USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 CYS SG : rot 149:sc= -0.271 USER MOD Set 1.2: A 34 CYS SG : rot -46:sc= 0.391 USER MOD Set 1.3: A 56 CYS SG : rot 118:sc= 0.0738 USER MOD Set 1.4: A 57 MET CE :methyl -179:sc= -0.735 (180deg=-0.633) USER MOD Set 1.5: A 67 CYS SG : rot -64:sc= 0.0981 USER MOD Single : A 26 SER OG : rot 21:sc= 0.335 USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= -0.33 (180deg=-1.02) 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= -2.99! K(o=-3!,f=-1.2) USER MOD Single : A 59 ASN : amide:sc= 1.33 K(o=1.3,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+ 167:sc= -1.26 (180deg=-2.01) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0416 USER MOD Single : A 71 GLN : amide:sc= -2.58 K(o=-2.6,f=-3.1) USER MOD Single : A 73 MET CE :methyl -166:sc= -0.662 (180deg=-1.11) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.545 X(o=-0.54,f=-0.41) USER MOD Single : A 79 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.34!) USER MOD Single : A 86 GLN : amide:sc= -3.16 K(o=-3.2,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.821 -11.868 -0.531 1.00 75.14 N ATOM 367 CA SER A 26 3.590 -11.400 -1.159 1.00 3.25 C ATOM 368 C SER A 26 3.543 -9.875 -1.191 1.00 43.42 C ATOM 369 O SER A 26 3.875 -9.212 -0.209 1.00 30.24 O ATOM 370 CB SER A 26 2.372 -11.942 -0.408 1.00 62.32 C ATOM 371 OG SER A 26 2.562 -13.299 -0.041 1.00 12.24 O ATOM 0 HA SER A 26 3.571 -11.769 -2.184 1.00 3.25 H new ATOM 0 HB2 SER A 26 2.194 -11.342 0.484 1.00 62.32 H new ATOM 0 HB3 SER A 26 1.485 -11.852 -1.035 1.00 62.32 H new ATOM 0 HG SER A 26 3.520 -13.507 -0.042 1.00 12.24 H new ATOM 377 N ALA A 27 3.129 -9.326 -2.328 1.00 71.34 N ATOM 378 CA ALA A 27 3.037 -7.881 -2.490 1.00 33.14 C ATOM 379 C ALA A 27 1.585 -7.436 -2.632 1.00 73.33 C ATOM 380 O ALA A 27 0.718 -8.226 -3.005 1.00 53.15 O ATOM 381 CB ALA A 27 3.848 -7.431 -3.695 1.00 44.24 C ATOM 0 H ALA A 27 2.852 -9.861 -3.151 1.00 71.34 H new ATOM 0 HA ALA A 27 3.448 -7.414 -1.595 1.00 33.14 H new ATOM 0 HB1 ALA A 27 3.769 -6.349 -3.803 1.00 44.24 H new ATOM 0 HB2 ALA A 27 4.893 -7.707 -3.554 1.00 44.24 H new ATOM 0 HB3 ALA A 27 3.464 -7.914 -4.593 1.00 44.24 H new ATOM 387 N TRP A 28 1.327 -6.168 -2.332 1.00 45.24 N ATOM 388 CA TRP A 28 -0.020 -5.619 -2.426 1.00 33.43 C ATOM 389 C TRP A 28 -0.173 -4.761 -3.678 1.00 22.52 C ATOM 390 O TRP A 28 0.621 -3.853 -3.919 1.00 3.32 O ATOM 391 CB TRP A 28 -0.344 -4.791 -1.182 1.00 50.31 C ATOM 392 CG TRP A 28 -0.948 -5.597 -0.072 1.00 10.34 C ATOM 393 CD1 TRP A 28 -0.385 -5.873 1.140 1.00 4.33 C ATOM 394 CD2 TRP A 28 -2.232 -6.230 -0.074 1.00 63.44 C ATOM 395 NE1 TRP A 28 -1.240 -6.641 1.893 1.00 43.12 N ATOM 396 CE2 TRP A 28 -2.380 -6.874 1.170 1.00 32.23 C ATOM 397 CE3 TRP A 28 -3.271 -6.316 -1.004 1.00 42.23 C ATOM 398 CZ2 TRP A 28 -3.525 -7.591 1.504 1.00 22.53 C ATOM 399 CZ3 TRP A 28 -4.406 -7.030 -0.672 1.00 12.21 C ATOM 400 CH2 TRP A 28 -4.527 -7.659 0.574 1.00 1.13 C ATOM 0 H TRP A 28 2.033 -5.501 -2.022 1.00 45.24 H new ATOM 0 HA TRP A 28 -0.720 -6.452 -2.492 1.00 33.43 H new ATOM 0 HB2 TRP A 28 0.569 -4.317 -0.822 1.00 50.31 H new ATOM 0 HB3 TRP A 28 -1.032 -3.991 -1.456 1.00 50.31 H new ATOM 0 HD1 TRP A 28 0.590 -5.537 1.460 1.00 4.33 H new ATOM 0 HE1 TRP A 28 -1.056 -6.982 2.837 1.00 43.12 H new ATOM 0 HE3 TRP A 28 -3.188 -5.832 -1.966 1.00 42.23 H new ATOM 0 HZ2 TRP A 28 -3.620 -8.077 2.464 1.00 22.53 H new ATOM 0 HZ3 TRP A 28 -5.214 -7.105 -1.385 1.00 12.21 H new ATOM 0 HH2 TRP A 28 -5.428 -8.208 0.805 1.00 1.13 H new ATOM 411 N VAL A 29 -1.198 -5.056 -4.470 1.00 53.42 N ATOM 412 CA VAL A 29 -1.455 -4.309 -5.697 1.00 24.33 C ATOM 413 C VAL A 29 -2.876 -3.757 -5.717 1.00 22.02 C ATOM 414 O VAL A 29 -3.802 -4.381 -5.199 1.00 72.12 O ATOM 415 CB VAL A 29 -1.240 -5.188 -6.944 1.00 3.23 C ATOM 416 CG1 VAL A 29 -2.253 -6.321 -6.980 1.00 72.52 C ATOM 417 CG2 VAL A 29 -1.323 -4.346 -8.208 1.00 24.12 C ATOM 0 H VAL A 29 -1.864 -5.806 -4.285 1.00 53.42 H new ATOM 0 HA VAL A 29 -0.746 -3.481 -5.718 1.00 24.33 H new ATOM 0 HB VAL A 29 -0.244 -5.627 -6.891 1.00 3.23 H new ATOM 0 HG11 VAL A 29 -2.085 -6.931 -7.868 1.00 72.52 H new ATOM 0 HG12 VAL A 29 -2.140 -6.938 -6.089 1.00 72.52 H new ATOM 0 HG13 VAL A 29 -3.261 -5.907 -7.009 1.00 72.52 H new ATOM 0 HG21 VAL A 29 -1.169 -4.982 -9.080 1.00 24.12 H new ATOM 0 HG22 VAL A 29 -2.305 -3.878 -8.269 1.00 24.12 H new ATOM 0 HG23 VAL A 29 -0.554 -3.574 -8.182 1.00 24.12 H new ATOM 427 N ARG A 30 -3.040 -2.583 -6.318 1.00 32.35 N ATOM 428 CA ARG A 30 -4.348 -1.946 -6.405 1.00 32.44 C ATOM 429 C ARG A 30 -4.871 -1.972 -7.838 1.00 11.31 C ATOM 430 O ARG A 30 -4.104 -1.840 -8.792 1.00 62.43 O ATOM 431 CB ARG A 30 -4.271 -0.502 -5.904 1.00 62.33 C ATOM 432 CG ARG A 30 -5.628 0.167 -5.763 1.00 3.11 C ATOM 433 CD ARG A 30 -5.603 1.593 -6.289 1.00 1.50 C ATOM 434 NE ARG A 30 -5.383 1.641 -7.732 1.00 1.50 N ATOM 435 CZ ARG A 30 -5.020 2.740 -8.385 1.00 33.34 C ATOM 436 NH1 ARG A 30 -4.838 3.876 -7.726 1.00 24.20 N ATOM 437 NH2 ARG A 30 -4.841 2.704 -9.698 1.00 44.03 N ATOM 0 H ARG A 30 -2.283 -2.054 -6.752 1.00 32.35 H new ATOM 0 HA ARG A 30 -5.039 -2.505 -5.774 1.00 32.44 H new ATOM 0 HB2 ARG A 30 -3.766 -0.488 -4.938 1.00 62.33 H new ATOM 0 HB3 ARG A 30 -3.658 0.080 -6.592 1.00 62.33 H new ATOM 0 HG2 ARG A 30 -6.377 -0.409 -6.306 1.00 3.11 H new ATOM 0 HG3 ARG A 30 -5.926 0.170 -4.715 1.00 3.11 H new ATOM 0 HD2 ARG A 30 -6.546 2.084 -6.050 1.00 1.50 H new ATOM 0 HD3 ARG A 30 -4.815 2.152 -5.784 1.00 1.50 H new ATOM 0 HE ARG A 30 -5.515 0.784 -8.268 1.00 1.50 H new ATOM 0 HH11 ARG A 30 -4.977 3.907 -6.716 1.00 24.20 H new ATOM 0 HH12 ARG A 30 -4.559 4.718 -8.229 1.00 24.20 H new ATOM 0 HH21 ARG A 30 -4.982 1.832 -10.208 1.00 44.03 H new ATOM 0 HH22 ARG A 30 -4.562 3.548 -10.198 1.00 44.03 H new ATOM 451 N CYS A 31 -6.181 -2.141 -7.982 1.00 1.35 N ATOM 452 CA CYS A 31 -6.807 -2.185 -9.297 1.00 53.33 C ATOM 453 C CYS A 31 -6.919 -0.785 -9.893 1.00 54.21 C ATOM 454 O CYS A 31 -7.198 0.182 -9.184 1.00 2.45 O ATOM 455 CB CYS A 31 -8.195 -2.823 -9.204 1.00 65.14 C ATOM 456 SG CYS A 31 -9.114 -2.837 -10.776 1.00 73.15 S ATOM 0 H CYS A 31 -6.830 -2.250 -7.203 1.00 1.35 H new ATOM 0 HA CYS A 31 -6.179 -2.791 -9.950 1.00 53.33 H new ATOM 0 HB2 CYS A 31 -8.089 -3.848 -8.849 1.00 65.14 H new ATOM 0 HB3 CYS A 31 -8.781 -2.286 -8.458 1.00 65.14 H new ATOM 0 HG CYS A 31 -9.885 -3.883 -10.819 1.00 73.15 H new ATOM 461 N ASP A 32 -6.701 -0.685 -11.200 1.00 1.33 N ATOM 462 CA ASP A 32 -6.779 0.597 -11.892 1.00 24.52 C ATOM 463 C ASP A 32 -8.162 0.802 -12.501 1.00 43.45 C ATOM 464 O ASP A 32 -8.294 1.355 -13.594 1.00 62.10 O ATOM 465 CB ASP A 32 -5.710 0.677 -12.983 1.00 43.13 C ATOM 466 CG ASP A 32 -5.153 2.077 -13.147 1.00 15.12 C ATOM 467 OD1 ASP A 32 -5.954 3.036 -13.159 1.00 52.11 O ATOM 468 OD2 ASP A 32 -3.918 2.215 -13.263 1.00 74.14 O ATOM 0 H ASP A 32 -6.469 -1.476 -11.801 1.00 1.33 H new ATOM 0 HA ASP A 32 -6.602 1.388 -11.163 1.00 24.52 H new ATOM 0 HB2 ASP A 32 -4.897 -0.008 -12.742 1.00 43.13 H new ATOM 0 HB3 ASP A 32 -6.136 0.346 -13.930 1.00 43.13 H new ATOM 473 N ASP A 33 -9.189 0.353 -11.789 1.00 12.33 N ATOM 474 CA ASP A 33 -10.563 0.488 -12.260 1.00 25.53 C ATOM 475 C ASP A 33 -11.515 0.735 -11.094 1.00 32.31 C ATOM 476 O ASP A 33 -12.405 1.583 -11.173 1.00 65.22 O ATOM 477 CB ASP A 33 -10.988 -0.767 -13.024 1.00 4.22 C ATOM 478 CG ASP A 33 -12.278 -0.567 -13.795 1.00 31.34 C ATOM 479 OD1 ASP A 33 -13.360 -0.744 -13.197 1.00 25.53 O ATOM 480 OD2 ASP A 33 -12.206 -0.234 -14.996 1.00 21.35 O ATOM 0 H ASP A 33 -9.097 -0.108 -10.884 1.00 12.33 H new ATOM 0 HA ASP A 33 -10.609 1.346 -12.931 1.00 25.53 H new ATOM 0 HB2 ASP A 33 -10.196 -1.053 -13.716 1.00 4.22 H new ATOM 0 HB3 ASP A 33 -11.112 -1.592 -12.322 1.00 4.22 H new ATOM 485 N CYS A 34 -11.323 -0.012 -10.010 1.00 52.15 N ATOM 486 CA CYS A 34 -12.165 0.124 -8.829 1.00 31.11 C ATOM 487 C CYS A 34 -11.336 0.535 -7.615 1.00 4.34 C ATOM 488 O CYS A 34 -11.880 0.898 -6.572 1.00 11.42 O ATOM 489 CB CYS A 34 -12.893 -1.191 -8.541 1.00 52.40 C ATOM 490 SG CYS A 34 -11.784 -2.616 -8.300 1.00 72.11 S ATOM 0 H CYS A 34 -10.591 -0.717 -9.927 1.00 52.15 H new ATOM 0 HA CYS A 34 -12.901 0.903 -9.026 1.00 31.11 H new ATOM 0 HB2 CYS A 34 -13.507 -1.067 -7.649 1.00 52.40 H new ATOM 0 HB3 CYS A 34 -13.571 -1.407 -9.367 1.00 52.40 H new ATOM 0 HG CYS A 34 -10.882 -2.627 -9.236 1.00 72.11 H new ATOM 495 N PHE A 35 -10.017 0.476 -7.760 1.00 44.11 N ATOM 496 CA PHE A 35 -9.112 0.841 -6.676 1.00 4.52 C ATOM 497 C PHE A 35 -9.287 -0.092 -5.482 1.00 34.01 C ATOM 498 O PHE A 35 -9.567 0.352 -4.368 1.00 63.11 O ATOM 499 CB PHE A 35 -9.355 2.289 -6.246 1.00 75.11 C ATOM 500 CG PHE A 35 -9.368 3.261 -7.391 1.00 74.53 C ATOM 501 CD1 PHE A 35 -10.542 3.527 -8.078 1.00 10.54 C ATOM 502 CD2 PHE A 35 -8.207 3.908 -7.782 1.00 40.21 C ATOM 503 CE1 PHE A 35 -10.557 4.421 -9.133 1.00 31.44 C ATOM 504 CE2 PHE A 35 -8.216 4.802 -8.835 1.00 14.22 C ATOM 505 CZ PHE A 35 -9.393 5.059 -9.512 1.00 21.23 C ATOM 0 H PHE A 35 -9.551 0.179 -8.617 1.00 44.11 H new ATOM 0 HA PHE A 35 -8.090 0.744 -7.042 1.00 4.52 H new ATOM 0 HB2 PHE A 35 -10.307 2.348 -5.719 1.00 75.11 H new ATOM 0 HB3 PHE A 35 -8.580 2.584 -5.538 1.00 75.11 H new ATOM 0 HD1 PHE A 35 -11.456 3.030 -7.786 1.00 10.54 H new ATOM 0 HD2 PHE A 35 -7.284 3.711 -7.257 1.00 40.21 H new ATOM 0 HE1 PHE A 35 -11.479 4.620 -9.660 1.00 31.44 H new ATOM 0 HE2 PHE A 35 -7.304 5.300 -9.129 1.00 14.22 H new ATOM 0 HZ PHE A 35 -9.402 5.757 -10.336 1.00 21.23 H new ATOM 515 N LYS A 36 -9.124 -1.388 -5.723 1.00 3.02 N ATOM 516 CA LYS A 36 -9.263 -2.387 -4.670 1.00 15.24 C ATOM 517 C LYS A 36 -7.928 -3.064 -4.382 1.00 23.01 C ATOM 518 O LYS A 36 -7.115 -3.264 -5.285 1.00 24.31 O ATOM 519 CB LYS A 36 -10.304 -3.436 -5.067 1.00 51.10 C ATOM 520 CG LYS A 36 -11.724 -3.064 -4.672 1.00 41.52 C ATOM 521 CD LYS A 36 -12.368 -4.147 -3.824 1.00 73.45 C ATOM 522 CE LYS A 36 -12.405 -5.480 -4.557 1.00 64.41 C ATOM 523 NZ LYS A 36 -13.782 -6.045 -4.614 1.00 15.44 N ATOM 0 H LYS A 36 -8.895 -1.772 -6.640 1.00 3.02 H new ATOM 0 HA LYS A 36 -9.595 -1.879 -3.765 1.00 15.24 H new ATOM 0 HB2 LYS A 36 -10.263 -3.586 -6.146 1.00 51.10 H new ATOM 0 HB3 LYS A 36 -10.044 -4.387 -4.603 1.00 51.10 H new ATOM 0 HG2 LYS A 36 -11.715 -2.125 -4.119 1.00 41.52 H new ATOM 0 HG3 LYS A 36 -12.321 -2.900 -5.569 1.00 41.52 H new ATOM 0 HD2 LYS A 36 -11.814 -4.258 -2.892 1.00 73.45 H new ATOM 0 HD3 LYS A 36 -13.382 -3.848 -3.559 1.00 73.45 H new ATOM 0 HE2 LYS A 36 -12.025 -5.348 -5.570 1.00 64.41 H new ATOM 0 HE3 LYS A 36 -11.743 -6.187 -4.058 1.00 64.41 H new ATOM 0 HZ1 LYS A 36 -13.733 -7.056 -4.852 1.00 15.44 H new ATOM 0 HZ2 LYS A 36 -14.243 -5.929 -3.689 1.00 15.44 H new ATOM 0 HZ3 LYS A 36 -14.333 -5.545 -5.341 1.00 15.44 H new ATOM 537 N TRP A 37 -7.708 -3.416 -3.120 1.00 61.13 N ATOM 538 CA TRP A 37 -6.470 -4.074 -2.714 1.00 53.14 C ATOM 539 C TRP A 37 -6.481 -5.546 -3.112 1.00 3.13 C ATOM 540 O TRP A 37 -7.501 -6.224 -2.988 1.00 24.52 O ATOM 541 CB TRP A 37 -6.271 -3.941 -1.203 1.00 44.55 C ATOM 542 CG TRP A 37 -5.516 -2.707 -0.811 1.00 44.11 C ATOM 543 CD1 TRP A 37 -5.879 -1.792 0.135 1.00 54.10 C ATOM 544 CD2 TRP A 37 -4.271 -2.255 -1.354 1.00 52.21 C ATOM 545 NE1 TRP A 37 -4.935 -0.796 0.211 1.00 21.05 N ATOM 546 CE2 TRP A 37 -3.938 -1.057 -0.691 1.00 43.31 C ATOM 547 CE3 TRP A 37 -3.404 -2.744 -2.335 1.00 32.54 C ATOM 548 CZ2 TRP A 37 -2.777 -0.345 -0.979 1.00 2.44 C ATOM 549 CZ3 TRP A 37 -2.253 -2.036 -2.619 1.00 52.44 C ATOM 550 CH2 TRP A 37 -1.947 -0.847 -1.944 1.00 23.21 C ATOM 0 H TRP A 37 -8.370 -3.257 -2.360 1.00 61.13 H new ATOM 0 HA TRP A 37 -5.641 -3.585 -3.226 1.00 53.14 H new ATOM 0 HB2 TRP A 37 -7.245 -3.933 -0.714 1.00 44.55 H new ATOM 0 HB3 TRP A 37 -5.737 -4.817 -0.835 1.00 44.55 H new ATOM 0 HD1 TRP A 37 -6.776 -1.843 0.735 1.00 54.10 H new ATOM 0 HE1 TRP A 37 -4.971 0.008 0.838 1.00 21.05 H new ATOM 0 HE3 TRP A 37 -3.630 -3.659 -2.862 1.00 32.54 H new ATOM 0 HZ2 TRP A 37 -2.540 0.571 -0.459 1.00 2.44 H new ATOM 0 HZ3 TRP A 37 -1.576 -2.406 -3.375 1.00 52.44 H new ATOM 0 HH2 TRP A 37 -1.039 -0.317 -2.190 1.00 23.21 H new ATOM 561 N ARG A 38 -5.341 -6.034 -3.588 1.00 62.01 N ATOM 562 CA ARG A 38 -5.220 -7.426 -4.004 1.00 63.13 C ATOM 563 C ARG A 38 -3.871 -8.004 -3.583 1.00 31.30 C ATOM 564 O ARG A 38 -2.820 -7.464 -3.924 1.00 4.45 O ATOM 565 CB ARG A 38 -5.386 -7.544 -5.520 1.00 43.41 C ATOM 566 CG ARG A 38 -5.659 -8.962 -5.994 1.00 44.20 C ATOM 567 CD ARG A 38 -6.966 -9.495 -5.431 1.00 72.43 C ATOM 568 NE ARG A 38 -7.952 -9.746 -6.480 1.00 64.23 N ATOM 569 CZ ARG A 38 -8.772 -8.815 -6.956 1.00 22.22 C ATOM 570 NH1 ARG A 38 -8.724 -7.579 -6.480 1.00 22.23 N ATOM 571 NH2 ARG A 38 -9.641 -9.121 -7.910 1.00 74.14 N ATOM 0 H ARG A 38 -4.487 -5.486 -3.695 1.00 62.01 H new ATOM 0 HA ARG A 38 -6.009 -7.995 -3.513 1.00 63.13 H new ATOM 0 HB2 ARG A 38 -6.205 -6.899 -5.839 1.00 43.41 H new ATOM 0 HB3 ARG A 38 -4.483 -7.175 -6.006 1.00 43.41 H new ATOM 0 HG2 ARG A 38 -5.696 -8.982 -7.083 1.00 44.20 H new ATOM 0 HG3 ARG A 38 -4.839 -9.613 -5.691 1.00 44.20 H new ATOM 0 HD2 ARG A 38 -6.775 -10.418 -4.884 1.00 72.43 H new ATOM 0 HD3 ARG A 38 -7.372 -8.779 -4.716 1.00 72.43 H new ATOM 0 HE ARG A 38 -8.014 -10.687 -6.868 1.00 64.23 H new ATOM 0 HH11 ARG A 38 -8.056 -7.341 -5.747 1.00 22.23 H new ATOM 0 HH12 ARG A 38 -9.355 -6.866 -6.847 1.00 22.23 H new ATOM 0 HH21 ARG A 38 -9.680 -10.071 -8.279 1.00 74.14 H new ATOM 0 HH22 ARG A 38 -10.270 -8.406 -8.275 1.00 74.14 H new ATOM 585 N ARG A 39 -3.912 -9.105 -2.839 1.00 4.24 N ATOM 586 CA ARG A 39 -2.695 -9.755 -2.369 1.00 41.35 C ATOM 587 C ARG A 39 -2.180 -10.754 -3.402 1.00 25.52 C ATOM 588 O ARG A 39 -2.833 -11.760 -3.685 1.00 42.34 O ATOM 589 CB ARG A 39 -2.950 -10.464 -1.039 1.00 63.43 C ATOM 590 CG ARG A 39 -1.696 -10.660 -0.202 1.00 13.11 C ATOM 591 CD ARG A 39 -1.648 -12.050 0.413 1.00 61.14 C ATOM 592 NE ARG A 39 -0.727 -12.116 1.544 1.00 21.14 N ATOM 593 CZ ARG A 39 -0.393 -13.248 2.154 1.00 42.53 C ATOM 594 NH1 ARG A 39 -0.901 -14.402 1.743 1.00 64.01 N ATOM 595 NH2 ARG A 39 0.452 -13.227 3.177 1.00 2.44 N ATOM 0 H ARG A 39 -4.775 -9.565 -2.549 1.00 4.24 H new ATOM 0 HA ARG A 39 -1.936 -8.987 -2.222 1.00 41.35 H new ATOM 0 HB2 ARG A 39 -3.674 -9.888 -0.463 1.00 63.43 H new ATOM 0 HB3 ARG A 39 -3.401 -11.437 -1.236 1.00 63.43 H new ATOM 0 HG2 ARG A 39 -0.814 -10.506 -0.824 1.00 13.11 H new ATOM 0 HG3 ARG A 39 -1.664 -9.910 0.588 1.00 13.11 H new ATOM 0 HD2 ARG A 39 -2.647 -12.336 0.742 1.00 61.14 H new ATOM 0 HD3 ARG A 39 -1.344 -12.772 -0.345 1.00 61.14 H new ATOM 0 HE ARG A 39 -0.318 -11.246 1.884 1.00 21.14 H new ATOM 0 HH11 ARG A 39 -1.550 -14.422 0.956 1.00 64.01 H new ATOM 0 HH12 ARG A 39 -0.643 -15.269 2.213 1.00 64.01 H new ATOM 0 HH21 ARG A 39 0.845 -12.341 3.495 1.00 2.44 H new ATOM 0 HH22 ARG A 39 0.708 -14.096 3.645 1.00 2.44 H new ATOM 609 N ILE A 40 -1.007 -10.471 -3.959 1.00 24.43 N ATOM 610 CA ILE A 40 -0.405 -11.346 -4.957 1.00 11.12 C ATOM 611 C ILE A 40 0.989 -11.791 -4.529 1.00 41.13 C ATOM 612 O ILE A 40 1.683 -11.107 -3.778 1.00 52.24 O ATOM 613 CB ILE A 40 -0.313 -10.653 -6.329 1.00 64.23 C ATOM 614 CG1 ILE A 40 0.806 -9.609 -6.323 1.00 63.32 C ATOM 615 CG2 ILE A 40 -1.644 -10.009 -6.688 1.00 1.41 C ATOM 616 CD1 ILE A 40 0.872 -8.786 -7.591 1.00 61.11 C ATOM 0 H ILE A 40 -0.455 -9.643 -3.736 1.00 24.43 H new ATOM 0 HA ILE A 40 -1.051 -12.220 -5.043 1.00 11.12 H new ATOM 0 HB ILE A 40 -0.080 -11.404 -7.084 1.00 64.23 H new ATOM 0 HG12 ILE A 40 0.664 -8.941 -5.473 1.00 63.32 H new ATOM 0 HG13 ILE A 40 1.761 -10.113 -6.177 1.00 63.32 H new ATOM 0 HG21 ILE A 40 -1.563 -9.523 -7.660 1.00 1.41 H new ATOM 0 HG22 ILE A 40 -2.419 -10.774 -6.728 1.00 1.41 H new ATOM 0 HG23 ILE A 40 -1.905 -9.268 -5.933 1.00 1.41 H new ATOM 0 HD11 ILE A 40 1.688 -8.067 -7.516 1.00 61.11 H new ATOM 0 HD12 ILE A 40 1.045 -9.444 -8.443 1.00 61.11 H new ATOM 0 HD13 ILE A 40 -0.069 -8.254 -7.729 1.00 61.11 H new ATOM 628 N PRO A 41 1.412 -12.966 -5.020 1.00 53.24 N ATOM 629 CA PRO A 41 2.728 -13.528 -4.705 1.00 24.31 C ATOM 630 C PRO A 41 3.864 -12.740 -5.347 1.00 4.12 C ATOM 631 O PRO A 41 3.672 -12.070 -6.362 1.00 63.33 O ATOM 632 CB PRO A 41 2.660 -14.941 -5.290 1.00 62.44 C ATOM 633 CG PRO A 41 1.646 -14.852 -6.379 1.00 3.34 C ATOM 634 CD PRO A 41 0.637 -13.836 -5.922 1.00 14.24 C ATOM 0 HA PRO A 41 2.935 -13.504 -3.635 1.00 24.31 H new ATOM 0 HB2 PRO A 41 3.629 -15.257 -5.676 1.00 62.44 H new ATOM 0 HB3 PRO A 41 2.366 -15.669 -4.534 1.00 62.44 H new ATOM 0 HG2 PRO A 41 2.108 -14.548 -7.318 1.00 3.34 H new ATOM 0 HG3 PRO A 41 1.175 -15.819 -6.553 1.00 3.34 H new ATOM 0 HD2 PRO A 41 0.222 -13.277 -6.761 1.00 14.24 H new ATOM 0 HD3 PRO A 41 -0.200 -14.306 -5.406 1.00 14.24 H new ATOM 642 N ALA A 42 5.048 -12.824 -4.750 1.00 43.12 N ATOM 643 CA ALA A 42 6.216 -12.121 -5.266 1.00 3.22 C ATOM 644 C ALA A 42 6.644 -12.683 -6.617 1.00 74.31 C ATOM 645 O ALA A 42 7.452 -12.080 -7.323 1.00 74.52 O ATOM 646 CB ALA A 42 7.364 -12.203 -4.271 1.00 23.40 C ATOM 0 H ALA A 42 5.224 -13.372 -3.908 1.00 43.12 H new ATOM 0 HA ALA A 42 5.945 -11.075 -5.407 1.00 3.22 H new ATOM 0 HB1 ALA A 42 8.229 -11.674 -4.670 1.00 23.40 H new ATOM 0 HB2 ALA A 42 7.062 -11.746 -3.328 1.00 23.40 H new ATOM 0 HB3 ALA A 42 7.624 -13.248 -4.101 1.00 23.40 H new ATOM 652 N SER A 43 6.097 -13.842 -6.970 1.00 60.52 N ATOM 653 CA SER A 43 6.425 -14.488 -8.236 1.00 23.41 C ATOM 654 C SER A 43 5.702 -13.811 -9.395 1.00 73.31 C ATOM 655 O SER A 43 6.249 -13.676 -10.489 1.00 15.54 O ATOM 656 CB SER A 43 6.056 -15.973 -8.185 1.00 1.32 C ATOM 657 OG SER A 43 5.815 -16.482 -9.485 1.00 70.02 O ATOM 0 H SER A 43 5.425 -14.353 -6.397 1.00 60.52 H new ATOM 0 HA SER A 43 7.499 -14.393 -8.397 1.00 23.41 H new ATOM 0 HB2 SER A 43 6.862 -16.536 -7.714 1.00 1.32 H new ATOM 0 HB3 SER A 43 5.169 -16.110 -7.567 1.00 1.32 H new ATOM 0 HG SER A 43 5.583 -17.432 -9.426 1.00 70.02 H new ATOM 663 N VAL A 44 4.465 -13.389 -9.147 1.00 10.50 N ATOM 664 CA VAL A 44 3.665 -12.725 -10.169 1.00 3.31 C ATOM 665 C VAL A 44 3.834 -11.211 -10.102 1.00 32.31 C ATOM 666 O VAL A 44 3.723 -10.517 -11.113 1.00 0.04 O ATOM 667 CB VAL A 44 2.171 -13.071 -10.025 1.00 51.14 C ATOM 668 CG1 VAL A 44 1.575 -12.372 -8.813 1.00 51.41 C ATOM 669 CG2 VAL A 44 1.414 -12.700 -11.292 1.00 1.00 C ATOM 0 H VAL A 44 3.996 -13.495 -8.247 1.00 10.50 H new ATOM 0 HA VAL A 44 4.022 -13.085 -11.134 1.00 3.31 H new ATOM 0 HB VAL A 44 2.078 -14.147 -9.875 1.00 51.14 H new ATOM 0 HG11 VAL A 44 0.519 -12.629 -8.728 1.00 51.41 H new ATOM 0 HG12 VAL A 44 2.100 -12.693 -7.913 1.00 51.41 H new ATOM 0 HG13 VAL A 44 1.678 -11.293 -8.928 1.00 51.41 H new ATOM 0 HG21 VAL A 44 0.360 -12.951 -11.173 1.00 1.00 H new ATOM 0 HG22 VAL A 44 1.514 -11.630 -11.475 1.00 1.00 H new ATOM 0 HG23 VAL A 44 1.825 -13.253 -12.137 1.00 1.00 H new ATOM 679 N VAL A 45 4.102 -10.704 -8.902 1.00 1.11 N ATOM 680 CA VAL A 45 4.288 -9.272 -8.701 1.00 74.13 C ATOM 681 C VAL A 45 5.382 -8.727 -9.613 1.00 2.34 C ATOM 682 O VAL A 45 5.392 -7.543 -9.948 1.00 41.15 O ATOM 683 CB VAL A 45 4.646 -8.952 -7.238 1.00 35.12 C ATOM 684 CG1 VAL A 45 6.141 -9.110 -7.007 1.00 21.10 C ATOM 685 CG2 VAL A 45 4.187 -7.548 -6.873 1.00 42.25 C ATOM 0 H VAL A 45 4.195 -11.264 -8.055 1.00 1.11 H new ATOM 0 HA VAL A 45 3.341 -8.792 -8.948 1.00 74.13 H new ATOM 0 HB VAL A 45 4.126 -9.659 -6.592 1.00 35.12 H new ATOM 0 HG11 VAL A 45 6.375 -8.880 -5.968 1.00 21.10 H new ATOM 0 HG12 VAL A 45 6.437 -10.136 -7.227 1.00 21.10 H new ATOM 0 HG13 VAL A 45 6.684 -8.428 -7.661 1.00 21.10 H new ATOM 0 HG21 VAL A 45 4.448 -7.338 -5.836 1.00 42.25 H new ATOM 0 HG22 VAL A 45 4.677 -6.824 -7.524 1.00 42.25 H new ATOM 0 HG23 VAL A 45 3.107 -7.475 -6.997 1.00 42.25 H new ATOM 695 N GLY A 46 6.304 -9.599 -10.009 1.00 71.02 N ATOM 696 CA GLY A 46 7.390 -9.187 -10.879 1.00 23.14 C ATOM 697 C GLY A 46 7.140 -9.544 -12.330 1.00 31.14 C ATOM 698 O GLY A 46 8.077 -9.651 -13.121 1.00 32.51 O ATOM 0 H GLY A 46 6.318 -10.584 -9.743 1.00 71.02 H new ATOM 0 HA2 GLY A 46 7.531 -8.110 -10.793 1.00 23.14 H new ATOM 0 HA3 GLY A 46 8.315 -9.658 -10.547 1.00 23.14 H new ATOM 702 N SER A 47 5.871 -9.731 -12.681 1.00 50.53 N ATOM 703 CA SER A 47 5.500 -10.083 -14.047 1.00 2.22 C ATOM 704 C SER A 47 4.287 -9.280 -14.504 1.00 52.01 C ATOM 705 O SER A 47 4.228 -8.819 -15.645 1.00 11.52 O ATOM 706 CB SER A 47 5.202 -11.580 -14.145 1.00 41.02 C ATOM 707 OG SER A 47 6.301 -12.284 -14.698 1.00 31.34 O ATOM 0 H SER A 47 5.083 -9.645 -12.039 1.00 50.53 H new ATOM 0 HA SER A 47 6.339 -9.843 -14.700 1.00 2.22 H new ATOM 0 HB2 SER A 47 4.975 -11.974 -13.155 1.00 41.02 H new ATOM 0 HB3 SER A 47 4.317 -11.738 -14.762 1.00 41.02 H new ATOM 0 HG SER A 47 6.086 -13.239 -14.748 1.00 31.34 H new ATOM 713 N ILE A 48 3.320 -9.117 -13.608 1.00 23.33 N ATOM 714 CA ILE A 48 2.108 -8.369 -13.919 1.00 1.35 C ATOM 715 C ILE A 48 2.378 -6.868 -13.937 1.00 41.01 C ATOM 716 O ILE A 48 1.562 -6.086 -14.424 1.00 62.44 O ATOM 717 CB ILE A 48 0.988 -8.665 -12.903 1.00 44.13 C ATOM 718 CG1 ILE A 48 1.444 -8.305 -11.489 1.00 32.34 C ATOM 719 CG2 ILE A 48 0.579 -10.128 -12.979 1.00 23.15 C ATOM 720 CD1 ILE A 48 1.008 -6.926 -11.045 1.00 75.22 C ATOM 0 H ILE A 48 3.352 -9.493 -12.660 1.00 23.33 H new ATOM 0 HA ILE A 48 1.784 -8.690 -14.909 1.00 1.35 H new ATOM 0 HB ILE A 48 0.121 -8.052 -13.150 1.00 44.13 H new ATOM 0 HG12 ILE A 48 1.051 -9.044 -10.790 1.00 32.34 H new ATOM 0 HG13 ILE A 48 2.531 -8.367 -11.440 1.00 32.34 H new ATOM 0 HG21 ILE A 48 -0.213 -10.322 -12.256 1.00 23.15 H new ATOM 0 HG22 ILE A 48 0.217 -10.353 -13.982 1.00 23.15 H new ATOM 0 HG23 ILE A 48 1.439 -10.758 -12.754 1.00 23.15 H new ATOM 0 HD11 ILE A 48 1.367 -6.739 -10.033 1.00 75.22 H new ATOM 0 HD12 ILE A 48 1.423 -6.178 -11.721 1.00 75.22 H new ATOM 0 HD13 ILE A 48 -0.080 -6.866 -11.061 1.00 75.22 H new ATOM 805 N TRP A 54 -2.365 -2.547 -13.391 1.00 42.43 N ATOM 806 CA TRP A 54 -2.916 -3.824 -12.953 1.00 54.24 C ATOM 807 C TRP A 54 -4.389 -3.684 -12.586 1.00 0.14 C ATOM 808 O TRP A 54 -4.825 -2.629 -12.122 1.00 43.43 O ATOM 809 CB TRP A 54 -2.128 -4.359 -11.757 1.00 63.54 C ATOM 810 CG TRP A 54 -2.639 -5.675 -11.250 1.00 60.21 C ATOM 811 CD1 TRP A 54 -2.150 -6.914 -11.549 1.00 62.35 C ATOM 812 CD2 TRP A 54 -3.739 -5.880 -10.357 1.00 63.32 C ATOM 813 NE1 TRP A 54 -2.879 -7.878 -10.896 1.00 33.51 N ATOM 814 CE2 TRP A 54 -3.860 -7.269 -10.157 1.00 63.22 C ATOM 815 CE3 TRP A 54 -4.633 -5.026 -9.705 1.00 45.23 C ATOM 816 CZ2 TRP A 54 -4.838 -7.821 -9.334 1.00 42.24 C ATOM 817 CZ3 TRP A 54 -5.603 -5.575 -8.889 1.00 31.00 C ATOM 818 CH2 TRP A 54 -5.699 -6.961 -8.709 1.00 31.33 C ATOM 0 HA TRP A 54 -2.833 -4.530 -13.779 1.00 54.24 H new ATOM 0 HB2 TRP A 54 -1.081 -4.468 -12.040 1.00 63.54 H new ATOM 0 HB3 TRP A 54 -2.165 -3.627 -10.950 1.00 63.54 H new ATOM 0 HD1 TRP A 54 -1.313 -7.108 -12.203 1.00 62.35 H new ATOM 0 HE1 TRP A 54 -2.717 -8.883 -10.952 1.00 33.51 H new ATOM 0 HE3 TRP A 54 -4.567 -3.956 -9.837 1.00 45.23 H new ATOM 0 HZ2 TRP A 54 -4.914 -8.889 -9.194 1.00 42.24 H new ATOM 0 HZ3 TRP A 54 -6.299 -4.924 -8.381 1.00 31.00 H new ATOM 0 HH2 TRP A 54 -6.468 -7.359 -8.064 1.00 31.33 H new ATOM 829 N ILE A 55 -5.151 -4.752 -12.795 1.00 72.25 N ATOM 830 CA ILE A 55 -6.575 -4.746 -12.484 1.00 61.04 C ATOM 831 C ILE A 55 -7.022 -6.096 -11.933 1.00 34.35 C ATOM 832 O ILE A 55 -6.228 -7.032 -11.831 1.00 74.31 O ATOM 833 CB ILE A 55 -7.421 -4.406 -13.725 1.00 61.33 C ATOM 834 CG1 ILE A 55 -6.907 -5.173 -14.946 1.00 12.11 C ATOM 835 CG2 ILE A 55 -7.400 -2.908 -13.987 1.00 2.34 C ATOM 836 CD1 ILE A 55 -7.630 -4.822 -16.228 1.00 5.51 C ATOM 0 H ILE A 55 -4.806 -5.632 -13.178 1.00 72.25 H new ATOM 0 HA ILE A 55 -6.730 -3.977 -11.727 1.00 61.04 H new ATOM 0 HB ILE A 55 -8.451 -4.708 -13.537 1.00 61.33 H new ATOM 0 HG12 ILE A 55 -5.843 -4.970 -15.071 1.00 12.11 H new ATOM 0 HG13 ILE A 55 -7.008 -6.243 -14.762 1.00 12.11 H new ATOM 0 HG21 ILE A 55 -8.003 -2.684 -14.867 1.00 2.34 H new ATOM 0 HG22 ILE A 55 -7.809 -2.382 -13.124 1.00 2.34 H new ATOM 0 HG23 ILE A 55 -6.374 -2.583 -14.158 1.00 2.34 H new ATOM 0 HD11 ILE A 55 -7.214 -5.403 -17.051 1.00 5.51 H new ATOM 0 HD12 ILE A 55 -8.690 -5.051 -16.122 1.00 5.51 H new ATOM 0 HD13 ILE A 55 -7.507 -3.759 -16.436 1.00 5.51 H new ATOM 848 N CYS A 56 -8.300 -6.190 -11.579 1.00 42.10 N ATOM 849 CA CYS A 56 -8.855 -7.425 -11.038 1.00 65.51 C ATOM 850 C CYS A 56 -8.839 -8.534 -12.087 1.00 42.24 C ATOM 851 O CYS A 56 -8.323 -9.625 -11.844 1.00 15.43 O ATOM 852 CB CYS A 56 -10.286 -7.194 -10.547 1.00 3.30 C ATOM 853 SG CYS A 56 -10.436 -5.891 -9.284 1.00 31.21 S ATOM 0 H CYS A 56 -8.970 -5.425 -11.657 1.00 42.10 H new ATOM 0 HA CYS A 56 -8.235 -7.735 -10.197 1.00 65.51 H new ATOM 0 HB2 CYS A 56 -10.914 -6.933 -11.399 1.00 3.30 H new ATOM 0 HB3 CYS A 56 -10.674 -8.127 -10.139 1.00 3.30 H new ATOM 0 HG CYS A 56 -11.181 -4.928 -9.740 1.00 31.21 H new ATOM 858 N MET A 57 -9.406 -8.245 -13.254 1.00 71.22 N ATOM 859 CA MET A 57 -9.455 -9.217 -14.340 1.00 31.11 C ATOM 860 C MET A 57 -8.049 -9.644 -14.752 1.00 15.10 C ATOM 861 O MET A 57 -7.867 -10.683 -15.385 1.00 11.22 O ATOM 862 CB MET A 57 -10.196 -8.630 -15.544 1.00 62.22 C ATOM 863 CG MET A 57 -9.666 -7.275 -15.983 1.00 33.34 C ATOM 864 SD MET A 57 -10.974 -6.051 -16.188 1.00 72.31 S ATOM 865 CE MET A 57 -11.404 -5.725 -14.479 1.00 53.22 C ATOM 0 H MET A 57 -9.837 -7.347 -13.472 1.00 71.22 H new ATOM 0 HA MET A 57 -9.992 -10.096 -13.984 1.00 31.11 H new ATOM 0 HB2 MET A 57 -10.124 -9.327 -16.379 1.00 62.22 H new ATOM 0 HB3 MET A 57 -11.254 -8.535 -15.298 1.00 62.22 H new ATOM 0 HG2 MET A 57 -8.948 -6.914 -15.247 1.00 33.34 H new ATOM 0 HG3 MET A 57 -9.128 -7.387 -16.924 1.00 33.34 H new ATOM 0 HE1 MET A 57 -12.215 -4.998 -14.440 1.00 53.22 H new ATOM 0 HE2 MET A 57 -11.724 -6.651 -14.001 1.00 53.22 H new ATOM 0 HE3 MET A 57 -10.535 -5.328 -13.955 1.00 53.22 H new ATOM 875 N ASN A 58 -7.060 -8.834 -14.389 1.00 23.25 N ATOM 876 CA ASN A 58 -5.670 -9.128 -14.721 1.00 73.52 C ATOM 877 C ASN A 58 -5.049 -10.061 -13.685 1.00 50.34 C ATOM 878 O ASN A 58 -3.934 -10.549 -13.865 1.00 71.22 O ATOM 879 CB ASN A 58 -4.861 -7.834 -14.810 1.00 50.43 C ATOM 880 CG ASN A 58 -4.811 -7.279 -16.221 1.00 4.44 C ATOM 881 OD1 ASN A 58 -3.758 -6.847 -16.694 1.00 24.52 O ATOM 882 ND2 ASN A 58 -5.951 -7.287 -16.900 1.00 53.24 N ATOM 0 H ASN A 58 -7.195 -7.969 -13.865 1.00 23.25 H new ATOM 0 HA ASN A 58 -5.651 -9.627 -15.690 1.00 73.52 H new ATOM 0 HB2 ASN A 58 -5.298 -7.089 -14.145 1.00 50.43 H new ATOM 0 HB3 ASN A 58 -3.846 -8.019 -14.459 1.00 50.43 H new ATOM 0 HD21 ASN A 58 -5.979 -6.926 -17.853 1.00 53.24 H new ATOM 0 HD22 ASN A 58 -6.799 -7.654 -16.468 1.00 53.24 H new ATOM 889 N ASN A 59 -5.778 -10.303 -12.602 1.00 33.15 N ATOM 890 CA ASN A 59 -5.299 -11.176 -11.537 1.00 23.11 C ATOM 891 C ASN A 59 -4.918 -12.546 -12.088 1.00 70.41 C ATOM 892 O ASN A 59 -5.376 -12.945 -13.158 1.00 64.21 O ATOM 893 CB ASN A 59 -6.368 -11.328 -10.453 1.00 20.22 C ATOM 894 CG ASN A 59 -5.802 -11.868 -9.154 1.00 22.33 C ATOM 895 OD1 ASN A 59 -4.586 -11.957 -8.983 1.00 32.23 O ATOM 896 ND2 ASN A 59 -6.684 -12.233 -8.231 1.00 13.53 N ATOM 0 H ASN A 59 -6.703 -9.907 -12.438 1.00 33.15 H new ATOM 0 HA ASN A 59 -4.411 -10.720 -11.099 1.00 23.11 H new ATOM 0 HB2 ASN A 59 -6.834 -10.360 -10.268 1.00 20.22 H new ATOM 0 HB3 ASN A 59 -7.151 -11.996 -10.810 1.00 20.22 H new ATOM 0 HD21 ASN A 59 -6.363 -12.605 -7.337 1.00 13.53 H new ATOM 0 HD22 ASN A 59 -7.683 -12.142 -8.416 1.00 13.53 H new ATOM 903 N SER A 60 -4.077 -13.263 -11.348 1.00 10.12 N ATOM 904 CA SER A 60 -3.631 -14.588 -11.764 1.00 33.44 C ATOM 905 C SER A 60 -4.693 -15.639 -11.454 1.00 64.10 C ATOM 906 O SER A 60 -4.809 -16.645 -12.155 1.00 60.30 O ATOM 907 CB SER A 60 -2.319 -14.950 -11.066 1.00 33.32 C ATOM 908 OG SER A 60 -2.300 -16.317 -10.694 1.00 2.44 O ATOM 0 H SER A 60 -3.691 -12.948 -10.458 1.00 10.12 H new ATOM 0 HA SER A 60 -3.467 -14.569 -12.841 1.00 33.44 H new ATOM 0 HB2 SER A 60 -1.480 -14.739 -11.729 1.00 33.32 H new ATOM 0 HB3 SER A 60 -2.190 -14.327 -10.181 1.00 33.32 H new ATOM 0 HG SER A 60 -1.451 -16.524 -10.251 1.00 2.44 H new ATOM 914 N ASP A 61 -5.464 -15.400 -10.399 1.00 42.31 N ATOM 915 CA ASP A 61 -6.516 -16.325 -9.995 1.00 75.03 C ATOM 916 C ASP A 61 -7.638 -16.355 -11.029 1.00 33.51 C ATOM 917 O ASP A 61 -7.568 -15.683 -12.057 1.00 71.54 O ATOM 918 CB ASP A 61 -7.076 -15.928 -8.628 1.00 72.24 C ATOM 919 CG ASP A 61 -7.350 -17.129 -7.744 1.00 63.02 C ATOM 920 OD1 ASP A 61 -8.238 -17.934 -8.096 1.00 4.22 O ATOM 921 OD2 ASP A 61 -6.676 -17.265 -6.702 1.00 22.04 O ATOM 0 H ASP A 61 -5.380 -14.573 -9.808 1.00 42.31 H new ATOM 0 HA ASP A 61 -6.083 -17.323 -9.925 1.00 75.03 H new ATOM 0 HB2 ASP A 61 -6.370 -15.266 -8.128 1.00 72.24 H new ATOM 0 HB3 ASP A 61 -7.999 -15.364 -8.766 1.00 72.24 H new ATOM 926 N LYS A 62 -8.672 -17.141 -10.748 1.00 33.33 N ATOM 927 CA LYS A 62 -9.811 -17.261 -11.652 1.00 43.53 C ATOM 928 C LYS A 62 -11.108 -16.885 -10.945 1.00 52.24 C ATOM 929 O LYS A 62 -12.010 -16.304 -11.550 1.00 43.21 O ATOM 930 CB LYS A 62 -9.908 -18.689 -12.196 1.00 13.33 C ATOM 931 CG LYS A 62 -9.968 -19.750 -11.111 1.00 15.13 C ATOM 932 CD LYS A 62 -11.370 -20.316 -10.962 1.00 24.02 C ATOM 933 CE LYS A 62 -11.526 -21.083 -9.658 1.00 65.32 C ATOM 934 NZ LYS A 62 -10.732 -22.344 -9.657 1.00 72.45 N ATOM 0 H LYS A 62 -8.745 -17.705 -9.901 1.00 33.33 H new ATOM 0 HA LYS A 62 -9.659 -16.572 -12.483 1.00 43.53 H new ATOM 0 HB2 LYS A 62 -10.796 -18.771 -12.822 1.00 13.33 H new ATOM 0 HB3 LYS A 62 -9.048 -18.884 -12.836 1.00 13.33 H new ATOM 0 HG2 LYS A 62 -9.273 -20.555 -11.349 1.00 15.13 H new ATOM 0 HG3 LYS A 62 -9.645 -19.321 -10.163 1.00 15.13 H new ATOM 0 HD2 LYS A 62 -12.097 -19.504 -10.997 1.00 24.02 H new ATOM 0 HD3 LYS A 62 -11.588 -20.976 -11.802 1.00 24.02 H new ATOM 0 HE2 LYS A 62 -11.209 -20.454 -8.826 1.00 65.32 H new ATOM 0 HE3 LYS A 62 -12.579 -21.317 -9.498 1.00 65.32 H new ATOM 0 HZ1 LYS A 62 -10.865 -22.837 -8.751 1.00 72.45 H new ATOM 0 HZ2 LYS A 62 -11.051 -22.956 -10.435 1.00 72.45 H new ATOM 0 HZ3 LYS A 62 -9.724 -22.120 -9.784 1.00 72.45 H new ATOM 948 N ARG A 63 -11.196 -17.218 -9.661 1.00 52.40 N ATOM 949 CA ARG A 63 -12.384 -16.914 -8.872 1.00 50.34 C ATOM 950 C ARG A 63 -12.285 -15.523 -8.253 1.00 62.34 C ATOM 951 O ARG A 63 -13.269 -14.987 -7.744 1.00 30.21 O ATOM 952 CB ARG A 63 -12.574 -17.962 -7.774 1.00 4.33 C ATOM 953 CG ARG A 63 -13.991 -18.503 -7.686 1.00 54.44 C ATOM 954 CD ARG A 63 -14.353 -19.317 -8.918 1.00 74.51 C ATOM 955 NE ARG A 63 -15.762 -19.172 -9.275 1.00 75.14 N ATOM 956 CZ ARG A 63 -16.752 -19.773 -8.625 1.00 62.13 C ATOM 957 NH1 ARG A 63 -16.488 -20.557 -7.588 1.00 44.42 N ATOM 958 NH2 ARG A 63 -18.008 -19.592 -9.011 1.00 31.40 N ATOM 0 H ARG A 63 -10.459 -17.698 -9.145 1.00 52.40 H new ATOM 0 HA ARG A 63 -13.247 -16.935 -9.537 1.00 50.34 H new ATOM 0 HB2 ARG A 63 -11.888 -18.791 -7.952 1.00 4.33 H new ATOM 0 HB3 ARG A 63 -12.302 -17.523 -6.814 1.00 4.33 H new ATOM 0 HG2 ARG A 63 -14.090 -19.124 -6.796 1.00 54.44 H new ATOM 0 HG3 ARG A 63 -14.692 -17.675 -7.576 1.00 54.44 H new ATOM 0 HD2 ARG A 63 -13.732 -19.001 -9.756 1.00 74.51 H new ATOM 0 HD3 ARG A 63 -14.132 -20.369 -8.736 1.00 74.51 H new ATOM 0 HE ARG A 63 -15.999 -18.576 -10.068 1.00 75.14 H new ATOM 0 HH11 ARG A 63 -15.523 -20.699 -7.289 1.00 44.42 H new ATOM 0 HH12 ARG A 63 -17.250 -21.018 -7.090 1.00 44.42 H new ATOM 0 HH21 ARG A 63 -18.215 -18.990 -9.808 1.00 31.40 H new ATOM 0 HH22 ARG A 63 -18.767 -20.054 -8.511 1.00 31.40 H new ATOM 972 N PHE A 64 -11.089 -14.944 -8.301 1.00 21.33 N ATOM 973 CA PHE A 64 -10.860 -13.617 -7.743 1.00 20.31 C ATOM 974 C PHE A 64 -10.192 -12.704 -8.767 1.00 62.01 C ATOM 975 O PHE A 64 -9.409 -11.824 -8.412 1.00 25.10 O ATOM 976 CB PHE A 64 -9.994 -13.711 -6.485 1.00 14.03 C ATOM 977 CG PHE A 64 -10.772 -14.051 -5.245 1.00 53.44 C ATOM 978 CD1 PHE A 64 -11.438 -15.261 -5.140 1.00 31.44 C ATOM 979 CD2 PHE A 64 -10.837 -13.160 -4.187 1.00 10.35 C ATOM 980 CE1 PHE A 64 -12.155 -15.576 -4.001 1.00 32.02 C ATOM 981 CE2 PHE A 64 -11.552 -13.468 -3.044 1.00 65.12 C ATOM 982 CZ PHE A 64 -12.211 -14.679 -2.951 1.00 41.03 C ATOM 0 H PHE A 64 -10.264 -15.373 -8.721 1.00 21.33 H new ATOM 0 HA PHE A 64 -11.827 -13.190 -7.478 1.00 20.31 H new ATOM 0 HB2 PHE A 64 -9.224 -14.467 -6.640 1.00 14.03 H new ATOM 0 HB3 PHE A 64 -9.482 -12.760 -6.334 1.00 14.03 H new ATOM 0 HD1 PHE A 64 -11.397 -15.966 -5.957 1.00 31.44 H new ATOM 0 HD2 PHE A 64 -10.323 -12.213 -4.255 1.00 10.35 H new ATOM 0 HE1 PHE A 64 -12.671 -16.522 -3.932 1.00 32.02 H new ATOM 0 HE2 PHE A 64 -11.595 -12.764 -2.226 1.00 65.12 H new ATOM 0 HZ PHE A 64 -12.769 -14.924 -2.059 1.00 41.03 H new ATOM 992 N ALA A 65 -10.507 -12.923 -10.039 1.00 55.00 N ATOM 993 CA ALA A 65 -9.939 -12.120 -11.115 1.00 43.21 C ATOM 994 C ALA A 65 -11.026 -11.353 -11.861 1.00 3.01 C ATOM 995 O ALA A 65 -11.331 -11.656 -13.015 1.00 32.15 O ATOM 996 CB ALA A 65 -9.159 -13.005 -12.078 1.00 11.54 C ATOM 0 H ALA A 65 -11.152 -13.649 -10.350 1.00 55.00 H new ATOM 0 HA ALA A 65 -9.258 -11.394 -10.672 1.00 43.21 H new ATOM 0 HB1 ALA A 65 -8.740 -12.393 -12.877 1.00 11.54 H new ATOM 0 HB2 ALA A 65 -8.352 -13.503 -11.541 1.00 11.54 H new ATOM 0 HB3 ALA A 65 -9.826 -13.753 -12.506 1.00 11.54 H new ATOM 1002 N ASP A 66 -11.606 -10.361 -11.195 1.00 30.12 N ATOM 1003 CA ASP A 66 -12.659 -9.551 -11.796 1.00 31.34 C ATOM 1004 C ASP A 66 -13.088 -8.432 -10.851 1.00 40.15 C ATOM 1005 O ASP A 66 -13.010 -8.571 -9.631 1.00 2.14 O ATOM 1006 CB ASP A 66 -13.863 -10.424 -12.153 1.00 32.22 C ATOM 1007 CG ASP A 66 -13.910 -10.768 -13.628 1.00 71.23 C ATOM 1008 OD1 ASP A 66 -13.939 -9.834 -14.455 1.00 32.23 O ATOM 1009 OD2 ASP A 66 -13.920 -11.974 -13.956 1.00 32.25 O ATOM 0 H ASP A 66 -11.365 -10.098 -10.239 1.00 30.12 H new ATOM 0 HA ASP A 66 -12.264 -9.102 -12.707 1.00 31.34 H new ATOM 0 HB2 ASP A 66 -13.827 -11.344 -11.569 1.00 32.22 H new ATOM 0 HB3 ASP A 66 -14.780 -9.905 -11.874 1.00 32.22 H new ATOM 1014 N CYS A 67 -13.542 -7.322 -11.425 1.00 44.52 N ATOM 1015 CA CYS A 67 -13.982 -6.178 -10.636 1.00 32.22 C ATOM 1016 C CYS A 67 -15.285 -6.491 -9.906 1.00 14.31 C ATOM 1017 O CYS A 67 -15.695 -5.758 -9.005 1.00 22.32 O ATOM 1018 CB CYS A 67 -14.169 -4.954 -11.535 1.00 11.44 C ATOM 1019 SG CYS A 67 -12.652 -3.976 -11.784 1.00 72.35 S ATOM 0 H CYS A 67 -13.615 -7.191 -12.434 1.00 44.52 H new ATOM 0 HA CYS A 67 -13.213 -5.961 -9.894 1.00 32.22 H new ATOM 0 HB2 CYS A 67 -14.540 -5.283 -12.506 1.00 11.44 H new ATOM 0 HB3 CYS A 67 -14.936 -4.312 -11.102 1.00 11.44 H new ATOM 0 HG CYS A 67 -12.273 -3.466 -10.650 1.00 72.35 H new ATOM 1024 N SER A 68 -15.931 -7.582 -10.300 1.00 72.55 N ATOM 1025 CA SER A 68 -17.190 -7.991 -9.687 1.00 12.22 C ATOM 1026 C SER A 68 -16.938 -8.786 -8.410 1.00 64.02 C ATOM 1027 O SER A 68 -17.578 -8.556 -7.383 1.00 52.05 O ATOM 1028 CB SER A 68 -18.013 -8.826 -10.669 1.00 71.22 C ATOM 1029 OG SER A 68 -19.217 -8.163 -11.018 1.00 43.41 O ATOM 0 H SER A 68 -15.604 -8.200 -11.042 1.00 72.55 H new ATOM 0 HA SER A 68 -17.750 -7.092 -9.430 1.00 12.22 H new ATOM 0 HB2 SER A 68 -17.427 -9.019 -11.567 1.00 71.22 H new ATOM 0 HB3 SER A 68 -18.243 -9.794 -10.224 1.00 71.22 H new ATOM 0 HG SER A 68 -19.724 -8.716 -11.648 1.00 43.41 H new ATOM 1035 N LYS A 69 -16.001 -9.726 -8.482 1.00 31.13 N ATOM 1036 CA LYS A 69 -15.662 -10.558 -7.333 1.00 12.21 C ATOM 1037 C LYS A 69 -15.468 -9.706 -6.082 1.00 42.45 C ATOM 1038 O LYS A 69 -14.982 -8.577 -6.158 1.00 33.11 O ATOM 1039 CB LYS A 69 -14.391 -11.362 -7.617 1.00 74.13 C ATOM 1040 CG LYS A 69 -13.120 -10.532 -7.557 1.00 41.25 C ATOM 1041 CD LYS A 69 -12.372 -10.751 -6.253 1.00 45.43 C ATOM 1042 CE LYS A 69 -11.894 -9.437 -5.657 1.00 15.32 C ATOM 1043 NZ LYS A 69 -10.748 -9.632 -4.727 1.00 25.43 N ATOM 0 H LYS A 69 -15.463 -9.931 -9.324 1.00 31.13 H new ATOM 0 HA LYS A 69 -16.489 -11.246 -7.158 1.00 12.21 H new ATOM 0 HB2 LYS A 69 -14.318 -12.176 -6.896 1.00 74.13 H new ATOM 0 HB3 LYS A 69 -14.472 -11.817 -8.604 1.00 74.13 H new ATOM 0 HG2 LYS A 69 -12.475 -10.792 -8.396 1.00 41.25 H new ATOM 0 HG3 LYS A 69 -13.369 -9.476 -7.662 1.00 41.25 H new ATOM 0 HD2 LYS A 69 -13.022 -11.260 -5.541 1.00 45.43 H new ATOM 0 HD3 LYS A 69 -11.517 -11.405 -6.428 1.00 45.43 H new ATOM 0 HE2 LYS A 69 -11.599 -8.761 -6.459 1.00 15.32 H new ATOM 0 HE3 LYS A 69 -12.716 -8.960 -5.124 1.00 15.32 H new ATOM 0 HZ1 LYS A 69 -10.313 -8.712 -4.515 1.00 25.43 H new ATOM 0 HZ2 LYS A 69 -11.087 -10.066 -3.845 1.00 25.43 H new ATOM 0 HZ3 LYS A 69 -10.043 -10.254 -5.171 1.00 25.43 H new ATOM 1057 N SER A 70 -15.849 -10.254 -4.933 1.00 41.43 N ATOM 1058 CA SER A 70 -15.718 -9.543 -3.667 1.00 30.13 C ATOM 1059 C SER A 70 -14.253 -9.428 -3.256 1.00 2.21 C ATOM 1060 O SER A 70 -13.472 -10.361 -3.440 1.00 53.22 O ATOM 1061 CB SER A 70 -16.511 -10.258 -2.572 1.00 34.52 C ATOM 1062 OG SER A 70 -17.488 -11.120 -3.130 1.00 62.41 O ATOM 0 H SER A 70 -16.251 -11.188 -4.853 1.00 41.43 H new ATOM 0 HA SER A 70 -16.120 -8.539 -3.801 1.00 30.13 H new ATOM 0 HB2 SER A 70 -15.831 -10.833 -1.943 1.00 34.52 H new ATOM 0 HB3 SER A 70 -16.995 -9.522 -1.930 1.00 34.52 H new ATOM 0 HG SER A 70 -17.980 -11.566 -2.410 1.00 62.41 H new ATOM 1068 N GLN A 71 -13.890 -8.277 -2.700 1.00 65.31 N ATOM 1069 CA GLN A 71 -12.518 -8.040 -2.263 1.00 55.22 C ATOM 1070 C GLN A 71 -12.005 -9.205 -1.423 1.00 11.42 C ATOM 1071 O GLN A 71 -12.773 -9.861 -0.721 1.00 33.33 O ATOM 1072 CB GLN A 71 -12.434 -6.740 -1.461 1.00 31.23 C ATOM 1073 CG GLN A 71 -11.011 -6.319 -1.134 1.00 44.01 C ATOM 1074 CD GLN A 71 -10.931 -4.909 -0.583 1.00 74.51 C ATOM 1075 OE1 GLN A 71 -11.927 -4.186 -0.551 1.00 12.23 O ATOM 1076 NE2 GLN A 71 -9.742 -4.510 -0.147 1.00 14.45 N ATOM 0 H GLN A 71 -14.525 -7.495 -2.541 1.00 65.31 H new ATOM 0 HA GLN A 71 -11.890 -7.953 -3.150 1.00 55.22 H new ATOM 0 HB2 GLN A 71 -12.920 -5.943 -2.024 1.00 31.23 H new ATOM 0 HB3 GLN A 71 -12.992 -6.859 -0.532 1.00 31.23 H new ATOM 0 HG2 GLN A 71 -10.589 -7.013 -0.408 1.00 44.01 H new ATOM 0 HG3 GLN A 71 -10.400 -6.388 -2.034 1.00 44.01 H new ATOM 0 HE21 GLN A 71 -8.943 -5.143 -0.193 1.00 14.45 H new ATOM 0 HE22 GLN A 71 -9.627 -3.571 0.234 1.00 14.45 H new ATOM 1085 N GLU A 72 -10.702 -9.455 -1.501 1.00 62.12 N ATOM 1086 CA GLU A 72 -10.087 -10.542 -0.748 1.00 24.33 C ATOM 1087 C GLU A 72 -10.227 -10.310 0.754 1.00 1.30 C ATOM 1088 O GLU A 72 -10.839 -11.109 1.462 1.00 3.52 O ATOM 1089 CB GLU A 72 -8.609 -10.678 -1.120 1.00 32.54 C ATOM 1090 CG GLU A 72 -8.362 -10.743 -2.617 1.00 24.53 C ATOM 1091 CD GLU A 72 -7.447 -11.888 -3.007 1.00 64.12 C ATOM 1092 OE1 GLU A 72 -6.456 -12.127 -2.286 1.00 62.13 O ATOM 1093 OE2 GLU A 72 -7.721 -12.545 -4.033 1.00 11.42 O ATOM 0 H GLU A 72 -10.052 -8.920 -2.077 1.00 62.12 H new ATOM 0 HA GLU A 72 -10.604 -11.466 -1.005 1.00 24.33 H new ATOM 0 HB2 GLU A 72 -8.060 -9.833 -0.706 1.00 32.54 H new ATOM 0 HB3 GLU A 72 -8.207 -11.578 -0.655 1.00 32.54 H new ATOM 0 HG2 GLU A 72 -9.315 -10.852 -3.135 1.00 24.53 H new ATOM 0 HG3 GLU A 72 -7.924 -9.802 -2.951 1.00 24.53 H new ATOM 1100 N MET A 73 -9.653 -9.211 1.233 1.00 54.53 N ATOM 1101 CA MET A 73 -9.713 -8.872 2.649 1.00 12.04 C ATOM 1102 C MET A 73 -10.313 -7.484 2.852 1.00 44.41 C ATOM 1103 O MET A 73 -10.440 -6.709 1.905 1.00 14.42 O ATOM 1104 CB MET A 73 -8.316 -8.934 3.270 1.00 14.41 C ATOM 1105 CG MET A 73 -7.735 -10.336 3.321 1.00 23.12 C ATOM 1106 SD MET A 73 -6.424 -10.501 4.549 1.00 53.45 S ATOM 1107 CE MET A 73 -5.495 -8.998 4.254 1.00 5.23 C ATOM 0 H MET A 73 -9.141 -8.540 0.660 1.00 54.53 H new ATOM 0 HA MET A 73 -10.355 -9.601 3.144 1.00 12.04 H new ATOM 0 HB2 MET A 73 -7.645 -8.292 2.699 1.00 14.41 H new ATOM 0 HB3 MET A 73 -8.359 -8.531 4.282 1.00 14.41 H new ATOM 0 HG2 MET A 73 -8.530 -11.047 3.547 1.00 23.12 H new ATOM 0 HG3 MET A 73 -7.342 -10.598 2.339 1.00 23.12 H new ATOM 0 HE1 MET A 73 -4.527 -9.065 4.750 1.00 5.23 H new ATOM 0 HE2 MET A 73 -5.345 -8.867 3.182 1.00 5.23 H new ATOM 0 HE3 MET A 73 -6.047 -8.145 4.650 1.00 5.23 H new ATOM 1117 N SER A 74 -10.677 -7.177 4.092 1.00 20.24 N ATOM 1118 CA SER A 74 -11.267 -5.884 4.419 1.00 72.10 C ATOM 1119 C SER A 74 -10.185 -4.824 4.601 1.00 24.41 C ATOM 1120 O SER A 74 -9.021 -5.145 4.844 1.00 15.12 O ATOM 1121 CB SER A 74 -12.112 -5.990 5.689 1.00 33.12 C ATOM 1122 OG SER A 74 -13.287 -6.748 5.458 1.00 73.51 O ATOM 0 H SER A 74 -10.574 -7.806 4.888 1.00 20.24 H new ATOM 0 HA SER A 74 -11.908 -5.586 3.590 1.00 72.10 H new ATOM 0 HB2 SER A 74 -11.526 -6.455 6.482 1.00 33.12 H new ATOM 0 HB3 SER A 74 -12.381 -4.992 6.035 1.00 33.12 H new ATOM 0 HG SER A 74 -13.809 -6.802 6.286 1.00 73.51 H new ATOM 1128 N ASN A 75 -10.577 -3.560 4.483 1.00 61.13 N ATOM 1129 CA ASN A 75 -9.641 -2.451 4.634 1.00 62.30 C ATOM 1130 C ASN A 75 -8.851 -2.580 5.934 1.00 62.55 C ATOM 1131 O ASN A 75 -7.633 -2.408 5.949 1.00 23.12 O ATOM 1132 CB ASN A 75 -10.389 -1.118 4.610 1.00 13.13 C ATOM 1133 CG ASN A 75 -10.009 -0.262 3.417 1.00 31.00 C ATOM 1134 OD1 ASN A 75 -9.779 0.939 3.549 1.00 15.35 O ATOM 1135 ND2 ASN A 75 -9.941 -0.881 2.244 1.00 45.21 N ATOM 0 H ASN A 75 -11.537 -3.278 4.283 1.00 61.13 H new ATOM 0 HA ASN A 75 -8.941 -2.482 3.799 1.00 62.30 H new ATOM 0 HB2 ASN A 75 -11.462 -1.307 4.591 1.00 13.13 H new ATOM 0 HB3 ASN A 75 -10.179 -0.570 5.528 1.00 13.13 H new ATOM 0 HD21 ASN A 75 -9.690 -0.358 1.405 1.00 45.21 H new ATOM 0 HD22 ASN A 75 -10.140 -1.879 2.182 1.00 45.21 H new ATOM 1142 N GLU A 76 -9.554 -2.887 7.019 1.00 12.25 N ATOM 1143 CA GLU A 76 -8.917 -3.038 8.323 1.00 40.13 C ATOM 1144 C GLU A 76 -7.771 -4.043 8.254 1.00 11.12 C ATOM 1145 O GLU A 76 -6.667 -3.774 8.728 1.00 60.55 O ATOM 1146 CB GLU A 76 -9.942 -3.487 9.366 1.00 14.02 C ATOM 1147 CG GLU A 76 -10.747 -4.705 8.945 1.00 11.11 C ATOM 1148 CD GLU A 76 -11.914 -4.983 9.872 1.00 13.31 C ATOM 1149 OE1 GLU A 76 -11.731 -4.874 11.104 1.00 55.54 O ATOM 1150 OE2 GLU A 76 -13.009 -5.308 9.368 1.00 64.53 O ATOM 0 H GLU A 76 -10.563 -3.036 7.022 1.00 12.25 H new ATOM 0 HA GLU A 76 -8.511 -2.070 8.616 1.00 40.13 H new ATOM 0 HB2 GLU A 76 -9.424 -3.709 10.299 1.00 14.02 H new ATOM 0 HB3 GLU A 76 -10.626 -2.663 9.569 1.00 14.02 H new ATOM 0 HG2 GLU A 76 -11.120 -4.556 7.932 1.00 11.11 H new ATOM 0 HG3 GLU A 76 -10.093 -5.577 8.919 1.00 11.11 H new ATOM 1157 N GLU A 77 -8.043 -5.202 7.663 1.00 50.24 N ATOM 1158 CA GLU A 77 -7.034 -6.248 7.534 1.00 12.24 C ATOM 1159 C GLU A 77 -5.815 -5.737 6.773 1.00 40.52 C ATOM 1160 O GLU A 77 -4.688 -5.813 7.263 1.00 64.02 O ATOM 1161 CB GLU A 77 -7.620 -7.467 6.819 1.00 34.51 C ATOM 1162 CG GLU A 77 -8.762 -8.126 7.576 1.00 53.31 C ATOM 1163 CD GLU A 77 -9.024 -9.546 7.115 1.00 24.14 C ATOM 1164 OE1 GLU A 77 -9.835 -9.728 6.183 1.00 64.21 O ATOM 1165 OE2 GLU A 77 -8.418 -10.476 7.688 1.00 62.23 O ATOM 0 H GLU A 77 -8.952 -5.441 7.266 1.00 50.24 H new ATOM 0 HA GLU A 77 -6.720 -6.539 8.536 1.00 12.24 H new ATOM 0 HB2 GLU A 77 -7.975 -7.164 5.834 1.00 34.51 H new ATOM 0 HB3 GLU A 77 -6.829 -8.200 6.661 1.00 34.51 H new ATOM 0 HG2 GLU A 77 -8.532 -8.130 8.641 1.00 53.31 H new ATOM 0 HG3 GLU A 77 -9.668 -7.533 7.448 1.00 53.31 H new ATOM 1172 N ILE A 78 -6.048 -5.216 5.573 1.00 4.32 N ATOM 1173 CA ILE A 78 -4.969 -4.692 4.745 1.00 43.52 C ATOM 1174 C ILE A 78 -4.209 -3.585 5.468 1.00 62.33 C ATOM 1175 O ILE A 78 -2.992 -3.463 5.332 1.00 74.12 O ATOM 1176 CB ILE A 78 -5.500 -4.145 3.407 1.00 34.55 C ATOM 1177 CG1 ILE A 78 -6.292 -5.226 2.668 1.00 73.10 C ATOM 1178 CG2 ILE A 78 -4.353 -3.640 2.547 1.00 4.51 C ATOM 1179 CD1 ILE A 78 -7.364 -4.672 1.755 1.00 41.22 C ATOM 0 H ILE A 78 -6.975 -5.146 5.152 1.00 4.32 H new ATOM 0 HA ILE A 78 -4.293 -5.523 4.545 1.00 43.52 H new ATOM 0 HB ILE A 78 -6.168 -3.308 3.613 1.00 34.55 H new ATOM 0 HG12 ILE A 78 -5.603 -5.832 2.080 1.00 73.10 H new ATOM 0 HG13 ILE A 78 -6.755 -5.889 3.399 1.00 73.10 H new ATOM 0 HG21 ILE A 78 -4.746 -3.257 1.605 1.00 4.51 H new ATOM 0 HG22 ILE A 78 -3.828 -2.842 3.073 1.00 4.51 H new ATOM 0 HG23 ILE A 78 -3.662 -4.458 2.346 1.00 4.51 H new ATOM 0 HD11 ILE A 78 -7.885 -5.494 1.264 1.00 41.22 H new ATOM 0 HD12 ILE A 78 -8.076 -4.090 2.341 1.00 41.22 H new ATOM 0 HD13 ILE A 78 -6.905 -4.032 1.001 1.00 41.22 H new ATOM 1191 N ASN A 79 -4.936 -2.782 6.238 1.00 4.54 N ATOM 1192 CA ASN A 79 -4.330 -1.685 6.984 1.00 24.23 C ATOM 1193 C ASN A 79 -3.348 -2.213 8.026 1.00 22.11 C ATOM 1194 O ASN A 79 -2.234 -1.704 8.157 1.00 74.10 O ATOM 1195 CB ASN A 79 -5.412 -0.846 7.667 1.00 1.13 C ATOM 1196 CG ASN A 79 -5.171 -0.693 9.156 1.00 13.52 C ATOM 1197 OD1 ASN A 79 -4.210 -0.048 9.578 1.00 44.15 O ATOM 1198 ND2 ASN A 79 -6.044 -1.284 9.962 1.00 72.32 N ATOM 0 H ASN A 79 -5.945 -2.870 6.362 1.00 4.54 H new ATOM 0 HA ASN A 79 -3.784 -1.058 6.280 1.00 24.23 H new ATOM 0 HB2 ASN A 79 -5.449 0.140 7.205 1.00 1.13 H new ATOM 0 HB3 ASN A 79 -6.385 -1.311 7.505 1.00 1.13 H new ATOM 0 HD21 ASN A 79 -5.933 -1.214 10.973 1.00 72.32 H new ATOM 0 HD22 ASN A 79 -6.826 -1.809 9.570 1.00 72.32 H new ATOM 1205 N GLU A 80 -3.768 -3.236 8.763 1.00 60.15 N ATOM 1206 CA GLU A 80 -2.924 -3.832 9.793 1.00 75.55 C ATOM 1207 C GLU A 80 -1.783 -4.628 9.168 1.00 51.04 C ATOM 1208 O GLU A 80 -0.723 -4.789 9.770 1.00 45.43 O ATOM 1209 CB GLU A 80 -3.756 -4.740 10.701 1.00 31.40 C ATOM 1210 CG GLU A 80 -3.746 -6.199 10.278 1.00 75.24 C ATOM 1211 CD GLU A 80 -2.587 -6.972 10.873 1.00 63.03 C ATOM 1212 OE1 GLU A 80 -2.255 -6.729 12.052 1.00 15.22 O ATOM 1213 OE2 GLU A 80 -2.010 -7.820 10.161 1.00 64.31 O ATOM 0 H GLU A 80 -4.686 -3.669 8.667 1.00 60.15 H new ATOM 0 HA GLU A 80 -2.497 -3.025 10.389 1.00 75.55 H new ATOM 0 HB2 GLU A 80 -3.379 -4.664 11.721 1.00 31.40 H new ATOM 0 HB3 GLU A 80 -4.785 -4.381 10.714 1.00 31.40 H new ATOM 0 HG2 GLU A 80 -4.683 -6.667 10.580 1.00 75.24 H new ATOM 0 HG3 GLU A 80 -3.696 -6.258 9.191 1.00 75.24 H new ATOM 1220 N GLU A 81 -2.009 -5.125 7.955 1.00 14.21 N ATOM 1221 CA GLU A 81 -1.001 -5.905 7.249 1.00 40.33 C ATOM 1222 C GLU A 81 0.167 -5.022 6.818 1.00 1.44 C ATOM 1223 O GLU A 81 1.327 -5.321 7.108 1.00 73.41 O ATOM 1224 CB GLU A 81 -1.616 -6.587 6.025 1.00 21.20 C ATOM 1225 CG GLU A 81 -0.637 -7.460 5.258 1.00 41.44 C ATOM 1226 CD GLU A 81 0.033 -8.497 6.138 1.00 42.43 C ATOM 1227 OE1 GLU A 81 -0.614 -8.975 7.092 1.00 14.44 O ATOM 1228 OE2 GLU A 81 1.207 -8.832 5.870 1.00 71.33 O ATOM 0 H GLU A 81 -2.882 -5.001 7.442 1.00 14.21 H new ATOM 0 HA GLU A 81 -0.626 -6.668 7.931 1.00 40.33 H new ATOM 0 HB2 GLU A 81 -2.460 -7.198 6.346 1.00 21.20 H new ATOM 0 HB3 GLU A 81 -2.011 -5.824 5.355 1.00 21.20 H new ATOM 0 HG2 GLU A 81 -1.163 -7.963 4.446 1.00 41.44 H new ATOM 0 HG3 GLU A 81 0.126 -6.829 4.801 1.00 41.44 H new ATOM 1235 N LEU A 82 -0.147 -3.933 6.124 1.00 65.31 N ATOM 1236 CA LEU A 82 0.876 -3.006 5.652 1.00 53.11 C ATOM 1237 C LEU A 82 1.353 -2.101 6.782 1.00 4.33 C ATOM 1238 O LEU A 82 2.502 -1.659 6.795 1.00 14.42 O ATOM 1239 CB LEU A 82 0.331 -2.159 4.500 1.00 65.00 C ATOM 1240 CG LEU A 82 -0.256 -2.932 3.318 1.00 12.33 C ATOM 1241 CD1 LEU A 82 -1.518 -2.251 2.811 1.00 60.35 C ATOM 1242 CD2 LEU A 82 0.770 -3.059 2.201 1.00 13.14 C ATOM 0 H LEU A 82 -1.101 -3.671 5.876 1.00 65.31 H new ATOM 0 HA LEU A 82 1.725 -3.590 5.296 1.00 53.11 H new ATOM 0 HB2 LEU A 82 -0.440 -1.498 4.895 1.00 65.00 H new ATOM 0 HB3 LEU A 82 1.136 -1.524 4.130 1.00 65.00 H new ATOM 0 HG LEU A 82 -0.519 -3.934 3.657 1.00 12.33 H new ATOM 0 HD11 LEU A 82 -1.923 -2.814 1.970 1.00 60.35 H new ATOM 0 HD12 LEU A 82 -2.257 -2.213 3.611 1.00 60.35 H new ATOM 0 HD13 LEU A 82 -1.280 -1.238 2.488 1.00 60.35 H new ATOM 0 HD21 LEU A 82 0.335 -3.612 1.368 1.00 13.14 H new ATOM 0 HD22 LEU A 82 1.064 -2.066 1.863 1.00 13.14 H new ATOM 0 HD23 LEU A 82 1.647 -3.591 2.571 1.00 13.14 H new ATOM 1254 N GLY A 83 0.464 -1.830 7.733 1.00 31.14 N ATOM 1255 CA GLY A 83 0.814 -0.981 8.856 1.00 34.41 C ATOM 1256 C GLY A 83 0.567 0.487 8.572 1.00 73.12 C ATOM 1257 O GLY A 83 1.277 1.354 9.084 1.00 41.45 O ATOM 0 H GLY A 83 -0.493 -2.184 7.745 1.00 31.14 H new ATOM 0 HA2 GLY A 83 0.235 -1.281 9.729 1.00 34.41 H new ATOM 0 HA3 GLY A 83 1.865 -1.128 9.105 1.00 34.41 H new ATOM 1261 N ILE A 84 -0.442 0.768 7.754 1.00 43.13 N ATOM 1262 CA ILE A 84 -0.781 2.142 7.403 1.00 44.13 C ATOM 1263 C ILE A 84 -2.043 2.599 8.125 1.00 74.23 C ATOM 1264 O ILE A 84 -2.591 1.877 8.956 1.00 74.13 O ATOM 1265 CB ILE A 84 -0.985 2.300 5.884 1.00 0.41 C ATOM 1266 CG1 ILE A 84 -2.150 1.430 5.411 1.00 61.04 C ATOM 1267 CG2 ILE A 84 0.291 1.939 5.138 1.00 14.51 C ATOM 1268 CD1 ILE A 84 -2.525 1.657 3.963 1.00 12.51 C ATOM 0 H ILE A 84 -1.039 0.063 7.322 1.00 43.13 H new ATOM 0 HA ILE A 84 0.058 2.764 7.716 1.00 44.13 H new ATOM 0 HB ILE A 84 -1.225 3.342 5.671 1.00 0.41 H new ATOM 0 HG12 ILE A 84 -1.889 0.381 5.550 1.00 61.04 H new ATOM 0 HG13 ILE A 84 -3.019 1.628 6.038 1.00 61.04 H new ATOM 0 HG21 ILE A 84 0.131 2.056 4.066 1.00 14.51 H new ATOM 0 HG22 ILE A 84 1.098 2.598 5.458 1.00 14.51 H new ATOM 0 HG23 ILE A 84 0.559 0.905 5.355 1.00 14.51 H new ATOM 0 HD11 ILE A 84 -3.358 1.007 3.697 1.00 12.51 H new ATOM 0 HD12 ILE A 84 -2.817 2.698 3.822 1.00 12.51 H new ATOM 0 HD13 ILE A 84 -1.670 1.431 3.326 1.00 12.51 H new ATOM 1280 N GLY A 85 -2.501 3.805 7.799 1.00 62.44 N ATOM 1281 CA GLY A 85 -3.697 4.337 8.424 1.00 23.51 C ATOM 1282 C GLY A 85 -4.819 4.564 7.430 1.00 60.53 C ATOM 1283 O GLY A 85 -5.253 5.697 7.223 1.00 24.02 O ATOM 0 H GLY A 85 -2.065 4.422 7.114 1.00 62.44 H new ATOM 0 HA2 GLY A 85 -4.036 3.648 9.198 1.00 23.51 H new ATOM 0 HA3 GLY A 85 -3.457 5.279 8.918 1.00 23.51 H new ATOM 1287 N GLN A 86 -5.288 3.484 6.813 1.00 21.12 N ATOM 1288 CA GLN A 86 -6.365 3.572 5.833 1.00 4.23 C ATOM 1289 C GLN A 86 -7.564 4.317 6.408 1.00 14.24 C ATOM 1290 O GLN A 86 -7.618 4.598 7.606 1.00 61.44 O ATOM 1291 CB GLN A 86 -6.788 2.173 5.382 1.00 43.33 C ATOM 1292 CG GLN A 86 -6.241 1.783 4.017 1.00 31.34 C ATOM 1293 CD GLN A 86 -6.306 0.289 3.769 1.00 44.34 C ATOM 1294 OE1 GLN A 86 -7.212 -0.393 4.246 1.00 20.31 O ATOM 1295 NE2 GLN A 86 -5.340 -0.227 3.017 1.00 71.51 N ATOM 0 H GLN A 86 -4.940 2.539 6.974 1.00 21.12 H new ATOM 0 HA GLN A 86 -5.994 4.127 4.972 1.00 4.23 H new ATOM 0 HB2 GLN A 86 -6.452 1.445 6.120 1.00 43.33 H new ATOM 0 HB3 GLN A 86 -7.877 2.122 5.356 1.00 43.33 H new ATOM 0 HG2 GLN A 86 -6.805 2.301 3.242 1.00 31.34 H new ATOM 0 HG3 GLN A 86 -5.207 2.117 3.935 1.00 31.34 H new ATOM 0 HE21 GLN A 86 -4.608 0.377 2.642 1.00 71.51 H new ATOM 0 HE22 GLN A 86 -5.330 -1.227 2.815 1.00 71.51 H new