USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=13 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= 0.113 K(o=-4.4,f=-1.2) USER MOD Set 1.2: A 86 GLN : amide:sc= -4.53! K(o=-4.4!,f=-1.2) USER MOD Set 2.1: A 68 SER OG : rot 180:sc= -0.0456 USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 31 CYS SG : rot 141:sc= 0.541 USER MOD Set 3.2: A 34 CYS SG : rot -57:sc= 0.727 USER MOD Set 3.3: A 56 CYS SG : rot 116:sc= 0.0738 USER MOD Set 3.4: A 57 MET CE :methyl 151:sc= -1.66 (180deg=-1.98!) USER MOD Set 3.5: A 67 CYS SG : rot -168:sc= 0.433 USER MOD Single : A 26 SER OG : rot 31:sc= 0.177 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= -2.63 K(o=-2.6,f=-0.95) USER MOD Single : A 59 ASN : amide:sc= 0.278 K(o=0.28,f=-4.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 71 GLN : amide:sc= -3.84 X(o=-3.8,f=-4.1!) USER MOD Single : A 73 MET CE :methyl -157:sc= -1.6 (180deg=-2.34) USER MOD Single : A 74 SER OG : rot 180:sc= -0.896 USER MOD Single : A 79 ASN : amide:sc= -0.914 K(o=-0.91,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.555 -12.433 -1.393 1.00 24.10 N ATOM 367 CA SER A 26 3.258 -11.845 -1.707 1.00 43.13 C ATOM 368 C SER A 26 3.301 -10.326 -1.565 1.00 60.31 C ATOM 369 O SER A 26 3.902 -9.795 -0.632 1.00 42.12 O ATOM 370 CB SER A 26 2.178 -12.423 -0.790 1.00 64.14 C ATOM 371 OG SER A 26 2.224 -13.839 -0.778 1.00 44.14 O ATOM 0 HA SER A 26 3.017 -12.089 -2.741 1.00 43.13 H new ATOM 0 HB2 SER A 26 2.315 -12.043 0.222 1.00 64.14 H new ATOM 0 HB3 SER A 26 1.196 -12.091 -1.125 1.00 64.14 H new ATOM 0 HG SER A 26 3.148 -14.137 -0.910 1.00 44.14 H new ATOM 377 N ALA A 27 2.659 -9.633 -2.500 1.00 73.45 N ATOM 378 CA ALA A 27 2.622 -8.177 -2.481 1.00 5.12 C ATOM 379 C ALA A 27 1.194 -7.662 -2.634 1.00 31.22 C ATOM 380 O ALA A 27 0.306 -8.390 -3.076 1.00 52.31 O ATOM 381 CB ALA A 27 3.510 -7.610 -3.578 1.00 55.32 C ATOM 0 H ALA A 27 2.157 -10.057 -3.280 1.00 73.45 H new ATOM 0 HA ALA A 27 3.000 -7.842 -1.515 1.00 5.12 H new ATOM 0 HB1 ALA A 27 3.472 -6.521 -3.551 1.00 55.32 H new ATOM 0 HB2 ALA A 27 4.537 -7.941 -3.422 1.00 55.32 H new ATOM 0 HB3 ALA A 27 3.159 -7.961 -4.548 1.00 55.32 H new ATOM 387 N TRP A 28 0.982 -6.404 -2.267 1.00 22.22 N ATOM 388 CA TRP A 28 -0.339 -5.792 -2.364 1.00 30.23 C ATOM 389 C TRP A 28 -0.460 -4.957 -3.634 1.00 71.41 C ATOM 390 O TRP A 28 0.416 -4.151 -3.945 1.00 12.45 O ATOM 391 CB TRP A 28 -0.611 -4.920 -1.138 1.00 11.51 C ATOM 392 CG TRP A 28 -1.240 -5.670 -0.003 1.00 43.00 C ATOM 393 CD1 TRP A 28 -0.700 -5.892 1.232 1.00 2.21 C ATOM 394 CD2 TRP A 28 -2.527 -6.298 0.000 1.00 2.42 C ATOM 395 NE1 TRP A 28 -1.573 -6.621 2.002 1.00 64.01 N ATOM 396 CE2 TRP A 28 -2.701 -6.882 1.271 1.00 22.23 C ATOM 397 CE3 TRP A 28 -3.548 -6.423 -0.945 1.00 12.52 C ATOM 398 CZ2 TRP A 28 -3.856 -7.579 1.616 1.00 70.23 C ATOM 399 CZ3 TRP A 28 -4.693 -7.116 -0.600 1.00 34.24 C ATOM 400 CH2 TRP A 28 -4.840 -7.685 0.672 1.00 75.10 C ATOM 0 H TRP A 28 1.707 -5.787 -1.900 1.00 22.22 H new ATOM 0 HA TRP A 28 -1.080 -6.591 -2.405 1.00 30.23 H new ATOM 0 HB2 TRP A 28 0.327 -4.481 -0.798 1.00 11.51 H new ATOM 0 HB3 TRP A 28 -1.264 -4.095 -1.425 1.00 11.51 H new ATOM 0 HD1 TRP A 28 0.270 -5.545 1.555 1.00 2.21 H new ATOM 0 HE1 TRP A 28 -1.408 -6.920 2.963 1.00 64.01 H new ATOM 0 HE3 TRP A 28 -3.445 -5.986 -1.927 1.00 12.52 H new ATOM 0 HZ2 TRP A 28 -3.971 -8.021 2.595 1.00 70.23 H new ATOM 0 HZ3 TRP A 28 -5.488 -7.221 -1.323 1.00 34.24 H new ATOM 0 HH2 TRP A 28 -5.748 -8.218 0.912 1.00 75.10 H new ATOM 411 N VAL A 29 -1.552 -5.154 -4.366 1.00 43.45 N ATOM 412 CA VAL A 29 -1.788 -4.418 -5.602 1.00 42.24 C ATOM 413 C VAL A 29 -3.204 -3.854 -5.643 1.00 5.02 C ATOM 414 O VAL A 29 -4.147 -4.479 -5.158 1.00 31.20 O ATOM 415 CB VAL A 29 -1.567 -5.310 -6.837 1.00 53.24 C ATOM 416 CG1 VAL A 29 -2.554 -6.467 -6.845 1.00 64.43 C ATOM 417 CG2 VAL A 29 -1.683 -4.491 -8.114 1.00 3.34 C ATOM 0 H VAL A 29 -2.288 -5.818 -4.124 1.00 43.45 H new ATOM 0 HA VAL A 29 -1.072 -3.597 -5.624 1.00 42.24 H new ATOM 0 HB VAL A 29 -0.560 -5.724 -6.788 1.00 53.24 H new ATOM 0 HG11 VAL A 29 -2.382 -7.086 -7.726 1.00 64.43 H new ATOM 0 HG12 VAL A 29 -2.417 -7.068 -5.946 1.00 64.43 H new ATOM 0 HG13 VAL A 29 -3.572 -6.077 -6.869 1.00 64.43 H new ATOM 0 HG21 VAL A 29 -1.524 -5.138 -8.977 1.00 3.34 H new ATOM 0 HG22 VAL A 29 -2.676 -4.046 -8.172 1.00 3.34 H new ATOM 0 HG23 VAL A 29 -0.932 -3.701 -8.109 1.00 3.34 H new ATOM 427 N ARG A 30 -3.345 -2.668 -6.226 1.00 45.33 N ATOM 428 CA ARG A 30 -4.646 -2.018 -6.330 1.00 23.22 C ATOM 429 C ARG A 30 -5.157 -2.051 -7.768 1.00 52.34 C ATOM 430 O ARG A 30 -4.382 -1.922 -8.717 1.00 43.31 O ATOM 431 CB ARG A 30 -4.558 -0.571 -5.842 1.00 11.40 C ATOM 432 CG ARG A 30 -5.910 0.111 -5.710 1.00 64.21 C ATOM 433 CD ARG A 30 -5.869 1.536 -6.239 1.00 2.22 C ATOM 434 NE ARG A 30 -5.685 1.578 -7.687 1.00 3.33 N ATOM 435 CZ ARG A 30 -5.412 2.689 -8.362 1.00 25.12 C ATOM 436 NH1 ARG A 30 -5.292 3.844 -7.722 1.00 22.13 N ATOM 437 NH2 ARG A 30 -5.259 2.646 -9.679 1.00 1.44 N ATOM 0 H ARG A 30 -2.575 -2.138 -6.633 1.00 45.33 H new ATOM 0 HA ARG A 30 -5.348 -2.564 -5.700 1.00 23.22 H new ATOM 0 HB2 ARG A 30 -4.055 -0.553 -4.875 1.00 11.40 H new ATOM 0 HB3 ARG A 30 -3.939 -0.000 -6.534 1.00 11.40 H new ATOM 0 HG2 ARG A 30 -6.661 -0.459 -6.256 1.00 64.21 H new ATOM 0 HG3 ARG A 30 -6.214 0.119 -4.663 1.00 64.21 H new ATOM 0 HD2 ARG A 30 -6.795 2.047 -5.977 1.00 2.22 H new ATOM 0 HD3 ARG A 30 -5.057 2.079 -5.755 1.00 2.22 H new ATOM 0 HE ARG A 30 -5.771 0.706 -8.209 1.00 3.33 H new ATOM 0 HH11 ARG A 30 -5.409 3.881 -6.709 1.00 22.13 H new ATOM 0 HH12 ARG A 30 -5.082 4.696 -8.242 1.00 22.13 H new ATOM 0 HH21 ARG A 30 -5.351 1.759 -10.174 1.00 1.44 H new ATOM 0 HH22 ARG A 30 -5.049 3.500 -10.196 1.00 1.44 H new ATOM 451 N CYS A 31 -6.465 -2.226 -7.922 1.00 13.45 N ATOM 452 CA CYS A 31 -7.080 -2.276 -9.243 1.00 50.12 C ATOM 453 C CYS A 31 -7.206 -0.877 -9.839 1.00 44.51 C ATOM 454 O CYS A 31 -7.489 0.088 -9.128 1.00 74.15 O ATOM 455 CB CYS A 31 -8.459 -2.935 -9.162 1.00 3.44 C ATOM 456 SG CYS A 31 -9.257 -3.190 -10.779 1.00 23.20 S ATOM 0 H CYS A 31 -7.120 -2.336 -7.148 1.00 13.45 H new ATOM 0 HA CYS A 31 -6.438 -2.871 -9.893 1.00 50.12 H new ATOM 0 HB2 CYS A 31 -8.361 -3.898 -8.661 1.00 3.44 H new ATOM 0 HB3 CYS A 31 -9.109 -2.318 -8.541 1.00 3.44 H new ATOM 0 HG CYS A 31 -9.877 -4.333 -10.782 1.00 23.20 H new ATOM 461 N ASP A 32 -6.993 -0.776 -11.147 1.00 43.51 N ATOM 462 CA ASP A 32 -7.084 0.504 -11.839 1.00 42.31 C ATOM 463 C ASP A 32 -8.435 0.652 -12.531 1.00 24.13 C ATOM 464 O ASP A 32 -8.542 1.295 -13.576 1.00 52.42 O ATOM 465 CB ASP A 32 -5.955 0.636 -12.862 1.00 72.13 C ATOM 466 CG ASP A 32 -5.369 2.034 -12.901 1.00 51.54 C ATOM 467 OD1 ASP A 32 -6.046 2.975 -12.437 1.00 70.43 O ATOM 468 OD2 ASP A 32 -4.233 2.186 -13.395 1.00 44.41 O ATOM 0 H ASP A 32 -6.756 -1.565 -11.749 1.00 43.51 H new ATOM 0 HA ASP A 32 -6.987 1.298 -11.098 1.00 42.31 H new ATOM 0 HB2 ASP A 32 -5.167 -0.078 -12.623 1.00 72.13 H new ATOM 0 HB3 ASP A 32 -6.332 0.376 -13.851 1.00 72.13 H new ATOM 473 N ASP A 33 -9.465 0.054 -11.942 1.00 35.11 N ATOM 474 CA ASP A 33 -10.810 0.118 -12.502 1.00 13.15 C ATOM 475 C ASP A 33 -11.848 0.307 -11.401 1.00 74.14 C ATOM 476 O ASP A 33 -12.758 1.127 -11.524 1.00 61.21 O ATOM 477 CB ASP A 33 -11.116 -1.151 -13.299 1.00 45.41 C ATOM 478 CG ASP A 33 -12.432 -1.062 -14.046 1.00 3.14 C ATOM 479 OD1 ASP A 33 -12.485 -0.348 -15.070 1.00 65.04 O ATOM 480 OD2 ASP A 33 -13.408 -1.706 -13.608 1.00 64.50 O ATOM 0 H ASP A 33 -9.394 -0.481 -11.076 1.00 35.11 H new ATOM 0 HA ASP A 33 -10.858 0.977 -13.172 1.00 13.15 H new ATOM 0 HB2 ASP A 33 -10.310 -1.334 -14.010 1.00 45.41 H new ATOM 0 HB3 ASP A 33 -11.143 -2.004 -12.621 1.00 45.41 H new ATOM 485 N CYS A 34 -11.707 -0.461 -10.325 1.00 5.04 N ATOM 486 CA CYS A 34 -12.633 -0.381 -9.201 1.00 75.12 C ATOM 487 C CYS A 34 -11.935 0.165 -7.959 1.00 73.14 C ATOM 488 O CYS A 34 -12.582 0.484 -6.961 1.00 1.23 O ATOM 489 CB CYS A 34 -13.226 -1.759 -8.904 1.00 50.14 C ATOM 490 SG CYS A 34 -11.998 -3.000 -8.380 1.00 32.12 S ATOM 0 H CYS A 34 -10.960 -1.146 -10.208 1.00 5.04 H new ATOM 0 HA CYS A 34 -13.438 0.302 -9.472 1.00 75.12 H new ATOM 0 HB2 CYS A 34 -13.980 -1.658 -8.124 1.00 50.14 H new ATOM 0 HB3 CYS A 34 -13.737 -2.123 -9.796 1.00 50.14 H new ATOM 0 HG CYS A 34 -11.077 -3.111 -9.291 1.00 32.12 H new ATOM 495 N PHE A 35 -10.612 0.268 -8.027 1.00 72.34 N ATOM 496 CA PHE A 35 -9.826 0.773 -6.908 1.00 51.33 C ATOM 497 C PHE A 35 -10.043 -0.080 -5.662 1.00 41.31 C ATOM 498 O PHE A 35 -10.698 0.346 -4.710 1.00 55.15 O ATOM 499 CB PHE A 35 -10.195 2.229 -6.614 1.00 40.10 C ATOM 500 CG PHE A 35 -9.831 3.175 -7.722 1.00 54.40 C ATOM 501 CD1 PHE A 35 -10.662 3.333 -8.819 1.00 63.44 C ATOM 502 CD2 PHE A 35 -8.655 3.906 -7.667 1.00 25.14 C ATOM 503 CE1 PHE A 35 -10.331 4.202 -9.840 1.00 12.14 C ATOM 504 CE2 PHE A 35 -8.318 4.779 -8.685 1.00 44.12 C ATOM 505 CZ PHE A 35 -9.155 4.926 -9.774 1.00 25.12 C ATOM 0 H PHE A 35 -10.062 0.008 -8.846 1.00 72.34 H new ATOM 0 HA PHE A 35 -8.773 0.721 -7.183 1.00 51.33 H new ATOM 0 HB2 PHE A 35 -11.267 2.294 -6.430 1.00 40.10 H new ATOM 0 HB3 PHE A 35 -9.695 2.545 -5.699 1.00 40.10 H new ATOM 0 HD1 PHE A 35 -11.581 2.769 -8.877 1.00 63.44 H new ATOM 0 HD2 PHE A 35 -7.995 3.793 -6.820 1.00 25.14 H new ATOM 0 HE1 PHE A 35 -10.990 4.316 -10.688 1.00 12.14 H new ATOM 0 HE2 PHE A 35 -7.400 5.346 -8.629 1.00 44.12 H new ATOM 0 HZ PHE A 35 -8.891 5.605 -10.572 1.00 25.12 H new ATOM 515 N LYS A 36 -9.489 -1.288 -5.675 1.00 11.23 N ATOM 516 CA LYS A 36 -9.619 -2.203 -4.547 1.00 23.33 C ATOM 517 C LYS A 36 -8.314 -2.952 -4.301 1.00 63.12 C ATOM 518 O LYS A 36 -7.578 -3.261 -5.239 1.00 65.24 O ATOM 519 CB LYS A 36 -10.752 -3.198 -4.801 1.00 60.25 C ATOM 520 CG LYS A 36 -11.260 -3.876 -3.540 1.00 73.14 C ATOM 521 CD LYS A 36 -11.963 -2.892 -2.621 1.00 23.35 C ATOM 522 CE LYS A 36 -13.192 -2.290 -3.285 1.00 41.40 C ATOM 523 NZ LYS A 36 -14.409 -2.443 -2.440 1.00 13.14 N ATOM 0 H LYS A 36 -8.945 -1.656 -6.455 1.00 11.23 H new ATOM 0 HA LYS A 36 -9.852 -1.616 -3.659 1.00 23.33 H new ATOM 0 HB2 LYS A 36 -11.580 -2.678 -5.283 1.00 60.25 H new ATOM 0 HB3 LYS A 36 -10.405 -3.960 -5.499 1.00 60.25 H new ATOM 0 HG2 LYS A 36 -11.947 -4.678 -3.809 1.00 73.14 H new ATOM 0 HG3 LYS A 36 -10.425 -4.336 -3.011 1.00 73.14 H new ATOM 0 HD2 LYS A 36 -12.256 -3.397 -1.701 1.00 23.35 H new ATOM 0 HD3 LYS A 36 -11.272 -2.096 -2.342 1.00 23.35 H new ATOM 0 HE2 LYS A 36 -13.017 -1.232 -3.482 1.00 41.40 H new ATOM 0 HE3 LYS A 36 -13.356 -2.771 -4.249 1.00 41.40 H new ATOM 0 HZ1 LYS A 36 -15.225 -2.020 -2.927 1.00 13.14 H new ATOM 0 HZ2 LYS A 36 -14.591 -3.453 -2.273 1.00 13.14 H new ATOM 0 HZ3 LYS A 36 -14.262 -1.962 -1.530 1.00 13.14 H new ATOM 537 N TRP A 37 -8.033 -3.242 -3.036 1.00 24.11 N ATOM 538 CA TRP A 37 -6.817 -3.958 -2.667 1.00 2.25 C ATOM 539 C TRP A 37 -6.902 -5.423 -3.079 1.00 12.04 C ATOM 540 O TRP A 37 -7.960 -6.043 -2.986 1.00 70.44 O ATOM 541 CB TRP A 37 -6.576 -3.852 -1.160 1.00 55.23 C ATOM 542 CG TRP A 37 -5.735 -2.673 -0.774 1.00 14.52 C ATOM 543 CD1 TRP A 37 -6.014 -1.747 0.189 1.00 64.11 C ATOM 544 CD2 TRP A 37 -4.478 -2.294 -1.345 1.00 52.11 C ATOM 545 NE1 TRP A 37 -5.007 -0.814 0.252 1.00 63.21 N ATOM 546 CE2 TRP A 37 -4.053 -1.128 -0.678 1.00 15.41 C ATOM 547 CE3 TRP A 37 -3.669 -2.827 -2.353 1.00 51.30 C ATOM 548 CZ2 TRP A 37 -2.856 -0.488 -0.989 1.00 75.52 C ATOM 549 CZ3 TRP A 37 -2.482 -2.190 -2.660 1.00 51.22 C ATOM 550 CH2 TRP A 37 -2.084 -1.031 -1.980 1.00 13.41 C ATOM 0 H TRP A 37 -8.631 -2.992 -2.248 1.00 24.11 H new ATOM 0 HA TRP A 37 -5.981 -3.500 -3.195 1.00 2.25 H new ATOM 0 HB2 TRP A 37 -7.537 -3.786 -0.649 1.00 55.23 H new ATOM 0 HB3 TRP A 37 -6.092 -4.764 -0.812 1.00 55.23 H new ATOM 0 HD1 TRP A 37 -6.897 -1.747 0.811 1.00 64.11 H new ATOM 0 HE1 TRP A 37 -4.976 -0.017 0.888 1.00 63.21 H new ATOM 0 HE3 TRP A 37 -3.966 -3.720 -2.882 1.00 51.30 H new ATOM 0 HZ2 TRP A 37 -2.548 0.405 -0.466 1.00 75.52 H new ATOM 0 HZ3 TRP A 37 -1.850 -2.592 -3.438 1.00 51.22 H new ATOM 0 HH2 TRP A 37 -1.150 -0.557 -2.243 1.00 13.41 H new ATOM 561 N ARG A 38 -5.779 -5.970 -3.536 1.00 4.12 N ATOM 562 CA ARG A 38 -5.728 -7.363 -3.963 1.00 13.03 C ATOM 563 C ARG A 38 -4.373 -7.983 -3.634 1.00 32.42 C ATOM 564 O ARG A 38 -3.330 -7.469 -4.037 1.00 12.55 O ATOM 565 CB ARG A 38 -5.997 -7.467 -5.466 1.00 51.53 C ATOM 566 CG ARG A 38 -6.815 -8.688 -5.855 1.00 43.31 C ATOM 567 CD ARG A 38 -8.272 -8.328 -6.097 1.00 1.31 C ATOM 568 NE ARG A 38 -9.153 -9.483 -5.952 1.00 71.01 N ATOM 569 CZ ARG A 38 -10.475 -9.420 -6.071 1.00 1.53 C ATOM 570 NH1 ARG A 38 -11.064 -8.262 -6.334 1.00 32.54 N ATOM 571 NH2 ARG A 38 -11.208 -10.515 -5.925 1.00 62.21 N ATOM 0 H ARG A 38 -4.894 -5.470 -3.620 1.00 4.12 H new ATOM 0 HA ARG A 38 -6.500 -7.912 -3.423 1.00 13.03 H new ATOM 0 HB2 ARG A 38 -6.520 -6.569 -5.796 1.00 51.53 H new ATOM 0 HB3 ARG A 38 -5.045 -7.494 -5.996 1.00 51.53 H new ATOM 0 HG2 ARG A 38 -6.395 -9.137 -6.756 1.00 43.31 H new ATOM 0 HG3 ARG A 38 -6.750 -9.437 -5.066 1.00 43.31 H new ATOM 0 HD2 ARG A 38 -8.575 -7.551 -5.395 1.00 1.31 H new ATOM 0 HD3 ARG A 38 -8.381 -7.913 -7.099 1.00 1.31 H new ATOM 0 HE ARG A 38 -8.730 -10.389 -5.748 1.00 71.01 H new ATOM 0 HH11 ARG A 38 -10.502 -7.418 -6.445 1.00 32.54 H new ATOM 0 HH12 ARG A 38 -12.079 -8.215 -6.425 1.00 32.54 H new ATOM 0 HH21 ARG A 38 -10.757 -11.407 -5.721 1.00 62.21 H new ATOM 0 HH22 ARG A 38 -12.223 -10.465 -6.017 1.00 62.21 H new ATOM 585 N ARG A 39 -4.398 -9.089 -2.898 1.00 55.22 N ATOM 586 CA ARG A 39 -3.172 -9.779 -2.514 1.00 13.22 C ATOM 587 C ARG A 39 -2.723 -10.742 -3.608 1.00 53.21 C ATOM 588 O ARG A 39 -3.480 -11.620 -4.025 1.00 1.45 O ATOM 589 CB ARG A 39 -3.379 -10.539 -1.203 1.00 41.12 C ATOM 590 CG ARG A 39 -2.083 -10.895 -0.493 1.00 41.10 C ATOM 591 CD ARG A 39 -2.187 -12.235 0.218 1.00 13.44 C ATOM 592 NE ARG A 39 -1.345 -12.289 1.410 1.00 62.10 N ATOM 593 CZ ARG A 39 -1.329 -13.315 2.253 1.00 55.31 C ATOM 594 NH1 ARG A 39 -2.104 -14.369 2.034 1.00 45.11 N ATOM 595 NH2 ARG A 39 -0.536 -13.290 3.316 1.00 54.01 N ATOM 0 H ARG A 39 -5.253 -9.527 -2.556 1.00 55.22 H new ATOM 0 HA ARG A 39 -2.393 -9.030 -2.373 1.00 13.22 H new ATOM 0 HB2 ARG A 39 -3.994 -9.935 -0.536 1.00 41.12 H new ATOM 0 HB3 ARG A 39 -3.934 -11.454 -1.408 1.00 41.12 H new ATOM 0 HG2 ARG A 39 -1.268 -10.928 -1.216 1.00 41.10 H new ATOM 0 HG3 ARG A 39 -1.837 -10.117 0.229 1.00 41.10 H new ATOM 0 HD2 ARG A 39 -3.224 -12.417 0.499 1.00 13.44 H new ATOM 0 HD3 ARG A 39 -1.897 -13.032 -0.467 1.00 13.44 H new ATOM 0 HE ARG A 39 -0.736 -11.495 1.606 1.00 62.10 H new ATOM 0 HH11 ARG A 39 -2.714 -14.393 1.217 1.00 45.11 H new ATOM 0 HH12 ARG A 39 -2.090 -15.156 2.683 1.00 45.11 H new ATOM 0 HH21 ARG A 39 0.063 -12.482 3.487 1.00 54.01 H new ATOM 0 HH22 ARG A 39 -0.525 -14.079 3.963 1.00 54.01 H new ATOM 609 N ILE A 40 -1.488 -10.572 -4.070 1.00 20.21 N ATOM 610 CA ILE A 40 -0.939 -11.427 -5.115 1.00 25.11 C ATOM 611 C ILE A 40 0.415 -11.994 -4.706 1.00 42.01 C ATOM 612 O ILE A 40 1.146 -11.409 -3.906 1.00 31.24 O ATOM 613 CB ILE A 40 -0.783 -10.663 -6.443 1.00 31.45 C ATOM 614 CG1 ILE A 40 0.398 -9.692 -6.362 1.00 71.41 C ATOM 615 CG2 ILE A 40 -2.066 -9.917 -6.779 1.00 30.53 C ATOM 616 CD1 ILE A 40 0.540 -8.810 -7.582 1.00 61.51 C ATOM 0 H ILE A 40 -0.849 -9.850 -3.737 1.00 20.21 H new ATOM 0 HA ILE A 40 -1.645 -12.245 -5.257 1.00 25.11 H new ATOM 0 HB ILE A 40 -0.585 -11.382 -7.238 1.00 31.45 H new ATOM 0 HG12 ILE A 40 0.280 -9.062 -5.480 1.00 71.41 H new ATOM 0 HG13 ILE A 40 1.317 -10.262 -6.226 1.00 71.41 H new ATOM 0 HG21 ILE A 40 -1.940 -9.382 -7.720 1.00 30.53 H new ATOM 0 HG22 ILE A 40 -2.887 -10.628 -6.873 1.00 30.53 H new ATOM 0 HG23 ILE A 40 -2.292 -9.206 -5.985 1.00 30.53 H new ATOM 0 HD11 ILE A 40 1.397 -8.148 -7.455 1.00 61.51 H new ATOM 0 HD12 ILE A 40 0.690 -9.432 -8.465 1.00 61.51 H new ATOM 0 HD13 ILE A 40 -0.364 -8.214 -7.707 1.00 61.51 H new ATOM 628 N PRO A 41 0.761 -13.163 -5.267 1.00 42.21 N ATOM 629 CA PRO A 41 2.031 -13.835 -4.977 1.00 44.40 C ATOM 630 C PRO A 41 3.227 -13.090 -5.558 1.00 35.53 C ATOM 631 O PRO A 41 3.095 -12.348 -6.531 1.00 25.12 O ATOM 632 CB PRO A 41 1.872 -15.200 -5.651 1.00 3.21 C ATOM 633 CG PRO A 41 0.880 -14.972 -6.739 1.00 15.14 C ATOM 634 CD PRO A 41 -0.061 -13.917 -6.227 1.00 73.22 C ATOM 0 HA PRO A 41 2.226 -13.893 -3.906 1.00 44.40 H new ATOM 0 HB2 PRO A 41 2.821 -15.558 -6.049 1.00 3.21 H new ATOM 0 HB3 PRO A 41 1.519 -15.952 -4.945 1.00 3.21 H new ATOM 0 HG2 PRO A 41 1.373 -14.644 -7.654 1.00 15.14 H new ATOM 0 HG3 PRO A 41 0.344 -15.891 -6.977 1.00 15.14 H new ATOM 0 HD2 PRO A 41 -0.425 -13.279 -7.032 1.00 73.22 H new ATOM 0 HD3 PRO A 41 -0.936 -14.357 -5.748 1.00 73.22 H new ATOM 642 N ALA A 42 4.395 -13.293 -4.956 1.00 33.41 N ATOM 643 CA ALA A 42 5.614 -12.642 -5.417 1.00 12.52 C ATOM 644 C ALA A 42 6.019 -13.146 -6.797 1.00 75.55 C ATOM 645 O ALA A 42 6.881 -12.563 -7.455 1.00 74.30 O ATOM 646 CB ALA A 42 6.741 -12.867 -4.420 1.00 10.44 C ATOM 0 H ALA A 42 4.522 -13.903 -4.148 1.00 33.41 H new ATOM 0 HA ALA A 42 5.418 -11.573 -5.494 1.00 12.52 H new ATOM 0 HB1 ALA A 42 7.646 -12.375 -4.777 1.00 10.44 H new ATOM 0 HB2 ALA A 42 6.459 -12.451 -3.453 1.00 10.44 H new ATOM 0 HB3 ALA A 42 6.926 -13.936 -4.315 1.00 10.44 H new ATOM 652 N SER A 43 5.392 -14.236 -7.232 1.00 3.15 N ATOM 653 CA SER A 43 5.690 -14.822 -8.533 1.00 41.31 C ATOM 654 C SER A 43 5.036 -14.020 -9.654 1.00 42.43 C ATOM 655 O SER A 43 5.608 -13.855 -10.731 1.00 2.22 O ATOM 656 CB SER A 43 5.211 -16.275 -8.583 1.00 1.24 C ATOM 657 OG SER A 43 6.304 -17.168 -8.702 1.00 54.20 O ATOM 0 H SER A 43 4.675 -14.730 -6.702 1.00 3.15 H new ATOM 0 HA SER A 43 6.770 -14.797 -8.676 1.00 41.31 H new ATOM 0 HB2 SER A 43 4.645 -16.506 -7.680 1.00 1.24 H new ATOM 0 HB3 SER A 43 4.534 -16.409 -9.427 1.00 1.24 H new ATOM 0 HG SER A 43 5.972 -18.090 -8.730 1.00 54.20 H new ATOM 663 N VAL A 44 3.832 -13.522 -9.391 1.00 71.15 N ATOM 664 CA VAL A 44 3.098 -12.736 -10.376 1.00 11.32 C ATOM 665 C VAL A 44 3.379 -11.247 -10.209 1.00 63.54 C ATOM 666 O VAL A 44 3.350 -10.487 -11.177 1.00 21.42 O ATOM 667 CB VAL A 44 1.580 -12.977 -10.269 1.00 3.41 C ATOM 668 CG1 VAL A 44 1.024 -12.327 -9.010 1.00 74.41 C ATOM 669 CG2 VAL A 44 0.869 -12.453 -11.507 1.00 50.31 C ATOM 0 H VAL A 44 3.344 -13.649 -8.504 1.00 71.15 H new ATOM 0 HA VAL A 44 3.440 -13.060 -11.359 1.00 11.32 H new ATOM 0 HB VAL A 44 1.404 -14.051 -10.204 1.00 3.41 H new ATOM 0 HG11 VAL A 44 -0.049 -12.507 -8.951 1.00 74.41 H new ATOM 0 HG12 VAL A 44 1.512 -12.754 -8.134 1.00 74.41 H new ATOM 0 HG13 VAL A 44 1.210 -11.254 -9.042 1.00 74.41 H new ATOM 0 HG21 VAL A 44 -0.202 -12.632 -11.414 1.00 50.31 H new ATOM 0 HG22 VAL A 44 1.051 -11.383 -11.606 1.00 50.31 H new ATOM 0 HG23 VAL A 44 1.248 -12.968 -12.390 1.00 50.31 H new ATOM 679 N VAL A 45 3.651 -10.837 -8.975 1.00 24.14 N ATOM 680 CA VAL A 45 3.939 -9.437 -8.680 1.00 72.34 C ATOM 681 C VAL A 45 5.096 -8.924 -9.530 1.00 33.21 C ATOM 682 O VAL A 45 5.205 -7.726 -9.790 1.00 53.12 O ATOM 683 CB VAL A 45 4.280 -9.236 -7.192 1.00 63.12 C ATOM 684 CG1 VAL A 45 5.756 -9.505 -6.941 1.00 63.05 C ATOM 685 CG2 VAL A 45 3.902 -7.831 -6.744 1.00 75.21 C ATOM 0 H VAL A 45 3.678 -11.453 -8.163 1.00 24.14 H new ATOM 0 HA VAL A 45 3.038 -8.871 -8.918 1.00 72.34 H new ATOM 0 HB VAL A 45 3.701 -9.949 -6.605 1.00 63.12 H new ATOM 0 HG11 VAL A 45 5.978 -9.358 -5.884 1.00 63.05 H new ATOM 0 HG12 VAL A 45 5.992 -10.531 -7.222 1.00 63.05 H new ATOM 0 HG13 VAL A 45 6.357 -8.819 -7.537 1.00 63.05 H new ATOM 0 HG21 VAL A 45 4.150 -7.706 -5.690 1.00 75.21 H new ATOM 0 HG22 VAL A 45 4.453 -7.100 -7.335 1.00 75.21 H new ATOM 0 HG23 VAL A 45 2.832 -7.680 -6.885 1.00 75.21 H new ATOM 695 N GLY A 46 5.958 -9.840 -9.960 1.00 74.20 N ATOM 696 CA GLY A 46 7.097 -9.460 -10.777 1.00 45.21 C ATOM 697 C GLY A 46 6.870 -9.735 -12.250 1.00 15.33 C ATOM 698 O GLY A 46 7.823 -9.857 -13.020 1.00 1.03 O ATOM 0 H GLY A 46 5.889 -10.837 -9.758 1.00 74.20 H new ATOM 0 HA2 GLY A 46 7.304 -8.399 -10.636 1.00 45.21 H new ATOM 0 HA3 GLY A 46 7.979 -10.004 -10.441 1.00 45.21 H new ATOM 702 N SER A 47 5.605 -9.834 -12.645 1.00 70.32 N ATOM 703 CA SER A 47 5.256 -10.101 -14.035 1.00 22.11 C ATOM 704 C SER A 47 4.135 -9.177 -14.501 1.00 33.12 C ATOM 705 O SER A 47 4.157 -8.676 -15.627 1.00 64.12 O ATOM 706 CB SER A 47 4.832 -11.561 -14.205 1.00 71.11 C ATOM 707 OG SER A 47 5.911 -12.355 -14.670 1.00 62.50 O ATOM 0 H SER A 47 4.804 -9.733 -12.021 1.00 70.32 H new ATOM 0 HA SER A 47 6.138 -9.912 -14.648 1.00 22.11 H new ATOM 0 HB2 SER A 47 4.473 -11.952 -13.253 1.00 71.11 H new ATOM 0 HB3 SER A 47 4.002 -11.622 -14.909 1.00 71.11 H new ATOM 0 HG SER A 47 5.615 -13.284 -14.769 1.00 62.50 H new ATOM 713 N ILE A 48 3.157 -8.956 -13.630 1.00 44.52 N ATOM 714 CA ILE A 48 2.029 -8.092 -13.951 1.00 24.23 C ATOM 715 C ILE A 48 2.478 -6.645 -14.132 1.00 44.34 C ATOM 716 O ILE A 48 1.783 -5.842 -14.754 1.00 70.43 O ATOM 717 CB ILE A 48 0.946 -8.149 -12.856 1.00 12.44 C ATOM 718 CG1 ILE A 48 1.528 -7.707 -11.511 1.00 61.33 C ATOM 719 CG2 ILE A 48 0.369 -9.553 -12.754 1.00 12.23 C ATOM 720 CD1 ILE A 48 1.301 -6.242 -11.207 1.00 55.45 C ATOM 0 H ILE A 48 3.123 -9.364 -12.696 1.00 44.52 H new ATOM 0 HA ILE A 48 1.607 -8.459 -14.887 1.00 24.23 H new ATOM 0 HB ILE A 48 0.141 -7.466 -13.125 1.00 12.44 H new ATOM 0 HG12 ILE A 48 1.084 -8.308 -10.717 1.00 61.33 H new ATOM 0 HG13 ILE A 48 2.599 -7.910 -11.503 1.00 61.33 H new ATOM 0 HG21 ILE A 48 -0.394 -9.577 -11.976 1.00 12.23 H new ATOM 0 HG22 ILE A 48 -0.076 -9.834 -13.709 1.00 12.23 H new ATOM 0 HG23 ILE A 48 1.164 -10.256 -12.504 1.00 12.23 H new ATOM 0 HD11 ILE A 48 1.740 -5.999 -10.239 1.00 55.45 H new ATOM 0 HD12 ILE A 48 1.769 -5.633 -11.981 1.00 55.45 H new ATOM 0 HD13 ILE A 48 0.231 -6.037 -11.182 1.00 55.45 H new ATOM 805 N TRP A 54 -2.515 -2.366 -12.798 1.00 45.33 N ATOM 806 CA TRP A 54 -2.974 -3.723 -12.518 1.00 11.54 C ATOM 807 C TRP A 54 -4.479 -3.749 -12.280 1.00 4.21 C ATOM 808 O TRP A 54 -5.044 -2.815 -11.709 1.00 13.24 O ATOM 809 CB TRP A 54 -2.243 -4.289 -11.300 1.00 50.52 C ATOM 810 CG TRP A 54 -2.712 -5.658 -10.909 1.00 40.20 C ATOM 811 CD1 TRP A 54 -2.103 -6.846 -11.195 1.00 45.35 C ATOM 812 CD2 TRP A 54 -3.891 -5.979 -10.162 1.00 34.12 C ATOM 813 NE1 TRP A 54 -2.832 -7.886 -10.671 1.00 40.10 N ATOM 814 CE2 TRP A 54 -3.934 -7.381 -10.032 1.00 12.42 C ATOM 815 CE3 TRP A 54 -4.914 -5.218 -9.589 1.00 35.14 C ATOM 816 CZ2 TRP A 54 -4.958 -8.034 -9.354 1.00 64.22 C ATOM 817 CZ3 TRP A 54 -5.931 -5.868 -8.917 1.00 51.22 C ATOM 818 CH2 TRP A 54 -5.947 -7.265 -8.803 1.00 21.42 C ATOM 0 HA TRP A 54 -2.751 -4.342 -13.387 1.00 11.54 H new ATOM 0 HB2 TRP A 54 -1.174 -4.325 -11.511 1.00 50.52 H new ATOM 0 HB3 TRP A 54 -2.378 -3.612 -10.457 1.00 50.52 H new ATOM 0 HD1 TRP A 54 -1.183 -6.953 -11.751 1.00 45.35 H new ATOM 0 HE1 TRP A 54 -2.592 -8.874 -10.746 1.00 40.10 H new ATOM 0 HE3 TRP A 54 -4.909 -4.141 -9.670 1.00 35.14 H new ATOM 0 HZ2 TRP A 54 -4.972 -9.110 -9.265 1.00 64.22 H new ATOM 0 HZ3 TRP A 54 -6.727 -5.290 -8.472 1.00 51.22 H new ATOM 0 HH2 TRP A 54 -6.755 -7.744 -8.270 1.00 21.42 H new ATOM 829 N ILE A 55 -5.124 -4.824 -12.720 1.00 61.23 N ATOM 830 CA ILE A 55 -6.565 -4.972 -12.553 1.00 41.53 C ATOM 831 C ILE A 55 -6.917 -6.353 -12.009 1.00 32.25 C ATOM 832 O ILE A 55 -6.077 -7.252 -11.979 1.00 51.44 O ATOM 833 CB ILE A 55 -7.311 -4.750 -13.881 1.00 21.51 C ATOM 834 CG1 ILE A 55 -6.583 -5.459 -15.025 1.00 63.41 C ATOM 835 CG2 ILE A 55 -7.445 -3.263 -14.172 1.00 12.23 C ATOM 836 CD1 ILE A 55 -7.206 -5.213 -16.382 1.00 54.21 C ATOM 0 H ILE A 55 -4.672 -5.605 -13.195 1.00 61.23 H new ATOM 0 HA ILE A 55 -6.879 -4.212 -11.838 1.00 41.53 H new ATOM 0 HB ILE A 55 -8.311 -5.174 -13.794 1.00 21.51 H new ATOM 0 HG12 ILE A 55 -5.545 -5.127 -15.045 1.00 63.41 H new ATOM 0 HG13 ILE A 55 -6.571 -6.531 -14.828 1.00 63.41 H new ATOM 0 HG21 ILE A 55 -7.975 -3.123 -15.114 1.00 12.23 H new ATOM 0 HG22 ILE A 55 -8.003 -2.784 -13.367 1.00 12.23 H new ATOM 0 HG23 ILE A 55 -6.454 -2.815 -14.243 1.00 12.23 H new ATOM 0 HD11 ILE A 55 -6.638 -5.746 -17.145 1.00 54.21 H new ATOM 0 HD12 ILE A 55 -8.236 -5.571 -16.380 1.00 54.21 H new ATOM 0 HD13 ILE A 55 -7.193 -4.145 -16.600 1.00 54.21 H new ATOM 848 N CYS A 56 -8.165 -6.514 -11.583 1.00 53.33 N ATOM 849 CA CYS A 56 -8.631 -7.786 -11.042 1.00 13.12 C ATOM 850 C CYS A 56 -8.474 -8.903 -12.069 1.00 60.23 C ATOM 851 O CYS A 56 -7.906 -9.955 -11.775 1.00 32.43 O ATOM 852 CB CYS A 56 -10.094 -7.675 -10.611 1.00 42.11 C ATOM 853 SG CYS A 56 -10.413 -6.360 -9.391 1.00 34.21 S ATOM 0 H CYS A 56 -8.872 -5.779 -11.602 1.00 53.33 H new ATOM 0 HA CYS A 56 -8.021 -8.028 -10.172 1.00 13.12 H new ATOM 0 HB2 CYS A 56 -10.709 -7.494 -11.493 1.00 42.11 H new ATOM 0 HB3 CYS A 56 -10.411 -8.630 -10.191 1.00 42.11 H new ATOM 0 HG CYS A 56 -11.200 -5.466 -9.912 1.00 34.21 H new ATOM 858 N MET A 57 -8.983 -8.667 -13.275 1.00 42.23 N ATOM 859 CA MET A 57 -8.899 -9.654 -14.345 1.00 34.41 C ATOM 860 C MET A 57 -7.445 -10.001 -14.651 1.00 31.52 C ATOM 861 O MET A 57 -7.156 -11.049 -15.227 1.00 14.24 O ATOM 862 CB MET A 57 -9.586 -9.128 -15.607 1.00 32.14 C ATOM 863 CG MET A 57 -9.060 -7.778 -16.068 1.00 70.23 C ATOM 864 SD MET A 57 -10.382 -6.614 -16.454 1.00 33.23 S ATOM 865 CE MET A 57 -10.890 -6.119 -14.809 1.00 53.42 C ATOM 0 H MET A 57 -9.457 -7.802 -13.535 1.00 42.23 H new ATOM 0 HA MET A 57 -9.408 -10.559 -14.013 1.00 34.41 H new ATOM 0 HB2 MET A 57 -9.456 -9.853 -16.410 1.00 32.14 H new ATOM 0 HB3 MET A 57 -10.657 -9.047 -15.421 1.00 32.14 H new ATOM 0 HG2 MET A 57 -8.424 -7.355 -15.290 1.00 70.23 H new ATOM 0 HG3 MET A 57 -8.435 -7.918 -16.950 1.00 70.23 H new ATOM 0 HE1 MET A 57 -11.284 -5.103 -14.840 1.00 53.42 H new ATOM 0 HE2 MET A 57 -11.663 -6.797 -14.447 1.00 53.42 H new ATOM 0 HE3 MET A 57 -10.032 -6.155 -14.137 1.00 53.42 H new ATOM 875 N ASN A 58 -6.535 -9.114 -14.262 1.00 31.44 N ATOM 876 CA ASN A 58 -5.112 -9.327 -14.496 1.00 15.04 C ATOM 877 C ASN A 58 -4.502 -10.193 -13.398 1.00 64.53 C ATOM 878 O ASN A 58 -3.359 -10.632 -13.502 1.00 51.41 O ATOM 879 CB ASN A 58 -4.379 -7.986 -14.569 1.00 42.44 C ATOM 880 CG ASN A 58 -4.224 -7.487 -15.993 1.00 61.24 C ATOM 881 OD1 ASN A 58 -3.156 -7.016 -16.385 1.00 65.13 O ATOM 882 ND2 ASN A 58 -5.293 -7.588 -16.774 1.00 62.21 N ATOM 0 H ASN A 58 -6.758 -8.241 -13.783 1.00 31.44 H new ATOM 0 HA ASN A 58 -5.001 -9.847 -15.447 1.00 15.04 H new ATOM 0 HB2 ASN A 58 -4.925 -7.245 -13.985 1.00 42.44 H new ATOM 0 HB3 ASN A 58 -3.394 -8.089 -14.114 1.00 42.44 H new ATOM 0 HD21 ASN A 58 -5.250 -7.268 -17.742 1.00 62.21 H new ATOM 0 HD22 ASN A 58 -6.158 -7.985 -16.406 1.00 62.21 H new ATOM 889 N ASN A 59 -5.278 -10.436 -12.346 1.00 24.10 N ATOM 890 CA ASN A 59 -4.816 -11.249 -11.227 1.00 72.43 C ATOM 891 C ASN A 59 -4.406 -12.641 -11.700 1.00 62.43 C ATOM 892 O ASN A 59 -4.980 -13.182 -12.645 1.00 25.31 O ATOM 893 CB ASN A 59 -5.912 -11.362 -10.165 1.00 13.20 C ATOM 894 CG ASN A 59 -5.374 -11.835 -8.828 1.00 12.41 C ATOM 895 OD1 ASN A 59 -4.162 -11.937 -8.635 1.00 71.11 O ATOM 896 ND2 ASN A 59 -6.275 -12.127 -7.898 1.00 3.34 N ATOM 0 H ASN A 59 -6.229 -10.082 -12.245 1.00 24.10 H new ATOM 0 HA ASN A 59 -3.945 -10.761 -10.790 1.00 72.43 H new ATOM 0 HB2 ASN A 59 -6.392 -10.392 -10.038 1.00 13.20 H new ATOM 0 HB3 ASN A 59 -6.679 -12.055 -10.511 1.00 13.20 H new ATOM 0 HD21 ASN A 59 -5.973 -12.451 -6.979 1.00 3.34 H new ATOM 0 HD22 ASN A 59 -7.269 -12.028 -8.102 1.00 3.34 H new ATOM 903 N SER A 60 -3.409 -13.216 -11.036 1.00 4.54 N ATOM 904 CA SER A 60 -2.919 -14.542 -11.389 1.00 42.25 C ATOM 905 C SER A 60 -3.958 -15.611 -11.062 1.00 33.23 C ATOM 906 O SER A 60 -3.993 -16.671 -11.686 1.00 15.40 O ATOM 907 CB SER A 60 -1.614 -14.842 -10.649 1.00 32.23 C ATOM 908 OG SER A 60 -0.707 -15.546 -11.479 1.00 55.35 O ATOM 0 H SER A 60 -2.924 -12.783 -10.250 1.00 4.54 H new ATOM 0 HA SER A 60 -2.732 -14.557 -12.463 1.00 42.25 H new ATOM 0 HB2 SER A 60 -1.158 -13.909 -10.316 1.00 32.23 H new ATOM 0 HB3 SER A 60 -1.826 -15.430 -9.756 1.00 32.23 H new ATOM 0 HG SER A 60 0.119 -15.724 -10.983 1.00 55.35 H new ATOM 914 N ASP A 61 -4.804 -15.322 -10.079 1.00 45.23 N ATOM 915 CA ASP A 61 -5.846 -16.256 -9.668 1.00 12.13 C ATOM 916 C ASP A 61 -6.915 -16.386 -10.749 1.00 43.21 C ATOM 917 O ASP A 61 -6.745 -15.902 -11.868 1.00 43.23 O ATOM 918 CB ASP A 61 -6.483 -15.798 -8.355 1.00 21.22 C ATOM 919 CG ASP A 61 -6.698 -16.943 -7.385 1.00 31.15 C ATOM 920 OD1 ASP A 61 -5.709 -17.390 -6.767 1.00 52.34 O ATOM 921 OD2 ASP A 61 -7.854 -17.389 -7.243 1.00 73.24 O ATOM 0 H ASP A 61 -4.789 -14.449 -9.552 1.00 45.23 H new ATOM 0 HA ASP A 61 -5.386 -17.233 -9.517 1.00 12.13 H new ATOM 0 HB2 ASP A 61 -5.847 -15.046 -7.889 1.00 21.22 H new ATOM 0 HB3 ASP A 61 -7.440 -15.320 -8.566 1.00 21.22 H new ATOM 926 N LYS A 62 -8.018 -17.044 -10.405 1.00 15.41 N ATOM 927 CA LYS A 62 -9.116 -17.239 -11.345 1.00 5.43 C ATOM 928 C LYS A 62 -10.447 -16.842 -10.715 1.00 41.25 C ATOM 929 O LYS A 62 -11.205 -16.058 -11.286 1.00 63.22 O ATOM 930 CB LYS A 62 -9.170 -18.699 -11.801 1.00 60.41 C ATOM 931 CG LYS A 62 -7.810 -19.278 -12.150 1.00 62.34 C ATOM 932 CD LYS A 62 -7.192 -20.001 -10.965 1.00 62.23 C ATOM 933 CE LYS A 62 -7.958 -21.270 -10.625 1.00 50.34 C ATOM 934 NZ LYS A 62 -7.044 -22.391 -10.268 1.00 10.22 N ATOM 0 H LYS A 62 -8.175 -17.451 -9.483 1.00 15.41 H new ATOM 0 HA LYS A 62 -8.939 -16.601 -12.211 1.00 5.43 H new ATOM 0 HB2 LYS A 62 -9.620 -19.301 -11.012 1.00 60.41 H new ATOM 0 HB3 LYS A 62 -9.822 -18.775 -12.671 1.00 60.41 H new ATOM 0 HG2 LYS A 62 -7.911 -19.969 -12.987 1.00 62.34 H new ATOM 0 HG3 LYS A 62 -7.146 -18.478 -12.476 1.00 62.34 H new ATOM 0 HD2 LYS A 62 -6.155 -20.250 -11.190 1.00 62.23 H new ATOM 0 HD3 LYS A 62 -7.180 -19.339 -10.099 1.00 62.23 H new ATOM 0 HE2 LYS A 62 -8.634 -21.074 -9.793 1.00 50.34 H new ATOM 0 HE3 LYS A 62 -8.575 -21.561 -11.475 1.00 50.34 H new ATOM 0 HZ1 LYS A 62 -7.604 -23.238 -10.043 1.00 10.22 H new ATOM 0 HZ2 LYS A 62 -6.415 -22.595 -11.071 1.00 10.22 H new ATOM 0 HZ3 LYS A 62 -6.473 -22.124 -9.441 1.00 10.22 H new ATOM 948 N ARG A 63 -10.724 -17.387 -9.535 1.00 20.42 N ATOM 949 CA ARG A 63 -11.964 -17.089 -8.828 1.00 60.41 C ATOM 950 C ARG A 63 -11.954 -15.661 -8.291 1.00 22.02 C ATOM 951 O ARG A 63 -13.006 -15.078 -8.029 1.00 42.41 O ATOM 952 CB ARG A 63 -12.170 -18.077 -7.677 1.00 12.05 C ATOM 953 CG ARG A 63 -13.198 -19.155 -7.977 1.00 21.41 C ATOM 954 CD ARG A 63 -12.577 -20.323 -8.727 1.00 50.33 C ATOM 955 NE ARG A 63 -13.135 -20.471 -10.069 1.00 13.54 N ATOM 956 CZ ARG A 63 -14.335 -20.984 -10.314 1.00 41.34 C ATOM 957 NH1 ARG A 63 -15.100 -21.397 -9.313 1.00 2.42 N ATOM 958 NH2 ARG A 63 -14.772 -21.085 -11.562 1.00 75.13 N ATOM 0 H ARG A 63 -10.107 -18.037 -9.048 1.00 20.42 H new ATOM 0 HA ARG A 63 -12.788 -17.187 -9.534 1.00 60.41 H new ATOM 0 HB2 ARG A 63 -11.217 -18.551 -7.441 1.00 12.05 H new ATOM 0 HB3 ARG A 63 -12.481 -17.527 -6.789 1.00 12.05 H new ATOM 0 HG2 ARG A 63 -13.636 -19.511 -7.045 1.00 21.41 H new ATOM 0 HG3 ARG A 63 -14.009 -18.731 -8.569 1.00 21.41 H new ATOM 0 HD2 ARG A 63 -11.499 -20.177 -8.797 1.00 50.33 H new ATOM 0 HD3 ARG A 63 -12.738 -21.242 -8.164 1.00 50.33 H new ATOM 0 HE ARG A 63 -12.572 -20.163 -10.862 1.00 13.54 H new ATOM 0 HH11 ARG A 63 -14.767 -21.321 -8.352 1.00 2.42 H new ATOM 0 HH12 ARG A 63 -16.021 -21.791 -9.504 1.00 2.42 H new ATOM 0 HH21 ARG A 63 -14.186 -20.769 -12.335 1.00 75.13 H new ATOM 0 HH22 ARG A 63 -15.694 -21.479 -11.749 1.00 75.13 H new ATOM 972 N PHE A 64 -10.758 -15.103 -8.130 1.00 21.43 N ATOM 973 CA PHE A 64 -10.611 -13.744 -7.624 1.00 23.03 C ATOM 974 C PHE A 64 -9.930 -12.849 -8.655 1.00 52.13 C ATOM 975 O PHE A 64 -9.344 -11.823 -8.312 1.00 13.31 O ATOM 976 CB PHE A 64 -9.806 -13.746 -6.322 1.00 54.02 C ATOM 977 CG PHE A 64 -10.604 -14.173 -5.123 1.00 33.40 C ATOM 978 CD1 PHE A 64 -11.184 -15.430 -5.073 1.00 64.24 C ATOM 979 CD2 PHE A 64 -10.775 -13.317 -4.048 1.00 23.14 C ATOM 980 CE1 PHE A 64 -11.920 -15.826 -3.971 1.00 51.12 C ATOM 981 CE2 PHE A 64 -11.509 -13.707 -2.944 1.00 45.31 C ATOM 982 CZ PHE A 64 -12.083 -14.962 -2.906 1.00 73.12 C ATOM 0 H PHE A 64 -9.877 -15.571 -8.343 1.00 21.43 H new ATOM 0 HA PHE A 64 -11.607 -13.347 -7.427 1.00 23.03 H new ATOM 0 HB2 PHE A 64 -8.950 -14.412 -6.435 1.00 54.02 H new ATOM 0 HB3 PHE A 64 -9.411 -12.745 -6.147 1.00 54.02 H new ATOM 0 HD1 PHE A 64 -11.060 -16.109 -5.904 1.00 64.24 H new ATOM 0 HD2 PHE A 64 -10.330 -12.333 -4.073 1.00 23.14 H new ATOM 0 HE1 PHE A 64 -12.366 -16.809 -3.943 1.00 51.12 H new ATOM 0 HE2 PHE A 64 -11.634 -13.030 -2.111 1.00 45.31 H new ATOM 0 HZ PHE A 64 -12.659 -15.268 -2.045 1.00 73.12 H new ATOM 992 N ALA A 65 -10.012 -13.248 -9.920 1.00 0.53 N ATOM 993 CA ALA A 65 -9.404 -12.483 -11.003 1.00 24.12 C ATOM 994 C ALA A 65 -10.468 -11.827 -11.875 1.00 25.22 C ATOM 995 O ALA A 65 -10.653 -12.202 -13.034 1.00 65.11 O ATOM 996 CB ALA A 65 -8.508 -13.378 -11.844 1.00 43.24 C ATOM 0 H ALA A 65 -10.493 -14.096 -10.220 1.00 0.53 H new ATOM 0 HA ALA A 65 -8.796 -11.694 -10.560 1.00 24.12 H new ATOM 0 HB1 ALA A 65 -8.061 -12.793 -12.648 1.00 43.24 H new ATOM 0 HB2 ALA A 65 -7.720 -13.795 -11.218 1.00 43.24 H new ATOM 0 HB3 ALA A 65 -9.100 -14.188 -12.270 1.00 43.24 H new ATOM 1002 N ASP A 66 -11.167 -10.847 -11.312 1.00 23.54 N ATOM 1003 CA ASP A 66 -12.214 -10.137 -12.040 1.00 51.44 C ATOM 1004 C ASP A 66 -12.818 -9.031 -11.182 1.00 23.41 C ATOM 1005 O ASP A 66 -12.987 -9.191 -9.973 1.00 23.53 O ATOM 1006 CB ASP A 66 -13.306 -11.112 -12.482 1.00 63.23 C ATOM 1007 CG ASP A 66 -13.195 -11.482 -13.948 1.00 2.34 C ATOM 1008 OD1 ASP A 66 -13.031 -10.565 -14.781 1.00 2.21 O ATOM 1009 OD2 ASP A 66 -13.271 -12.688 -14.263 1.00 23.22 O ATOM 0 H ASP A 66 -11.028 -10.526 -10.354 1.00 23.54 H new ATOM 0 HA ASP A 66 -11.765 -9.682 -12.923 1.00 51.44 H new ATOM 0 HB2 ASP A 66 -13.248 -12.017 -11.877 1.00 63.23 H new ATOM 0 HB3 ASP A 66 -14.283 -10.667 -12.296 1.00 63.23 H new ATOM 1014 N CYS A 67 -13.141 -7.907 -11.815 1.00 51.34 N ATOM 1015 CA CYS A 67 -13.725 -6.773 -11.110 1.00 51.23 C ATOM 1016 C CYS A 67 -15.085 -7.139 -10.525 1.00 24.41 C ATOM 1017 O CYS A 67 -15.537 -6.532 -9.553 1.00 61.34 O ATOM 1018 CB CYS A 67 -13.867 -5.578 -12.055 1.00 61.15 C ATOM 1019 SG CYS A 67 -12.505 -4.374 -11.941 1.00 35.53 S ATOM 0 H CYS A 67 -13.008 -7.758 -12.815 1.00 51.34 H new ATOM 0 HA CYS A 67 -13.059 -6.502 -10.291 1.00 51.23 H new ATOM 0 HB2 CYS A 67 -13.929 -5.944 -13.080 1.00 61.15 H new ATOM 0 HB3 CYS A 67 -14.807 -5.069 -11.841 1.00 61.15 H new ATOM 0 HG CYS A 67 -12.832 -3.288 -12.576 1.00 35.53 H new ATOM 1024 N SER A 68 -15.733 -8.133 -11.123 1.00 24.22 N ATOM 1025 CA SER A 68 -17.043 -8.577 -10.664 1.00 25.41 C ATOM 1026 C SER A 68 -16.962 -9.137 -9.247 1.00 22.21 C ATOM 1027 O SER A 68 -17.910 -9.031 -8.470 1.00 43.25 O ATOM 1028 CB SER A 68 -17.608 -9.638 -11.612 1.00 34.04 C ATOM 1029 OG SER A 68 -18.576 -10.441 -10.961 1.00 0.00 O ATOM 0 H SER A 68 -15.372 -8.646 -11.927 1.00 24.22 H new ATOM 0 HA SER A 68 -17.709 -7.714 -10.658 1.00 25.41 H new ATOM 0 HB2 SER A 68 -18.057 -9.153 -12.479 1.00 34.04 H new ATOM 0 HB3 SER A 68 -16.799 -10.267 -11.982 1.00 34.04 H new ATOM 0 HG SER A 68 -18.922 -11.109 -11.589 1.00 0.00 H new ATOM 1035 N LYS A 69 -15.821 -9.734 -8.919 1.00 64.33 N ATOM 1036 CA LYS A 69 -15.612 -10.311 -7.596 1.00 61.10 C ATOM 1037 C LYS A 69 -15.450 -9.217 -6.545 1.00 1.32 C ATOM 1038 O LYS A 69 -15.157 -8.067 -6.872 1.00 50.03 O ATOM 1039 CB LYS A 69 -14.378 -11.216 -7.601 1.00 4.35 C ATOM 1040 CG LYS A 69 -14.310 -12.145 -8.800 1.00 61.12 C ATOM 1041 CD LYS A 69 -15.530 -13.047 -8.877 1.00 41.04 C ATOM 1042 CE LYS A 69 -16.537 -12.538 -9.895 1.00 31.33 C ATOM 1043 NZ LYS A 69 -17.272 -13.652 -10.556 1.00 50.20 N ATOM 0 H LYS A 69 -15.027 -9.831 -9.551 1.00 64.33 H new ATOM 0 HA LYS A 69 -16.490 -10.906 -7.343 1.00 61.10 H new ATOM 0 HB2 LYS A 69 -13.482 -10.595 -7.582 1.00 4.35 H new ATOM 0 HB3 LYS A 69 -14.372 -11.813 -6.689 1.00 4.35 H new ATOM 0 HG2 LYS A 69 -14.234 -11.556 -9.714 1.00 61.12 H new ATOM 0 HG3 LYS A 69 -13.409 -12.755 -8.738 1.00 61.12 H new ATOM 0 HD2 LYS A 69 -15.220 -14.057 -9.144 1.00 41.04 H new ATOM 0 HD3 LYS A 69 -16.002 -13.107 -7.896 1.00 41.04 H new ATOM 0 HE2 LYS A 69 -17.249 -11.876 -9.402 1.00 31.33 H new ATOM 0 HE3 LYS A 69 -16.021 -11.945 -10.650 1.00 31.33 H new ATOM 0 HZ1 LYS A 69 -17.949 -13.262 -11.243 1.00 50.20 H new ATOM 0 HZ2 LYS A 69 -16.596 -14.270 -11.049 1.00 50.20 H new ATOM 0 HZ3 LYS A 69 -17.785 -14.203 -9.839 1.00 50.20 H new ATOM 1057 N SER A 70 -15.641 -9.583 -5.282 1.00 73.13 N ATOM 1058 CA SER A 70 -15.518 -8.633 -4.183 1.00 34.13 C ATOM 1059 C SER A 70 -14.101 -8.637 -3.617 1.00 1.23 C ATOM 1060 O SER A 70 -13.281 -9.481 -3.977 1.00 61.23 O ATOM 1061 CB SER A 70 -16.522 -8.965 -3.078 1.00 42.23 C ATOM 1062 OG SER A 70 -16.864 -10.341 -3.096 1.00 33.15 O ATOM 0 H SER A 70 -15.882 -10.531 -4.994 1.00 73.13 H new ATOM 0 HA SER A 70 -15.733 -7.637 -4.571 1.00 34.13 H new ATOM 0 HB2 SER A 70 -16.099 -8.705 -2.108 1.00 42.23 H new ATOM 0 HB3 SER A 70 -17.421 -8.362 -3.206 1.00 42.23 H new ATOM 0 HG SER A 70 -17.506 -10.528 -2.379 1.00 33.15 H new ATOM 1068 N GLN A 71 -13.822 -7.688 -2.730 1.00 24.24 N ATOM 1069 CA GLN A 71 -12.505 -7.581 -2.114 1.00 74.32 C ATOM 1070 C GLN A 71 -12.110 -8.892 -1.442 1.00 43.11 C ATOM 1071 O GLN A 71 -12.958 -9.743 -1.177 1.00 71.21 O ATOM 1072 CB GLN A 71 -12.487 -6.444 -1.091 1.00 13.00 C ATOM 1073 CG GLN A 71 -11.089 -6.055 -0.638 1.00 41.41 C ATOM 1074 CD GLN A 71 -11.064 -4.740 0.115 1.00 64.03 C ATOM 1075 OE1 GLN A 71 -12.110 -4.174 0.434 1.00 31.43 O ATOM 1076 NE2 GLN A 71 -9.866 -4.246 0.405 1.00 71.30 N ATOM 0 H GLN A 71 -14.490 -6.982 -2.422 1.00 24.24 H new ATOM 0 HA GLN A 71 -11.781 -7.364 -2.900 1.00 74.32 H new ATOM 0 HB2 GLN A 71 -12.976 -5.571 -1.522 1.00 13.00 H new ATOM 0 HB3 GLN A 71 -13.073 -6.740 -0.221 1.00 13.00 H new ATOM 0 HG2 GLN A 71 -10.686 -6.842 -0.001 1.00 41.41 H new ATOM 0 HG3 GLN A 71 -10.436 -5.984 -1.508 1.00 41.41 H new ATOM 0 HE21 GLN A 71 -9.025 -4.748 0.121 1.00 71.30 H new ATOM 0 HE22 GLN A 71 -9.787 -3.364 0.911 1.00 71.30 H new ATOM 1085 N GLU A 72 -10.819 -9.045 -1.169 1.00 42.34 N ATOM 1086 CA GLU A 72 -10.312 -10.254 -0.528 1.00 63.43 C ATOM 1087 C GLU A 72 -10.260 -10.085 0.987 1.00 42.22 C ATOM 1088 O GLU A 72 -10.599 -11.001 1.737 1.00 14.14 O ATOM 1089 CB GLU A 72 -8.921 -10.597 -1.063 1.00 75.55 C ATOM 1090 CG GLU A 72 -8.813 -10.514 -2.577 1.00 2.43 C ATOM 1091 CD GLU A 72 -8.044 -11.678 -3.171 1.00 61.21 C ATOM 1092 OE1 GLU A 72 -8.191 -12.808 -2.662 1.00 65.05 O ATOM 1093 OE2 GLU A 72 -7.295 -11.458 -4.146 1.00 15.44 O ATOM 0 H GLU A 72 -10.105 -8.348 -1.381 1.00 42.34 H new ATOM 0 HA GLU A 72 -10.994 -11.072 -0.762 1.00 63.43 H new ATOM 0 HB2 GLU A 72 -8.192 -9.919 -0.618 1.00 75.55 H new ATOM 0 HB3 GLU A 72 -8.656 -11.605 -0.743 1.00 75.55 H new ATOM 0 HG2 GLU A 72 -9.814 -10.487 -3.008 1.00 2.43 H new ATOM 0 HG3 GLU A 72 -8.322 -9.581 -2.852 1.00 2.43 H new ATOM 1100 N MET A 73 -9.831 -8.907 1.431 1.00 62.42 N ATOM 1101 CA MET A 73 -9.735 -8.617 2.857 1.00 32.12 C ATOM 1102 C MET A 73 -10.320 -7.245 3.174 1.00 62.31 C ATOM 1103 O MET A 73 -10.568 -6.443 2.273 1.00 24.21 O ATOM 1104 CB MET A 73 -8.276 -8.679 3.313 1.00 71.02 C ATOM 1105 CG MET A 73 -7.825 -10.074 3.718 1.00 1.41 C ATOM 1106 SD MET A 73 -6.627 -10.052 5.065 1.00 24.14 S ATOM 1107 CE MET A 73 -5.556 -8.714 4.544 1.00 5.12 C ATOM 0 H MET A 73 -9.545 -8.139 0.824 1.00 62.42 H new ATOM 0 HA MET A 73 -10.310 -9.370 3.395 1.00 32.12 H new ATOM 0 HB2 MET A 73 -7.636 -8.319 2.507 1.00 71.02 H new ATOM 0 HB3 MET A 73 -8.138 -8.002 4.156 1.00 71.02 H new ATOM 0 HG2 MET A 73 -8.694 -10.660 4.019 1.00 1.41 H new ATOM 0 HG3 MET A 73 -7.386 -10.575 2.855 1.00 1.41 H new ATOM 0 HE1 MET A 73 -4.578 -8.828 5.011 1.00 5.12 H new ATOM 0 HE2 MET A 73 -5.446 -8.737 3.460 1.00 5.12 H new ATOM 0 HE3 MET A 73 -5.992 -7.761 4.844 1.00 5.12 H new ATOM 1117 N SER A 74 -10.541 -6.982 4.458 1.00 51.53 N ATOM 1118 CA SER A 74 -11.101 -5.708 4.893 1.00 72.50 C ATOM 1119 C SER A 74 -10.016 -4.639 4.982 1.00 40.43 C ATOM 1120 O SER A 74 -8.833 -4.951 5.119 1.00 21.52 O ATOM 1121 CB SER A 74 -11.790 -5.867 6.249 1.00 20.24 C ATOM 1122 OG SER A 74 -11.202 -6.914 7.001 1.00 41.51 O ATOM 0 H SER A 74 -10.341 -7.635 5.216 1.00 51.53 H new ATOM 0 HA SER A 74 -11.837 -5.391 4.154 1.00 72.50 H new ATOM 0 HB2 SER A 74 -11.722 -4.933 6.806 1.00 20.24 H new ATOM 0 HB3 SER A 74 -12.850 -6.073 6.100 1.00 20.24 H new ATOM 0 HG SER A 74 -11.660 -6.994 7.864 1.00 41.51 H new ATOM 1128 N ASN A 75 -10.428 -3.379 4.905 1.00 2.03 N ATOM 1129 CA ASN A 75 -9.493 -2.263 4.977 1.00 0.53 C ATOM 1130 C ASN A 75 -8.628 -2.358 6.231 1.00 15.43 C ATOM 1131 O ASN A 75 -7.411 -2.188 6.170 1.00 12.44 O ATOM 1132 CB ASN A 75 -10.249 -0.933 4.966 1.00 65.42 C ATOM 1133 CG ASN A 75 -10.800 -0.593 3.594 1.00 2.54 C ATOM 1134 OD1 ASN A 75 -11.985 -0.299 3.444 1.00 21.31 O ATOM 1135 ND2 ASN A 75 -9.937 -0.631 2.585 1.00 4.35 N ATOM 0 H ASN A 75 -11.404 -3.105 4.793 1.00 2.03 H new ATOM 0 HA ASN A 75 -8.843 -2.310 4.103 1.00 0.53 H new ATOM 0 HB2 ASN A 75 -11.069 -0.978 5.683 1.00 65.42 H new ATOM 0 HB3 ASN A 75 -9.582 -0.136 5.294 1.00 65.42 H new ATOM 0 HD21 ASN A 75 -10.248 -0.411 1.639 1.00 4.35 H new ATOM 0 HD22 ASN A 75 -8.963 -0.880 2.756 1.00 4.35 H new ATOM 1142 N GLU A 76 -9.267 -2.631 7.364 1.00 74.01 N ATOM 1143 CA GLU A 76 -8.555 -2.749 8.632 1.00 33.41 C ATOM 1144 C GLU A 76 -7.418 -3.761 8.526 1.00 72.20 C ATOM 1145 O GLU A 76 -6.291 -3.490 8.939 1.00 24.35 O ATOM 1146 CB GLU A 76 -9.519 -3.161 9.746 1.00 42.01 C ATOM 1147 CG GLU A 76 -10.343 -4.394 9.413 1.00 30.51 C ATOM 1148 CD GLU A 76 -11.446 -4.648 10.421 1.00 50.04 C ATOM 1149 OE1 GLU A 76 -11.175 -5.313 11.443 1.00 11.14 O ATOM 1150 OE2 GLU A 76 -12.581 -4.182 10.188 1.00 24.01 O ATOM 0 H GLU A 76 -10.275 -2.774 7.430 1.00 74.01 H new ATOM 0 HA GLU A 76 -8.128 -1.775 8.872 1.00 33.41 H new ATOM 0 HB2 GLU A 76 -8.950 -3.350 10.656 1.00 42.01 H new ATOM 0 HB3 GLU A 76 -10.193 -2.331 9.958 1.00 42.01 H new ATOM 0 HG2 GLU A 76 -10.782 -4.277 8.422 1.00 30.51 H new ATOM 0 HG3 GLU A 76 -9.687 -5.264 9.370 1.00 30.51 H new ATOM 1157 N GLU A 77 -7.724 -4.930 7.969 1.00 23.14 N ATOM 1158 CA GLU A 77 -6.729 -5.983 7.810 1.00 2.22 C ATOM 1159 C GLU A 77 -5.546 -5.494 6.979 1.00 21.42 C ATOM 1160 O GLU A 77 -4.397 -5.568 7.411 1.00 52.55 O ATOM 1161 CB GLU A 77 -7.356 -7.213 7.152 1.00 33.20 C ATOM 1162 CG GLU A 77 -8.407 -7.895 8.011 1.00 23.44 C ATOM 1163 CD GLU A 77 -8.928 -9.176 7.390 1.00 22.42 C ATOM 1164 OE1 GLU A 77 -9.834 -9.094 6.533 1.00 50.31 O ATOM 1165 OE2 GLU A 77 -8.430 -10.259 7.760 1.00 71.40 O ATOM 0 H GLU A 77 -8.652 -5.170 7.621 1.00 23.14 H new ATOM 0 HA GLU A 77 -6.366 -6.256 8.801 1.00 2.22 H new ATOM 0 HB2 GLU A 77 -7.809 -6.917 6.206 1.00 33.20 H new ATOM 0 HB3 GLU A 77 -6.569 -7.930 6.918 1.00 33.20 H new ATOM 0 HG2 GLU A 77 -7.982 -8.117 8.990 1.00 23.44 H new ATOM 0 HG3 GLU A 77 -9.239 -7.210 8.173 1.00 23.44 H new ATOM 1172 N ILE A 78 -5.839 -4.993 5.783 1.00 73.04 N ATOM 1173 CA ILE A 78 -4.802 -4.492 4.891 1.00 35.23 C ATOM 1174 C ILE A 78 -4.012 -3.364 5.546 1.00 15.54 C ATOM 1175 O ILE A 78 -2.804 -3.239 5.343 1.00 63.05 O ATOM 1176 CB ILE A 78 -5.397 -3.984 3.564 1.00 24.32 C ATOM 1177 CG1 ILE A 78 -6.199 -5.093 2.882 1.00 73.11 C ATOM 1178 CG2 ILE A 78 -4.293 -3.479 2.647 1.00 35.11 C ATOM 1179 CD1 ILE A 78 -7.265 -4.578 1.940 1.00 11.15 C ATOM 0 H ILE A 78 -6.786 -4.924 5.410 1.00 73.04 H new ATOM 0 HA ILE A 78 -4.134 -5.328 4.683 1.00 35.23 H new ATOM 0 HB ILE A 78 -6.071 -3.155 3.779 1.00 24.32 H new ATOM 0 HG12 ILE A 78 -5.515 -5.736 2.327 1.00 73.11 H new ATOM 0 HG13 ILE A 78 -6.669 -5.712 3.646 1.00 73.11 H new ATOM 0 HG21 ILE A 78 -4.729 -3.124 1.714 1.00 35.11 H new ATOM 0 HG22 ILE A 78 -3.761 -2.661 3.134 1.00 35.11 H new ATOM 0 HG23 ILE A 78 -3.596 -4.290 2.436 1.00 35.11 H new ATOM 0 HD11 ILE A 78 -7.793 -5.420 1.493 1.00 11.15 H new ATOM 0 HD12 ILE A 78 -7.971 -3.959 2.493 1.00 11.15 H new ATOM 0 HD13 ILE A 78 -6.800 -3.983 1.154 1.00 11.15 H new ATOM 1191 N ASN A 79 -4.702 -2.545 6.332 1.00 4.43 N ATOM 1192 CA ASN A 79 -4.065 -1.427 7.019 1.00 14.04 C ATOM 1193 C ASN A 79 -3.027 -1.924 8.020 1.00 4.14 C ATOM 1194 O ASN A 79 -1.909 -1.412 8.076 1.00 74.22 O ATOM 1195 CB ASN A 79 -5.115 -0.576 7.736 1.00 34.13 C ATOM 1196 CG ASN A 79 -4.788 -0.367 9.201 1.00 2.14 C ATOM 1197 OD1 ASN A 79 -3.822 0.316 9.542 1.00 3.02 O ATOM 1198 ND2 ASN A 79 -5.593 -0.957 10.077 1.00 51.02 N ATOM 0 H ASN A 79 -5.702 -2.634 6.509 1.00 4.43 H new ATOM 0 HA ASN A 79 -3.560 -0.815 6.272 1.00 14.04 H new ATOM 0 HB2 ASN A 79 -5.192 0.393 7.242 1.00 34.13 H new ATOM 0 HB3 ASN A 79 -6.089 -1.057 7.649 1.00 34.13 H new ATOM 0 HD21 ASN A 79 -5.422 -0.853 11.077 1.00 51.02 H new ATOM 0 HD22 ASN A 79 -6.382 -1.514 9.750 1.00 51.02 H new ATOM 1205 N GLU A 80 -3.405 -2.924 8.810 1.00 71.42 N ATOM 1206 CA GLU A 80 -2.507 -3.489 9.809 1.00 42.14 C ATOM 1207 C GLU A 80 -1.408 -4.317 9.147 1.00 12.23 C ATOM 1208 O GLU A 80 -0.316 -4.466 9.694 1.00 20.10 O ATOM 1209 CB GLU A 80 -3.288 -4.358 10.797 1.00 31.41 C ATOM 1210 CG GLU A 80 -3.324 -5.830 10.418 1.00 1.12 C ATOM 1211 CD GLU A 80 -2.138 -6.601 10.963 1.00 61.23 C ATOM 1212 OE1 GLU A 80 -1.916 -6.558 12.192 1.00 74.11 O ATOM 1213 OE2 GLU A 80 -1.433 -7.248 10.162 1.00 55.02 O ATOM 0 H GLU A 80 -4.327 -3.359 8.777 1.00 71.42 H new ATOM 0 HA GLU A 80 -2.042 -2.664 10.349 1.00 42.14 H new ATOM 0 HB2 GLU A 80 -2.843 -4.257 11.787 1.00 31.41 H new ATOM 0 HB3 GLU A 80 -4.310 -3.985 10.867 1.00 31.41 H new ATOM 0 HG2 GLU A 80 -4.246 -6.275 10.793 1.00 1.12 H new ATOM 0 HG3 GLU A 80 -3.344 -5.921 9.332 1.00 1.12 H new ATOM 1220 N GLU A 81 -1.707 -4.850 7.967 1.00 73.14 N ATOM 1221 CA GLU A 81 -0.745 -5.663 7.232 1.00 52.22 C ATOM 1222 C GLU A 81 0.410 -4.808 6.720 1.00 33.32 C ATOM 1223 O GLU A 81 1.579 -5.114 6.961 1.00 72.23 O ATOM 1224 CB GLU A 81 -1.431 -6.369 6.060 1.00 20.11 C ATOM 1225 CG GLU A 81 -0.503 -7.274 5.268 1.00 55.14 C ATOM 1226 CD GLU A 81 0.302 -8.206 6.155 1.00 22.52 C ATOM 1227 OE1 GLU A 81 -0.314 -8.958 6.939 1.00 21.33 O ATOM 1228 OE2 GLU A 81 1.546 -8.181 6.065 1.00 55.31 O ATOM 0 H GLU A 81 -2.606 -4.734 7.500 1.00 73.14 H new ATOM 0 HA GLU A 81 -0.344 -6.413 7.914 1.00 52.22 H new ATOM 0 HB2 GLU A 81 -2.264 -6.960 6.440 1.00 20.11 H new ATOM 0 HB3 GLU A 81 -1.852 -5.619 5.391 1.00 20.11 H new ATOM 0 HG2 GLU A 81 -1.091 -7.865 4.565 1.00 55.14 H new ATOM 0 HG3 GLU A 81 0.179 -6.662 4.678 1.00 55.14 H new ATOM 1235 N LEU A 82 0.076 -3.736 6.010 1.00 62.02 N ATOM 1236 CA LEU A 82 1.084 -2.835 5.463 1.00 31.00 C ATOM 1237 C LEU A 82 1.611 -1.889 6.537 1.00 23.21 C ATOM 1238 O LEU A 82 2.761 -1.454 6.487 1.00 62.53 O ATOM 1239 CB LEU A 82 0.501 -2.030 4.300 1.00 51.14 C ATOM 1240 CG LEU A 82 -0.158 -2.844 3.185 1.00 44.30 C ATOM 1241 CD1 LEU A 82 -1.425 -2.156 2.701 1.00 70.53 C ATOM 1242 CD2 LEU A 82 0.812 -3.051 2.032 1.00 11.41 C ATOM 0 H LEU A 82 -0.886 -3.470 5.800 1.00 62.02 H new ATOM 0 HA LEU A 82 1.915 -3.439 5.098 1.00 31.00 H new ATOM 0 HB2 LEU A 82 -0.237 -1.334 4.700 1.00 51.14 H new ATOM 0 HB3 LEU A 82 1.300 -1.431 3.862 1.00 51.14 H new ATOM 0 HG LEU A 82 -0.429 -3.821 3.585 1.00 44.30 H new ATOM 0 HD11 LEU A 82 -1.881 -2.749 1.908 1.00 70.53 H new ATOM 0 HD12 LEU A 82 -2.126 -2.059 3.530 1.00 70.53 H new ATOM 0 HD13 LEU A 82 -1.178 -1.166 2.318 1.00 70.53 H new ATOM 0 HD21 LEU A 82 0.326 -3.632 1.248 1.00 11.41 H new ATOM 0 HD22 LEU A 82 1.114 -2.083 1.632 1.00 11.41 H new ATOM 0 HD23 LEU A 82 1.692 -3.587 2.388 1.00 11.41 H new ATOM 1254 N GLY A 83 0.761 -1.577 7.512 1.00 35.43 N ATOM 1255 CA GLY A 83 1.160 -0.686 8.586 1.00 33.45 C ATOM 1256 C GLY A 83 0.903 0.772 8.255 1.00 51.14 C ATOM 1257 O GLY A 83 1.637 1.654 8.702 1.00 44.25 O ATOM 0 H GLY A 83 -0.196 -1.925 7.577 1.00 35.43 H new ATOM 0 HA2 GLY A 83 0.618 -0.950 9.494 1.00 33.45 H new ATOM 0 HA3 GLY A 83 2.220 -0.826 8.796 1.00 33.45 H new ATOM 1261 N ILE A 84 -0.139 1.024 7.470 1.00 13.22 N ATOM 1262 CA ILE A 84 -0.488 2.385 7.080 1.00 43.34 C ATOM 1263 C ILE A 84 -1.717 2.874 7.839 1.00 5.43 C ATOM 1264 O ILE A 84 -2.228 2.188 8.722 1.00 63.21 O ATOM 1265 CB ILE A 84 -0.759 2.485 5.568 1.00 34.33 C ATOM 1266 CG1 ILE A 84 -1.949 1.605 5.181 1.00 62.24 C ATOM 1267 CG2 ILE A 84 0.480 2.086 4.781 1.00 34.51 C ATOM 1268 CD1 ILE A 84 -2.289 1.662 3.708 1.00 62.43 C ATOM 0 H ILE A 84 -0.756 0.305 7.092 1.00 13.22 H new ATOM 0 HA ILE A 84 0.366 3.015 7.330 1.00 43.34 H new ATOM 0 HB ILE A 84 -1.003 3.519 5.325 1.00 34.33 H new ATOM 0 HG12 ILE A 84 -1.732 0.573 5.456 1.00 62.24 H new ATOM 0 HG13 ILE A 84 -2.821 1.912 5.759 1.00 62.24 H new ATOM 0 HG21 ILE A 84 0.273 2.162 3.714 1.00 34.51 H new ATOM 0 HG22 ILE A 84 1.304 2.751 5.039 1.00 34.51 H new ATOM 0 HG23 ILE A 84 0.752 1.059 5.026 1.00 34.51 H new ATOM 0 HD11 ILE A 84 -3.142 1.014 3.506 1.00 62.43 H new ATOM 0 HD12 ILE A 84 -2.538 2.687 3.431 1.00 62.43 H new ATOM 0 HD13 ILE A 84 -1.432 1.327 3.124 1.00 62.43 H new ATOM 1280 N GLY A 85 -2.186 4.067 7.486 1.00 4.15 N ATOM 1281 CA GLY A 85 -3.352 4.629 8.142 1.00 64.42 C ATOM 1282 C GLY A 85 -4.523 4.805 7.194 1.00 44.21 C ATOM 1283 O GLY A 85 -5.001 5.920 6.991 1.00 70.25 O ATOM 0 H GLY A 85 -1.779 4.654 6.758 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -3.650 3.980 8.966 1.00 64.42 H new ATOM 0 HA3 GLY A 85 -3.091 5.595 8.575 1.00 64.42 H new ATOM 1287 N GLN A 86 -4.982 3.701 6.614 1.00 72.14 N ATOM 1288 CA GLN A 86 -6.102 3.739 5.680 1.00 42.13 C ATOM 1289 C GLN A 86 -7.292 4.474 6.288 1.00 23.24 C ATOM 1290 O GLN A 86 -7.389 4.619 7.507 1.00 71.42 O ATOM 1291 CB GLN A 86 -6.512 2.320 5.285 1.00 31.20 C ATOM 1292 CG GLN A 86 -6.251 1.996 3.823 1.00 62.41 C ATOM 1293 CD GLN A 86 -6.305 0.508 3.536 1.00 2.12 C ATOM 1294 OE1 GLN A 86 -7.325 -0.143 3.762 1.00 72.43 O ATOM 1295 NE2 GLN A 86 -5.203 -0.038 3.035 1.00 31.13 N ATOM 0 H GLN A 86 -4.597 2.770 6.774 1.00 72.14 H new ATOM 0 HA GLN A 86 -5.781 4.278 4.789 1.00 42.13 H new ATOM 0 HB2 GLN A 86 -5.971 1.608 5.908 1.00 31.20 H new ATOM 0 HB3 GLN A 86 -7.573 2.186 5.494 1.00 31.20 H new ATOM 0 HG2 GLN A 86 -6.988 2.508 3.204 1.00 62.41 H new ATOM 0 HG3 GLN A 86 -5.272 2.382 3.539 1.00 62.41 H new ATOM 0 HE21 GLN A 86 -4.380 0.540 2.863 1.00 31.13 H new ATOM 0 HE22 GLN A 86 -5.179 -1.035 2.822 1.00 31.13 H new