM 611 C ILE A 40 0.692 -12.090 -4.608 1.00 44.44 C ATOM 612 O ILE A 40 1.437 -11.392 -3.920 1.00 50.43 O ATOM 613 CB ILE A 40 -0.620 -11.000 -6.429 1.00 15.21 C ATOM 614 CG1 ILE A 40 0.538 -10.003 -6.514 1.00 64.40 C ATOM 615 CG2 ILE A 40 -1.936 -10.322 -6.784 1.00 50.34 C ATOM 616 CD1 ILE A 40 0.604 -9.263 -7.831 1.00 60.43 C ATOM 0 H ILE A 40 -0.660 -9.828 -3.918 1.00 21.03 H new ATOM 0 HA ILE A 40 -1.379 -12.463 -5.036 1.00 32.42 H new ATOM 0 HB ILE A 40 -0.440 -11.800 -7.147 1.00 15.21 H new ATOM 0 HG12 ILE A 40 0.444 -9.279 -5.704 1.00 64.40 H new ATOM 0 HG13 ILE A 40 1.477 -10.535 -6.358 1.00 64.40 H new ATOM 0 HG21 ILE A 40 -1.867 -9.894 -7.784 1.00 50.34 H new ATOM 0 HG22 ILE A 40 -2.742 -11.056 -6.759 1.00 50.34 H new ATOM 0 HG23 ILE A 40 -2.143 -9.530 -6.064 1.00 50.34 H new ATOM 0 HD11 ILE A 40 1.449 -8.574 -7.819 1.00 60.43 H new ATOM 0 HD12 ILE A 40 0.730 -9.978 -8.644 1.00 60.43 H new ATOM 0 HD13 ILE A 40 -0.319 -8.703 -7.980 1.00 60.43 H new ATOM 628 N PRO A 41 1.051 -13.308 -5.040 1.00 4.40 N ATOM 629 CA PRO A 41 2.354 -13.906 -4.731 1.00 32.21 C ATOM 630 C PRO A 41 3.498 -13.204 -5.454 1.00 45.33 C ATOM 631 O PRO A 41 3.298 -12.584 -6.497 1.00 51.55 O ATOM 632 CB PRO A 41 2.210 -15.346 -5.229 1.00 5.23 C ATOM 633 CG PRO A 41 1.165 -15.279 -6.288 1.00 41.34 C ATOM 634 CD PRO A 41 0.214 -14.196 -5.863 1.00 21.43 C ATOM 0 HA PRO A 41 2.598 -13.830 -3.671 1.00 32.21 H new ATOM 0 HB2 PRO A 41 3.152 -15.723 -5.626 1.00 5.23 H new ATOM 0 HB3 PRO A 41 1.913 -16.016 -4.422 1.00 5.23 H new ATOM 0 HG2 PRO A 41 1.607 -15.052 -7.258 1.00 41.34 H new ATOM 0 HG3 PRO A 41 0.649 -16.234 -6.388 1.00 41.34 H new ATOM 0 HD2 PRO A 41 -0.206 -13.671 -6.721 1.00 21.43 H new ATOM 0 HD3 PRO A 41 -0.624 -14.598 -5.294 1.00 21.43 H new ATOM 642 N ALA A 42 4.699 -13.308 -4.892 1.00 73.22 N ATOM 643 CA ALA A 42 5.876 -12.686 -5.485 1.00 74.24 C ATOM 644 C ALA A 42 6.223 -13.331 -6.823 1.00 71.11 C ATOM 645 O ALA A 42 7.028 -12.802 -7.588 1.00 14.44 O ATOM 646 CB ALA A 42 7.058 -12.777 -4.531 1.00 41.43 C ATOM 0 H ALA A 42 4.881 -13.817 -4.027 1.00 73.22 H new ATOM 0 HA ALA A 42 5.649 -11.635 -5.666 1.00 74.24 H new ATOM 0 HB1 ALA A 42 7.930 -12.309 -4.987 1.00 41.43 H new ATOM 0 HB2 ALA A 42 6.815 -12.264 -3.601 1.00 41.43 H new ATOM 0 HB3 ALA A 42 7.277 -13.824 -4.321 1.00 41.43 H new ATOM 652 N SER A 43 5.611 -14.479 -7.097 1.00 12.20 N ATOM 653 CA SER A 43 5.859 -15.199 -8.342 1.00 45.42 C ATOM 654 C SER A 43 5.132 -14.536 -9.507 1.00 1.35 C ATOM 655 O SER A 43 5.653 -14.465 -10.620 1.00 12.31 O ATOM 656 CB SER A 43 5.413 -16.656 -8.209 1.00 75.32 C ATOM 657 OG SER A 43 6.468 -17.544 -8.538 1.00 1.04 O ATOM 0 H SER A 43 4.941 -14.930 -6.475 1.00 12.20 H new ATOM 0 HA SER A 43 6.930 -15.171 -8.543 1.00 45.42 H new ATOM 0 HB2 SER A 43 5.078 -16.846 -7.189 1.00 75.32 H new ATOM 0 HB3 SER A 43 4.561 -16.840 -8.863 1.00 75.32 H new ATOM 0 HG SER A 43 6.158 -18.469 -8.444 1.00 1.04 H new ATOM 663 N VAL A 44 3.922 -14.052 -9.243 1.00 30.52 N ATOM 664 CA VAL A 44 3.121 -13.393 -10.269 1.00 64.13 C ATOM 665 C VAL A 44 3.351 -11.886 -10.262 1.00 23.22 C ATOM 666 O VAL A 44 3.207 -11.221 -11.287 1.00 54.03 O ATOM 667 CB VAL A 44 1.620 -13.674 -10.074 1.00 34.45 C ATOM 668 CG1 VAL A 44 1.088 -12.923 -8.863 1.00 40.25 C ATOM 669 CG2 VAL A 44 0.841 -13.301 -11.327 1.00 43.11 C ATOM 0 H VAL A 44 3.475 -14.104 -8.328 1.00 30.52 H new ATOM 0 HA VAL A 44 3.438 -13.801 -11.229 1.00 64.13 H new ATOM 0 HB VAL A 44 1.489 -14.741 -9.896 1.00 34.45 H new ATOM 0 HG11 VAL A 44 0.026 -13.134 -8.742 1.00 40.25 H new ATOM 0 HG12 VAL A 44 1.626 -13.244 -7.971 1.00 40.25 H new ATOM 0 HG13 VAL A 44 1.231 -11.852 -9.007 1.00 40.25 H new ATOM 0 HG21 VAL A 44 -0.218 -13.506 -11.171 1.00 43.11 H new ATOM 0 HG22 VAL A 44 0.978 -12.241 -11.538 1.00 43.11 H new ATOM 0 HG23 VAL A 44 1.204 -13.889 -12.170 1.00 43.11 H new ATOM 679 N VAL A 45 3.708 -11.353 -9.097 1.00 41.12 N ATOM 680 CA VAL A 45 3.959 -9.924 -8.956 1.00 54.11 C ATOM 681 C VAL A 45 4.997 -9.447 -9.965 1.00 13.43 C ATOM 682 O VAL A 45 5.020 -8.274 -10.340 1.00 71.25 O ATOM 683 CB VAL A 45 4.443 -9.577 -7.536 1.00 22.20 C ATOM 684 CG1 VAL A 45 5.945 -9.786 -7.417 1.00 62.03 C ATOM 685 CG2 VAL A 45 4.066 -8.147 -7.179 1.00 72.31 C ATOM 0 H VAL A 45 3.830 -11.890 -8.238 1.00 41.12 H new ATOM 0 HA VAL A 45 3.013 -9.416 -9.144 1.00 54.11 H new ATOM 0 HB VAL A 45 3.950 -10.246 -6.830 1.00 22.20 H new ATOM 0 HG11 VAL A 45 6.268 -9.536 -6.407 1.00 62.03 H new ATOM 0 HG12 VAL A 45 6.185 -10.828 -7.627 1.00 62.03 H new ATOM 0 HG13 VAL A 45 6.459 -9.144 -8.132 1.00 62.03 H new ATOM 0 HG21 VAL A 45 4.416 -7.919 -6.172 1.00 72.31 H new ATOM 0 HG22 VAL A 45 4.529 -7.461 -7.888 1.00 72.31 H new ATOM 0 HG23 VAL A 45 2.983 -8.035 -7.221 1.00 72.31 H new ATOM 695 N GLY A 46 5.856 -10.362 -10.403 1.00 21.40 N ATOM 696 CA GLY A 46 6.884 -10.016 -11.365 1.00 54.24 C ATOM 697 C GLY A 46 6.504 -10.398 -12.783 1.00 52.32 C ATOM 698 O GLY A 46 7.369 -10.535 -13.648 1.00 13.21 O ATOM 0 H GLY A 46 5.858 -11.338 -10.108 1.00 21.40 H new ATOM 0 HA2 GLY A 46 7.074 -8.944 -11.319 1.00 54.24 H new ATOM 0 HA3 GLY A 46 7.814 -10.516 -11.094 1.00 54.24 H new ATOM 702 N SER A 47 5.209 -10.573 -13.020 1.00 13.44 N ATOM 703 CA SER A 47 4.717 -10.946 -14.341 1.00 14.12 C ATOM 704 C SER A 47 3.496 -10.114 -14.722 1.00 54.42 C ATOM 705 O SER A 47 3.371 -9.662 -15.861 1.00 3.42 O ATOM 706 CB SER A 47 4.364 -12.435 -14.374 1.00 13.12 C ATOM 707 OG SER A 47 4.148 -12.878 -15.703 1.00 10.33 O ATOM 0 H SER A 47 4.481 -10.463 -12.314 1.00 13.44 H new ATOM 0 HA SER A 47 5.508 -10.750 -15.065 1.00 14.12 H new ATOM 0 HB2 SER A 47 5.169 -13.013 -13.921 1.00 13.12 H new ATOM 0 HB3 SER A 47 3.469 -12.613 -13.778 1.00 13.12 H new ATOM 0 HG SER A 47 3.926 -13.832 -15.698 1.00 10.33 H new ATOM 713 N ILE A 48 2.599 -9.917 -13.762 1.00 53.50 N ATOM 714 CA ILE A 48 1.390 -9.137 -13.996 1.00 71.13 C ATOM 715 C ILE A 48 1.722 -7.676 -14.277 1.00 10.43 C ATOM 716 O ILE A 48 0.977 -6.980 -14.967 1.00 44.14 O ATOM 717 CB ILE A 48 0.431 -9.212 -12.793 1.00 60.54 C ATOM 718 CG1 ILE A 48 1.169 -8.859 -11.501 1.00 45.21 C ATOM 719 CG2 ILE A 48 -0.186 -10.599 -12.694 1.00 33.41 C ATOM 720 CD1 ILE A 48 0.598 -7.652 -10.789 1.00 23.30 C ATOM 0 H ILE A 48 2.686 -10.286 -12.815 1.00 53.50 H new ATOM 0 HA ILE A 48 0.901 -9.569 -14.869 1.00 71.13 H new ATOM 0 HB ILE A 48 -0.370 -8.488 -12.941 1.00 60.54 H new ATOM 0 HG12 ILE A 48 1.137 -9.716 -10.828 1.00 45.21 H new ATOM 0 HG13 ILE A 48 2.218 -8.673 -11.731 1.00 45.21 H new ATOM 0 HG21 ILE A 48 -0.861 -10.637 -11.839 1.00 33.41 H new ATOM 0 HG22 ILE A 48 -0.742 -10.816 -13.606 1.00 33.41 H new ATOM 0 HG23 ILE A 48 0.603 -11.340 -12.566 1.00 33.41 H new ATOM 0 HD11 ILE A 48 1.171 -7.460 -9.882 1.00 23.30 H new ATOM 0 HD12 ILE A 48 0.654 -6.783 -11.444 1.00 23.30 H new ATOM 0 HD13 ILE A 48 -0.443 -7.842 -10.528 1.00 23.30 H new ATOM 805 N TRP A 54 -2.656 -2.210 -13.158 1.00 22.42 N ATOM 806 CA TRP A 54 -3.101 -3.581 -12.927 1.00 4.40 C ATOM 807 C TRP A 54 -4.587 -3.620 -12.589 1.00 71.42 C ATOM 808 O TRP A 54 -5.117 -2.697 -11.969 1.00 63.44 O ATOM 809 CB TRP A 54 -2.291 -4.217 -11.795 1.00 33.44 C ATOM 810 CG TRP A 54 -2.747 -5.602 -11.446 1.00 11.44 C ATOM 811 CD1 TRP A 54 -2.253 -6.776 -11.939 1.00 22.01 C ATOM 812 CD2 TRP A 54 -3.788 -5.955 -10.529 1.00 70.44 C ATOM 813 NE1 TRP A 54 -2.925 -7.837 -11.383 1.00 71.53 N ATOM 814 CE2 TRP A 54 -3.871 -7.362 -10.515 1.00 1.34 C ATOM 815 CE3 TRP A 54 -4.657 -5.222 -9.717 1.00 13.12 C ATOM 816 CZ2 TRP A 54 -4.789 -8.044 -9.722 1.00 64.35 C ATOM 817 CZ3 TRP A 54 -5.568 -5.901 -8.931 1.00 72.24 C ATOM 818 CH2 TRP A 54 -5.628 -7.301 -8.937 1.00 4.31 C ATOM 0 HA TRP A 54 -2.941 -4.149 -13.843 1.00 4.40 H new ATOM 0 HB2 TRP A 54 -1.240 -4.250 -12.083 1.00 33.44 H new ATOM 0 HB3 TRP A 54 -2.359 -3.585 -10.909 1.00 33.44 H new ATOM 0 HD1 TRP A 54 -1.453 -6.858 -12.659 1.00 22.01 H new ATOM 0 HE1 TRP A 54 -2.748 -8.821 -11.585 1.00 71.53 H new ATOM 0 HE3 TRP A 54 -4.617 -4.143 -9.704 1.00 13.12 H new ATOM 0 HZ2 TRP A 54 -4.838 -9.123 -9.726 1.00 64.35 H new ATOM 0 HZ3 TRP A 54 -6.245 -5.343 -8.301 1.00 72.24 H new ATOM 0 HH2 TRP A 54 -6.350 -7.803 -8.310 1.00 4.31 H new ATOM 829 N ILE A 55 -5.255 -4.693 -13.001 1.00 50.43 N ATOM 830 CA ILE A 55 -6.679 -4.852 -12.741 1.00 24.44 C ATOM 831 C ILE A 55 -6.991 -6.254 -12.227 1.00 32.22 C ATOM 832 O ILE A 55 -6.151 -7.152 -12.291 1.00 1.12 O ATOM 833 CB ILE A 55 -7.517 -4.583 -14.005 1.00 1.24 C ATOM 834 CG1 ILE A 55 -6.864 -5.239 -15.224 1.00 1.35 C ATOM 835 CG2 ILE A 55 -7.679 -3.086 -14.224 1.00 52.23 C ATOM 836 CD1 ILE A 55 -7.584 -4.950 -16.522 1.00 74.31 C ATOM 0 H ILE A 55 -4.832 -5.465 -13.516 1.00 50.43 H new ATOM 0 HA ILE A 55 -6.943 -4.120 -11.978 1.00 24.44 H new ATOM 0 HB ILE A 55 -8.507 -5.019 -13.868 1.00 1.24 H new ATOM 0 HG12 ILE A 55 -5.833 -4.893 -15.304 1.00 1.35 H new ATOM 0 HG13 ILE A 55 -6.827 -6.317 -15.070 1.00 1.35 H new ATOM 0 HG21 ILE A 55 -8.273 -2.912 -15.121 1.00 52.23 H new ATOM 0 HG22 ILE A 55 -8.182 -2.645 -13.364 1.00 52.23 H new ATOM 0 HG23 ILE A 55 -6.697 -2.628 -14.345 1.00 52.23 H new ATOM 0 HD11 ILE A 55 -7.067 -5.446 -17.343 1.00 74.31 H new ATOM 0 HD12 ILE A 55 -8.607 -5.321 -16.461 1.00 74.31 H new ATOM 0 HD13 ILE A 55 -7.598 -3.875 -16.699 1.00 74.31 H new ATOM 848 N CYS A 56 -8.206 -6.435 -11.719 1.00 20.52 N ATOM 849 CA CYS A 56 -8.631 -7.728 -11.196 1.00 32.23 C ATOM 850 C CYS A 56 -8.556 -8.803 -12.276 1.00 60.51 C ATOM 851 O CYS A 56 -7.971 -9.866 -12.068 1.00 54.03 O ATOM 852 CB CYS A 56 -10.057 -7.636 -10.649 1.00 72.44 C ATOM 853 SG CYS A 56 -10.309 -6.289 -9.451 1.00 4.43 S ATOM 0 H CYS A 56 -8.913 -5.703 -11.659 1.00 20.52 H new ATOM 0 HA CYS A 56 -7.956 -8.005 -10.386 1.00 32.23 H new ATOM 0 HB2 CYS A 56 -10.746 -7.500 -11.482 1.00 72.44 H new ATOM 0 HB3 CYS A 56 -10.314 -8.583 -10.174 1.00 72.44 H new ATOM 0 HG CYS A 56 -11.157 -5.431 -9.935 1.00 4.43 H new ATOM 858 N MET A 57 -9.155 -8.520 -13.428 1.00 11.41 N ATOM 859 CA MET A 57 -9.154 -9.462 -14.542 1.00 1.25 C ATOM 860 C MET A 57 -7.730 -9.800 -14.967 1.00 73.12 C ATOM 861 O MET A 57 -7.489 -10.825 -15.604 1.00 51.01 O ATOM 862 CB MET A 57 -9.931 -8.884 -15.727 1.00 51.41 C ATOM 863 CG MET A 57 -9.416 -7.529 -16.187 1.00 25.15 C ATOM 864 SD MET A 57 -10.743 -6.336 -16.449 1.00 2.22 S ATOM 865 CE MET A 57 -11.143 -5.898 -14.758 1.00 32.50 C ATOM 0 H MET A 57 -9.647 -7.646 -13.615 1.00 11.41 H new ATOM 0 HA MET A 57 -9.641 -10.379 -14.211 1.00 1.25 H new ATOM 0 HB2 MET A 57 -9.881 -9.585 -16.560 1.00 51.41 H new ATOM 0 HB3 MET A 57 -10.981 -8.790 -15.452 1.00 51.41 H new ATOM 0 HG2 MET A 57 -8.721 -7.137 -15.444 1.00 25.15 H new ATOM 0 HG3 MET A 57 -8.855 -7.653 -17.114 1.00 25.15 H new ATOM 0 HE1 MET A 57 -11.574 -4.897 -14.734 1.00 32.50 H new ATOM 0 HE2 MET A 57 -11.862 -6.613 -14.357 1.00 32.50 H new ATOM 0 HE3 MET A 57 -10.237 -5.918 -14.153 1.00 32.50 H new ATOM 875 N ASN A 58 -6.789 -8.931 -14.614 1.00 5.22 N ATOM 876 CA ASN A 58 -5.387 -9.137 -14.960 1.00 64.30 C ATOM 877 C ASN A 58 -4.713 -10.079 -13.966 1.00 12.25 C ATOM 878 O ASN A 58 -3.580 -10.509 -14.173 1.00 30.42 O ATOM 879 CB ASN A 58 -4.647 -7.799 -14.995 1.00 62.23 C ATOM 880 CG ASN A 58 -4.566 -7.220 -16.394 1.00 34.45 C ATOM 881 OD1 ASN A 58 -5.674 -7.279 -17.124 1.00 45.20 O flip ATOM 882 ND2 ASN A 58 -3.521 -6.724 -16.815 1.00 21.12 N flip ATOM 0 H ASN A 58 -6.972 -8.076 -14.088 1.00 5.22 H new ATOM 0 HA ASN A 58 -5.346 -9.593 -15.949 1.00 64.30 H new ATOM 0 HB2 ASN A 58 -5.153 -7.090 -14.340 1.00 62.23 H new ATOM 0 HB3 ASN A 58 -3.639 -7.934 -14.601 1.00 62.23 H new ATOM 0 HD21 ASN A 58 -2.693 -6.699 -16.221 1.00 21.12 H new ATOM 0 HD22 ASN A 58 -3.484 -6.338 -17.758 1.00 21.12 H new ATOM 889 N ASN A 59 -5.421 -10.392 -12.885 1.00 64.24 N ATOM 890 CA ASN A 59 -4.891 -11.283 -11.858 1.00 5.34 C ATOM 891 C ASN A 59 -4.565 -12.654 -12.441 1.00 54.14 C ATOM 892 O ASN A 59 -5.085 -13.033 -13.491 1.00 2.20 O ATOM 893 CB ASN A 59 -5.897 -11.429 -10.713 1.00 41.41 C ATOM 894 CG ASN A 59 -5.284 -12.075 -9.485 1.00 74.13 C ATOM 895 OD1 ASN A 59 -4.062 -12.129 -9.342 1.00 33.25 O ATOM 896 ND2 ASN A 59 -6.133 -12.571 -8.593 1.00 45.03 N ATOM 0 H ASN A 59 -6.361 -10.043 -12.698 1.00 64.24 H new ATOM 0 HA ASN A 59 -3.971 -10.845 -11.472 1.00 5.34 H new ATOM 0 HB2 ASN A 59 -6.286 -10.446 -10.447 1.00 41.41 H new ATOM 0 HB3 ASN A 59 -6.744 -12.027 -11.051 1.00 41.41 H new ATOM 0 HD21 ASN A 59 -5.780 -13.019 -7.747 1.00 45.03 H new ATOM 0 HD22 ASN A 59 -7.138 -12.504 -8.753 1.00 45.03 H new ATOM 903 N SER A 60 -3.701 -13.394 -11.753 1.00 35.44 N ATOM 904 CA SER A 60 -3.303 -14.722 -12.205 1.00 14.41 C ATOM 905 C SER A 60 -4.372 -15.755 -11.865 1.00 15.12 C ATOM 906 O SER A 60 -4.466 -16.801 -12.506 1.00 31.44 O ATOM 907 CB SER A 60 -1.971 -15.122 -11.568 1.00 2.11 C ATOM 908 OG SER A 60 -1.047 -15.558 -12.549 1.00 71.35 O ATOM 0 H SER A 60 -3.264 -13.096 -10.881 1.00 35.44 H new ATOM 0 HA SER A 60 -3.185 -14.690 -13.288 1.00 14.41 H new ATOM 0 HB2 SER A 60 -1.555 -14.274 -11.024 1.00 2.11 H new ATOM 0 HB3 SER A 60 -2.136 -15.917 -10.841 1.00 2.11 H new ATOM 0 HG SER A 60 -0.203 -15.806 -12.116 1.00 71.35 H new ATOM 914 N ASP A 61 -5.177 -15.453 -10.852 1.00 10.34 N ATOM 915 CA ASP A 61 -6.242 -16.354 -10.425 1.00 55.35 C ATOM 916 C ASP A 61 -7.326 -16.457 -11.494 1.00 64.01 C ATOM 917 O ASP A 61 -7.313 -15.720 -12.479 1.00 74.45 O ATOM 918 CB ASP A 61 -6.850 -15.870 -9.108 1.00 70.42 C ATOM 919 CG ASP A 61 -7.314 -17.017 -8.230 1.00 53.12 C ATOM 920 OD1 ASP A 61 -6.580 -18.023 -8.130 1.00 14.30 O ATOM 921 OD2 ASP A 61 -8.411 -16.907 -7.642 1.00 54.33 O ATOM 0 H ASP A 61 -5.112 -14.591 -10.311 1.00 10.34 H new ATOM 0 HA ASP A 61 -5.810 -17.344 -10.274 1.00 55.35 H new ATOM 0 HB2 ASP A 61 -6.113 -15.277 -8.567 1.00 70.42 H new ATOM 0 HB3 ASP A 61 -7.694 -15.214 -9.320 1.00 70.42 H new ATOM 926 N LYS A 62 -8.263 -17.376 -11.290 1.00 35.21 N ATOM 927 CA LYS A 62 -9.356 -17.577 -12.234 1.00 31.30 C ATOM 928 C LYS A 62 -10.706 -17.369 -11.556 1.00 63.40 C ATOM 929 O LYS A 62 -11.734 -17.243 -12.223 1.00 4.21 O ATOM 930 CB LYS A 62 -9.286 -18.983 -12.836 1.00 51.11 C ATOM 931 CG LYS A 62 -8.804 -20.040 -11.857 1.00 0.11 C ATOM 932 CD LYS A 62 -9.750 -20.178 -10.675 1.00 15.31 C ATOM 933 CE LYS A 62 -9.659 -21.560 -10.048 1.00 71.20 C ATOM 934 NZ LYS A 62 -10.448 -22.568 -10.810 1.00 65.13 N ATOM 0 H LYS A 62 -8.288 -17.994 -10.479 1.00 35.21 H new ATOM 0 HA LYS A 62 -9.253 -16.842 -13.032 1.00 31.30 H new ATOM 0 HB2 LYS A 62 -10.274 -19.262 -13.202 1.00 51.11 H new ATOM 0 HB3 LYS A 62 -8.619 -18.967 -13.698 1.00 51.11 H new ATOM 0 HG2 LYS A 62 -8.717 -20.999 -12.369 1.00 0.11 H new ATOM 0 HG3 LYS A 62 -7.808 -19.779 -11.499 1.00 0.11 H new ATOM 0 HD2 LYS A 62 -9.512 -19.421 -9.927 1.00 15.31 H new ATOM 0 HD3 LYS A 62 -10.773 -19.992 -11.002 1.00 15.31 H new ATOM 0 HE2 LYS A 62 -8.615 -21.872 -10.006 1.00 71.20 H new ATOM 0 HE3 LYS A 62 -10.020 -21.517 -9.021 1.00 71.20 H new ATOM 0 HZ1 LYS A 62 -10.360 -23.497 -10.351 1.00 65.13 H new ATOM 0 HZ2 LYS A 62 -11.448 -22.284 -10.829 1.00 65.13 H new ATOM 0 HZ3 LYS A 62 -10.087 -22.628 -11.783 1.00 65.13 H new ATOM 948 N ARG A 63 -10.697 -17.334 -10.228 1.00 61.42 N ATOM 949 CA ARG A 63 -11.921 -17.141 -9.460 1.00 33.22 C ATOM 950 C ARG A 63 -11.956 -15.750 -8.832 1.00 74.35 C ATOM 951 O ARG A 63 -13.025 -15.228 -8.517 1.00 14.05 O ATOM 952 CB ARG A 63 -12.037 -18.207 -8.369 1.00 64.31 C ATOM 953 CG ARG A 63 -13.328 -19.007 -8.434 1.00 3.14 C ATOM 954 CD ARG A 63 -13.094 -20.398 -9.001 1.00 3.02 C ATOM 955 NE ARG A 63 -13.166 -21.429 -7.968 1.00 74.33 N ATOM 956 CZ ARG A 63 -13.340 -22.719 -8.229 1.00 64.34 C ATOM 957 NH1 ARG A 63 -13.459 -23.136 -9.482 1.00 33.20 N ATOM 958 NH2 ARG A 63 -13.394 -23.597 -7.236 1.00 22.42 N ATOM 0 H ARG A 63 -9.855 -17.437 -9.661 1.00 61.42 H new ATOM 0 HA ARG A 63 -12.766 -17.234 -10.142 1.00 33.22 H new ATOM 0 HB2 ARG A 63 -11.192 -18.890 -8.449 1.00 64.31 H new ATOM 0 HB3 ARG A 63 -11.966 -17.726 -7.394 1.00 64.31 H new ATOM 0 HG2 ARG A 63 -13.758 -19.088 -7.436 1.00 3.14 H new ATOM 0 HG3 ARG A 63 -14.054 -18.479 -9.052 1.00 3.14 H new ATOM 0 HD2 ARG A 63 -13.836 -20.605 -9.772 1.00 3.02 H new ATOM 0 HD3 ARG A 63 -12.116 -20.434 -9.482 1.00 3.02 H new ATOM 0 HE ARG A 63 -13.078 -21.142 -6.993 1.00 74.33 H new ATOM 0 HH11 ARG A 63 -13.417 -22.465 -10.249 1.00 33.20 H new ATOM 0 HH12 ARG A 63 -13.593 -24.128 -9.679 1.00 33.20 H new ATOM 0 HH21 ARG A 63 -13.302 -23.281 -6.270 1.00 22.42 H new ATOM 0 HH22 ARG A 63 -13.528 -24.588 -7.438 1.00 22.42 H new ATOM 972 N PHE A 64 -10.780 -15.157 -8.656 1.00 24.43 N ATOM 973 CA PHE A 64 -10.677 -13.827 -8.065 1.00 60.32 C ATOM 974 C PHE A 64 -10.088 -12.834 -9.063 1.00 32.14 C ATOM 975 O PHE A 64 -9.657 -11.744 -8.688 1.00 32.21 O ATOM 976 CB PHE A 64 -9.811 -13.873 -6.804 1.00 33.40 C ATOM 977 CG PHE A 64 -10.586 -14.195 -5.558 1.00 44.23 C ATOM 978 CD1 PHE A 64 -11.280 -15.389 -5.446 1.00 51.21 C ATOM 979 CD2 PHE A 64 -10.620 -13.302 -4.498 1.00 72.31 C ATOM 980 CE1 PHE A 64 -11.992 -15.688 -4.300 1.00 30.44 C ATOM 981 CE2 PHE A 64 -11.331 -13.596 -3.350 1.00 22.13 C ATOM 982 CZ PHE A 64 -12.020 -14.790 -3.251 1.00 42.21 C ATOM 0 H PHE A 64 -9.886 -15.575 -8.914 1.00 24.43 H new ATOM 0 HA PHE A 64 -11.680 -13.496 -7.797 1.00 60.32 H new ATOM 0 HB2 PHE A 64 -9.027 -14.618 -6.938 1.00 33.40 H new ATOM 0 HB3 PHE A 64 -9.317 -12.910 -6.677 1.00 33.40 H new ATOM 0 HD1 PHE A 64 -11.264 -16.094 -6.264 1.00 51.21 H new ATOM 0 HD2 PHE A 64 -10.085 -12.367 -4.570 1.00 72.31 H new ATOM 0 HE1 PHE A 64 -12.526 -16.624 -4.225 1.00 30.44 H new ATOM 0 HE2 PHE A 64 -11.348 -12.893 -2.530 1.00 22.13 H new ATOM 0 HZ PHE A 64 -12.579 -15.020 -2.356 1.00 42.21 H new ATOM 992 N ALA A 65 -10.076 -13.220 -10.335 1.00 41.32 N ATOM 993 CA ALA A 65 -9.543 -12.363 -11.387 1.00 42.12 C ATOM 994 C ALA A 65 -10.666 -11.674 -12.155 1.00 44.23 C ATOM 995 O ALA A 65 -10.946 -12.017 -13.303 1.00 40.31 O ATOM 996 CB ALA A 65 -8.671 -13.173 -12.336 1.00 5.02 C ATOM 0 H ALA A 65 -10.429 -14.120 -10.661 1.00 41.32 H new ATOM 0 HA ALA A 65 -8.932 -11.591 -10.919 1.00 42.12 H new ATOM 0 HB1 ALA A 65 -8.280 -12.521 -13.117 1.00 5.02 H new ATOM 0 HB2 ALA A 65 -7.842 -13.614 -11.782 1.00 5.02 H new ATOM 0 HB3 ALA A 65 -9.266 -13.965 -12.790 1.00 5.02 H new ATOM 1002 N ASP A 66 -11.304 -10.701 -11.513 1.00 75.31 N ATOM 1003 CA ASP A 66 -12.396 -9.963 -12.137 1.00 61.43 C ATOM 1004 C ASP A 66 -12.938 -8.895 -11.193 1.00 20.33 C ATOM 1005 O ASP A 66 -13.017 -9.104 -9.981 1.00 11.45 O ATOM 1006 CB ASP A 66 -13.520 -10.919 -12.544 1.00 45.34 C ATOM 1007 CG ASP A 66 -13.522 -11.207 -14.032 1.00 35.15 C ATOM 1008 OD1 ASP A 66 -13.583 -10.243 -14.824 1.00 10.14 O ATOM 1009 OD2 ASP A 66 -13.464 -12.397 -14.406 1.00 55.22 O ATOM 0 H ASP A 66 -11.084 -10.405 -10.562 1.00 75.31 H new ATOM 0 HA ASP A 66 -12.007 -9.472 -13.029 1.00 61.43 H new ATOM 0 HB2 ASP A 66 -13.414 -11.855 -11.996 1.00 45.34 H new ATOM 0 HB3 ASP A 66 -14.480 -10.489 -12.258 1.00 45.34 H new ATOM 1014 N CYS A 67 -13.311 -7.750 -11.755 1.00 3.34 N ATOM 1015 CA CYS A 67 -13.845 -6.647 -10.964 1.00 60.11 C ATOM 1016 C CYS A 67 -15.182 -7.026 -10.335 1.00 62.43 C ATOM 1017 O CYS A 67 -15.591 -6.450 -9.327 1.00 21.53 O ATOM 1018 CB CYS A 67 -14.014 -5.402 -11.835 1.00 12.30 C ATOM 1019 SG CYS A 67 -12.518 -4.368 -11.954 1.00 31.40 S ATOM 0 H CYS A 67 -13.253 -7.562 -12.756 1.00 3.34 H new ATOM 0 HA CYS A 67 -13.136 -6.430 -10.165 1.00 60.11 H new ATOM 0 HB2 CYS A 67 -14.310 -5.711 -12.838 1.00 12.30 H new ATOM 0 HB3 CYS A 67 -14.828 -4.799 -11.434 1.00 12.30 H new ATOM 0 HG CYS A 67 -12.267 -3.833 -10.796 1.00 31.40 H new ATOM 1024 N SER A 68 -15.858 -8.000 -10.937 1.00 25.43 N ATOM 1025 CA SER A 68 -17.151 -8.454 -10.438 1.00 53.42 C ATOM 1026 C SER A 68 -16.995 -9.185 -9.109 1.00 44.33 C ATOM 1027 O SER A 68 -17.922 -9.235 -8.300 1.00 74.54 O ATOM 1028 CB SER A 68 -17.822 -9.372 -11.461 1.00 54.11 C ATOM 1029 OG SER A 68 -19.007 -8.785 -11.973 1.00 41.34 O ATOM 0 H SER A 68 -15.532 -8.489 -11.770 1.00 25.43 H new ATOM 0 HA SER A 68 -17.779 -7.577 -10.279 1.00 53.42 H new ATOM 0 HB2 SER A 68 -17.131 -9.577 -12.279 1.00 54.11 H new ATOM 0 HB3 SER A 68 -18.058 -10.329 -10.996 1.00 54.11 H new ATOM 0 HG SER A 68 -19.416 -9.390 -12.626 1.00 41.34 H new ATOM 1035 N LYS A 69 -15.813 -9.752 -8.887 1.00 74.54 N ATOM 1036 CA LYS A 69 -15.531 -10.480 -7.657 1.00 60.31 C ATOM 1037 C LYS A 69 -15.545 -9.542 -6.454 1.00 42.33 C ATOM 1038 O LYS A 69 -15.922 -8.376 -6.569 1.00 51.14 O ATOM 1039 CB LYS A 69 -14.174 -11.182 -7.754 1.00 33.01 C ATOM 1040 CG LYS A 69 -14.046 -12.093 -8.963 1.00 53.51 C ATOM 1041 CD LYS A 69 -15.148 -13.139 -8.992 1.00 10.31 C ATOM 1042 CE LYS A 69 -15.040 -14.027 -10.223 1.00 24.15 C ATOM 1043 NZ LYS A 69 -15.699 -15.346 -10.013 1.00 63.43 N ATOM 0 H LYS A 69 -15.034 -9.720 -9.545 1.00 74.54 H new ATOM 0 HA LYS A 69 -16.311 -11.229 -7.521 1.00 60.31 H new ATOM 0 HB2 LYS A 69 -13.387 -10.429 -7.792 1.00 33.01 H new ATOM 0 HB3 LYS A 69 -14.012 -11.768 -6.849 1.00 33.01 H new ATOM 0 HG2 LYS A 69 -14.085 -11.497 -9.875 1.00 53.51 H new ATOM 0 HG3 LYS A 69 -13.075 -12.587 -8.946 1.00 53.51 H new ATOM 0 HD2 LYS A 69 -15.093 -13.753 -8.093 1.00 10.31 H new ATOM 0 HD3 LYS A 69 -16.120 -12.646 -8.982 1.00 10.31 H new ATOM 0 HE2 LYS A 69 -15.497 -13.524 -11.075 1.00 24.15 H new ATOM 0 HE3 LYS A 69 -13.989 -14.181 -10.469 1.00 24.15 H new ATOM 0 HZ1 LYS A 69 -15.831 -15.818 -10.930 1.00 63.43 H new ATOM 0 HZ2 LYS A 69 -15.102 -15.939 -9.401 1.00 63.43 H new ATOM 0 HZ3 LYS A 69 -16.625 -15.204 -9.561 1.00 63.43 H new ATOM 1057 N SER A 70 -15.129 -10.058 -5.302 1.00 60.44 N ATOM 1058 CA SER A 70 -15.095 -9.266 -4.078 1.00 31.44 C ATOM 1059 C SER A 70 -13.658 -8.965 -3.664 1.00 34.25 C ATOM 1060 O SER A 70 -12.710 -9.430 -4.296 1.00 25.33 O ATOM 1061 CB SER A 70 -15.819 -10.004 -2.948 1.00 74.24 C ATOM 1062 OG SER A 70 -17.165 -10.278 -3.298 1.00 55.54 O ATOM 0 H SER A 70 -14.811 -11.021 -5.191 1.00 60.44 H new ATOM 0 HA SER A 70 -15.604 -8.322 -4.272 1.00 31.44 H new ATOM 0 HB2 SER A 70 -15.300 -10.937 -2.728 1.00 74.24 H new ATOM 0 HB3 SER A 70 -15.791 -9.402 -2.040 1.00 74.24 H new ATOM 0 HG SER A 70 -17.605 -10.751 -2.561 1.00 55.54 H new ATOM 1068 N GLN A 71 -13.507 -8.182 -2.601 1.00 25.12 N ATOM 1069 CA GLN A 71 -12.186 -7.818 -2.104 1.00 1.21 C ATOM 1070 C GLN A 71 -11.539 -8.987 -1.369 1.00 51.21 C ATOM 1071 O GLN A 71 -12.225 -9.799 -0.750 1.00 3.01 O ATOM 1072 CB GLN A 71 -12.284 -6.607 -1.173 1.00 64.40 C ATOM 1073 CG GLN A 71 -10.995 -6.309 -0.425 1.00 14.04 C ATOM 1074 CD GLN A 71 -10.800 -4.828 -0.165 1.00 31.55 C ATOM 1075 OE1 GLN A 71 -9.548 -4.409 -0.031 1.00 33.01 O flip ATOM 1076 NE2 GLN A 71 -11.766 -4.068 -0.086 1.00 70.42 N flip ATOM 0 H GLN A 71 -14.282 -7.788 -2.068 1.00 25.12 H new ATOM 0 HA GLN A 71 -11.562 -7.561 -2.960 1.00 1.21 H new ATOM 0 HB2 GLN A 71 -12.566 -5.731 -1.758 1.00 64.40 H new ATOM 0 HB3 GLN A 71 -13.082 -6.778 -0.451 1.00 64.40 H new ATOM 0 HG2 GLN A 71 -10.999 -6.843 0.525 1.00 14.04 H new ATOM 0 HG3 GLN A 71 -10.150 -6.687 -1.000 1.00 14.04 H new ATOM 0 HE21 GLN A 71 -12.712 -4.433 -0.195 1.00 70.42 H new ATOM 0 HE22 GLN A 71 -11.620 -3.074 0.089 1.00 70.42 H new ATOM 1085 N GLU A 72 -10.214 -9.066 -1.445 1.00 40.02 N ATOM 1086 CA GLU A 72 -9.475 -10.137 -0.788 1.00 64.34 C ATOM 1087 C GLU A 72 -9.478 -9.952 0.727 1.00 20.51 C ATOM 1088 O GLU A 72 -9.872 -10.850 1.472 1.00 12.23 O ATOM 1089 CB GLU A 72 -8.034 -10.185 -1.303 1.00 22.21 C ATOM 1090 CG GLU A 72 -7.861 -11.039 -2.548 1.00 61.14 C ATOM 1091 CD GLU A 72 -7.217 -12.379 -2.250 1.00 75.13 C ATOM 1092 OE1 GLU A 72 -5.970 -12.440 -2.199 1.00 14.34 O ATOM 1093 OE2 GLU A 72 -7.959 -13.367 -2.070 1.00 44.20 O ATOM 0 H GLU A 72 -9.631 -8.402 -1.954 1.00 40.02 H new ATOM 0 HA GLU A 72 -9.969 -11.080 -1.023 1.00 64.34 H new ATOM 0 HB2 GLU A 72 -7.700 -9.170 -1.519 1.00 22.21 H new ATOM 0 HB3 GLU A 72 -7.388 -10.572 -0.515 1.00 22.21 H new ATOM 0 HG2 GLU A 72 -8.834 -11.203 -3.010 1.00 61.14 H new ATOM 0 HG3 GLU A 72 -7.251 -10.500 -3.272 1.00 61.14 H new ATOM 1100 N MET A 73 -9.037 -8.783 1.175 1.00 14.43 N ATOM 1101 CA MET A 73 -8.990 -8.479 2.600 1.00 0.45 C ATOM 1102 C MET A 73 -9.570 -7.096 2.881 1.00 51.02 C ATOM 1103 O MET A 73 -9.459 -6.187 2.059 1.00 54.14 O ATOM 1104 CB MET A 73 -7.550 -8.553 3.113 1.00 74.24 C ATOM 1105 CG MET A 73 -7.074 -9.971 3.382 1.00 54.13 C ATOM 1106 SD MET A 73 -5.851 -10.055 4.705 1.00 32.54 S ATOM 1107 CE MET A 73 -4.892 -8.580 4.372 1.00 4.44 C ATOM 0 H MET A 73 -8.707 -8.030 0.572 1.00 14.43 H new ATOM 0 HA MET A 73 -9.594 -9.221 3.123 1.00 0.45 H new ATOM 0 HB2 MET A 73 -6.888 -8.089 2.382 1.00 74.24 H new ATOM 0 HB3 MET A 73 -7.469 -7.971 4.031 1.00 74.24 H new ATOM 0 HG2 MET A 73 -7.930 -10.594 3.644 1.00 54.13 H new ATOM 0 HG3 MET A 73 -6.645 -10.385 2.470 1.00 54.13 H new ATOM 0 HE1 MET A 73 -3.904 -8.679 4.821 1.00 4.44 H new ATOM 0 HE2 MET A 73 -4.790 -8.448 3.295 1.00 4.44 H new ATOM 0 HE3 MET A 73 -5.398 -7.713 4.797 1.00 4.44 H new ATOM 1117 N SER A 74 -10.191 -6.944 4.048 1.00 74.44 N ATOM 1118 CA SER A 74 -10.792 -5.674 4.434 1.00 74.20 C ATOM 1119 C SER A 74 -9.739 -4.573 4.503 1.00 50.44 C ATOM 1120 O SER A 74 -8.544 -4.848 4.607 1.00 21.15 O ATOM 1121 CB SER A 74 -11.495 -5.809 5.786 1.00 14.34 C ATOM 1122 OG SER A 74 -12.768 -6.415 5.641 1.00 10.34 O ATOM 0 H SER A 74 -10.290 -7.685 4.741 1.00 74.44 H new ATOM 0 HA SER A 74 -11.527 -5.402 3.676 1.00 74.20 H new ATOM 0 HB2 SER A 74 -10.880 -6.404 6.461 1.00 14.34 H new ATOM 0 HB3 SER A 74 -11.607 -4.825 6.241 1.00 14.34 H new ATOM 0 HG SER A 74 -13.196 -6.491 6.519 1.00 10.34 H new ATOM 1128 N ASN A 75 -10.192 -3.325 4.443 1.00 44.31 N ATOM 1129 CA ASN A 75 -9.289 -2.181 4.499 1.00 33.22 C ATOM 1130 C ASN A 75 -8.476 -2.191 5.789 1.00 14.41 C ATOM 1131 O ASN A 75 -7.284 -1.886 5.785 1.00 74.12 O ATOM 1132 CB ASN A 75 -10.080 -0.875 4.391 1.00 60.42 C ATOM 1133 CG ASN A 75 -9.747 -0.099 3.131 1.00 3.13 C ATOM 1134 OD1 ASN A 75 -9.545 1.115 3.171 1.00 32.22 O ATOM 1135 ND2 ASN A 75 -9.688 -0.799 2.004 1.00 64.03 N ATOM 0 H ASN A 75 -11.178 -3.080 4.356 1.00 44.31 H new ATOM 0 HA ASN A 75 -8.600 -2.252 3.657 1.00 33.22 H new ATOM 0 HB2 ASN A 75 -11.147 -1.097 4.406 1.00 60.42 H new ATOM 0 HB3 ASN A 75 -9.872 -0.254 5.262 1.00 60.42 H new ATOM 0 HD21 ASN A 75 -9.468 -0.332 1.124 1.00 64.03 H new ATOM 0 HD22 ASN A 75 -9.863 -1.804 2.018 1.00 64.03 H new ATOM 1142 N GLU A 76 -9.129 -2.545 6.892 1.00 71.24 N ATOM 1143 CA GLU A 76 -8.465 -2.595 8.189 1.00 31.35 C ATOM 1144 C GLU A 76 -7.308 -3.588 8.170 1.00 43.44 C ATOM 1145 O GLU A 76 -6.196 -3.267 8.586 1.00 43.44 O ATOM 1146 CB GLU A 76 -9.465 -2.980 9.282 1.00 3.41 C ATOM 1147 CG GLU A 76 -10.256 -4.239 8.968 1.00 24.04 C ATOM 1148 CD GLU A 76 -11.693 -4.158 9.445 1.00 55.02 C ATOM 1149 OE1 GLU A 76 -12.527 -3.579 8.717 1.00 40.41 O ATOM 1150 OE2 GLU A 76 -11.985 -4.674 10.543 1.00 44.20 O ATOM 0 H GLU A 76 -10.116 -2.801 6.913 1.00 71.24 H new ATOM 0 HA GLU A 76 -8.066 -1.604 8.404 1.00 31.35 H new ATOM 0 HB2 GLU A 76 -8.928 -3.123 10.220 1.00 3.41 H new ATOM 0 HB3 GLU A 76 -10.159 -2.154 9.435 1.00 3.41 H new ATOM 0 HG2 GLU A 76 -10.243 -4.413 7.892 1.00 24.04 H new ATOM 0 HG3 GLU A 76 -9.770 -5.095 9.435 1.00 24.04 H new ATOM 1157 N GLU A 77 -7.579 -4.795 7.685 1.00 23.01 N ATOM 1158 CA GLU A 77 -6.560 -5.835 7.614 1.00 61.52 C ATOM 1159 C GLU A 77 -5.373 -5.378 6.769 1.00 24.54 C ATOM 1160 O GLU A 77 -4.218 -5.575 7.146 1.00 1.31 O ATOM 1161 CB GLU A 77 -7.150 -7.121 7.029 1.00 13.31 C ATOM 1162 CG GLU A 77 -8.072 -7.857 7.986 1.00 72.22 C ATOM 1163 CD GLU A 77 -7.998 -9.364 7.824 1.00 13.43 C ATOM 1164 OE1 GLU A 77 -6.948 -9.945 8.167 1.00 4.55 O ATOM 1165 OE2 GLU A 77 -8.989 -9.959 7.354 1.00 23.40 O ATOM 0 H GLU A 77 -8.495 -5.077 7.336 1.00 23.01 H new ATOM 0 HA GLU A 77 -6.209 -6.032 8.627 1.00 61.52 H new ATOM 0 HB2 GLU A 77 -7.702 -6.878 6.121 1.00 13.31 H new ATOM 0 HB3 GLU A 77 -6.336 -7.785 6.739 1.00 13.31 H new ATOM 0 HG2 GLU A 77 -7.812 -7.592 9.011 1.00 72.22 H new ATOM 0 HG3 GLU A 77 -9.098 -7.528 7.822 1.00 72.22 H new ATOM 1172 N ILE A 78 -5.668 -4.768 5.626 1.00 3.02 N ATOM 1173 CA ILE A 78 -4.627 -4.283 4.729 1.00 1.22 C ATOM 1174 C ILE A 78 -3.825 -3.159 5.376 1.00 52.21 C ATOM 1175 O ILE A 78 -2.596 -3.197 5.405 1.00 34.03 O ATOM 1176 CB ILE A 78 -5.220 -3.777 3.401 1.00 63.21 C ATOM 1177 CG1 ILE A 78 -6.043 -4.879 2.732 1.00 75.24 C ATOM 1178 CG2 ILE A 78 -4.111 -3.300 2.474 1.00 2.04 C ATOM 1179 CD1 ILE A 78 -7.138 -4.354 1.830 1.00 22.11 C ATOM 0 H ILE A 78 -6.619 -4.598 5.299 1.00 3.02 H new ATOM 0 HA ILE A 78 -3.967 -5.126 4.525 1.00 1.22 H new ATOM 0 HB ILE A 78 -5.879 -2.935 3.612 1.00 63.21 H new ATOM 0 HG12 ILE A 78 -5.377 -5.515 2.149 1.00 75.24 H new ATOM 0 HG13 ILE A 78 -6.489 -5.507 3.503 1.00 75.24 H new ATOM 0 HG21 ILE A 78 -4.545 -2.945 1.539 1.00 2.04 H new ATOM 0 HG22 ILE A 78 -3.563 -2.487 2.951 1.00 2.04 H new ATOM 0 HG23 ILE A 78 -3.430 -4.125 2.267 1.00 2.04 H new ATOM 0 HD11 ILE A 78 -7.680 -5.191 1.390 1.00 22.11 H new ATOM 0 HD12 ILE A 78 -7.827 -3.742 2.412 1.00 22.11 H new ATOM 0 HD13 ILE A 78 -6.698 -3.750 1.037 1.00 22.11 H new ATOM 1191 N ASN A 79 -4.531 -2.159 5.896 1.00 52.34 N ATOM 1192 CA ASN A 79 -3.884 -1.024 6.544 1.00 13.02 C ATOM 1193 C ASN A 79 -2.914 -1.494 7.624 1.00 14.32 C ATOM 1194 O ASN A 79 -1.798 -0.986 7.733 1.00 20.50 O ATOM 1195 CB ASN A 79 -4.933 -0.093 7.154 1.00 23.34 C ATOM 1196 CG ASN A 79 -4.715 0.131 8.639 1.00 73.44 C ATOM 1197 OD1 ASN A 79 -5.377 -0.675 9.462 1.00 0.11 O flip ATOM 1198 ND2 ASN A 79 -3.960 1.016 9.039 1.00 10.40 N flip ATOM 0 H ASN A 79 -5.550 -2.112 5.881 1.00 52.34 H new ATOM 0 HA ASN A 79 -3.320 -0.478 5.787 1.00 13.02 H new ATOM 0 HB2 ASN A 79 -4.908 0.866 6.637 1.00 23.34 H new ATOM 0 HB3 ASN A 79 -5.925 -0.515 6.995 1.00 23.34 H new ATOM 0 HD21 ASN A 79 -3.472 1.611 8.370 1.00 10.40 H new ATOM 0 HD22 ASN A 79 -3.822 1.154 10.040 1.00 10.40 H new ATOM 1205 N GLU A 80 -3.349 -2.465 8.420 1.00 32.42 N ATOM 1206 CA GLU A 80 -2.519 -3.003 9.491 1.00 23.03 C ATOM 1207 C GLU A 80 -1.443 -3.929 8.933 1.00 11.23 C ATOM 1208 O GLU A 80 -0.370 -4.074 9.519 1.00 32.02 O ATOM 1209 CB GLU A 80 -3.383 -3.759 10.505 1.00 41.53 C ATOM 1210 CG GLU A 80 -3.936 -5.070 9.975 1.00 71.33 C ATOM 1211 CD GLU A 80 -4.534 -5.935 11.067 1.00 13.13 C ATOM 1212 OE1 GLU A 80 -3.763 -6.455 11.901 1.00 14.01 O ATOM 1213 OE2 GLU A 80 -5.773 -6.091 11.089 1.00 11.23 O ATOM 0 H GLU A 80 -4.271 -2.895 8.344 1.00 32.42 H new ATOM 0 HA GLU A 80 -2.030 -2.167 9.992 1.00 23.03 H new ATOM 0 HB2 GLU A 80 -2.790 -3.959 11.397 1.00 41.53 H new ATOM 0 HB3 GLU A 80 -4.213 -3.121 10.810 1.00 41.53 H new ATOM 0 HG2 GLU A 80 -4.698 -4.861 9.224 1.00 71.33 H new ATOM 0 HG3 GLU A 80 -3.139 -5.621 9.476 1.00 71.33 H new ATOM 1220 N GLU A 81 -1.739 -4.554 7.798 1.00 42.45 N ATOM 1221 CA GLU A 81 -0.797 -5.467 7.161 1.00 42.35 C ATOM 1222 C GLU A 81 0.473 -4.731 6.739 1.00 70.54 C ATOM 1223 O GLU A 81 1.583 -5.141 7.078 1.00 64.34 O ATOM 1224 CB GLU A 81 -1.441 -6.134 5.945 1.00 52.13 C ATOM 1225 CG GLU A 81 -0.483 -7.002 5.148 1.00 73.35 C ATOM 1226 CD GLU A 81 0.057 -8.168 5.954 1.00 14.01 C ATOM 1227 OE1 GLU A 81 -0.577 -9.244 5.941 1.00 14.42 O ATOM 1228 OE2 GLU A 81 1.114 -8.004 6.599 1.00 31.44 O ATOM 0 H GLU A 81 -2.623 -4.445 7.301 1.00 42.45 H new ATOM 0 HA GLU A 81 -0.528 -6.235 7.886 1.00 42.35 H new ATOM 0 HB2 GLU A 81 -2.280 -6.745 6.278 1.00 52.13 H new ATOM 0 HB3 GLU A 81 -1.848 -5.363 5.291 1.00 52.13 H new ATOM 0 HG2 GLU A 81 -0.994 -7.382 4.263 1.00 73.35 H new ATOM 0 HG3 GLU A 81 0.349 -6.391 4.798 1.00 73.35 H new ATOM 1235 N LEU A 82 0.300 -3.644 5.996 1.00 73.32 N ATOM 1236 CA LEU A 82 1.430 -2.852 5.525 1.00 15.15 C ATOM 1237 C LEU A 82 1.880 -1.859 6.592 1.00 11.31 C ATOM 1238 O LEU A 82 3.053 -1.494 6.659 1.00 42.11 O ATOM 1239 CB LEU A 82 1.056 -2.105 4.243 1.00 43.40 C ATOM 1240 CG LEU A 82 0.382 -2.939 3.154 1.00 54.20 C ATOM 1241 CD1 LEU A 82 -1.095 -2.591 3.052 1.00 22.21 C ATOM 1242 CD2 LEU A 82 1.075 -2.727 1.815 1.00 12.45 C ATOM 0 H LEU A 82 -0.612 -3.291 5.707 1.00 73.32 H new ATOM 0 HA LEU A 82 2.256 -3.531 5.314 1.00 15.15 H new ATOM 0 HB2 LEU A 82 0.391 -1.282 4.506 1.00 43.40 H new ATOM 0 HB3 LEU A 82 1.961 -1.663 3.826 1.00 43.40 H new ATOM 0 HG LEU A 82 0.468 -3.992 3.424 1.00 54.20 H new ATOM 0 HD11 LEU A 82 -1.558 -3.195 2.271 1.00 22.21 H new ATOM 0 HD12 LEU A 82 -1.583 -2.794 4.005 1.00 22.21 H new ATOM 0 HD13 LEU A 82 -1.204 -1.535 2.806 1.00 22.21 H new ATOM 0 HD21 LEU A 82 0.582 -3.328 1.051 1.00 12.45 H new ATOM 0 HD22 LEU A 82 1.020 -1.674 1.539 1.00 12.45 H new ATOM 0 HD23 LEU A 82 2.120 -3.027 1.895 1.00 12.45 H new ATOM 1254 N GLY A 83 0.939 -1.427 7.427 1.00 42.40 N ATOM 1255 CA GLY A 83 1.260 -0.482 8.481 1.00 71.20 C ATOM 1256 C GLY A 83 1.075 0.958 8.045 1.00 24.42 C ATOM 1257 O GLY A 83 1.841 1.836 8.442 1.00 21.23 O ATOM 0 H GLY A 83 -0.039 -1.714 7.392 1.00 42.40 H new ATOM 0 HA2 GLY A 83 0.628 -0.680 9.347 1.00 71.20 H new ATOM 0 HA3 GLY A 83 2.292 -0.633 8.798 1.00 71.20 H new ATOM 1261 N ILE A 84 0.057 1.200 7.227 1.00 72.23 N ATOM 1262 CA ILE A 84 -0.226 2.544 6.736 1.00 62.34 C ATOM 1263 C ILE A 84 -1.429 3.148 7.451 1.00 2.02 C ATOM 1264 O ILE A 84 -1.974 2.554 8.381 1.00 14.32 O ATOM 1265 CB ILE A 84 -0.490 2.545 5.219 1.00 62.24 C ATOM 1266 CG1 ILE A 84 -1.731 1.711 4.895 1.00 31.42 C ATOM 1267 CG2 ILE A 84 0.723 2.014 4.469 1.00 23.44 C ATOM 1268 CD1 ILE A 84 -2.159 1.802 3.447 1.00 54.15 C ATOM 0 H ILE A 84 -0.586 0.484 6.890 1.00 72.23 H new ATOM 0 HA ILE A 84 0.657 3.148 6.943 1.00 62.34 H new ATOM 0 HB ILE A 84 -0.670 3.571 4.897 1.00 62.24 H new ATOM 0 HG12 ILE A 84 -1.533 0.668 5.142 1.00 31.42 H new ATOM 0 HG13 ILE A 84 -2.554 2.038 5.530 1.00 31.42 H new ATOM 0 HG21 ILE A 84 0.520 2.021 3.398 1.00 23.44 H new ATOM 0 HG22 ILE A 84 1.586 2.646 4.679 1.00 23.44 H new ATOM 0 HG23 ILE A 84 0.933 0.994 4.792 1.00 23.44 H new ATOM 0 HD11 ILE A 84 -3.044 1.186 3.290 1.00 54.15 H new ATOM 0 HD12 ILE A 84 -2.390 2.838 3.200 1.00 54.15 H new ATOM 0 HD13 ILE A 84 -1.352 1.447 2.806 1.00 54.15 H new ATOM 1280 N GLY A 85 -1.841 4.332 7.009 1.00 40.55 N ATOM 1281 CA GLY A 85 -2.978 4.997 7.617 1.00 42.15 C ATOM 1282 C GLY A 85 -4.109 5.225 6.635 1.00 31.50 C ATOM 1283 O GLY A 85 -4.450 6.366 6.325 1.00 72.00 O ATOM 0 H GLY A 85 -1.407 4.843 6.240 1.00 40.55 H new ATOM 0 HA2 GLY A 85 -3.341 4.398 8.452 1.00 42.15 H new ATOM 0 HA3 GLY A 85 -2.658 5.955 8.027 1.00 42.15 H new ATOM 1287 N GLN A 86 -4.691 4.136 6.142 1.00 71.21 N ATOM 1288 CA GLN A 86 -5.790 4.223 5.186 1.00 4.11 C ATOM 1289 C GLN A 86 -6.904 5.118 5.718 1.00 21.02 C ATOM 1290 O GLN A 86 -7.187 5.129 6.916 1.00 72.13 O ATOM 1291 CB GLN A 86 -6.341 2.829 4.883 1.00 61.55 C ATOM 1292 CG GLN A 86 -5.828 2.243 3.576 1.00 4.41 C ATOM 1293 CD GLN A 86 -5.925 0.731 3.537 1.00 42.11 C ATOM 1294 OE1 GLN A 86 -5.089 0.105 2.717 1.00 23.31 O flip ATOM 1295 NE2 GLN A 86 -6.741 0.131 4.236 1.00 73.02 N flip ATOM 0 H GLN A 86 -4.420 3.184 6.388 1.00 71.21 H new ATOM 0 HA GLN A 86 -5.404 4.662 4.266 1.00 4.11 H new ATOM 0 HB2 GLN A 86 -6.078 2.158 5.701 1.00 61.55 H new ATOM 0 HB3 GLN A 86 -7.429 2.877 4.848 1.00 61.55 H new ATOM 0 HG2 GLN A 86 -6.398 2.661 2.746 1.00 4.41 H new ATOM 0 HG3 GLN A 86 -4.789 2.541 3.432 1.00 4.41 H new ATOM 0 HE21 GLN A 86 -7.365 0.652 4.852 1.00 73.02 H new ATOM 0 HE22 GLN A 86 -6.793 -0.887 4.199 1.00 73.02 H new