USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 495 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 80 THR OG1 : rot 148:sc= -6.96! USER MOD Set 1.2: A 87 ASN : amide:sc= -8.33! C(o=-15!,f=-11!) USER MOD Single : A 25 THR OG1 : rot 32:sc= -4.47! USER MOD Single : A 26 SER OG : rot 36:sc= 0.121 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -160:sc= -1.26 USER MOD Single : A 31 SER OG : rot -148:sc= 0.991 USER MOD Single : A 34 GLN : amide:sc= -0.0751 K(o=-0.075,f=-1.4!) USER MOD Single : A 35 SER OG : rot 26:sc= 0.00866 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.34) USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00114 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -66:sc= 0.445 USER MOD Single : A 101 CYS SG : rot 62:sc= -1.42 USER MOD Single : A 102 HIS : no HD1:sc= -0.0625 X(o=-0.063,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 356 N THR A 25 68.282 -38.236 5.390 1.00 50.23 N ATOM 357 CA THR A 25 69.543 -37.603 5.023 1.00 31.54 C ATOM 358 C THR A 25 70.312 -37.150 6.258 1.00 61.43 C ATOM 359 O THR A 25 69.893 -36.227 6.957 1.00 2.14 O ATOM 360 CB THR A 25 69.316 -36.392 4.099 1.00 21.03 C ATOM 361 OG1 THR A 25 70.516 -35.615 4.007 1.00 70.32 O ATOM 362 CG2 THR A 25 68.181 -35.522 4.616 1.00 14.32 C ATOM 0 HA THR A 25 70.129 -38.352 4.490 1.00 31.54 H new ATOM 0 HB THR A 25 69.046 -36.763 3.110 1.00 21.03 H new ATOM 0 HG1 THR A 25 71.295 -36.205 4.084 1.00 70.32 H new ATOM 0 HG21 THR A 25 68.039 -34.673 3.947 1.00 14.32 H new ATOM 0 HG22 THR A 25 67.263 -36.108 4.658 1.00 14.32 H new ATOM 0 HG23 THR A 25 68.426 -35.160 5.615 1.00 14.32 H new ATOM 370 N SER A 26 71.438 -37.804 6.522 1.00 11.13 N ATOM 371 CA SER A 26 72.264 -37.470 7.677 1.00 42.22 C ATOM 372 C SER A 26 72.996 -36.149 7.456 1.00 10.11 C ATOM 373 O SER A 26 73.729 -35.988 6.481 1.00 30.01 O ATOM 374 CB SER A 26 73.274 -38.586 7.949 1.00 63.20 C ATOM 375 OG SER A 26 73.978 -38.935 6.769 1.00 14.22 O ATOM 0 H SER A 26 71.800 -38.569 5.952 1.00 11.13 H new ATOM 0 HA SER A 26 71.610 -37.364 8.542 1.00 42.22 H new ATOM 0 HB2 SER A 26 73.979 -38.264 8.715 1.00 63.20 H new ATOM 0 HB3 SER A 26 72.756 -39.462 8.340 1.00 63.20 H new ATOM 0 HG SER A 26 74.128 -38.132 6.228 1.00 14.22 H new ATOM 381 N ALA A 27 72.790 -35.206 8.370 1.00 23.00 N ATOM 382 CA ALA A 27 73.431 -33.900 8.278 1.00 50.04 C ATOM 383 C ALA A 27 73.738 -33.341 9.663 1.00 12.32 C ATOM 384 O ALA A 27 73.190 -33.800 10.666 1.00 63.11 O ATOM 385 CB ALA A 27 72.549 -32.933 7.501 1.00 32.20 C ATOM 0 H ALA A 27 72.184 -35.322 9.182 1.00 23.00 H new ATOM 0 HA ALA A 27 74.375 -34.022 7.746 1.00 50.04 H new ATOM 0 HB1 ALA A 27 73.040 -31.962 7.440 1.00 32.20 H new ATOM 0 HB2 ALA A 27 72.383 -33.320 6.495 1.00 32.20 H new ATOM 0 HB3 ALA A 27 71.592 -32.824 8.010 1.00 32.20 H new ATOM 391 N THR A 28 74.621 -32.348 9.712 1.00 43.22 N ATOM 392 CA THR A 28 75.004 -31.727 10.974 1.00 75.31 C ATOM 393 C THR A 28 74.923 -30.207 10.887 1.00 24.44 C ATOM 394 O THR A 28 75.899 -29.545 10.534 1.00 1.30 O ATOM 395 CB THR A 28 76.431 -32.132 11.388 1.00 55.04 C ATOM 396 OG1 THR A 28 76.446 -33.494 11.829 1.00 4.11 O ATOM 397 CG2 THR A 28 76.949 -31.229 12.499 1.00 61.25 C ATOM 0 H THR A 28 75.084 -31.957 8.892 1.00 43.22 H new ATOM 0 HA THR A 28 74.301 -32.082 11.727 1.00 75.31 H new ATOM 0 HB THR A 28 77.081 -32.024 10.520 1.00 55.04 H new ATOM 0 HG1 THR A 28 77.357 -33.744 12.089 1.00 4.11 H new ATOM 0 HG21 THR A 28 77.958 -31.534 12.775 1.00 61.25 H new ATOM 0 HG22 THR A 28 76.964 -30.196 12.151 1.00 61.25 H new ATOM 0 HG23 THR A 28 76.296 -31.309 13.368 1.00 61.25 H new ATOM 405 N ILE A 29 73.756 -29.662 11.209 1.00 21.00 N ATOM 406 CA ILE A 29 73.550 -28.220 11.168 1.00 53.24 C ATOM 407 C ILE A 29 74.734 -27.477 11.778 1.00 34.25 C ATOM 408 O ILE A 29 75.229 -27.844 12.845 1.00 62.14 O ATOM 409 CB ILE A 29 72.265 -27.813 11.913 1.00 52.45 C ATOM 410 CG1 ILE A 29 72.039 -28.724 13.121 1.00 34.34 C ATOM 411 CG2 ILE A 29 71.069 -27.864 10.974 1.00 64.01 C ATOM 412 CD1 ILE A 29 70.886 -28.292 13.998 1.00 72.52 C ATOM 0 H ILE A 29 72.938 -30.197 11.501 1.00 21.00 H new ATOM 0 HA ILE A 29 73.454 -27.946 10.117 1.00 53.24 H new ATOM 0 HB ILE A 29 72.379 -26.789 12.270 1.00 52.45 H new ATOM 0 HG12 ILE A 29 71.857 -29.740 12.770 1.00 34.34 H new ATOM 0 HG13 ILE A 29 72.949 -28.752 13.720 1.00 34.34 H new ATOM 0 HG21 ILE A 29 70.169 -27.574 11.515 1.00 64.01 H new ATOM 0 HG22 ILE A 29 71.230 -27.178 10.143 1.00 64.01 H new ATOM 0 HG23 ILE A 29 70.951 -28.877 10.590 1.00 64.01 H new ATOM 0 HD11 ILE A 29 70.785 -28.984 14.834 1.00 72.52 H new ATOM 0 HD12 ILE A 29 71.075 -27.288 14.379 1.00 72.52 H new ATOM 0 HD13 ILE A 29 69.965 -28.292 13.415 1.00 72.52 H new ATOM 424 N THR A 30 75.185 -26.430 11.094 1.00 15.01 N ATOM 425 CA THR A 30 76.311 -25.635 11.569 1.00 1.12 C ATOM 426 C THR A 30 76.261 -24.220 11.004 1.00 54.21 C ATOM 427 O THR A 30 76.681 -23.978 9.873 1.00 64.34 O ATOM 428 CB THR A 30 77.656 -26.282 11.186 1.00 43.22 C ATOM 429 OG1 THR A 30 77.677 -27.652 11.600 1.00 52.32 O ATOM 430 CG2 THR A 30 78.817 -25.535 11.825 1.00 72.12 C ATOM 0 H THR A 30 74.788 -26.113 10.210 1.00 15.01 H new ATOM 0 HA THR A 30 76.233 -25.592 12.655 1.00 1.12 H new ATOM 0 HB THR A 30 77.763 -26.230 10.103 1.00 43.22 H new ATOM 0 HG1 THR A 30 78.605 -27.964 11.651 1.00 52.32 H new ATOM 0 HG21 THR A 30 79.756 -26.010 11.540 1.00 72.12 H new ATOM 0 HG22 THR A 30 78.816 -24.500 11.483 1.00 72.12 H new ATOM 0 HG23 THR A 30 78.712 -25.559 12.910 1.00 72.12 H new ATOM 438 N SER A 31 75.747 -23.289 11.801 1.00 44.05 N ATOM 439 CA SER A 31 75.640 -21.897 11.378 1.00 63.05 C ATOM 440 C SER A 31 76.112 -20.956 12.482 1.00 32.34 C ATOM 441 O SER A 31 75.314 -20.246 13.093 1.00 3.04 O ATOM 442 CB SER A 31 74.195 -21.567 10.996 1.00 14.34 C ATOM 443 OG SER A 31 73.344 -21.619 12.128 1.00 71.43 O ATOM 0 H SER A 31 75.398 -23.473 12.742 1.00 44.05 H new ATOM 0 HA SER A 31 76.280 -21.758 10.507 1.00 63.05 H new ATOM 0 HB2 SER A 31 74.151 -20.574 10.550 1.00 14.34 H new ATOM 0 HB3 SER A 31 73.845 -22.271 10.241 1.00 14.34 H new ATOM 0 HG SER A 31 72.451 -21.916 11.853 1.00 71.43 H new ATOM 449 N GLY A 32 77.418 -20.958 12.734 1.00 74.11 N ATOM 450 CA GLY A 32 77.976 -20.101 13.764 1.00 34.34 C ATOM 451 C GLY A 32 79.481 -20.240 13.881 1.00 43.44 C ATOM 452 O GLY A 32 80.074 -21.149 13.299 1.00 52.45 O ATOM 0 H GLY A 32 78.099 -21.538 12.243 1.00 74.11 H new ATOM 0 HA2 GLY A 32 77.726 -19.063 13.544 1.00 34.34 H new ATOM 0 HA3 GLY A 32 77.516 -20.343 14.722 1.00 34.34 H new ATOM 456 N GLU A 33 80.101 -19.335 14.632 1.00 11.13 N ATOM 457 CA GLU A 33 81.547 -19.359 14.819 1.00 74.32 C ATOM 458 C GLU A 33 82.023 -20.759 15.198 1.00 43.10 C ATOM 459 O GLU A 33 83.181 -21.111 14.976 1.00 34.45 O ATOM 460 CB GLU A 33 81.960 -18.357 15.900 1.00 33.52 C ATOM 461 CG GLU A 33 81.402 -18.682 17.276 1.00 63.41 C ATOM 462 CD GLU A 33 81.839 -17.686 18.331 1.00 52.22 C ATOM 463 OE1 GLU A 33 83.024 -17.294 18.325 1.00 4.34 O ATOM 464 OE2 GLU A 33 80.994 -17.297 19.166 1.00 12.34 O ATOM 0 H GLU A 33 79.625 -18.577 15.120 1.00 11.13 H new ATOM 0 HA GLU A 33 82.015 -19.078 13.876 1.00 74.32 H new ATOM 0 HB2 GLU A 33 83.048 -18.324 15.957 1.00 33.52 H new ATOM 0 HB3 GLU A 33 81.626 -17.361 15.608 1.00 33.52 H new ATOM 0 HG2 GLU A 33 80.313 -18.700 17.228 1.00 63.41 H new ATOM 0 HG3 GLU A 33 81.725 -19.681 17.569 1.00 63.41 H new ATOM 471 N GLN A 34 81.121 -21.549 15.770 1.00 33.31 N ATOM 472 CA GLN A 34 81.449 -22.909 16.182 1.00 23.10 C ATOM 473 C GLN A 34 80.207 -23.645 16.671 1.00 34.11 C ATOM 474 O GLN A 34 79.820 -23.525 17.834 1.00 21.11 O ATOM 475 CB GLN A 34 82.512 -22.890 17.282 1.00 64.31 C ATOM 476 CG GLN A 34 82.757 -24.250 17.915 1.00 53.11 C ATOM 477 CD GLN A 34 84.142 -24.372 18.520 1.00 64.23 C ATOM 478 OE1 GLN A 34 84.903 -23.405 18.554 1.00 2.40 O ATOM 479 NE2 GLN A 34 84.475 -25.563 19.000 1.00 13.10 N ATOM 0 H GLN A 34 80.158 -21.271 15.959 1.00 33.31 H new ATOM 0 HA GLN A 34 81.844 -23.438 15.315 1.00 23.10 H new ATOM 0 HB2 GLN A 34 83.448 -22.519 16.865 1.00 64.31 H new ATOM 0 HB3 GLN A 34 82.208 -22.187 18.058 1.00 64.31 H new ATOM 0 HG2 GLN A 34 82.010 -24.426 18.689 1.00 53.11 H new ATOM 0 HG3 GLN A 34 82.624 -25.026 17.161 1.00 53.11 H new ATOM 0 HE21 GLN A 34 83.812 -26.336 18.950 1.00 13.10 H new ATOM 0 HE22 GLN A 34 85.394 -25.705 19.419 1.00 13.10 H new ATOM 488 N SER A 35 79.585 -24.407 15.776 1.00 51.13 N ATOM 489 CA SER A 35 78.383 -25.158 16.117 1.00 23.43 C ATOM 490 C SER A 35 78.356 -26.499 15.389 1.00 22.15 C ATOM 491 O SER A 35 79.108 -26.718 14.439 1.00 73.34 O ATOM 492 CB SER A 35 77.133 -24.349 15.764 1.00 33.12 C ATOM 493 OG SER A 35 76.738 -23.524 16.847 1.00 23.42 O ATOM 0 H SER A 35 79.894 -24.520 14.810 1.00 51.13 H new ATOM 0 HA SER A 35 78.394 -25.346 17.191 1.00 23.43 H new ATOM 0 HB2 SER A 35 77.330 -23.733 14.886 1.00 33.12 H new ATOM 0 HB3 SER A 35 76.320 -25.026 15.502 1.00 33.12 H new ATOM 0 HG SER A 35 77.518 -23.318 17.403 1.00 23.42 H new ATOM 499 N GLY A 36 77.485 -27.395 15.842 1.00 72.41 N ATOM 500 CA GLY A 36 77.376 -28.704 15.224 1.00 62.14 C ATOM 501 C GLY A 36 76.334 -29.577 15.894 1.00 70.14 C ATOM 502 O GLY A 36 76.643 -30.317 16.827 1.00 34.52 O ATOM 0 H GLY A 36 76.852 -27.238 16.626 1.00 72.41 H new ATOM 0 HA2 GLY A 36 77.123 -28.585 14.171 1.00 62.14 H new ATOM 0 HA3 GLY A 36 78.344 -29.203 15.265 1.00 62.14 H new ATOM 506 N ALA A 37 75.095 -29.489 15.420 1.00 2.43 N ATOM 507 CA ALA A 37 74.005 -30.278 15.979 1.00 1.20 C ATOM 508 C ALA A 37 73.563 -31.369 15.009 1.00 53.44 C ATOM 509 O ALA A 37 74.213 -31.610 13.992 1.00 33.41 O ATOM 510 CB ALA A 37 72.832 -29.377 16.336 1.00 20.24 C ATOM 0 H ALA A 37 74.822 -28.879 14.650 1.00 2.43 H new ATOM 0 HA ALA A 37 74.366 -30.762 16.886 1.00 1.20 H new ATOM 0 HB1 ALA A 37 72.024 -29.979 16.753 1.00 20.24 H new ATOM 0 HB2 ALA A 37 73.151 -28.639 17.072 1.00 20.24 H new ATOM 0 HB3 ALA A 37 72.479 -28.867 15.440 1.00 20.24 H new ATOM 516 N VAL A 38 72.453 -32.025 15.332 1.00 31.54 N ATOM 517 CA VAL A 38 71.923 -33.090 14.489 1.00 30.25 C ATOM 518 C VAL A 38 70.804 -32.576 13.592 1.00 75.54 C ATOM 519 O VAL A 38 69.780 -32.090 14.077 1.00 11.13 O ATOM 520 CB VAL A 38 71.393 -34.264 15.334 1.00 73.22 C ATOM 521 CG1 VAL A 38 70.898 -35.388 14.437 1.00 22.42 C ATOM 522 CG2 VAL A 38 72.469 -34.765 16.286 1.00 24.13 C ATOM 0 H VAL A 38 71.904 -31.838 16.171 1.00 31.54 H new ATOM 0 HA VAL A 38 72.747 -33.442 13.869 1.00 30.25 H new ATOM 0 HB VAL A 38 70.551 -33.909 15.929 1.00 73.22 H new ATOM 0 HG11 VAL A 38 70.528 -36.208 15.052 1.00 22.42 H new ATOM 0 HG12 VAL A 38 70.093 -35.019 13.802 1.00 22.42 H new ATOM 0 HG13 VAL A 38 71.718 -35.744 13.813 1.00 22.42 H new ATOM 0 HG21 VAL A 38 72.077 -35.594 16.875 1.00 24.13 H new ATOM 0 HG22 VAL A 38 73.333 -35.103 15.713 1.00 24.13 H new ATOM 0 HG23 VAL A 38 72.770 -33.957 16.953 1.00 24.13 H new ATOM 532 N ILE A 39 71.002 -32.687 12.283 1.00 12.23 N ATOM 533 CA ILE A 39 70.007 -32.235 11.319 1.00 65.11 C ATOM 534 C ILE A 39 69.852 -33.235 10.178 1.00 3.42 C ATOM 535 O ILE A 39 70.799 -33.938 9.823 1.00 54.12 O ATOM 536 CB ILE A 39 70.375 -30.858 10.734 1.00 35.13 C ATOM 537 CG1 ILE A 39 69.196 -30.282 9.948 1.00 4.31 C ATOM 538 CG2 ILE A 39 71.606 -30.971 9.847 1.00 53.40 C ATOM 539 CD1 ILE A 39 69.349 -30.412 8.448 1.00 71.10 C ATOM 0 H ILE A 39 71.843 -33.086 11.866 1.00 12.23 H new ATOM 0 HA ILE A 39 69.062 -32.152 11.856 1.00 65.11 H new ATOM 0 HB ILE A 39 70.605 -30.180 11.556 1.00 35.13 H new ATOM 0 HG12 ILE A 39 68.282 -30.788 10.257 1.00 4.31 H new ATOM 0 HG13 ILE A 39 69.079 -29.229 10.203 1.00 4.31 H new ATOM 0 HG21 ILE A 39 71.853 -29.990 9.441 1.00 53.40 H new ATOM 0 HG22 ILE A 39 72.445 -31.343 10.435 1.00 53.40 H new ATOM 0 HG23 ILE A 39 71.403 -31.661 9.028 1.00 53.40 H new ATOM 0 HD11 ILE A 39 68.477 -29.983 7.955 1.00 71.10 H new ATOM 0 HD12 ILE A 39 70.245 -29.882 8.126 1.00 71.10 H new ATOM 0 HD13 ILE A 39 69.435 -31.465 8.181 1.00 71.10 H new ATOM 551 N ARG A 40 68.655 -33.290 9.605 1.00 55.41 N ATOM 552 CA ARG A 40 68.377 -34.203 8.503 1.00 30.25 C ATOM 553 C ARG A 40 68.201 -33.439 7.195 1.00 72.45 C ATOM 554 O ARG A 40 67.079 -33.187 6.757 1.00 75.23 O ATOM 555 CB ARG A 40 67.121 -35.025 8.799 1.00 34.43 C ATOM 556 CG ARG A 40 67.235 -35.885 10.047 1.00 31.20 C ATOM 557 CD ARG A 40 66.558 -37.233 9.859 1.00 73.24 C ATOM 558 NE ARG A 40 66.175 -37.836 11.133 1.00 54.42 N ATOM 559 CZ ARG A 40 67.033 -38.439 11.948 1.00 75.32 C ATOM 560 NH1 ARG A 40 68.316 -38.519 11.624 1.00 54.24 N ATOM 561 NH2 ARG A 40 66.608 -38.963 13.092 1.00 2.24 N ATOM 0 H ARG A 40 67.862 -32.713 9.885 1.00 55.41 H new ATOM 0 HA ARG A 40 69.228 -34.876 8.398 1.00 30.25 H new ATOM 0 HB2 ARG A 40 66.273 -34.349 8.910 1.00 34.43 H new ATOM 0 HB3 ARG A 40 66.907 -35.667 7.944 1.00 34.43 H new ATOM 0 HG2 ARG A 40 68.287 -36.036 10.291 1.00 31.20 H new ATOM 0 HG3 ARG A 40 66.783 -35.364 10.891 1.00 31.20 H new ATOM 0 HD2 ARG A 40 65.672 -37.110 9.236 1.00 73.24 H new ATOM 0 HD3 ARG A 40 67.231 -37.906 9.327 1.00 73.24 H new ATOM 0 HE ARG A 40 65.195 -37.792 11.412 1.00 54.42 H new ATOM 0 HH11 ARG A 40 68.647 -38.117 10.747 1.00 54.24 H new ATOM 0 HH12 ARG A 40 68.973 -38.983 12.252 1.00 54.24 H new ATOM 0 HH21 ARG A 40 65.622 -38.903 13.345 1.00 2.24 H new ATOM 0 HH22 ARG A 40 67.268 -39.426 13.717 1.00 2.24 H new ATOM 575 N GLY A 41 69.318 -33.072 6.575 1.00 42.43 N ATOM 576 CA GLY A 41 69.266 -32.338 5.323 1.00 21.11 C ATOM 577 C GLY A 41 70.216 -32.898 4.283 1.00 21.44 C ATOM 578 O GLY A 41 71.332 -33.304 4.606 1.00 12.32 O ATOM 0 H GLY A 41 70.258 -33.270 6.917 1.00 42.43 H new ATOM 0 HA2 GLY A 41 68.249 -32.363 4.932 1.00 21.11 H new ATOM 0 HA3 GLY A 41 69.510 -31.292 5.508 1.00 21.11 H new ATOM 582 N VAL A 42 69.771 -32.923 3.030 1.00 73.01 N ATOM 583 CA VAL A 42 70.589 -33.439 1.939 1.00 55.41 C ATOM 584 C VAL A 42 70.748 -32.401 0.833 1.00 73.20 C ATOM 585 O VAL A 42 69.796 -31.703 0.481 1.00 55.42 O ATOM 586 CB VAL A 42 69.982 -34.721 1.341 1.00 22.15 C ATOM 587 CG1 VAL A 42 69.320 -34.427 0.004 1.00 43.30 C ATOM 588 CG2 VAL A 42 71.050 -35.795 1.190 1.00 35.10 C ATOM 0 H VAL A 42 68.849 -32.592 2.746 1.00 73.01 H new ATOM 0 HA VAL A 42 71.568 -33.671 2.359 1.00 55.41 H new ATOM 0 HB VAL A 42 69.218 -35.092 2.024 1.00 22.15 H new ATOM 0 HG11 VAL A 42 68.897 -35.346 -0.402 1.00 43.30 H new ATOM 0 HG12 VAL A 42 68.526 -33.693 0.145 1.00 43.30 H new ATOM 0 HG13 VAL A 42 70.061 -34.031 -0.690 1.00 43.30 H new ATOM 0 HG21 VAL A 42 70.604 -36.695 0.766 1.00 35.10 H new ATOM 0 HG22 VAL A 42 71.838 -35.434 0.529 1.00 35.10 H new ATOM 0 HG23 VAL A 42 71.474 -36.026 2.167 1.00 35.10 H new ATOM 598 N PHE A 43 71.956 -32.304 0.289 1.00 21.44 N ATOM 599 CA PHE A 43 72.240 -31.351 -0.778 1.00 11.01 C ATOM 600 C PHE A 43 72.134 -32.019 -2.146 1.00 1.54 C ATOM 601 O PHE A 43 72.684 -33.098 -2.366 1.00 13.43 O ATOM 602 CB PHE A 43 73.635 -30.752 -0.596 1.00 3.53 C ATOM 603 CG PHE A 43 74.720 -31.545 -1.265 1.00 2.54 C ATOM 604 CD1 PHE A 43 75.087 -32.790 -0.780 1.00 31.45 C ATOM 605 CD2 PHE A 43 75.375 -31.046 -2.380 1.00 51.40 C ATOM 606 CE1 PHE A 43 76.086 -33.522 -1.395 1.00 54.10 C ATOM 607 CE2 PHE A 43 76.374 -31.773 -2.998 1.00 4.25 C ATOM 608 CZ PHE A 43 76.729 -33.013 -2.506 1.00 13.13 C ATOM 0 H PHE A 43 72.754 -32.874 0.569 1.00 21.44 H new ATOM 0 HA PHE A 43 71.500 -30.552 -0.726 1.00 11.01 H new ATOM 0 HB2 PHE A 43 73.640 -29.737 -0.993 1.00 3.53 H new ATOM 0 HB3 PHE A 43 73.854 -30.679 0.469 1.00 3.53 H new ATOM 0 HD1 PHE A 43 74.587 -33.193 0.088 1.00 31.45 H new ATOM 0 HD2 PHE A 43 75.101 -30.077 -2.770 1.00 51.40 H new ATOM 0 HE1 PHE A 43 76.363 -34.491 -1.007 1.00 54.10 H new ATOM 0 HE2 PHE A 43 76.877 -31.372 -3.865 1.00 4.25 H new ATOM 0 HZ PHE A 43 77.508 -33.584 -2.989 1.00 13.13 H new ATOM 618 N ASP A 44 71.425 -31.368 -3.062 1.00 33.11 N ATOM 619 CA ASP A 44 71.248 -31.897 -4.409 1.00 32.04 C ATOM 620 C ASP A 44 71.924 -30.998 -5.440 1.00 14.10 C ATOM 621 O ASP A 44 71.643 -29.802 -5.512 1.00 41.02 O ATOM 622 CB ASP A 44 69.760 -32.038 -4.734 1.00 52.33 C ATOM 623 CG ASP A 44 69.516 -32.824 -6.006 1.00 22.21 C ATOM 624 OD1 ASP A 44 69.663 -32.241 -7.101 1.00 34.32 O ATOM 625 OD2 ASP A 44 69.178 -34.022 -5.907 1.00 22.44 O ATOM 0 H ASP A 44 70.964 -30.473 -2.896 1.00 33.11 H new ATOM 0 HA ASP A 44 71.715 -32.881 -4.450 1.00 32.04 H new ATOM 0 HB2 ASP A 44 69.255 -32.531 -3.903 1.00 52.33 H new ATOM 0 HB3 ASP A 44 69.317 -31.047 -4.833 1.00 52.33 H new ATOM 630 N ASP A 45 72.815 -31.582 -6.233 1.00 42.10 N ATOM 631 CA ASP A 45 73.531 -30.833 -7.259 1.00 65.43 C ATOM 632 C ASP A 45 72.991 -31.162 -8.647 1.00 3.02 C ATOM 633 O ASP A 45 72.460 -32.245 -8.893 1.00 35.41 O ATOM 634 CB ASP A 45 75.027 -31.141 -7.194 1.00 4.45 C ATOM 635 CG ASP A 45 75.846 -29.942 -6.756 1.00 14.24 C ATOM 636 OD1 ASP A 45 75.736 -29.548 -5.576 1.00 12.34 O ATOM 637 OD2 ASP A 45 76.597 -29.397 -7.593 1.00 61.51 O ATOM 0 H ASP A 45 73.059 -32.571 -6.185 1.00 42.10 H new ATOM 0 HA ASP A 45 73.379 -29.770 -7.072 1.00 65.43 H new ATOM 0 HB2 ASP A 45 75.196 -31.965 -6.501 1.00 4.45 H new ATOM 0 HB3 ASP A 45 75.370 -31.473 -8.174 1.00 4.45 H new ATOM 877 N PRO A 63 72.941 -25.871 -4.684 1.00 30.30 N ATOM 878 CA PRO A 63 72.245 -27.162 -4.661 1.00 0.32 C ATOM 879 C PRO A 63 70.885 -27.076 -3.978 1.00 61.14 C ATOM 880 O PRO A 63 70.461 -26.001 -3.553 1.00 73.33 O ATOM 881 CB PRO A 63 73.190 -28.059 -3.858 1.00 33.11 C ATOM 882 CG PRO A 63 73.962 -27.121 -2.997 1.00 15.43 C ATOM 883 CD PRO A 63 74.114 -25.856 -3.794 1.00 60.13 C ATOM 0 HA PRO A 63 72.035 -27.530 -5.665 1.00 0.32 H new ATOM 0 HB2 PRO A 63 72.636 -28.782 -3.259 1.00 33.11 H new ATOM 0 HB3 PRO A 63 73.849 -28.628 -4.514 1.00 33.11 H new ATOM 0 HG2 PRO A 63 73.439 -26.931 -2.060 1.00 15.43 H new ATOM 0 HG3 PRO A 63 74.935 -27.539 -2.739 1.00 15.43 H new ATOM 0 HD2 PRO A 63 74.120 -24.975 -3.152 1.00 60.13 H new ATOM 0 HD3 PRO A 63 75.047 -25.846 -4.358 1.00 60.13 H new ATOM 891 N SER A 64 70.205 -28.214 -3.877 1.00 10.50 N ATOM 892 CA SER A 64 68.891 -28.265 -3.248 1.00 61.34 C ATOM 893 C SER A 64 68.973 -28.914 -1.870 1.00 74.35 C ATOM 894 O SER A 64 69.836 -29.755 -1.616 1.00 24.53 O ATOM 895 CB SER A 64 67.910 -29.039 -4.131 1.00 3.14 C ATOM 896 OG SER A 64 66.600 -28.510 -4.023 1.00 23.22 O ATOM 0 H SER A 64 70.543 -29.112 -4.223 1.00 10.50 H new ATOM 0 HA SER A 64 68.533 -27.243 -3.128 1.00 61.34 H new ATOM 0 HB2 SER A 64 68.239 -28.996 -5.169 1.00 3.14 H new ATOM 0 HB3 SER A 64 67.906 -30.090 -3.841 1.00 3.14 H new ATOM 0 HG SER A 64 65.993 -29.021 -4.598 1.00 23.22 H new ATOM 902 N LEU A 65 68.067 -28.517 -0.981 1.00 10.33 N ATOM 903 CA LEU A 65 68.035 -29.059 0.373 1.00 3.43 C ATOM 904 C LEU A 65 66.771 -29.879 0.602 1.00 22.23 C ATOM 905 O LEU A 65 65.683 -29.498 0.166 1.00 14.34 O ATOM 906 CB LEU A 65 68.115 -27.926 1.398 1.00 11.15 C ATOM 907 CG LEU A 65 68.386 -28.347 2.844 1.00 64.12 C ATOM 908 CD1 LEU A 65 67.129 -28.928 3.474 1.00 50.43 C ATOM 909 CD2 LEU A 65 69.528 -29.351 2.901 1.00 35.31 C ATOM 0 H LEU A 65 67.346 -27.822 -1.174 1.00 10.33 H new ATOM 0 HA LEU A 65 68.897 -29.714 0.496 1.00 3.43 H new ATOM 0 HB2 LEU A 65 68.901 -27.237 1.088 1.00 11.15 H new ATOM 0 HB3 LEU A 65 67.177 -27.372 1.372 1.00 11.15 H new ATOM 0 HG LEU A 65 68.677 -27.464 3.412 1.00 64.12 H new ATOM 0 HD11 LEU A 65 67.340 -29.222 4.502 1.00 50.43 H new ATOM 0 HD12 LEU A 65 66.338 -28.178 3.466 1.00 50.43 H new ATOM 0 HD13 LEU A 65 66.807 -29.801 2.906 1.00 50.43 H new ATOM 0 HD21 LEU A 65 69.707 -29.640 3.937 1.00 35.31 H new ATOM 0 HD22 LEU A 65 69.266 -30.234 2.318 1.00 35.31 H new ATOM 0 HD23 LEU A 65 70.430 -28.899 2.489 1.00 35.31 H new ATOM 921 N PHE A 66 66.919 -31.007 1.288 1.00 74.31 N ATOM 922 CA PHE A 66 65.788 -31.881 1.577 1.00 44.21 C ATOM 923 C PHE A 66 65.603 -32.053 3.081 1.00 43.14 C ATOM 924 O PHE A 66 66.375 -32.751 3.738 1.00 44.40 O ATOM 925 CB PHE A 66 65.991 -33.247 0.918 1.00 4.35 C ATOM 926 CG PHE A 66 64.711 -33.895 0.475 1.00 33.30 C ATOM 927 CD1 PHE A 66 63.994 -34.707 1.340 1.00 24.14 C ATOM 928 CD2 PHE A 66 64.223 -33.694 -0.807 1.00 54.34 C ATOM 929 CE1 PHE A 66 62.815 -35.304 0.936 1.00 31.03 C ATOM 930 CE2 PHE A 66 63.045 -34.289 -1.215 1.00 63.45 C ATOM 931 CZ PHE A 66 62.341 -35.097 -0.344 1.00 42.44 C ATOM 0 H PHE A 66 67.812 -31.338 1.654 1.00 74.31 H new ATOM 0 HA PHE A 66 64.890 -31.417 1.169 1.00 44.21 H new ATOM 0 HB2 PHE A 66 66.648 -33.131 0.056 1.00 4.35 H new ATOM 0 HB3 PHE A 66 66.500 -33.908 1.620 1.00 4.35 H new ATOM 0 HD1 PHE A 66 64.361 -34.875 2.342 1.00 24.14 H new ATOM 0 HD2 PHE A 66 64.770 -33.065 -1.494 1.00 54.34 H new ATOM 0 HE1 PHE A 66 62.265 -35.932 1.621 1.00 31.03 H new ATOM 0 HE2 PHE A 66 62.674 -34.122 -2.216 1.00 63.45 H new ATOM 0 HZ PHE A 66 61.422 -35.566 -0.663 1.00 42.44 H new ATOM 941 N VAL A 67 64.572 -31.410 3.622 1.00 62.32 N ATOM 942 CA VAL A 67 64.284 -31.491 5.048 1.00 70.43 C ATOM 943 C VAL A 67 62.780 -31.494 5.306 1.00 13.44 C ATOM 944 O VAL A 67 61.992 -31.100 4.446 1.00 5.43 O ATOM 945 CB VAL A 67 64.923 -30.320 5.818 1.00 64.10 C ATOM 946 CG1 VAL A 67 64.214 -29.015 5.490 1.00 64.42 C ATOM 947 CG2 VAL A 67 64.897 -30.590 7.315 1.00 42.13 C ATOM 0 H VAL A 67 63.923 -30.827 3.093 1.00 62.32 H new ATOM 0 HA VAL A 67 64.713 -32.427 5.404 1.00 70.43 H new ATOM 0 HB VAL A 67 65.964 -30.228 5.507 1.00 64.10 H new ATOM 0 HG11 VAL A 67 64.679 -28.199 6.043 1.00 64.42 H new ATOM 0 HG12 VAL A 67 64.290 -28.818 4.421 1.00 64.42 H new ATOM 0 HG13 VAL A 67 63.164 -29.091 5.771 1.00 64.42 H new ATOM 0 HG21 VAL A 67 65.352 -29.753 7.844 1.00 42.13 H new ATOM 0 HG22 VAL A 67 63.865 -30.710 7.645 1.00 42.13 H new ATOM 0 HG23 VAL A 67 65.455 -31.501 7.530 1.00 42.13 H new ATOM 957 N ARG A 68 62.391 -31.940 6.495 1.00 33.43 N ATOM 958 CA ARG A 68 60.981 -31.995 6.867 1.00 5.30 C ATOM 959 C ARG A 68 60.580 -30.757 7.662 1.00 43.44 C ATOM 960 O ARG A 68 61.373 -30.219 8.437 1.00 50.01 O ATOM 961 CB ARG A 68 60.697 -33.255 7.686 1.00 62.34 C ATOM 962 CG ARG A 68 59.664 -33.048 8.782 1.00 22.34 C ATOM 963 CD ARG A 68 59.178 -34.374 9.346 1.00 40.20 C ATOM 964 NE ARG A 68 58.505 -35.186 8.335 1.00 51.31 N ATOM 965 CZ ARG A 68 57.641 -36.152 8.625 1.00 25.33 C ATOM 966 NH1 ARG A 68 57.345 -36.425 9.887 1.00 60.51 N ATOM 967 NH2 ARG A 68 57.070 -36.847 7.648 1.00 32.02 N ATOM 0 H ARG A 68 63.031 -32.269 7.218 1.00 33.43 H new ATOM 0 HA ARG A 68 60.390 -32.024 5.952 1.00 5.30 H new ATOM 0 HB2 ARG A 68 60.352 -34.043 7.017 1.00 62.34 H new ATOM 0 HB3 ARG A 68 61.627 -33.603 8.136 1.00 62.34 H new ATOM 0 HG2 ARG A 68 60.096 -32.447 9.582 1.00 22.34 H new ATOM 0 HG3 ARG A 68 58.817 -32.488 8.385 1.00 22.34 H new ATOM 0 HD2 ARG A 68 60.025 -34.928 9.751 1.00 40.20 H new ATOM 0 HD3 ARG A 68 58.495 -34.187 10.174 1.00 40.20 H new ATOM 0 HE ARG A 68 58.710 -35.001 7.353 1.00 51.31 H new ATOM 0 HH11 ARG A 68 57.781 -35.893 10.640 1.00 60.51 H new ATOM 0 HH12 ARG A 68 56.681 -37.168 10.106 1.00 60.51 H new ATOM 0 HH21 ARG A 68 57.295 -36.639 6.675 1.00 32.02 H new ATOM 0 HH22 ARG A 68 56.406 -37.589 7.870 1.00 32.02 H new ATOM 981 N THR A 69 59.345 -30.307 7.465 1.00 12.23 N ATOM 982 CA THR A 69 58.839 -29.132 8.163 1.00 42.21 C ATOM 983 C THR A 69 59.296 -29.115 9.617 1.00 22.15 C ATOM 984 O THR A 69 59.741 -28.087 10.126 1.00 74.22 O ATOM 985 CB THR A 69 57.301 -29.072 8.120 1.00 72.13 C ATOM 986 OG1 THR A 69 56.827 -28.012 8.960 1.00 22.02 O ATOM 987 CG2 THR A 69 56.695 -30.392 8.571 1.00 72.13 C ATOM 0 H THR A 69 58.676 -30.739 6.827 1.00 12.23 H new ATOM 0 HA THR A 69 59.244 -28.261 7.648 1.00 42.21 H new ATOM 0 HB THR A 69 56.996 -28.883 7.091 1.00 72.13 H new ATOM 0 HG1 THR A 69 55.848 -27.980 8.925 1.00 22.02 H new ATOM 0 HG21 THR A 69 55.608 -30.325 8.532 1.00 72.13 H new ATOM 0 HG22 THR A 69 57.033 -31.192 7.912 1.00 72.13 H new ATOM 0 HG23 THR A 69 57.009 -30.606 9.593 1.00 72.13 H new ATOM 995 N ASP A 70 59.185 -30.261 10.280 1.00 4.15 N ATOM 996 CA ASP A 70 59.589 -30.379 11.675 1.00 14.32 C ATOM 997 C ASP A 70 61.097 -30.194 11.823 1.00 72.24 C ATOM 998 O ASP A 70 61.555 -29.359 12.602 1.00 31.40 O ATOM 999 CB ASP A 70 59.174 -31.741 12.236 1.00 65.02 C ATOM 1000 CG ASP A 70 57.677 -31.846 12.452 1.00 63.43 C ATOM 1001 OD1 ASP A 70 56.960 -32.172 11.483 1.00 23.13 O ATOM 1002 OD2 ASP A 70 57.223 -31.600 13.589 1.00 21.41 O ATOM 0 H ASP A 70 58.818 -31.121 9.873 1.00 4.15 H new ATOM 0 HA ASP A 70 59.087 -29.593 12.239 1.00 14.32 H new ATOM 0 HB2 ASP A 70 59.495 -32.526 11.551 1.00 65.02 H new ATOM 0 HB3 ASP A 70 59.688 -31.913 13.182 1.00 65.02 H new ATOM 1007 N GLU A 71 61.861 -30.979 11.069 1.00 43.41 N ATOM 1008 CA GLU A 71 63.316 -30.900 11.119 1.00 24.52 C ATOM 1009 C GLU A 71 63.792 -29.470 10.880 1.00 14.24 C ATOM 1010 O GLU A 71 64.738 -29.005 11.518 1.00 33.30 O ATOM 1011 CB GLU A 71 63.934 -31.836 10.076 1.00 70.13 C ATOM 1012 CG GLU A 71 64.114 -33.261 10.570 1.00 22.43 C ATOM 1013 CD GLU A 71 62.926 -33.755 11.372 1.00 51.10 C ATOM 1014 OE1 GLU A 71 61.816 -33.830 10.805 1.00 50.43 O ATOM 1015 OE2 GLU A 71 63.107 -34.067 12.568 1.00 62.01 O ATOM 0 H GLU A 71 61.497 -31.675 10.418 1.00 43.41 H new ATOM 0 HA GLU A 71 63.638 -31.210 12.113 1.00 24.52 H new ATOM 0 HB2 GLU A 71 63.302 -31.845 9.188 1.00 70.13 H new ATOM 0 HB3 GLU A 71 64.903 -31.440 9.773 1.00 70.13 H new ATOM 0 HG2 GLU A 71 64.271 -33.920 9.716 1.00 22.43 H new ATOM 0 HG3 GLU A 71 65.012 -33.317 11.185 1.00 22.43 H new ATOM 1022 N VAL A 72 63.132 -28.778 9.958 1.00 5.15 N ATOM 1023 CA VAL A 72 63.487 -27.402 9.635 1.00 64.21 C ATOM 1024 C VAL A 72 62.860 -26.426 10.625 1.00 65.23 C ATOM 1025 O VAL A 72 63.358 -25.317 10.819 1.00 43.21 O ATOM 1026 CB VAL A 72 63.042 -27.026 8.209 1.00 71.43 C ATOM 1027 CG1 VAL A 72 61.525 -26.941 8.128 1.00 1.45 C ATOM 1028 CG2 VAL A 72 63.682 -25.715 7.779 1.00 52.43 C ATOM 0 H VAL A 72 62.348 -29.148 9.421 1.00 5.15 H new ATOM 0 HA VAL A 72 64.573 -27.333 9.698 1.00 64.21 H new ATOM 0 HB VAL A 72 63.375 -27.807 7.525 1.00 71.43 H new ATOM 0 HG11 VAL A 72 61.229 -26.674 7.113 1.00 1.45 H new ATOM 0 HG12 VAL A 72 61.092 -27.906 8.390 1.00 1.45 H new ATOM 0 HG13 VAL A 72 61.166 -26.181 8.822 1.00 1.45 H new ATOM 0 HG21 VAL A 72 63.356 -25.465 6.769 1.00 52.43 H new ATOM 0 HG22 VAL A 72 63.382 -24.922 8.464 1.00 52.43 H new ATOM 0 HG23 VAL A 72 64.767 -25.817 7.795 1.00 52.43 H new ATOM 1038 N ARG A 73 61.765 -26.847 11.249 1.00 23.41 N ATOM 1039 CA ARG A 73 61.069 -26.011 12.219 1.00 63.45 C ATOM 1040 C ARG A 73 61.953 -25.733 13.431 1.00 14.33 C ATOM 1041 O ARG A 73 61.930 -24.636 13.989 1.00 14.22 O ATOM 1042 CB ARG A 73 59.770 -26.683 12.665 1.00 53.01 C ATOM 1043 CG ARG A 73 59.077 -25.969 13.814 1.00 43.23 C ATOM 1044 CD ARG A 73 57.838 -26.721 14.272 1.00 63.43 C ATOM 1045 NE ARG A 73 56.975 -25.895 15.112 1.00 55.03 N ATOM 1046 CZ ARG A 73 55.719 -26.209 15.409 1.00 31.03 C ATOM 1047 NH1 ARG A 73 55.181 -27.325 14.937 1.00 4.12 N ATOM 1048 NH2 ARG A 73 54.997 -25.406 16.181 1.00 12.33 N ATOM 0 H ARG A 73 61.341 -27.762 11.100 1.00 23.41 H new ATOM 0 HA ARG A 73 60.832 -25.062 11.739 1.00 63.45 H new ATOM 0 HB2 ARG A 73 59.088 -26.735 11.816 1.00 53.01 H new ATOM 0 HB3 ARG A 73 59.986 -27.709 12.963 1.00 53.01 H new ATOM 0 HG2 ARG A 73 59.770 -25.864 14.649 1.00 43.23 H new ATOM 0 HG3 ARG A 73 58.798 -24.962 13.503 1.00 43.23 H new ATOM 0 HD2 ARG A 73 57.278 -27.061 13.401 1.00 63.43 H new ATOM 0 HD3 ARG A 73 58.138 -27.611 14.825 1.00 63.43 H new ATOM 0 HE ARG A 73 57.358 -25.029 15.492 1.00 55.03 H new ATOM 0 HH11 ARG A 73 55.732 -27.946 14.344 1.00 4.12 H new ATOM 0 HH12 ARG A 73 54.216 -27.563 15.167 1.00 4.12 H new ATOM 0 HH21 ARG A 73 55.407 -24.547 16.547 1.00 12.33 H new ATOM 0 HH22 ARG A 73 54.033 -25.648 16.408 1.00 12.33 H new ATOM 1062 N GLN A 74 62.730 -26.734 13.832 1.00 3.41 N ATOM 1063 CA GLN A 74 63.621 -26.597 14.979 1.00 25.32 C ATOM 1064 C GLN A 74 64.744 -25.609 14.680 1.00 54.43 C ATOM 1065 O GLN A 74 65.482 -25.202 15.580 1.00 22.50 O ATOM 1066 CB GLN A 74 64.209 -27.957 15.359 1.00 40.11 C ATOM 1067 CG GLN A 74 63.470 -28.643 16.497 1.00 53.24 C ATOM 1068 CD GLN A 74 63.419 -27.795 17.753 1.00 71.31 C ATOM 1069 OE1 GLN A 74 64.446 -27.522 18.374 1.00 51.41 O ATOM 1070 NE2 GLN A 74 62.218 -27.375 18.135 1.00 1.34 N ATOM 0 H GLN A 74 62.761 -27.648 13.380 1.00 3.41 H new ATOM 0 HA GLN A 74 63.039 -26.214 15.817 1.00 25.32 H new ATOM 0 HB2 GLN A 74 64.195 -28.607 14.484 1.00 40.11 H new ATOM 0 HB3 GLN A 74 65.253 -27.826 15.642 1.00 40.11 H new ATOM 0 HG2 GLN A 74 62.454 -28.875 16.178 1.00 53.24 H new ATOM 0 HG3 GLN A 74 63.958 -29.591 16.723 1.00 53.24 H new ATOM 0 HE21 GLN A 74 61.393 -27.625 17.590 1.00 1.34 H new ATOM 0 HE22 GLN A 74 62.121 -26.802 18.973 1.00 1.34 H new ATOM 1079 N LEU A 75 64.868 -25.227 13.415 1.00 44.15 N ATOM 1080 CA LEU A 75 65.902 -24.286 12.999 1.00 4.01 C ATOM 1081 C LEU A 75 65.314 -22.897 12.766 1.00 21.30 C ATOM 1082 O LEU A 75 64.125 -22.671 12.992 1.00 55.33 O ATOM 1083 CB LEU A 75 66.587 -24.781 11.723 1.00 33.52 C ATOM 1084 CG LEU A 75 67.575 -25.936 11.898 1.00 43.14 C ATOM 1085 CD1 LEU A 75 66.842 -27.215 12.268 1.00 52.13 C ATOM 1086 CD2 LEU A 75 68.391 -26.135 10.629 1.00 64.33 C ATOM 0 H LEU A 75 64.266 -25.554 12.659 1.00 44.15 H new ATOM 0 HA LEU A 75 66.640 -24.219 13.799 1.00 4.01 H new ATOM 0 HB2 LEU A 75 65.816 -25.092 11.018 1.00 33.52 H new ATOM 0 HB3 LEU A 75 67.115 -23.943 11.269 1.00 33.52 H new ATOM 0 HG LEU A 75 68.257 -25.685 12.710 1.00 43.14 H new ATOM 0 HD11 LEU A 75 67.561 -28.025 12.388 1.00 52.13 H new ATOM 0 HD12 LEU A 75 66.302 -27.067 13.203 1.00 52.13 H new ATOM 0 HD13 LEU A 75 66.136 -27.471 11.478 1.00 52.13 H new ATOM 0 HD21 LEU A 75 69.089 -26.960 10.771 1.00 64.33 H new ATOM 0 HD22 LEU A 75 67.723 -26.363 9.799 1.00 64.33 H new ATOM 0 HD23 LEU A 75 68.947 -25.224 10.407 1.00 64.33 H new ATOM 1098 N ARG A 76 66.153 -21.973 12.311 1.00 14.13 N ATOM 1099 CA ARG A 76 65.716 -20.608 12.048 1.00 40.00 C ATOM 1100 C ARG A 76 66.012 -20.211 10.605 1.00 25.52 C ATOM 1101 O ARG A 76 66.970 -20.695 10.002 1.00 24.33 O ATOM 1102 CB ARG A 76 66.405 -19.634 13.006 1.00 34.11 C ATOM 1103 CG ARG A 76 66.341 -18.185 12.553 1.00 41.12 C ATOM 1104 CD ARG A 76 66.662 -17.231 13.693 1.00 54.21 C ATOM 1105 NE ARG A 76 65.456 -16.771 14.378 1.00 15.25 N ATOM 1106 CZ ARG A 76 65.471 -16.121 15.537 1.00 5.05 C ATOM 1107 NH1 ARG A 76 66.624 -15.854 16.135 1.00 61.20 N ATOM 1108 NH2 ARG A 76 64.333 -15.736 16.097 1.00 3.20 N ATOM 0 H ARG A 76 67.139 -22.145 12.117 1.00 14.13 H new ATOM 0 HA ARG A 76 64.639 -20.562 12.207 1.00 40.00 H new ATOM 0 HB2 ARG A 76 65.944 -19.719 13.990 1.00 34.11 H new ATOM 0 HB3 ARG A 76 67.450 -19.925 13.117 1.00 34.11 H new ATOM 0 HG2 ARG A 76 67.044 -18.027 11.735 1.00 41.12 H new ATOM 0 HG3 ARG A 76 65.346 -17.968 12.164 1.00 41.12 H new ATOM 0 HD2 ARG A 76 67.318 -17.728 14.408 1.00 54.21 H new ATOM 0 HD3 ARG A 76 67.208 -16.372 13.304 1.00 54.21 H new ATOM 0 HE ARG A 76 64.553 -16.959 13.943 1.00 15.25 H new ATOM 0 HH11 ARG A 76 67.501 -16.148 15.705 1.00 61.20 H new ATOM 0 HH12 ARG A 76 66.634 -15.355 17.025 1.00 61.20 H new ATOM 0 HH21 ARG A 76 63.445 -15.939 15.638 1.00 3.20 H new ATOM 0 HH22 ARG A 76 64.346 -15.237 16.987 1.00 3.20 H new ATOM 1122 N ARG A 77 65.183 -19.329 10.057 1.00 23.02 N ATOM 1123 CA ARG A 77 65.355 -18.869 8.684 1.00 30.53 C ATOM 1124 C ARG A 77 66.789 -18.410 8.439 1.00 32.31 C ATOM 1125 O ARG A 77 67.194 -17.340 8.890 1.00 13.24 O ATOM 1126 CB ARG A 77 64.383 -17.727 8.381 1.00 42.34 C ATOM 1127 CG ARG A 77 64.445 -16.592 9.390 1.00 61.53 C ATOM 1128 CD ARG A 77 64.705 -15.256 8.710 1.00 15.11 C ATOM 1129 NE ARG A 77 65.331 -14.295 9.614 1.00 60.20 N ATOM 1130 CZ ARG A 77 64.679 -13.673 10.590 1.00 50.34 C ATOM 1131 NH1 ARG A 77 63.390 -13.910 10.787 1.00 55.42 N ATOM 1132 NH2 ARG A 77 65.318 -12.811 11.371 1.00 54.43 N ATOM 0 H ARG A 77 64.385 -18.918 10.543 1.00 23.02 H new ATOM 0 HA ARG A 77 65.142 -19.705 8.018 1.00 30.53 H new ATOM 0 HB2 ARG A 77 64.598 -17.332 7.388 1.00 42.34 H new ATOM 0 HB3 ARG A 77 63.368 -18.123 8.354 1.00 42.34 H new ATOM 0 HG2 ARG A 77 63.507 -16.544 9.943 1.00 61.53 H new ATOM 0 HG3 ARG A 77 65.233 -16.792 10.116 1.00 61.53 H new ATOM 0 HD2 ARG A 77 65.347 -15.409 7.843 1.00 15.11 H new ATOM 0 HD3 ARG A 77 63.764 -14.847 8.342 1.00 15.11 H new ATOM 0 HE ARG A 77 66.322 -14.090 9.489 1.00 60.20 H new ATOM 0 HH11 ARG A 77 62.896 -14.572 10.188 1.00 55.42 H new ATOM 0 HH12 ARG A 77 62.892 -13.431 11.537 1.00 55.42 H new ATOM 0 HH21 ARG A 77 66.310 -12.626 11.222 1.00 54.43 H new ATOM 0 HH22 ARG A 77 64.817 -12.333 12.120 1.00 54.43 H new ATOM 1146 N GLY A 78 67.553 -19.229 7.723 1.00 1.13 N ATOM 1147 CA GLY A 78 68.934 -18.890 7.431 1.00 51.32 C ATOM 1148 C GLY A 78 69.915 -19.833 8.099 1.00 41.41 C ATOM 1149 O GLY A 78 71.104 -19.529 8.207 1.00 64.55 O ATOM 0 H GLY A 78 67.241 -20.121 7.340 1.00 1.13 H new ATOM 0 HA2 GLY A 78 69.090 -18.912 6.352 1.00 51.32 H new ATOM 0 HA3 GLY A 78 69.132 -17.870 7.761 1.00 51.32 H new ATOM 1153 N ASP A 79 69.419 -20.979 8.550 1.00 61.33 N ATOM 1154 CA ASP A 79 70.260 -21.970 9.212 1.00 53.34 C ATOM 1155 C ASP A 79 71.037 -22.792 8.190 1.00 25.02 C ATOM 1156 O ASP A 79 70.474 -23.649 7.508 1.00 43.33 O ATOM 1157 CB ASP A 79 69.408 -22.891 10.086 1.00 32.24 C ATOM 1158 CG ASP A 79 69.908 -22.958 11.516 1.00 23.01 C ATOM 1159 OD1 ASP A 79 71.140 -23.016 11.711 1.00 73.12 O ATOM 1160 OD2 ASP A 79 69.067 -22.952 12.440 1.00 23.24 O ATOM 0 H ASP A 79 68.438 -21.246 8.469 1.00 61.33 H new ATOM 0 HA ASP A 79 70.974 -21.442 9.844 1.00 53.34 H new ATOM 0 HB2 ASP A 79 68.376 -22.540 10.081 1.00 32.24 H new ATOM 0 HB3 ASP A 79 69.405 -23.893 9.658 1.00 32.24 H new ATOM 1165 N THR A 80 72.336 -22.526 8.087 1.00 21.43 N ATOM 1166 CA THR A 80 73.190 -23.240 7.147 1.00 13.25 C ATOM 1167 C THR A 80 73.702 -24.543 7.749 1.00 14.25 C ATOM 1168 O THR A 80 74.525 -24.535 8.666 1.00 4.20 O ATOM 1169 CB THR A 80 74.393 -22.380 6.717 1.00 5.13 C ATOM 1170 OG1 THR A 80 75.393 -23.205 6.108 1.00 12.34 O ATOM 1171 CG2 THR A 80 74.989 -21.648 7.909 1.00 10.50 C ATOM 0 H THR A 80 72.819 -21.821 8.644 1.00 21.43 H new ATOM 0 HA THR A 80 72.579 -23.462 6.272 1.00 13.25 H new ATOM 0 HB THR A 80 74.044 -21.641 5.995 1.00 5.13 H new ATOM 0 HG1 THR A 80 75.863 -22.693 5.417 1.00 12.34 H new ATOM 0 HG21 THR A 80 75.837 -21.047 7.580 1.00 10.50 H new ATOM 0 HG22 THR A 80 74.234 -20.998 8.352 1.00 10.50 H new ATOM 0 HG23 THR A 80 75.324 -22.373 8.651 1.00 10.50 H new ATOM 1179 N LEU A 81 73.211 -25.663 7.229 1.00 40.30 N ATOM 1180 CA LEU A 81 73.620 -26.976 7.715 1.00 61.32 C ATOM 1181 C LEU A 81 74.729 -27.558 6.846 1.00 3.32 C ATOM 1182 O LEU A 81 74.637 -27.556 5.618 1.00 12.23 O ATOM 1183 CB LEU A 81 72.422 -27.928 7.738 1.00 23.10 C ATOM 1184 CG LEU A 81 71.511 -27.889 6.511 1.00 71.51 C ATOM 1185 CD1 LEU A 81 71.305 -29.289 5.953 1.00 34.55 C ATOM 1186 CD2 LEU A 81 70.174 -27.251 6.860 1.00 24.33 C ATOM 0 H LEU A 81 72.529 -25.688 6.471 1.00 40.30 H new ATOM 0 HA LEU A 81 74.003 -26.858 8.729 1.00 61.32 H new ATOM 0 HB2 LEU A 81 72.794 -28.946 7.857 1.00 23.10 H new ATOM 0 HB3 LEU A 81 71.821 -27.703 8.619 1.00 23.10 H new ATOM 0 HG LEU A 81 71.993 -27.282 5.744 1.00 71.51 H new ATOM 0 HD11 LEU A 81 70.654 -29.241 5.080 1.00 34.55 H new ATOM 0 HD12 LEU A 81 72.268 -29.711 5.665 1.00 34.55 H new ATOM 0 HD13 LEU A 81 70.846 -29.920 6.714 1.00 34.55 H new ATOM 0 HD21 LEU A 81 69.538 -27.231 5.975 1.00 24.33 H new ATOM 0 HD22 LEU A 81 69.687 -27.832 7.644 1.00 24.33 H new ATOM 0 HD23 LEU A 81 70.338 -26.232 7.212 1.00 24.33 H new ATOM 1198 N THR A 82 75.780 -28.057 7.491 1.00 62.33 N ATOM 1199 CA THR A 82 76.907 -28.643 6.778 1.00 51.22 C ATOM 1200 C THR A 82 76.745 -30.151 6.637 1.00 21.03 C ATOM 1201 O THR A 82 76.975 -30.901 7.586 1.00 72.10 O ATOM 1202 CB THR A 82 78.239 -28.345 7.493 1.00 22.45 C ATOM 1203 OG1 THR A 82 79.305 -29.065 6.862 1.00 31.23 O ATOM 1204 CG2 THR A 82 78.162 -28.729 8.963 1.00 2.22 C ATOM 0 H THR A 82 75.873 -28.066 8.507 1.00 62.33 H new ATOM 0 HA THR A 82 76.925 -28.189 5.787 1.00 51.22 H new ATOM 0 HB THR A 82 78.432 -27.275 7.423 1.00 22.45 H new ATOM 0 HG1 THR A 82 80.148 -28.869 7.321 1.00 31.23 H new ATOM 0 HG21 THR A 82 79.114 -28.509 9.447 1.00 2.22 H new ATOM 0 HG22 THR A 82 77.369 -28.159 9.447 1.00 2.22 H new ATOM 0 HG23 THR A 82 77.948 -29.794 9.050 1.00 2.22 H new ATOM 1212 N ILE A 83 76.349 -30.590 5.447 1.00 35.21 N ATOM 1213 CA ILE A 83 76.157 -32.011 5.182 1.00 63.02 C ATOM 1214 C ILE A 83 76.697 -32.391 3.808 1.00 23.13 C ATOM 1215 O ILE A 83 76.410 -31.730 2.811 1.00 73.43 O ATOM 1216 CB ILE A 83 74.671 -32.404 5.265 1.00 63.21 C ATOM 1217 CG1 ILE A 83 74.248 -33.152 3.999 1.00 71.52 C ATOM 1218 CG2 ILE A 83 73.807 -31.168 5.469 1.00 33.03 C ATOM 1219 CD1 ILE A 83 73.761 -32.243 2.893 1.00 4.23 C ATOM 0 H ILE A 83 76.155 -29.982 4.651 1.00 35.21 H new ATOM 0 HA ILE A 83 76.710 -32.553 5.949 1.00 63.02 H new ATOM 0 HB ILE A 83 74.532 -33.066 6.120 1.00 63.21 H new ATOM 0 HG12 ILE A 83 75.092 -33.736 3.633 1.00 71.52 H new ATOM 0 HG13 ILE A 83 73.458 -33.859 4.252 1.00 71.52 H new ATOM 0 HG21 ILE A 83 72.759 -31.462 5.526 1.00 33.03 H new ATOM 0 HG22 ILE A 83 74.095 -30.671 6.396 1.00 33.03 H new ATOM 0 HG23 ILE A 83 73.947 -30.484 4.632 1.00 33.03 H new ATOM 0 HD11 ILE A 83 73.478 -32.842 2.027 1.00 4.23 H new ATOM 0 HD12 ILE A 83 72.896 -31.678 3.241 1.00 4.23 H new ATOM 0 HD13 ILE A 83 74.557 -31.553 2.612 1.00 4.23 H new ATOM 1231 N GLY A 84 77.481 -33.465 3.762 1.00 61.15 N ATOM 1232 CA GLY A 84 78.048 -33.916 2.505 1.00 65.42 C ATOM 1233 C GLY A 84 79.188 -33.035 2.033 1.00 33.42 C ATOM 1234 O GLY A 84 80.279 -33.525 1.746 1.00 22.35 O ATOM 0 H GLY A 84 77.733 -34.030 4.573 1.00 61.15 H new ATOM 0 HA2 GLY A 84 78.407 -34.939 2.618 1.00 65.42 H new ATOM 0 HA3 GLY A 84 77.268 -33.934 1.744 1.00 65.42 H new ATOM 1238 N GLU A 85 78.934 -31.734 1.951 1.00 50.15 N ATOM 1239 CA GLU A 85 79.949 -30.784 1.508 1.00 74.23 C ATOM 1240 C GLU A 85 80.275 -29.783 2.612 1.00 0.30 C ATOM 1241 O GLU A 85 81.257 -29.941 3.337 1.00 13.02 O ATOM 1242 CB GLU A 85 79.474 -30.044 0.257 1.00 71.14 C ATOM 1243 CG GLU A 85 79.983 -30.651 -1.040 1.00 13.20 C ATOM 1244 CD GLU A 85 81.495 -30.621 -1.143 1.00 0.14 C ATOM 1245 OE1 GLU A 85 82.144 -31.563 -0.640 1.00 62.44 O ATOM 1246 OE2 GLU A 85 82.031 -29.656 -1.727 1.00 3.32 O ATOM 0 H GLU A 85 78.035 -31.313 2.185 1.00 50.15 H new ATOM 0 HA GLU A 85 80.854 -31.342 1.269 1.00 74.23 H new ATOM 0 HB2 GLU A 85 78.384 -30.036 0.242 1.00 71.14 H new ATOM 0 HB3 GLU A 85 79.799 -29.005 0.314 1.00 71.14 H new ATOM 0 HG2 GLU A 85 79.638 -31.682 -1.114 1.00 13.20 H new ATOM 0 HG3 GLU A 85 79.554 -30.110 -1.883 1.00 13.20 H new ATOM 1253 N GLU A 86 79.445 -28.752 2.732 1.00 41.14 N ATOM 1254 CA GLU A 86 79.646 -27.723 3.747 1.00 30.32 C ATOM 1255 C GLU A 86 78.313 -27.129 4.192 1.00 60.21 C ATOM 1256 O GLU A 86 77.308 -27.239 3.491 1.00 75.34 O ATOM 1257 CB GLU A 86 80.555 -26.617 3.209 1.00 13.33 C ATOM 1258 CG GLU A 86 81.835 -27.135 2.574 1.00 22.12 C ATOM 1259 CD GLU A 86 81.644 -27.541 1.126 1.00 22.13 C ATOM 1260 OE1 GLU A 86 81.075 -26.741 0.354 1.00 72.31 O ATOM 1261 OE2 GLU A 86 82.065 -28.661 0.763 1.00 71.45 O ATOM 0 H GLU A 86 78.627 -28.606 2.140 1.00 41.14 H new ATOM 0 HA GLU A 86 80.122 -28.188 4.610 1.00 30.32 H new ATOM 0 HB2 GLU A 86 80.005 -26.033 2.472 1.00 13.33 H new ATOM 0 HB3 GLU A 86 80.812 -25.941 4.024 1.00 13.33 H new ATOM 0 HG2 GLU A 86 82.603 -26.364 2.633 1.00 22.12 H new ATOM 0 HG3 GLU A 86 82.198 -27.991 3.143 1.00 22.12 H new ATOM 1268 N ASN A 87 78.313 -26.499 5.362 1.00 15.35 N ATOM 1269 CA ASN A 87 77.104 -25.889 5.902 1.00 73.04 C ATOM 1270 C ASN A 87 76.444 -24.981 4.868 1.00 31.04 C ATOM 1271 O ASN A 87 77.070 -24.057 4.349 1.00 3.11 O ATOM 1272 CB ASN A 87 77.432 -25.089 7.164 1.00 13.12 C ATOM 1273 CG ASN A 87 78.694 -24.262 7.014 1.00 5.22 C ATOM 1274 OD1 ASN A 87 78.639 -23.081 6.667 1.00 32.52 O ATOM 1275 ND2 ASN A 87 79.840 -24.880 7.273 1.00 55.43 N ATOM 0 H ASN A 87 79.137 -26.398 5.954 1.00 15.35 H new ATOM 0 HA ASN A 87 76.407 -26.687 6.156 1.00 73.04 H new ATOM 0 HB2 ASN A 87 76.596 -24.431 7.401 1.00 13.12 H new ATOM 0 HB3 ASN A 87 77.547 -25.773 8.005 1.00 13.12 H new ATOM 0 HD21 ASN A 87 80.722 -24.375 7.188 1.00 55.43 H new ATOM 0 HD22 ASN A 87 79.838 -25.860 7.558 1.00 55.43 H new ATOM 1282 N PHE A 88 75.177 -25.251 4.574 1.00 63.01 N ATOM 1283 CA PHE A 88 74.432 -24.460 3.602 1.00 40.32 C ATOM 1284 C PHE A 88 73.070 -24.057 4.158 1.00 74.13 C ATOM 1285 O PHE A 88 72.237 -24.910 4.468 1.00 1.25 O ATOM 1286 CB PHE A 88 74.254 -25.246 2.302 1.00 71.01 C ATOM 1287 CG PHE A 88 75.539 -25.790 1.749 1.00 34.23 C ATOM 1288 CD1 PHE A 88 76.692 -25.021 1.751 1.00 72.42 C ATOM 1289 CD2 PHE A 88 75.596 -27.073 1.226 1.00 1.01 C ATOM 1290 CE1 PHE A 88 77.876 -25.518 1.243 1.00 32.24 C ATOM 1291 CE2 PHE A 88 76.779 -27.577 0.718 1.00 64.40 C ATOM 1292 CZ PHE A 88 77.920 -26.799 0.725 1.00 40.14 C ATOM 0 H PHE A 88 74.644 -26.012 4.995 1.00 63.01 H new ATOM 0 HA PHE A 88 75.002 -23.554 3.395 1.00 40.32 H new ATOM 0 HB2 PHE A 88 73.565 -26.072 2.478 1.00 71.01 H new ATOM 0 HB3 PHE A 88 73.792 -24.599 1.556 1.00 71.01 H new ATOM 0 HD1 PHE A 88 76.664 -24.020 2.155 1.00 72.42 H new ATOM 0 HD2 PHE A 88 74.706 -27.685 1.215 1.00 1.01 H new ATOM 0 HE1 PHE A 88 78.766 -24.907 1.250 1.00 32.24 H new ATOM 0 HE2 PHE A 88 76.811 -28.579 0.316 1.00 64.40 H new ATOM 0 HZ PHE A 88 78.844 -27.190 0.327 1.00 40.14 H new ATOM 1302 N TRP A 89 72.850 -22.754 4.282 1.00 22.20 N ATOM 1303 CA TRP A 89 71.588 -22.237 4.802 1.00 21.44 C ATOM 1304 C TRP A 89 70.523 -22.205 3.710 1.00 53.24 C ATOM 1305 O TRP A 89 70.785 -21.775 2.586 1.00 55.33 O ATOM 1306 CB TRP A 89 71.786 -20.836 5.380 1.00 3.32 C ATOM 1307 CG TRP A 89 72.461 -19.891 4.432 1.00 23.25 C ATOM 1308 CD1 TRP A 89 73.797 -19.617 4.360 1.00 13.23 C ATOM 1309 CD2 TRP A 89 71.832 -19.097 3.421 1.00 42.00 C ATOM 1310 NE1 TRP A 89 74.036 -18.699 3.366 1.00 11.41 N ATOM 1311 CE2 TRP A 89 72.847 -18.365 2.774 1.00 65.30 C ATOM 1312 CE3 TRP A 89 70.510 -18.933 2.998 1.00 24.55 C ATOM 1313 CZ2 TRP A 89 72.579 -17.484 1.729 1.00 50.40 C ATOM 1314 CZ3 TRP A 89 70.246 -18.059 1.961 1.00 41.40 C ATOM 1315 CH2 TRP A 89 71.275 -17.343 1.336 1.00 1.55 C ATOM 0 H TRP A 89 73.528 -22.035 4.030 1.00 22.20 H new ATOM 0 HA TRP A 89 71.250 -22.904 5.595 1.00 21.44 H new ATOM 0 HB2 TRP A 89 70.816 -20.426 5.660 1.00 3.32 H new ATOM 0 HB3 TRP A 89 72.378 -20.908 6.293 1.00 3.32 H new ATOM 0 HD1 TRP A 89 74.554 -20.057 4.992 1.00 13.23 H new ATOM 0 HE1 TRP A 89 74.951 -18.327 3.110 1.00 11.41 H new ATOM 0 HE3 TRP A 89 69.709 -19.480 3.473 1.00 24.55 H new ATOM 0 HZ2 TRP A 89 73.372 -16.932 1.246 1.00 50.40 H new ATOM 0 HZ3 TRP A 89 69.228 -17.925 1.626 1.00 41.40 H new ATOM 0 HH2 TRP A 89 71.035 -16.667 0.529 1.00 1.55 H new ATOM 1326 N VAL A 90 69.321 -22.661 4.049 1.00 5.53 N ATOM 1327 CA VAL A 90 68.216 -22.682 3.098 1.00 5.42 C ATOM 1328 C VAL A 90 67.398 -21.399 3.178 1.00 74.41 C ATOM 1329 O VAL A 90 67.098 -20.909 4.268 1.00 41.15 O ATOM 1330 CB VAL A 90 67.288 -23.887 3.343 1.00 52.42 C ATOM 1331 CG1 VAL A 90 66.398 -23.638 4.551 1.00 61.10 C ATOM 1332 CG2 VAL A 90 66.453 -24.176 2.105 1.00 64.11 C ATOM 0 H VAL A 90 69.088 -23.021 4.975 1.00 5.53 H new ATOM 0 HA VAL A 90 68.655 -22.767 2.104 1.00 5.42 H new ATOM 0 HB VAL A 90 67.904 -24.762 3.550 1.00 52.42 H new ATOM 0 HG11 VAL A 90 65.749 -24.500 4.709 1.00 61.10 H new ATOM 0 HG12 VAL A 90 67.018 -23.484 5.434 1.00 61.10 H new ATOM 0 HG13 VAL A 90 65.788 -22.752 4.377 1.00 61.10 H new ATOM 0 HG21 VAL A 90 65.803 -25.030 2.296 1.00 64.11 H new ATOM 0 HG22 VAL A 90 65.845 -23.304 1.865 1.00 64.11 H new ATOM 0 HG23 VAL A 90 67.112 -24.401 1.266 1.00 64.11 H new ATOM 1342 N ASP A 91 67.037 -20.860 2.019 1.00 43.14 N ATOM 1343 CA ASP A 91 66.250 -19.634 1.958 1.00 43.41 C ATOM 1344 C ASP A 91 64.879 -19.835 2.594 1.00 50.12 C ATOM 1345 O ASP A 91 64.608 -19.329 3.683 1.00 20.23 O ATOM 1346 CB ASP A 91 66.091 -19.177 0.507 1.00 62.44 C ATOM 1347 CG ASP A 91 66.337 -17.690 0.338 1.00 23.11 C ATOM 1348 OD1 ASP A 91 65.438 -16.897 0.685 1.00 42.21 O ATOM 1349 OD2 ASP A 91 67.430 -17.321 -0.144 1.00 71.42 O ATOM 0 H ASP A 91 67.277 -21.253 1.109 1.00 43.14 H new ATOM 0 HA ASP A 91 66.780 -18.863 2.518 1.00 43.41 H new ATOM 0 HB2 ASP A 91 66.786 -19.731 -0.124 1.00 62.44 H new ATOM 0 HB3 ASP A 91 65.086 -19.418 0.161 1.00 62.44 H new ATOM 1354 N ARG A 92 64.016 -20.577 1.906 1.00 12.34 N ATOM 1355 CA ARG A 92 62.672 -20.844 2.404 1.00 61.22 C ATOM 1356 C ARG A 92 62.081 -22.082 1.736 1.00 43.15 C ATOM 1357 O ARG A 92 61.941 -22.134 0.514 1.00 25.45 O ATOM 1358 CB ARG A 92 61.765 -19.636 2.156 1.00 55.21 C ATOM 1359 CG ARG A 92 60.321 -19.864 2.573 1.00 14.43 C ATOM 1360 CD ARG A 92 59.630 -18.555 2.923 1.00 30.15 C ATOM 1361 NE ARG A 92 59.679 -18.276 4.356 1.00 33.41 N ATOM 1362 CZ ARG A 92 58.873 -18.849 5.244 1.00 2.24 C ATOM 1363 NH1 ARG A 92 57.963 -19.728 4.848 1.00 31.31 N ATOM 1364 NH2 ARG A 92 58.979 -18.544 6.531 1.00 72.04 N ATOM 0 H ARG A 92 64.224 -21.003 1.003 1.00 12.34 H new ATOM 0 HA ARG A 92 62.738 -21.027 3.476 1.00 61.22 H new ATOM 0 HB2 ARG A 92 62.160 -18.778 2.699 1.00 55.21 H new ATOM 0 HB3 ARG A 92 61.793 -19.383 1.096 1.00 55.21 H new ATOM 0 HG2 ARG A 92 59.781 -20.357 1.765 1.00 14.43 H new ATOM 0 HG3 ARG A 92 60.290 -20.534 3.432 1.00 14.43 H new ATOM 0 HD2 ARG A 92 60.104 -17.738 2.378 1.00 30.15 H new ATOM 0 HD3 ARG A 92 58.591 -18.595 2.597 1.00 30.15 H new ATOM 0 HE ARG A 92 60.369 -17.605 4.693 1.00 33.41 H new ATOM 0 HH11 ARG A 92 57.880 -19.966 3.860 1.00 31.31 H new ATOM 0 HH12 ARG A 92 57.346 -20.166 5.532 1.00 31.31 H new ATOM 0 HH21 ARG A 92 59.679 -17.869 6.839 1.00 72.04 H new ATOM 0 HH22 ARG A 92 58.360 -18.984 7.212 1.00 72.04 H new ATOM 1378 N VAL A 93 61.736 -23.077 2.546 1.00 31.21 N ATOM 1379 CA VAL A 93 61.160 -24.315 2.035 1.00 33.01 C ATOM 1380 C VAL A 93 59.699 -24.455 2.452 1.00 24.05 C ATOM 1381 O VAL A 93 59.353 -24.250 3.614 1.00 73.30 O ATOM 1382 CB VAL A 93 61.944 -25.545 2.530 1.00 30.41 C ATOM 1383 CG1 VAL A 93 63.404 -25.450 2.117 1.00 2.52 C ATOM 1384 CG2 VAL A 93 61.816 -25.686 4.039 1.00 72.11 C ATOM 0 H VAL A 93 61.845 -23.050 3.560 1.00 31.21 H new ATOM 0 HA VAL A 93 61.222 -24.268 0.948 1.00 33.01 H new ATOM 0 HB VAL A 93 61.518 -26.435 2.067 1.00 30.41 H new ATOM 0 HG11 VAL A 93 63.941 -26.328 2.476 1.00 2.52 H new ATOM 0 HG12 VAL A 93 63.472 -25.402 1.030 1.00 2.52 H new ATOM 0 HG13 VAL A 93 63.847 -24.552 2.549 1.00 2.52 H new ATOM 0 HG21 VAL A 93 62.376 -26.560 4.372 1.00 72.11 H new ATOM 0 HG22 VAL A 93 62.214 -24.794 4.523 1.00 72.11 H new ATOM 0 HG23 VAL A 93 60.766 -25.805 4.306 1.00 72.11 H new ATOM 1394 N SER A 94 58.848 -24.806 1.493 1.00 64.13 N ATOM 1395 CA SER A 94 57.424 -24.969 1.759 1.00 32.34 C ATOM 1396 C SER A 94 56.943 -26.347 1.313 1.00 75.12 C ATOM 1397 O SER A 94 56.696 -26.595 0.133 1.00 61.33 O ATOM 1398 CB SER A 94 56.620 -23.881 1.044 1.00 3.33 C ATOM 1399 OG SER A 94 55.242 -24.205 1.008 1.00 13.21 O ATOM 0 H SER A 94 59.120 -24.983 0.526 1.00 64.13 H new ATOM 0 HA SER A 94 57.269 -24.878 2.834 1.00 32.34 H new ATOM 0 HB2 SER A 94 56.759 -22.928 1.554 1.00 3.33 H new ATOM 0 HB3 SER A 94 56.994 -23.757 0.028 1.00 3.33 H new ATOM 0 HG SER A 94 54.751 -23.493 0.547 1.00 13.21 H new ATOM 1405 N PRO A 95 56.808 -27.268 2.281 1.00 43.43 N ATOM 1406 CA PRO A 95 56.356 -28.635 2.013 1.00 33.43 C ATOM 1407 C PRO A 95 54.885 -28.693 1.618 1.00 30.23 C ATOM 1408 O PRO A 95 54.163 -27.701 1.726 1.00 34.11 O ATOM 1409 CB PRO A 95 56.579 -29.350 3.349 1.00 53.03 C ATOM 1410 CG PRO A 95 56.521 -28.268 4.371 1.00 75.32 C ATOM 1411 CD PRO A 95 57.086 -27.042 3.708 1.00 55.22 C ATOM 0 HA PRO A 95 56.892 -29.085 1.177 1.00 33.43 H new ATOM 0 HB2 PRO A 95 55.813 -30.104 3.527 1.00 53.03 H new ATOM 0 HB3 PRO A 95 57.541 -29.862 3.368 1.00 53.03 H new ATOM 0 HG2 PRO A 95 55.496 -28.097 4.700 1.00 75.32 H new ATOM 0 HG3 PRO A 95 57.099 -28.535 5.255 1.00 75.32 H new ATOM 0 HD2 PRO A 95 56.608 -26.132 4.071 1.00 55.22 H new ATOM 0 HD3 PRO A 95 58.154 -26.939 3.898 1.00 55.22 H new ATOM 1419 N ASP A 96 54.446 -29.860 1.159 1.00 20.25 N ATOM 1420 CA ASP A 96 53.059 -30.047 0.748 1.00 22.40 C ATOM 1421 C ASP A 96 52.475 -31.314 1.366 1.00 13.21 C ATOM 1422 O ASP A 96 51.343 -31.696 1.071 1.00 41.03 O ATOM 1423 CB ASP A 96 52.961 -30.118 -0.777 1.00 3.04 C ATOM 1424 CG ASP A 96 53.809 -29.064 -1.460 1.00 3.53 C ATOM 1425 OD1 ASP A 96 53.700 -27.877 -1.086 1.00 74.45 O ATOM 1426 OD2 ASP A 96 54.585 -29.424 -2.371 1.00 34.04 O ATOM 0 H ASP A 96 55.030 -30.690 1.062 1.00 20.25 H new ATOM 0 HA ASP A 96 52.483 -29.192 1.102 1.00 22.40 H new ATOM 0 HB2 ASP A 96 53.275 -31.106 -1.113 1.00 3.04 H new ATOM 0 HB3 ASP A 96 51.921 -29.994 -1.078 1.00 3.04 H new ATOM 1457 N SER A 100 58.015 -32.482 3.805 1.00 54.13 N ATOM 1458 CA SER A 100 58.640 -32.624 2.495 1.00 73.02 C ATOM 1459 C SER A 100 58.965 -31.258 1.897 1.00 74.41 C ATOM 1460 O SER A 100 58.314 -30.813 0.951 1.00 12.33 O ATOM 1461 CB SER A 100 57.722 -33.402 1.551 1.00 24.12 C ATOM 1462 OG SER A 100 58.229 -33.396 0.227 1.00 34.01 O ATOM 0 HA SER A 100 59.571 -33.176 2.621 1.00 73.02 H new ATOM 0 HB2 SER A 100 57.622 -34.429 1.901 1.00 24.12 H new ATOM 0 HB3 SER A 100 56.725 -32.962 1.564 1.00 24.12 H new ATOM 0 HG SER A 100 58.200 -32.484 -0.130 1.00 34.01 H new ATOM 1468 N CYS A 101 59.974 -30.600 2.456 1.00 75.23 N ATOM 1469 CA CYS A 101 60.386 -29.284 1.979 1.00 71.54 C ATOM 1470 C CYS A 101 61.723 -29.364 1.250 1.00 53.22 C ATOM 1471 O CYS A 101 62.561 -30.211 1.561 1.00 63.31 O ATOM 1472 CB CYS A 101 60.484 -28.304 3.149 1.00 2.42 C ATOM 1473 SG CYS A 101 59.812 -28.937 4.703 1.00 11.01 S ATOM 0 H CYS A 101 60.522 -30.955 3.239 1.00 75.23 H new ATOM 0 HA CYS A 101 59.633 -28.925 1.277 1.00 71.54 H new ATOM 0 HB2 CYS A 101 61.530 -28.039 3.300 1.00 2.42 H new ATOM 0 HB3 CYS A 101 59.958 -27.387 2.885 1.00 2.42 H new ATOM 0 HG CYS A 101 60.479 -29.992 5.066 1.00 11.01 H new ATOM 1479 N HIS A 102 61.915 -28.476 0.279 1.00 15.41 N ATOM 1480 CA HIS A 102 63.151 -28.446 -0.494 1.00 24.51 C ATOM 1481 C HIS A 102 63.349 -27.083 -1.149 1.00 3.31 C ATOM 1482 O HIS A 102 62.476 -26.595 -1.868 1.00 0.12 O ATOM 1483 CB HIS A 102 63.135 -29.541 -1.562 1.00 64.04 C ATOM 1484 CG HIS A 102 61.886 -29.553 -2.388 1.00 23.14 C ATOM 1485 ND1 HIS A 102 60.697 -30.094 -1.947 1.00 50.12 N ATOM 1486 CD2 HIS A 102 61.645 -29.085 -3.636 1.00 15.15 C ATOM 1487 CE1 HIS A 102 59.779 -29.959 -2.888 1.00 11.31 C ATOM 1488 NE2 HIS A 102 60.329 -29.350 -3.922 1.00 71.44 N ATOM 0 H HIS A 102 61.231 -27.769 0.009 1.00 15.41 H new ATOM 0 HA HIS A 102 63.982 -28.626 0.188 1.00 24.51 H new ATOM 0 HB2 HIS A 102 63.994 -29.409 -2.219 1.00 64.04 H new ATOM 0 HB3 HIS A 102 63.250 -30.511 -1.078 1.00 64.04 H new ATOM 0 HD2 HIS A 102 62.356 -28.595 -4.285 1.00 15.15 H new ATOM 0 HE1 HIS A 102 58.753 -30.291 -2.822 1.00 11.31 H new ATOM 0 HE2 HIS A 102 59.853 -29.114 -4.793 1.00 71.44 H new ATOM 1496 N LEU A 103 64.501 -26.472 -0.895 1.00 50.23 N ATOM 1497 CA LEU A 103 64.814 -25.164 -1.459 1.00 42.12 C ATOM 1498 C LEU A 103 66.320 -24.987 -1.623 1.00 53.54 C ATOM 1499 O LEU A 103 67.106 -25.519 -0.837 1.00 42.05 O ATOM 1500 CB LEU A 103 64.251 -24.055 -0.568 1.00 5.54 C ATOM 1501 CG LEU A 103 64.196 -22.659 -1.190 1.00 51.34 C ATOM 1502 CD1 LEU A 103 65.588 -22.053 -1.269 1.00 3.53 C ATOM 1503 CD2 LEU A 103 63.556 -22.713 -2.569 1.00 24.33 C ATOM 0 H LEU A 103 65.234 -26.862 -0.302 1.00 50.23 H new ATOM 0 HA LEU A 103 64.351 -25.100 -2.444 1.00 42.12 H new ATOM 0 HB2 LEU A 103 63.242 -24.336 -0.265 1.00 5.54 H new ATOM 0 HB3 LEU A 103 64.853 -24.004 0.339 1.00 5.54 H new ATOM 0 HG LEU A 103 63.582 -22.023 -0.552 1.00 51.34 H new ATOM 0 HD11 LEU A 103 65.528 -21.060 -1.714 1.00 3.53 H new ATOM 0 HD12 LEU A 103 66.009 -21.976 -0.266 1.00 3.53 H new ATOM 0 HD13 LEU A 103 66.227 -22.688 -1.883 1.00 3.53 H new ATOM 0 HD21 LEU A 103 63.526 -21.710 -2.996 1.00 24.33 H new ATOM 0 HD22 LEU A 103 64.142 -23.365 -3.217 1.00 24.33 H new ATOM 0 HD23 LEU A 103 62.541 -23.102 -2.484 1.00 24.33 H new ATOM 1515 N TRP A 104 66.715 -24.236 -2.644 1.00 13.21 N ATOM 1516 CA TRP A 104 68.128 -23.987 -2.907 1.00 24.32 C ATOM 1517 C TRP A 104 68.761 -23.188 -1.774 1.00 51.01 C ATOM 1518 O TRP A 104 68.420 -22.024 -1.555 1.00 1.15 O ATOM 1519 CB TRP A 104 68.296 -23.239 -4.231 1.00 24.54 C ATOM 1520 CG TRP A 104 67.374 -22.066 -4.373 1.00 11.33 C ATOM 1521 CD1 TRP A 104 67.604 -20.788 -3.952 1.00 73.25 C ATOM 1522 CD2 TRP A 104 66.075 -22.065 -4.975 1.00 1.42 C ATOM 1523 NE1 TRP A 104 66.526 -19.992 -4.256 1.00 52.10 N ATOM 1524 CE2 TRP A 104 65.575 -20.751 -4.885 1.00 13.20 C ATOM 1525 CE3 TRP A 104 65.287 -23.045 -5.584 1.00 13.23 C ATOM 1526 CZ2 TRP A 104 64.323 -20.396 -5.380 1.00 41.43 C ATOM 1527 CZ3 TRP A 104 64.044 -22.691 -6.074 1.00 2.42 C ATOM 1528 CH2 TRP A 104 63.573 -21.375 -5.970 1.00 31.40 C ATOM 0 H TRP A 104 66.078 -23.789 -3.303 1.00 13.21 H new ATOM 0 HA TRP A 104 68.635 -24.950 -2.974 1.00 24.32 H new ATOM 0 HB2 TRP A 104 69.326 -22.894 -4.317 1.00 24.54 H new ATOM 0 HB3 TRP A 104 68.122 -23.931 -5.055 1.00 24.54 H new ATOM 0 HD1 TRP A 104 68.501 -20.452 -3.453 1.00 73.25 H new ATOM 0 HE1 TRP A 104 66.447 -18.997 -4.047 1.00 52.10 H new ATOM 0 HE3 TRP A 104 65.643 -24.061 -5.670 1.00 13.23 H new ATOM 0 HZ2 TRP A 104 63.957 -19.383 -5.301 1.00 41.43 H new ATOM 0 HZ3 TRP A 104 63.425 -23.441 -6.545 1.00 2.42 H new ATOM 0 HH2 TRP A 104 62.598 -21.129 -6.364 1.00 31.40 H new ATOM 1539 N LEU A 105 69.684 -23.818 -1.056 1.00 52.15 N ATOM 1540 CA LEU A 105 70.366 -23.164 0.057 1.00 23.41 C ATOM 1541 C LEU A 105 71.663 -22.511 -0.408 1.00 3.14 C ATOM 1542 O LEU A 105 72.181 -22.827 -1.479 1.00 31.42 O ATOM 1543 CB LEU A 105 70.659 -24.175 1.166 1.00 22.12 C ATOM 1544 CG LEU A 105 70.913 -25.614 0.712 1.00 52.31 C ATOM 1545 CD1 LEU A 105 72.100 -25.672 -0.238 1.00 31.30 C ATOM 1546 CD2 LEU A 105 71.145 -26.519 1.914 1.00 65.34 C ATOM 0 H LEU A 105 69.978 -24.780 -1.224 1.00 52.15 H new ATOM 0 HA LEU A 105 69.709 -22.387 0.447 1.00 23.41 H new ATOM 0 HB2 LEU A 105 71.531 -23.831 1.723 1.00 22.12 H new ATOM 0 HB3 LEU A 105 69.818 -24.177 1.860 1.00 22.12 H new ATOM 0 HG LEU A 105 70.030 -25.969 0.180 1.00 52.31 H new ATOM 0 HD11 LEU A 105 72.266 -26.703 -0.550 1.00 31.30 H new ATOM 0 HD12 LEU A 105 71.896 -25.056 -1.114 1.00 31.30 H new ATOM 0 HD13 LEU A 105 72.990 -25.299 0.269 1.00 31.30 H new ATOM 0 HD21 LEU A 105 71.324 -27.539 1.573 1.00 65.34 H new ATOM 0 HD22 LEU A 105 72.012 -26.166 2.473 1.00 65.34 H new ATOM 0 HD23 LEU A 105 70.266 -26.501 2.558 1.00 65.34 H new ATOM 1558 N GLY A 106 72.186 -21.598 0.405 1.00 61.24 N ATOM 1559 CA GLY A 106 73.419 -20.916 0.061 1.00 2.55 C ATOM 1560 C GLY A 106 74.647 -21.653 0.559 1.00 41.30 C ATOM 1561 O GLY A 106 74.559 -22.470 1.476 1.00 25.12 O ATOM 0 H GLY A 106 71.777 -21.319 1.297 1.00 61.24 H new ATOM 0 HA2 GLY A 106 73.480 -20.805 -1.022 1.00 2.55 H new ATOM 0 HA3 GLY A 106 73.405 -19.911 0.484 1.00 2.55 H new ATOM 1565 N ARG A 107 75.794 -21.366 -0.048 1.00 42.51 N ATOM 1566 CA ARG A 107 77.044 -22.009 0.337 1.00 52.13 C ATOM 1567 C ARG A 107 77.498 -21.535 1.715 1.00 23.03 C ATOM 1568 O ARG A 107 77.097 -20.469 2.179 1.00 41.42 O ATOM 1569 CB ARG A 107 78.132 -21.719 -0.699 1.00 53.52 C ATOM 1570 CG ARG A 107 78.800 -20.365 -0.516 1.00 23.05 C ATOM 1571 CD ARG A 107 79.284 -19.800 -1.843 1.00 52.12 C ATOM 1572 NE ARG A 107 80.680 -19.376 -1.779 1.00 22.31 N ATOM 1573 CZ ARG A 107 81.080 -18.251 -1.198 1.00 4.24 C ATOM 1574 NH1 ARG A 107 80.196 -17.442 -0.632 1.00 50.44 N ATOM 1575 NH2 ARG A 107 82.369 -17.933 -1.182 1.00 21.32 N ATOM 0 H ARG A 107 75.883 -20.692 -0.809 1.00 42.51 H new ATOM 0 HA ARG A 107 76.872 -23.084 0.381 1.00 52.13 H new ATOM 0 HB2 ARG A 107 78.891 -22.500 -0.645 1.00 53.52 H new ATOM 0 HB3 ARG A 107 77.695 -21.768 -1.696 1.00 53.52 H new ATOM 0 HG2 ARG A 107 78.097 -19.670 -0.058 1.00 23.05 H new ATOM 0 HG3 ARG A 107 79.643 -20.463 0.168 1.00 23.05 H new ATOM 0 HD2 ARG A 107 79.169 -20.554 -2.622 1.00 52.12 H new ATOM 0 HD3 ARG A 107 78.660 -18.952 -2.126 1.00 52.12 H new ATOM 0 HE ARG A 107 81.386 -19.977 -2.204 1.00 22.31 H new ATOM 0 HH11 ARG A 107 79.205 -17.683 -0.642 1.00 50.44 H new ATOM 0 HH12 ARG A 107 80.507 -16.579 -0.187 1.00 50.44 H new ATOM 0 HH21 ARG A 107 83.053 -18.553 -1.616 1.00 21.32 H new ATOM 0 HH22 ARG A 107 82.676 -17.069 -0.736 1.00 21.32 H new ATOM 1589 N GLY A 108 78.338 -22.336 2.364 1.00 41.12 N ATOM 1590 CA GLY A 108 78.832 -21.981 3.682 1.00 24.32 C ATOM 1591 C GLY A 108 79.903 -22.933 4.174 1.00 12.44 C ATOM 1592 O GLY A 108 79.618 -24.085 4.502 1.00 32.23 O ATOM 0 H GLY A 108 78.685 -23.224 2.001 1.00 41.12 H new ATOM 0 HA2 GLY A 108 79.234 -20.968 3.655 1.00 24.32 H new ATOM 0 HA3 GLY A 108 78.002 -21.976 4.389 1.00 24.32 H new ATOM 1596 N VAL A 109 81.141 -22.453 4.226 1.00 4.34 N ATOM 1597 CA VAL A 109 82.261 -23.270 4.681 1.00 41.33 C ATOM 1598 C VAL A 109 82.493 -23.098 6.178 1.00 63.21 C ATOM 1599 O VAL A 109 82.501 -21.986 6.706 1.00 12.44 O ATOM 1600 CB VAL A 109 83.557 -22.916 3.928 1.00 71.51 C ATOM 1601 CG1 VAL A 109 83.887 -21.441 4.096 1.00 2.12 C ATOM 1602 CG2 VAL A 109 84.707 -23.787 4.410 1.00 34.11 C ATOM 0 H VAL A 109 81.395 -21.502 3.959 1.00 4.34 H new ATOM 0 HA VAL A 109 82.001 -24.308 4.473 1.00 41.33 H new ATOM 0 HB VAL A 109 83.405 -23.110 2.866 1.00 71.51 H new ATOM 0 HG11 VAL A 109 84.806 -21.210 3.557 1.00 2.12 H new ATOM 0 HG12 VAL A 109 83.071 -20.838 3.697 1.00 2.12 H new ATOM 0 HG13 VAL A 109 84.021 -21.216 5.154 1.00 2.12 H new ATOM 0 HG21 VAL A 109 85.615 -23.524 3.868 1.00 34.11 H new ATOM 0 HG22 VAL A 109 84.862 -23.627 5.477 1.00 34.11 H new ATOM 0 HG23 VAL A 109 84.469 -24.836 4.231 1.00 34.11 H new ATOM 1612 N PRO A 110 82.686 -24.224 6.880 1.00 23.13 N ATOM 1613 CA PRO A 110 82.923 -24.224 8.327 1.00 33.25 C ATOM 1614 C PRO A 110 84.286 -23.647 8.691 1.00 22.23 C ATOM 1615 O PRO A 110 85.148 -23.438 7.836 1.00 70.25 O ATOM 1616 CB PRO A 110 82.854 -25.708 8.697 1.00 32.23 C ATOM 1617 CG PRO A 110 83.214 -26.428 7.443 1.00 34.51 C ATOM 1618 CD PRO A 110 82.689 -25.583 6.315 1.00 33.54 C ATOM 0 HA PRO A 110 82.201 -23.604 8.859 1.00 33.25 H new ATOM 0 HB2 PRO A 110 83.547 -25.947 9.504 1.00 32.23 H new ATOM 0 HB3 PRO A 110 81.857 -25.985 9.040 1.00 32.23 H new ATOM 0 HG2 PRO A 110 84.293 -26.558 7.364 1.00 34.51 H new ATOM 0 HG3 PRO A 110 82.771 -27.424 7.424 1.00 34.51 H new ATOM 0 HD2 PRO A 110 83.326 -25.650 5.433 1.00 33.54 H new ATOM 0 HD3 PRO A 110 81.689 -25.894 6.011 1.00 33.54 H new