USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 CYS SG : rot 180:sc= 0.0152 USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc=-0.00748 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 130:sc= -0.0457 USER MOD Single : A 31 LYS NZ :NH3+ -169:sc=-0.00581 (180deg=-0.128) USER MOD Single : A 33 SER OG : rot 47:sc= 0.0058 USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.000729 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 140:sc= -2.52 (180deg=-3.56!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -102:sc= 0.903 USER MOD Single : A 58 SER OG : rot 87:sc= 1.25 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -147:sc= -0.282 (180deg=-0.958!) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.345 X(o=0.34,f=0) USER MOD Single : A 90 MET CE :methyl 179:sc= -1.63 (180deg=-1.69) USER MOD Single : A 96 SER OG : rot -4:sc= 1.02 USER MOD Single : A 99 SER OG : rot 75:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 377 N ASN A 27 -1.259 -5.290 10.715 1.00 63.31 N ATOM 378 CA ASN A 27 -1.952 -6.383 10.033 1.00 53.15 C ATOM 379 C ASN A 27 -1.228 -6.783 8.752 1.00 70.24 C ATOM 380 O ASN A 27 -0.231 -6.174 8.365 1.00 41.24 O ATOM 381 CB ASN A 27 -3.412 -6.011 9.716 1.00 30.11 C ATOM 382 CG ASN A 27 -4.226 -5.699 10.957 1.00 13.24 C ATOM 383 OD1 ASN A 27 -4.811 -6.590 11.569 1.00 23.00 O ATOM 384 ND2 ASN A 27 -4.280 -4.428 11.327 1.00 12.31 N ATOM 0 HA ASN A 27 -1.952 -7.235 10.713 1.00 53.15 H new ATOM 0 HB2 ASN A 27 -3.425 -5.146 9.053 1.00 30.11 H new ATOM 0 HB3 ASN A 27 -3.882 -6.834 9.177 1.00 30.11 H new ATOM 0 HD21 ASN A 27 -4.822 -4.158 12.148 1.00 12.31 H new ATOM 0 HD22 ASN A 27 -3.779 -3.719 10.791 1.00 12.31 H new ATOM 391 N CYS A 28 -1.719 -7.832 8.119 1.00 54.13 N ATOM 392 CA CYS A 28 -1.192 -8.265 6.832 1.00 11.40 C ATOM 393 C CYS A 28 -2.191 -7.936 5.726 1.00 4.53 C ATOM 394 O CYS A 28 -1.914 -8.116 4.540 1.00 53.03 O ATOM 395 CB CYS A 28 -0.891 -9.769 6.847 1.00 11.55 C ATOM 396 SG CYS A 28 -2.318 -10.810 7.237 1.00 21.33 S ATOM 0 H CYS A 28 -2.485 -8.404 8.474 1.00 54.13 H new ATOM 0 HA CYS A 28 -0.260 -7.733 6.640 1.00 11.40 H new ATOM 0 HB2 CYS A 28 -0.500 -10.059 5.872 1.00 11.55 H new ATOM 0 HB3 CYS A 28 -0.104 -9.963 7.576 1.00 11.55 H new ATOM 0 HG CYS A 28 -1.960 -12.060 7.222 1.00 21.33 H new ATOM 402 N THR A 29 -3.359 -7.457 6.132 1.00 3.31 N ATOM 403 CA THR A 29 -4.396 -7.068 5.194 1.00 25.41 C ATOM 404 C THR A 29 -4.277 -5.583 4.864 1.00 42.01 C ATOM 405 O THR A 29 -4.414 -4.729 5.743 1.00 34.13 O ATOM 406 CB THR A 29 -5.796 -7.350 5.772 1.00 42.42 C ATOM 407 OG1 THR A 29 -5.838 -8.677 6.317 1.00 11.34 O ATOM 408 CG2 THR A 29 -6.872 -7.208 4.703 1.00 52.15 C ATOM 0 H THR A 29 -3.610 -7.329 7.112 1.00 3.31 H new ATOM 0 HA THR A 29 -4.265 -7.657 4.286 1.00 25.41 H new ATOM 0 HB THR A 29 -5.991 -6.620 6.557 1.00 42.42 H new ATOM 0 HG1 THR A 29 -6.729 -8.851 6.685 1.00 11.34 H new ATOM 0 HG21 THR A 29 -7.849 -7.413 5.141 1.00 52.15 H new ATOM 0 HG22 THR A 29 -6.858 -6.193 4.305 1.00 52.15 H new ATOM 0 HG23 THR A 29 -6.680 -7.916 3.897 1.00 52.15 H new ATOM 416 N SER A 30 -4.021 -5.277 3.604 1.00 71.40 N ATOM 417 CA SER A 30 -3.883 -3.898 3.174 1.00 25.14 C ATOM 418 C SER A 30 -5.191 -3.423 2.561 1.00 42.44 C ATOM 419 O SER A 30 -5.646 -3.955 1.549 1.00 3.40 O ATOM 420 CB SER A 30 -2.736 -3.760 2.166 1.00 44.44 C ATOM 421 OG SER A 30 -2.475 -2.400 1.867 1.00 32.05 O ATOM 0 H SER A 30 -3.905 -5.966 2.861 1.00 71.40 H new ATOM 0 HA SER A 30 -3.648 -3.278 4.039 1.00 25.14 H new ATOM 0 HB2 SER A 30 -1.836 -4.225 2.569 1.00 44.44 H new ATOM 0 HB3 SER A 30 -2.988 -4.294 1.250 1.00 44.44 H new ATOM 0 HG SER A 30 -1.516 -2.222 1.962 1.00 32.05 H new ATOM 427 N LYS A 31 -5.805 -2.441 3.194 1.00 35.53 N ATOM 428 CA LYS A 31 -7.073 -1.915 2.724 1.00 43.33 C ATOM 429 C LYS A 31 -6.866 -0.572 2.053 1.00 43.21 C ATOM 430 O LYS A 31 -5.857 0.094 2.272 1.00 71.15 O ATOM 431 CB LYS A 31 -8.094 -1.780 3.863 1.00 14.10 C ATOM 432 CG LYS A 31 -7.651 -0.866 4.996 1.00 35.52 C ATOM 433 CD LYS A 31 -6.696 -1.576 5.932 1.00 53.35 C ATOM 434 CE LYS A 31 -6.183 -0.654 7.027 1.00 21.43 C ATOM 435 NZ LYS A 31 -5.324 0.434 6.485 1.00 4.44 N ATOM 0 H LYS A 31 -5.446 -1.991 4.036 1.00 35.53 H new ATOM 0 HA LYS A 31 -7.474 -2.625 2.001 1.00 43.33 H new ATOM 0 HB2 LYS A 31 -9.031 -1.403 3.453 1.00 14.10 H new ATOM 0 HB3 LYS A 31 -8.300 -2.770 4.270 1.00 14.10 H new ATOM 0 HG2 LYS A 31 -7.169 0.020 4.584 1.00 35.52 H new ATOM 0 HG3 LYS A 31 -8.523 -0.524 5.553 1.00 35.52 H new ATOM 0 HD2 LYS A 31 -7.199 -2.431 6.384 1.00 53.35 H new ATOM 0 HD3 LYS A 31 -5.853 -1.967 5.362 1.00 53.35 H new ATOM 0 HE2 LYS A 31 -7.029 -0.217 7.558 1.00 21.43 H new ATOM 0 HE3 LYS A 31 -5.616 -1.235 7.754 1.00 21.43 H new ATOM 0 HZ1 LYS A 31 -4.848 0.923 7.269 1.00 4.44 H new ATOM 0 HZ2 LYS A 31 -4.611 0.028 5.846 1.00 4.44 H new ATOM 0 HZ3 LYS A 31 -5.913 1.112 5.960 1.00 4.44 H new ATOM 449 N PHE A 32 -7.830 -0.184 1.248 1.00 40.44 N ATOM 450 CA PHE A 32 -7.743 1.047 0.482 1.00 34.23 C ATOM 451 C PHE A 32 -9.136 1.569 0.167 1.00 14.23 C ATOM 452 O PHE A 32 -9.920 0.890 -0.489 1.00 51.01 O ATOM 453 CB PHE A 32 -6.965 0.805 -0.819 1.00 33.22 C ATOM 454 CG PHE A 32 -6.866 2.016 -1.706 1.00 64.42 C ATOM 455 CD1 PHE A 32 -5.948 3.015 -1.433 1.00 24.12 C ATOM 456 CD2 PHE A 32 -7.689 2.152 -2.814 1.00 61.12 C ATOM 457 CE1 PHE A 32 -5.853 4.128 -2.246 1.00 25.43 C ATOM 458 CE2 PHE A 32 -7.600 3.262 -3.630 1.00 32.44 C ATOM 459 CZ PHE A 32 -6.680 4.251 -3.346 1.00 31.11 C ATOM 0 H PHE A 32 -8.694 -0.707 1.104 1.00 40.44 H new ATOM 0 HA PHE A 32 -7.214 1.793 1.076 1.00 34.23 H new ATOM 0 HB2 PHE A 32 -5.959 0.465 -0.571 1.00 33.22 H new ATOM 0 HB3 PHE A 32 -7.446 -0.001 -1.374 1.00 33.22 H new ATOM 0 HD1 PHE A 32 -5.299 2.924 -0.575 1.00 24.12 H new ATOM 0 HD2 PHE A 32 -8.409 1.380 -3.041 1.00 61.12 H new ATOM 0 HE1 PHE A 32 -5.133 4.901 -2.022 1.00 25.43 H new ATOM 0 HE2 PHE A 32 -8.249 3.356 -4.488 1.00 32.44 H new ATOM 0 HZ PHE A 32 -6.607 5.120 -3.983 1.00 31.11 H new ATOM 469 N SER A 33 -9.440 2.761 0.647 1.00 33.30 N ATOM 470 CA SER A 33 -10.707 3.403 0.341 1.00 23.42 C ATOM 471 C SER A 33 -10.493 4.866 -0.023 1.00 34.31 C ATOM 472 O SER A 33 -10.189 5.699 0.830 1.00 63.02 O ATOM 473 CB SER A 33 -11.678 3.271 1.514 1.00 24.44 C ATOM 474 OG SER A 33 -11.016 3.475 2.750 1.00 14.54 O ATOM 0 H SER A 33 -8.826 3.306 1.252 1.00 33.30 H new ATOM 0 HA SER A 33 -11.146 2.899 -0.520 1.00 23.42 H new ATOM 0 HB2 SER A 33 -12.484 3.996 1.406 1.00 24.44 H new ATOM 0 HB3 SER A 33 -12.135 2.282 1.502 1.00 24.44 H new ATOM 0 HG SER A 33 -10.454 4.275 2.692 1.00 14.54 H new ATOM 480 N ARG A 34 -10.637 5.162 -1.302 1.00 61.51 N ATOM 481 CA ARG A 34 -10.470 6.514 -1.797 1.00 4.13 C ATOM 482 C ARG A 34 -11.689 6.927 -2.605 1.00 3.40 C ATOM 483 O ARG A 34 -12.293 6.105 -3.294 1.00 11.51 O ATOM 484 CB ARG A 34 -9.202 6.621 -2.653 1.00 74.33 C ATOM 485 CG ARG A 34 -9.027 7.975 -3.324 1.00 62.23 C ATOM 486 CD ARG A 34 -7.772 8.024 -4.179 1.00 72.43 C ATOM 487 NE ARG A 34 -7.758 9.187 -5.069 1.00 43.45 N ATOM 488 CZ ARG A 34 -6.649 9.797 -5.487 1.00 60.15 C ATOM 489 NH1 ARG A 34 -5.460 9.429 -5.015 1.00 51.11 N ATOM 490 NH2 ARG A 34 -6.729 10.788 -6.368 1.00 71.00 N ATOM 0 H ARG A 34 -10.871 4.477 -2.021 1.00 61.51 H new ATOM 0 HA ARG A 34 -10.367 7.187 -0.946 1.00 4.13 H new ATOM 0 HB2 ARG A 34 -8.333 6.422 -2.025 1.00 74.33 H new ATOM 0 HB3 ARG A 34 -9.226 5.846 -3.419 1.00 74.33 H new ATOM 0 HG2 ARG A 34 -9.898 8.188 -3.944 1.00 62.23 H new ATOM 0 HG3 ARG A 34 -8.979 8.754 -2.563 1.00 62.23 H new ATOM 0 HD2 ARG A 34 -6.894 8.052 -3.533 1.00 72.43 H new ATOM 0 HD3 ARG A 34 -7.702 7.113 -4.773 1.00 72.43 H new ATOM 0 HE ARG A 34 -8.654 9.554 -5.389 1.00 43.45 H new ATOM 0 HH11 ARG A 34 -5.394 8.676 -4.330 1.00 51.11 H new ATOM 0 HH12 ARG A 34 -4.615 9.900 -5.339 1.00 51.11 H new ATOM 0 HH21 ARG A 34 -7.639 11.082 -6.724 1.00 71.00 H new ATOM 0 HH22 ARG A 34 -5.881 11.255 -6.688 1.00 71.00 H new ATOM 504 N PHE A 35 -12.056 8.194 -2.497 1.00 11.10 N ATOM 505 CA PHE A 35 -13.144 8.735 -3.284 1.00 54.43 C ATOM 506 C PHE A 35 -12.616 9.223 -4.621 1.00 73.33 C ATOM 507 O PHE A 35 -11.580 9.887 -4.690 1.00 11.21 O ATOM 508 CB PHE A 35 -13.844 9.877 -2.543 1.00 71.13 C ATOM 509 CG PHE A 35 -14.488 9.455 -1.256 1.00 2.54 C ATOM 510 CD1 PHE A 35 -15.796 8.994 -1.238 1.00 15.32 C ATOM 511 CD2 PHE A 35 -13.789 9.520 -0.060 1.00 4.52 C ATOM 512 CE1 PHE A 35 -16.391 8.605 -0.051 1.00 73.43 C ATOM 513 CE2 PHE A 35 -14.379 9.133 1.126 1.00 3.22 C ATOM 514 CZ PHE A 35 -15.681 8.676 1.131 1.00 51.13 C ATOM 0 H PHE A 35 -11.613 8.865 -1.870 1.00 11.10 H new ATOM 0 HA PHE A 35 -13.876 7.945 -3.451 1.00 54.43 H new ATOM 0 HB2 PHE A 35 -13.118 10.663 -2.335 1.00 71.13 H new ATOM 0 HB3 PHE A 35 -14.603 10.309 -3.194 1.00 71.13 H new ATOM 0 HD1 PHE A 35 -16.356 8.938 -2.160 1.00 15.32 H new ATOM 0 HD2 PHE A 35 -12.770 9.878 -0.057 1.00 4.52 H new ATOM 0 HE1 PHE A 35 -17.410 8.246 -0.049 1.00 73.43 H new ATOM 0 HE2 PHE A 35 -13.822 9.188 2.050 1.00 3.22 H new ATOM 0 HZ PHE A 35 -16.144 8.374 2.059 1.00 51.13 H new ATOM 524 N PHE A 36 -13.314 8.867 -5.679 1.00 21.33 N ATOM 525 CA PHE A 36 -12.919 9.253 -7.022 1.00 23.43 C ATOM 526 C PHE A 36 -13.992 10.125 -7.651 1.00 11.41 C ATOM 527 O PHE A 36 -15.133 10.132 -7.193 1.00 53.51 O ATOM 528 CB PHE A 36 -12.669 8.016 -7.887 1.00 22.33 C ATOM 529 CG PHE A 36 -11.476 7.213 -7.453 1.00 74.33 C ATOM 530 CD1 PHE A 36 -10.208 7.534 -7.908 1.00 11.11 C ATOM 531 CD2 PHE A 36 -11.624 6.139 -6.594 1.00 51.52 C ATOM 532 CE1 PHE A 36 -9.110 6.798 -7.513 1.00 64.31 C ATOM 533 CE2 PHE A 36 -10.528 5.399 -6.194 1.00 64.41 C ATOM 534 CZ PHE A 36 -9.271 5.728 -6.654 1.00 23.34 C ATOM 0 H PHE A 36 -14.165 8.306 -5.636 1.00 21.33 H new ATOM 0 HA PHE A 36 -11.992 9.822 -6.960 1.00 23.43 H new ATOM 0 HB2 PHE A 36 -13.554 7.380 -7.862 1.00 22.33 H new ATOM 0 HB3 PHE A 36 -12.530 8.328 -8.922 1.00 22.33 H new ATOM 0 HD1 PHE A 36 -10.077 8.370 -8.579 1.00 11.11 H new ATOM 0 HD2 PHE A 36 -12.607 5.876 -6.232 1.00 51.52 H new ATOM 0 HE1 PHE A 36 -8.126 7.058 -7.875 1.00 64.31 H new ATOM 0 HE2 PHE A 36 -10.656 4.564 -5.522 1.00 64.41 H new ATOM 0 HZ PHE A 36 -8.413 5.150 -6.343 1.00 23.34 H new ATOM 544 N ALA A 37 -13.621 10.852 -8.700 1.00 43.50 N ATOM 545 CA ALA A 37 -14.544 11.753 -9.381 1.00 52.32 C ATOM 546 C ALA A 37 -15.737 10.989 -9.952 1.00 25.21 C ATOM 547 O ALA A 37 -16.880 11.433 -9.841 1.00 12.00 O ATOM 548 CB ALA A 37 -13.821 12.517 -10.483 1.00 51.31 C ATOM 0 H ALA A 37 -12.682 10.834 -9.099 1.00 43.50 H new ATOM 0 HA ALA A 37 -14.922 12.468 -8.650 1.00 52.32 H new ATOM 0 HB1 ALA A 37 -14.522 13.185 -10.983 1.00 51.31 H new ATOM 0 HB2 ALA A 37 -13.010 13.101 -10.049 1.00 51.31 H new ATOM 0 HB3 ALA A 37 -13.413 11.812 -11.207 1.00 51.31 H new ATOM 554 N THR A 38 -15.471 9.841 -10.561 1.00 54.53 N ATOM 555 CA THR A 38 -16.535 9.011 -11.106 1.00 52.11 C ATOM 556 C THR A 38 -16.199 7.541 -10.883 1.00 55.24 C ATOM 557 O THR A 38 -15.060 7.214 -10.546 1.00 2.31 O ATOM 558 CB THR A 38 -16.742 9.270 -12.616 1.00 74.53 C ATOM 559 OG1 THR A 38 -16.344 10.610 -12.951 1.00 3.21 O ATOM 560 CG2 THR A 38 -18.200 9.080 -13.001 1.00 24.20 C ATOM 0 H THR A 38 -14.531 9.465 -10.689 1.00 54.53 H new ATOM 0 HA THR A 38 -17.460 9.267 -10.590 1.00 52.11 H new ATOM 0 HB THR A 38 -16.129 8.555 -13.164 1.00 74.53 H new ATOM 0 HG1 THR A 38 -16.478 10.761 -13.910 1.00 3.21 H new ATOM 0 HG21 THR A 38 -18.322 9.267 -14.068 1.00 24.20 H new ATOM 0 HG22 THR A 38 -18.506 8.059 -12.775 1.00 24.20 H new ATOM 0 HG23 THR A 38 -18.819 9.778 -12.437 1.00 24.20 H new ATOM 568 N ARG A 39 -17.177 6.659 -11.068 1.00 24.23 N ATOM 569 CA ARG A 39 -16.965 5.227 -10.867 1.00 52.22 C ATOM 570 C ARG A 39 -15.902 4.698 -11.825 1.00 34.14 C ATOM 571 O ARG A 39 -15.180 3.754 -11.503 1.00 25.23 O ATOM 572 CB ARG A 39 -18.283 4.467 -11.037 1.00 34.02 C ATOM 573 CG ARG A 39 -18.131 2.957 -11.011 1.00 4.40 C ATOM 574 CD ARG A 39 -19.470 2.249 -11.125 1.00 44.34 C ATOM 575 NE ARG A 39 -19.305 0.812 -11.322 1.00 40.24 N ATOM 576 CZ ARG A 39 -19.888 -0.119 -10.568 1.00 41.13 C ATOM 577 NH1 ARG A 39 -20.648 0.231 -9.533 1.00 1.14 N ATOM 578 NH2 ARG A 39 -19.709 -1.404 -10.851 1.00 24.11 N ATOM 0 H ARG A 39 -18.123 6.909 -11.356 1.00 24.23 H new ATOM 0 HA ARG A 39 -16.606 5.068 -9.850 1.00 52.22 H new ATOM 0 HB2 ARG A 39 -18.969 4.767 -10.244 1.00 34.02 H new ATOM 0 HB3 ARG A 39 -18.741 4.760 -11.982 1.00 34.02 H new ATOM 0 HG2 ARG A 39 -17.484 2.643 -11.830 1.00 4.40 H new ATOM 0 HG3 ARG A 39 -17.640 2.658 -10.085 1.00 4.40 H new ATOM 0 HD2 ARG A 39 -20.054 2.428 -10.223 1.00 44.34 H new ATOM 0 HD3 ARG A 39 -20.034 2.668 -11.958 1.00 44.34 H new ATOM 0 HE ARG A 39 -18.705 0.501 -12.086 1.00 40.24 H new ATOM 0 HH11 ARG A 39 -20.787 1.217 -9.313 1.00 1.14 H new ATOM 0 HH12 ARG A 39 -21.091 -0.487 -8.960 1.00 1.14 H new ATOM 0 HH21 ARG A 39 -19.127 -1.675 -11.643 1.00 24.11 H new ATOM 0 HH22 ARG A 39 -20.154 -2.120 -10.276 1.00 24.11 H new ATOM 592 N GLU A 40 -15.797 5.333 -12.988 1.00 64.41 N ATOM 593 CA GLU A 40 -14.748 5.020 -13.950 1.00 60.20 C ATOM 594 C GLU A 40 -13.380 5.097 -13.291 1.00 64.11 C ATOM 595 O GLU A 40 -12.571 4.173 -13.382 1.00 54.44 O ATOM 596 CB GLU A 40 -14.782 6.027 -15.090 1.00 62.22 C ATOM 597 CG GLU A 40 -16.066 6.020 -15.890 1.00 11.35 C ATOM 598 CD GLU A 40 -16.092 7.118 -16.930 1.00 61.01 C ATOM 599 OE1 GLU A 40 -15.427 6.971 -17.979 1.00 64.10 O ATOM 600 OE2 GLU A 40 -16.776 8.140 -16.704 1.00 4.42 O ATOM 0 H GLU A 40 -16.432 6.073 -13.288 1.00 64.41 H new ATOM 0 HA GLU A 40 -14.920 4.011 -14.325 1.00 60.20 H new ATOM 0 HB2 GLU A 40 -14.628 7.026 -14.681 1.00 62.22 H new ATOM 0 HB3 GLU A 40 -13.948 5.825 -15.762 1.00 62.22 H new ATOM 0 HG2 GLU A 40 -16.182 5.053 -16.380 1.00 11.35 H new ATOM 0 HG3 GLU A 40 -16.914 6.139 -15.216 1.00 11.35 H new ATOM 607 N GLU A 41 -13.151 6.214 -12.614 1.00 73.24 N ATOM 608 CA GLU A 41 -11.897 6.471 -11.921 1.00 5.22 C ATOM 609 C GLU A 41 -11.611 5.369 -10.902 1.00 32.11 C ATOM 610 O GLU A 41 -10.463 5.002 -10.668 1.00 74.42 O ATOM 611 CB GLU A 41 -11.972 7.829 -11.216 1.00 72.20 C ATOM 612 CG GLU A 41 -12.382 8.979 -12.120 1.00 43.32 C ATOM 613 CD GLU A 41 -11.483 9.130 -13.327 1.00 53.23 C ATOM 614 OE1 GLU A 41 -10.275 9.390 -13.150 1.00 1.15 O ATOM 615 OE2 GLU A 41 -11.988 9.013 -14.460 1.00 30.33 O ATOM 0 H GLU A 41 -13.832 6.969 -12.530 1.00 73.24 H new ATOM 0 HA GLU A 41 -11.087 6.484 -12.650 1.00 5.22 H new ATOM 0 HB2 GLU A 41 -12.682 7.759 -10.392 1.00 72.20 H new ATOM 0 HB3 GLU A 41 -10.998 8.054 -10.780 1.00 72.20 H new ATOM 0 HG2 GLU A 41 -13.408 8.823 -12.455 1.00 43.32 H new ATOM 0 HG3 GLU A 41 -12.371 9.906 -11.547 1.00 43.32 H new ATOM 622 N ALA A 42 -12.676 4.831 -10.321 1.00 32.44 N ATOM 623 CA ALA A 42 -12.552 3.815 -9.284 1.00 22.30 C ATOM 624 C ALA A 42 -12.192 2.458 -9.878 1.00 12.51 C ATOM 625 O ALA A 42 -11.228 1.819 -9.456 1.00 44.52 O ATOM 626 CB ALA A 42 -13.840 3.715 -8.484 1.00 1.35 C ATOM 0 H ALA A 42 -13.637 5.082 -10.551 1.00 32.44 H new ATOM 0 HA ALA A 42 -11.744 4.115 -8.617 1.00 22.30 H new ATOM 0 HB1 ALA A 42 -13.731 2.952 -7.713 1.00 1.35 H new ATOM 0 HB2 ALA A 42 -14.053 4.676 -8.016 1.00 1.35 H new ATOM 0 HB3 ALA A 42 -14.661 3.445 -9.148 1.00 1.35 H new ATOM 632 N GLU A 43 -12.969 2.028 -10.866 1.00 31.22 N ATOM 633 CA GLU A 43 -12.756 0.736 -11.505 1.00 71.43 C ATOM 634 C GLU A 43 -11.405 0.687 -12.205 1.00 70.11 C ATOM 635 O GLU A 43 -10.736 -0.346 -12.218 1.00 61.42 O ATOM 636 CB GLU A 43 -13.876 0.445 -12.504 1.00 41.21 C ATOM 637 CG GLU A 43 -15.250 0.354 -11.862 1.00 54.31 C ATOM 638 CD GLU A 43 -16.326 -0.056 -12.844 1.00 41.44 C ATOM 639 OE1 GLU A 43 -16.346 -1.236 -13.245 1.00 64.44 O ATOM 640 OE2 GLU A 43 -17.153 0.797 -13.218 1.00 10.01 O ATOM 0 H GLU A 43 -13.755 2.558 -11.242 1.00 31.22 H new ATOM 0 HA GLU A 43 -12.766 -0.029 -10.728 1.00 71.43 H new ATOM 0 HB2 GLU A 43 -13.889 1.228 -13.262 1.00 41.21 H new ATOM 0 HB3 GLU A 43 -13.660 -0.492 -13.017 1.00 41.21 H new ATOM 0 HG2 GLU A 43 -15.217 -0.365 -11.043 1.00 54.31 H new ATOM 0 HG3 GLU A 43 -15.509 1.320 -11.428 1.00 54.31 H new ATOM 647 N SER A 44 -11.004 1.811 -12.780 1.00 31.24 N ATOM 648 CA SER A 44 -9.719 1.902 -13.454 1.00 53.13 C ATOM 649 C SER A 44 -8.580 1.763 -12.445 1.00 2.32 C ATOM 650 O SER A 44 -7.521 1.211 -12.756 1.00 35.12 O ATOM 651 CB SER A 44 -9.606 3.236 -14.203 1.00 14.44 C ATOM 652 OG SER A 44 -8.517 3.229 -15.114 1.00 33.33 O ATOM 0 H SER A 44 -11.550 2.672 -12.793 1.00 31.24 H new ATOM 0 HA SER A 44 -9.645 1.089 -14.176 1.00 53.13 H new ATOM 0 HB2 SER A 44 -10.533 3.431 -14.743 1.00 14.44 H new ATOM 0 HB3 SER A 44 -9.478 4.047 -13.487 1.00 14.44 H new ATOM 0 HG SER A 44 -8.472 4.092 -15.577 1.00 33.33 H new ATOM 658 N PHE A 45 -8.812 2.238 -11.224 1.00 60.23 N ATOM 659 CA PHE A 45 -7.786 2.212 -10.197 1.00 23.04 C ATOM 660 C PHE A 45 -7.643 0.795 -9.646 1.00 41.21 C ATOM 661 O PHE A 45 -6.561 0.380 -9.243 1.00 31.51 O ATOM 662 CB PHE A 45 -8.135 3.198 -9.079 1.00 3.32 C ATOM 663 CG PHE A 45 -6.930 3.786 -8.402 1.00 72.40 C ATOM 664 CD1 PHE A 45 -6.198 4.791 -9.017 1.00 12.40 C ATOM 665 CD2 PHE A 45 -6.528 3.342 -7.155 1.00 31.51 C ATOM 666 CE1 PHE A 45 -5.090 5.340 -8.401 1.00 50.21 C ATOM 667 CE2 PHE A 45 -5.419 3.888 -6.533 1.00 64.20 C ATOM 668 CZ PHE A 45 -4.700 4.888 -7.157 1.00 43.33 C ATOM 0 H PHE A 45 -9.700 2.643 -10.927 1.00 60.23 H new ATOM 0 HA PHE A 45 -6.833 2.513 -10.632 1.00 23.04 H new ATOM 0 HB2 PHE A 45 -8.740 4.005 -9.493 1.00 3.32 H new ATOM 0 HB3 PHE A 45 -8.748 2.689 -8.335 1.00 3.32 H new ATOM 0 HD1 PHE A 45 -6.498 5.149 -9.991 1.00 12.40 H new ATOM 0 HD2 PHE A 45 -7.086 2.560 -6.661 1.00 31.51 H new ATOM 0 HE1 PHE A 45 -4.530 6.122 -8.892 1.00 50.21 H new ATOM 0 HE2 PHE A 45 -5.116 3.532 -5.559 1.00 64.20 H new ATOM 0 HZ PHE A 45 -3.834 5.315 -6.673 1.00 43.33 H new ATOM 678 N MET A 46 -8.738 0.047 -9.660 1.00 63.32 N ATOM 679 CA MET A 46 -8.723 -1.342 -9.207 1.00 43.54 C ATOM 680 C MET A 46 -7.805 -2.186 -10.086 1.00 11.41 C ATOM 681 O MET A 46 -7.103 -3.074 -9.603 1.00 42.03 O ATOM 682 CB MET A 46 -10.144 -1.920 -9.210 1.00 12.45 C ATOM 683 CG MET A 46 -10.217 -3.402 -8.858 1.00 23.23 C ATOM 684 SD MET A 46 -9.362 -3.806 -7.319 1.00 62.03 S ATOM 685 CE MET A 46 -10.155 -2.675 -6.182 1.00 71.25 C ATOM 0 H MET A 46 -9.649 0.376 -9.980 1.00 63.32 H new ATOM 0 HA MET A 46 -8.339 -1.366 -8.187 1.00 43.54 H new ATOM 0 HB2 MET A 46 -10.754 -1.359 -8.501 1.00 12.45 H new ATOM 0 HB3 MET A 46 -10.583 -1.770 -10.196 1.00 12.45 H new ATOM 0 HG2 MET A 46 -11.263 -3.699 -8.775 1.00 23.23 H new ATOM 0 HG3 MET A 46 -9.784 -3.985 -9.671 1.00 23.23 H new ATOM 0 HE1 MET A 46 -10.327 -3.177 -5.230 1.00 71.25 H new ATOM 0 HE2 MET A 46 -9.513 -1.808 -6.024 1.00 71.25 H new ATOM 0 HE3 MET A 46 -11.108 -2.350 -6.598 1.00 71.25 H new ATOM 695 N THR A 47 -7.803 -1.886 -11.375 1.00 11.34 N ATOM 696 CA THR A 47 -6.975 -2.604 -12.331 1.00 22.02 C ATOM 697 C THR A 47 -5.490 -2.478 -11.982 1.00 54.33 C ATOM 698 O THR A 47 -4.772 -3.477 -11.916 1.00 23.53 O ATOM 699 CB THR A 47 -7.213 -2.075 -13.755 1.00 62.21 C ATOM 700 OG1 THR A 47 -8.621 -2.080 -14.036 1.00 12.35 O ATOM 701 CG2 THR A 47 -6.484 -2.924 -14.786 1.00 41.02 C ATOM 0 H THR A 47 -8.370 -1.144 -11.786 1.00 11.34 H new ATOM 0 HA THR A 47 -7.256 -3.656 -12.284 1.00 22.02 H new ATOM 0 HB THR A 47 -6.824 -1.059 -13.814 1.00 62.21 H new ATOM 0 HG1 THR A 47 -8.775 -1.741 -14.943 1.00 12.35 H new ATOM 0 HG21 THR A 47 -6.671 -2.526 -15.783 1.00 41.02 H new ATOM 0 HG22 THR A 47 -5.413 -2.904 -14.582 1.00 41.02 H new ATOM 0 HG23 THR A 47 -6.845 -3.951 -14.732 1.00 41.02 H new ATOM 709 N LYS A 48 -5.044 -1.254 -11.737 1.00 44.52 N ATOM 710 CA LYS A 48 -3.647 -1.011 -11.407 1.00 32.15 C ATOM 711 C LYS A 48 -3.314 -1.530 -10.009 1.00 52.11 C ATOM 712 O LYS A 48 -2.172 -1.886 -9.723 1.00 23.20 O ATOM 713 CB LYS A 48 -3.303 0.470 -11.554 1.00 74.02 C ATOM 714 CG LYS A 48 -4.156 1.399 -10.723 1.00 2.44 C ATOM 715 CD LYS A 48 -3.924 2.843 -11.120 1.00 14.14 C ATOM 716 CE LYS A 48 -2.446 3.200 -11.119 1.00 31.42 C ATOM 717 NZ LYS A 48 -2.197 4.530 -11.735 1.00 41.11 N ATOM 0 H LYS A 48 -5.626 -0.417 -11.760 1.00 44.52 H new ATOM 0 HA LYS A 48 -3.030 -1.564 -12.115 1.00 32.15 H new ATOM 0 HB2 LYS A 48 -2.258 0.616 -11.281 1.00 74.02 H new ATOM 0 HB3 LYS A 48 -3.400 0.750 -12.603 1.00 74.02 H new ATOM 0 HG2 LYS A 48 -5.208 1.146 -10.852 1.00 2.44 H new ATOM 0 HG3 LYS A 48 -3.923 1.266 -9.666 1.00 2.44 H new ATOM 0 HD2 LYS A 48 -4.339 3.018 -12.113 1.00 14.14 H new ATOM 0 HD3 LYS A 48 -4.457 3.499 -10.431 1.00 14.14 H new ATOM 0 HE2 LYS A 48 -2.073 3.199 -10.095 1.00 31.42 H new ATOM 0 HE3 LYS A 48 -1.888 2.438 -11.663 1.00 31.42 H new ATOM 0 HZ1 LYS A 48 -1.178 4.736 -11.715 1.00 41.11 H new ATOM 0 HZ2 LYS A 48 -2.530 4.524 -12.720 1.00 41.11 H new ATOM 0 HZ3 LYS A 48 -2.709 5.261 -11.201 1.00 41.11 H new ATOM 731 N LEU A 49 -4.320 -1.575 -9.144 1.00 2.24 N ATOM 732 CA LEU A 49 -4.169 -2.169 -7.820 1.00 4.34 C ATOM 733 C LEU A 49 -3.837 -3.654 -7.937 1.00 13.40 C ATOM 734 O LEU A 49 -3.038 -4.179 -7.162 1.00 22.03 O ATOM 735 CB LEU A 49 -5.447 -1.968 -6.994 1.00 74.11 C ATOM 736 CG LEU A 49 -5.468 -0.728 -6.086 1.00 40.25 C ATOM 737 CD1 LEU A 49 -4.796 -1.030 -4.761 1.00 43.51 C ATOM 738 CD2 LEU A 49 -4.777 0.449 -6.755 1.00 11.31 C ATOM 0 H LEU A 49 -5.252 -1.206 -9.336 1.00 2.24 H new ATOM 0 HA LEU A 49 -3.345 -1.670 -7.309 1.00 4.34 H new ATOM 0 HB2 LEU A 49 -6.294 -1.909 -7.678 1.00 74.11 H new ATOM 0 HB3 LEU A 49 -5.599 -2.852 -6.374 1.00 74.11 H new ATOM 0 HG LEU A 49 -6.510 -0.463 -5.907 1.00 40.25 H new ATOM 0 HD11 LEU A 49 -4.820 -0.141 -4.130 1.00 43.51 H new ATOM 0 HD12 LEU A 49 -5.324 -1.843 -4.262 1.00 43.51 H new ATOM 0 HD13 LEU A 49 -3.761 -1.323 -4.936 1.00 43.51 H new ATOM 0 HD21 LEU A 49 -4.806 1.313 -6.091 1.00 11.31 H new ATOM 0 HD22 LEU A 49 -3.740 0.189 -6.967 1.00 11.31 H new ATOM 0 HD23 LEU A 49 -5.289 0.690 -7.687 1.00 11.31 H new ATOM 750 N LYS A 50 -4.443 -4.329 -8.915 1.00 12.21 N ATOM 751 CA LYS A 50 -4.131 -5.721 -9.190 1.00 1.55 C ATOM 752 C LYS A 50 -2.682 -5.869 -9.644 1.00 32.34 C ATOM 753 O LYS A 50 -1.994 -6.808 -9.240 1.00 31.44 O ATOM 754 CB LYS A 50 -5.076 -6.242 -10.261 1.00 1.54 C ATOM 755 CG LYS A 50 -6.529 -6.211 -9.837 1.00 33.34 C ATOM 756 CD LYS A 50 -7.428 -6.181 -11.049 1.00 22.00 C ATOM 757 CE LYS A 50 -8.815 -6.708 -10.738 1.00 31.31 C ATOM 758 NZ LYS A 50 -9.637 -6.870 -11.966 1.00 13.43 N ATOM 0 H LYS A 50 -5.153 -3.928 -9.528 1.00 12.21 H new ATOM 0 HA LYS A 50 -4.258 -6.303 -8.277 1.00 1.55 H new ATOM 0 HB2 LYS A 50 -4.955 -5.646 -11.165 1.00 1.54 H new ATOM 0 HB3 LYS A 50 -4.799 -7.265 -10.515 1.00 1.54 H new ATOM 0 HG2 LYS A 50 -6.756 -7.087 -9.229 1.00 33.34 H new ATOM 0 HG3 LYS A 50 -6.715 -5.335 -9.216 1.00 33.34 H new ATOM 0 HD2 LYS A 50 -7.503 -5.159 -11.420 1.00 22.00 H new ATOM 0 HD3 LYS A 50 -6.983 -6.777 -11.846 1.00 22.00 H new ATOM 0 HE2 LYS A 50 -8.732 -7.668 -10.228 1.00 31.31 H new ATOM 0 HE3 LYS A 50 -9.317 -6.025 -10.053 1.00 31.31 H new ATOM 0 HZ1 LYS A 50 -10.577 -7.232 -11.709 1.00 13.43 H new ATOM 0 HZ2 LYS A 50 -9.738 -5.950 -12.440 1.00 13.43 H new ATOM 0 HZ3 LYS A 50 -9.171 -7.541 -12.609 1.00 13.43 H new ATOM 772 N GLU A 51 -2.229 -4.935 -10.481 1.00 15.11 N ATOM 773 CA GLU A 51 -0.835 -4.901 -10.919 1.00 45.21 C ATOM 774 C GLU A 51 0.086 -4.804 -9.708 1.00 41.24 C ATOM 775 O GLU A 51 1.023 -5.588 -9.547 1.00 20.32 O ATOM 776 CB GLU A 51 -0.580 -3.691 -11.825 1.00 40.45 C ATOM 777 CG GLU A 51 -1.444 -3.633 -13.073 1.00 52.32 C ATOM 778 CD GLU A 51 -1.088 -2.450 -13.953 1.00 71.34 C ATOM 779 OE1 GLU A 51 0.058 -2.402 -14.446 1.00 32.03 O ATOM 780 OE2 GLU A 51 -1.944 -1.559 -14.156 1.00 35.21 O ATOM 0 H GLU A 51 -2.809 -4.191 -10.869 1.00 15.11 H new ATOM 0 HA GLU A 51 -0.633 -5.817 -11.474 1.00 45.21 H new ATOM 0 HB2 GLU A 51 -0.742 -2.782 -11.246 1.00 40.45 H new ATOM 0 HB3 GLU A 51 0.468 -3.695 -12.126 1.00 40.45 H new ATOM 0 HG2 GLU A 51 -1.325 -4.556 -13.640 1.00 52.32 H new ATOM 0 HG3 GLU A 51 -2.493 -3.569 -12.785 1.00 52.32 H new ATOM 787 N LEU A 52 -0.209 -3.834 -8.851 1.00 15.43 N ATOM 788 CA LEU A 52 0.580 -3.580 -7.655 1.00 22.11 C ATOM 789 C LEU A 52 0.549 -4.771 -6.702 1.00 54.12 C ATOM 790 O LEU A 52 1.584 -5.186 -6.184 1.00 63.14 O ATOM 791 CB LEU A 52 0.063 -2.323 -6.954 1.00 51.25 C ATOM 792 CG LEU A 52 0.251 -1.029 -7.744 1.00 30.32 C ATOM 793 CD1 LEU A 52 -0.413 0.137 -7.032 1.00 60.41 C ATOM 794 CD2 LEU A 52 1.731 -0.746 -7.958 1.00 4.20 C ATOM 0 H LEU A 52 -1.002 -3.203 -8.967 1.00 15.43 H new ATOM 0 HA LEU A 52 1.616 -3.427 -7.956 1.00 22.11 H new ATOM 0 HB2 LEU A 52 -0.998 -2.452 -6.742 1.00 51.25 H new ATOM 0 HB3 LEU A 52 0.570 -2.224 -5.994 1.00 51.25 H new ATOM 0 HG LEU A 52 -0.224 -1.152 -8.717 1.00 30.32 H new ATOM 0 HD11 LEU A 52 -0.267 1.048 -7.612 1.00 60.41 H new ATOM 0 HD12 LEU A 52 -1.480 -0.060 -6.928 1.00 60.41 H new ATOM 0 HD13 LEU A 52 0.031 0.260 -6.044 1.00 60.41 H new ATOM 0 HD21 LEU A 52 1.847 0.179 -8.522 1.00 4.20 H new ATOM 0 HD22 LEU A 52 2.226 -0.646 -6.992 1.00 4.20 H new ATOM 0 HD23 LEU A 52 2.182 -1.568 -8.513 1.00 4.20 H new ATOM 806 N ALA A 53 -0.637 -5.328 -6.490 1.00 32.23 N ATOM 807 CA ALA A 53 -0.803 -6.460 -5.583 1.00 4.12 C ATOM 808 C ALA A 53 0.032 -7.657 -6.026 1.00 55.22 C ATOM 809 O ALA A 53 0.624 -8.349 -5.199 1.00 34.34 O ATOM 810 CB ALA A 53 -2.269 -6.852 -5.485 1.00 14.33 C ATOM 0 H ALA A 53 -1.500 -5.015 -6.934 1.00 32.23 H new ATOM 0 HA ALA A 53 -0.451 -6.150 -4.599 1.00 4.12 H new ATOM 0 HB1 ALA A 53 -2.375 -7.697 -4.805 1.00 14.33 H new ATOM 0 HB2 ALA A 53 -2.847 -6.008 -5.108 1.00 14.33 H new ATOM 0 HB3 ALA A 53 -2.638 -7.132 -6.472 1.00 14.33 H new ATOM 816 N ALA A 54 0.089 -7.880 -7.335 1.00 11.05 N ATOM 817 CA ALA A 54 0.826 -9.006 -7.893 1.00 75.25 C ATOM 818 C ALA A 54 2.330 -8.856 -7.672 1.00 4.44 C ATOM 819 O ALA A 54 3.029 -9.839 -7.434 1.00 31.05 O ATOM 820 CB ALA A 54 0.524 -9.152 -9.378 1.00 64.02 C ATOM 0 H ALA A 54 -0.369 -7.292 -8.031 1.00 11.05 H new ATOM 0 HA ALA A 54 0.500 -9.907 -7.373 1.00 75.25 H new ATOM 0 HB1 ALA A 54 1.082 -9.997 -9.781 1.00 64.02 H new ATOM 0 HB2 ALA A 54 -0.544 -9.322 -9.517 1.00 64.02 H new ATOM 0 HB3 ALA A 54 0.817 -8.241 -9.900 1.00 64.02 H new ATOM 826 N ALA A 55 2.818 -7.626 -7.738 1.00 14.34 N ATOM 827 CA ALA A 55 4.247 -7.366 -7.619 1.00 40.34 C ATOM 828 C ALA A 55 4.681 -7.258 -6.158 1.00 70.04 C ATOM 829 O ALA A 55 5.826 -7.559 -5.818 1.00 23.30 O ATOM 830 CB ALA A 55 4.619 -6.099 -8.377 1.00 30.14 C ATOM 0 H ALA A 55 2.247 -6.792 -7.873 1.00 14.34 H new ATOM 0 HA ALA A 55 4.775 -8.212 -8.059 1.00 40.34 H new ATOM 0 HB1 ALA A 55 5.689 -5.917 -8.279 1.00 30.14 H new ATOM 0 HB2 ALA A 55 4.366 -6.218 -9.431 1.00 30.14 H new ATOM 0 HB3 ALA A 55 4.068 -5.253 -7.965 1.00 30.14 H new ATOM 836 N ALA A 56 3.767 -6.832 -5.298 1.00 54.23 N ATOM 837 CA ALA A 56 4.085 -6.617 -3.891 1.00 42.21 C ATOM 838 C ALA A 56 4.032 -7.915 -3.089 1.00 40.11 C ATOM 839 O ALA A 56 4.708 -8.051 -2.070 1.00 4.32 O ATOM 840 CB ALA A 56 3.137 -5.593 -3.290 1.00 22.30 C ATOM 0 H ALA A 56 2.799 -6.628 -5.548 1.00 54.23 H new ATOM 0 HA ALA A 56 5.106 -6.240 -3.840 1.00 42.21 H new ATOM 0 HB1 ALA A 56 3.384 -5.441 -2.239 1.00 22.30 H new ATOM 0 HB2 ALA A 56 3.234 -4.649 -3.826 1.00 22.30 H new ATOM 0 HB3 ALA A 56 2.112 -5.954 -3.373 1.00 22.30 H new ATOM 846 N SER A 57 3.240 -8.870 -3.554 1.00 71.24 N ATOM 847 CA SER A 57 3.028 -10.098 -2.809 1.00 13.03 C ATOM 848 C SER A 57 4.050 -11.166 -3.178 1.00 71.11 C ATOM 849 O SER A 57 4.329 -11.411 -4.354 1.00 2.43 O ATOM 850 CB SER A 57 1.611 -10.620 -3.042 1.00 43.13 C ATOM 851 OG SER A 57 1.341 -10.765 -4.425 1.00 32.30 O ATOM 0 H SER A 57 2.737 -8.817 -4.440 1.00 71.24 H new ATOM 0 HA SER A 57 3.157 -9.869 -1.751 1.00 13.03 H new ATOM 0 HB2 SER A 57 1.487 -11.580 -2.542 1.00 43.13 H new ATOM 0 HB3 SER A 57 0.890 -9.934 -2.598 1.00 43.13 H new ATOM 0 HG SER A 57 0.788 -10.016 -4.731 1.00 32.30 H new ATOM 857 N SER A 58 4.603 -11.795 -2.156 1.00 71.03 N ATOM 858 CA SER A 58 5.532 -12.899 -2.331 1.00 32.40 C ATOM 859 C SER A 58 4.778 -14.212 -2.535 1.00 70.31 C ATOM 860 O SER A 58 5.374 -15.286 -2.594 1.00 34.43 O ATOM 861 CB SER A 58 6.432 -13.003 -1.104 1.00 32.02 C ATOM 862 OG SER A 58 6.997 -11.741 -0.783 1.00 44.34 O ATOM 0 H SER A 58 4.421 -11.555 -1.181 1.00 71.03 H new ATOM 0 HA SER A 58 6.139 -12.711 -3.216 1.00 32.40 H new ATOM 0 HB2 SER A 58 5.857 -13.375 -0.256 1.00 32.02 H new ATOM 0 HB3 SER A 58 7.227 -13.725 -1.291 1.00 32.02 H new ATOM 0 HG SER A 58 6.382 -11.245 -0.203 1.00 44.34 H new ATOM 868 N ALA A 59 3.463 -14.110 -2.647 1.00 32.51 N ATOM 869 CA ALA A 59 2.612 -15.277 -2.835 1.00 73.40 C ATOM 870 C ALA A 59 2.548 -15.672 -4.307 1.00 34.24 C ATOM 871 O ALA A 59 1.832 -16.605 -4.673 1.00 70.04 O ATOM 872 CB ALA A 59 1.218 -15.008 -2.292 1.00 31.05 C ATOM 0 H ALA A 59 2.958 -13.225 -2.611 1.00 32.51 H new ATOM 0 HA ALA A 59 3.046 -16.109 -2.281 1.00 73.40 H new ATOM 0 HB1 ALA A 59 0.594 -15.889 -2.440 1.00 31.05 H new ATOM 0 HB2 ALA A 59 1.280 -14.781 -1.228 1.00 31.05 H new ATOM 0 HB3 ALA A 59 0.780 -14.160 -2.819 1.00 31.05 H new ATOM 878 N ASP A 60 3.290 -14.934 -5.135 1.00 42.44 N ATOM 879 CA ASP A 60 3.439 -15.225 -6.567 1.00 1.11 C ATOM 880 C ASP A 60 2.178 -14.874 -7.359 1.00 53.03 C ATOM 881 O ASP A 60 2.201 -13.982 -8.211 1.00 12.13 O ATOM 882 CB ASP A 60 3.819 -16.695 -6.791 1.00 73.14 C ATOM 883 CG ASP A 60 4.058 -17.022 -8.249 1.00 64.53 C ATOM 884 OD1 ASP A 60 5.188 -16.801 -8.732 1.00 61.34 O ATOM 885 OD2 ASP A 60 3.122 -17.510 -8.919 1.00 51.21 O ATOM 0 H ASP A 60 3.809 -14.111 -4.831 1.00 42.44 H new ATOM 0 HA ASP A 60 4.246 -14.594 -6.938 1.00 1.11 H new ATOM 0 HB2 ASP A 60 4.718 -16.924 -6.220 1.00 73.14 H new ATOM 0 HB3 ASP A 60 3.025 -17.334 -6.405 1.00 73.14 H new ATOM 890 N GLU A 61 1.081 -15.564 -7.070 1.00 22.44 N ATOM 891 CA GLU A 61 -0.167 -15.357 -7.796 1.00 14.45 C ATOM 892 C GLU A 61 -0.792 -14.016 -7.435 1.00 2.22 C ATOM 893 O GLU A 61 -1.442 -13.379 -8.262 1.00 22.32 O ATOM 894 CB GLU A 61 -1.158 -16.482 -7.498 1.00 35.23 C ATOM 895 CG GLU A 61 -0.606 -17.865 -7.787 1.00 21.13 C ATOM 896 CD GLU A 61 -1.664 -18.945 -7.726 1.00 61.02 C ATOM 897 OE1 GLU A 61 -2.263 -19.137 -6.649 1.00 23.53 O ATOM 898 OE2 GLU A 61 -1.902 -19.606 -8.758 1.00 5.00 O ATOM 0 H GLU A 61 1.030 -16.272 -6.338 1.00 22.44 H new ATOM 0 HA GLU A 61 0.066 -15.360 -8.861 1.00 14.45 H new ATOM 0 HB2 GLU A 61 -1.452 -16.428 -6.450 1.00 35.23 H new ATOM 0 HB3 GLU A 61 -2.060 -16.328 -8.091 1.00 35.23 H new ATOM 0 HG2 GLU A 61 -0.147 -17.868 -8.776 1.00 21.13 H new ATOM 0 HG3 GLU A 61 0.182 -18.094 -7.069 1.00 21.13 H new ATOM 905 N GLY A 62 -0.594 -13.596 -6.195 1.00 52.31 N ATOM 906 CA GLY A 62 -1.144 -12.337 -5.747 1.00 64.01 C ATOM 907 C GLY A 62 -1.602 -12.403 -4.308 1.00 53.30 C ATOM 908 O GLY A 62 -0.878 -12.899 -3.448 1.00 43.53 O ATOM 0 H GLY A 62 -0.061 -14.106 -5.491 1.00 52.31 H new ATOM 0 HA2 GLY A 62 -0.393 -11.554 -5.854 1.00 64.01 H new ATOM 0 HA3 GLY A 62 -1.985 -12.061 -6.383 1.00 64.01 H new ATOM 912 N ALA A 63 -2.805 -11.924 -4.048 1.00 5.34 N ATOM 913 CA ALA A 63 -3.343 -11.900 -2.700 1.00 4.43 C ATOM 914 C ALA A 63 -4.857 -12.003 -2.742 1.00 43.14 C ATOM 915 O ALA A 63 -5.457 -11.879 -3.810 1.00 52.23 O ATOM 916 CB ALA A 63 -2.920 -10.624 -1.986 1.00 1.21 C ATOM 0 H ALA A 63 -3.431 -11.544 -4.758 1.00 5.34 H new ATOM 0 HA ALA A 63 -2.948 -12.753 -2.149 1.00 4.43 H new ATOM 0 HB1 ALA A 63 -3.330 -10.619 -0.976 1.00 1.21 H new ATOM 0 HB2 ALA A 63 -1.832 -10.579 -1.936 1.00 1.21 H new ATOM 0 HB3 ALA A 63 -3.294 -9.759 -2.534 1.00 1.21 H new ATOM 922 N SER A 64 -5.471 -12.228 -1.590 1.00 54.24 N ATOM 923 CA SER A 64 -6.920 -12.298 -1.503 1.00 15.32 C ATOM 924 C SER A 64 -7.519 -10.908 -1.683 1.00 12.03 C ATOM 925 O SER A 64 -7.371 -10.043 -0.818 1.00 65.35 O ATOM 926 CB SER A 64 -7.332 -12.879 -0.154 1.00 54.14 C ATOM 927 OG SER A 64 -6.655 -14.100 0.104 1.00 42.40 O ATOM 0 H SER A 64 -4.987 -12.365 -0.703 1.00 54.24 H new ATOM 0 HA SER A 64 -7.294 -12.947 -2.295 1.00 15.32 H new ATOM 0 HB2 SER A 64 -7.111 -12.163 0.637 1.00 54.14 H new ATOM 0 HB3 SER A 64 -8.409 -13.047 -0.140 1.00 54.14 H new ATOM 0 HG SER A 64 -6.935 -14.451 0.975 1.00 42.40 H new ATOM 933 N VAL A 65 -8.180 -10.695 -2.810 1.00 3.33 N ATOM 934 CA VAL A 65 -8.735 -9.391 -3.121 1.00 60.22 C ATOM 935 C VAL A 65 -10.250 -9.369 -2.934 1.00 24.42 C ATOM 936 O VAL A 65 -10.988 -10.136 -3.557 1.00 70.05 O ATOM 937 CB VAL A 65 -8.369 -8.934 -4.556 1.00 51.42 C ATOM 938 CG1 VAL A 65 -8.740 -9.992 -5.587 1.00 14.42 C ATOM 939 CG2 VAL A 65 -9.040 -7.607 -4.890 1.00 34.42 C ATOM 0 H VAL A 65 -8.344 -11.407 -3.521 1.00 3.33 H new ATOM 0 HA VAL A 65 -8.289 -8.687 -2.418 1.00 60.22 H new ATOM 0 HB VAL A 65 -7.289 -8.795 -4.591 1.00 51.42 H new ATOM 0 HG11 VAL A 65 -8.470 -9.640 -6.583 1.00 14.42 H new ATOM 0 HG12 VAL A 65 -8.203 -10.915 -5.370 1.00 14.42 H new ATOM 0 HG13 VAL A 65 -9.813 -10.179 -5.547 1.00 14.42 H new ATOM 0 HG21 VAL A 65 -8.768 -7.306 -5.902 1.00 34.42 H new ATOM 0 HG22 VAL A 65 -10.122 -7.719 -4.823 1.00 34.42 H new ATOM 0 HG23 VAL A 65 -8.710 -6.845 -4.184 1.00 34.42 H new ATOM 949 N ALA A 66 -10.691 -8.508 -2.037 1.00 35.20 N ATOM 950 CA ALA A 66 -12.102 -8.218 -1.869 1.00 0.43 C ATOM 951 C ALA A 66 -12.301 -6.717 -1.982 1.00 15.10 C ATOM 952 O ALA A 66 -11.581 -5.950 -1.345 1.00 42.15 O ATOM 953 CB ALA A 66 -12.605 -8.728 -0.526 1.00 13.24 C ATOM 0 H ALA A 66 -10.081 -7.990 -1.404 1.00 35.20 H new ATOM 0 HA ALA A 66 -12.675 -8.726 -2.645 1.00 0.43 H new ATOM 0 HB1 ALA A 66 -13.666 -8.498 -0.424 1.00 13.24 H new ATOM 0 HB2 ALA A 66 -12.460 -9.807 -0.469 1.00 13.24 H new ATOM 0 HB3 ALA A 66 -12.050 -8.244 0.278 1.00 13.24 H new ATOM 959 N TYR A 67 -13.247 -6.284 -2.800 1.00 3.44 N ATOM 960 CA TYR A 67 -13.399 -4.863 -3.058 1.00 13.15 C ATOM 961 C TYR A 67 -14.853 -4.475 -3.278 1.00 60.40 C ATOM 962 O TYR A 67 -15.682 -5.294 -3.678 1.00 71.32 O ATOM 963 CB TYR A 67 -12.559 -4.446 -4.270 1.00 43.14 C ATOM 964 CG TYR A 67 -12.966 -5.105 -5.573 1.00 70.32 C ATOM 965 CD1 TYR A 67 -12.525 -6.382 -5.896 1.00 61.52 C ATOM 966 CD2 TYR A 67 -13.784 -4.443 -6.482 1.00 2.10 C ATOM 967 CE1 TYR A 67 -12.889 -6.983 -7.085 1.00 62.33 C ATOM 968 CE2 TYR A 67 -14.152 -5.037 -7.674 1.00 12.05 C ATOM 969 CZ TYR A 67 -13.702 -6.306 -7.970 1.00 34.41 C ATOM 970 OH TYR A 67 -14.065 -6.899 -9.158 1.00 21.43 O ATOM 0 H TYR A 67 -13.910 -6.885 -3.289 1.00 3.44 H new ATOM 0 HA TYR A 67 -13.045 -4.336 -2.172 1.00 13.15 H new ATOM 0 HB2 TYR A 67 -12.626 -3.364 -4.388 1.00 43.14 H new ATOM 0 HB3 TYR A 67 -11.514 -4.681 -4.070 1.00 43.14 H new ATOM 0 HD1 TYR A 67 -11.887 -6.914 -5.206 1.00 61.52 H new ATOM 0 HD2 TYR A 67 -14.137 -3.449 -6.253 1.00 2.10 H new ATOM 0 HE1 TYR A 67 -12.539 -7.977 -7.320 1.00 62.33 H new ATOM 0 HE2 TYR A 67 -14.788 -4.510 -8.370 1.00 12.05 H new ATOM 0 HH TYR A 67 -14.640 -6.289 -9.666 1.00 21.43 H new ATOM 980 N LYS A 68 -15.142 -3.217 -2.996 1.00 75.01 N ATOM 981 CA LYS A 68 -16.445 -2.631 -3.231 1.00 23.34 C ATOM 982 C LYS A 68 -16.311 -1.400 -4.106 1.00 62.01 C ATOM 983 O LYS A 68 -15.353 -0.634 -3.983 1.00 12.14 O ATOM 984 CB LYS A 68 -17.104 -2.236 -1.912 1.00 33.24 C ATOM 985 CG LYS A 68 -17.550 -3.416 -1.079 1.00 44.45 C ATOM 986 CD LYS A 68 -17.934 -2.991 0.327 1.00 34.22 C ATOM 987 CE LYS A 68 -16.730 -2.498 1.113 1.00 11.41 C ATOM 988 NZ LYS A 68 -17.110 -1.983 2.454 1.00 70.34 N ATOM 0 H LYS A 68 -14.468 -2.567 -2.592 1.00 75.01 H new ATOM 0 HA LYS A 68 -17.066 -3.374 -3.732 1.00 23.34 H new ATOM 0 HB2 LYS A 68 -16.403 -1.636 -1.331 1.00 33.24 H new ATOM 0 HB3 LYS A 68 -17.967 -1.604 -2.122 1.00 33.24 H new ATOM 0 HG2 LYS A 68 -18.400 -3.901 -1.559 1.00 44.45 H new ATOM 0 HG3 LYS A 68 -16.748 -4.153 -1.031 1.00 44.45 H new ATOM 0 HD2 LYS A 68 -18.684 -2.202 0.277 1.00 34.22 H new ATOM 0 HD3 LYS A 68 -18.391 -3.832 0.850 1.00 34.22 H new ATOM 0 HE2 LYS A 68 -16.014 -3.312 1.227 1.00 11.41 H new ATOM 0 HE3 LYS A 68 -16.229 -1.710 0.551 1.00 11.41 H new ATOM 0 HZ1 LYS A 68 -16.259 -1.658 2.955 1.00 70.34 H new ATOM 0 HZ2 LYS A 68 -17.773 -1.189 2.346 1.00 70.34 H new ATOM 0 HZ3 LYS A 68 -17.565 -2.742 3.001 1.00 70.34 H new ATOM 1002 N ILE A 69 -17.269 -1.230 -4.986 1.00 63.21 N ATOM 1003 CA ILE A 69 -17.355 -0.044 -5.819 1.00 5.25 C ATOM 1004 C ILE A 69 -18.669 0.650 -5.514 1.00 64.50 C ATOM 1005 O ILE A 69 -19.734 0.189 -5.929 1.00 24.44 O ATOM 1006 CB ILE A 69 -17.287 -0.392 -7.321 1.00 33.24 C ATOM 1007 CG1 ILE A 69 -16.076 -1.287 -7.607 1.00 31.11 C ATOM 1008 CG2 ILE A 69 -17.213 0.882 -8.148 1.00 52.12 C ATOM 1009 CD1 ILE A 69 -16.014 -1.801 -9.030 1.00 15.33 C ATOM 0 H ILE A 69 -18.014 -1.908 -5.148 1.00 63.21 H new ATOM 0 HA ILE A 69 -16.508 0.606 -5.599 1.00 5.25 H new ATOM 0 HB ILE A 69 -18.190 -0.937 -7.597 1.00 33.24 H new ATOM 0 HG12 ILE A 69 -15.165 -0.728 -7.393 1.00 31.11 H new ATOM 0 HG13 ILE A 69 -16.096 -2.137 -6.925 1.00 31.11 H new ATOM 0 HG21 ILE A 69 -17.165 0.626 -9.207 1.00 52.12 H new ATOM 0 HG22 ILE A 69 -18.099 1.489 -7.961 1.00 52.12 H new ATOM 0 HG23 ILE A 69 -16.322 1.445 -7.870 1.00 52.12 H new ATOM 0 HD11 ILE A 69 -15.130 -2.426 -9.153 1.00 15.33 H new ATOM 0 HD12 ILE A 69 -16.907 -2.389 -9.244 1.00 15.33 H new ATOM 0 HD13 ILE A 69 -15.961 -0.958 -9.719 1.00 15.33 H new ATOM 1021 N LYS A 70 -18.607 1.740 -4.771 1.00 23.33 N ATOM 1022 CA LYS A 70 -19.813 2.329 -4.231 1.00 21.11 C ATOM 1023 C LYS A 70 -20.058 3.708 -4.814 1.00 51.02 C ATOM 1024 O LYS A 70 -19.336 4.668 -4.540 1.00 42.11 O ATOM 1025 CB LYS A 70 -19.713 2.353 -2.716 1.00 74.42 C ATOM 1026 CG LYS A 70 -20.960 2.812 -1.988 1.00 42.44 C ATOM 1027 CD LYS A 70 -20.879 2.423 -0.520 1.00 31.12 C ATOM 1028 CE LYS A 70 -21.848 3.216 0.331 1.00 70.52 C ATOM 1029 NZ LYS A 70 -21.521 4.665 0.320 1.00 64.33 N ATOM 0 H LYS A 70 -17.744 2.229 -4.531 1.00 23.33 H new ATOM 0 HA LYS A 70 -20.675 1.724 -4.512 1.00 21.11 H new ATOM 0 HB2 LYS A 70 -19.459 1.351 -2.370 1.00 74.42 H new ATOM 0 HB3 LYS A 70 -18.887 3.006 -2.434 1.00 74.42 H new ATOM 0 HG2 LYS A 70 -21.068 3.893 -2.081 1.00 42.44 H new ATOM 0 HG3 LYS A 70 -21.843 2.363 -2.443 1.00 42.44 H new ATOM 0 HD2 LYS A 70 -21.091 1.359 -0.415 1.00 31.12 H new ATOM 0 HD3 LYS A 70 -19.863 2.583 -0.158 1.00 31.12 H new ATOM 0 HE2 LYS A 70 -22.863 3.068 -0.038 1.00 70.52 H new ATOM 0 HE3 LYS A 70 -21.823 2.844 1.355 1.00 70.52 H new ATOM 0 HZ1 LYS A 70 -21.764 5.083 1.241 1.00 64.33 H new ATOM 0 HZ2 LYS A 70 -20.504 4.790 0.141 1.00 64.33 H new ATOM 0 HZ3 LYS A 70 -22.065 5.138 -0.429 1.00 64.33 H new ATOM 1043 N ASP A 71 -21.089 3.765 -5.630 1.00 74.34 N ATOM 1044 CA ASP A 71 -21.457 4.959 -6.369 1.00 33.20 C ATOM 1045 C ASP A 71 -22.132 5.974 -5.461 1.00 31.34 C ATOM 1046 O ASP A 71 -23.035 5.631 -4.695 1.00 62.55 O ATOM 1047 CB ASP A 71 -22.413 4.597 -7.510 1.00 44.23 C ATOM 1048 CG ASP A 71 -21.782 3.739 -8.591 1.00 54.31 C ATOM 1049 OD1 ASP A 71 -21.634 2.512 -8.379 1.00 1.24 O ATOM 1050 OD2 ASP A 71 -21.471 4.277 -9.674 1.00 33.04 O ATOM 0 H ASP A 71 -21.706 2.972 -5.803 1.00 74.34 H new ATOM 0 HA ASP A 71 -20.545 5.397 -6.774 1.00 33.20 H new ATOM 0 HB2 ASP A 71 -23.273 4.070 -7.097 1.00 44.23 H new ATOM 0 HB3 ASP A 71 -22.789 5.515 -7.962 1.00 44.23 H new ATOM 1055 N LEU A 72 -21.679 7.214 -5.539 1.00 23.44 N ATOM 1056 CA LEU A 72 -22.319 8.324 -4.846 1.00 22.43 C ATOM 1057 C LEU A 72 -22.702 9.392 -5.863 1.00 13.04 C ATOM 1058 O LEU A 72 -22.611 9.158 -7.069 1.00 53.21 O ATOM 1059 CB LEU A 72 -21.380 8.912 -3.786 1.00 13.42 C ATOM 1060 CG LEU A 72 -20.891 7.929 -2.722 1.00 23.12 C ATOM 1061 CD1 LEU A 72 -19.875 8.593 -1.808 1.00 53.34 C ATOM 1062 CD2 LEU A 72 -22.058 7.392 -1.909 1.00 4.23 C ATOM 0 H LEU A 72 -20.859 7.481 -6.083 1.00 23.44 H new ATOM 0 HA LEU A 72 -23.215 7.963 -4.340 1.00 22.43 H new ATOM 0 HB2 LEU A 72 -20.512 9.336 -4.290 1.00 13.42 H new ATOM 0 HB3 LEU A 72 -21.893 9.735 -3.288 1.00 13.42 H new ATOM 0 HG LEU A 72 -20.409 7.093 -3.229 1.00 23.12 H new ATOM 0 HD11 LEU A 72 -19.539 7.878 -1.057 1.00 53.34 H new ATOM 0 HD12 LEU A 72 -19.022 8.930 -2.396 1.00 53.34 H new ATOM 0 HD13 LEU A 72 -20.335 9.449 -1.313 1.00 53.34 H new ATOM 0 HD21 LEU A 72 -21.688 6.694 -1.158 1.00 4.23 H new ATOM 0 HD22 LEU A 72 -22.569 8.219 -1.416 1.00 4.23 H new ATOM 0 HD23 LEU A 72 -22.755 6.877 -2.570 1.00 4.23 H new ATOM 1074 N GLU A 73 -23.122 10.556 -5.394 1.00 32.14 N ATOM 1075 CA GLU A 73 -23.517 11.626 -6.297 1.00 33.35 C ATOM 1076 C GLU A 73 -22.358 12.587 -6.523 1.00 11.05 C ATOM 1077 O GLU A 73 -22.061 13.428 -5.670 1.00 13.42 O ATOM 1078 CB GLU A 73 -24.721 12.395 -5.752 1.00 54.23 C ATOM 1079 CG GLU A 73 -25.292 13.389 -6.751 1.00 53.43 C ATOM 1080 CD GLU A 73 -26.247 14.374 -6.121 1.00 1.42 C ATOM 1081 OE1 GLU A 73 -27.458 14.084 -6.057 1.00 42.32 O ATOM 1082 OE2 GLU A 73 -25.789 15.455 -5.697 1.00 34.35 O ATOM 0 H GLU A 73 -23.198 10.783 -4.403 1.00 32.14 H new ATOM 0 HA GLU A 73 -23.798 11.169 -7.246 1.00 33.35 H new ATOM 0 HB2 GLU A 73 -25.499 11.687 -5.467 1.00 54.23 H new ATOM 0 HB3 GLU A 73 -24.427 12.926 -4.847 1.00 54.23 H new ATOM 0 HG2 GLU A 73 -24.474 13.934 -7.221 1.00 53.43 H new ATOM 0 HG3 GLU A 73 -25.809 12.845 -7.542 1.00 53.43 H new ATOM 1089 N GLY A 74 -21.697 12.444 -7.661 1.00 12.32 N ATOM 1090 CA GLY A 74 -20.597 13.329 -8.007 1.00 61.44 C ATOM 1091 C GLY A 74 -19.261 12.771 -7.574 1.00 2.21 C ATOM 1092 O GLY A 74 -18.214 13.395 -7.773 1.00 31.14 O ATOM 0 H GLY A 74 -21.902 11.727 -8.357 1.00 12.32 H new ATOM 0 HA2 GLY A 74 -20.589 13.493 -9.085 1.00 61.44 H new ATOM 0 HA3 GLY A 74 -20.753 14.301 -7.538 1.00 61.44 H new ATOM 1096 N GLN A 75 -19.307 11.598 -6.968 1.00 22.35 N ATOM 1097 CA GLN A 75 -18.114 10.909 -6.514 1.00 44.32 C ATOM 1098 C GLN A 75 -18.443 9.450 -6.268 1.00 13.24 C ATOM 1099 O GLN A 75 -19.607 9.063 -6.285 1.00 25.12 O ATOM 1100 CB GLN A 75 -17.568 11.540 -5.227 1.00 22.41 C ATOM 1101 CG GLN A 75 -18.547 11.507 -4.058 1.00 13.34 C ATOM 1102 CD GLN A 75 -17.969 12.108 -2.789 1.00 23.40 C ATOM 1103 OE1 GLN A 75 -16.760 12.067 -2.557 1.00 24.32 O ATOM 1104 NE2 GLN A 75 -18.831 12.652 -1.943 1.00 62.14 N ATOM 0 H GLN A 75 -20.174 11.096 -6.777 1.00 22.35 H new ATOM 0 HA GLN A 75 -17.348 10.994 -7.285 1.00 44.32 H new ATOM 0 HB2 GLN A 75 -16.655 11.020 -4.938 1.00 22.41 H new ATOM 0 HB3 GLN A 75 -17.294 12.575 -5.430 1.00 22.41 H new ATOM 0 HG2 GLN A 75 -19.452 12.050 -4.332 1.00 13.34 H new ATOM 0 HG3 GLN A 75 -18.841 10.475 -3.865 1.00 13.34 H new ATOM 0 HE21 GLN A 75 -19.826 12.668 -2.168 1.00 62.14 H new ATOM 0 HE22 GLN A 75 -18.500 13.055 -1.066 1.00 62.14 H new ATOM 1113 N VAL A 76 -17.422 8.649 -6.054 1.00 74.25 N ATOM 1114 CA VAL A 76 -17.601 7.240 -5.722 1.00 15.24 C ATOM 1115 C VAL A 76 -16.525 6.812 -4.748 1.00 64.11 C ATOM 1116 O VAL A 76 -15.442 7.397 -4.729 1.00 74.32 O ATOM 1117 CB VAL A 76 -17.526 6.321 -6.960 1.00 23.21 C ATOM 1118 CG1 VAL A 76 -18.667 6.592 -7.925 1.00 41.24 C ATOM 1119 CG2 VAL A 76 -16.189 6.469 -7.657 1.00 31.45 C ATOM 0 H VAL A 76 -16.448 8.947 -6.103 1.00 74.25 H new ATOM 0 HA VAL A 76 -18.596 7.141 -5.287 1.00 15.24 H new ATOM 0 HB VAL A 76 -17.624 5.292 -6.614 1.00 23.21 H new ATOM 0 HG11 VAL A 76 -18.582 5.927 -8.785 1.00 41.24 H new ATOM 0 HG12 VAL A 76 -19.618 6.416 -7.422 1.00 41.24 H new ATOM 0 HG13 VAL A 76 -18.621 7.628 -8.262 1.00 41.24 H new ATOM 0 HG21 VAL A 76 -16.157 5.813 -8.527 1.00 31.45 H new ATOM 0 HG22 VAL A 76 -16.058 7.503 -7.978 1.00 31.45 H new ATOM 0 HG23 VAL A 76 -15.388 6.198 -6.969 1.00 31.45 H new ATOM 1129 N GLU A 77 -16.805 5.806 -3.942 1.00 2.10 N ATOM 1130 CA GLU A 77 -15.786 5.273 -3.063 1.00 2.12 C ATOM 1131 C GLU A 77 -15.330 3.909 -3.551 1.00 72.31 C ATOM 1132 O GLU A 77 -16.139 3.025 -3.850 1.00 15.13 O ATOM 1133 CB GLU A 77 -16.259 5.206 -1.602 1.00 10.41 C ATOM 1134 CG GLU A 77 -17.326 4.159 -1.344 1.00 72.43 C ATOM 1135 CD GLU A 77 -17.805 4.130 0.097 1.00 3.22 C ATOM 1136 OE1 GLU A 77 -18.729 4.903 0.440 1.00 72.33 O ATOM 1137 OE2 GLU A 77 -17.271 3.325 0.891 1.00 32.44 O ATOM 0 H GLU A 77 -17.714 5.348 -3.878 1.00 2.10 H new ATOM 0 HA GLU A 77 -14.938 5.957 -3.089 1.00 2.12 H new ATOM 0 HB2 GLU A 77 -15.401 5.000 -0.963 1.00 10.41 H new ATOM 0 HB3 GLU A 77 -16.646 6.183 -1.311 1.00 10.41 H new ATOM 0 HG2 GLU A 77 -18.177 4.349 -1.998 1.00 72.43 H new ATOM 0 HG3 GLU A 77 -16.933 3.177 -1.609 1.00 72.43 H new ATOM 1144 N LEU A 78 -14.032 3.771 -3.682 1.00 41.02 N ATOM 1145 CA LEU A 78 -13.434 2.500 -4.021 1.00 74.45 C ATOM 1146 C LEU A 78 -12.841 1.907 -2.756 1.00 60.20 C ATOM 1147 O LEU A 78 -11.867 2.433 -2.214 1.00 62.31 O ATOM 1148 CB LEU A 78 -12.368 2.684 -5.113 1.00 12.33 C ATOM 1149 CG LEU A 78 -11.852 1.403 -5.791 1.00 34.01 C ATOM 1150 CD1 LEU A 78 -10.898 0.636 -4.887 1.00 73.43 C ATOM 1151 CD2 LEU A 78 -13.013 0.512 -6.211 1.00 60.24 C ATOM 0 H LEU A 78 -13.363 4.531 -3.558 1.00 41.02 H new ATOM 0 HA LEU A 78 -14.185 1.819 -4.421 1.00 74.45 H new ATOM 0 HB2 LEU A 78 -12.778 3.336 -5.884 1.00 12.33 H new ATOM 0 HB3 LEU A 78 -11.517 3.205 -4.675 1.00 12.33 H new ATOM 0 HG LEU A 78 -11.300 1.704 -6.681 1.00 34.01 H new ATOM 0 HD11 LEU A 78 -10.554 -0.262 -5.400 1.00 73.43 H new ATOM 0 HD12 LEU A 78 -10.042 1.265 -4.644 1.00 73.43 H new ATOM 0 HD13 LEU A 78 -11.414 0.355 -3.969 1.00 73.43 H new ATOM 0 HD21 LEU A 78 -12.626 -0.388 -6.688 1.00 60.24 H new ATOM 0 HD22 LEU A 78 -13.596 0.235 -5.332 1.00 60.24 H new ATOM 0 HD23 LEU A 78 -13.649 1.050 -6.913 1.00 60.24 H new ATOM 1163 N ASP A 79 -13.442 0.833 -2.284 1.00 1.41 N ATOM 1164 CA ASP A 79 -13.063 0.245 -1.006 1.00 42.22 C ATOM 1165 C ASP A 79 -12.557 -1.170 -1.212 1.00 71.21 C ATOM 1166 O ASP A 79 -13.324 -2.068 -1.532 1.00 33.21 O ATOM 1167 CB ASP A 79 -14.259 0.242 -0.045 1.00 64.44 C ATOM 1168 CG ASP A 79 -13.901 -0.235 1.352 1.00 45.40 C ATOM 1169 OD1 ASP A 79 -13.764 -1.459 1.558 1.00 31.14 O ATOM 1170 OD2 ASP A 79 -13.775 0.614 2.260 1.00 13.21 O ATOM 0 H ASP A 79 -14.198 0.345 -2.765 1.00 1.41 H new ATOM 0 HA ASP A 79 -12.265 0.845 -0.569 1.00 42.22 H new ATOM 0 HB2 ASP A 79 -14.671 1.249 0.016 1.00 64.44 H new ATOM 0 HB3 ASP A 79 -15.042 -0.398 -0.451 1.00 64.44 H new ATOM 1175 N ALA A 80 -11.265 -1.365 -1.047 1.00 52.31 N ATOM 1176 CA ALA A 80 -10.669 -2.667 -1.268 1.00 12.14 C ATOM 1177 C ALA A 80 -9.921 -3.150 -0.037 1.00 22.01 C ATOM 1178 O ALA A 80 -9.504 -2.353 0.805 1.00 41.04 O ATOM 1179 CB ALA A 80 -9.737 -2.619 -2.467 1.00 0.34 C ATOM 0 H ALA A 80 -10.608 -0.639 -0.761 1.00 52.31 H new ATOM 0 HA ALA A 80 -11.473 -3.376 -1.469 1.00 12.14 H new ATOM 0 HB1 ALA A 80 -9.295 -3.603 -2.624 1.00 0.34 H new ATOM 0 HB2 ALA A 80 -10.300 -2.329 -3.354 1.00 0.34 H new ATOM 0 HB3 ALA A 80 -8.947 -1.891 -2.285 1.00 0.34 H new ATOM 1185 N ALA A 81 -9.779 -4.460 0.064 1.00 34.35 N ATOM 1186 CA ALA A 81 -9.005 -5.082 1.123 1.00 42.40 C ATOM 1187 C ALA A 81 -8.209 -6.250 0.554 1.00 33.41 C ATOM 1188 O ALA A 81 -8.784 -7.235 0.085 1.00 44.32 O ATOM 1189 CB ALA A 81 -9.917 -5.551 2.248 1.00 70.50 C ATOM 0 H ALA A 81 -10.198 -5.123 -0.588 1.00 34.35 H new ATOM 0 HA ALA A 81 -8.313 -4.348 1.536 1.00 42.40 H new ATOM 0 HB1 ALA A 81 -9.319 -6.014 3.032 1.00 70.50 H new ATOM 0 HB2 ALA A 81 -10.456 -4.697 2.659 1.00 70.50 H new ATOM 0 HB3 ALA A 81 -10.631 -6.277 1.859 1.00 70.50 H new ATOM 1195 N PHE A 82 -6.893 -6.118 0.565 1.00 13.22 N ATOM 1196 CA PHE A 82 -6.010 -7.152 0.048 1.00 12.21 C ATOM 1197 C PHE A 82 -5.337 -7.893 1.192 1.00 45.13 C ATOM 1198 O PHE A 82 -4.521 -7.324 1.916 1.00 52.42 O ATOM 1199 CB PHE A 82 -4.938 -6.541 -0.866 1.00 75.02 C ATOM 1200 CG PHE A 82 -5.485 -5.837 -2.075 1.00 55.23 C ATOM 1201 CD1 PHE A 82 -5.904 -4.519 -1.994 1.00 34.31 C ATOM 1202 CD2 PHE A 82 -5.572 -6.492 -3.290 1.00 60.04 C ATOM 1203 CE1 PHE A 82 -6.400 -3.868 -3.105 1.00 2.54 C ATOM 1204 CE2 PHE A 82 -6.069 -5.846 -4.406 1.00 40.30 C ATOM 1205 CZ PHE A 82 -6.484 -4.531 -4.313 1.00 63.43 C ATOM 0 H PHE A 82 -6.409 -5.298 0.930 1.00 13.22 H new ATOM 0 HA PHE A 82 -6.612 -7.853 -0.530 1.00 12.21 H new ATOM 0 HB2 PHE A 82 -4.343 -5.835 -0.287 1.00 75.02 H new ATOM 0 HB3 PHE A 82 -4.264 -7.332 -1.195 1.00 75.02 H new ATOM 0 HD1 PHE A 82 -5.842 -3.996 -1.051 1.00 34.31 H new ATOM 0 HD2 PHE A 82 -5.248 -7.519 -3.367 1.00 60.04 H new ATOM 0 HE1 PHE A 82 -6.722 -2.840 -3.030 1.00 2.54 H new ATOM 0 HE2 PHE A 82 -6.133 -6.368 -5.349 1.00 40.30 H new ATOM 0 HZ PHE A 82 -6.873 -4.023 -5.183 1.00 63.43 H new ATOM 1215 N THR A 83 -5.680 -9.157 1.361 1.00 64.41 N ATOM 1216 CA THR A 83 -5.085 -9.961 2.408 1.00 41.53 C ATOM 1217 C THR A 83 -3.804 -10.622 1.904 1.00 44.24 C ATOM 1218 O THR A 83 -3.850 -11.540 1.083 1.00 51.12 O ATOM 1219 CB THR A 83 -6.061 -11.041 2.903 1.00 53.21 C ATOM 1220 OG1 THR A 83 -7.372 -10.474 3.061 1.00 31.30 O ATOM 1221 CG2 THR A 83 -5.594 -11.613 4.234 1.00 52.54 C ATOM 0 H THR A 83 -6.366 -9.647 0.787 1.00 64.41 H new ATOM 0 HA THR A 83 -4.849 -9.300 3.242 1.00 41.53 H new ATOM 0 HB THR A 83 -6.094 -11.843 2.166 1.00 53.21 H new ATOM 0 HG1 THR A 83 -7.992 -11.165 3.375 1.00 31.30 H new ATOM 0 HG21 THR A 83 -6.297 -12.376 4.569 1.00 52.54 H new ATOM 0 HG22 THR A 83 -4.606 -12.058 4.112 1.00 52.54 H new ATOM 0 HG23 THR A 83 -5.544 -10.815 4.975 1.00 52.54 H new ATOM 1229 N PHE A 84 -2.664 -10.129 2.373 1.00 43.33 N ATOM 1230 CA PHE A 84 -1.374 -10.671 1.973 1.00 22.43 C ATOM 1231 C PHE A 84 -0.926 -11.758 2.942 1.00 71.42 C ATOM 1232 O PHE A 84 -1.481 -11.900 4.032 1.00 14.33 O ATOM 1233 CB PHE A 84 -0.323 -9.560 1.909 1.00 34.44 C ATOM 1234 CG PHE A 84 -0.603 -8.515 0.867 1.00 34.31 C ATOM 1235 CD1 PHE A 84 -0.259 -8.731 -0.457 1.00 25.13 C ATOM 1236 CD2 PHE A 84 -1.197 -7.314 1.213 1.00 22.32 C ATOM 1237 CE1 PHE A 84 -0.505 -7.769 -1.417 1.00 44.23 C ATOM 1238 CE2 PHE A 84 -1.443 -6.348 0.258 1.00 60.24 C ATOM 1239 CZ PHE A 84 -1.096 -6.575 -1.058 1.00 24.34 C ATOM 0 H PHE A 84 -2.608 -9.353 3.032 1.00 43.33 H new ATOM 0 HA PHE A 84 -1.482 -11.110 0.981 1.00 22.43 H new ATOM 0 HB2 PHE A 84 -0.259 -9.078 2.884 1.00 34.44 H new ATOM 0 HB3 PHE A 84 0.651 -10.006 1.709 1.00 34.44 H new ATOM 0 HD1 PHE A 84 0.207 -9.663 -0.742 1.00 25.13 H new ATOM 0 HD2 PHE A 84 -1.471 -7.130 2.241 1.00 22.32 H new ATOM 0 HE1 PHE A 84 -0.235 -7.951 -2.447 1.00 44.23 H new ATOM 0 HE2 PHE A 84 -1.907 -5.415 0.541 1.00 60.24 H new ATOM 0 HZ PHE A 84 -1.287 -5.819 -1.806 1.00 24.34 H new ATOM 1249 N SER A 85 0.072 -12.526 2.539 1.00 52.41 N ATOM 1250 CA SER A 85 0.591 -13.600 3.371 1.00 65.13 C ATOM 1251 C SER A 85 1.533 -13.062 4.447 1.00 2.03 C ATOM 1252 O SER A 85 1.649 -13.637 5.528 1.00 40.43 O ATOM 1253 CB SER A 85 1.319 -14.622 2.499 1.00 2.44 C ATOM 1254 OG SER A 85 0.466 -15.108 1.477 1.00 13.02 O ATOM 0 H SER A 85 0.541 -12.426 1.639 1.00 52.41 H new ATOM 0 HA SER A 85 -0.249 -14.081 3.872 1.00 65.13 H new ATOM 0 HB2 SER A 85 2.203 -14.164 2.055 1.00 2.44 H new ATOM 0 HB3 SER A 85 1.666 -15.452 3.115 1.00 2.44 H new ATOM 0 HG SER A 85 0.951 -15.760 0.929 1.00 13.02 H new ATOM 1260 N CYS A 86 2.196 -11.954 4.146 1.00 3.31 N ATOM 1261 CA CYS A 86 3.153 -11.364 5.069 1.00 64.34 C ATOM 1262 C CYS A 86 2.784 -9.912 5.355 1.00 62.41 C ATOM 1263 O CYS A 86 1.982 -9.313 4.635 1.00 71.12 O ATOM 1264 CB CYS A 86 4.566 -11.446 4.484 1.00 63.13 C ATOM 1265 SG CYS A 86 5.065 -13.114 3.986 1.00 61.12 S ATOM 0 H CYS A 86 2.088 -11.446 3.268 1.00 3.31 H new ATOM 0 HA CYS A 86 3.127 -11.921 6.006 1.00 64.34 H new ATOM 0 HB2 CYS A 86 4.628 -10.786 3.619 1.00 63.13 H new ATOM 0 HB3 CYS A 86 5.275 -11.071 5.222 1.00 63.13 H new ATOM 0 HG CYS A 86 6.271 -13.080 3.503 1.00 61.12 H new ATOM 1271 N GLN A 87 3.369 -9.348 6.401 1.00 4.24 N ATOM 1272 CA GLN A 87 3.076 -7.973 6.786 1.00 14.54 C ATOM 1273 C GLN A 87 3.855 -6.984 5.927 1.00 23.52 C ATOM 1274 O GLN A 87 3.372 -5.887 5.638 1.00 64.51 O ATOM 1275 CB GLN A 87 3.390 -7.761 8.267 1.00 51.44 C ATOM 1276 CG GLN A 87 3.232 -6.321 8.733 1.00 32.12 C ATOM 1277 CD GLN A 87 3.038 -6.230 10.228 1.00 4.40 C ATOM 1278 OE1 GLN A 87 3.996 -6.116 10.987 1.00 65.30 O ATOM 1279 NE2 GLN A 87 1.788 -6.282 10.657 1.00 74.52 N ATOM 0 H GLN A 87 4.048 -9.819 6.998 1.00 4.24 H new ATOM 0 HA GLN A 87 2.014 -7.793 6.623 1.00 14.54 H new ATOM 0 HB2 GLN A 87 2.735 -8.398 8.862 1.00 51.44 H new ATOM 0 HB3 GLN A 87 4.413 -8.085 8.461 1.00 51.44 H new ATOM 0 HG2 GLN A 87 4.114 -5.748 8.446 1.00 32.12 H new ATOM 0 HG3 GLN A 87 2.379 -5.868 8.228 1.00 32.12 H new ATOM 0 HE21 GLN A 87 1.023 -6.377 9.989 1.00 74.52 H new ATOM 0 HE22 GLN A 87 1.589 -6.227 11.656 1.00 74.52 H new ATOM 1288 N ALA A 88 5.052 -7.383 5.513 1.00 0.41 N ATOM 1289 CA ALA A 88 5.889 -6.553 4.656 1.00 11.31 C ATOM 1290 C ALA A 88 5.148 -6.164 3.385 1.00 53.52 C ATOM 1291 O ALA A 88 5.253 -5.034 2.918 1.00 74.32 O ATOM 1292 CB ALA A 88 7.186 -7.274 4.317 1.00 53.40 C ATOM 0 H ALA A 88 5.466 -8.282 5.759 1.00 0.41 H new ATOM 0 HA ALA A 88 6.131 -5.640 5.200 1.00 11.31 H new ATOM 0 HB1 ALA A 88 7.798 -6.639 3.676 1.00 53.40 H new ATOM 0 HB2 ALA A 88 7.730 -7.495 5.235 1.00 53.40 H new ATOM 0 HB3 ALA A 88 6.960 -8.204 3.796 1.00 53.40 H new ATOM 1298 N GLU A 89 4.371 -7.102 2.857 1.00 71.02 N ATOM 1299 CA GLU A 89 3.607 -6.879 1.634 1.00 61.02 C ATOM 1300 C GLU A 89 2.594 -5.753 1.837 1.00 63.45 C ATOM 1301 O GLU A 89 2.305 -4.988 0.920 1.00 74.32 O ATOM 1302 CB GLU A 89 2.850 -8.147 1.234 1.00 70.04 C ATOM 1303 CG GLU A 89 3.454 -9.443 1.755 1.00 64.35 C ATOM 1304 CD GLU A 89 4.770 -9.799 1.108 1.00 75.15 C ATOM 1305 OE1 GLU A 89 5.818 -9.303 1.566 1.00 5.10 O ATOM 1306 OE2 GLU A 89 4.763 -10.593 0.152 1.00 30.14 O ATOM 0 H GLU A 89 4.253 -8.032 3.260 1.00 71.02 H new ATOM 0 HA GLU A 89 4.310 -6.607 0.847 1.00 61.02 H new ATOM 0 HB2 GLU A 89 1.824 -8.070 1.595 1.00 70.04 H new ATOM 0 HB3 GLU A 89 2.802 -8.197 0.146 1.00 70.04 H new ATOM 0 HG2 GLU A 89 3.599 -9.359 2.832 1.00 64.35 H new ATOM 0 HG3 GLU A 89 2.746 -10.256 1.591 1.00 64.35 H new ATOM 1313 N MET A 90 2.064 -5.664 3.052 1.00 52.11 N ATOM 1314 CA MET A 90 1.039 -4.681 3.384 1.00 15.41 C ATOM 1315 C MET A 90 1.640 -3.275 3.403 1.00 40.54 C ATOM 1316 O MET A 90 1.128 -2.363 2.750 1.00 11.33 O ATOM 1317 CB MET A 90 0.414 -5.028 4.745 1.00 25.30 C ATOM 1318 CG MET A 90 -0.889 -4.297 5.056 1.00 74.11 C ATOM 1319 SD MET A 90 -0.673 -2.543 5.428 1.00 33.31 S ATOM 1320 CE MET A 90 0.379 -2.641 6.873 1.00 30.40 C ATOM 0 H MET A 90 2.331 -6.267 3.830 1.00 52.11 H new ATOM 0 HA MET A 90 0.258 -4.703 2.624 1.00 15.41 H new ATOM 0 HB2 MET A 90 0.229 -6.102 4.781 1.00 25.30 H new ATOM 0 HB3 MET A 90 1.137 -4.802 5.529 1.00 25.30 H new ATOM 0 HG2 MET A 90 -1.563 -4.398 4.205 1.00 74.11 H new ATOM 0 HG3 MET A 90 -1.372 -4.781 5.904 1.00 74.11 H new ATOM 0 HE1 MET A 90 0.620 -1.635 7.217 1.00 30.40 H new ATOM 0 HE2 MET A 90 -0.140 -3.181 7.665 1.00 30.40 H new ATOM 0 HE3 MET A 90 1.299 -3.167 6.618 1.00 30.40 H new ATOM 1330 N ILE A 91 2.746 -3.115 4.129 1.00 61.50 N ATOM 1331 CA ILE A 91 3.386 -1.813 4.270 1.00 41.24 C ATOM 1332 C ILE A 91 3.978 -1.324 2.948 1.00 24.22 C ATOM 1333 O ILE A 91 3.842 -0.149 2.607 1.00 63.31 O ATOM 1334 CB ILE A 91 4.477 -1.808 5.366 1.00 14.21 C ATOM 1335 CG1 ILE A 91 5.216 -3.147 5.410 1.00 72.41 C ATOM 1336 CG2 ILE A 91 3.862 -1.490 6.720 1.00 24.14 C ATOM 1337 CD1 ILE A 91 6.417 -3.150 6.332 1.00 11.14 C ATOM 0 H ILE A 91 3.215 -3.872 4.627 1.00 61.50 H new ATOM 0 HA ILE A 91 2.597 -1.125 4.575 1.00 41.24 H new ATOM 0 HB ILE A 91 5.203 -1.033 5.122 1.00 14.21 H new ATOM 0 HG12 ILE A 91 4.522 -3.924 5.729 1.00 72.41 H new ATOM 0 HG13 ILE A 91 5.542 -3.405 4.402 1.00 72.41 H new ATOM 0 HG21 ILE A 91 4.641 -1.490 7.482 1.00 24.14 H new ATOM 0 HG22 ILE A 91 3.390 -0.508 6.684 1.00 24.14 H new ATOM 0 HG23 ILE A 91 3.114 -2.244 6.966 1.00 24.14 H new ATOM 0 HD11 ILE A 91 6.889 -4.132 6.311 1.00 11.14 H new ATOM 0 HD12 ILE A 91 7.132 -2.396 6.001 1.00 11.14 H new ATOM 0 HD13 ILE A 91 6.096 -2.924 7.349 1.00 11.14 H new ATOM 1349 N ILE A 92 4.609 -2.219 2.186 1.00 74.10 N ATOM 1350 CA ILE A 92 5.180 -1.834 0.900 1.00 63.24 C ATOM 1351 C ILE A 92 4.077 -1.456 -0.085 1.00 54.22 C ATOM 1352 O ILE A 92 4.274 -0.608 -0.958 1.00 33.45 O ATOM 1353 CB ILE A 92 6.071 -2.938 0.285 1.00 12.34 C ATOM 1354 CG1 ILE A 92 5.266 -4.208 0.007 1.00 21.14 C ATOM 1355 CG2 ILE A 92 7.251 -3.234 1.202 1.00 22.52 C ATOM 1356 CD1 ILE A 92 6.065 -5.292 -0.683 1.00 0.21 C ATOM 0 H ILE A 92 4.735 -3.200 2.434 1.00 74.10 H new ATOM 0 HA ILE A 92 5.816 -0.970 1.091 1.00 63.24 H new ATOM 0 HB ILE A 92 6.454 -2.575 -0.669 1.00 12.34 H new ATOM 0 HG12 ILE A 92 4.880 -4.597 0.949 1.00 21.14 H new ATOM 0 HG13 ILE A 92 4.404 -3.954 -0.611 1.00 21.14 H new ATOM 0 HG21 ILE A 92 7.871 -4.013 0.758 1.00 22.52 H new ATOM 0 HG22 ILE A 92 7.845 -2.330 1.334 1.00 22.52 H new ATOM 0 HG23 ILE A 92 6.883 -3.572 2.171 1.00 22.52 H new ATOM 0 HD11 ILE A 92 5.430 -6.163 -0.848 1.00 0.21 H new ATOM 0 HD12 ILE A 92 6.429 -4.921 -1.641 1.00 0.21 H new ATOM 0 HD13 ILE A 92 6.912 -5.574 -0.057 1.00 0.21 H new ATOM 1368 N PHE A 93 2.916 -2.080 0.074 1.00 14.42 N ATOM 1369 CA PHE A 93 1.755 -1.763 -0.747 1.00 23.20 C ATOM 1370 C PHE A 93 1.333 -0.316 -0.492 1.00 52.54 C ATOM 1371 O PHE A 93 1.159 0.466 -1.426 1.00 64.45 O ATOM 1372 CB PHE A 93 0.614 -2.725 -0.418 1.00 0.50 C ATOM 1373 CG PHE A 93 -0.444 -2.807 -1.479 1.00 70.12 C ATOM 1374 CD1 PHE A 93 -0.173 -3.419 -2.692 1.00 23.51 C ATOM 1375 CD2 PHE A 93 -1.710 -2.293 -1.260 1.00 54.10 C ATOM 1376 CE1 PHE A 93 -1.145 -3.515 -3.666 1.00 54.50 C ATOM 1377 CE2 PHE A 93 -2.686 -2.383 -2.231 1.00 22.11 C ATOM 1378 CZ PHE A 93 -2.403 -2.997 -3.437 1.00 3.41 C ATOM 0 H PHE A 93 2.754 -2.811 0.767 1.00 14.42 H new ATOM 0 HA PHE A 93 2.007 -1.874 -1.802 1.00 23.20 H new ATOM 0 HB2 PHE A 93 1.028 -3.720 -0.255 1.00 0.50 H new ATOM 0 HB3 PHE A 93 0.151 -2.415 0.519 1.00 0.50 H new ATOM 0 HD1 PHE A 93 0.810 -3.825 -2.877 1.00 23.51 H new ATOM 0 HD2 PHE A 93 -1.937 -1.816 -0.318 1.00 54.10 H new ATOM 0 HE1 PHE A 93 -0.921 -3.995 -4.607 1.00 54.50 H new ATOM 0 HE2 PHE A 93 -3.669 -1.975 -2.049 1.00 22.11 H new ATOM 0 HZ PHE A 93 -3.165 -3.071 -4.198 1.00 3.41 H new ATOM 1388 N GLU A 94 1.227 0.035 0.789 1.00 4.51 N ATOM 1389 CA GLU A 94 0.923 1.400 1.213 1.00 2.05 C ATOM 1390 C GLU A 94 1.922 2.390 0.628 1.00 44.01 C ATOM 1391 O GLU A 94 1.558 3.507 0.246 1.00 60.33 O ATOM 1392 CB GLU A 94 0.956 1.501 2.742 1.00 14.11 C ATOM 1393 CG GLU A 94 -0.144 0.730 3.443 1.00 44.31 C ATOM 1394 CD GLU A 94 -1.488 1.404 3.296 1.00 1.52 C ATOM 1395 OE1 GLU A 94 -1.601 2.597 3.664 1.00 22.42 O ATOM 1396 OE2 GLU A 94 -2.438 0.756 2.827 1.00 10.23 O ATOM 0 H GLU A 94 1.350 -0.619 1.562 1.00 4.51 H new ATOM 0 HA GLU A 94 -0.074 1.646 0.849 1.00 2.05 H new ATOM 0 HB2 GLU A 94 1.921 1.139 3.097 1.00 14.11 H new ATOM 0 HB3 GLU A 94 0.886 2.551 3.026 1.00 14.11 H new ATOM 0 HG2 GLU A 94 -0.197 -0.279 3.034 1.00 44.31 H new ATOM 0 HG3 GLU A 94 0.099 0.632 4.501 1.00 44.31 H new ATOM 1403 N LEU A 95 3.180 1.977 0.571 1.00 73.22 N ATOM 1404 CA LEU A 95 4.239 2.805 0.018 1.00 52.42 C ATOM 1405 C LEU A 95 4.027 3.020 -1.474 1.00 41.30 C ATOM 1406 O LEU A 95 3.983 4.159 -1.946 1.00 53.30 O ATOM 1407 CB LEU A 95 5.603 2.155 0.263 1.00 65.10 C ATOM 1408 CG LEU A 95 5.938 1.870 1.728 1.00 72.40 C ATOM 1409 CD1 LEU A 95 7.319 1.244 1.851 1.00 13.43 C ATOM 1410 CD2 LEU A 95 5.856 3.145 2.547 1.00 43.13 C ATOM 0 H LEU A 95 3.493 1.065 0.904 1.00 73.22 H new ATOM 0 HA LEU A 95 4.213 3.774 0.517 1.00 52.42 H new ATOM 0 HB2 LEU A 95 5.645 1.217 -0.291 1.00 65.10 H new ATOM 0 HB3 LEU A 95 6.376 2.804 -0.150 1.00 65.10 H new ATOM 0 HG LEU A 95 5.207 1.161 2.117 1.00 72.40 H new ATOM 0 HD11 LEU A 95 7.538 1.049 2.901 1.00 13.43 H new ATOM 0 HD12 LEU A 95 7.344 0.307 1.295 1.00 13.43 H new ATOM 0 HD13 LEU A 95 8.065 1.927 1.445 1.00 13.43 H new ATOM 0 HD21 LEU A 95 6.097 2.925 3.587 1.00 43.13 H new ATOM 0 HD22 LEU A 95 6.565 3.875 2.156 1.00 43.13 H new ATOM 0 HD23 LEU A 95 4.847 3.552 2.487 1.00 43.13 H new ATOM 1422 N SER A 96 3.878 1.924 -2.207 1.00 41.33 N ATOM 1423 CA SER A 96 3.718 1.982 -3.655 1.00 34.02 C ATOM 1424 C SER A 96 2.495 2.801 -4.069 1.00 23.22 C ATOM 1425 O SER A 96 2.544 3.531 -5.058 1.00 60.31 O ATOM 1426 CB SER A 96 3.645 0.567 -4.238 1.00 72.22 C ATOM 1427 OG SER A 96 2.630 -0.207 -3.619 1.00 60.11 O ATOM 0 H SER A 96 3.865 0.980 -1.821 1.00 41.33 H new ATOM 0 HA SER A 96 4.593 2.489 -4.061 1.00 34.02 H new ATOM 0 HB2 SER A 96 3.455 0.625 -5.310 1.00 72.22 H new ATOM 0 HB3 SER A 96 4.608 0.072 -4.111 1.00 72.22 H new ATOM 0 HG SER A 96 2.227 0.306 -2.888 1.00 60.11 H new ATOM 1433 N LEU A 97 1.408 2.694 -3.307 1.00 54.33 N ATOM 1434 CA LEU A 97 0.193 3.452 -3.603 1.00 21.12 C ATOM 1435 C LEU A 97 0.476 4.953 -3.566 1.00 42.22 C ATOM 1436 O LEU A 97 0.141 5.688 -4.498 1.00 74.33 O ATOM 1437 CB LEU A 97 -0.916 3.119 -2.600 1.00 45.43 C ATOM 1438 CG LEU A 97 -1.314 1.645 -2.518 1.00 44.15 C ATOM 1439 CD1 LEU A 97 -2.425 1.457 -1.504 1.00 55.14 C ATOM 1440 CD2 LEU A 97 -1.746 1.122 -3.878 1.00 65.33 C ATOM 0 H LEU A 97 1.343 2.094 -2.485 1.00 54.33 H new ATOM 0 HA LEU A 97 -0.138 3.172 -4.603 1.00 21.12 H new ATOM 0 HB2 LEU A 97 -0.596 3.446 -1.611 1.00 45.43 H new ATOM 0 HB3 LEU A 97 -1.801 3.702 -2.857 1.00 45.43 H new ATOM 0 HG LEU A 97 -0.443 1.074 -2.196 1.00 44.15 H new ATOM 0 HD11 LEU A 97 -2.699 0.403 -1.456 1.00 55.14 H new ATOM 0 HD12 LEU A 97 -2.083 1.788 -0.524 1.00 55.14 H new ATOM 0 HD13 LEU A 97 -3.293 2.044 -1.803 1.00 55.14 H new ATOM 0 HD21 LEU A 97 -2.024 0.072 -3.792 1.00 65.33 H new ATOM 0 HD22 LEU A 97 -2.602 1.696 -4.233 1.00 65.33 H new ATOM 0 HD23 LEU A 97 -0.923 1.223 -4.585 1.00 65.33 H new ATOM 1452 N ARG A 98 1.128 5.385 -2.493 1.00 42.32 N ATOM 1453 CA ARG A 98 1.445 6.795 -2.288 1.00 55.25 C ATOM 1454 C ARG A 98 2.496 7.276 -3.286 1.00 32.21 C ATOM 1455 O ARG A 98 2.473 8.424 -3.723 1.00 73.31 O ATOM 1456 CB ARG A 98 1.953 7.012 -0.862 1.00 25.23 C ATOM 1457 CG ARG A 98 0.879 6.869 0.203 1.00 0.32 C ATOM 1458 CD ARG A 98 1.494 6.730 1.585 1.00 71.42 C ATOM 1459 NE ARG A 98 0.495 6.799 2.654 1.00 51.53 N ATOM 1460 CZ ARG A 98 -0.178 5.750 3.130 1.00 44.25 C ATOM 1461 NH1 ARG A 98 -0.050 4.554 2.568 1.00 73.32 N ATOM 1462 NH2 ARG A 98 -0.996 5.901 4.161 1.00 70.21 N ATOM 0 H ARG A 98 1.451 4.773 -1.744 1.00 42.32 H new ATOM 0 HA ARG A 98 0.534 7.372 -2.445 1.00 55.25 H new ATOM 0 HB2 ARG A 98 2.750 6.297 -0.658 1.00 25.23 H new ATOM 0 HB3 ARG A 98 2.391 8.007 -0.791 1.00 25.23 H new ATOM 0 HG2 ARG A 98 0.222 7.738 0.180 1.00 0.32 H new ATOM 0 HG3 ARG A 98 0.262 5.997 -0.013 1.00 0.32 H new ATOM 0 HD2 ARG A 98 2.025 5.780 1.649 1.00 71.42 H new ATOM 0 HD3 ARG A 98 2.233 7.518 1.731 1.00 71.42 H new ATOM 0 HE ARG A 98 0.300 7.713 3.063 1.00 51.53 H new ATOM 0 HH11 ARG A 98 0.567 4.431 1.765 1.00 73.32 H new ATOM 0 HH12 ARG A 98 -0.569 3.758 2.939 1.00 73.32 H new ATOM 0 HH21 ARG A 98 -1.111 6.819 4.591 1.00 70.21 H new ATOM 0 HH22 ARG A 98 -1.511 5.099 4.525 1.00 70.21 H new ATOM 1476 N SER A 99 3.404 6.381 -3.648 1.00 34.51 N ATOM 1477 CA SER A 99 4.518 6.730 -4.522 1.00 62.11 C ATOM 1478 C SER A 99 4.081 6.829 -5.983 1.00 43.04 C ATOM 1479 O SER A 99 4.589 7.657 -6.734 1.00 30.14 O ATOM 1480 CB SER A 99 5.636 5.696 -4.377 1.00 3.33 C ATOM 1481 OG SER A 99 6.035 5.559 -3.022 1.00 53.42 O ATOM 0 H SER A 99 3.392 5.406 -3.350 1.00 34.51 H new ATOM 0 HA SER A 99 4.886 7.711 -4.220 1.00 62.11 H new ATOM 0 HB2 SER A 99 5.296 4.733 -4.758 1.00 3.33 H new ATOM 0 HB3 SER A 99 6.492 5.994 -4.983 1.00 3.33 H new ATOM 0 HG SER A 99 5.359 5.046 -2.532 1.00 53.42 H new ATOM 1487 N LEU A 100 3.140 5.986 -6.381 1.00 3.30 N ATOM 1488 CA LEU A 100 2.692 5.949 -7.767 1.00 42.43 C ATOM 1489 C LEU A 100 1.722 7.087 -8.057 1.00 33.14 C ATOM 1490 O LEU A 100 1.802 7.737 -9.102 1.00 52.15 O ATOM 1491 CB LEU A 100 2.028 4.609 -8.066 1.00 74.54 C ATOM 1492 CG LEU A 100 1.687 4.359 -9.538 1.00 11.03 C ATOM 1493 CD1 LEU A 100 2.947 4.365 -10.394 1.00 22.31 C ATOM 1494 CD2 LEU A 100 0.945 3.041 -9.691 1.00 22.42 C ATOM 0 H LEU A 100 2.672 5.320 -5.767 1.00 3.30 H new ATOM 0 HA LEU A 100 3.563 6.070 -8.411 1.00 42.43 H new ATOM 0 HB2 LEU A 100 2.687 3.812 -7.723 1.00 74.54 H new ATOM 0 HB3 LEU A 100 1.111 4.539 -7.481 1.00 74.54 H new ATOM 0 HG LEU A 100 1.040 5.166 -9.882 1.00 11.03 H new ATOM 0 HD11 LEU A 100 2.680 4.185 -11.435 1.00 22.31 H new ATOM 0 HD12 LEU A 100 3.441 5.333 -10.308 1.00 22.31 H new ATOM 0 HD13 LEU A 100 3.623 3.581 -10.052 1.00 22.31 H new ATOM 0 HD21 LEU A 100 0.709 2.876 -10.742 1.00 22.42 H new ATOM 0 HD22 LEU A 100 1.572 2.226 -9.328 1.00 22.42 H new ATOM 0 HD23 LEU A 100 0.022 3.074 -9.113 1.00 22.42 H new