USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=14 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 75 ASN : amide:sc= 0.281 K(o=-3.5,f=-1.4) USER MOD Set 1.2: A 86 GLN : amide:sc= -3.76! K(o=-3.5!,f=-1.4) USER MOD Set 2.1: A 31 CYS SG : rot 147:sc= -1.44! USER MOD Set 2.2: A 34 CYS SG : rot -50:sc= 0.852 USER MOD Set 2.3: A 56 CYS SG : rot 114:sc= -0.0229 USER MOD Set 2.4: A 57 MET CE :methyl -175:sc= -0.951 (180deg=-0.684) USER MOD Set 2.5: A 67 CYS SG : rot -62:sc= 0.595 USER MOD Single : A 26 SER OG : rot 34:sc= 0.0771 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.62 K(o=-2.6,f=-0.85) USER MOD Single : A 59 ASN : amide:sc= -1.46 K(o=-1.5,f=-4.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -126:sc= 0.00252 (180deg=0) USER MOD Single : A 70 SER OG : rot 91:sc= 0.0468 USER MOD Single : A 71 GLN : amide:sc= -2.94 K(o=-2.9,f=-4.1!) USER MOD Single : A 73 MET CE :methyl -149:sc= -1.63 (180deg=-3.85!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.539 K(o=-0.54,f=0.77) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.769 -11.924 -0.459 1.00 31.53 N ATOM 367 CA SER A 26 3.525 -11.493 -1.086 1.00 41.13 C ATOM 368 C SER A 26 3.423 -9.971 -1.100 1.00 54.25 C ATOM 369 O SER A 26 3.700 -9.310 -0.101 1.00 11.20 O ATOM 370 CB SER A 26 2.324 -12.089 -0.348 1.00 40.34 C ATOM 371 OG SER A 26 2.380 -13.505 -0.343 1.00 31.30 O ATOM 0 HA SER A 26 3.523 -11.850 -2.116 1.00 41.13 H new ATOM 0 HB2 SER A 26 2.303 -11.719 0.677 1.00 40.34 H new ATOM 0 HB3 SER A 26 1.401 -11.760 -0.825 1.00 40.34 H new ATOM 0 HG SER A 26 3.314 -13.795 -0.289 1.00 31.30 H new ATOM 377 N ALA A 27 3.025 -9.422 -2.244 1.00 1.21 N ATOM 378 CA ALA A 27 2.884 -7.979 -2.390 1.00 12.10 C ATOM 379 C ALA A 27 1.421 -7.584 -2.553 1.00 55.02 C ATOM 380 O ALA A 27 0.589 -8.398 -2.954 1.00 61.11 O ATOM 381 CB ALA A 27 3.702 -7.486 -3.575 1.00 74.02 C ATOM 0 H ALA A 27 2.795 -9.955 -3.082 1.00 1.21 H new ATOM 0 HA ALA A 27 3.261 -7.508 -1.482 1.00 12.10 H new ATOM 0 HB1 ALA A 27 3.587 -6.406 -3.672 1.00 74.02 H new ATOM 0 HB2 ALA A 27 4.753 -7.726 -3.417 1.00 74.02 H new ATOM 0 HB3 ALA A 27 3.352 -7.972 -4.486 1.00 74.02 H new ATOM 387 N TRP A 28 1.113 -6.330 -2.239 1.00 64.42 N ATOM 388 CA TRP A 28 -0.251 -5.827 -2.351 1.00 74.35 C ATOM 389 C TRP A 28 -0.418 -4.979 -3.607 1.00 15.44 C ATOM 390 O TRP A 28 0.351 -4.047 -3.843 1.00 71.05 O ATOM 391 CB TRP A 28 -0.617 -5.008 -1.113 1.00 34.15 C ATOM 392 CG TRP A 28 -1.136 -5.841 0.020 1.00 51.12 C ATOM 393 CD1 TRP A 28 -0.511 -6.090 1.208 1.00 42.51 C ATOM 394 CD2 TRP A 28 -2.387 -6.535 0.070 1.00 63.41 C ATOM 395 NE1 TRP A 28 -1.296 -6.898 1.993 1.00 32.25 N ATOM 396 CE2 TRP A 28 -2.454 -7.185 1.318 1.00 3.32 C ATOM 397 CE3 TRP A 28 -3.458 -6.670 -0.817 1.00 61.30 C ATOM 398 CZ2 TRP A 28 -3.548 -7.957 1.699 1.00 43.25 C ATOM 399 CZ3 TRP A 28 -4.544 -7.438 -0.439 1.00 14.44 C ATOM 400 CH2 TRP A 28 -4.583 -8.073 0.810 1.00 13.54 C ATOM 0 H TRP A 28 1.790 -5.644 -1.905 1.00 64.42 H new ATOM 0 HA TRP A 28 -0.923 -6.682 -2.423 1.00 74.35 H new ATOM 0 HB2 TRP A 28 0.262 -4.458 -0.777 1.00 34.15 H new ATOM 0 HB3 TRP A 28 -1.370 -4.269 -1.385 1.00 34.15 H new ATOM 0 HD1 TRP A 28 0.459 -5.707 1.489 1.00 42.51 H new ATOM 0 HE1 TRP A 28 -1.056 -7.231 2.927 1.00 32.25 H new ATOM 0 HE3 TRP A 28 -3.438 -6.183 -1.781 1.00 61.30 H new ATOM 0 HZ2 TRP A 28 -3.579 -8.447 2.661 1.00 43.25 H new ATOM 0 HZ3 TRP A 28 -5.376 -7.551 -1.118 1.00 14.44 H new ATOM 0 HH2 TRP A 28 -5.446 -8.665 1.076 1.00 13.54 H new ATOM 411 N VAL A 29 -1.428 -5.306 -4.408 1.00 44.31 N ATOM 412 CA VAL A 29 -1.695 -4.571 -5.639 1.00 22.12 C ATOM 413 C VAL A 29 -3.106 -3.995 -5.639 1.00 14.43 C ATOM 414 O VAL A 29 -4.048 -4.632 -5.165 1.00 54.12 O ATOM 415 CB VAL A 29 -1.519 -5.470 -6.877 1.00 53.24 C ATOM 416 CG1 VAL A 29 -2.488 -6.641 -6.830 1.00 1.43 C ATOM 417 CG2 VAL A 29 -1.709 -4.661 -8.152 1.00 5.14 C ATOM 0 H VAL A 29 -2.074 -6.074 -4.227 1.00 44.31 H new ATOM 0 HA VAL A 29 -0.973 -3.756 -5.685 1.00 22.12 H new ATOM 0 HB VAL A 29 -0.505 -5.870 -6.874 1.00 53.24 H new ATOM 0 HG11 VAL A 29 -2.348 -7.265 -7.713 1.00 1.43 H new ATOM 0 HG12 VAL A 29 -2.300 -7.233 -5.934 1.00 1.43 H new ATOM 0 HG13 VAL A 29 -3.511 -6.266 -6.809 1.00 1.43 H new ATOM 0 HG21 VAL A 29 -1.581 -5.311 -9.018 1.00 5.14 H new ATOM 0 HG22 VAL A 29 -2.711 -4.232 -8.165 1.00 5.14 H new ATOM 0 HG23 VAL A 29 -0.971 -3.860 -8.188 1.00 5.14 H new ATOM 427 N ARG A 30 -3.245 -2.786 -6.173 1.00 33.34 N ATOM 428 CA ARG A 30 -4.543 -2.123 -6.233 1.00 53.31 C ATOM 429 C ARG A 30 -5.046 -2.044 -7.672 1.00 62.13 C ATOM 430 O ARG A 30 -4.265 -1.859 -8.605 1.00 3.33 O ATOM 431 CB ARG A 30 -4.449 -0.717 -5.637 1.00 51.30 C ATOM 432 CG ARG A 30 -5.797 -0.033 -5.477 1.00 54.23 C ATOM 433 CD ARG A 30 -5.746 1.414 -5.944 1.00 1.44 C ATOM 434 NE ARG A 30 -5.500 1.517 -7.380 1.00 45.33 N ATOM 435 CZ ARG A 30 -5.036 2.613 -7.969 1.00 13.44 C ATOM 436 NH1 ARG A 30 -4.770 3.695 -7.249 1.00 11.20 N ATOM 437 NH2 ARG A 30 -4.837 2.631 -9.280 1.00 71.52 N ATOM 0 H ARG A 30 -2.476 -2.246 -6.570 1.00 33.34 H new ATOM 0 HA ARG A 30 -5.251 -2.711 -5.650 1.00 53.31 H new ATOM 0 HB2 ARG A 30 -3.963 -0.776 -4.663 1.00 51.30 H new ATOM 0 HB3 ARG A 30 -3.813 -0.103 -6.274 1.00 51.30 H new ATOM 0 HG2 ARG A 30 -6.551 -0.575 -6.048 1.00 54.23 H new ATOM 0 HG3 ARG A 30 -6.103 -0.069 -4.431 1.00 54.23 H new ATOM 0 HD2 ARG A 30 -6.687 1.907 -5.701 1.00 1.44 H new ATOM 0 HD3 ARG A 30 -4.961 1.942 -5.403 1.00 1.44 H new ATOM 0 HE ARG A 30 -5.695 0.703 -7.962 1.00 45.33 H new ATOM 0 HH11 ARG A 30 -4.922 3.686 -6.240 1.00 11.20 H new ATOM 0 HH12 ARG A 30 -4.414 4.535 -7.704 1.00 11.20 H new ATOM 0 HH21 ARG A 30 -5.040 1.802 -9.838 1.00 71.52 H new ATOM 0 HH22 ARG A 30 -4.481 3.474 -9.730 1.00 71.52 H new ATOM 451 N CYS A 31 -6.356 -2.187 -7.843 1.00 54.24 N ATOM 452 CA CYS A 31 -6.964 -2.133 -9.167 1.00 74.02 C ATOM 453 C CYS A 31 -7.055 -0.694 -9.666 1.00 50.51 C ATOM 454 O CYS A 31 -7.380 0.218 -8.906 1.00 43.44 O ATOM 455 CB CYS A 31 -8.358 -2.763 -9.136 1.00 74.15 C ATOM 456 SG CYS A 31 -9.195 -2.795 -10.754 1.00 72.21 S ATOM 0 H CYS A 31 -7.017 -2.341 -7.081 1.00 54.24 H new ATOM 0 HA CYS A 31 -6.332 -2.697 -9.853 1.00 74.02 H new ATOM 0 HB2 CYS A 31 -8.276 -3.783 -8.761 1.00 74.15 H new ATOM 0 HB3 CYS A 31 -8.978 -2.212 -8.429 1.00 74.15 H new ATOM 0 HG CYS A 31 -9.937 -3.859 -10.838 1.00 72.21 H new ATOM 461 N ASP A 32 -6.766 -0.499 -10.948 1.00 72.20 N ATOM 462 CA ASP A 32 -6.816 0.829 -11.551 1.00 33.45 C ATOM 463 C ASP A 32 -8.144 1.049 -12.268 1.00 13.12 C ATOM 464 O ASP A 32 -8.191 1.668 -13.332 1.00 41.50 O ATOM 465 CB ASP A 32 -5.657 1.012 -12.530 1.00 25.34 C ATOM 466 CG ASP A 32 -5.330 2.472 -12.774 1.00 11.24 C ATOM 467 OD1 ASP A 32 -5.859 3.329 -12.036 1.00 31.40 O ATOM 468 OD2 ASP A 32 -4.547 2.758 -13.704 1.00 2.22 O ATOM 0 H ASP A 32 -6.495 -1.243 -11.590 1.00 72.20 H new ATOM 0 HA ASP A 32 -6.727 1.567 -10.754 1.00 33.45 H new ATOM 0 HB2 ASP A 32 -4.774 0.505 -12.142 1.00 25.34 H new ATOM 0 HB3 ASP A 32 -5.907 0.535 -13.478 1.00 25.34 H new ATOM 473 N ASP A 33 -9.221 0.541 -11.679 1.00 60.54 N ATOM 474 CA ASP A 33 -10.550 0.683 -12.263 1.00 24.53 C ATOM 475 C ASP A 33 -11.609 0.831 -11.174 1.00 64.42 C ATOM 476 O ASP A 33 -12.492 1.683 -11.264 1.00 74.11 O ATOM 477 CB ASP A 33 -10.875 -0.524 -13.146 1.00 11.31 C ATOM 478 CG ASP A 33 -11.948 -0.218 -14.172 1.00 63.31 C ATOM 479 OD1 ASP A 33 -11.749 0.716 -14.977 1.00 71.31 O ATOM 480 OD2 ASP A 33 -12.986 -0.912 -14.171 1.00 63.50 O ATOM 0 H ASP A 33 -9.200 0.027 -10.798 1.00 60.54 H new ATOM 0 HA ASP A 33 -10.556 1.584 -12.876 1.00 24.53 H new ATOM 0 HB2 ASP A 33 -9.970 -0.851 -13.658 1.00 11.31 H new ATOM 0 HB3 ASP A 33 -11.203 -1.352 -12.518 1.00 11.31 H new ATOM 485 N CYS A 34 -11.513 -0.005 -10.145 1.00 43.12 N ATOM 486 CA CYS A 34 -12.462 0.031 -9.039 1.00 72.12 C ATOM 487 C CYS A 34 -11.750 0.324 -7.722 1.00 61.42 C ATOM 488 O CYS A 34 -12.391 0.570 -6.699 1.00 50.23 O ATOM 489 CB CYS A 34 -13.213 -1.298 -8.941 1.00 32.10 C ATOM 490 SG CYS A 34 -12.153 -2.724 -8.538 1.00 11.45 S ATOM 0 H CYS A 34 -10.787 -0.716 -10.054 1.00 43.12 H new ATOM 0 HA CYS A 34 -13.177 0.831 -9.231 1.00 72.12 H new ATOM 0 HB2 CYS A 34 -13.989 -1.209 -8.180 1.00 32.10 H new ATOM 0 HB3 CYS A 34 -13.716 -1.489 -9.889 1.00 32.10 H new ATOM 0 HG CYS A 34 -11.131 -2.746 -9.341 1.00 11.45 H new ATOM 495 N PHE A 35 -10.422 0.297 -7.754 1.00 75.13 N ATOM 496 CA PHE A 35 -9.623 0.559 -6.562 1.00 44.14 C ATOM 497 C PHE A 35 -9.873 -0.502 -5.495 1.00 75.00 C ATOM 498 O PHE A 35 -10.606 -0.271 -4.533 1.00 3.25 O ATOM 499 CB PHE A 35 -9.943 1.946 -6.003 1.00 53.43 C ATOM 500 CG PHE A 35 -9.918 3.032 -7.042 1.00 22.33 C ATOM 501 CD1 PHE A 35 -8.714 3.519 -7.526 1.00 33.25 C ATOM 502 CD2 PHE A 35 -11.098 3.564 -7.536 1.00 22.25 C ATOM 503 CE1 PHE A 35 -8.689 4.518 -8.480 1.00 12.11 C ATOM 504 CE2 PHE A 35 -11.079 4.562 -8.491 1.00 54.43 C ATOM 505 CZ PHE A 35 -9.873 5.039 -8.965 1.00 2.34 C ATOM 0 H PHE A 35 -9.876 0.096 -8.592 1.00 75.13 H new ATOM 0 HA PHE A 35 -8.571 0.523 -6.845 1.00 44.14 H new ATOM 0 HB2 PHE A 35 -10.928 1.923 -5.537 1.00 53.43 H new ATOM 0 HB3 PHE A 35 -9.225 2.188 -5.219 1.00 53.43 H new ATOM 0 HD1 PHE A 35 -7.785 3.113 -7.153 1.00 33.25 H new ATOM 0 HD2 PHE A 35 -12.044 3.194 -7.170 1.00 22.25 H new ATOM 0 HE1 PHE A 35 -7.744 4.891 -8.846 1.00 12.11 H new ATOM 0 HE2 PHE A 35 -12.006 4.969 -8.866 1.00 54.43 H new ATOM 0 HZ PHE A 35 -9.855 5.818 -9.713 1.00 2.34 H new ATOM 515 N LYS A 36 -9.261 -1.667 -5.672 1.00 63.42 N ATOM 516 CA LYS A 36 -9.416 -2.766 -4.726 1.00 63.21 C ATOM 517 C LYS A 36 -8.074 -3.435 -4.445 1.00 72.41 C ATOM 518 O LYS A 36 -7.295 -3.693 -5.362 1.00 44.03 O ATOM 519 CB LYS A 36 -10.409 -3.797 -5.267 1.00 70.11 C ATOM 520 CG LYS A 36 -11.539 -4.118 -4.304 1.00 3.43 C ATOM 521 CD LYS A 36 -12.458 -2.924 -4.107 1.00 23.52 C ATOM 522 CE LYS A 36 -13.480 -3.184 -3.009 1.00 5.10 C ATOM 523 NZ LYS A 36 -14.793 -2.552 -3.314 1.00 23.25 N ATOM 0 H LYS A 36 -8.652 -1.875 -6.463 1.00 63.42 H new ATOM 0 HA LYS A 36 -9.801 -2.357 -3.792 1.00 63.21 H new ATOM 0 HB2 LYS A 36 -10.833 -3.426 -6.200 1.00 70.11 H new ATOM 0 HB3 LYS A 36 -9.873 -4.716 -5.504 1.00 70.11 H new ATOM 0 HG2 LYS A 36 -12.114 -4.962 -4.684 1.00 3.43 H new ATOM 0 HG3 LYS A 36 -11.124 -4.422 -3.343 1.00 3.43 H new ATOM 0 HD2 LYS A 36 -11.865 -2.045 -3.854 1.00 23.52 H new ATOM 0 HD3 LYS A 36 -12.974 -2.702 -5.041 1.00 23.52 H new ATOM 0 HE2 LYS A 36 -13.614 -4.259 -2.885 1.00 5.10 H new ATOM 0 HE3 LYS A 36 -13.102 -2.798 -2.062 1.00 5.10 H new ATOM 0 HZ1 LYS A 36 -15.462 -2.752 -2.543 1.00 23.25 H new ATOM 0 HZ2 LYS A 36 -14.670 -1.524 -3.408 1.00 23.25 H new ATOM 0 HZ3 LYS A 36 -15.166 -2.939 -4.205 1.00 23.25 H new ATOM 537 N TRP A 37 -7.812 -3.713 -3.173 1.00 31.44 N ATOM 538 CA TRP A 37 -6.565 -4.355 -2.772 1.00 52.25 C ATOM 539 C TRP A 37 -6.583 -5.841 -3.112 1.00 43.44 C ATOM 540 O TRP A 37 -7.611 -6.505 -2.980 1.00 3.54 O ATOM 541 CB TRP A 37 -6.329 -4.164 -1.273 1.00 70.24 C ATOM 542 CG TRP A 37 -5.557 -2.923 -0.946 1.00 0.54 C ATOM 543 CD1 TRP A 37 -5.895 -1.962 -0.036 1.00 51.22 C ATOM 544 CD2 TRP A 37 -4.317 -2.506 -1.529 1.00 3.11 C ATOM 545 NE1 TRP A 37 -4.941 -0.974 -0.018 1.00 63.10 N ATOM 546 CE2 TRP A 37 -3.961 -1.285 -0.924 1.00 31.24 C ATOM 547 CE3 TRP A 37 -3.470 -3.047 -2.500 1.00 74.34 C ATOM 548 CZ2 TRP A 37 -2.798 -0.598 -1.261 1.00 32.42 C ATOM 549 CZ3 TRP A 37 -2.317 -2.364 -2.834 1.00 72.45 C ATOM 550 CH2 TRP A 37 -1.989 -1.150 -2.216 1.00 63.31 C ATOM 0 H TRP A 37 -8.446 -3.504 -2.402 1.00 31.44 H new ATOM 0 HA TRP A 37 -5.750 -3.886 -3.324 1.00 52.25 H new ATOM 0 HB2 TRP A 37 -7.292 -4.129 -0.763 1.00 70.24 H new ATOM 0 HB3 TRP A 37 -5.793 -5.030 -0.884 1.00 70.24 H new ATOM 0 HD1 TRP A 37 -6.782 -1.977 0.579 1.00 51.22 H new ATOM 0 HE1 TRP A 37 -4.959 -0.143 0.574 1.00 63.10 H new ATOM 0 HE3 TRP A 37 -3.713 -3.983 -2.981 1.00 74.34 H new ATOM 0 HZ2 TRP A 37 -2.544 0.338 -0.785 1.00 32.42 H new ATOM 0 HZ3 TRP A 37 -1.657 -2.773 -3.585 1.00 72.45 H new ATOM 0 HH2 TRP A 37 -1.080 -0.640 -2.499 1.00 63.31 H new ATOM 561 N ARG A 38 -5.440 -6.357 -3.552 1.00 2.13 N ATOM 562 CA ARG A 38 -5.325 -7.765 -3.911 1.00 44.12 C ATOM 563 C ARG A 38 -3.968 -8.324 -3.495 1.00 44.45 C ATOM 564 O ARG A 38 -2.924 -7.791 -3.874 1.00 22.45 O ATOM 565 CB ARG A 38 -5.524 -7.946 -5.417 1.00 40.15 C ATOM 566 CG ARG A 38 -6.405 -9.130 -5.777 1.00 62.21 C ATOM 567 CD ARG A 38 -5.576 -10.344 -6.166 1.00 71.01 C ATOM 568 NE ARG A 38 -6.138 -11.583 -5.635 1.00 63.44 N ATOM 569 CZ ARG A 38 -5.447 -12.712 -5.519 1.00 21.23 C ATOM 570 NH1 ARG A 38 -4.175 -12.757 -5.892 1.00 31.40 N ATOM 571 NH2 ARG A 38 -6.027 -13.799 -5.026 1.00 15.12 N ATOM 0 H ARG A 38 -4.580 -5.821 -3.668 1.00 2.13 H new ATOM 0 HA ARG A 38 -6.102 -8.314 -3.380 1.00 44.12 H new ATOM 0 HB2 ARG A 38 -5.965 -7.038 -5.828 1.00 40.15 H new ATOM 0 HB3 ARG A 38 -4.550 -8.071 -5.891 1.00 40.15 H new ATOM 0 HG2 ARG A 38 -7.044 -9.381 -4.930 1.00 62.21 H new ATOM 0 HG3 ARG A 38 -7.063 -8.858 -6.602 1.00 62.21 H new ATOM 0 HD2 ARG A 38 -5.516 -10.409 -7.252 1.00 71.01 H new ATOM 0 HD3 ARG A 38 -4.558 -10.221 -5.798 1.00 71.01 H new ATOM 0 HE ARG A 38 -7.114 -11.582 -5.337 1.00 63.44 H new ATOM 0 HH11 ARG A 38 -3.724 -11.923 -6.269 1.00 31.40 H new ATOM 0 HH12 ARG A 38 -3.647 -13.625 -5.802 1.00 31.40 H new ATOM 0 HH21 ARG A 38 -7.004 -13.768 -4.736 1.00 15.12 H new ATOM 0 HH22 ARG A 38 -5.495 -14.665 -4.937 1.00 15.12 H new ATOM 585 N ARG A 39 -3.990 -9.399 -2.714 1.00 11.42 N ATOM 586 CA ARG A 39 -2.761 -10.028 -2.246 1.00 10.13 C ATOM 587 C ARG A 39 -2.224 -11.010 -3.282 1.00 71.31 C ATOM 588 O ARG A 39 -2.832 -12.049 -3.541 1.00 31.34 O ATOM 589 CB ARG A 39 -3.007 -10.752 -0.921 1.00 32.12 C ATOM 590 CG ARG A 39 -1.782 -10.815 -0.023 1.00 52.10 C ATOM 591 CD ARG A 39 -1.647 -12.176 0.641 1.00 52.32 C ATOM 592 NE ARG A 39 -1.025 -12.081 1.959 1.00 74.21 N ATOM 593 CZ ARG A 39 -0.955 -13.097 2.813 1.00 64.33 C ATOM 594 NH1 ARG A 39 -1.464 -14.277 2.488 1.00 52.33 N ATOM 595 NH2 ARG A 39 -0.373 -12.933 3.994 1.00 62.24 N ATOM 0 H ARG A 39 -4.845 -9.852 -2.392 1.00 11.42 H new ATOM 0 HA ARG A 39 -2.017 -9.246 -2.093 1.00 10.13 H new ATOM 0 HB2 ARG A 39 -3.813 -10.249 -0.387 1.00 32.12 H new ATOM 0 HB3 ARG A 39 -3.347 -11.767 -1.129 1.00 32.12 H new ATOM 0 HG2 ARG A 39 -0.888 -10.605 -0.610 1.00 52.10 H new ATOM 0 HG3 ARG A 39 -1.850 -10.041 0.742 1.00 52.10 H new ATOM 0 HD2 ARG A 39 -2.632 -12.632 0.737 1.00 52.32 H new ATOM 0 HD3 ARG A 39 -1.052 -12.832 0.006 1.00 52.32 H new ATOM 0 HE ARG A 39 -0.623 -11.187 2.239 1.00 74.21 H new ATOM 0 HH11 ARG A 39 -1.911 -14.407 1.580 1.00 52.33 H new ATOM 0 HH12 ARG A 39 -1.409 -15.055 3.146 1.00 52.33 H new ATOM 0 HH21 ARG A 39 0.021 -12.027 4.247 1.00 62.24 H new ATOM 0 HH22 ARG A 39 -0.320 -13.713 4.649 1.00 62.24 H new ATOM 609 N ILE A 40 -1.082 -10.673 -3.872 1.00 65.54 N ATOM 610 CA ILE A 40 -0.463 -11.526 -4.880 1.00 72.21 C ATOM 611 C ILE A 40 0.941 -11.946 -4.458 1.00 61.42 C ATOM 612 O ILE A 40 1.620 -11.256 -3.698 1.00 13.23 O ATOM 613 CB ILE A 40 -0.387 -10.819 -6.245 1.00 43.25 C ATOM 614 CG1 ILE A 40 0.713 -9.755 -6.233 1.00 25.31 C ATOM 615 CG2 ILE A 40 -1.730 -10.195 -6.595 1.00 61.14 C ATOM 616 CD1 ILE A 40 0.769 -8.928 -7.498 1.00 53.02 C ATOM 0 H ILE A 40 -0.567 -9.816 -3.670 1.00 65.54 H new ATOM 0 HA ILE A 40 -1.091 -12.412 -4.973 1.00 72.21 H new ATOM 0 HB ILE A 40 -0.143 -11.559 -7.007 1.00 43.25 H new ATOM 0 HG12 ILE A 40 0.556 -9.092 -5.382 1.00 25.31 H new ATOM 0 HG13 ILE A 40 1.677 -10.242 -6.084 1.00 25.31 H new ATOM 0 HG21 ILE A 40 -1.660 -9.699 -7.563 1.00 61.14 H new ATOM 0 HG22 ILE A 40 -2.492 -10.973 -6.641 1.00 61.14 H new ATOM 0 HG23 ILE A 40 -2.002 -9.465 -5.832 1.00 61.14 H new ATOM 0 HD11 ILE A 40 1.572 -8.195 -7.418 1.00 53.02 H new ATOM 0 HD12 ILE A 40 0.957 -9.580 -8.351 1.00 53.02 H new ATOM 0 HD13 ILE A 40 -0.181 -8.412 -7.638 1.00 53.02 H new ATOM 628 N PRO A 41 1.388 -13.105 -4.963 1.00 41.12 N ATOM 629 CA PRO A 41 2.717 -13.642 -4.654 1.00 31.15 C ATOM 630 C PRO A 41 3.835 -12.822 -5.287 1.00 41.00 C ATOM 631 O PRO A 41 3.628 -12.143 -6.291 1.00 52.15 O ATOM 632 CB PRO A 41 2.680 -15.049 -5.256 1.00 70.20 C ATOM 633 CG PRO A 41 1.664 -14.969 -6.344 1.00 31.42 C ATOM 634 CD PRO A 41 0.633 -13.981 -5.875 1.00 35.13 C ATOM 0 HA PRO A 41 2.924 -13.626 -3.584 1.00 31.15 H new ATOM 0 HB2 PRO A 41 3.656 -15.339 -5.646 1.00 70.20 H new ATOM 0 HB3 PRO A 41 2.402 -15.792 -4.509 1.00 70.20 H new ATOM 0 HG2 PRO A 41 2.119 -14.644 -7.280 1.00 31.42 H new ATOM 0 HG3 PRO A 41 1.214 -15.944 -6.530 1.00 31.42 H new ATOM 0 HD2 PRO A 41 0.205 -13.421 -6.707 1.00 35.13 H new ATOM 0 HD3 PRO A 41 -0.194 -14.475 -5.365 1.00 35.13 H new ATOM 642 N ALA A 42 5.022 -12.888 -4.692 1.00 65.52 N ATOM 643 CA ALA A 42 6.174 -12.154 -5.199 1.00 13.23 C ATOM 644 C ALA A 42 6.617 -12.695 -6.554 1.00 70.31 C ATOM 645 O ALA A 42 7.418 -12.072 -7.250 1.00 70.23 O ATOM 646 CB ALA A 42 7.321 -12.218 -4.202 1.00 2.30 C ATOM 0 H ALA A 42 5.210 -13.443 -3.857 1.00 65.52 H new ATOM 0 HA ALA A 42 5.880 -11.113 -5.332 1.00 13.23 H new ATOM 0 HB1 ALA A 42 8.175 -11.665 -4.594 1.00 2.30 H new ATOM 0 HB2 ALA A 42 7.006 -11.777 -3.256 1.00 2.30 H new ATOM 0 HB3 ALA A 42 7.605 -13.258 -4.040 1.00 2.30 H new ATOM 652 N SER A 43 6.091 -13.859 -6.922 1.00 72.32 N ATOM 653 CA SER A 43 6.436 -14.486 -8.193 1.00 25.42 C ATOM 654 C SER A 43 5.708 -13.809 -9.349 1.00 14.04 C ATOM 655 O SER A 43 6.257 -13.656 -10.440 1.00 31.41 O ATOM 656 CB SER A 43 6.090 -15.976 -8.160 1.00 71.42 C ATOM 657 OG SER A 43 6.608 -16.645 -9.298 1.00 12.43 O ATOM 0 H SER A 43 5.425 -14.387 -6.358 1.00 72.32 H new ATOM 0 HA SER A 43 7.509 -14.372 -8.347 1.00 25.42 H new ATOM 0 HB2 SER A 43 6.495 -16.427 -7.254 1.00 71.42 H new ATOM 0 HB3 SER A 43 5.008 -16.101 -8.122 1.00 71.42 H new ATOM 0 HG SER A 43 6.375 -17.596 -9.253 1.00 12.43 H new ATOM 663 N VAL A 44 4.466 -13.402 -9.102 1.00 5.10 N ATOM 664 CA VAL A 44 3.661 -12.739 -10.120 1.00 72.14 C ATOM 665 C VAL A 44 3.811 -11.224 -10.040 1.00 20.43 C ATOM 666 O VAL A 44 3.707 -10.525 -11.046 1.00 41.24 O ATOM 667 CB VAL A 44 2.171 -13.105 -9.984 1.00 40.43 C ATOM 668 CG1 VAL A 44 1.568 -12.439 -8.757 1.00 13.10 C ATOM 669 CG2 VAL A 44 1.410 -12.713 -11.242 1.00 64.22 C ATOM 0 H VAL A 44 3.996 -13.520 -8.205 1.00 5.10 H new ATOM 0 HA VAL A 44 4.026 -13.086 -11.087 1.00 72.14 H new ATOM 0 HB VAL A 44 2.089 -14.185 -9.859 1.00 40.43 H new ATOM 0 HG11 VAL A 44 0.515 -12.709 -8.677 1.00 13.10 H new ATOM 0 HG12 VAL A 44 2.097 -12.773 -7.865 1.00 13.10 H new ATOM 0 HG13 VAL A 44 1.659 -11.357 -8.849 1.00 13.10 H new ATOM 0 HG21 VAL A 44 0.359 -12.979 -11.129 1.00 64.22 H new ATOM 0 HG22 VAL A 44 1.498 -11.638 -11.400 1.00 64.22 H new ATOM 0 HG23 VAL A 44 1.828 -13.241 -12.099 1.00 64.22 H new ATOM 679 N VAL A 45 4.057 -10.723 -8.833 1.00 31.12 N ATOM 680 CA VAL A 45 4.224 -9.291 -8.620 1.00 35.20 C ATOM 681 C VAL A 45 5.343 -8.732 -9.490 1.00 74.01 C ATOM 682 O VAL A 45 5.357 -7.545 -9.815 1.00 70.13 O ATOM 683 CB VAL A 45 4.529 -8.975 -7.143 1.00 70.14 C ATOM 684 CG1 VAL A 45 6.020 -9.096 -6.869 1.00 50.53 C ATOM 685 CG2 VAL A 45 4.023 -7.587 -6.780 1.00 34.03 C ATOM 0 H VAL A 45 4.145 -11.288 -7.988 1.00 31.12 H new ATOM 0 HA VAL A 45 3.282 -8.818 -8.898 1.00 35.20 H new ATOM 0 HB VAL A 45 4.009 -9.701 -6.519 1.00 70.14 H new ATOM 0 HG11 VAL A 45 6.217 -8.869 -5.821 1.00 50.53 H new ATOM 0 HG12 VAL A 45 6.349 -10.112 -7.089 1.00 50.53 H new ATOM 0 HG13 VAL A 45 6.564 -8.394 -7.501 1.00 50.53 H new ATOM 0 HG21 VAL A 45 4.247 -7.380 -5.733 1.00 34.03 H new ATOM 0 HG22 VAL A 45 4.514 -6.845 -7.409 1.00 34.03 H new ATOM 0 HG23 VAL A 45 2.945 -7.540 -6.937 1.00 34.03 H new ATOM 695 N GLY A 46 6.282 -9.596 -9.866 1.00 21.23 N ATOM 696 CA GLY A 46 7.393 -9.170 -10.695 1.00 60.15 C ATOM 697 C GLY A 46 7.185 -9.506 -12.159 1.00 54.43 C ATOM 698 O GLY A 46 8.145 -9.598 -12.925 1.00 12.24 O ATOM 0 H GLY A 46 6.292 -10.583 -9.611 1.00 21.23 H new ATOM 0 HA2 GLY A 46 7.531 -8.094 -10.588 1.00 60.15 H new ATOM 0 HA3 GLY A 46 8.309 -9.645 -10.343 1.00 60.15 H new ATOM 702 N SER A 47 5.928 -9.690 -12.550 1.00 24.31 N ATOM 703 CA SER A 47 5.597 -10.023 -13.931 1.00 3.33 C ATOM 704 C SER A 47 4.388 -9.225 -14.406 1.00 74.11 C ATOM 705 O SER A 47 4.358 -8.738 -15.537 1.00 71.53 O ATOM 706 CB SER A 47 5.319 -11.521 -14.064 1.00 1.13 C ATOM 707 OG SER A 47 6.437 -12.286 -13.645 1.00 74.31 O ATOM 0 H SER A 47 5.122 -9.614 -11.930 1.00 24.31 H new ATOM 0 HA SER A 47 6.451 -9.763 -14.557 1.00 3.33 H new ATOM 0 HB2 SER A 47 4.447 -11.787 -13.466 1.00 1.13 H new ATOM 0 HB3 SER A 47 5.079 -11.759 -15.100 1.00 1.13 H new ATOM 0 HG SER A 47 6.234 -13.240 -13.738 1.00 74.31 H new ATOM 713 N ILE A 48 3.392 -9.096 -13.536 1.00 1.53 N ATOM 714 CA ILE A 48 2.180 -8.357 -13.867 1.00 1.41 C ATOM 715 C ILE A 48 2.430 -6.853 -13.843 1.00 74.33 C ATOM 716 O ILE A 48 1.593 -6.067 -14.290 1.00 11.23 O ATOM 717 CB ILE A 48 1.034 -8.690 -12.892 1.00 42.24 C ATOM 718 CG1 ILE A 48 1.436 -8.339 -11.458 1.00 71.14 C ATOM 719 CG2 ILE A 48 0.660 -10.162 -12.999 1.00 11.52 C ATOM 720 CD1 ILE A 48 1.045 -6.937 -11.048 1.00 63.13 C ATOM 0 H ILE A 48 3.401 -9.494 -12.597 1.00 1.53 H new ATOM 0 HA ILE A 48 1.891 -8.660 -14.873 1.00 1.41 H new ATOM 0 HB ILE A 48 0.163 -8.093 -13.160 1.00 42.24 H new ATOM 0 HG12 ILE A 48 0.973 -9.051 -10.775 1.00 71.14 H new ATOM 0 HG13 ILE A 48 2.515 -8.452 -11.354 1.00 71.14 H new ATOM 0 HG21 ILE A 48 -0.151 -10.383 -12.305 1.00 11.52 H new ATOM 0 HG22 ILE A 48 0.337 -10.382 -14.016 1.00 11.52 H new ATOM 0 HG23 ILE A 48 1.526 -10.776 -12.753 1.00 11.52 H new ATOM 0 HD11 ILE A 48 1.361 -6.757 -10.020 1.00 63.13 H new ATOM 0 HD12 ILE A 48 1.529 -6.217 -11.708 1.00 63.13 H new ATOM 0 HD13 ILE A 48 -0.037 -6.825 -11.120 1.00 63.13 H new ATOM 805 N TRP A 54 -2.408 -2.456 -12.978 1.00 31.02 N ATOM 806 CA TRP A 54 -2.965 -3.768 -12.668 1.00 23.02 C ATOM 807 C TRP A 54 -4.449 -3.665 -12.334 1.00 54.53 C ATOM 808 O TRP A 54 -4.912 -2.639 -11.833 1.00 75.31 O ATOM 809 CB TRP A 54 -2.210 -4.402 -11.497 1.00 51.34 C ATOM 810 CG TRP A 54 -2.654 -5.800 -11.192 1.00 61.10 C ATOM 811 CD1 TRP A 54 -2.094 -6.957 -11.653 1.00 0.43 C ATOM 812 CD2 TRP A 54 -3.753 -6.188 -10.360 1.00 72.02 C ATOM 813 NE1 TRP A 54 -2.778 -8.041 -11.157 1.00 4.51 N ATOM 814 CE2 TRP A 54 -3.800 -7.596 -10.361 1.00 2.21 C ATOM 815 CE3 TRP A 54 -4.701 -5.483 -9.614 1.00 33.44 C ATOM 816 CZ2 TRP A 54 -4.757 -8.308 -9.644 1.00 64.13 C ATOM 817 CZ3 TRP A 54 -5.651 -6.192 -8.903 1.00 74.25 C ATOM 818 CH2 TRP A 54 -5.673 -7.593 -8.923 1.00 10.15 C ATOM 0 HA TRP A 54 -2.853 -4.400 -13.549 1.00 23.02 H new ATOM 0 HB2 TRP A 54 -1.144 -4.408 -11.722 1.00 51.34 H new ATOM 0 HB3 TRP A 54 -2.345 -3.784 -10.610 1.00 51.34 H new ATOM 0 HD1 TRP A 54 -1.239 -7.012 -12.311 1.00 0.43 H new ATOM 0 HE1 TRP A 54 -2.560 -9.018 -11.350 1.00 4.51 H new ATOM 0 HE3 TRP A 54 -4.692 -4.403 -9.593 1.00 33.44 H new ATOM 0 HZ2 TRP A 54 -4.776 -9.388 -9.657 1.00 64.13 H new ATOM 0 HZ3 TRP A 54 -6.388 -5.657 -8.323 1.00 74.25 H new ATOM 0 HH2 TRP A 54 -6.428 -8.119 -8.358 1.00 10.15 H new ATOM 829 N ILE A 55 -5.190 -4.731 -12.616 1.00 63.05 N ATOM 830 CA ILE A 55 -6.621 -4.759 -12.346 1.00 15.13 C ATOM 831 C ILE A 55 -7.059 -6.130 -11.841 1.00 24.14 C ATOM 832 O ILE A 55 -6.262 -7.068 -11.788 1.00 10.04 O ATOM 833 CB ILE A 55 -7.440 -4.402 -13.601 1.00 2.01 C ATOM 834 CG1 ILE A 55 -6.841 -5.079 -14.836 1.00 2.01 C ATOM 835 CG2 ILE A 55 -7.490 -2.894 -13.789 1.00 1.31 C ATOM 836 CD1 ILE A 55 -7.549 -4.721 -16.124 1.00 20.30 C ATOM 0 H ILE A 55 -4.822 -5.587 -13.032 1.00 63.05 H new ATOM 0 HA ILE A 55 -6.810 -4.012 -11.575 1.00 15.13 H new ATOM 0 HB ILE A 55 -8.459 -4.766 -13.468 1.00 2.01 H new ATOM 0 HG12 ILE A 55 -5.790 -4.801 -14.919 1.00 2.01 H new ATOM 0 HG13 ILE A 55 -6.875 -6.160 -14.700 1.00 2.01 H new ATOM 0 HG21 ILE A 55 -8.072 -2.657 -14.680 1.00 1.31 H new ATOM 0 HG22 ILE A 55 -7.957 -2.434 -12.918 1.00 1.31 H new ATOM 0 HG23 ILE A 55 -6.477 -2.508 -13.904 1.00 1.31 H new ATOM 0 HD11 ILE A 55 -7.071 -5.236 -16.957 1.00 20.30 H new ATOM 0 HD12 ILE A 55 -8.594 -5.024 -16.061 1.00 20.30 H new ATOM 0 HD13 ILE A 55 -7.492 -3.644 -16.283 1.00 20.30 H new ATOM 848 N CYS A 56 -8.331 -6.241 -11.471 1.00 1.51 N ATOM 849 CA CYS A 56 -8.876 -7.497 -10.971 1.00 61.34 C ATOM 850 C CYS A 56 -8.836 -8.575 -12.051 1.00 12.22 C ATOM 851 O CYS A 56 -8.327 -9.673 -11.828 1.00 73.14 O ATOM 852 CB CYS A 56 -10.313 -7.297 -10.488 1.00 64.11 C ATOM 853 SG CYS A 56 -10.527 -5.885 -9.356 1.00 3.22 S ATOM 0 H CYS A 56 -9.004 -5.475 -11.508 1.00 1.51 H new ATOM 0 HA CYS A 56 -8.260 -7.824 -10.133 1.00 61.34 H new ATOM 0 HB2 CYS A 56 -10.960 -7.156 -11.354 1.00 64.11 H new ATOM 0 HB3 CYS A 56 -10.646 -8.205 -9.986 1.00 64.11 H new ATOM 0 HG CYS A 56 -11.266 -4.980 -9.926 1.00 3.22 H new ATOM 858 N MET A 57 -9.377 -8.252 -13.222 1.00 22.34 N ATOM 859 CA MET A 57 -9.403 -9.192 -14.337 1.00 44.22 C ATOM 860 C MET A 57 -7.988 -9.619 -14.720 1.00 33.11 C ATOM 861 O MET A 57 -7.795 -10.652 -15.359 1.00 44.33 O ATOM 862 CB MET A 57 -10.103 -8.565 -15.544 1.00 62.21 C ATOM 863 CG MET A 57 -9.512 -7.229 -15.963 1.00 15.41 C ATOM 864 SD MET A 57 -10.771 -5.963 -16.218 1.00 74.11 S ATOM 865 CE MET A 57 -11.338 -5.706 -14.538 1.00 42.53 C ATOM 0 H MET A 57 -9.803 -7.347 -13.423 1.00 22.34 H new ATOM 0 HA MET A 57 -9.958 -10.076 -14.023 1.00 44.22 H new ATOM 0 HB2 MET A 57 -10.049 -9.257 -16.385 1.00 62.21 H new ATOM 0 HB3 MET A 57 -11.159 -8.429 -15.311 1.00 62.21 H new ATOM 0 HG2 MET A 57 -8.811 -6.891 -15.200 1.00 15.41 H new ATOM 0 HG3 MET A 57 -8.943 -7.360 -16.883 1.00 15.41 H new ATOM 0 HE1 MET A 57 -12.180 -5.014 -14.540 1.00 42.53 H new ATOM 0 HE2 MET A 57 -11.651 -6.658 -14.110 1.00 42.53 H new ATOM 0 HE3 MET A 57 -10.528 -5.289 -13.940 1.00 42.53 H new ATOM 875 N ASN A 58 -7.005 -8.817 -14.325 1.00 1.22 N ATOM 876 CA ASN A 58 -5.610 -9.113 -14.628 1.00 2.22 C ATOM 877 C ASN A 58 -5.024 -10.082 -13.605 1.00 34.13 C ATOM 878 O ASN A 58 -3.909 -10.573 -13.769 1.00 63.31 O ATOM 879 CB ASN A 58 -4.787 -7.822 -14.654 1.00 31.31 C ATOM 880 CG ASN A 58 -4.695 -7.223 -16.043 1.00 72.33 C ATOM 881 OD1 ASN A 58 -3.627 -6.789 -16.475 1.00 1.12 O ATOM 882 ND2 ASN A 58 -5.818 -7.198 -16.752 1.00 43.22 N ATOM 0 H ASN A 58 -7.149 -7.958 -13.795 1.00 1.22 H new ATOM 0 HA ASN A 58 -5.570 -9.582 -15.611 1.00 2.22 H new ATOM 0 HB2 ASN A 58 -5.235 -7.095 -13.977 1.00 31.31 H new ATOM 0 HB3 ASN A 58 -3.783 -8.027 -14.282 1.00 31.31 H new ATOM 0 HD21 ASN A 58 -5.818 -6.808 -17.694 1.00 43.22 H new ATOM 0 HD22 ASN A 58 -6.681 -7.569 -16.354 1.00 43.22 H new ATOM 889 N ASN A 59 -5.786 -10.350 -12.550 1.00 63.41 N ATOM 890 CA ASN A 59 -5.343 -11.262 -11.500 1.00 51.30 C ATOM 891 C ASN A 59 -5.068 -12.651 -12.065 1.00 44.35 C ATOM 892 O ASN A 59 -5.790 -13.132 -12.939 1.00 2.21 O ATOM 893 CB ASN A 59 -6.397 -11.348 -10.393 1.00 61.23 C ATOM 894 CG ASN A 59 -5.948 -12.218 -9.235 1.00 51.41 C ATOM 895 OD1 ASN A 59 -4.755 -12.460 -9.052 1.00 31.52 O ATOM 896 ND2 ASN A 59 -6.905 -12.693 -8.447 1.00 34.33 N ATOM 0 H ASN A 59 -6.712 -9.950 -12.399 1.00 63.41 H new ATOM 0 HA ASN A 59 -4.416 -10.871 -11.081 1.00 51.30 H new ATOM 0 HB2 ASN A 59 -6.618 -10.346 -10.027 1.00 61.23 H new ATOM 0 HB3 ASN A 59 -7.323 -11.748 -10.807 1.00 61.23 H new ATOM 0 HD21 ASN A 59 -6.664 -13.285 -7.652 1.00 34.33 H new ATOM 0 HD22 ASN A 59 -7.881 -12.466 -8.637 1.00 34.33 H new ATOM 903 N SER A 60 -4.018 -13.293 -11.561 1.00 13.42 N ATOM 904 CA SER A 60 -3.644 -14.625 -12.017 1.00 74.32 C ATOM 905 C SER A 60 -4.711 -15.648 -11.638 1.00 53.14 C ATOM 906 O SER A 60 -4.824 -16.703 -12.263 1.00 31.32 O ATOM 907 CB SER A 60 -2.296 -15.033 -11.420 1.00 41.13 C ATOM 908 OG SER A 60 -2.060 -16.420 -11.593 1.00 52.31 O ATOM 0 H SER A 60 -3.411 -12.910 -10.836 1.00 13.42 H new ATOM 0 HA SER A 60 -3.559 -14.599 -13.103 1.00 74.32 H new ATOM 0 HB2 SER A 60 -1.497 -14.463 -11.895 1.00 41.13 H new ATOM 0 HB3 SER A 60 -2.276 -14.787 -10.358 1.00 41.13 H new ATOM 0 HG SER A 60 -1.192 -16.655 -11.204 1.00 52.31 H new ATOM 914 N ASP A 61 -5.491 -15.327 -10.612 1.00 53.02 N ATOM 915 CA ASP A 61 -6.551 -16.217 -10.150 1.00 1.24 C ATOM 916 C ASP A 61 -7.660 -16.328 -11.191 1.00 70.54 C ATOM 917 O ASP A 61 -7.589 -15.717 -12.257 1.00 60.12 O ATOM 918 CB ASP A 61 -7.126 -15.713 -8.825 1.00 54.11 C ATOM 919 CG ASP A 61 -7.537 -16.845 -7.905 1.00 31.40 C ATOM 920 OD1 ASP A 61 -6.841 -17.881 -7.892 1.00 74.23 O ATOM 921 OD2 ASP A 61 -8.555 -16.695 -7.196 1.00 53.24 O ATOM 0 H ASP A 61 -5.410 -14.458 -10.084 1.00 53.02 H new ATOM 0 HA ASP A 61 -6.121 -17.207 -9.998 1.00 1.24 H new ATOM 0 HB2 ASP A 61 -6.384 -15.092 -8.323 1.00 54.11 H new ATOM 0 HB3 ASP A 61 -7.990 -15.079 -9.025 1.00 54.11 H new ATOM 926 N LYS A 62 -8.684 -17.114 -10.876 1.00 24.11 N ATOM 927 CA LYS A 62 -9.808 -17.307 -11.783 1.00 22.41 C ATOM 928 C LYS A 62 -11.127 -16.968 -11.095 1.00 23.04 C ATOM 929 O LYS A 62 -12.038 -16.419 -11.714 1.00 72.22 O ATOM 930 CB LYS A 62 -9.841 -18.752 -12.287 1.00 74.34 C ATOM 931 CG LYS A 62 -9.727 -19.786 -11.180 1.00 21.02 C ATOM 932 CD LYS A 62 -8.513 -20.679 -11.374 1.00 72.20 C ATOM 933 CE LYS A 62 -8.075 -21.316 -10.064 1.00 72.13 C ATOM 934 NZ LYS A 62 -7.988 -22.799 -10.171 1.00 50.55 N ATOM 0 H LYS A 62 -8.758 -17.628 -9.998 1.00 24.11 H new ATOM 0 HA LYS A 62 -9.677 -16.635 -12.631 1.00 22.41 H new ATOM 0 HB2 LYS A 62 -10.771 -18.917 -12.832 1.00 74.34 H new ATOM 0 HB3 LYS A 62 -9.026 -18.899 -12.995 1.00 74.34 H new ATOM 0 HG2 LYS A 62 -9.659 -19.282 -10.216 1.00 21.02 H new ATOM 0 HG3 LYS A 62 -10.629 -20.397 -11.157 1.00 21.02 H new ATOM 0 HD2 LYS A 62 -8.746 -21.459 -12.099 1.00 72.20 H new ATOM 0 HD3 LYS A 62 -7.692 -20.094 -11.788 1.00 72.20 H new ATOM 0 HE2 LYS A 62 -7.104 -20.915 -9.772 1.00 72.13 H new ATOM 0 HE3 LYS A 62 -8.780 -21.049 -9.277 1.00 72.13 H new ATOM 0 HZ1 LYS A 62 -7.687 -23.196 -9.258 1.00 50.55 H new ATOM 0 HZ2 LYS A 62 -8.920 -23.184 -10.425 1.00 50.55 H new ATOM 0 HZ3 LYS A 62 -7.296 -23.054 -10.905 1.00 50.55 H new ATOM 948 N ARG A 63 -11.220 -17.297 -9.810 1.00 55.53 N ATOM 949 CA ARG A 63 -12.427 -17.026 -9.039 1.00 20.11 C ATOM 950 C ARG A 63 -12.375 -15.633 -8.418 1.00 61.41 C ATOM 951 O ARG A 63 -13.384 -15.118 -7.936 1.00 74.31 O ATOM 952 CB ARG A 63 -12.603 -18.078 -7.941 1.00 52.23 C ATOM 953 CG ARG A 63 -13.585 -19.180 -8.308 1.00 24.13 C ATOM 954 CD ARG A 63 -12.934 -20.237 -9.187 1.00 11.42 C ATOM 955 NE ARG A 63 -13.856 -21.322 -9.512 1.00 5.22 N ATOM 956 CZ ARG A 63 -14.152 -22.309 -8.674 1.00 15.32 C ATOM 957 NH1 ARG A 63 -13.603 -22.347 -7.468 1.00 72.02 N ATOM 958 NH2 ARG A 63 -15.001 -23.261 -9.043 1.00 44.51 N ATOM 0 H ARG A 63 -10.475 -17.751 -9.282 1.00 55.53 H new ATOM 0 HA ARG A 63 -13.279 -17.071 -9.718 1.00 20.11 H new ATOM 0 HB2 ARG A 63 -11.634 -18.525 -7.719 1.00 52.23 H new ATOM 0 HB3 ARG A 63 -12.944 -17.587 -7.030 1.00 52.23 H new ATOM 0 HG2 ARG A 63 -13.967 -19.646 -7.400 1.00 24.13 H new ATOM 0 HG3 ARG A 63 -14.440 -18.748 -8.829 1.00 24.13 H new ATOM 0 HD2 ARG A 63 -12.580 -19.774 -10.108 1.00 11.42 H new ATOM 0 HD3 ARG A 63 -12.060 -20.644 -8.678 1.00 11.42 H new ATOM 0 HE ARG A 63 -14.296 -21.322 -10.432 1.00 5.22 H new ATOM 0 HH11 ARG A 63 -12.951 -21.617 -7.181 1.00 72.02 H new ATOM 0 HH12 ARG A 63 -13.833 -23.106 -6.827 1.00 72.02 H new ATOM 0 HH21 ARG A 63 -15.426 -23.234 -9.970 1.00 44.51 H new ATOM 0 HH22 ARG A 63 -15.228 -24.019 -8.399 1.00 44.51 H new ATOM 972 N PHE A 64 -11.192 -15.028 -8.433 1.00 42.14 N ATOM 973 CA PHE A 64 -11.008 -13.696 -7.871 1.00 45.22 C ATOM 974 C PHE A 64 -10.302 -12.778 -8.866 1.00 24.41 C ATOM 975 O PHE A 64 -9.545 -11.889 -8.477 1.00 55.14 O ATOM 976 CB PHE A 64 -10.202 -13.774 -6.573 1.00 24.22 C ATOM 977 CG PHE A 64 -11.034 -14.122 -5.371 1.00 42.02 C ATOM 978 CD1 PHE A 64 -11.655 -15.356 -5.276 1.00 23.43 C ATOM 979 CD2 PHE A 64 -11.194 -13.213 -4.337 1.00 21.41 C ATOM 980 CE1 PHE A 64 -12.421 -15.679 -4.172 1.00 24.41 C ATOM 981 CE2 PHE A 64 -11.959 -13.531 -3.231 1.00 20.12 C ATOM 982 CZ PHE A 64 -12.574 -14.765 -3.148 1.00 5.33 C ATOM 0 H PHE A 64 -10.347 -15.439 -8.828 1.00 42.14 H new ATOM 0 HA PHE A 64 -11.993 -13.281 -7.656 1.00 45.22 H new ATOM 0 HB2 PHE A 64 -9.414 -14.519 -6.688 1.00 24.22 H new ATOM 0 HB3 PHE A 64 -9.712 -12.816 -6.401 1.00 24.22 H new ATOM 0 HD1 PHE A 64 -11.539 -16.074 -6.074 1.00 23.43 H new ATOM 0 HD2 PHE A 64 -10.716 -12.246 -4.396 1.00 21.41 H new ATOM 0 HE1 PHE A 64 -12.900 -16.645 -4.110 1.00 24.41 H new ATOM 0 HE2 PHE A 64 -12.076 -12.815 -2.431 1.00 20.12 H new ATOM 0 HZ PHE A 64 -13.173 -15.014 -2.285 1.00 5.33 H new ATOM 992 N ALA A 65 -10.555 -13.003 -10.151 1.00 22.43 N ATOM 993 CA ALA A 65 -9.946 -12.198 -11.202 1.00 2.13 C ATOM 994 C ALA A 65 -11.003 -11.428 -11.986 1.00 62.33 C ATOM 995 O ALA A 65 -11.258 -11.722 -13.155 1.00 32.14 O ATOM 996 CB ALA A 65 -9.128 -13.078 -12.136 1.00 34.25 C ATOM 0 H ALA A 65 -11.178 -13.737 -10.489 1.00 22.43 H new ATOM 0 HA ALA A 65 -9.282 -11.473 -10.731 1.00 2.13 H new ATOM 0 HB1 ALA A 65 -8.679 -12.463 -12.916 1.00 34.25 H new ATOM 0 HB2 ALA A 65 -8.341 -13.577 -11.570 1.00 34.25 H new ATOM 0 HB3 ALA A 65 -9.777 -13.826 -12.592 1.00 34.25 H new ATOM 1002 N ASP A 66 -11.616 -10.444 -11.338 1.00 65.20 N ATOM 1003 CA ASP A 66 -12.646 -9.633 -11.976 1.00 30.34 C ATOM 1004 C ASP A 66 -13.090 -8.498 -11.057 1.00 60.34 C ATOM 1005 O ASP A 66 -13.051 -8.625 -9.832 1.00 52.35 O ATOM 1006 CB ASP A 66 -13.847 -10.501 -12.352 1.00 14.11 C ATOM 1007 CG ASP A 66 -13.844 -10.889 -13.818 1.00 13.22 C ATOM 1008 OD1 ASP A 66 -13.623 -9.999 -14.666 1.00 40.33 O ATOM 1009 OD2 ASP A 66 -14.065 -12.081 -14.117 1.00 3.14 O ATOM 0 H ASP A 66 -11.417 -10.189 -10.371 1.00 65.20 H new ATOM 0 HA ASP A 66 -12.224 -9.199 -12.882 1.00 30.34 H new ATOM 0 HB2 ASP A 66 -13.845 -11.403 -11.740 1.00 14.11 H new ATOM 0 HB3 ASP A 66 -14.767 -9.962 -12.123 1.00 14.11 H new ATOM 1014 N CYS A 67 -13.510 -7.389 -11.656 1.00 74.21 N ATOM 1015 CA CYS A 67 -13.960 -6.231 -10.893 1.00 61.22 C ATOM 1016 C CYS A 67 -15.274 -6.529 -10.175 1.00 51.13 C ATOM 1017 O CYS A 67 -15.699 -5.777 -9.298 1.00 44.13 O ATOM 1018 CB CYS A 67 -14.133 -5.023 -11.815 1.00 51.23 C ATOM 1019 SG CYS A 67 -12.659 -3.959 -11.931 1.00 34.32 S ATOM 0 H CYS A 67 -13.548 -7.268 -12.668 1.00 74.21 H new ATOM 0 HA CYS A 67 -13.201 -6.003 -10.145 1.00 61.22 H new ATOM 0 HB2 CYS A 67 -14.393 -5.376 -12.813 1.00 51.23 H new ATOM 0 HB3 CYS A 67 -14.972 -4.425 -11.459 1.00 51.23 H new ATOM 0 HG CYS A 67 -12.390 -3.461 -10.761 1.00 34.32 H new ATOM 1024 N SER A 68 -15.912 -7.632 -10.555 1.00 40.32 N ATOM 1025 CA SER A 68 -17.179 -8.028 -9.951 1.00 64.25 C ATOM 1026 C SER A 68 -16.945 -8.770 -8.639 1.00 31.52 C ATOM 1027 O SER A 68 -17.616 -8.513 -7.638 1.00 44.21 O ATOM 1028 CB SER A 68 -17.974 -8.911 -10.915 1.00 52.25 C ATOM 1029 OG SER A 68 -18.964 -8.160 -11.595 1.00 10.14 O ATOM 0 H SER A 68 -15.572 -8.267 -11.278 1.00 40.32 H new ATOM 0 HA SER A 68 -17.752 -7.125 -9.741 1.00 64.25 H new ATOM 0 HB2 SER A 68 -17.297 -9.366 -11.638 1.00 52.25 H new ATOM 0 HB3 SER A 68 -18.445 -9.725 -10.363 1.00 52.25 H new ATOM 0 HG SER A 68 -19.457 -8.746 -12.206 1.00 10.14 H new ATOM 1035 N LYS A 69 -15.990 -9.693 -8.650 1.00 64.44 N ATOM 1036 CA LYS A 69 -15.666 -10.474 -7.462 1.00 4.11 C ATOM 1037 C LYS A 69 -15.427 -9.564 -6.261 1.00 40.15 C ATOM 1038 O LYS A 69 -14.844 -8.488 -6.392 1.00 71.40 O ATOM 1039 CB LYS A 69 -14.426 -11.337 -7.716 1.00 35.14 C ATOM 1040 CG LYS A 69 -13.129 -10.549 -7.720 1.00 5.21 C ATOM 1041 CD LYS A 69 -12.332 -10.780 -6.447 1.00 41.25 C ATOM 1042 CE LYS A 69 -11.722 -9.486 -5.929 1.00 31.50 C ATOM 1043 NZ LYS A 69 -10.415 -9.189 -6.578 1.00 61.35 N ATOM 0 H LYS A 69 -15.426 -9.919 -9.469 1.00 64.44 H new ATOM 0 HA LYS A 69 -16.514 -11.122 -7.242 1.00 4.11 H new ATOM 0 HB2 LYS A 69 -14.369 -12.111 -6.951 1.00 35.14 H new ATOM 0 HB3 LYS A 69 -14.536 -11.844 -8.674 1.00 35.14 H new ATOM 0 HG2 LYS A 69 -12.529 -10.838 -8.583 1.00 5.21 H new ATOM 0 HG3 LYS A 69 -13.348 -9.486 -7.825 1.00 5.21 H new ATOM 0 HD2 LYS A 69 -12.981 -11.209 -5.683 1.00 41.25 H new ATOM 0 HD3 LYS A 69 -11.541 -11.505 -6.638 1.00 41.25 H new ATOM 0 HE2 LYS A 69 -12.412 -8.662 -6.109 1.00 31.50 H new ATOM 0 HE3 LYS A 69 -11.584 -9.556 -4.850 1.00 31.50 H new ATOM 0 HZ1 LYS A 69 -9.690 -9.043 -5.847 1.00 61.35 H new ATOM 0 HZ2 LYS A 69 -10.139 -9.988 -7.184 1.00 61.35 H new ATOM 0 HZ3 LYS A 69 -10.502 -8.329 -7.156 1.00 61.35 H new ATOM 1057 N SER A 70 -15.881 -10.004 -5.092 1.00 4.30 N ATOM 1058 CA SER A 70 -15.719 -9.228 -3.869 1.00 4.04 C ATOM 1059 C SER A 70 -14.256 -9.194 -3.436 1.00 21.22 C ATOM 1060 O SER A 70 -13.491 -10.112 -3.729 1.00 51.11 O ATOM 1061 CB SER A 70 -16.580 -9.815 -2.748 1.00 53.24 C ATOM 1062 OG SER A 70 -17.717 -10.478 -3.274 1.00 40.51 O ATOM 0 H SER A 70 -16.364 -10.894 -4.966 1.00 4.30 H new ATOM 0 HA SER A 70 -16.044 -8.208 -4.071 1.00 4.04 H new ATOM 0 HB2 SER A 70 -15.988 -10.514 -2.158 1.00 53.24 H new ATOM 0 HB3 SER A 70 -16.898 -9.019 -2.074 1.00 53.24 H new ATOM 0 HG SER A 70 -17.504 -11.422 -3.426 1.00 40.51 H new ATOM 1068 N GLN A 71 -13.876 -8.129 -2.737 1.00 74.22 N ATOM 1069 CA GLN A 71 -12.505 -7.975 -2.265 1.00 21.31 C ATOM 1070 C GLN A 71 -12.037 -9.230 -1.535 1.00 45.23 C ATOM 1071 O GLN A 71 -12.849 -10.051 -1.109 1.00 3.52 O ATOM 1072 CB GLN A 71 -12.395 -6.761 -1.341 1.00 25.43 C ATOM 1073 CG GLN A 71 -10.962 -6.354 -1.039 1.00 53.22 C ATOM 1074 CD GLN A 71 -10.843 -4.900 -0.627 1.00 14.01 C ATOM 1075 OE1 GLN A 71 -11.816 -4.147 -0.679 1.00 14.43 O ATOM 1076 NE2 GLN A 71 -9.647 -4.497 -0.214 1.00 50.21 N ATOM 0 H GLN A 71 -14.498 -7.361 -2.485 1.00 74.22 H new ATOM 0 HA GLN A 71 -11.863 -7.821 -3.132 1.00 21.31 H new ATOM 0 HB2 GLN A 71 -12.914 -5.919 -1.798 1.00 25.43 H new ATOM 0 HB3 GLN A 71 -12.907 -6.981 -0.404 1.00 25.43 H new ATOM 0 HG2 GLN A 71 -10.569 -6.987 -0.243 1.00 53.22 H new ATOM 0 HG3 GLN A 71 -10.345 -6.530 -1.920 1.00 53.22 H new ATOM 0 HE21 GLN A 71 -8.868 -5.155 -0.187 1.00 50.21 H new ATOM 0 HE22 GLN A 71 -9.507 -3.529 0.076 1.00 50.21 H new ATOM 1085 N GLU A 72 -10.722 -9.371 -1.395 1.00 34.41 N ATOM 1086 CA GLU A 72 -10.147 -10.527 -0.717 1.00 1.33 C ATOM 1087 C GLU A 72 -10.168 -10.336 0.797 1.00 52.20 C ATOM 1088 O GLU A 72 -10.672 -11.184 1.533 1.00 70.40 O ATOM 1089 CB GLU A 72 -8.711 -10.762 -1.192 1.00 74.24 C ATOM 1090 CG GLU A 72 -8.589 -10.928 -2.698 1.00 21.40 C ATOM 1091 CD GLU A 72 -7.787 -12.156 -3.085 1.00 52.03 C ATOM 1092 OE1 GLU A 72 -6.570 -12.182 -2.805 1.00 70.20 O ATOM 1093 OE2 GLU A 72 -8.376 -13.090 -3.669 1.00 21.20 O ATOM 0 H GLU A 72 -10.036 -8.700 -1.742 1.00 34.41 H new ATOM 0 HA GLU A 72 -10.752 -11.399 -0.964 1.00 1.33 H new ATOM 0 HB2 GLU A 72 -8.090 -9.924 -0.876 1.00 74.24 H new ATOM 0 HB3 GLU A 72 -8.316 -11.653 -0.703 1.00 74.24 H new ATOM 0 HG2 GLU A 72 -9.585 -10.997 -3.134 1.00 21.40 H new ATOM 0 HG3 GLU A 72 -8.116 -10.041 -3.121 1.00 21.40 H new ATOM 1100 N MET A 73 -9.617 -9.216 1.254 1.00 72.31 N ATOM 1101 CA MET A 73 -9.573 -8.913 2.679 1.00 32.33 C ATOM 1102 C MET A 73 -10.207 -7.556 2.967 1.00 71.32 C ATOM 1103 O MET A 73 -10.483 -6.783 2.050 1.00 53.41 O ATOM 1104 CB MET A 73 -8.129 -8.932 3.183 1.00 50.44 C ATOM 1105 CG MET A 73 -7.566 -10.331 3.364 1.00 2.04 C ATOM 1106 SD MET A 73 -6.355 -10.425 4.697 1.00 23.13 S ATOM 1107 CE MET A 73 -5.437 -8.911 4.427 1.00 4.31 C ATOM 0 H MET A 73 -9.195 -8.504 0.658 1.00 72.31 H new ATOM 0 HA MET A 73 -10.143 -9.679 3.205 1.00 32.33 H new ATOM 0 HB2 MET A 73 -7.501 -8.385 2.480 1.00 50.44 H new ATOM 0 HB3 MET A 73 -8.078 -8.403 4.135 1.00 50.44 H new ATOM 0 HG2 MET A 73 -8.382 -11.023 3.570 1.00 2.04 H new ATOM 0 HG3 MET A 73 -7.101 -10.655 2.433 1.00 2.04 H new ATOM 0 HE1 MET A 73 -4.403 -9.052 4.740 1.00 4.31 H new ATOM 0 HE2 MET A 73 -5.464 -8.653 3.368 1.00 4.31 H new ATOM 0 HE3 MET A 73 -5.885 -8.105 5.008 1.00 4.31 H new ATOM 1117 N SER A 74 -10.436 -7.273 4.246 1.00 51.21 N ATOM 1118 CA SER A 74 -11.041 -6.010 4.652 1.00 3.12 C ATOM 1119 C SER A 74 -9.994 -4.903 4.721 1.00 22.23 C ATOM 1120 O SER A 74 -8.819 -5.160 4.982 1.00 33.24 O ATOM 1121 CB SER A 74 -11.727 -6.164 6.011 1.00 23.14 C ATOM 1122 OG SER A 74 -12.595 -7.285 6.021 1.00 43.13 O ATOM 0 H SER A 74 -10.212 -7.901 5.018 1.00 51.21 H new ATOM 0 HA SER A 74 -11.786 -5.735 3.905 1.00 3.12 H new ATOM 0 HB2 SER A 74 -10.974 -6.276 6.791 1.00 23.14 H new ATOM 0 HB3 SER A 74 -12.292 -5.261 6.241 1.00 23.14 H new ATOM 0 HG SER A 74 -13.019 -7.362 6.901 1.00 43.13 H new ATOM 1128 N ASN A 75 -10.429 -3.670 4.485 1.00 50.21 N ATOM 1129 CA ASN A 75 -9.530 -2.522 4.519 1.00 73.22 C ATOM 1130 C ASN A 75 -8.713 -2.509 5.807 1.00 32.24 C ATOM 1131 O ASN A 75 -7.518 -2.216 5.793 1.00 73.44 O ATOM 1132 CB ASN A 75 -10.326 -1.221 4.392 1.00 64.42 C ATOM 1133 CG ASN A 75 -10.561 -0.825 2.946 1.00 24.33 C ATOM 1134 OD1 ASN A 75 -11.701 -0.667 2.512 1.00 33.24 O ATOM 1135 ND2 ASN A 75 -9.479 -0.664 2.194 1.00 44.10 N ATOM 0 H ASN A 75 -11.399 -3.440 4.268 1.00 50.21 H new ATOM 0 HA ASN A 75 -8.844 -2.604 3.676 1.00 73.22 H new ATOM 0 HB2 ASN A 75 -11.286 -1.335 4.895 1.00 64.42 H new ATOM 0 HB3 ASN A 75 -9.792 -0.420 4.903 1.00 64.42 H new ATOM 0 HD21 ASN A 75 -9.574 -0.399 1.214 1.00 44.10 H new ATOM 0 HD22 ASN A 75 -8.553 -0.806 2.596 1.00 44.10 H new ATOM 1142 N GLU A 76 -9.368 -2.828 6.920 1.00 70.30 N ATOM 1143 CA GLU A 76 -8.702 -2.852 8.216 1.00 34.34 C ATOM 1144 C GLU A 76 -7.553 -3.857 8.220 1.00 72.11 C ATOM 1145 O GLU A 76 -6.442 -3.542 8.643 1.00 43.23 O ATOM 1146 CB GLU A 76 -9.702 -3.200 9.321 1.00 4.31 C ATOM 1147 CG GLU A 76 -10.489 -4.471 9.052 1.00 54.23 C ATOM 1148 CD GLU A 76 -11.922 -4.385 9.542 1.00 32.14 C ATOM 1149 OE1 GLU A 76 -12.730 -3.688 8.893 1.00 2.15 O ATOM 1150 OE2 GLU A 76 -12.235 -5.014 10.574 1.00 2.34 O ATOM 0 H GLU A 76 -10.358 -3.073 6.949 1.00 70.30 H new ATOM 0 HA GLU A 76 -8.293 -1.859 8.404 1.00 34.34 H new ATOM 0 HB2 GLU A 76 -9.166 -3.308 10.264 1.00 4.31 H new ATOM 0 HB3 GLU A 76 -10.399 -2.371 9.443 1.00 4.31 H new ATOM 0 HG2 GLU A 76 -10.487 -4.675 7.981 1.00 54.23 H new ATOM 0 HG3 GLU A 76 -9.993 -5.311 9.538 1.00 54.23 H new ATOM 1157 N GLU A 77 -7.832 -5.067 7.745 1.00 23.43 N ATOM 1158 CA GLU A 77 -6.823 -6.118 7.695 1.00 31.22 C ATOM 1159 C GLU A 77 -5.641 -5.696 6.827 1.00 71.25 C ATOM 1160 O GLU A 77 -4.484 -5.911 7.188 1.00 20.40 O ATOM 1161 CB GLU A 77 -7.431 -7.415 7.155 1.00 54.43 C ATOM 1162 CG GLU A 77 -8.537 -7.979 8.030 1.00 63.41 C ATOM 1163 CD GLU A 77 -8.549 -9.495 8.049 1.00 1.11 C ATOM 1164 OE1 GLU A 77 -7.505 -10.092 8.386 1.00 61.24 O ATOM 1165 OE2 GLU A 77 -9.602 -10.085 7.727 1.00 41.31 O ATOM 0 H GLU A 77 -8.747 -5.343 7.390 1.00 23.43 H new ATOM 0 HA GLU A 77 -6.463 -6.290 8.709 1.00 31.22 H new ATOM 0 HB2 GLU A 77 -7.827 -7.232 6.156 1.00 54.43 H new ATOM 0 HB3 GLU A 77 -6.643 -8.161 7.054 1.00 54.43 H new ATOM 0 HG2 GLU A 77 -8.415 -7.607 9.047 1.00 63.41 H new ATOM 0 HG3 GLU A 77 -9.500 -7.616 7.671 1.00 63.41 H new ATOM 1172 N ILE A 78 -5.942 -5.096 5.679 1.00 33.54 N ATOM 1173 CA ILE A 78 -4.906 -4.644 4.760 1.00 63.40 C ATOM 1174 C ILE A 78 -4.090 -3.508 5.366 1.00 41.41 C ATOM 1175 O ILE A 78 -2.861 -3.512 5.308 1.00 74.21 O ATOM 1176 CB ILE A 78 -5.507 -4.174 3.422 1.00 11.41 C ATOM 1177 CG1 ILE A 78 -6.418 -5.255 2.838 1.00 45.14 C ATOM 1178 CG2 ILE A 78 -4.401 -3.818 2.441 1.00 43.32 C ATOM 1179 CD1 ILE A 78 -7.325 -4.752 1.737 1.00 41.32 C ATOM 0 H ILE A 78 -6.895 -4.912 5.364 1.00 33.54 H new ATOM 0 HA ILE A 78 -4.253 -5.497 4.576 1.00 63.40 H new ATOM 0 HB ILE A 78 -6.106 -3.282 3.604 1.00 11.41 H new ATOM 0 HG12 ILE A 78 -5.802 -6.066 2.448 1.00 45.14 H new ATOM 0 HG13 ILE A 78 -7.029 -5.675 3.637 1.00 45.14 H new ATOM 0 HG21 ILE A 78 -4.841 -3.488 1.500 1.00 43.32 H new ATOM 0 HG22 ILE A 78 -3.790 -3.017 2.857 1.00 43.32 H new ATOM 0 HG23 ILE A 78 -3.778 -4.694 2.262 1.00 43.32 H new ATOM 0 HD11 ILE A 78 -7.942 -5.572 1.371 1.00 41.32 H new ATOM 0 HD12 ILE A 78 -7.966 -3.962 2.127 1.00 41.32 H new ATOM 0 HD13 ILE A 78 -6.721 -4.359 0.919 1.00 41.32 H new ATOM 1191 N ASN A 79 -4.783 -2.535 5.949 1.00 31.54 N ATOM 1192 CA ASN A 79 -4.122 -1.392 6.569 1.00 34.01 C ATOM 1193 C ASN A 79 -3.159 -1.846 7.660 1.00 5.50 C ATOM 1194 O ASN A 79 -2.047 -1.330 7.773 1.00 32.31 O ATOM 1195 CB ASN A 79 -5.161 -0.433 7.156 1.00 24.13 C ATOM 1196 CG ASN A 79 -5.001 -0.254 8.653 1.00 21.52 C ATOM 1197 OD1 ASN A 79 -4.171 0.532 9.111 1.00 52.00 O ATOM 1198 ND2 ASN A 79 -5.797 -0.986 9.425 1.00 24.22 N ATOM 0 H ASN A 79 -5.801 -2.515 6.005 1.00 31.54 H new ATOM 0 HA ASN A 79 -3.551 -0.873 5.799 1.00 34.01 H new ATOM 0 HB2 ASN A 79 -5.075 0.537 6.666 1.00 24.13 H new ATOM 0 HB3 ASN A 79 -6.161 -0.810 6.943 1.00 24.13 H new ATOM 0 HD21 ASN A 79 -5.734 -0.909 10.440 1.00 24.22 H new ATOM 0 HD22 ASN A 79 -6.471 -1.625 9.002 1.00 24.22 H new ATOM 1205 N GLU A 80 -3.593 -2.813 8.462 1.00 61.44 N ATOM 1206 CA GLU A 80 -2.767 -3.337 9.544 1.00 15.32 C ATOM 1207 C GLU A 80 -1.683 -4.263 9.002 1.00 45.34 C ATOM 1208 O GLU A 80 -0.607 -4.383 9.587 1.00 65.02 O ATOM 1209 CB GLU A 80 -3.633 -4.086 10.558 1.00 22.11 C ATOM 1210 CG GLU A 80 -4.207 -5.388 10.025 1.00 30.13 C ATOM 1211 CD GLU A 80 -4.842 -6.235 11.111 1.00 52.21 C ATOM 1212 OE1 GLU A 80 -4.093 -6.826 11.917 1.00 72.44 O ATOM 1213 OE2 GLU A 80 -6.088 -6.305 11.157 1.00 74.23 O ATOM 0 H GLU A 80 -4.512 -3.249 8.383 1.00 61.44 H new ATOM 0 HA GLU A 80 -2.285 -2.494 10.040 1.00 15.32 H new ATOM 0 HB2 GLU A 80 -3.037 -4.298 11.446 1.00 22.11 H new ATOM 0 HB3 GLU A 80 -4.452 -3.439 10.871 1.00 22.11 H new ATOM 0 HG2 GLU A 80 -4.952 -5.166 9.261 1.00 30.13 H new ATOM 0 HG3 GLU A 80 -3.414 -5.959 9.541 1.00 30.13 H new ATOM 1220 N GLU A 81 -1.975 -4.915 7.881 1.00 4.32 N ATOM 1221 CA GLU A 81 -1.024 -5.831 7.261 1.00 22.51 C ATOM 1222 C GLU A 81 0.217 -5.084 6.780 1.00 74.33 C ATOM 1223 O GLU A 81 1.344 -5.452 7.112 1.00 3.35 O ATOM 1224 CB GLU A 81 -1.679 -6.564 6.089 1.00 64.23 C ATOM 1225 CG GLU A 81 -0.756 -7.555 5.397 1.00 14.44 C ATOM 1226 CD GLU A 81 -0.009 -8.437 6.377 1.00 21.45 C ATOM 1227 OE1 GLU A 81 -0.624 -9.384 6.910 1.00 35.42 O ATOM 1228 OE2 GLU A 81 1.191 -8.182 6.613 1.00 51.12 O ATOM 0 H GLU A 81 -2.861 -4.826 7.384 1.00 4.32 H new ATOM 0 HA GLU A 81 -0.719 -6.560 8.011 1.00 22.51 H new ATOM 0 HB2 GLU A 81 -2.561 -7.093 6.450 1.00 64.23 H new ATOM 0 HB3 GLU A 81 -2.023 -5.831 5.360 1.00 64.23 H new ATOM 0 HG2 GLU A 81 -1.341 -8.181 4.723 1.00 14.44 H new ATOM 0 HG3 GLU A 81 -0.038 -7.010 4.784 1.00 14.44 H new ATOM 1235 N LEU A 82 0.000 -4.035 5.993 1.00 25.44 N ATOM 1236 CA LEU A 82 1.100 -3.236 5.465 1.00 40.13 C ATOM 1237 C LEU A 82 1.602 -2.243 6.507 1.00 30.24 C ATOM 1238 O LEU A 82 2.774 -1.872 6.512 1.00 44.21 O ATOM 1239 CB LEU A 82 0.655 -2.491 4.206 1.00 54.12 C ATOM 1240 CG LEU A 82 0.115 -3.358 3.067 1.00 33.12 C ATOM 1241 CD1 LEU A 82 -1.341 -3.020 2.784 1.00 52.14 C ATOM 1242 CD2 LEU A 82 0.960 -3.179 1.814 1.00 23.13 C ATOM 0 H LEU A 82 -0.927 -3.719 5.707 1.00 25.44 H new ATOM 0 HA LEU A 82 1.918 -3.911 5.211 1.00 40.13 H new ATOM 0 HB2 LEU A 82 -0.116 -1.773 4.486 1.00 54.12 H new ATOM 0 HB3 LEU A 82 1.502 -1.918 3.829 1.00 54.12 H new ATOM 0 HG LEU A 82 0.171 -4.403 3.372 1.00 33.12 H new ATOM 0 HD11 LEU A 82 -1.709 -3.646 1.971 1.00 52.14 H new ATOM 0 HD12 LEU A 82 -1.937 -3.200 3.679 1.00 52.14 H new ATOM 0 HD13 LEU A 82 -1.422 -1.971 2.499 1.00 52.14 H new ATOM 0 HD21 LEU A 82 0.561 -3.803 1.014 1.00 23.13 H new ATOM 0 HD22 LEU A 82 0.936 -2.134 1.505 1.00 23.13 H new ATOM 0 HD23 LEU A 82 1.989 -3.472 2.024 1.00 23.13 H new ATOM 1254 N GLY A 83 0.704 -1.816 7.392 1.00 63.45 N ATOM 1255 CA GLY A 83 1.076 -0.872 8.429 1.00 54.14 C ATOM 1256 C GLY A 83 0.859 0.568 8.006 1.00 62.52 C ATOM 1257 O GLY A 83 1.599 1.461 8.418 1.00 53.41 O ATOM 0 H GLY A 83 -0.273 -2.107 7.408 1.00 63.45 H new ATOM 0 HA2 GLY A 83 0.493 -1.075 9.327 1.00 54.14 H new ATOM 0 HA3 GLY A 83 2.124 -1.017 8.689 1.00 54.14 H new ATOM 1261 N ILE A 84 -0.158 0.793 7.180 1.00 53.50 N ATOM 1262 CA ILE A 84 -0.470 2.134 6.701 1.00 42.31 C ATOM 1263 C ILE A 84 -1.697 2.699 7.407 1.00 3.03 C ATOM 1264 O ILE A 84 -2.241 2.078 8.321 1.00 53.32 O ATOM 1265 CB ILE A 84 -0.715 2.146 5.181 1.00 75.31 C ATOM 1266 CG1 ILE A 84 -1.921 1.271 4.830 1.00 4.32 C ATOM 1267 CG2 ILE A 84 0.526 1.670 4.440 1.00 33.51 C ATOM 1268 CD1 ILE A 84 -2.254 1.265 3.355 1.00 45.35 C ATOM 0 H ILE A 84 -0.779 0.064 6.829 1.00 53.50 H new ATOM 0 HA ILE A 84 0.395 2.758 6.926 1.00 42.31 H new ATOM 0 HB ILE A 84 -0.929 3.169 4.870 1.00 75.31 H new ATOM 0 HG12 ILE A 84 -1.725 0.249 5.154 1.00 4.32 H new ATOM 0 HG13 ILE A 84 -2.789 1.621 5.389 1.00 4.32 H new ATOM 0 HG21 ILE A 84 0.337 1.684 3.367 1.00 33.51 H new ATOM 0 HG22 ILE A 84 1.362 2.330 4.670 1.00 33.51 H new ATOM 0 HG23 ILE A 84 0.769 0.654 4.752 1.00 33.51 H new ATOM 0 HD11 ILE A 84 -3.119 0.625 3.180 1.00 45.35 H new ATOM 0 HD12 ILE A 84 -2.482 2.280 3.029 1.00 45.35 H new ATOM 0 HD13 ILE A 84 -1.402 0.886 2.791 1.00 45.35 H new ATOM 1280 N GLY A 85 -2.129 3.880 6.977 1.00 35.51 N ATOM 1281 CA GLY A 85 -3.291 4.509 7.579 1.00 75.54 C ATOM 1282 C GLY A 85 -4.411 4.733 6.581 1.00 62.42 C ATOM 1283 O GLY A 85 -4.754 5.873 6.271 1.00 50.31 O ATOM 0 H GLY A 85 -1.696 4.413 6.223 1.00 35.51 H new ATOM 0 HA2 GLY A 85 -3.655 3.886 8.396 1.00 75.54 H new ATOM 0 HA3 GLY A 85 -2.999 5.465 8.013 1.00 75.54 H new ATOM 1287 N GLN A 86 -4.980 3.642 6.076 1.00 5.24 N ATOM 1288 CA GLN A 86 -6.065 3.726 5.107 1.00 51.33 C ATOM 1289 C GLN A 86 -7.180 4.634 5.614 1.00 52.14 C ATOM 1290 O GLN A 86 -7.239 4.958 6.800 1.00 64.44 O ATOM 1291 CB GLN A 86 -6.621 2.332 4.811 1.00 51.14 C ATOM 1292 CG GLN A 86 -6.181 1.774 3.466 1.00 4.03 C ATOM 1293 CD GLN A 86 -6.199 0.259 3.430 1.00 23.22 C ATOM 1294 OE1 GLN A 86 -7.108 -0.376 3.964 1.00 23.03 O ATOM 1295 NE2 GLN A 86 -5.191 -0.330 2.797 1.00 25.21 N ATOM 0 H GLN A 86 -4.707 2.691 6.322 1.00 5.24 H new ATOM 0 HA GLN A 86 -5.665 4.153 4.188 1.00 51.33 H new ATOM 0 HB2 GLN A 86 -6.305 1.649 5.599 1.00 51.14 H new ATOM 0 HB3 GLN A 86 -7.710 2.370 4.840 1.00 51.14 H new ATOM 0 HG2 GLN A 86 -6.836 2.160 2.685 1.00 4.03 H new ATOM 0 HG3 GLN A 86 -5.174 2.127 3.242 1.00 4.03 H new ATOM 0 HE21 GLN A 86 -4.458 0.235 2.368 1.00 25.21 H new ATOM 0 HE22 GLN A 86 -5.150 -1.348 2.740 1.00 25.21 H new