USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=19 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 Single : A 27 ASN : amide:sc= 0.629 K(o=0.63,f=-4.6!) USER MOD Single : A 28 CYS SG : rot 180:sc= -0.0904 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -105:sc= 0.601 (180deg=-0.052) USER MOD Single : A 33 SER OG : rot 47:sc=0.000223 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.434 USER MOD Single : A 44 SER OG : rot 95:sc= 1.21 USER MOD Single : A 46 MET CE :methyl 140:sc= -0.449 (180deg=-3.63!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00195 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 -142:sc= 1.1 USER MOD Single : A 58 SER OG : rot 96:sc= 1.34 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -162:sc= 0.211 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0131 K(o=-0.013,f=-0.91) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -160:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 MET CE :methyl 177:sc= -1.02 (180deg=-1.04) USER MOD Single : A 96 SER OG : rot 77:sc= 1.16 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0558 USER MOD ----------------------------------------------------------------- ATOM 377 N ASN A 27 -2.339 -5.816 11.176 1.00 2.31 N ATOM 378 CA ASN A 27 -2.824 -6.998 10.485 1.00 53.42 C ATOM 379 C ASN A 27 -2.469 -6.898 9.006 1.00 62.01 C ATOM 380 O ASN A 27 -1.937 -5.879 8.566 1.00 72.44 O ATOM 381 CB ASN A 27 -4.340 -7.160 10.678 1.00 25.12 C ATOM 382 CG ASN A 27 -5.149 -6.037 10.058 1.00 20.21 C ATOM 383 OD1 ASN A 27 -5.557 -6.119 8.902 1.00 11.24 O ATOM 384 ND2 ASN A 27 -5.398 -4.988 10.825 1.00 13.24 N ATOM 0 HA ASN A 27 -2.345 -7.882 10.906 1.00 53.42 H new ATOM 0 HB2 ASN A 27 -4.655 -8.108 10.242 1.00 25.12 H new ATOM 0 HB3 ASN A 27 -4.560 -7.210 11.744 1.00 25.12 H new ATOM 0 HD21 ASN A 27 -5.947 -4.209 10.461 1.00 13.24 H new ATOM 0 HD22 ASN A 27 -5.041 -4.958 11.780 1.00 13.24 H new ATOM 391 N CYS A 28 -2.753 -7.942 8.243 1.00 50.34 N ATOM 392 CA CYS A 28 -2.352 -7.991 6.846 1.00 54.12 C ATOM 393 C CYS A 28 -3.539 -7.740 5.915 1.00 43.22 C ATOM 394 O CYS A 28 -3.525 -8.142 4.749 1.00 53.34 O ATOM 395 CB CYS A 28 -1.714 -9.344 6.541 1.00 72.01 C ATOM 396 SG CYS A 28 -0.268 -9.715 7.560 1.00 70.31 S ATOM 0 H CYS A 28 -3.259 -8.766 8.567 1.00 50.34 H new ATOM 0 HA CYS A 28 -1.623 -7.200 6.671 1.00 54.12 H new ATOM 0 HB2 CYS A 28 -2.459 -10.127 6.685 1.00 72.01 H new ATOM 0 HB3 CYS A 28 -1.423 -9.370 5.491 1.00 72.01 H new ATOM 0 HG CYS A 28 0.205 -10.881 7.234 1.00 70.31 H new ATOM 402 N THR A 29 -4.553 -7.058 6.426 1.00 31.03 N ATOM 403 CA THR A 29 -5.721 -6.719 5.632 1.00 55.45 C ATOM 404 C THR A 29 -5.846 -5.204 5.491 1.00 71.54 C ATOM 405 O THR A 29 -6.134 -4.507 6.462 1.00 5.53 O ATOM 406 CB THR A 29 -7.007 -7.277 6.272 1.00 72.35 C ATOM 407 OG1 THR A 29 -6.821 -8.661 6.612 1.00 32.32 O ATOM 408 CG2 THR A 29 -8.192 -7.138 5.322 1.00 72.24 C ATOM 0 H THR A 29 -4.589 -6.728 7.391 1.00 31.03 H new ATOM 0 HA THR A 29 -5.594 -7.168 4.647 1.00 55.45 H new ATOM 0 HB THR A 29 -7.217 -6.703 7.174 1.00 72.35 H new ATOM 0 HG1 THR A 29 -7.641 -9.011 7.020 1.00 32.32 H new ATOM 0 HG21 THR A 29 -9.088 -7.539 5.796 1.00 72.24 H new ATOM 0 HG22 THR A 29 -8.347 -6.085 5.085 1.00 72.24 H new ATOM 0 HG23 THR A 29 -7.989 -7.690 4.404 1.00 72.24 H new ATOM 416 N SER A 30 -5.621 -4.698 4.289 1.00 52.23 N ATOM 417 CA SER A 30 -5.689 -3.266 4.041 1.00 31.02 C ATOM 418 C SER A 30 -7.040 -2.890 3.442 1.00 53.33 C ATOM 419 O SER A 30 -7.402 -3.349 2.358 1.00 24.23 O ATOM 420 CB SER A 30 -4.557 -2.833 3.103 1.00 60.24 C ATOM 421 OG SER A 30 -4.546 -1.427 2.928 1.00 65.14 O ATOM 0 H SER A 30 -5.389 -5.258 3.469 1.00 52.23 H new ATOM 0 HA SER A 30 -5.574 -2.747 4.993 1.00 31.02 H new ATOM 0 HB2 SER A 30 -3.600 -3.159 3.510 1.00 60.24 H new ATOM 0 HB3 SER A 30 -4.676 -3.322 2.136 1.00 60.24 H new ATOM 0 HG SER A 30 -3.813 -1.178 2.327 1.00 65.14 H new ATOM 427 N LYS A 31 -7.792 -2.079 4.171 1.00 4.13 N ATOM 428 CA LYS A 31 -9.066 -1.569 3.694 1.00 12.33 C ATOM 429 C LYS A 31 -8.908 -0.122 3.260 1.00 40.32 C ATOM 430 O LYS A 31 -8.649 0.759 4.081 1.00 50.24 O ATOM 431 CB LYS A 31 -10.124 -1.668 4.789 1.00 54.31 C ATOM 432 CG LYS A 31 -10.535 -3.092 5.118 1.00 23.34 C ATOM 433 CD LYS A 31 -11.384 -3.701 4.015 1.00 61.01 C ATOM 434 CE LYS A 31 -12.684 -2.937 3.834 1.00 0.51 C ATOM 435 NZ LYS A 31 -13.604 -3.616 2.888 1.00 51.21 N ATOM 0 H LYS A 31 -7.537 -1.758 5.105 1.00 4.13 H new ATOM 0 HA LYS A 31 -9.388 -2.170 2.843 1.00 12.33 H new ATOM 0 HB2 LYS A 31 -9.744 -1.192 5.693 1.00 54.31 H new ATOM 0 HB3 LYS A 31 -11.006 -1.107 4.480 1.00 54.31 H new ATOM 0 HG2 LYS A 31 -9.644 -3.702 5.270 1.00 23.34 H new ATOM 0 HG3 LYS A 31 -11.093 -3.103 6.054 1.00 23.34 H new ATOM 0 HD2 LYS A 31 -10.825 -3.698 3.079 1.00 61.01 H new ATOM 0 HD3 LYS A 31 -11.602 -4.742 4.253 1.00 61.01 H new ATOM 0 HE2 LYS A 31 -13.176 -2.826 4.800 1.00 0.51 H new ATOM 0 HE3 LYS A 31 -12.466 -1.933 3.470 1.00 0.51 H new ATOM 0 HZ1 LYS A 31 -13.606 -3.108 1.981 1.00 51.21 H new ATOM 0 HZ2 LYS A 31 -13.286 -4.594 2.736 1.00 51.21 H new ATOM 0 HZ3 LYS A 31 -14.566 -3.622 3.283 1.00 51.21 H new ATOM 449 N PHE A 32 -9.047 0.112 1.971 1.00 43.00 N ATOM 450 CA PHE A 32 -8.885 1.445 1.415 1.00 31.32 C ATOM 451 C PHE A 32 -10.124 1.847 0.633 1.00 33.33 C ATOM 452 O PHE A 32 -10.493 1.194 -0.339 1.00 14.32 O ATOM 453 CB PHE A 32 -7.647 1.503 0.514 1.00 73.23 C ATOM 454 CG PHE A 32 -7.414 2.853 -0.109 1.00 0.03 C ATOM 455 CD1 PHE A 32 -6.920 3.903 0.649 1.00 52.44 C ATOM 456 CD2 PHE A 32 -7.687 3.069 -1.449 1.00 51.00 C ATOM 457 CE1 PHE A 32 -6.705 5.144 0.079 1.00 64.25 C ATOM 458 CE2 PHE A 32 -7.475 4.307 -2.024 1.00 14.11 C ATOM 459 CZ PHE A 32 -6.982 5.346 -1.258 1.00 11.10 C ATOM 0 H PHE A 32 -9.273 -0.607 1.283 1.00 43.00 H new ATOM 0 HA PHE A 32 -8.749 2.147 2.238 1.00 31.32 H new ATOM 0 HB2 PHE A 32 -6.770 1.226 1.099 1.00 73.23 H new ATOM 0 HB3 PHE A 32 -7.750 0.760 -0.277 1.00 73.23 H new ATOM 0 HD1 PHE A 32 -6.701 3.750 1.695 1.00 52.44 H new ATOM 0 HD2 PHE A 32 -8.071 2.259 -2.052 1.00 51.00 H new ATOM 0 HE1 PHE A 32 -6.320 5.955 0.680 1.00 64.25 H new ATOM 0 HE2 PHE A 32 -7.694 4.462 -3.070 1.00 14.11 H new ATOM 0 HZ PHE A 32 -6.814 6.315 -1.705 1.00 11.10 H new ATOM 469 N SER A 33 -10.766 2.916 1.065 1.00 55.21 N ATOM 470 CA SER A 33 -11.958 3.402 0.399 1.00 54.22 C ATOM 471 C SER A 33 -11.839 4.890 0.083 1.00 44.44 C ATOM 472 O SER A 33 -11.827 5.731 0.982 1.00 23.14 O ATOM 473 CB SER A 33 -13.189 3.115 1.260 1.00 41.41 C ATOM 474 OG SER A 33 -12.932 3.367 2.634 1.00 74.04 O ATOM 0 H SER A 33 -10.481 3.465 1.876 1.00 55.21 H new ATOM 0 HA SER A 33 -12.069 2.876 -0.549 1.00 54.22 H new ATOM 0 HB2 SER A 33 -14.021 3.734 0.925 1.00 41.41 H new ATOM 0 HB3 SER A 33 -13.492 2.076 1.130 1.00 41.41 H new ATOM 0 HG SER A 33 -12.481 4.232 2.729 1.00 74.04 H new ATOM 480 N ARG A 34 -11.731 5.212 -1.199 1.00 51.24 N ATOM 481 CA ARG A 34 -11.603 6.598 -1.622 1.00 44.52 C ATOM 482 C ARG A 34 -12.763 6.985 -2.525 1.00 64.15 C ATOM 483 O ARG A 34 -13.329 6.138 -3.219 1.00 42.12 O ATOM 484 CB ARG A 34 -10.281 6.825 -2.364 1.00 64.33 C ATOM 485 CG ARG A 34 -9.992 8.294 -2.645 1.00 52.21 C ATOM 486 CD ARG A 34 -8.812 8.479 -3.585 1.00 73.41 C ATOM 487 NE ARG A 34 -8.480 9.893 -3.758 1.00 15.12 N ATOM 488 CZ ARG A 34 -8.243 10.478 -4.934 1.00 4.53 C ATOM 489 NH1 ARG A 34 -8.295 9.775 -6.059 1.00 31.31 N ATOM 490 NH2 ARG A 34 -7.964 11.772 -4.990 1.00 1.24 N ATOM 0 H ARG A 34 -11.730 4.534 -1.961 1.00 51.24 H new ATOM 0 HA ARG A 34 -11.616 7.222 -0.729 1.00 44.52 H new ATOM 0 HB2 ARG A 34 -9.465 6.408 -1.774 1.00 64.33 H new ATOM 0 HB3 ARG A 34 -10.304 6.279 -3.307 1.00 64.33 H new ATOM 0 HG2 ARG A 34 -10.877 8.760 -3.080 1.00 52.21 H new ATOM 0 HG3 ARG A 34 -9.790 8.809 -1.706 1.00 52.21 H new ATOM 0 HD2 ARG A 34 -7.946 7.946 -3.192 1.00 73.41 H new ATOM 0 HD3 ARG A 34 -9.045 8.038 -4.554 1.00 73.41 H new ATOM 0 HE ARG A 34 -8.426 10.473 -2.921 1.00 15.12 H new ATOM 0 HH11 ARG A 34 -8.517 8.780 -6.029 1.00 31.31 H new ATOM 0 HH12 ARG A 34 -8.113 10.230 -6.954 1.00 31.31 H new ATOM 0 HH21 ARG A 34 -7.930 12.324 -4.133 1.00 1.24 H new ATOM 0 HH22 ARG A 34 -7.783 12.216 -5.890 1.00 1.24 H new ATOM 504 N PHE A 35 -13.114 8.261 -2.509 1.00 24.10 N ATOM 505 CA PHE A 35 -14.159 8.773 -3.377 1.00 55.33 C ATOM 506 C PHE A 35 -13.596 9.114 -4.749 1.00 43.22 C ATOM 507 O PHE A 35 -12.510 9.686 -4.864 1.00 12.25 O ATOM 508 CB PHE A 35 -14.814 10.011 -2.767 1.00 33.24 C ATOM 509 CG PHE A 35 -15.508 9.749 -1.463 1.00 64.43 C ATOM 510 CD1 PHE A 35 -16.694 9.037 -1.429 1.00 31.24 C ATOM 511 CD2 PHE A 35 -14.977 10.220 -0.275 1.00 65.44 C ATOM 512 CE1 PHE A 35 -17.340 8.798 -0.230 1.00 3.01 C ATOM 513 CE2 PHE A 35 -15.615 9.985 0.926 1.00 13.44 C ATOM 514 CZ PHE A 35 -16.798 9.274 0.949 1.00 32.31 C ATOM 0 H PHE A 35 -12.688 8.962 -1.902 1.00 24.10 H new ATOM 0 HA PHE A 35 -14.914 7.994 -3.486 1.00 55.33 H new ATOM 0 HB2 PHE A 35 -14.052 10.776 -2.615 1.00 33.24 H new ATOM 0 HB3 PHE A 35 -15.535 10.416 -3.477 1.00 33.24 H new ATOM 0 HD1 PHE A 35 -17.120 8.664 -2.349 1.00 31.24 H new ATOM 0 HD2 PHE A 35 -14.052 10.778 -0.288 1.00 65.44 H new ATOM 0 HE1 PHE A 35 -18.265 8.241 -0.215 1.00 3.01 H new ATOM 0 HE2 PHE A 35 -15.189 10.357 1.846 1.00 13.44 H new ATOM 0 HZ PHE A 35 -17.300 9.090 1.888 1.00 32.31 H new ATOM 524 N PHE A 36 -14.335 8.744 -5.778 1.00 75.51 N ATOM 525 CA PHE A 36 -13.971 9.062 -7.150 1.00 73.24 C ATOM 526 C PHE A 36 -15.144 9.730 -7.846 1.00 51.45 C ATOM 527 O PHE A 36 -16.275 9.668 -7.354 1.00 65.13 O ATOM 528 CB PHE A 36 -13.553 7.798 -7.912 1.00 41.23 C ATOM 529 CG PHE A 36 -12.264 7.196 -7.431 1.00 25.11 C ATOM 530 CD1 PHE A 36 -11.056 7.592 -7.979 1.00 61.52 C ATOM 531 CD2 PHE A 36 -12.259 6.237 -6.431 1.00 72.54 C ATOM 532 CE1 PHE A 36 -9.867 7.044 -7.539 1.00 65.12 C ATOM 533 CE2 PHE A 36 -11.073 5.686 -5.986 1.00 62.43 C ATOM 534 CZ PHE A 36 -9.876 6.091 -6.541 1.00 40.33 C ATOM 0 H PHE A 36 -15.203 8.216 -5.689 1.00 75.51 H new ATOM 0 HA PHE A 36 -13.121 9.745 -7.137 1.00 73.24 H new ATOM 0 HB2 PHE A 36 -14.345 7.054 -7.824 1.00 41.23 H new ATOM 0 HB3 PHE A 36 -13.457 8.039 -8.971 1.00 41.23 H new ATOM 0 HD1 PHE A 36 -11.043 8.338 -8.760 1.00 61.52 H new ATOM 0 HD2 PHE A 36 -13.193 5.916 -5.994 1.00 72.54 H new ATOM 0 HE1 PHE A 36 -8.931 7.361 -7.975 1.00 65.12 H new ATOM 0 HE2 PHE A 36 -11.082 4.940 -5.205 1.00 62.43 H new ATOM 0 HZ PHE A 36 -8.947 5.662 -6.195 1.00 40.33 H new ATOM 544 N ALA A 37 -14.871 10.381 -8.968 1.00 61.31 N ATOM 545 CA ALA A 37 -15.910 11.044 -9.743 1.00 3.41 C ATOM 546 C ALA A 37 -16.955 10.043 -10.218 1.00 33.34 C ATOM 547 O ALA A 37 -18.141 10.182 -9.926 1.00 4.54 O ATOM 548 CB ALA A 37 -15.300 11.778 -10.931 1.00 15.22 C ATOM 0 H ALA A 37 -13.934 10.464 -9.363 1.00 61.31 H new ATOM 0 HA ALA A 37 -16.403 11.771 -9.098 1.00 3.41 H new ATOM 0 HB1 ALA A 37 -16.090 12.268 -11.500 1.00 15.22 H new ATOM 0 HB2 ALA A 37 -14.593 12.526 -10.572 1.00 15.22 H new ATOM 0 HB3 ALA A 37 -14.780 11.065 -11.571 1.00 15.22 H new ATOM 554 N THR A 38 -16.513 9.028 -10.941 1.00 3.55 N ATOM 555 CA THR A 38 -17.418 8.017 -11.452 1.00 73.52 C ATOM 556 C THR A 38 -16.998 6.628 -10.994 1.00 44.34 C ATOM 557 O THR A 38 -15.851 6.421 -10.592 1.00 1.31 O ATOM 558 CB THR A 38 -17.481 8.044 -12.992 1.00 72.12 C ATOM 559 OG1 THR A 38 -16.164 7.883 -13.542 1.00 23.31 O ATOM 560 CG2 THR A 38 -18.089 9.345 -13.490 1.00 11.54 C ATOM 0 H THR A 38 -15.534 8.884 -11.186 1.00 3.55 H new ATOM 0 HA THR A 38 -18.407 8.245 -11.054 1.00 73.52 H new ATOM 0 HB THR A 38 -18.114 7.219 -13.319 1.00 72.12 H new ATOM 0 HG1 THR A 38 -16.214 7.900 -14.521 1.00 23.31 H new ATOM 0 HG21 THR A 38 -18.122 9.338 -14.579 1.00 11.54 H new ATOM 0 HG22 THR A 38 -19.101 9.448 -13.097 1.00 11.54 H new ATOM 0 HG23 THR A 38 -17.481 10.184 -13.151 1.00 11.54 H new ATOM 568 N ARG A 39 -17.933 5.683 -11.043 1.00 40.20 N ATOM 569 CA ARG A 39 -17.637 4.293 -10.719 1.00 61.33 C ATOM 570 C ARG A 39 -16.565 3.752 -11.660 1.00 13.22 C ATOM 571 O ARG A 39 -15.744 2.918 -11.279 1.00 30.42 O ATOM 572 CB ARG A 39 -18.913 3.442 -10.791 1.00 21.44 C ATOM 573 CG ARG A 39 -18.650 1.953 -10.968 1.00 3.31 C ATOM 574 CD ARG A 39 -19.937 1.161 -11.074 1.00 1.33 C ATOM 575 NE ARG A 39 -19.687 -0.270 -11.228 1.00 74.23 N ATOM 576 CZ ARG A 39 -20.611 -1.210 -11.021 1.00 11.44 C ATOM 577 NH1 ARG A 39 -21.841 -0.866 -10.654 1.00 44.03 N ATOM 578 NH2 ARG A 39 -20.307 -2.495 -11.169 1.00 21.11 N ATOM 0 H ARG A 39 -18.904 5.856 -11.305 1.00 40.20 H new ATOM 0 HA ARG A 39 -17.256 4.242 -9.699 1.00 61.33 H new ATOM 0 HB2 ARG A 39 -19.491 3.593 -9.880 1.00 21.44 H new ATOM 0 HB3 ARG A 39 -19.527 3.794 -11.620 1.00 21.44 H new ATOM 0 HG2 ARG A 39 -18.051 1.794 -11.865 1.00 3.31 H new ATOM 0 HG3 ARG A 39 -18.065 1.585 -10.125 1.00 3.31 H new ATOM 0 HD2 ARG A 39 -20.541 1.330 -10.183 1.00 1.33 H new ATOM 0 HD3 ARG A 39 -20.516 1.522 -11.924 1.00 1.33 H new ATOM 0 HE ARG A 39 -18.753 -0.567 -11.510 1.00 74.23 H new ATOM 0 HH11 ARG A 39 -22.080 0.118 -10.530 1.00 44.03 H new ATOM 0 HH12 ARG A 39 -22.546 -1.586 -10.496 1.00 44.03 H new ATOM 0 HH21 ARG A 39 -19.363 -2.768 -11.442 1.00 21.11 H new ATOM 0 HH22 ARG A 39 -21.018 -3.209 -11.009 1.00 21.11 H new ATOM 592 N GLU A 40 -16.568 4.262 -12.883 1.00 60.11 N ATOM 593 CA GLU A 40 -15.561 3.908 -13.871 1.00 13.14 C ATOM 594 C GLU A 40 -14.170 4.257 -13.366 1.00 41.23 C ATOM 595 O GLU A 40 -13.266 3.422 -13.387 1.00 52.12 O ATOM 596 CB GLU A 40 -15.849 4.638 -15.174 1.00 54.24 C ATOM 597 CG GLU A 40 -17.128 4.173 -15.839 1.00 5.15 C ATOM 598 CD GLU A 40 -17.481 4.976 -17.071 1.00 70.12 C ATOM 599 OE1 GLU A 40 -16.744 4.896 -18.074 1.00 72.13 O ATOM 600 OE2 GLU A 40 -18.504 5.686 -17.044 1.00 31.44 O ATOM 0 H GLU A 40 -17.264 4.929 -13.216 1.00 60.11 H new ATOM 0 HA GLU A 40 -15.598 2.833 -14.046 1.00 13.14 H new ATOM 0 HB2 GLU A 40 -15.915 5.708 -14.978 1.00 54.24 H new ATOM 0 HB3 GLU A 40 -15.014 4.491 -15.860 1.00 54.24 H new ATOM 0 HG2 GLU A 40 -17.027 3.123 -16.113 1.00 5.15 H new ATOM 0 HG3 GLU A 40 -17.947 4.238 -15.123 1.00 5.15 H new ATOM 607 N GLU A 41 -14.017 5.493 -12.906 1.00 11.22 N ATOM 608 CA GLU A 41 -12.770 5.956 -12.299 1.00 42.52 C ATOM 609 C GLU A 41 -12.348 5.039 -11.157 1.00 72.32 C ATOM 610 O GLU A 41 -11.161 4.794 -10.943 1.00 64.35 O ATOM 611 CB GLU A 41 -12.940 7.382 -11.770 1.00 10.54 C ATOM 612 CG GLU A 41 -13.042 8.425 -12.866 1.00 54.25 C ATOM 613 CD GLU A 41 -11.746 8.579 -13.633 1.00 24.21 C ATOM 614 OE1 GLU A 41 -11.555 7.867 -14.638 1.00 22.43 O ATOM 615 OE2 GLU A 41 -10.907 9.410 -13.233 1.00 2.44 O ATOM 0 H GLU A 41 -14.749 6.202 -12.942 1.00 11.22 H new ATOM 0 HA GLU A 41 -11.995 5.941 -13.066 1.00 42.52 H new ATOM 0 HB2 GLU A 41 -13.836 7.427 -11.152 1.00 10.54 H new ATOM 0 HB3 GLU A 41 -12.095 7.625 -11.125 1.00 10.54 H new ATOM 0 HG2 GLU A 41 -13.839 8.148 -13.556 1.00 54.25 H new ATOM 0 HG3 GLU A 41 -13.319 9.384 -12.428 1.00 54.25 H new ATOM 622 N ALA A 42 -13.334 4.518 -10.445 1.00 74.11 N ATOM 623 CA ALA A 42 -13.080 3.674 -9.290 1.00 33.43 C ATOM 624 C ALA A 42 -12.491 2.332 -9.713 1.00 32.25 C ATOM 625 O ALA A 42 -11.433 1.927 -9.228 1.00 4.55 O ATOM 626 CB ALA A 42 -14.361 3.473 -8.495 1.00 34.34 C ATOM 0 H ALA A 42 -14.322 4.666 -10.649 1.00 74.11 H new ATOM 0 HA ALA A 42 -12.349 4.173 -8.654 1.00 33.43 H new ATOM 0 HB1 ALA A 42 -14.158 2.839 -7.632 1.00 34.34 H new ATOM 0 HB2 ALA A 42 -14.734 4.439 -8.156 1.00 34.34 H new ATOM 0 HB3 ALA A 42 -15.110 2.997 -9.127 1.00 34.34 H new ATOM 632 N GLU A 43 -13.166 1.656 -10.636 1.00 2.34 N ATOM 633 CA GLU A 43 -12.716 0.352 -11.113 1.00 1.14 C ATOM 634 C GLU A 43 -11.409 0.470 -11.890 1.00 22.21 C ATOM 635 O GLU A 43 -10.574 -0.435 -11.860 1.00 15.01 O ATOM 636 CB GLU A 43 -13.790 -0.297 -11.987 1.00 3.54 C ATOM 637 CG GLU A 43 -15.075 -0.599 -11.234 1.00 14.22 C ATOM 638 CD GLU A 43 -16.082 -1.367 -12.063 1.00 44.15 C ATOM 639 OE1 GLU A 43 -15.826 -2.548 -12.372 1.00 62.40 O ATOM 640 OE2 GLU A 43 -17.150 -0.801 -12.388 1.00 34.01 O ATOM 0 H GLU A 43 -14.027 1.989 -11.069 1.00 2.34 H new ATOM 0 HA GLU A 43 -12.539 -0.279 -10.242 1.00 1.14 H new ATOM 0 HB2 GLU A 43 -14.014 0.363 -12.825 1.00 3.54 H new ATOM 0 HB3 GLU A 43 -13.397 -1.223 -12.407 1.00 3.54 H new ATOM 0 HG2 GLU A 43 -14.838 -1.173 -10.338 1.00 14.22 H new ATOM 0 HG3 GLU A 43 -15.524 0.338 -10.903 1.00 14.22 H new ATOM 647 N SER A 44 -11.225 1.597 -12.567 1.00 44.35 N ATOM 648 CA SER A 44 -10.014 1.834 -13.342 1.00 21.50 C ATOM 649 C SER A 44 -8.802 1.984 -12.429 1.00 31.21 C ATOM 650 O SER A 44 -7.677 1.651 -12.813 1.00 31.22 O ATOM 651 CB SER A 44 -10.181 3.077 -14.214 1.00 72.21 C ATOM 652 OG SER A 44 -11.298 2.939 -15.076 1.00 54.23 O ATOM 0 H SER A 44 -11.900 2.361 -12.595 1.00 44.35 H new ATOM 0 HA SER A 44 -9.846 0.971 -13.987 1.00 21.50 H new ATOM 0 HB2 SER A 44 -10.310 3.956 -13.582 1.00 72.21 H new ATOM 0 HB3 SER A 44 -9.278 3.238 -14.803 1.00 72.21 H new ATOM 0 HG SER A 44 -12.085 3.349 -14.660 1.00 54.23 H new ATOM 658 N PHE A 45 -9.035 2.464 -11.213 1.00 52.13 N ATOM 659 CA PHE A 45 -7.963 2.640 -10.248 1.00 45.43 C ATOM 660 C PHE A 45 -7.508 1.283 -9.730 1.00 51.42 C ATOM 661 O PHE A 45 -6.323 1.062 -9.484 1.00 22.41 O ATOM 662 CB PHE A 45 -8.436 3.529 -9.093 1.00 23.31 C ATOM 663 CG PHE A 45 -7.379 3.806 -8.056 1.00 53.02 C ATOM 664 CD1 PHE A 45 -6.348 4.695 -8.319 1.00 65.14 C ATOM 665 CD2 PHE A 45 -7.426 3.186 -6.817 1.00 0.04 C ATOM 666 CE1 PHE A 45 -5.382 4.958 -7.365 1.00 53.23 C ATOM 667 CE2 PHE A 45 -6.464 3.447 -5.861 1.00 64.44 C ATOM 668 CZ PHE A 45 -5.442 4.334 -6.135 1.00 4.33 C ATOM 0 H PHE A 45 -9.958 2.737 -10.874 1.00 52.13 H new ATOM 0 HA PHE A 45 -7.118 3.129 -10.734 1.00 45.43 H new ATOM 0 HB2 PHE A 45 -8.788 4.477 -9.499 1.00 23.31 H new ATOM 0 HB3 PHE A 45 -9.289 3.053 -8.609 1.00 23.31 H new ATOM 0 HD1 PHE A 45 -6.299 5.187 -9.279 1.00 65.14 H new ATOM 0 HD2 PHE A 45 -8.223 2.492 -6.597 1.00 0.04 H new ATOM 0 HE1 PHE A 45 -4.582 5.650 -7.582 1.00 53.23 H new ATOM 0 HE2 PHE A 45 -6.511 2.957 -4.899 1.00 64.44 H new ATOM 0 HZ PHE A 45 -4.690 4.540 -5.388 1.00 4.33 H new ATOM 678 N MET A 46 -8.459 0.370 -9.599 1.00 24.23 N ATOM 679 CA MET A 46 -8.184 -0.968 -9.096 1.00 44.22 C ATOM 680 C MET A 46 -7.243 -1.732 -10.025 1.00 0.31 C ATOM 681 O MET A 46 -6.335 -2.420 -9.565 1.00 22.44 O ATOM 682 CB MET A 46 -9.498 -1.737 -8.927 1.00 41.51 C ATOM 683 CG MET A 46 -9.325 -3.188 -8.507 1.00 75.13 C ATOM 684 SD MET A 46 -8.351 -3.367 -6.999 1.00 60.05 S ATOM 685 CE MET A 46 -9.308 -2.376 -5.857 1.00 61.21 C ATOM 0 H MET A 46 -9.437 0.534 -9.837 1.00 24.23 H new ATOM 0 HA MET A 46 -7.690 -0.873 -8.129 1.00 44.22 H new ATOM 0 HB2 MET A 46 -10.111 -1.227 -8.184 1.00 41.51 H new ATOM 0 HB3 MET A 46 -10.047 -1.707 -9.868 1.00 41.51 H new ATOM 0 HG2 MET A 46 -10.306 -3.637 -8.356 1.00 75.13 H new ATOM 0 HG3 MET A 46 -8.843 -3.740 -9.314 1.00 75.13 H new ATOM 0 HE1 MET A 46 -9.342 -2.871 -4.886 1.00 61.21 H new ATOM 0 HE2 MET A 46 -8.844 -1.396 -5.748 1.00 61.21 H new ATOM 0 HE3 MET A 46 -10.322 -2.257 -6.240 1.00 61.21 H new ATOM 695 N THR A 47 -7.448 -1.577 -11.328 1.00 44.20 N ATOM 696 CA THR A 47 -6.715 -2.343 -12.332 1.00 20.12 C ATOM 697 C THR A 47 -5.198 -2.259 -12.139 1.00 0.31 C ATOM 698 O THR A 47 -4.517 -3.285 -12.088 1.00 23.01 O ATOM 699 CB THR A 47 -7.080 -1.854 -13.745 1.00 14.15 C ATOM 700 OG1 THR A 47 -8.509 -1.773 -13.872 1.00 2.34 O ATOM 701 CG2 THR A 47 -6.528 -2.791 -14.811 1.00 14.35 C ATOM 0 H THR A 47 -8.124 -0.920 -11.718 1.00 44.20 H new ATOM 0 HA THR A 47 -7.007 -3.386 -12.211 1.00 20.12 H new ATOM 0 HB THR A 47 -6.636 -0.869 -13.891 1.00 14.15 H new ATOM 0 HG1 THR A 47 -8.740 -1.460 -14.771 1.00 2.34 H new ATOM 0 HG21 THR A 47 -6.802 -2.420 -15.799 1.00 14.35 H new ATOM 0 HG22 THR A 47 -5.442 -2.836 -14.729 1.00 14.35 H new ATOM 0 HG23 THR A 47 -6.945 -3.788 -14.670 1.00 14.35 H new ATOM 709 N LYS A 48 -4.669 -1.047 -12.010 1.00 21.13 N ATOM 710 CA LYS A 48 -3.229 -0.866 -11.864 1.00 71.13 C ATOM 711 C LYS A 48 -2.750 -1.334 -10.490 1.00 50.12 C ATOM 712 O LYS A 48 -1.608 -1.774 -10.339 1.00 1.22 O ATOM 713 CB LYS A 48 -2.829 0.587 -12.113 1.00 32.11 C ATOM 714 CG LYS A 48 -3.494 1.577 -11.183 1.00 42.23 C ATOM 715 CD LYS A 48 -3.059 2.997 -11.483 1.00 23.42 C ATOM 716 CE LYS A 48 -1.556 3.182 -11.317 1.00 32.05 C ATOM 717 NZ LYS A 48 -1.143 4.590 -11.555 1.00 65.03 N ATOM 0 H LYS A 48 -5.210 -0.182 -12.003 1.00 21.13 H new ATOM 0 HA LYS A 48 -2.741 -1.484 -12.618 1.00 71.13 H new ATOM 0 HB2 LYS A 48 -1.748 0.678 -12.010 1.00 32.11 H new ATOM 0 HB3 LYS A 48 -3.075 0.849 -13.142 1.00 32.11 H new ATOM 0 HG2 LYS A 48 -4.577 1.499 -11.280 1.00 42.23 H new ATOM 0 HG3 LYS A 48 -3.248 1.330 -10.150 1.00 42.23 H new ATOM 0 HD2 LYS A 48 -3.345 3.256 -12.502 1.00 23.42 H new ATOM 0 HD3 LYS A 48 -3.584 3.685 -10.820 1.00 23.42 H new ATOM 0 HE2 LYS A 48 -1.262 2.882 -10.311 1.00 32.05 H new ATOM 0 HE3 LYS A 48 -1.030 2.527 -12.012 1.00 32.05 H new ATOM 0 HZ1 LYS A 48 -0.114 4.675 -11.433 1.00 65.03 H new ATOM 0 HZ2 LYS A 48 -1.401 4.868 -12.523 1.00 65.03 H new ATOM 0 HZ3 LYS A 48 -1.625 5.213 -10.876 1.00 65.03 H new ATOM 731 N LEU A 49 -3.628 -1.258 -9.497 1.00 63.33 N ATOM 732 CA LEU A 49 -3.295 -1.685 -8.142 1.00 45.31 C ATOM 733 C LEU A 49 -3.173 -3.203 -8.061 1.00 24.22 C ATOM 734 O LEU A 49 -2.333 -3.721 -7.330 1.00 12.12 O ATOM 735 CB LEU A 49 -4.343 -1.185 -7.144 1.00 31.32 C ATOM 736 CG LEU A 49 -4.043 0.169 -6.490 1.00 71.30 C ATOM 737 CD1 LEU A 49 -2.820 0.067 -5.596 1.00 64.43 C ATOM 738 CD2 LEU A 49 -3.837 1.251 -7.539 1.00 50.24 C ATOM 0 H LEU A 49 -4.578 -0.904 -9.604 1.00 63.33 H new ATOM 0 HA LEU A 49 -2.330 -1.249 -7.883 1.00 45.31 H new ATOM 0 HB2 LEU A 49 -5.303 -1.116 -7.656 1.00 31.32 H new ATOM 0 HB3 LEU A 49 -4.455 -1.931 -6.357 1.00 31.32 H new ATOM 0 HG LEU A 49 -4.904 0.445 -5.881 1.00 71.30 H new ATOM 0 HD11 LEU A 49 -2.621 1.037 -5.140 1.00 64.43 H new ATOM 0 HD12 LEU A 49 -3.001 -0.671 -4.815 1.00 64.43 H new ATOM 0 HD13 LEU A 49 -1.959 -0.238 -6.191 1.00 64.43 H new ATOM 0 HD21 LEU A 49 -3.626 2.200 -7.046 1.00 50.24 H new ATOM 0 HD22 LEU A 49 -2.998 0.981 -8.180 1.00 50.24 H new ATOM 0 HD23 LEU A 49 -4.739 1.349 -8.143 1.00 50.24 H new ATOM 750 N LYS A 50 -4.014 -3.908 -8.812 1.00 45.00 N ATOM 751 CA LYS A 50 -3.958 -5.367 -8.880 1.00 11.21 C ATOM 752 C LYS A 50 -2.569 -5.830 -9.303 1.00 41.33 C ATOM 753 O LYS A 50 -1.970 -6.701 -8.667 1.00 25.40 O ATOM 754 CB LYS A 50 -5.001 -5.880 -9.871 1.00 51.21 C ATOM 755 CG LYS A 50 -6.404 -5.424 -9.537 1.00 75.33 C ATOM 756 CD LYS A 50 -7.346 -5.621 -10.704 1.00 70.41 C ATOM 757 CE LYS A 50 -7.926 -7.024 -10.736 1.00 1.33 C ATOM 758 NZ LYS A 50 -8.875 -7.204 -11.865 1.00 4.15 N ATOM 0 H LYS A 50 -4.747 -3.491 -9.386 1.00 45.00 H new ATOM 0 HA LYS A 50 -4.172 -5.770 -7.890 1.00 11.21 H new ATOM 0 HB2 LYS A 50 -4.742 -5.538 -10.873 1.00 51.21 H new ATOM 0 HB3 LYS A 50 -4.973 -6.969 -9.889 1.00 51.21 H new ATOM 0 HG2 LYS A 50 -6.772 -5.979 -8.674 1.00 75.33 H new ATOM 0 HG3 LYS A 50 -6.388 -4.371 -9.255 1.00 75.33 H new ATOM 0 HD2 LYS A 50 -8.157 -4.895 -10.642 1.00 70.41 H new ATOM 0 HD3 LYS A 50 -6.815 -5.427 -11.636 1.00 70.41 H new ATOM 0 HE2 LYS A 50 -7.117 -7.750 -10.822 1.00 1.33 H new ATOM 0 HE3 LYS A 50 -8.438 -7.227 -9.795 1.00 1.33 H new ATOM 0 HZ1 LYS A 50 -9.249 -8.174 -11.853 1.00 4.15 H new ATOM 0 HZ2 LYS A 50 -9.660 -6.529 -11.770 1.00 4.15 H new ATOM 0 HZ3 LYS A 50 -8.381 -7.035 -12.764 1.00 4.15 H new ATOM 772 N GLU A 51 -2.062 -5.221 -10.369 1.00 4.14 N ATOM 773 CA GLU A 51 -0.728 -5.532 -10.878 1.00 24.30 C ATOM 774 C GLU A 51 0.328 -5.304 -9.800 1.00 45.13 C ATOM 775 O GLU A 51 1.261 -6.095 -9.645 1.00 55.14 O ATOM 776 CB GLU A 51 -0.399 -4.653 -12.084 1.00 3.32 C ATOM 777 CG GLU A 51 -1.462 -4.654 -13.167 1.00 21.42 C ATOM 778 CD GLU A 51 -1.054 -3.825 -14.365 1.00 72.13 C ATOM 779 OE1 GLU A 51 -0.867 -2.599 -14.210 1.00 4.21 O ATOM 780 OE2 GLU A 51 -0.894 -4.401 -15.463 1.00 71.11 O ATOM 0 H GLU A 51 -2.557 -4.505 -10.901 1.00 4.14 H new ATOM 0 HA GLU A 51 -0.722 -6.581 -11.175 1.00 24.30 H new ATOM 0 HB2 GLU A 51 -0.247 -3.629 -11.742 1.00 3.32 H new ATOM 0 HB3 GLU A 51 0.544 -4.988 -12.516 1.00 3.32 H new ATOM 0 HG2 GLU A 51 -1.655 -5.679 -13.484 1.00 21.42 H new ATOM 0 HG3 GLU A 51 -2.395 -4.266 -12.759 1.00 21.42 H new ATOM 787 N LEU A 52 0.170 -4.214 -9.062 1.00 22.11 N ATOM 788 CA LEU A 52 1.113 -3.849 -8.016 1.00 74.04 C ATOM 789 C LEU A 52 1.039 -4.834 -6.854 1.00 33.14 C ATOM 790 O LEU A 52 2.064 -5.266 -6.335 1.00 50.42 O ATOM 791 CB LEU A 52 0.832 -2.423 -7.530 1.00 73.12 C ATOM 792 CG LEU A 52 1.029 -1.334 -8.584 1.00 13.52 C ATOM 793 CD1 LEU A 52 0.574 0.014 -8.054 1.00 3.41 C ATOM 794 CD2 LEU A 52 2.486 -1.273 -9.010 1.00 53.44 C ATOM 0 H LEU A 52 -0.608 -3.564 -9.170 1.00 22.11 H new ATOM 0 HA LEU A 52 2.121 -3.888 -8.428 1.00 74.04 H new ATOM 0 HB2 LEU A 52 -0.194 -2.374 -7.166 1.00 73.12 H new ATOM 0 HB3 LEU A 52 1.482 -2.209 -6.682 1.00 73.12 H new ATOM 0 HG LEU A 52 0.421 -1.581 -9.454 1.00 13.52 H new ATOM 0 HD11 LEU A 52 0.723 0.775 -8.820 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -0.483 -0.036 -7.792 1.00 3.41 H new ATOM 0 HD13 LEU A 52 1.155 0.272 -7.169 1.00 3.41 H new ATOM 0 HD21 LEU A 52 2.613 -0.493 -9.761 1.00 53.44 H new ATOM 0 HD22 LEU A 52 3.109 -1.048 -8.144 1.00 53.44 H new ATOM 0 HD23 LEU A 52 2.783 -2.234 -9.431 1.00 53.44 H new ATOM 806 N ALA A 53 -0.179 -5.201 -6.466 1.00 44.22 N ATOM 807 CA ALA A 53 -0.387 -6.135 -5.364 1.00 22.54 C ATOM 808 C ALA A 53 0.188 -7.508 -5.690 1.00 31.32 C ATOM 809 O ALA A 53 0.813 -8.146 -4.844 1.00 62.31 O ATOM 810 CB ALA A 53 -1.868 -6.246 -5.035 1.00 13.10 C ATOM 0 H ALA A 53 -1.039 -4.865 -6.900 1.00 44.22 H new ATOM 0 HA ALA A 53 0.139 -5.748 -4.491 1.00 22.54 H new ATOM 0 HB1 ALA A 53 -2.006 -6.946 -4.211 1.00 13.10 H new ATOM 0 HB2 ALA A 53 -2.251 -5.267 -4.747 1.00 13.10 H new ATOM 0 HB3 ALA A 53 -2.409 -6.604 -5.911 1.00 13.10 H new ATOM 816 N ALA A 54 -0.012 -7.947 -6.928 1.00 63.01 N ATOM 817 CA ALA A 54 0.485 -9.241 -7.375 1.00 70.10 C ATOM 818 C ALA A 54 2.009 -9.307 -7.307 1.00 74.44 C ATOM 819 O ALA A 54 2.580 -10.353 -7.002 1.00 41.44 O ATOM 820 CB ALA A 54 0.010 -9.524 -8.792 1.00 11.30 C ATOM 0 H ALA A 54 -0.517 -7.422 -7.642 1.00 63.01 H new ATOM 0 HA ALA A 54 0.087 -10.003 -6.705 1.00 70.10 H new ATOM 0 HB1 ALA A 54 0.388 -10.494 -9.115 1.00 11.30 H new ATOM 0 HB2 ALA A 54 -1.080 -9.533 -8.816 1.00 11.30 H new ATOM 0 HB3 ALA A 54 0.381 -8.748 -9.462 1.00 11.30 H new ATOM 826 N ALA A 55 2.662 -8.188 -7.592 1.00 22.21 N ATOM 827 CA ALA A 55 4.117 -8.135 -7.581 1.00 52.13 C ATOM 828 C ALA A 55 4.652 -7.862 -6.178 1.00 72.31 C ATOM 829 O ALA A 55 5.753 -8.286 -5.831 1.00 71.32 O ATOM 830 CB ALA A 55 4.605 -7.075 -8.547 1.00 72.32 C ATOM 0 H ALA A 55 2.208 -7.307 -7.833 1.00 22.21 H new ATOM 0 HA ALA A 55 4.494 -9.107 -7.897 1.00 52.13 H new ATOM 0 HB1 ALA A 55 5.694 -7.043 -8.532 1.00 72.32 H new ATOM 0 HB2 ALA A 55 4.263 -7.315 -9.554 1.00 72.32 H new ATOM 0 HB3 ALA A 55 4.209 -6.103 -8.251 1.00 72.32 H new ATOM 836 N ALA A 56 3.874 -7.146 -5.380 1.00 74.03 N ATOM 837 CA ALA A 56 4.272 -6.815 -4.018 1.00 55.12 C ATOM 838 C ALA A 56 4.225 -8.047 -3.126 1.00 5.54 C ATOM 839 O ALA A 56 5.075 -8.225 -2.258 1.00 72.15 O ATOM 840 CB ALA A 56 3.378 -5.722 -3.457 1.00 71.12 C ATOM 0 H ALA A 56 2.961 -6.782 -5.652 1.00 74.03 H new ATOM 0 HA ALA A 56 5.299 -6.450 -4.042 1.00 55.12 H new ATOM 0 HB1 ALA A 56 3.688 -5.486 -2.439 1.00 71.12 H new ATOM 0 HB2 ALA A 56 3.461 -4.830 -4.078 1.00 71.12 H new ATOM 0 HB3 ALA A 56 2.344 -6.065 -3.451 1.00 71.12 H new ATOM 846 N SER A 57 3.236 -8.896 -3.353 1.00 73.30 N ATOM 847 CA SER A 57 3.082 -10.109 -2.569 1.00 61.03 C ATOM 848 C SER A 57 3.925 -11.235 -3.159 1.00 25.11 C ATOM 849 O SER A 57 3.682 -11.685 -4.282 1.00 24.01 O ATOM 850 CB SER A 57 1.609 -10.519 -2.514 1.00 3.04 C ATOM 851 OG SER A 57 1.415 -11.662 -1.695 1.00 50.14 O ATOM 0 H SER A 57 2.527 -8.767 -4.075 1.00 73.30 H new ATOM 0 HA SER A 57 3.428 -9.914 -1.554 1.00 61.03 H new ATOM 0 HB2 SER A 57 1.014 -9.690 -2.130 1.00 3.04 H new ATOM 0 HB3 SER A 57 1.251 -10.728 -3.522 1.00 3.04 H new ATOM 0 HG SER A 57 0.732 -12.239 -2.095 1.00 50.14 H new ATOM 857 N SER A 58 4.914 -11.686 -2.400 1.00 43.25 N ATOM 858 CA SER A 58 5.798 -12.766 -2.829 1.00 10.21 C ATOM 859 C SER A 58 5.141 -14.134 -2.638 1.00 71.30 C ATOM 860 O SER A 58 5.815 -15.163 -2.601 1.00 44.21 O ATOM 861 CB SER A 58 7.096 -12.705 -2.035 1.00 4.31 C ATOM 862 OG SER A 58 7.623 -11.388 -2.030 1.00 1.35 O ATOM 0 H SER A 58 5.127 -11.317 -1.473 1.00 43.25 H new ATOM 0 HA SER A 58 6.004 -12.636 -3.891 1.00 10.21 H new ATOM 0 HB2 SER A 58 6.917 -13.034 -1.011 1.00 4.31 H new ATOM 0 HB3 SER A 58 7.824 -13.391 -2.467 1.00 4.31 H new ATOM 0 HG SER A 58 7.338 -10.925 -1.215 1.00 1.35 H new ATOM 868 N ALA A 59 3.824 -14.135 -2.533 1.00 40.21 N ATOM 869 CA ALA A 59 3.064 -15.360 -2.316 1.00 20.34 C ATOM 870 C ALA A 59 2.759 -16.074 -3.631 1.00 2.15 C ATOM 871 O ALA A 59 1.942 -16.998 -3.665 1.00 32.03 O ATOM 872 CB ALA A 59 1.774 -15.048 -1.576 1.00 42.42 C ATOM 0 H ALA A 59 3.251 -13.293 -2.595 1.00 40.21 H new ATOM 0 HA ALA A 59 3.675 -16.029 -1.710 1.00 20.34 H new ATOM 0 HB1 ALA A 59 1.213 -15.969 -1.418 1.00 42.42 H new ATOM 0 HB2 ALA A 59 2.008 -14.596 -0.612 1.00 42.42 H new ATOM 0 HB3 ALA A 59 1.175 -14.355 -2.166 1.00 42.42 H new ATOM 878 N ASP A 60 3.417 -15.627 -4.706 1.00 24.33 N ATOM 879 CA ASP A 60 3.283 -16.220 -6.047 1.00 2.22 C ATOM 880 C ASP A 60 1.942 -15.865 -6.683 1.00 4.50 C ATOM 881 O ASP A 60 1.889 -15.318 -7.784 1.00 32.55 O ATOM 882 CB ASP A 60 3.444 -17.748 -6.018 1.00 73.23 C ATOM 883 CG ASP A 60 4.826 -18.199 -5.595 1.00 41.54 C ATOM 884 OD1 ASP A 60 5.743 -18.199 -6.442 1.00 55.24 O ATOM 885 OD2 ASP A 60 4.997 -18.583 -4.418 1.00 65.23 O ATOM 0 H ASP A 60 4.063 -14.838 -4.673 1.00 24.33 H new ATOM 0 HA ASP A 60 4.087 -15.798 -6.650 1.00 2.22 H new ATOM 0 HB2 ASP A 60 2.707 -18.171 -5.335 1.00 73.23 H new ATOM 0 HB3 ASP A 60 3.227 -18.148 -7.009 1.00 73.23 H new ATOM 890 N GLU A 61 0.867 -16.165 -5.975 1.00 5.12 N ATOM 891 CA GLU A 61 -0.483 -15.982 -6.488 1.00 52.03 C ATOM 892 C GLU A 61 -1.010 -14.588 -6.139 1.00 13.40 C ATOM 893 O GLU A 61 -2.218 -14.382 -5.991 1.00 52.42 O ATOM 894 CB GLU A 61 -1.388 -17.061 -5.894 1.00 25.35 C ATOM 895 CG GLU A 61 -2.691 -17.266 -6.645 1.00 73.01 C ATOM 896 CD GLU A 61 -3.528 -18.360 -6.030 1.00 33.21 C ATOM 897 OE1 GLU A 61 -3.191 -19.548 -6.221 1.00 22.45 O ATOM 898 OE2 GLU A 61 -4.518 -18.041 -5.340 1.00 54.34 O ATOM 0 H GLU A 61 0.904 -16.542 -5.028 1.00 5.12 H new ATOM 0 HA GLU A 61 -0.473 -16.071 -7.574 1.00 52.03 H new ATOM 0 HB2 GLU A 61 -0.843 -18.004 -5.872 1.00 25.35 H new ATOM 0 HB3 GLU A 61 -1.615 -16.800 -4.860 1.00 25.35 H new ATOM 0 HG2 GLU A 61 -3.258 -16.335 -6.650 1.00 73.01 H new ATOM 0 HG3 GLU A 61 -2.476 -17.514 -7.684 1.00 73.01 H new ATOM 905 N GLY A 62 -0.099 -13.633 -6.021 1.00 53.44 N ATOM 906 CA GLY A 62 -0.480 -12.276 -5.688 1.00 21.13 C ATOM 907 C GLY A 62 -1.054 -12.173 -4.291 1.00 43.40 C ATOM 908 O GLY A 62 -0.493 -12.727 -3.342 1.00 11.34 O ATOM 0 H GLY A 62 0.903 -13.775 -6.151 1.00 53.44 H new ATOM 0 HA2 GLY A 62 0.390 -11.625 -5.771 1.00 21.13 H new ATOM 0 HA3 GLY A 62 -1.215 -11.919 -6.409 1.00 21.13 H new ATOM 912 N ALA A 63 -2.175 -11.483 -4.165 1.00 24.11 N ATOM 913 CA ALA A 63 -2.817 -11.297 -2.875 1.00 32.41 C ATOM 914 C ALA A 63 -4.330 -11.421 -2.999 1.00 62.45 C ATOM 915 O ALA A 63 -4.860 -11.631 -4.093 1.00 2.44 O ATOM 916 CB ALA A 63 -2.444 -9.940 -2.295 1.00 21.12 C ATOM 0 H ALA A 63 -2.661 -11.040 -4.945 1.00 24.11 H new ATOM 0 HA ALA A 63 -2.466 -12.078 -2.201 1.00 32.41 H new ATOM 0 HB1 ALA A 63 -2.931 -9.811 -1.328 1.00 21.12 H new ATOM 0 HB2 ALA A 63 -1.363 -9.884 -2.167 1.00 21.12 H new ATOM 0 HB3 ALA A 63 -2.771 -9.152 -2.974 1.00 21.12 H new ATOM 922 N SER A 64 -5.021 -11.305 -1.876 1.00 51.02 N ATOM 923 CA SER A 64 -6.471 -11.322 -1.869 1.00 2.32 C ATOM 924 C SER A 64 -6.992 -9.904 -2.051 1.00 44.42 C ATOM 925 O SER A 64 -6.655 -9.012 -1.276 1.00 1.33 O ATOM 926 CB SER A 64 -6.980 -11.908 -0.555 1.00 31.23 C ATOM 927 OG SER A 64 -6.348 -13.149 -0.275 1.00 1.20 O ATOM 0 H SER A 64 -4.596 -11.198 -0.955 1.00 51.02 H new ATOM 0 HA SER A 64 -6.831 -11.944 -2.688 1.00 2.32 H new ATOM 0 HB2 SER A 64 -6.790 -11.207 0.258 1.00 31.23 H new ATOM 0 HB3 SER A 64 -8.059 -12.049 -0.609 1.00 31.23 H new ATOM 0 HG SER A 64 -6.688 -13.505 0.572 1.00 1.20 H new ATOM 933 N VAL A 65 -7.790 -9.693 -3.080 1.00 33.30 N ATOM 934 CA VAL A 65 -8.308 -8.370 -3.367 1.00 4.20 C ATOM 935 C VAL A 65 -9.807 -8.413 -3.648 1.00 23.11 C ATOM 936 O VAL A 65 -10.264 -9.044 -4.601 1.00 51.10 O ATOM 937 CB VAL A 65 -7.552 -7.707 -4.549 1.00 73.23 C ATOM 938 CG1 VAL A 65 -7.542 -8.606 -5.780 1.00 64.34 C ATOM 939 CG2 VAL A 65 -8.151 -6.346 -4.878 1.00 74.22 C ATOM 0 H VAL A 65 -8.093 -10.419 -3.729 1.00 33.30 H new ATOM 0 HA VAL A 65 -8.144 -7.760 -2.479 1.00 4.20 H new ATOM 0 HB VAL A 65 -6.517 -7.561 -4.239 1.00 73.23 H new ATOM 0 HG11 VAL A 65 -7.004 -8.110 -6.588 1.00 64.34 H new ATOM 0 HG12 VAL A 65 -7.048 -9.547 -5.539 1.00 64.34 H new ATOM 0 HG13 VAL A 65 -8.567 -8.804 -6.094 1.00 64.34 H new ATOM 0 HG21 VAL A 65 -7.605 -5.900 -5.709 1.00 74.22 H new ATOM 0 HG22 VAL A 65 -9.198 -6.467 -5.154 1.00 74.22 H new ATOM 0 HG23 VAL A 65 -8.078 -5.696 -4.006 1.00 74.22 H new ATOM 949 N ALA A 66 -10.567 -7.757 -2.790 1.00 4.42 N ATOM 950 CA ALA A 66 -12.003 -7.643 -2.970 1.00 63.44 C ATOM 951 C ALA A 66 -12.399 -6.177 -2.974 1.00 32.45 C ATOM 952 O ALA A 66 -12.111 -5.448 -2.022 1.00 40.30 O ATOM 953 CB ALA A 66 -12.740 -8.394 -1.869 1.00 53.40 C ATOM 0 H ALA A 66 -10.210 -7.292 -1.955 1.00 4.42 H new ATOM 0 HA ALA A 66 -12.280 -8.089 -3.926 1.00 63.44 H new ATOM 0 HB1 ALA A 66 -13.815 -8.298 -2.020 1.00 53.40 H new ATOM 0 HB2 ALA A 66 -12.462 -9.448 -1.899 1.00 53.40 H new ATOM 0 HB3 ALA A 66 -12.471 -7.975 -0.900 1.00 53.40 H new ATOM 959 N TYR A 67 -13.039 -5.734 -4.043 1.00 74.35 N ATOM 960 CA TYR A 67 -13.412 -4.335 -4.155 1.00 51.13 C ATOM 961 C TYR A 67 -14.919 -4.181 -4.303 1.00 53.43 C ATOM 962 O TYR A 67 -15.571 -4.932 -5.035 1.00 13.12 O ATOM 963 CB TYR A 67 -12.675 -3.654 -5.323 1.00 31.11 C ATOM 964 CG TYR A 67 -13.227 -3.960 -6.705 1.00 71.03 C ATOM 965 CD1 TYR A 67 -12.931 -5.152 -7.355 1.00 4.24 C ATOM 966 CD2 TYR A 67 -14.042 -3.044 -7.359 1.00 54.14 C ATOM 967 CE1 TYR A 67 -13.431 -5.419 -8.618 1.00 62.45 C ATOM 968 CE2 TYR A 67 -14.544 -3.304 -8.620 1.00 34.35 C ATOM 969 CZ TYR A 67 -14.239 -4.492 -9.245 1.00 24.12 C ATOM 970 OH TYR A 67 -14.740 -4.751 -10.504 1.00 73.42 O ATOM 0 H TYR A 67 -13.308 -6.315 -4.837 1.00 74.35 H new ATOM 0 HA TYR A 67 -13.110 -3.838 -3.233 1.00 51.13 H new ATOM 0 HB2 TYR A 67 -12.703 -2.575 -5.169 1.00 31.11 H new ATOM 0 HB3 TYR A 67 -11.627 -3.953 -5.294 1.00 31.11 H new ATOM 0 HD1 TYR A 67 -12.301 -5.881 -6.867 1.00 4.24 H new ATOM 0 HD2 TYR A 67 -14.288 -2.111 -6.873 1.00 54.14 H new ATOM 0 HE1 TYR A 67 -13.190 -6.349 -9.111 1.00 62.45 H new ATOM 0 HE2 TYR A 67 -15.173 -2.578 -9.113 1.00 34.35 H new ATOM 0 HH TYR A 67 -15.044 -3.914 -10.914 1.00 73.42 H new ATOM 980 N LYS A 68 -15.467 -3.227 -3.574 1.00 51.32 N ATOM 981 CA LYS A 68 -16.870 -2.884 -3.695 1.00 14.22 C ATOM 982 C LYS A 68 -17.008 -1.488 -4.254 1.00 64.14 C ATOM 983 O LYS A 68 -16.048 -0.711 -4.271 1.00 25.23 O ATOM 984 CB LYS A 68 -17.587 -2.951 -2.352 1.00 52.01 C ATOM 985 CG LYS A 68 -17.654 -4.336 -1.746 1.00 2.04 C ATOM 986 CD LYS A 68 -18.464 -4.320 -0.459 1.00 62.55 C ATOM 987 CE LYS A 68 -17.941 -3.269 0.508 1.00 72.12 C ATOM 988 NZ LYS A 68 -18.935 -2.930 1.558 1.00 11.43 N ATOM 0 H LYS A 68 -14.956 -2.672 -2.887 1.00 51.32 H new ATOM 0 HA LYS A 68 -17.328 -3.611 -4.366 1.00 14.22 H new ATOM 0 HB2 LYS A 68 -17.083 -2.285 -1.651 1.00 52.01 H new ATOM 0 HB3 LYS A 68 -18.602 -2.573 -2.477 1.00 52.01 H new ATOM 0 HG2 LYS A 68 -18.105 -5.028 -2.457 1.00 2.04 H new ATOM 0 HG3 LYS A 68 -16.646 -4.699 -1.543 1.00 2.04 H new ATOM 0 HD2 LYS A 68 -19.511 -4.119 -0.688 1.00 62.55 H new ATOM 0 HD3 LYS A 68 -18.424 -5.303 0.011 1.00 62.55 H new ATOM 0 HE2 LYS A 68 -17.028 -3.633 0.978 1.00 72.12 H new ATOM 0 HE3 LYS A 68 -17.677 -2.368 -0.045 1.00 72.12 H new ATOM 0 HZ1 LYS A 68 -18.536 -2.210 2.194 1.00 11.43 H new ATOM 0 HZ2 LYS A 68 -19.798 -2.558 1.112 1.00 11.43 H new ATOM 0 HZ3 LYS A 68 -19.168 -3.784 2.104 1.00 11.43 H new ATOM 1002 N ILE A 69 -18.206 -1.168 -4.688 1.00 35.13 N ATOM 1003 CA ILE A 69 -18.465 0.113 -5.315 1.00 12.02 C ATOM 1004 C ILE A 69 -19.771 0.695 -4.810 1.00 2.33 C ATOM 1005 O ILE A 69 -20.848 0.168 -5.096 1.00 34.44 O ATOM 1006 CB ILE A 69 -18.546 -0.012 -6.850 1.00 22.34 C ATOM 1007 CG1 ILE A 69 -17.321 -0.744 -7.399 1.00 0.04 C ATOM 1008 CG2 ILE A 69 -18.665 1.369 -7.481 1.00 13.21 C ATOM 1009 CD1 ILE A 69 -17.461 -1.157 -8.845 1.00 14.31 C ATOM 0 H ILE A 69 -19.021 -1.778 -4.619 1.00 35.13 H new ATOM 0 HA ILE A 69 -17.634 0.769 -5.055 1.00 12.02 H new ATOM 0 HB ILE A 69 -19.432 -0.594 -7.104 1.00 22.34 H new ATOM 0 HG12 ILE A 69 -16.447 -0.100 -7.297 1.00 0.04 H new ATOM 0 HG13 ILE A 69 -17.136 -1.631 -6.793 1.00 0.04 H new ATOM 0 HG21 ILE A 69 -18.722 1.270 -8.565 1.00 13.21 H new ATOM 0 HG22 ILE A 69 -19.566 1.860 -7.114 1.00 13.21 H new ATOM 0 HG23 ILE A 69 -17.793 1.966 -7.216 1.00 13.21 H new ATOM 0 HD11 ILE A 69 -16.555 -1.671 -9.166 1.00 14.31 H new ATOM 0 HD12 ILE A 69 -18.314 -1.827 -8.951 1.00 14.31 H new ATOM 0 HD13 ILE A 69 -17.615 -0.272 -9.463 1.00 14.31 H new ATOM 1021 N LYS A 70 -19.687 1.773 -4.054 1.00 73.35 N ATOM 1022 CA LYS A 70 -20.884 2.448 -3.612 1.00 73.11 C ATOM 1023 C LYS A 70 -21.055 3.730 -4.389 1.00 72.23 C ATOM 1024 O LYS A 70 -20.409 4.745 -4.121 1.00 1.12 O ATOM 1025 CB LYS A 70 -20.856 2.727 -2.120 1.00 73.44 C ATOM 1026 CG LYS A 70 -22.206 3.146 -1.556 1.00 14.21 C ATOM 1027 CD LYS A 70 -22.159 3.331 -0.046 1.00 71.21 C ATOM 1028 CE LYS A 70 -23.535 3.667 0.511 1.00 61.23 C ATOM 1029 NZ LYS A 70 -23.506 3.886 1.981 1.00 44.33 N ATOM 0 H LYS A 70 -18.813 2.193 -3.738 1.00 73.35 H new ATOM 0 HA LYS A 70 -21.735 1.793 -3.799 1.00 73.11 H new ATOM 0 HB2 LYS A 70 -20.514 1.833 -1.598 1.00 73.44 H new ATOM 0 HB3 LYS A 70 -20.127 3.512 -1.919 1.00 73.44 H new ATOM 0 HG2 LYS A 70 -22.522 4.077 -2.026 1.00 14.21 H new ATOM 0 HG3 LYS A 70 -22.953 2.393 -1.806 1.00 14.21 H new ATOM 0 HD2 LYS A 70 -21.786 2.420 0.423 1.00 71.21 H new ATOM 0 HD3 LYS A 70 -21.458 4.128 0.204 1.00 71.21 H new ATOM 0 HE2 LYS A 70 -23.916 4.562 0.019 1.00 61.23 H new ATOM 0 HE3 LYS A 70 -24.227 2.857 0.279 1.00 61.23 H new ATOM 0 HZ1 LYS A 70 -24.464 4.112 2.317 1.00 44.33 H new ATOM 0 HZ2 LYS A 70 -23.168 3.024 2.454 1.00 44.33 H new ATOM 0 HZ3 LYS A 70 -22.866 4.676 2.202 1.00 44.33 H new ATOM 1043 N ASP A 71 -21.904 3.641 -5.379 1.00 52.14 N ATOM 1044 CA ASP A 71 -22.224 4.759 -6.243 1.00 10.23 C ATOM 1045 C ASP A 71 -23.145 5.724 -5.504 1.00 64.32 C ATOM 1046 O ASP A 71 -24.311 5.424 -5.256 1.00 21.12 O ATOM 1047 CB ASP A 71 -22.872 4.255 -7.538 1.00 53.14 C ATOM 1048 CG ASP A 71 -24.034 3.308 -7.304 1.00 61.03 C ATOM 1049 OD1 ASP A 71 -23.789 2.147 -6.914 1.00 20.22 O ATOM 1050 OD2 ASP A 71 -25.192 3.714 -7.527 1.00 41.03 O ATOM 0 H ASP A 71 -22.401 2.782 -5.615 1.00 52.14 H new ATOM 0 HA ASP A 71 -21.310 5.289 -6.511 1.00 10.23 H new ATOM 0 HB2 ASP A 71 -23.221 5.110 -8.117 1.00 53.14 H new ATOM 0 HB3 ASP A 71 -22.117 3.749 -8.140 1.00 53.14 H new ATOM 1055 N LEU A 72 -22.608 6.868 -5.123 1.00 35.32 N ATOM 1056 CA LEU A 72 -23.348 7.828 -4.317 1.00 73.15 C ATOM 1057 C LEU A 72 -23.942 8.912 -5.198 1.00 34.04 C ATOM 1058 O LEU A 72 -23.929 8.808 -6.428 1.00 1.55 O ATOM 1059 CB LEU A 72 -22.423 8.466 -3.273 1.00 4.22 C ATOM 1060 CG LEU A 72 -21.689 7.488 -2.360 1.00 63.10 C ATOM 1061 CD1 LEU A 72 -20.696 8.228 -1.479 1.00 2.50 C ATOM 1062 CD2 LEU A 72 -22.681 6.711 -1.511 1.00 71.43 C ATOM 0 H LEU A 72 -21.659 7.158 -5.358 1.00 35.32 H new ATOM 0 HA LEU A 72 -24.155 7.301 -3.809 1.00 73.15 H new ATOM 0 HB2 LEU A 72 -21.684 9.076 -3.792 1.00 4.22 H new ATOM 0 HB3 LEU A 72 -23.014 9.141 -2.653 1.00 4.22 H new ATOM 0 HG LEU A 72 -21.138 6.781 -2.980 1.00 63.10 H new ATOM 0 HD11 LEU A 72 -20.181 7.516 -0.834 1.00 2.50 H new ATOM 0 HD12 LEU A 72 -19.968 8.743 -2.105 1.00 2.50 H new ATOM 0 HD13 LEU A 72 -21.226 8.956 -0.865 1.00 2.50 H new ATOM 0 HD21 LEU A 72 -22.142 6.018 -0.865 1.00 71.43 H new ATOM 0 HD22 LEU A 72 -23.257 7.404 -0.898 1.00 71.43 H new ATOM 0 HD23 LEU A 72 -23.356 6.153 -2.160 1.00 71.43 H new ATOM 1074 N GLU A 73 -24.461 9.950 -4.564 1.00 11.20 N ATOM 1075 CA GLU A 73 -24.988 11.094 -5.282 1.00 25.05 C ATOM 1076 C GLU A 73 -23.831 11.946 -5.796 1.00 40.14 C ATOM 1077 O GLU A 73 -23.190 12.669 -5.031 1.00 14.43 O ATOM 1078 CB GLU A 73 -25.901 11.917 -4.372 1.00 24.32 C ATOM 1079 CG GLU A 73 -26.714 12.969 -5.103 1.00 64.12 C ATOM 1080 CD GLU A 73 -27.608 13.751 -4.168 1.00 3.12 C ATOM 1081 OE1 GLU A 73 -28.561 13.159 -3.618 1.00 12.22 O ATOM 1082 OE2 GLU A 73 -27.363 14.957 -3.977 1.00 72.01 O ATOM 0 H GLU A 73 -24.528 10.022 -3.549 1.00 11.20 H new ATOM 0 HA GLU A 73 -25.579 10.748 -6.130 1.00 25.05 H new ATOM 0 HB2 GLU A 73 -26.582 11.243 -3.852 1.00 24.32 H new ATOM 0 HB3 GLU A 73 -25.293 12.406 -3.611 1.00 24.32 H new ATOM 0 HG2 GLU A 73 -26.040 13.655 -5.617 1.00 64.12 H new ATOM 0 HG3 GLU A 73 -27.323 12.488 -5.868 1.00 64.12 H new ATOM 1089 N GLY A 74 -23.543 11.822 -7.080 1.00 2.50 N ATOM 1090 CA GLY A 74 -22.447 12.561 -7.673 1.00 63.15 C ATOM 1091 C GLY A 74 -21.159 11.761 -7.696 1.00 34.44 C ATOM 1092 O GLY A 74 -20.636 11.454 -8.764 1.00 21.40 O ATOM 0 H GLY A 74 -24.051 11.219 -7.727 1.00 2.50 H new ATOM 0 HA2 GLY A 74 -22.713 12.847 -8.691 1.00 63.15 H new ATOM 0 HA3 GLY A 74 -22.289 13.483 -7.114 1.00 63.15 H new ATOM 1096 N GLN A 75 -20.667 11.406 -6.519 1.00 62.13 N ATOM 1097 CA GLN A 75 -19.391 10.711 -6.389 1.00 25.11 C ATOM 1098 C GLN A 75 -19.610 9.243 -6.051 1.00 34.24 C ATOM 1099 O GLN A 75 -20.731 8.826 -5.777 1.00 23.25 O ATOM 1100 CB GLN A 75 -18.548 11.378 -5.301 1.00 4.43 C ATOM 1101 CG GLN A 75 -19.241 11.436 -3.944 1.00 44.12 C ATOM 1102 CD GLN A 75 -18.496 12.290 -2.935 1.00 71.22 C ATOM 1103 OE1 GLN A 75 -17.815 13.249 -3.297 1.00 23.51 O ATOM 1104 NE2 GLN A 75 -18.628 11.961 -1.657 1.00 34.44 N ATOM 0 H GLN A 75 -21.135 11.589 -5.632 1.00 62.13 H new ATOM 0 HA GLN A 75 -18.864 10.769 -7.341 1.00 25.11 H new ATOM 0 HB2 GLN A 75 -17.608 10.836 -5.197 1.00 4.43 H new ATOM 0 HB3 GLN A 75 -18.298 12.391 -5.616 1.00 4.43 H new ATOM 0 HG2 GLN A 75 -20.249 11.831 -4.073 1.00 44.12 H new ATOM 0 HG3 GLN A 75 -19.343 10.425 -3.551 1.00 44.12 H new ATOM 0 HE21 GLN A 75 -19.201 11.159 -1.393 1.00 34.44 H new ATOM 0 HE22 GLN A 75 -18.157 12.510 -0.938 1.00 34.44 H new ATOM 1113 N VAL A 76 -18.543 8.464 -6.076 1.00 45.20 N ATOM 1114 CA VAL A 76 -18.615 7.053 -5.715 1.00 45.31 C ATOM 1115 C VAL A 76 -17.519 6.700 -4.719 1.00 13.11 C ATOM 1116 O VAL A 76 -16.485 7.362 -4.666 1.00 13.34 O ATOM 1117 CB VAL A 76 -18.480 6.132 -6.949 1.00 50.24 C ATOM 1118 CG1 VAL A 76 -19.589 6.403 -7.958 1.00 71.40 C ATOM 1119 CG2 VAL A 76 -17.110 6.288 -7.595 1.00 52.03 C ATOM 0 H VAL A 76 -17.612 8.783 -6.343 1.00 45.20 H new ATOM 0 HA VAL A 76 -19.596 6.893 -5.267 1.00 45.31 H new ATOM 0 HB VAL A 76 -18.579 5.101 -6.610 1.00 50.24 H new ATOM 0 HG11 VAL A 76 -19.470 5.741 -8.816 1.00 71.40 H new ATOM 0 HG12 VAL A 76 -20.557 6.222 -7.492 1.00 71.40 H new ATOM 0 HG13 VAL A 76 -19.534 7.440 -8.289 1.00 71.40 H new ATOM 0 HG21 VAL A 76 -17.039 5.630 -8.461 1.00 52.03 H new ATOM 0 HG22 VAL A 76 -16.973 7.322 -7.913 1.00 52.03 H new ATOM 0 HG23 VAL A 76 -16.336 6.024 -6.874 1.00 52.03 H new ATOM 1129 N GLU A 77 -17.751 5.666 -3.926 1.00 32.23 N ATOM 1130 CA GLU A 77 -16.742 5.190 -2.994 1.00 44.22 C ATOM 1131 C GLU A 77 -16.197 3.838 -3.446 1.00 12.33 C ATOM 1132 O GLU A 77 -16.933 2.848 -3.506 1.00 2.30 O ATOM 1133 CB GLU A 77 -17.314 5.075 -1.579 1.00 22.20 C ATOM 1134 CG GLU A 77 -16.280 4.640 -0.551 1.00 22.11 C ATOM 1135 CD GLU A 77 -16.874 4.415 0.821 1.00 32.23 C ATOM 1136 OE1 GLU A 77 -17.554 3.389 1.014 1.00 12.30 O ATOM 1137 OE2 GLU A 77 -16.649 5.254 1.721 1.00 5.21 O ATOM 0 H GLU A 77 -18.626 5.142 -3.909 1.00 32.23 H new ATOM 0 HA GLU A 77 -15.928 5.915 -2.979 1.00 44.22 H new ATOM 0 HB2 GLU A 77 -17.730 6.038 -1.282 1.00 22.20 H new ATOM 0 HB3 GLU A 77 -18.137 4.360 -1.583 1.00 22.20 H new ATOM 0 HG2 GLU A 77 -15.802 3.721 -0.890 1.00 22.11 H new ATOM 0 HG3 GLU A 77 -15.500 5.399 -0.484 1.00 22.11 H new ATOM 1144 N LEU A 78 -14.912 3.813 -3.778 1.00 10.11 N ATOM 1145 CA LEU A 78 -14.237 2.577 -4.145 1.00 42.13 C ATOM 1146 C LEU A 78 -13.628 1.964 -2.894 1.00 15.53 C ATOM 1147 O LEU A 78 -12.723 2.542 -2.291 1.00 33.55 O ATOM 1148 CB LEU A 78 -13.159 2.854 -5.211 1.00 52.33 C ATOM 1149 CG LEU A 78 -12.500 1.625 -5.872 1.00 53.14 C ATOM 1150 CD1 LEU A 78 -11.452 0.994 -4.964 1.00 23.34 C ATOM 1151 CD2 LEU A 78 -13.552 0.593 -6.260 1.00 41.13 C ATOM 0 H LEU A 78 -14.315 4.640 -3.800 1.00 10.11 H new ATOM 0 HA LEU A 78 -14.951 1.875 -4.575 1.00 42.13 H new ATOM 0 HB2 LEU A 78 -13.607 3.463 -5.997 1.00 52.33 H new ATOM 0 HB3 LEU A 78 -12.374 3.454 -4.752 1.00 52.33 H new ATOM 0 HG LEU A 78 -11.996 1.971 -6.775 1.00 53.14 H new ATOM 0 HD11 LEU A 78 -11.010 0.132 -5.463 1.00 23.34 H new ATOM 0 HD12 LEU A 78 -10.674 1.725 -4.744 1.00 23.34 H new ATOM 0 HD13 LEU A 78 -11.922 0.673 -4.034 1.00 23.34 H new ATOM 0 HD21 LEU A 78 -13.066 -0.265 -6.724 1.00 41.13 H new ATOM 0 HD22 LEU A 78 -14.089 0.268 -5.369 1.00 41.13 H new ATOM 0 HD23 LEU A 78 -14.255 1.037 -6.965 1.00 41.13 H new ATOM 1163 N ASP A 79 -14.138 0.809 -2.506 1.00 30.31 N ATOM 1164 CA ASP A 79 -13.695 0.146 -1.285 1.00 24.13 C ATOM 1165 C ASP A 79 -12.890 -1.100 -1.616 1.00 13.25 C ATOM 1166 O ASP A 79 -13.419 -2.058 -2.176 1.00 32.51 O ATOM 1167 CB ASP A 79 -14.896 -0.219 -0.407 1.00 24.42 C ATOM 1168 CG ASP A 79 -14.506 -1.073 0.785 1.00 63.24 C ATOM 1169 OD1 ASP A 79 -13.833 -0.562 1.701 1.00 20.13 O ATOM 1170 OD2 ASP A 79 -14.886 -2.263 0.820 1.00 75.22 O ATOM 0 H ASP A 79 -14.862 0.306 -3.019 1.00 30.31 H new ATOM 0 HA ASP A 79 -13.056 0.836 -0.734 1.00 24.13 H new ATOM 0 HB2 ASP A 79 -15.375 0.694 -0.054 1.00 24.42 H new ATOM 0 HB3 ASP A 79 -15.632 -0.754 -1.008 1.00 24.42 H new ATOM 1175 N ALA A 80 -11.615 -1.082 -1.272 1.00 0.21 N ATOM 1176 CA ALA A 80 -10.721 -2.178 -1.596 1.00 53.32 C ATOM 1177 C ALA A 80 -10.189 -2.854 -0.342 1.00 13.24 C ATOM 1178 O ALA A 80 -9.765 -2.190 0.603 1.00 40.40 O ATOM 1179 CB ALA A 80 -9.567 -1.670 -2.443 1.00 0.33 C ATOM 0 H ALA A 80 -11.174 -0.315 -0.765 1.00 0.21 H new ATOM 0 HA ALA A 80 -11.288 -2.919 -2.159 1.00 53.32 H new ATOM 0 HB1 ALA A 80 -8.900 -2.498 -2.683 1.00 0.33 H new ATOM 0 HB2 ALA A 80 -9.955 -1.238 -3.365 1.00 0.33 H new ATOM 0 HB3 ALA A 80 -9.017 -0.909 -1.890 1.00 0.33 H new ATOM 1185 N ALA A 81 -10.236 -4.175 -0.337 1.00 51.13 N ATOM 1186 CA ALA A 81 -9.662 -4.971 0.733 1.00 53.14 C ATOM 1187 C ALA A 81 -8.514 -5.819 0.201 1.00 34.10 C ATOM 1188 O ALA A 81 -8.732 -6.774 -0.547 1.00 70.24 O ATOM 1189 CB ALA A 81 -10.726 -5.858 1.364 1.00 42.34 C ATOM 0 H ALA A 81 -10.674 -4.726 -1.075 1.00 51.13 H new ATOM 0 HA ALA A 81 -9.274 -4.298 1.498 1.00 53.14 H new ATOM 0 HB1 ALA A 81 -10.280 -6.448 2.164 1.00 42.34 H new ATOM 0 HB2 ALA A 81 -11.523 -5.236 1.773 1.00 42.34 H new ATOM 0 HB3 ALA A 81 -11.139 -6.526 0.608 1.00 42.34 H new ATOM 1195 N PHE A 82 -7.299 -5.438 0.561 1.00 64.42 N ATOM 1196 CA PHE A 82 -6.107 -6.168 0.154 1.00 32.14 C ATOM 1197 C PHE A 82 -5.587 -7.025 1.300 1.00 31.14 C ATOM 1198 O PHE A 82 -5.135 -6.508 2.320 1.00 65.02 O ATOM 1199 CB PHE A 82 -5.009 -5.201 -0.302 1.00 43.04 C ATOM 1200 CG PHE A 82 -5.297 -4.506 -1.603 1.00 53.43 C ATOM 1201 CD1 PHE A 82 -4.933 -5.089 -2.805 1.00 24.54 C ATOM 1202 CD2 PHE A 82 -5.917 -3.265 -1.625 1.00 22.13 C ATOM 1203 CE1 PHE A 82 -5.185 -4.452 -4.005 1.00 72.15 C ATOM 1204 CE2 PHE A 82 -6.167 -2.624 -2.823 1.00 2.04 C ATOM 1205 CZ PHE A 82 -5.800 -3.218 -4.014 1.00 72.02 C ATOM 0 H PHE A 82 -7.111 -4.620 1.140 1.00 64.42 H new ATOM 0 HA PHE A 82 -6.379 -6.815 -0.680 1.00 32.14 H new ATOM 0 HB2 PHE A 82 -4.859 -4.449 0.473 1.00 43.04 H new ATOM 0 HB3 PHE A 82 -4.073 -5.752 -0.397 1.00 43.04 H new ATOM 0 HD1 PHE A 82 -4.446 -6.053 -2.805 1.00 24.54 H new ATOM 0 HD2 PHE A 82 -6.207 -2.796 -0.697 1.00 22.13 H new ATOM 0 HE1 PHE A 82 -4.900 -4.921 -4.936 1.00 72.15 H new ATOM 0 HE2 PHE A 82 -6.650 -1.658 -2.828 1.00 2.04 H new ATOM 0 HZ PHE A 82 -5.994 -2.717 -4.951 1.00 72.02 H new ATOM 1215 N THR A 83 -5.659 -8.332 1.132 1.00 34.12 N ATOM 1216 CA THR A 83 -5.154 -9.251 2.131 1.00 64.43 C ATOM 1217 C THR A 83 -3.879 -9.920 1.637 1.00 73.23 C ATOM 1218 O THR A 83 -3.915 -10.787 0.758 1.00 72.42 O ATOM 1219 CB THR A 83 -6.198 -10.325 2.490 1.00 42.10 C ATOM 1220 OG1 THR A 83 -7.438 -9.699 2.841 1.00 73.31 O ATOM 1221 CG2 THR A 83 -5.714 -11.186 3.648 1.00 24.45 C ATOM 0 H THR A 83 -6.064 -8.781 0.310 1.00 34.12 H new ATOM 0 HA THR A 83 -4.937 -8.673 3.029 1.00 64.43 H new ATOM 0 HB THR A 83 -6.345 -10.965 1.620 1.00 42.10 H new ATOM 0 HG1 THR A 83 -8.099 -10.386 3.067 1.00 73.31 H new ATOM 0 HG21 THR A 83 -6.468 -11.937 3.883 1.00 24.45 H new ATOM 0 HG22 THR A 83 -4.784 -11.681 3.369 1.00 24.45 H new ATOM 0 HG23 THR A 83 -5.543 -10.558 4.522 1.00 24.45 H new ATOM 1229 N PHE A 84 -2.754 -9.501 2.196 1.00 64.34 N ATOM 1230 CA PHE A 84 -1.462 -10.056 1.826 1.00 35.41 C ATOM 1231 C PHE A 84 -1.112 -11.220 2.739 1.00 44.23 C ATOM 1232 O PHE A 84 -1.586 -11.296 3.870 1.00 3.11 O ATOM 1233 CB PHE A 84 -0.370 -8.983 1.882 1.00 51.24 C ATOM 1234 CG PHE A 84 -0.429 -8.009 0.740 1.00 43.04 C ATOM 1235 CD1 PHE A 84 -1.385 -7.007 0.708 1.00 14.42 C ATOM 1236 CD2 PHE A 84 0.477 -8.094 -0.302 1.00 3.01 C ATOM 1237 CE1 PHE A 84 -1.437 -6.113 -0.343 1.00 45.24 C ATOM 1238 CE2 PHE A 84 0.430 -7.203 -1.356 1.00 12.53 C ATOM 1239 CZ PHE A 84 -0.528 -6.211 -1.377 1.00 74.43 C ATOM 0 H PHE A 84 -2.710 -8.775 2.911 1.00 64.34 H new ATOM 0 HA PHE A 84 -1.525 -10.420 0.800 1.00 35.41 H new ATOM 0 HB2 PHE A 84 -0.457 -8.436 2.821 1.00 51.24 H new ATOM 0 HB3 PHE A 84 0.606 -9.469 1.885 1.00 51.24 H new ATOM 0 HD1 PHE A 84 -2.098 -6.924 1.515 1.00 14.42 H new ATOM 0 HD2 PHE A 84 1.231 -8.867 -0.291 1.00 3.01 H new ATOM 0 HE1 PHE A 84 -2.189 -5.337 -0.356 1.00 45.24 H new ATOM 0 HE2 PHE A 84 1.143 -7.283 -2.163 1.00 12.53 H new ATOM 0 HZ PHE A 84 -0.567 -5.513 -2.200 1.00 74.43 H new ATOM 1249 N SER A 85 -0.290 -12.131 2.240 1.00 41.32 N ATOM 1250 CA SER A 85 0.071 -13.323 2.991 1.00 52.14 C ATOM 1251 C SER A 85 1.076 -12.995 4.092 1.00 44.14 C ATOM 1252 O SER A 85 1.076 -13.616 5.155 1.00 0.22 O ATOM 1253 CB SER A 85 0.641 -14.366 2.035 1.00 15.42 C ATOM 1254 OG SER A 85 -0.233 -14.549 0.932 1.00 33.20 O ATOM 0 H SER A 85 0.140 -12.067 1.317 1.00 41.32 H new ATOM 0 HA SER A 85 -0.822 -13.723 3.472 1.00 52.14 H new ATOM 0 HB2 SER A 85 1.622 -14.049 1.682 1.00 15.42 H new ATOM 0 HB3 SER A 85 0.781 -15.312 2.558 1.00 15.42 H new ATOM 0 HG SER A 85 -0.043 -15.409 0.503 1.00 33.20 H new ATOM 1260 N CYS A 86 1.921 -12.008 3.833 1.00 11.50 N ATOM 1261 CA CYS A 86 2.919 -11.584 4.799 1.00 5.41 C ATOM 1262 C CYS A 86 2.770 -10.094 5.081 1.00 1.22 C ATOM 1263 O CYS A 86 2.427 -9.319 4.187 1.00 63.21 O ATOM 1264 CB CYS A 86 4.325 -11.882 4.276 1.00 73.41 C ATOM 1265 SG CYS A 86 4.559 -13.575 3.691 1.00 33.45 S ATOM 0 H CYS A 86 1.934 -11.485 2.957 1.00 11.50 H new ATOM 0 HA CYS A 86 2.768 -12.138 5.726 1.00 5.41 H new ATOM 0 HB2 CYS A 86 4.550 -11.194 3.461 1.00 73.41 H new ATOM 0 HB3 CYS A 86 5.045 -11.682 5.070 1.00 73.41 H new ATOM 0 HG CYS A 86 5.779 -13.723 3.268 1.00 33.45 H new ATOM 1271 N GLN A 87 3.021 -9.701 6.321 1.00 21.43 N ATOM 1272 CA GLN A 87 2.906 -8.306 6.724 1.00 61.42 C ATOM 1273 C GLN A 87 3.959 -7.446 6.039 1.00 15.54 C ATOM 1274 O GLN A 87 3.715 -6.279 5.730 1.00 74.20 O ATOM 1275 CB GLN A 87 3.016 -8.189 8.244 1.00 40.42 C ATOM 1276 CG GLN A 87 3.063 -6.756 8.748 1.00 41.43 C ATOM 1277 CD GLN A 87 2.686 -6.654 10.210 1.00 1.44 C ATOM 1278 OE1 GLN A 87 3.538 -6.746 11.093 1.00 1.14 O ATOM 1279 NE2 GLN A 87 1.402 -6.476 10.479 1.00 52.33 N ATOM 0 H GLN A 87 3.307 -10.332 7.070 1.00 21.43 H new ATOM 0 HA GLN A 87 1.928 -7.939 6.413 1.00 61.42 H new ATOM 0 HB2 GLN A 87 2.166 -8.697 8.700 1.00 40.42 H new ATOM 0 HB3 GLN A 87 3.914 -8.710 8.575 1.00 40.42 H new ATOM 0 HG2 GLN A 87 4.066 -6.354 8.604 1.00 41.43 H new ATOM 0 HG3 GLN A 87 2.385 -6.141 8.156 1.00 41.43 H new ATOM 0 HE21 GLN A 87 0.727 -6.405 9.718 1.00 52.33 H new ATOM 0 HE22 GLN A 87 1.088 -6.410 11.447 1.00 52.33 H new ATOM 1288 N ALA A 88 5.122 -8.032 5.785 1.00 21.24 N ATOM 1289 CA ALA A 88 6.193 -7.328 5.092 1.00 44.45 C ATOM 1290 C ALA A 88 5.721 -6.854 3.723 1.00 64.04 C ATOM 1291 O ALA A 88 6.044 -5.749 3.290 1.00 74.14 O ATOM 1292 CB ALA A 88 7.414 -8.221 4.950 1.00 52.43 C ATOM 0 H ALA A 88 5.347 -8.991 6.048 1.00 21.24 H new ATOM 0 HA ALA A 88 6.470 -6.456 5.685 1.00 44.45 H new ATOM 0 HB1 ALA A 88 8.203 -7.678 4.430 1.00 52.43 H new ATOM 0 HB2 ALA A 88 7.766 -8.515 5.939 1.00 52.43 H new ATOM 0 HB3 ALA A 88 7.149 -9.111 4.379 1.00 52.43 H new ATOM 1298 N GLU A 89 4.915 -7.685 3.073 1.00 0.30 N ATOM 1299 CA GLU A 89 4.412 -7.388 1.738 1.00 12.21 C ATOM 1300 C GLU A 89 3.454 -6.199 1.781 1.00 34.42 C ATOM 1301 O GLU A 89 3.360 -5.429 0.828 1.00 72.23 O ATOM 1302 CB GLU A 89 3.688 -8.608 1.163 1.00 71.21 C ATOM 1303 CG GLU A 89 4.404 -9.929 1.412 1.00 41.32 C ATOM 1304 CD GLU A 89 5.812 -9.956 0.860 1.00 53.44 C ATOM 1305 OE1 GLU A 89 5.983 -10.338 -0.312 1.00 3.42 O ATOM 1306 OE2 GLU A 89 6.752 -9.608 1.601 1.00 12.21 O ATOM 0 H GLU A 89 4.594 -8.576 3.452 1.00 0.30 H new ATOM 0 HA GLU A 89 5.259 -7.138 1.100 1.00 12.21 H new ATOM 0 HB2 GLU A 89 2.689 -8.661 1.595 1.00 71.21 H new ATOM 0 HB3 GLU A 89 3.564 -8.471 0.089 1.00 71.21 H new ATOM 0 HG2 GLU A 89 4.437 -10.120 2.485 1.00 41.32 H new ATOM 0 HG3 GLU A 89 3.828 -10.738 0.962 1.00 41.32 H new ATOM 1313 N MET A 90 2.752 -6.050 2.898 1.00 64.24 N ATOM 1314 CA MET A 90 1.786 -4.968 3.063 1.00 70.24 C ATOM 1315 C MET A 90 2.482 -3.610 3.062 1.00 23.34 C ATOM 1316 O MET A 90 2.144 -2.724 2.276 1.00 33.42 O ATOM 1317 CB MET A 90 1.006 -5.148 4.370 1.00 21.25 C ATOM 1318 CG MET A 90 0.037 -4.013 4.670 1.00 50.13 C ATOM 1319 SD MET A 90 -1.263 -3.859 3.432 1.00 54.54 S ATOM 1320 CE MET A 90 -2.103 -5.426 3.636 1.00 62.35 C ATOM 0 H MET A 90 2.833 -6.667 3.706 1.00 64.24 H new ATOM 0 HA MET A 90 1.093 -5.004 2.222 1.00 70.24 H new ATOM 0 HB2 MET A 90 0.450 -6.085 4.324 1.00 21.25 H new ATOM 0 HB3 MET A 90 1.713 -5.237 5.195 1.00 21.25 H new ATOM 0 HG2 MET A 90 -0.416 -4.177 5.648 1.00 50.13 H new ATOM 0 HG3 MET A 90 0.590 -3.075 4.728 1.00 50.13 H new ATOM 0 HE1 MET A 90 -2.969 -5.464 2.975 1.00 62.35 H new ATOM 0 HE2 MET A 90 -1.421 -6.239 3.388 1.00 62.35 H new ATOM 0 HE3 MET A 90 -2.432 -5.531 4.670 1.00 62.35 H new ATOM 1330 N ILE A 91 3.469 -3.458 3.935 1.00 34.53 N ATOM 1331 CA ILE A 91 4.159 -2.188 4.088 1.00 4.13 C ATOM 1332 C ILE A 91 4.972 -1.823 2.847 1.00 2.43 C ATOM 1333 O ILE A 91 4.995 -0.664 2.444 1.00 24.34 O ATOM 1334 CB ILE A 91 5.063 -2.172 5.339 1.00 45.41 C ATOM 1335 CG1 ILE A 91 5.680 -3.552 5.586 1.00 44.34 C ATOM 1336 CG2 ILE A 91 4.266 -1.710 6.550 1.00 30.30 C ATOM 1337 CD1 ILE A 91 6.739 -3.564 6.668 1.00 25.32 C ATOM 0 H ILE A 91 3.808 -4.200 4.547 1.00 34.53 H new ATOM 0 HA ILE A 91 3.383 -1.434 4.217 1.00 4.13 H new ATOM 0 HB ILE A 91 5.879 -1.470 5.170 1.00 45.41 H new ATOM 0 HG12 ILE A 91 4.888 -4.250 5.858 1.00 44.34 H new ATOM 0 HG13 ILE A 91 6.119 -3.915 4.657 1.00 44.34 H new ATOM 0 HG21 ILE A 91 4.911 -1.702 7.429 1.00 30.30 H new ATOM 0 HG22 ILE A 91 3.883 -0.705 6.372 1.00 30.30 H new ATOM 0 HG23 ILE A 91 3.432 -2.392 6.719 1.00 30.30 H new ATOM 0 HD11 ILE A 91 7.128 -4.575 6.785 1.00 25.32 H new ATOM 0 HD12 ILE A 91 7.551 -2.892 6.390 1.00 25.32 H new ATOM 0 HD13 ILE A 91 6.301 -3.233 7.610 1.00 25.32 H new ATOM 1349 N ILE A 92 5.620 -2.800 2.221 1.00 65.32 N ATOM 1350 CA ILE A 92 6.403 -2.519 1.022 1.00 15.10 C ATOM 1351 C ILE A 92 5.486 -2.154 -0.144 1.00 10.42 C ATOM 1352 O ILE A 92 5.862 -1.378 -1.027 1.00 51.24 O ATOM 1353 CB ILE A 92 7.349 -3.689 0.644 1.00 71.13 C ATOM 1354 CG1 ILE A 92 6.585 -4.986 0.345 1.00 42.14 C ATOM 1355 CG2 ILE A 92 8.362 -3.920 1.755 1.00 3.21 C ATOM 1356 CD1 ILE A 92 6.207 -5.158 -1.111 1.00 43.11 C ATOM 0 H ILE A 92 5.620 -3.776 2.516 1.00 65.32 H new ATOM 0 HA ILE A 92 7.040 -1.663 1.246 1.00 15.10 H new ATOM 0 HB ILE A 92 7.868 -3.404 -0.271 1.00 71.13 H new ATOM 0 HG12 ILE A 92 7.196 -5.834 0.654 1.00 42.14 H new ATOM 0 HG13 ILE A 92 5.679 -5.009 0.950 1.00 42.14 H new ATOM 0 HG21 ILE A 92 9.022 -4.743 1.481 1.00 3.21 H new ATOM 0 HG22 ILE A 92 8.952 -3.016 1.903 1.00 3.21 H new ATOM 0 HG23 ILE A 92 7.839 -4.167 2.679 1.00 3.21 H new ATOM 0 HD11 ILE A 92 5.671 -6.098 -1.239 1.00 43.11 H new ATOM 0 HD12 ILE A 92 5.569 -4.331 -1.421 1.00 43.11 H new ATOM 0 HD13 ILE A 92 7.109 -5.169 -1.722 1.00 43.11 H new ATOM 1368 N PHE A 93 4.278 -2.707 -0.129 1.00 62.43 N ATOM 1369 CA PHE A 93 3.274 -2.397 -1.134 1.00 60.44 C ATOM 1370 C PHE A 93 2.892 -0.922 -1.072 1.00 44.22 C ATOM 1371 O PHE A 93 2.959 -0.218 -2.079 1.00 45.23 O ATOM 1372 CB PHE A 93 2.038 -3.278 -0.925 1.00 74.41 C ATOM 1373 CG PHE A 93 0.877 -2.946 -1.818 1.00 22.22 C ATOM 1374 CD1 PHE A 93 0.979 -3.079 -3.193 1.00 4.54 C ATOM 1375 CD2 PHE A 93 -0.321 -2.506 -1.277 1.00 4.23 C ATOM 1376 CE1 PHE A 93 -0.092 -2.780 -4.012 1.00 22.04 C ATOM 1377 CE2 PHE A 93 -1.396 -2.207 -2.091 1.00 52.13 C ATOM 1378 CZ PHE A 93 -1.281 -2.345 -3.459 1.00 21.23 C ATOM 0 H PHE A 93 3.971 -3.378 0.576 1.00 62.43 H new ATOM 0 HA PHE A 93 3.691 -2.600 -2.120 1.00 60.44 H new ATOM 0 HB2 PHE A 93 2.318 -4.319 -1.087 1.00 74.41 H new ATOM 0 HB3 PHE A 93 1.718 -3.192 0.113 1.00 74.41 H new ATOM 0 HD1 PHE A 93 1.906 -3.420 -3.629 1.00 4.54 H new ATOM 0 HD2 PHE A 93 -0.415 -2.396 -0.207 1.00 4.23 H new ATOM 0 HE1 PHE A 93 -0.000 -2.886 -5.083 1.00 22.04 H new ATOM 0 HE2 PHE A 93 -2.325 -1.866 -1.658 1.00 52.13 H new ATOM 0 HZ PHE A 93 -2.121 -2.113 -4.098 1.00 21.23 H new ATOM 1388 N GLU A 94 2.532 -0.450 0.117 1.00 14.41 N ATOM 1389 CA GLU A 94 2.097 0.932 0.278 1.00 63.21 C ATOM 1390 C GLU A 94 3.258 1.905 0.088 1.00 2.03 C ATOM 1391 O GLU A 94 3.059 3.023 -0.379 1.00 73.14 O ATOM 1392 CB GLU A 94 1.433 1.160 1.638 1.00 75.14 C ATOM 1393 CG GLU A 94 2.293 0.775 2.825 1.00 22.23 C ATOM 1394 CD GLU A 94 1.919 1.547 4.069 1.00 14.34 C ATOM 1395 OE1 GLU A 94 0.908 1.202 4.713 1.00 3.01 O ATOM 1396 OE2 GLU A 94 2.627 2.515 4.401 1.00 63.13 O ATOM 0 H GLU A 94 2.533 -0.999 0.977 1.00 14.41 H new ATOM 0 HA GLU A 94 1.355 1.124 -0.498 1.00 63.21 H new ATOM 0 HB2 GLU A 94 1.164 2.213 1.726 1.00 75.14 H new ATOM 0 HB3 GLU A 94 0.505 0.589 1.676 1.00 75.14 H new ATOM 0 HG2 GLU A 94 2.190 -0.293 3.016 1.00 22.23 H new ATOM 0 HG3 GLU A 94 3.341 0.956 2.587 1.00 22.23 H new ATOM 1403 N LEU A 95 4.468 1.481 0.445 1.00 24.53 N ATOM 1404 CA LEU A 95 5.651 2.307 0.227 1.00 13.43 C ATOM 1405 C LEU A 95 5.840 2.578 -1.259 1.00 11.20 C ATOM 1406 O LEU A 95 6.086 3.713 -1.669 1.00 71.42 O ATOM 1407 CB LEU A 95 6.907 1.640 0.793 1.00 33.12 C ATOM 1408 CG LEU A 95 6.966 1.542 2.316 1.00 11.51 C ATOM 1409 CD1 LEU A 95 8.255 0.865 2.752 1.00 13.33 C ATOM 1410 CD2 LEU A 95 6.844 2.919 2.946 1.00 64.45 C ATOM 0 H LEU A 95 4.654 0.579 0.883 1.00 24.53 H new ATOM 0 HA LEU A 95 5.497 3.251 0.750 1.00 13.43 H new ATOM 0 HB2 LEU A 95 6.983 0.635 0.378 1.00 33.12 H new ATOM 0 HB3 LEU A 95 7.780 2.194 0.447 1.00 33.12 H new ATOM 0 HG LEU A 95 6.126 0.937 2.657 1.00 11.51 H new ATOM 0 HD11 LEU A 95 8.283 0.802 3.840 1.00 13.33 H new ATOM 0 HD12 LEU A 95 8.300 -0.139 2.329 1.00 13.33 H new ATOM 0 HD13 LEU A 95 9.108 1.445 2.400 1.00 13.33 H new ATOM 0 HD21 LEU A 95 6.888 2.828 4.031 1.00 64.45 H new ATOM 0 HD22 LEU A 95 7.663 3.551 2.601 1.00 64.45 H new ATOM 0 HD23 LEU A 95 5.893 3.368 2.658 1.00 64.45 H new ATOM 1422 N SER A 96 5.692 1.537 -2.063 1.00 33.45 N ATOM 1423 CA SER A 96 5.832 1.657 -3.507 1.00 64.41 C ATOM 1424 C SER A 96 4.715 2.526 -4.088 1.00 22.15 C ATOM 1425 O SER A 96 4.856 3.104 -5.166 1.00 2.45 O ATOM 1426 CB SER A 96 5.818 0.266 -4.141 1.00 12.00 C ATOM 1427 OG SER A 96 6.778 -0.582 -3.525 1.00 55.45 O ATOM 0 H SER A 96 5.474 0.595 -1.739 1.00 33.45 H new ATOM 0 HA SER A 96 6.783 2.140 -3.732 1.00 64.41 H new ATOM 0 HB2 SER A 96 4.825 -0.172 -4.044 1.00 12.00 H new ATOM 0 HB3 SER A 96 6.029 0.346 -5.207 1.00 12.00 H new ATOM 0 HG SER A 96 6.438 -0.885 -2.657 1.00 55.45 H new ATOM 1433 N LEU A 97 3.606 2.619 -3.361 1.00 33.15 N ATOM 1434 CA LEU A 97 2.488 3.456 -3.774 1.00 41.03 C ATOM 1435 C LEU A 97 2.772 4.923 -3.476 1.00 73.42 C ATOM 1436 O LEU A 97 2.309 5.808 -4.190 1.00 41.13 O ATOM 1437 CB LEU A 97 1.203 3.036 -3.058 1.00 51.21 C ATOM 1438 CG LEU A 97 0.774 1.583 -3.264 1.00 3.45 C ATOM 1439 CD1 LEU A 97 -0.527 1.304 -2.531 1.00 74.21 C ATOM 1440 CD2 LEU A 97 0.628 1.273 -4.744 1.00 1.34 C ATOM 0 H LEU A 97 3.459 2.124 -2.482 1.00 33.15 H new ATOM 0 HA LEU A 97 2.359 3.327 -4.849 1.00 41.03 H new ATOM 0 HB2 LEU A 97 1.331 3.210 -1.990 1.00 51.21 H new ATOM 0 HB3 LEU A 97 0.394 3.685 -3.392 1.00 51.21 H new ATOM 0 HG LEU A 97 1.548 0.935 -2.853 1.00 3.45 H new ATOM 0 HD11 LEU A 97 -0.818 0.265 -2.688 1.00 74.21 H new ATOM 0 HD12 LEU A 97 -0.390 1.485 -1.465 1.00 74.21 H new ATOM 0 HD13 LEU A 97 -1.308 1.961 -2.913 1.00 74.21 H new ATOM 0 HD21 LEU A 97 0.322 0.234 -4.870 1.00 1.34 H new ATOM 0 HD22 LEU A 97 -0.126 1.929 -5.180 1.00 1.34 H new ATOM 0 HD23 LEU A 97 1.583 1.433 -5.245 1.00 1.34 H new ATOM 1452 N ARG A 98 3.547 5.169 -2.422 1.00 63.34 N ATOM 1453 CA ARG A 98 3.807 6.530 -1.959 1.00 64.22 C ATOM 1454 C ARG A 98 4.536 7.349 -3.018 1.00 72.53 C ATOM 1455 O ARG A 98 4.107 8.449 -3.358 1.00 74.02 O ATOM 1456 CB ARG A 98 4.615 6.518 -0.663 1.00 1.31 C ATOM 1457 CG ARG A 98 3.890 5.858 0.495 1.00 64.43 C ATOM 1458 CD ARG A 98 4.699 5.935 1.775 1.00 4.22 C ATOM 1459 NE ARG A 98 4.066 5.201 2.867 1.00 25.13 N ATOM 1460 CZ ARG A 98 3.942 5.672 4.107 1.00 31.31 C ATOM 1461 NH1 ARG A 98 4.390 6.879 4.419 1.00 23.53 N ATOM 1462 NH2 ARG A 98 3.362 4.936 5.038 1.00 25.11 N ATOM 0 H ARG A 98 4.006 4.443 -1.872 1.00 63.34 H new ATOM 0 HA ARG A 98 2.841 6.998 -1.769 1.00 64.22 H new ATOM 0 HB2 ARG A 98 5.557 5.997 -0.836 1.00 1.31 H new ATOM 0 HB3 ARG A 98 4.863 7.543 -0.389 1.00 1.31 H new ATOM 0 HG2 ARG A 98 2.925 6.342 0.644 1.00 64.43 H new ATOM 0 HG3 ARG A 98 3.690 4.814 0.253 1.00 64.43 H new ATOM 0 HD2 ARG A 98 5.697 5.533 1.598 1.00 4.22 H new ATOM 0 HD3 ARG A 98 4.823 6.979 2.064 1.00 4.22 H new ATOM 0 HE ARG A 98 3.696 4.271 2.668 1.00 25.13 H new ATOM 0 HH11 ARG A 98 4.835 7.458 3.707 1.00 23.53 H new ATOM 0 HH12 ARG A 98 4.290 7.230 5.372 1.00 23.53 H new ATOM 0 HH21 ARG A 98 3.009 4.007 4.807 1.00 25.11 H new ATOM 0 HH22 ARG A 98 3.267 5.297 5.987 1.00 25.11 H new ATOM 1476 N SER A 99 5.627 6.805 -3.543 1.00 63.24 N ATOM 1477 CA SER A 99 6.416 7.505 -4.548 1.00 75.41 C ATOM 1478 C SER A 99 5.655 7.600 -5.869 1.00 51.42 C ATOM 1479 O SER A 99 5.844 8.539 -6.648 1.00 30.10 O ATOM 1480 CB SER A 99 7.757 6.795 -4.741 1.00 43.12 C ATOM 1481 OG SER A 99 7.594 5.386 -4.716 1.00 4.24 O ATOM 0 H SER A 99 5.985 5.884 -3.290 1.00 63.24 H new ATOM 0 HA SER A 99 6.604 8.521 -4.201 1.00 75.41 H new ATOM 0 HB2 SER A 99 8.199 7.097 -5.691 1.00 43.12 H new ATOM 0 HB3 SER A 99 8.450 7.099 -3.956 1.00 43.12 H new ATOM 0 HG SER A 99 8.464 4.954 -4.843 1.00 4.24 H new ATOM 1487 N LEU A 100 4.785 6.629 -6.102 1.00 72.20 N ATOM 1488 CA LEU A 100 3.927 6.628 -7.275 1.00 21.43 C ATOM 1489 C LEU A 100 2.903 7.753 -7.175 1.00 44.01 C ATOM 1490 O LEU A 100 2.686 8.506 -8.128 1.00 30.43 O ATOM 1491 CB LEU A 100 3.238 5.262 -7.396 1.00 74.12 C ATOM 1492 CG LEU A 100 2.254 5.101 -8.560 1.00 4.32 C ATOM 1493 CD1 LEU A 100 2.246 3.662 -9.046 1.00 24.21 C ATOM 1494 CD2 LEU A 100 0.844 5.506 -8.146 1.00 30.54 C ATOM 0 H LEU A 100 4.655 5.825 -5.488 1.00 72.20 H new ATOM 0 HA LEU A 100 4.525 6.799 -8.170 1.00 21.43 H new ATOM 0 HB2 LEU A 100 4.009 4.497 -7.490 1.00 74.12 H new ATOM 0 HB3 LEU A 100 2.704 5.064 -6.466 1.00 74.12 H new ATOM 0 HG LEU A 100 2.581 5.756 -9.368 1.00 4.32 H new ATOM 0 HD11 LEU A 100 1.543 3.561 -9.873 1.00 24.21 H new ATOM 0 HD12 LEU A 100 3.245 3.386 -9.383 1.00 24.21 H new ATOM 0 HD13 LEU A 100 1.944 3.004 -8.231 1.00 24.21 H new ATOM 0 HD21 LEU A 100 0.167 5.382 -8.991 1.00 30.54 H new ATOM 0 HD22 LEU A 100 0.513 4.877 -7.320 1.00 30.54 H new ATOM 0 HD23 LEU A 100 0.843 6.549 -7.831 1.00 30.54 H new