USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=15 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 146:sc= -6.55! USER MOD Set 1.2: A 87 ASN :FLIP amide:sc= -4.96! C(o=-15!,f=-12!) USER MOD Single : A 25 THR OG1 : rot 32:sc= -1.48 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 62:sc= -0.4 USER MOD Single : A 31 SER OG : rot 56:sc= 1.01 USER MOD Single : A 34 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.4!) USER MOD Single : A 35 SER OG : rot 25:sc= 0.0337 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=-0.00392 K(o=-0.0039,f=-0.76) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.686 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 3:sc= -0.0289 USER MOD Single : A 102 HIS : no HE2:sc= 0.226 K(o=0.23,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 356 N THR A 25 68.466 -37.919 4.940 1.00 13.02 N ATOM 357 CA THR A 25 69.905 -37.812 4.738 1.00 72.33 C ATOM 358 C THR A 25 70.604 -37.323 6.000 1.00 32.34 C ATOM 359 O THR A 25 70.123 -36.412 6.675 1.00 44.24 O ATOM 360 CB THR A 25 70.240 -36.858 3.576 1.00 4.12 C ATOM 361 OG1 THR A 25 69.930 -37.481 2.325 1.00 25.04 O ATOM 362 CG2 THR A 25 71.709 -36.467 3.604 1.00 65.23 C ATOM 0 HA THR A 25 70.264 -38.812 4.493 1.00 72.33 H new ATOM 0 HB THR A 25 69.638 -35.956 3.690 1.00 4.12 H new ATOM 0 HG1 THR A 25 69.164 -38.081 2.439 1.00 25.04 H new ATOM 0 HG21 THR A 25 71.922 -35.793 2.774 1.00 65.23 H new ATOM 0 HG22 THR A 25 71.934 -35.966 4.545 1.00 65.23 H new ATOM 0 HG23 THR A 25 72.325 -37.361 3.512 1.00 65.23 H new ATOM 370 N SER A 26 71.742 -37.932 6.316 1.00 41.14 N ATOM 371 CA SER A 26 72.506 -37.560 7.501 1.00 71.01 C ATOM 372 C SER A 26 73.187 -36.209 7.305 1.00 33.44 C ATOM 373 O SER A 26 73.966 -36.023 6.372 1.00 23.00 O ATOM 374 CB SER A 26 73.552 -38.630 7.817 1.00 61.25 C ATOM 375 OG SER A 26 72.982 -39.927 7.781 1.00 74.51 O ATOM 0 H SER A 26 72.156 -38.686 5.767 1.00 41.14 H new ATOM 0 HA SER A 26 71.814 -37.481 8.339 1.00 71.01 H new ATOM 0 HB2 SER A 26 74.369 -38.568 7.098 1.00 61.25 H new ATOM 0 HB3 SER A 26 73.980 -38.445 8.802 1.00 61.25 H new ATOM 0 HG SER A 26 73.671 -40.593 7.985 1.00 74.51 H new ATOM 381 N ALA A 27 72.886 -35.267 8.195 1.00 54.03 N ATOM 382 CA ALA A 27 73.471 -33.934 8.123 1.00 51.41 C ATOM 383 C ALA A 27 73.758 -33.384 9.515 1.00 75.11 C ATOM 384 O ALA A 27 73.227 -33.877 10.511 1.00 2.15 O ATOM 385 CB ALA A 27 72.546 -32.993 7.364 1.00 52.43 C ATOM 0 H ALA A 27 72.241 -35.403 8.973 1.00 54.03 H new ATOM 0 HA ALA A 27 74.418 -34.008 7.588 1.00 51.41 H new ATOM 0 HB1 ALA A 27 72.995 -32.001 7.317 1.00 52.43 H new ATOM 0 HB2 ALA A 27 72.393 -33.370 6.353 1.00 52.43 H new ATOM 0 HB3 ALA A 27 71.586 -32.933 7.878 1.00 52.43 H new ATOM 391 N THR A 28 74.606 -32.361 9.580 1.00 42.44 N ATOM 392 CA THR A 28 74.966 -31.747 10.851 1.00 2.23 C ATOM 393 C THR A 28 74.812 -30.231 10.793 1.00 43.33 C ATOM 394 O THR A 28 75.760 -29.514 10.473 1.00 24.23 O ATOM 395 CB THR A 28 76.414 -32.089 11.249 1.00 13.01 C ATOM 396 OG1 THR A 28 76.506 -33.467 11.627 1.00 2.02 O ATOM 397 CG2 THR A 28 76.881 -31.210 12.401 1.00 2.40 C ATOM 0 H THR A 28 75.056 -31.941 8.766 1.00 42.44 H new ATOM 0 HA THR A 28 74.285 -32.150 11.601 1.00 2.23 H new ATOM 0 HB THR A 28 77.057 -31.905 10.388 1.00 13.01 H new ATOM 0 HG1 THR A 28 77.430 -33.677 11.877 1.00 2.02 H new ATOM 0 HG21 THR A 28 77.906 -31.470 12.665 1.00 2.40 H new ATOM 0 HG22 THR A 28 76.838 -30.163 12.101 1.00 2.40 H new ATOM 0 HG23 THR A 28 76.234 -31.367 13.264 1.00 2.40 H new ATOM 405 N ILE A 29 73.612 -29.751 11.103 1.00 61.43 N ATOM 406 CA ILE A 29 73.336 -28.320 11.086 1.00 14.50 C ATOM 407 C ILE A 29 74.467 -27.534 11.737 1.00 34.32 C ATOM 408 O ILE A 29 74.913 -27.861 12.838 1.00 21.43 O ATOM 409 CB ILE A 29 72.016 -27.994 11.811 1.00 71.11 C ATOM 410 CG1 ILE A 29 71.807 -28.948 12.989 1.00 22.13 C ATOM 411 CG2 ILE A 29 70.846 -28.076 10.842 1.00 13.12 C ATOM 412 CD1 ILE A 29 70.615 -28.591 13.850 1.00 14.20 C ATOM 0 H ILE A 29 72.816 -30.332 11.369 1.00 61.43 H new ATOM 0 HA ILE A 29 73.250 -28.027 10.040 1.00 14.50 H new ATOM 0 HB ILE A 29 72.072 -26.976 12.197 1.00 71.11 H new ATOM 0 HG12 ILE A 29 71.679 -29.961 12.608 1.00 22.13 H new ATOM 0 HG13 ILE A 29 72.704 -28.951 13.608 1.00 22.13 H new ATOM 0 HG21 ILE A 29 69.920 -27.843 11.369 1.00 13.12 H new ATOM 0 HG22 ILE A 29 70.993 -27.361 10.033 1.00 13.12 H new ATOM 0 HG23 ILE A 29 70.785 -29.083 10.429 1.00 13.12 H new ATOM 0 HD11 ILE A 29 70.527 -29.309 14.665 1.00 14.20 H new ATOM 0 HD12 ILE A 29 70.749 -27.590 14.261 1.00 14.20 H new ATOM 0 HD13 ILE A 29 69.709 -28.616 13.245 1.00 14.20 H new ATOM 424 N THR A 30 74.929 -26.493 11.052 1.00 41.21 N ATOM 425 CA THR A 30 76.009 -25.658 11.562 1.00 12.40 C ATOM 426 C THR A 30 75.922 -24.243 11.003 1.00 21.34 C ATOM 427 O THR A 30 76.378 -23.975 9.892 1.00 52.12 O ATOM 428 CB THR A 30 77.388 -26.250 11.217 1.00 53.11 C ATOM 429 OG1 THR A 30 77.414 -27.648 11.530 1.00 23.45 O ATOM 430 CG2 THR A 30 78.491 -25.534 11.981 1.00 40.02 C ATOM 0 H THR A 30 74.571 -26.208 10.141 1.00 41.21 H new ATOM 0 HA THR A 30 75.897 -25.625 12.646 1.00 12.40 H new ATOM 0 HB THR A 30 77.560 -26.114 10.149 1.00 53.11 H new ATOM 0 HG1 THR A 30 76.749 -28.118 10.984 1.00 23.45 H new ATOM 0 HG21 THR A 30 79.456 -25.970 11.721 1.00 40.02 H new ATOM 0 HG22 THR A 30 78.488 -24.476 11.718 1.00 40.02 H new ATOM 0 HG23 THR A 30 78.321 -25.642 13.052 1.00 40.02 H new ATOM 438 N SER A 31 75.334 -23.340 11.781 1.00 1.34 N ATOM 439 CA SER A 31 75.184 -21.951 11.363 1.00 43.34 C ATOM 440 C SER A 31 75.536 -20.998 12.501 1.00 71.34 C ATOM 441 O SER A 31 74.665 -20.344 13.070 1.00 15.30 O ATOM 442 CB SER A 31 73.753 -21.690 10.889 1.00 40.31 C ATOM 443 OG SER A 31 72.837 -21.769 11.967 1.00 53.22 O ATOM 0 H SER A 31 74.953 -23.546 12.705 1.00 1.34 H new ATOM 0 HA SER A 31 75.872 -21.771 10.537 1.00 43.34 H new ATOM 0 HB2 SER A 31 73.693 -20.704 10.428 1.00 40.31 H new ATOM 0 HB3 SER A 31 73.482 -22.417 10.123 1.00 40.31 H new ATOM 0 HG SER A 31 73.104 -21.140 12.670 1.00 53.22 H new ATOM 449 N GLY A 32 76.824 -20.927 12.827 1.00 71.22 N ATOM 450 CA GLY A 32 77.271 -20.053 13.895 1.00 1.04 C ATOM 451 C GLY A 32 78.772 -20.105 14.097 1.00 43.11 C ATOM 452 O GLY A 32 79.446 -20.984 13.562 1.00 52.30 O ATOM 0 H GLY A 32 77.565 -21.459 12.370 1.00 71.22 H new ATOM 0 HA2 GLY A 32 76.973 -19.029 13.671 1.00 1.04 H new ATOM 0 HA3 GLY A 32 76.773 -20.334 14.823 1.00 1.04 H new ATOM 456 N GLU A 33 79.298 -19.159 14.869 1.00 10.45 N ATOM 457 CA GLU A 33 80.730 -19.100 15.138 1.00 43.50 C ATOM 458 C GLU A 33 81.259 -20.464 15.568 1.00 11.41 C ATOM 459 O GLU A 33 82.448 -20.751 15.433 1.00 43.42 O ATOM 460 CB GLU A 33 81.026 -18.060 16.221 1.00 42.05 C ATOM 461 CG GLU A 33 80.503 -18.447 17.594 1.00 32.42 C ATOM 462 CD GLU A 33 80.831 -17.414 18.655 1.00 13.34 C ATOM 463 OE1 GLU A 33 80.678 -16.207 18.374 1.00 73.33 O ATOM 464 OE2 GLU A 33 81.240 -17.813 19.766 1.00 10.40 O ATOM 0 H GLU A 33 78.754 -18.423 15.319 1.00 10.45 H new ATOM 0 HA GLU A 33 81.235 -18.808 14.217 1.00 43.50 H new ATOM 0 HB2 GLU A 33 82.104 -17.907 16.282 1.00 42.05 H new ATOM 0 HB3 GLU A 33 80.585 -17.107 15.928 1.00 42.05 H new ATOM 0 HG2 GLU A 33 79.422 -18.580 17.543 1.00 32.42 H new ATOM 0 HG3 GLU A 33 80.929 -19.408 17.883 1.00 32.42 H new ATOM 471 N GLN A 34 80.367 -21.301 16.088 1.00 10.41 N ATOM 472 CA GLN A 34 80.744 -22.636 16.540 1.00 31.50 C ATOM 473 C GLN A 34 79.516 -23.438 16.955 1.00 10.42 C ATOM 474 O GLN A 34 79.054 -23.342 18.092 1.00 10.02 O ATOM 475 CB GLN A 34 81.726 -22.542 17.710 1.00 41.33 C ATOM 476 CG GLN A 34 83.125 -23.031 17.370 1.00 14.31 C ATOM 477 CD GLN A 34 83.773 -23.785 18.514 1.00 15.31 C ATOM 478 OE1 GLN A 34 83.096 -24.466 19.287 1.00 21.11 O ATOM 479 NE2 GLN A 34 85.091 -23.669 18.629 1.00 15.44 N ATOM 0 H GLN A 34 79.379 -21.079 16.207 1.00 10.41 H new ATOM 0 HA GLN A 34 81.227 -23.151 15.709 1.00 31.50 H new ATOM 0 HB2 GLN A 34 81.783 -21.506 18.043 1.00 41.33 H new ATOM 0 HB3 GLN A 34 81.339 -23.125 18.546 1.00 41.33 H new ATOM 0 HG2 GLN A 34 83.077 -23.678 16.494 1.00 14.31 H new ATOM 0 HG3 GLN A 34 83.749 -22.178 17.102 1.00 14.31 H new ATOM 0 HE21 GLN A 34 85.612 -23.095 17.967 1.00 15.44 H new ATOM 0 HE22 GLN A 34 85.582 -24.154 19.380 1.00 15.44 H new ATOM 488 N SER A 35 78.990 -24.229 16.025 1.00 32.12 N ATOM 489 CA SER A 35 77.811 -25.045 16.294 1.00 41.24 C ATOM 490 C SER A 35 77.889 -26.373 15.547 1.00 41.43 C ATOM 491 O SER A 35 78.701 -26.541 14.638 1.00 70.41 O ATOM 492 CB SER A 35 76.541 -24.293 15.889 1.00 20.50 C ATOM 493 OG SER A 35 76.075 -23.473 16.946 1.00 34.43 O ATOM 0 H SER A 35 79.361 -24.322 15.079 1.00 32.12 H new ATOM 0 HA SER A 35 77.777 -25.250 17.364 1.00 41.24 H new ATOM 0 HB2 SER A 35 76.742 -23.680 15.011 1.00 20.50 H new ATOM 0 HB3 SER A 35 75.766 -25.006 15.609 1.00 20.50 H new ATOM 0 HG SER A 35 76.824 -23.239 17.533 1.00 34.43 H new ATOM 499 N GLY A 36 77.037 -27.316 15.938 1.00 74.40 N ATOM 500 CA GLY A 36 77.025 -28.618 15.298 1.00 63.15 C ATOM 501 C GLY A 36 76.020 -29.563 15.924 1.00 1.42 C ATOM 502 O GLY A 36 76.350 -30.312 16.842 1.00 55.23 O ATOM 0 H GLY A 36 76.354 -27.201 16.687 1.00 74.40 H new ATOM 0 HA2 GLY A 36 76.795 -28.497 14.240 1.00 63.15 H new ATOM 0 HA3 GLY A 36 78.020 -29.059 15.359 1.00 63.15 H new ATOM 506 N ALA A 37 74.787 -29.527 15.427 1.00 53.51 N ATOM 507 CA ALA A 37 73.730 -30.388 15.944 1.00 32.31 C ATOM 508 C ALA A 37 73.378 -31.484 14.945 1.00 0.53 C ATOM 509 O ALA A 37 74.067 -31.670 13.942 1.00 10.24 O ATOM 510 CB ALA A 37 72.497 -29.564 16.283 1.00 30.41 C ATOM 0 H ALA A 37 74.496 -28.911 14.668 1.00 53.51 H new ATOM 0 HA ALA A 37 74.096 -30.865 16.853 1.00 32.31 H new ATOM 0 HB1 ALA A 37 71.716 -30.220 16.668 1.00 30.41 H new ATOM 0 HB2 ALA A 37 72.752 -28.821 17.039 1.00 30.41 H new ATOM 0 HB3 ALA A 37 72.138 -29.060 15.386 1.00 30.41 H new ATOM 516 N VAL A 38 72.300 -32.211 15.226 1.00 34.53 N ATOM 517 CA VAL A 38 71.855 -33.289 14.352 1.00 61.35 C ATOM 518 C VAL A 38 70.726 -32.826 13.439 1.00 72.11 C ATOM 519 O VAL A 38 69.668 -32.406 13.907 1.00 52.51 O ATOM 520 CB VAL A 38 71.378 -34.508 15.163 1.00 34.22 C ATOM 521 CG1 VAL A 38 70.914 -35.619 14.233 1.00 14.43 C ATOM 522 CG2 VAL A 38 72.483 -35.000 16.085 1.00 33.21 C ATOM 0 H VAL A 38 71.719 -32.072 16.053 1.00 34.53 H new ATOM 0 HA VAL A 38 72.713 -33.579 13.745 1.00 61.35 H new ATOM 0 HB VAL A 38 70.531 -34.204 15.779 1.00 34.22 H new ATOM 0 HG11 VAL A 38 70.581 -36.472 14.824 1.00 14.43 H new ATOM 0 HG12 VAL A 38 70.089 -35.258 13.619 1.00 14.43 H new ATOM 0 HG13 VAL A 38 71.740 -35.923 13.590 1.00 14.43 H new ATOM 0 HG21 VAL A 38 72.128 -35.862 16.650 1.00 33.21 H new ATOM 0 HG22 VAL A 38 73.351 -35.288 15.492 1.00 33.21 H new ATOM 0 HG23 VAL A 38 72.763 -34.204 16.775 1.00 33.21 H new ATOM 532 N ILE A 39 70.958 -32.906 12.133 1.00 24.51 N ATOM 533 CA ILE A 39 69.960 -32.496 11.153 1.00 12.31 C ATOM 534 C ILE A 39 69.876 -33.494 10.004 1.00 63.12 C ATOM 535 O ILE A 39 70.864 -34.141 9.656 1.00 71.30 O ATOM 536 CB ILE A 39 70.269 -31.099 10.585 1.00 41.34 C ATOM 537 CG1 ILE A 39 69.089 -30.589 9.755 1.00 52.34 C ATOM 538 CG2 ILE A 39 71.537 -31.138 9.743 1.00 11.34 C ATOM 539 CD1 ILE A 39 69.291 -30.736 8.262 1.00 14.14 C ATOM 0 H ILE A 39 71.829 -33.251 11.729 1.00 24.51 H new ATOM 0 HA ILE A 39 69.002 -32.463 11.673 1.00 12.31 H new ATOM 0 HB ILE A 39 70.428 -30.412 11.416 1.00 41.34 H new ATOM 0 HG12 ILE A 39 68.189 -31.131 10.047 1.00 52.34 H new ATOM 0 HG13 ILE A 39 68.918 -29.538 9.989 1.00 52.34 H new ATOM 0 HG21 ILE A 39 71.742 -30.143 9.348 1.00 11.34 H new ATOM 0 HG22 ILE A 39 72.374 -31.463 10.361 1.00 11.34 H new ATOM 0 HG23 ILE A 39 71.404 -31.836 8.916 1.00 11.34 H new ATOM 0 HD11 ILE A 39 68.415 -30.354 7.737 1.00 14.14 H new ATOM 0 HD12 ILE A 39 70.172 -30.171 7.957 1.00 14.14 H new ATOM 0 HD13 ILE A 39 69.431 -31.788 8.016 1.00 14.14 H new ATOM 551 N ARG A 40 68.690 -33.613 9.415 1.00 23.43 N ATOM 552 CA ARG A 40 68.478 -34.532 8.303 1.00 42.21 C ATOM 553 C ARG A 40 68.277 -33.768 6.998 1.00 4.13 C ATOM 554 O ARG A 40 67.149 -33.576 6.546 1.00 51.13 O ATOM 555 CB ARG A 40 67.265 -35.424 8.576 1.00 43.14 C ATOM 556 CG ARG A 40 67.225 -35.981 9.989 1.00 73.53 C ATOM 557 CD ARG A 40 66.316 -37.197 10.083 1.00 51.44 C ATOM 558 NE ARG A 40 65.830 -37.413 11.443 1.00 51.33 N ATOM 559 CZ ARG A 40 64.836 -36.721 11.987 1.00 2.22 C ATOM 560 NH1 ARG A 40 64.224 -35.773 11.290 1.00 33.21 N ATOM 561 NH2 ARG A 40 64.451 -36.977 13.231 1.00 24.13 N ATOM 0 H ARG A 40 67.862 -33.085 9.689 1.00 23.43 H new ATOM 0 HA ARG A 40 69.366 -35.157 8.205 1.00 42.21 H new ATOM 0 HB2 ARG A 40 66.355 -34.852 8.394 1.00 43.14 H new ATOM 0 HB3 ARG A 40 67.267 -36.253 7.868 1.00 43.14 H new ATOM 0 HG2 ARG A 40 68.233 -36.254 10.302 1.00 73.53 H new ATOM 0 HG3 ARG A 40 66.875 -35.210 10.675 1.00 73.53 H new ATOM 0 HD2 ARG A 40 65.468 -37.068 9.411 1.00 51.44 H new ATOM 0 HD3 ARG A 40 66.857 -38.081 9.747 1.00 51.44 H new ATOM 0 HE ARG A 40 66.279 -38.135 12.006 1.00 51.33 H new ATOM 0 HH11 ARG A 40 64.517 -35.574 10.333 1.00 33.21 H new ATOM 0 HH12 ARG A 40 63.461 -35.243 11.711 1.00 33.21 H new ATOM 0 HH21 ARG A 40 64.919 -37.706 13.770 1.00 24.13 H new ATOM 0 HH22 ARG A 40 63.687 -36.445 13.648 1.00 24.13 H new ATOM 575 N GLY A 41 69.380 -33.333 6.396 1.00 11.22 N ATOM 576 CA GLY A 41 69.304 -32.595 5.149 1.00 50.51 C ATOM 577 C GLY A 41 70.188 -33.186 4.070 1.00 71.40 C ATOM 578 O GLY A 41 71.247 -33.743 4.361 1.00 74.42 O ATOM 0 H GLY A 41 70.325 -33.479 6.750 1.00 11.22 H new ATOM 0 HA2 GLY A 41 68.271 -32.582 4.801 1.00 50.51 H new ATOM 0 HA3 GLY A 41 69.594 -31.559 5.325 1.00 50.51 H new ATOM 582 N VAL A 42 69.755 -33.067 2.819 1.00 14.53 N ATOM 583 CA VAL A 42 70.514 -33.595 1.693 1.00 44.03 C ATOM 584 C VAL A 42 70.741 -32.523 0.632 1.00 31.33 C ATOM 585 O VAL A 42 69.844 -31.738 0.326 1.00 21.52 O ATOM 586 CB VAL A 42 69.798 -34.796 1.047 1.00 72.41 C ATOM 587 CG1 VAL A 42 68.690 -34.323 0.120 1.00 13.10 C ATOM 588 CG2 VAL A 42 70.794 -35.669 0.298 1.00 63.32 C ATOM 0 H VAL A 42 68.881 -32.609 2.560 1.00 14.53 H new ATOM 0 HA VAL A 42 71.476 -33.923 2.086 1.00 44.03 H new ATOM 0 HB VAL A 42 69.346 -35.395 1.838 1.00 72.41 H new ATOM 0 HG11 VAL A 42 68.196 -35.186 -0.327 1.00 13.10 H new ATOM 0 HG12 VAL A 42 67.963 -33.743 0.688 1.00 13.10 H new ATOM 0 HG13 VAL A 42 69.115 -33.701 -0.667 1.00 13.10 H new ATOM 0 HG21 VAL A 42 70.271 -36.513 -0.152 1.00 63.32 H new ATOM 0 HG22 VAL A 42 71.277 -35.082 -0.484 1.00 63.32 H new ATOM 0 HG23 VAL A 42 71.549 -36.038 0.993 1.00 63.32 H new ATOM 598 N PHE A 43 71.947 -32.496 0.075 1.00 4.40 N ATOM 599 CA PHE A 43 72.293 -31.520 -0.952 1.00 71.11 C ATOM 600 C PHE A 43 72.236 -32.149 -2.341 1.00 31.31 C ATOM 601 O PHE A 43 72.830 -33.200 -2.583 1.00 3.02 O ATOM 602 CB PHE A 43 73.690 -30.950 -0.694 1.00 14.11 C ATOM 603 CG PHE A 43 74.791 -31.756 -1.322 1.00 65.41 C ATOM 604 CD1 PHE A 43 75.120 -33.007 -0.827 1.00 55.52 C ATOM 605 CD2 PHE A 43 75.496 -31.261 -2.407 1.00 73.13 C ATOM 606 CE1 PHE A 43 76.134 -33.750 -1.403 1.00 32.01 C ATOM 607 CE2 PHE A 43 76.511 -32.000 -2.987 1.00 31.43 C ATOM 608 CZ PHE A 43 76.829 -33.246 -2.485 1.00 51.30 C ATOM 0 H PHE A 43 72.701 -33.139 0.317 1.00 4.40 H new ATOM 0 HA PHE A 43 71.564 -30.710 -0.909 1.00 71.11 H new ATOM 0 HB2 PHE A 43 73.734 -29.930 -1.076 1.00 14.11 H new ATOM 0 HB3 PHE A 43 73.859 -30.895 0.381 1.00 14.11 H new ATOM 0 HD1 PHE A 43 74.579 -33.406 0.018 1.00 55.52 H new ATOM 0 HD2 PHE A 43 75.250 -30.287 -2.804 1.00 73.13 H new ATOM 0 HE1 PHE A 43 76.382 -34.724 -1.007 1.00 32.01 H new ATOM 0 HE2 PHE A 43 77.054 -31.603 -3.832 1.00 31.43 H new ATOM 0 HZ PHE A 43 77.620 -33.826 -2.938 1.00 51.30 H new ATOM 618 N ASP A 44 71.518 -31.497 -3.249 1.00 73.13 N ATOM 619 CA ASP A 44 71.384 -31.992 -4.615 1.00 2.03 C ATOM 620 C ASP A 44 72.250 -31.180 -5.574 1.00 53.40 C ATOM 621 O ASP A 44 72.136 -29.956 -5.645 1.00 32.10 O ATOM 622 CB ASP A 44 69.921 -31.936 -5.058 1.00 1.44 C ATOM 623 CG ASP A 44 69.509 -33.160 -5.852 1.00 75.13 C ATOM 624 OD1 ASP A 44 70.304 -33.612 -6.702 1.00 23.41 O ATOM 625 OD2 ASP A 44 68.392 -33.668 -5.621 1.00 14.43 O ATOM 0 H ASP A 44 71.020 -30.626 -3.065 1.00 73.13 H new ATOM 0 HA ASP A 44 71.723 -33.028 -4.636 1.00 2.03 H new ATOM 0 HB2 ASP A 44 69.282 -31.844 -4.180 1.00 1.44 H new ATOM 0 HB3 ASP A 44 69.762 -31.043 -5.663 1.00 1.44 H new ATOM 630 N ASP A 45 73.115 -31.870 -6.308 1.00 44.42 N ATOM 631 CA ASP A 45 74.001 -31.214 -7.264 1.00 13.54 C ATOM 632 C ASP A 45 73.659 -31.625 -8.693 1.00 61.41 C ATOM 633 O ASP A 45 73.949 -32.738 -9.131 1.00 73.42 O ATOM 634 CB ASP A 45 75.459 -31.555 -6.956 1.00 41.24 C ATOM 635 CG ASP A 45 76.318 -30.319 -6.776 1.00 54.33 C ATOM 636 OD1 ASP A 45 76.274 -29.433 -7.655 1.00 24.41 O ATOM 637 OD2 ASP A 45 77.031 -30.237 -5.754 1.00 64.35 O ATOM 0 H ASP A 45 73.222 -32.883 -6.260 1.00 44.42 H new ATOM 0 HA ASP A 45 73.861 -30.137 -7.173 1.00 13.54 H new ATOM 0 HB2 ASP A 45 75.504 -32.160 -6.050 1.00 41.24 H new ATOM 0 HB3 ASP A 45 75.866 -32.162 -7.765 1.00 41.24 H new ATOM 877 N PRO A 63 73.001 -25.941 -4.952 1.00 22.41 N ATOM 878 CA PRO A 63 72.389 -27.270 -4.862 1.00 0.11 C ATOM 879 C PRO A 63 70.988 -27.223 -4.260 1.00 72.32 C ATOM 880 O PRO A 63 70.483 -26.152 -3.922 1.00 45.01 O ATOM 881 CB PRO A 63 73.340 -28.038 -3.942 1.00 61.13 C ATOM 882 CG PRO A 63 74.003 -26.987 -3.119 1.00 51.31 C ATOM 883 CD PRO A 63 74.118 -25.779 -4.006 1.00 33.54 C ATOM 0 HA PRO A 63 72.262 -27.727 -5.843 1.00 0.11 H new ATOM 0 HB2 PRO A 63 72.798 -28.748 -3.316 1.00 61.13 H new ATOM 0 HB3 PRO A 63 74.069 -28.610 -4.515 1.00 61.13 H new ATOM 0 HG2 PRO A 63 73.418 -26.762 -2.227 1.00 51.31 H new ATOM 0 HG3 PRO A 63 74.985 -27.318 -2.781 1.00 51.31 H new ATOM 0 HD2 PRO A 63 74.031 -24.853 -3.437 1.00 33.54 H new ATOM 0 HD3 PRO A 63 75.079 -25.748 -4.520 1.00 33.54 H new ATOM 891 N SER A 64 70.366 -28.390 -4.128 1.00 32.00 N ATOM 892 CA SER A 64 69.023 -28.481 -3.569 1.00 0.01 C ATOM 893 C SER A 64 69.058 -29.070 -2.162 1.00 43.53 C ATOM 894 O SER A 64 69.892 -29.923 -1.854 1.00 24.02 O ATOM 895 CB SER A 64 68.130 -29.337 -4.470 1.00 0.42 C ATOM 896 OG SER A 64 66.840 -28.766 -4.601 1.00 25.24 O ATOM 0 H SER A 64 70.771 -29.286 -4.401 1.00 32.00 H new ATOM 0 HA SER A 64 68.611 -27.473 -3.512 1.00 0.01 H new ATOM 0 HB2 SER A 64 68.589 -29.436 -5.454 1.00 0.42 H new ATOM 0 HB3 SER A 64 68.046 -30.341 -4.055 1.00 0.42 H new ATOM 0 HG SER A 64 66.290 -29.331 -5.183 1.00 25.24 H new ATOM 902 N LEU A 65 68.147 -28.609 -1.312 1.00 0.02 N ATOM 903 CA LEU A 65 68.072 -29.088 0.064 1.00 60.13 C ATOM 904 C LEU A 65 66.764 -29.832 0.311 1.00 1.14 C ATOM 905 O LEU A 65 65.686 -29.344 -0.031 1.00 21.03 O ATOM 906 CB LEU A 65 68.200 -27.918 1.040 1.00 74.24 C ATOM 907 CG LEU A 65 68.123 -28.272 2.526 1.00 40.45 C ATOM 908 CD1 LEU A 65 66.673 -28.400 2.969 1.00 33.21 C ATOM 909 CD2 LEU A 65 68.885 -29.558 2.808 1.00 41.12 C ATOM 0 H LEU A 65 67.450 -27.904 -1.551 1.00 0.02 H new ATOM 0 HA LEU A 65 68.898 -29.780 0.227 1.00 60.13 H new ATOM 0 HB2 LEU A 65 69.151 -27.419 0.855 1.00 74.24 H new ATOM 0 HB3 LEU A 65 67.413 -27.197 0.817 1.00 74.24 H new ATOM 0 HG LEU A 65 68.586 -27.467 3.097 1.00 40.45 H new ATOM 0 HD11 LEU A 65 66.637 -28.652 4.029 1.00 33.21 H new ATOM 0 HD12 LEU A 65 66.157 -27.454 2.803 1.00 33.21 H new ATOM 0 HD13 LEU A 65 66.184 -29.185 2.392 1.00 33.21 H new ATOM 0 HD21 LEU A 65 68.819 -29.794 3.870 1.00 41.12 H new ATOM 0 HD22 LEU A 65 68.452 -30.372 2.228 1.00 41.12 H new ATOM 0 HD23 LEU A 65 69.931 -29.430 2.529 1.00 41.12 H new ATOM 921 N PHE A 66 66.864 -31.014 0.909 1.00 62.42 N ATOM 922 CA PHE A 66 65.688 -31.825 1.203 1.00 73.24 C ATOM 923 C PHE A 66 65.570 -32.087 2.701 1.00 33.15 C ATOM 924 O PHE A 66 66.323 -32.882 3.265 1.00 3.11 O ATOM 925 CB PHE A 66 65.756 -33.152 0.445 1.00 53.52 C ATOM 926 CG PHE A 66 64.429 -33.598 -0.101 1.00 72.31 C ATOM 927 CD1 PHE A 66 63.570 -34.364 0.671 1.00 44.22 C ATOM 928 CD2 PHE A 66 64.042 -33.253 -1.385 1.00 31.01 C ATOM 929 CE1 PHE A 66 62.349 -34.776 0.172 1.00 45.20 C ATOM 930 CE2 PHE A 66 62.822 -33.661 -1.890 1.00 14.34 C ATOM 931 CZ PHE A 66 61.974 -34.425 -1.110 1.00 11.11 C ATOM 0 H PHE A 66 67.748 -31.432 1.200 1.00 62.42 H new ATOM 0 HA PHE A 66 64.806 -31.274 0.878 1.00 73.24 H new ATOM 0 HB2 PHE A 66 66.465 -33.056 -0.377 1.00 53.52 H new ATOM 0 HB3 PHE A 66 66.144 -33.923 1.111 1.00 53.52 H new ATOM 0 HD1 PHE A 66 63.858 -34.642 1.674 1.00 44.22 H new ATOM 0 HD2 PHE A 66 64.702 -32.658 -1.999 1.00 31.01 H new ATOM 0 HE1 PHE A 66 61.688 -35.372 0.784 1.00 45.20 H new ATOM 0 HE2 PHE A 66 62.532 -33.383 -2.892 1.00 14.34 H new ATOM 0 HZ PHE A 66 61.021 -34.747 -1.502 1.00 11.11 H new ATOM 941 N VAL A 67 64.621 -31.412 3.341 1.00 41.11 N ATOM 942 CA VAL A 67 64.402 -31.572 4.774 1.00 73.23 C ATOM 943 C VAL A 67 62.920 -31.469 5.119 1.00 70.42 C ATOM 944 O VAL A 67 62.095 -31.143 4.265 1.00 72.01 O ATOM 945 CB VAL A 67 65.180 -30.516 5.581 1.00 73.11 C ATOM 946 CG1 VAL A 67 66.667 -30.596 5.271 1.00 74.03 C ATOM 947 CG2 VAL A 67 64.641 -29.122 5.294 1.00 75.24 C ATOM 0 H VAL A 67 63.991 -30.749 2.890 1.00 41.11 H new ATOM 0 HA VAL A 67 64.766 -32.564 5.041 1.00 73.23 H new ATOM 0 HB VAL A 67 65.043 -30.722 6.643 1.00 73.11 H new ATOM 0 HG11 VAL A 67 67.200 -29.842 5.850 1.00 74.03 H new ATOM 0 HG12 VAL A 67 67.040 -31.586 5.532 1.00 74.03 H new ATOM 0 HG13 VAL A 67 66.827 -30.417 4.208 1.00 74.03 H new ATOM 0 HG21 VAL A 67 65.202 -28.389 5.873 1.00 75.24 H new ATOM 0 HG22 VAL A 67 64.746 -28.903 4.231 1.00 75.24 H new ATOM 0 HG23 VAL A 67 63.588 -29.075 5.572 1.00 75.24 H new ATOM 957 N ARG A 68 62.591 -31.749 6.375 1.00 14.44 N ATOM 958 CA ARG A 68 61.208 -31.688 6.833 1.00 34.01 C ATOM 959 C ARG A 68 60.974 -30.450 7.695 1.00 52.11 C ATOM 960 O ARG A 68 61.846 -30.041 8.463 1.00 11.40 O ATOM 961 CB ARG A 68 60.855 -32.948 7.626 1.00 61.21 C ATOM 962 CG ARG A 68 59.985 -32.679 8.843 1.00 72.12 C ATOM 963 CD ARG A 68 59.321 -33.951 9.345 1.00 33.22 C ATOM 964 NE ARG A 68 58.090 -33.672 10.081 1.00 34.42 N ATOM 965 CZ ARG A 68 57.316 -34.617 10.601 1.00 34.05 C ATOM 966 NH1 ARG A 68 57.642 -35.895 10.468 1.00 2.33 N ATOM 967 NH2 ARG A 68 56.212 -34.284 11.258 1.00 11.12 N ATOM 0 H ARG A 68 63.262 -32.020 7.094 1.00 14.44 H new ATOM 0 HA ARG A 68 60.564 -31.626 5.956 1.00 34.01 H new ATOM 0 HB2 ARG A 68 60.339 -33.648 6.969 1.00 61.21 H new ATOM 0 HB3 ARG A 68 61.776 -33.434 7.949 1.00 61.21 H new ATOM 0 HG2 ARG A 68 60.593 -32.247 9.638 1.00 72.12 H new ATOM 0 HG3 ARG A 68 59.221 -31.944 8.590 1.00 72.12 H new ATOM 0 HD2 ARG A 68 59.098 -34.602 8.499 1.00 33.22 H new ATOM 0 HD3 ARG A 68 60.014 -34.492 9.989 1.00 33.22 H new ATOM 0 HE ARG A 68 57.810 -32.699 10.202 1.00 34.42 H new ATOM 0 HH11 ARG A 68 58.490 -36.155 9.965 1.00 2.33 H new ATOM 0 HH12 ARG A 68 57.045 -36.618 10.869 1.00 2.33 H new ATOM 0 HH21 ARG A 68 55.958 -33.302 11.364 1.00 11.12 H new ATOM 0 HH22 ARG A 68 55.618 -35.010 11.657 1.00 11.12 H new ATOM 981 N THR A 69 59.791 -29.858 7.562 1.00 50.11 N ATOM 982 CA THR A 69 59.443 -28.667 8.326 1.00 24.02 C ATOM 983 C THR A 69 59.926 -28.778 9.767 1.00 30.34 C ATOM 984 O THR A 69 60.564 -27.863 10.290 1.00 21.25 O ATOM 985 CB THR A 69 57.922 -28.422 8.323 1.00 32.51 C ATOM 986 OG1 THR A 69 57.541 -27.692 9.495 1.00 72.33 O ATOM 987 CG2 THR A 69 57.163 -29.739 8.271 1.00 40.22 C ATOM 0 H THR A 69 59.058 -30.184 6.932 1.00 50.11 H new ATOM 0 HA THR A 69 59.940 -27.825 7.843 1.00 24.02 H new ATOM 0 HB THR A 69 57.671 -27.840 7.436 1.00 32.51 H new ATOM 0 HG1 THR A 69 56.573 -27.539 9.485 1.00 72.33 H new ATOM 0 HG21 THR A 69 56.091 -29.541 8.270 1.00 40.22 H new ATOM 0 HG22 THR A 69 57.433 -30.279 7.364 1.00 40.22 H new ATOM 0 HG23 THR A 69 57.420 -30.342 9.142 1.00 40.22 H new ATOM 995 N ASP A 70 59.619 -29.902 10.404 1.00 74.40 N ATOM 996 CA ASP A 70 60.024 -30.133 11.786 1.00 22.42 C ATOM 997 C ASP A 70 61.528 -29.930 11.953 1.00 14.40 C ATOM 998 O ASP A 70 61.969 -29.195 12.836 1.00 42.23 O ATOM 999 CB ASP A 70 59.636 -31.545 12.225 1.00 62.24 C ATOM 1000 CG ASP A 70 59.764 -31.742 13.722 1.00 41.31 C ATOM 1001 OD1 ASP A 70 60.863 -32.120 14.180 1.00 3.21 O ATOM 1002 OD2 ASP A 70 58.764 -31.518 14.437 1.00 65.22 O ATOM 0 H ASP A 70 59.091 -30.668 9.986 1.00 74.40 H new ATOM 0 HA ASP A 70 59.505 -29.410 12.416 1.00 22.42 H new ATOM 0 HB2 ASP A 70 58.609 -31.747 11.922 1.00 62.24 H new ATOM 0 HB3 ASP A 70 60.269 -32.269 11.711 1.00 62.24 H new ATOM 1007 N GLU A 71 62.306 -30.587 11.100 1.00 64.22 N ATOM 1008 CA GLU A 71 63.760 -30.479 11.155 1.00 54.21 C ATOM 1009 C GLU A 71 64.199 -29.019 11.118 1.00 12.22 C ATOM 1010 O GLU A 71 65.139 -28.624 11.809 1.00 44.22 O ATOM 1011 CB GLU A 71 64.394 -31.244 9.991 1.00 20.10 C ATOM 1012 CG GLU A 71 64.318 -32.754 10.140 1.00 55.11 C ATOM 1013 CD GLU A 71 64.306 -33.473 8.805 1.00 10.14 C ATOM 1014 OE1 GLU A 71 64.838 -32.911 7.825 1.00 21.12 O ATOM 1015 OE2 GLU A 71 63.765 -34.597 8.740 1.00 20.03 O ATOM 0 H GLU A 71 61.955 -31.199 10.363 1.00 64.22 H new ATOM 0 HA GLU A 71 64.096 -30.917 12.095 1.00 54.21 H new ATOM 0 HB2 GLU A 71 63.899 -30.954 9.064 1.00 20.10 H new ATOM 0 HB3 GLU A 71 65.439 -30.949 9.900 1.00 20.10 H new ATOM 0 HG2 GLU A 71 65.168 -33.100 10.727 1.00 55.11 H new ATOM 0 HG3 GLU A 71 63.418 -33.015 10.697 1.00 55.11 H new ATOM 1022 N VAL A 72 63.512 -28.221 10.307 1.00 5.11 N ATOM 1023 CA VAL A 72 63.830 -26.803 10.180 1.00 42.42 C ATOM 1024 C VAL A 72 63.273 -26.007 11.355 1.00 52.55 C ATOM 1025 O VAL A 72 63.860 -25.011 11.777 1.00 45.50 O ATOM 1026 CB VAL A 72 63.273 -26.218 8.868 1.00 74.05 C ATOM 1027 CG1 VAL A 72 63.950 -24.896 8.544 1.00 25.14 C ATOM 1028 CG2 VAL A 72 63.448 -27.210 7.727 1.00 23.10 C ATOM 0 H VAL A 72 62.732 -28.532 9.728 1.00 5.11 H new ATOM 0 HA VAL A 72 64.917 -26.722 10.173 1.00 42.42 H new ATOM 0 HB VAL A 72 62.207 -26.031 8.997 1.00 74.05 H new ATOM 0 HG11 VAL A 72 63.544 -24.498 7.614 1.00 25.14 H new ATOM 0 HG12 VAL A 72 63.769 -24.187 9.352 1.00 25.14 H new ATOM 0 HG13 VAL A 72 65.023 -25.054 8.433 1.00 25.14 H new ATOM 0 HG21 VAL A 72 63.049 -26.781 6.808 1.00 23.10 H new ATOM 0 HG22 VAL A 72 64.507 -27.430 7.595 1.00 23.10 H new ATOM 0 HG23 VAL A 72 62.913 -28.131 7.960 1.00 23.10 H new ATOM 1038 N ARG A 73 62.136 -26.454 11.879 1.00 2.23 N ATOM 1039 CA ARG A 73 61.498 -25.783 13.005 1.00 61.25 C ATOM 1040 C ARG A 73 62.448 -25.699 14.196 1.00 11.33 C ATOM 1041 O ARG A 73 62.487 -24.691 14.900 1.00 21.22 O ATOM 1042 CB ARG A 73 60.220 -26.521 13.409 1.00 24.22 C ATOM 1043 CG ARG A 73 59.486 -25.875 14.573 1.00 63.11 C ATOM 1044 CD ARG A 73 59.959 -26.430 15.907 1.00 54.45 C ATOM 1045 NE ARG A 73 58.923 -26.345 16.933 1.00 24.22 N ATOM 1046 CZ ARG A 73 59.120 -26.675 18.205 1.00 42.23 C ATOM 1047 NH1 ARG A 73 60.306 -27.111 18.604 1.00 44.15 N ATOM 1048 NH2 ARG A 73 58.127 -26.570 19.079 1.00 22.43 N ATOM 0 H ARG A 73 61.638 -27.278 11.542 1.00 2.23 H new ATOM 0 HA ARG A 73 61.241 -24.770 12.694 1.00 61.25 H new ATOM 0 HB2 ARG A 73 59.551 -26.568 12.550 1.00 24.22 H new ATOM 0 HB3 ARG A 73 60.472 -27.548 13.674 1.00 24.22 H new ATOM 0 HG2 ARG A 73 59.643 -24.797 14.550 1.00 63.11 H new ATOM 0 HG3 ARG A 73 58.414 -26.043 14.467 1.00 63.11 H new ATOM 0 HD2 ARG A 73 60.260 -27.470 15.781 1.00 54.45 H new ATOM 0 HD3 ARG A 73 60.841 -25.881 16.236 1.00 54.45 H new ATOM 0 HE ARG A 73 57.998 -26.014 16.658 1.00 24.22 H new ATOM 0 HH11 ARG A 73 61.071 -27.194 17.934 1.00 44.15 H new ATOM 0 HH12 ARG A 73 60.454 -27.364 19.581 1.00 44.15 H new ATOM 0 HH21 ARG A 73 57.213 -26.236 18.774 1.00 22.43 H new ATOM 0 HH22 ARG A 73 58.278 -26.823 20.055 1.00 22.43 H new ATOM 1062 N GLN A 74 63.210 -26.766 14.415 1.00 35.24 N ATOM 1063 CA GLN A 74 64.158 -26.812 15.523 1.00 63.25 C ATOM 1064 C GLN A 74 65.134 -25.642 15.452 1.00 52.14 C ATOM 1065 O GLN A 74 65.735 -25.261 16.458 1.00 2.30 O ATOM 1066 CB GLN A 74 64.927 -28.135 15.507 1.00 33.15 C ATOM 1067 CG GLN A 74 64.151 -29.296 16.110 1.00 60.24 C ATOM 1068 CD GLN A 74 64.605 -30.640 15.575 1.00 35.35 C ATOM 1069 OE1 GLN A 74 65.692 -30.761 15.009 1.00 1.02 O ATOM 1070 NE2 GLN A 74 63.774 -31.661 15.756 1.00 22.42 N ATOM 0 H GLN A 74 63.190 -27.609 13.841 1.00 35.24 H new ATOM 0 HA GLN A 74 63.596 -26.737 16.454 1.00 63.25 H new ATOM 0 HB2 GLN A 74 65.191 -28.380 14.478 1.00 33.15 H new ATOM 0 HB3 GLN A 74 65.861 -28.010 16.054 1.00 33.15 H new ATOM 0 HG2 GLN A 74 64.267 -29.282 17.194 1.00 60.24 H new ATOM 0 HG3 GLN A 74 63.089 -29.166 15.902 1.00 60.24 H new ATOM 0 HE21 GLN A 74 62.883 -31.515 16.231 1.00 22.42 H new ATOM 0 HE22 GLN A 74 64.027 -32.590 15.420 1.00 22.42 H new ATOM 1079 N LEU A 75 65.289 -25.078 14.260 1.00 10.35 N ATOM 1080 CA LEU A 75 66.193 -23.951 14.059 1.00 40.42 C ATOM 1081 C LEU A 75 65.433 -22.725 13.562 1.00 54.05 C ATOM 1082 O LEU A 75 64.205 -22.674 13.631 1.00 24.45 O ATOM 1083 CB LEU A 75 67.291 -24.325 13.060 1.00 3.33 C ATOM 1084 CG LEU A 75 67.979 -25.669 13.292 1.00 52.13 C ATOM 1085 CD1 LEU A 75 67.228 -26.783 12.579 1.00 51.14 C ATOM 1086 CD2 LEU A 75 69.427 -25.615 12.825 1.00 11.40 C ATOM 0 H LEU A 75 64.801 -25.382 13.418 1.00 10.35 H new ATOM 0 HA LEU A 75 66.650 -23.708 15.018 1.00 40.42 H new ATOM 0 HB2 LEU A 75 66.858 -24.329 12.060 1.00 3.33 H new ATOM 0 HB3 LEU A 75 68.050 -23.543 13.076 1.00 3.33 H new ATOM 0 HG LEU A 75 67.971 -25.880 14.361 1.00 52.13 H new ATOM 0 HD11 LEU A 75 67.733 -27.733 12.756 1.00 51.14 H new ATOM 0 HD12 LEU A 75 66.209 -26.837 12.961 1.00 51.14 H new ATOM 0 HD13 LEU A 75 67.204 -26.578 11.509 1.00 51.14 H new ATOM 0 HD21 LEU A 75 69.901 -26.581 12.998 1.00 11.40 H new ATOM 0 HD22 LEU A 75 69.458 -25.381 11.761 1.00 11.40 H new ATOM 0 HD23 LEU A 75 69.960 -24.844 13.381 1.00 11.40 H new ATOM 1098 N ARG A 76 66.171 -21.741 13.058 1.00 73.23 N ATOM 1099 CA ARG A 76 65.567 -20.517 12.549 1.00 64.42 C ATOM 1100 C ARG A 76 65.822 -20.367 11.051 1.00 10.13 C ATOM 1101 O ARG A 76 66.584 -21.134 10.462 1.00 12.42 O ATOM 1102 CB ARG A 76 66.121 -19.301 13.295 1.00 52.24 C ATOM 1103 CG ARG A 76 67.395 -18.739 12.685 1.00 50.42 C ATOM 1104 CD ARG A 76 68.509 -19.774 12.671 1.00 52.42 C ATOM 1105 NE ARG A 76 68.708 -20.382 13.984 1.00 20.31 N ATOM 1106 CZ ARG A 76 69.533 -21.399 14.205 1.00 63.20 C ATOM 1107 NH1 ARG A 76 70.233 -21.919 13.206 1.00 41.30 N ATOM 1108 NH2 ARG A 76 69.661 -21.897 15.428 1.00 15.21 N ATOM 0 H ARG A 76 67.188 -21.768 12.992 1.00 73.23 H new ATOM 0 HA ARG A 76 64.491 -20.577 12.713 1.00 64.42 H new ATOM 0 HB2 ARG A 76 65.361 -18.519 13.313 1.00 52.24 H new ATOM 0 HB3 ARG A 76 66.316 -19.579 14.331 1.00 52.24 H new ATOM 0 HG2 ARG A 76 67.195 -18.404 11.667 1.00 50.42 H new ATOM 0 HG3 ARG A 76 67.716 -17.865 13.251 1.00 50.42 H new ATOM 0 HD2 ARG A 76 68.273 -20.551 11.944 1.00 52.42 H new ATOM 0 HD3 ARG A 76 69.437 -19.304 12.345 1.00 52.42 H new ATOM 0 HE ARG A 76 68.185 -20.005 14.774 1.00 20.31 H new ATOM 0 HH11 ARG A 76 70.139 -21.538 12.265 1.00 41.30 H new ATOM 0 HH12 ARG A 76 70.866 -22.700 13.379 1.00 41.30 H new ATOM 0 HH21 ARG A 76 69.126 -21.499 16.199 1.00 15.21 H new ATOM 0 HH22 ARG A 76 70.295 -22.678 15.597 1.00 15.21 H new ATOM 1122 N ARG A 77 65.180 -19.376 10.444 1.00 5.31 N ATOM 1123 CA ARG A 77 65.335 -19.126 9.016 1.00 40.35 C ATOM 1124 C ARG A 77 66.779 -18.767 8.680 1.00 3.14 C ATOM 1125 O ARG A 77 67.388 -17.926 9.340 1.00 65.31 O ATOM 1126 CB ARG A 77 64.400 -18.002 8.567 1.00 23.35 C ATOM 1127 CG ARG A 77 64.790 -16.634 9.105 1.00 53.02 C ATOM 1128 CD ARG A 77 65.593 -15.843 8.085 1.00 44.32 C ATOM 1129 NE ARG A 77 64.766 -15.394 6.967 1.00 33.41 N ATOM 1130 CZ ARG A 77 65.153 -14.474 6.092 1.00 45.21 C ATOM 1131 NH1 ARG A 77 66.346 -13.908 6.202 1.00 23.11 N ATOM 1132 NH2 ARG A 77 64.343 -14.117 5.101 1.00 75.25 N ATOM 0 H ARG A 77 64.547 -18.732 10.918 1.00 5.31 H new ATOM 0 HA ARG A 77 65.073 -20.040 8.483 1.00 40.35 H new ATOM 0 HB2 ARG A 77 64.387 -17.965 7.478 1.00 23.35 H new ATOM 0 HB3 ARG A 77 63.385 -18.234 8.890 1.00 23.35 H new ATOM 0 HG2 ARG A 77 63.892 -16.078 9.373 1.00 53.02 H new ATOM 0 HG3 ARG A 77 65.375 -16.754 10.017 1.00 53.02 H new ATOM 0 HD2 ARG A 77 66.046 -14.979 8.571 1.00 44.32 H new ATOM 0 HD3 ARG A 77 66.408 -16.460 7.708 1.00 44.32 H new ATOM 0 HE ARG A 77 63.842 -15.810 6.853 1.00 33.41 H new ATOM 0 HH11 ARG A 77 66.971 -14.179 6.961 1.00 23.11 H new ATOM 0 HH12 ARG A 77 66.639 -13.201 5.527 1.00 23.11 H new ATOM 0 HH21 ARG A 77 63.424 -14.550 5.013 1.00 75.25 H new ATOM 0 HH22 ARG A 77 64.641 -13.410 4.429 1.00 75.25 H new ATOM 1146 N GLY A 78 67.320 -19.410 7.651 1.00 70.23 N ATOM 1147 CA GLY A 78 68.689 -19.144 7.246 1.00 13.24 C ATOM 1148 C GLY A 78 69.681 -20.083 7.904 1.00 43.33 C ATOM 1149 O GLY A 78 70.878 -19.803 7.944 1.00 63.32 O ATOM 0 H GLY A 78 66.836 -20.111 7.090 1.00 70.23 H new ATOM 0 HA2 GLY A 78 68.769 -19.237 6.163 1.00 13.24 H new ATOM 0 HA3 GLY A 78 68.946 -18.115 7.497 1.00 13.24 H new ATOM 1153 N ASP A 79 69.181 -21.200 8.423 1.00 62.00 N ATOM 1154 CA ASP A 79 70.032 -22.183 9.083 1.00 2.40 C ATOM 1155 C ASP A 79 70.848 -22.969 8.062 1.00 45.42 C ATOM 1156 O ASP A 79 70.317 -23.824 7.351 1.00 74.34 O ATOM 1157 CB ASP A 79 69.184 -23.141 9.922 1.00 33.23 C ATOM 1158 CG ASP A 79 69.783 -24.531 9.996 1.00 3.02 C ATOM 1159 OD1 ASP A 79 70.957 -24.650 10.402 1.00 60.14 O ATOM 1160 OD2 ASP A 79 69.078 -25.501 9.647 1.00 3.33 O ATOM 0 H ASP A 79 68.192 -21.447 8.399 1.00 62.00 H new ATOM 0 HA ASP A 79 70.720 -21.649 9.738 1.00 2.40 H new ATOM 0 HB2 ASP A 79 69.078 -22.740 10.930 1.00 33.23 H new ATOM 0 HB3 ASP A 79 68.182 -23.202 9.497 1.00 33.23 H new ATOM 1165 N THR A 80 72.141 -22.672 7.991 1.00 61.31 N ATOM 1166 CA THR A 80 73.030 -23.348 7.055 1.00 63.25 C ATOM 1167 C THR A 80 73.566 -24.648 7.646 1.00 2.43 C ATOM 1168 O THR A 80 74.387 -24.633 8.563 1.00 72.22 O ATOM 1169 CB THR A 80 74.219 -22.451 6.659 1.00 14.34 C ATOM 1170 OG1 THR A 80 75.257 -23.242 6.073 1.00 70.02 O ATOM 1171 CG2 THR A 80 74.762 -21.709 7.871 1.00 24.35 C ATOM 0 H THR A 80 72.596 -21.967 8.571 1.00 61.31 H new ATOM 0 HA THR A 80 72.440 -23.571 6.166 1.00 63.25 H new ATOM 0 HB THR A 80 73.868 -21.720 5.931 1.00 14.34 H new ATOM 0 HG1 THR A 80 75.713 -22.721 5.380 1.00 70.02 H new ATOM 0 HG21 THR A 80 75.601 -21.082 7.568 1.00 24.35 H new ATOM 0 HG22 THR A 80 73.977 -21.084 8.297 1.00 24.35 H new ATOM 0 HG23 THR A 80 75.098 -22.429 8.618 1.00 24.35 H new ATOM 1179 N LEU A 81 73.096 -25.772 7.114 1.00 5.35 N ATOM 1180 CA LEU A 81 73.528 -27.081 7.589 1.00 10.40 C ATOM 1181 C LEU A 81 74.638 -27.641 6.706 1.00 40.33 C ATOM 1182 O LEU A 81 74.541 -27.621 5.478 1.00 1.31 O ATOM 1183 CB LEU A 81 72.345 -28.051 7.617 1.00 21.23 C ATOM 1184 CG LEU A 81 71.399 -27.991 6.417 1.00 53.43 C ATOM 1185 CD1 LEU A 81 71.255 -29.366 5.783 1.00 43.34 C ATOM 1186 CD2 LEU A 81 70.039 -27.450 6.835 1.00 71.24 C ATOM 0 H LEU A 81 72.416 -25.802 6.354 1.00 5.35 H new ATOM 0 HA LEU A 81 73.918 -26.963 8.600 1.00 10.40 H new ATOM 0 HB2 LEU A 81 72.735 -29.066 7.696 1.00 21.23 H new ATOM 0 HB3 LEU A 81 71.766 -27.860 8.521 1.00 21.23 H new ATOM 0 HG LEU A 81 71.825 -27.314 5.677 1.00 53.43 H new ATOM 0 HD11 LEU A 81 70.578 -29.305 4.931 1.00 43.34 H new ATOM 0 HD12 LEU A 81 72.231 -29.716 5.447 1.00 43.34 H new ATOM 0 HD13 LEU A 81 70.852 -30.064 6.516 1.00 43.34 H new ATOM 0 HD21 LEU A 81 69.379 -27.415 5.968 1.00 71.24 H new ATOM 0 HD22 LEU A 81 69.606 -28.101 7.594 1.00 71.24 H new ATOM 0 HD23 LEU A 81 70.156 -26.446 7.243 1.00 71.24 H new ATOM 1198 N THR A 82 75.694 -28.145 7.339 1.00 44.33 N ATOM 1199 CA THR A 82 76.822 -28.712 6.611 1.00 63.12 C ATOM 1200 C THR A 82 76.663 -30.218 6.438 1.00 1.13 C ATOM 1201 O THR A 82 76.900 -30.988 7.369 1.00 32.41 O ATOM 1202 CB THR A 82 78.155 -28.426 7.329 1.00 10.53 C ATOM 1203 OG1 THR A 82 79.242 -28.981 6.582 1.00 23.02 O ATOM 1204 CG2 THR A 82 78.147 -29.011 8.734 1.00 73.32 C ATOM 0 H THR A 82 75.791 -28.172 8.354 1.00 44.33 H new ATOM 0 HA THR A 82 76.837 -28.236 5.630 1.00 63.12 H new ATOM 0 HB THR A 82 78.280 -27.346 7.402 1.00 10.53 H new ATOM 0 HG1 THR A 82 80.086 -28.794 7.044 1.00 23.02 H new ATOM 0 HG21 THR A 82 79.098 -28.797 9.223 1.00 73.32 H new ATOM 0 HG22 THR A 82 77.335 -28.565 9.309 1.00 73.32 H new ATOM 0 HG23 THR A 82 78.002 -30.090 8.678 1.00 73.32 H new ATOM 1212 N ILE A 83 76.261 -30.632 5.241 1.00 64.45 N ATOM 1213 CA ILE A 83 76.073 -32.047 4.946 1.00 42.12 C ATOM 1214 C ILE A 83 76.607 -32.396 3.560 1.00 13.04 C ATOM 1215 O ILE A 83 76.313 -31.713 2.580 1.00 34.11 O ATOM 1216 CB ILE A 83 74.588 -32.446 5.028 1.00 41.53 C ATOM 1217 CG1 ILE A 83 74.153 -33.141 3.736 1.00 40.13 C ATOM 1218 CG2 ILE A 83 73.724 -31.223 5.295 1.00 32.21 C ATOM 1219 CD1 ILE A 83 73.646 -32.186 2.677 1.00 21.33 C ATOM 0 H ILE A 83 76.059 -30.008 4.460 1.00 64.45 H new ATOM 0 HA ILE A 83 76.632 -32.603 5.698 1.00 42.12 H new ATOM 0 HB ILE A 83 74.460 -33.144 5.855 1.00 41.53 H new ATOM 0 HG12 ILE A 83 74.996 -33.703 3.334 1.00 40.13 H new ATOM 0 HG13 ILE A 83 73.370 -33.863 3.967 1.00 40.13 H new ATOM 0 HG21 ILE A 83 72.677 -31.522 5.350 1.00 32.21 H new ATOM 0 HG22 ILE A 83 74.021 -30.767 6.239 1.00 32.21 H new ATOM 0 HG23 ILE A 83 73.854 -30.503 4.487 1.00 32.21 H new ATOM 0 HD11 ILE A 83 73.355 -32.748 1.789 1.00 21.33 H new ATOM 0 HD12 ILE A 83 72.783 -31.642 3.061 1.00 21.33 H new ATOM 0 HD13 ILE A 83 74.434 -31.479 2.417 1.00 21.33 H new ATOM 1231 N GLY A 84 77.392 -33.467 3.487 1.00 24.15 N ATOM 1232 CA GLY A 84 77.953 -33.888 2.217 1.00 55.43 C ATOM 1233 C GLY A 84 79.086 -32.993 1.757 1.00 3.32 C ATOM 1234 O GLY A 84 80.162 -33.475 1.405 1.00 30.24 O ATOM 0 H GLY A 84 77.649 -34.050 4.284 1.00 24.15 H new ATOM 0 HA2 GLY A 84 78.316 -34.912 2.306 1.00 55.43 H new ATOM 0 HA3 GLY A 84 77.168 -33.893 1.461 1.00 55.43 H new ATOM 1238 N GLU A 85 78.843 -31.686 1.757 1.00 11.22 N ATOM 1239 CA GLU A 85 79.851 -30.721 1.334 1.00 11.20 C ATOM 1240 C GLU A 85 80.189 -29.755 2.465 1.00 54.50 C ATOM 1241 O GLU A 85 81.193 -29.920 3.156 1.00 74.12 O ATOM 1242 CB GLU A 85 79.362 -29.942 0.111 1.00 11.34 C ATOM 1243 CG GLU A 85 79.841 -30.519 -1.210 1.00 1.03 C ATOM 1244 CD GLU A 85 81.320 -30.286 -1.445 1.00 44.23 C ATOM 1245 OE1 GLU A 85 81.825 -29.217 -1.045 1.00 62.42 O ATOM 1246 OE2 GLU A 85 81.974 -31.176 -2.031 1.00 30.24 O ATOM 0 H GLU A 85 77.957 -31.271 2.045 1.00 11.22 H new ATOM 0 HA GLU A 85 80.754 -31.271 1.068 1.00 11.20 H new ATOM 0 HB2 GLU A 85 78.272 -29.922 0.115 1.00 11.34 H new ATOM 0 HB3 GLU A 85 79.700 -28.909 0.190 1.00 11.34 H new ATOM 0 HG2 GLU A 85 79.638 -31.590 -1.230 1.00 1.03 H new ATOM 0 HG3 GLU A 85 79.272 -30.072 -2.025 1.00 1.03 H new ATOM 1253 N GLU A 86 79.342 -28.747 2.647 1.00 31.01 N ATOM 1254 CA GLU A 86 79.552 -27.753 3.693 1.00 13.41 C ATOM 1255 C GLU A 86 78.225 -27.145 4.141 1.00 45.15 C ATOM 1256 O GLU A 86 77.223 -27.230 3.432 1.00 2.23 O ATOM 1257 CB GLU A 86 80.490 -26.651 3.201 1.00 64.54 C ATOM 1258 CG GLU A 86 81.800 -27.174 2.635 1.00 32.41 C ATOM 1259 CD GLU A 86 82.732 -26.062 2.195 1.00 72.11 C ATOM 1260 OE1 GLU A 86 82.231 -24.985 1.810 1.00 40.33 O ATOM 1261 OE2 GLU A 86 83.963 -26.269 2.238 1.00 3.24 O ATOM 0 H GLU A 86 78.505 -28.597 2.084 1.00 31.01 H new ATOM 0 HA GLU A 86 80.009 -28.254 4.547 1.00 13.41 H new ATOM 0 HB2 GLU A 86 79.980 -26.067 2.435 1.00 64.54 H new ATOM 0 HB3 GLU A 86 80.706 -25.973 4.027 1.00 64.54 H new ATOM 0 HG2 GLU A 86 82.299 -27.784 3.388 1.00 32.41 H new ATOM 0 HG3 GLU A 86 81.590 -27.824 1.786 1.00 32.41 H new ATOM 1268 N ASN A 87 78.229 -26.532 5.319 1.00 22.51 N ATOM 1269 CA ASN A 87 77.027 -25.910 5.862 1.00 41.33 C ATOM 1270 C ASN A 87 76.369 -25.002 4.826 1.00 21.43 C ATOM 1271 O ASN A 87 76.990 -24.066 4.322 1.00 75.12 O ATOM 1272 CB ASN A 87 77.364 -25.106 7.119 1.00 70.34 C ATOM 1273 CG ASN A 87 78.617 -24.268 6.949 1.00 74.41 C ATOM 1274 OD1 ASN A 87 79.773 -24.877 7.190 1.00 14.30 O flip ATOM 1275 ND2 ASN A 87 78.546 -23.088 6.607 1.00 41.23 N flip ATOM 0 H ASN A 87 79.052 -26.452 5.917 1.00 22.51 H new ATOM 0 HA ASN A 87 76.326 -26.703 6.124 1.00 41.33 H new ATOM 0 HB2 ASN A 87 76.525 -24.455 7.367 1.00 70.34 H new ATOM 0 HB3 ASN A 87 77.497 -25.788 7.959 1.00 70.34 H new ATOM 0 HD21 ASN A 87 77.636 -22.661 6.432 1.00 41.23 H new ATOM 0 HD22 ASN A 87 79.397 -22.536 6.498 1.00 41.23 H new ATOM 1282 N PHE A 88 75.109 -25.285 4.514 1.00 61.11 N ATOM 1283 CA PHE A 88 74.367 -24.495 3.538 1.00 30.20 C ATOM 1284 C PHE A 88 72.993 -24.113 4.080 1.00 41.42 C ATOM 1285 O PHE A 88 72.178 -24.980 4.399 1.00 71.12 O ATOM 1286 CB PHE A 88 74.215 -25.272 2.229 1.00 74.41 C ATOM 1287 CG PHE A 88 75.518 -25.781 1.680 1.00 1.41 C ATOM 1288 CD1 PHE A 88 76.651 -24.984 1.700 1.00 14.02 C ATOM 1289 CD2 PHE A 88 75.607 -27.054 1.141 1.00 35.33 C ATOM 1290 CE1 PHE A 88 77.851 -25.449 1.194 1.00 34.44 C ATOM 1291 CE2 PHE A 88 76.804 -27.525 0.635 1.00 0.14 C ATOM 1292 CZ PHE A 88 77.927 -26.721 0.661 1.00 21.31 C ATOM 0 H PHE A 88 74.580 -26.055 4.923 1.00 61.11 H new ATOM 0 HA PHE A 88 74.929 -23.581 3.345 1.00 30.20 H new ATOM 0 HB2 PHE A 88 73.544 -26.115 2.392 1.00 74.41 H new ATOM 0 HB3 PHE A 88 73.743 -24.629 1.486 1.00 74.41 H new ATOM 0 HD1 PHE A 88 76.596 -23.989 2.115 1.00 14.02 H new ATOM 0 HD2 PHE A 88 74.731 -27.686 1.116 1.00 35.33 H new ATOM 0 HE1 PHE A 88 78.728 -24.818 1.216 1.00 34.44 H new ATOM 0 HE2 PHE A 88 76.861 -28.520 0.220 1.00 0.14 H new ATOM 0 HZ PHE A 88 78.863 -27.086 0.265 1.00 21.31 H new ATOM 1302 N TRP A 89 72.742 -22.813 4.179 1.00 34.31 N ATOM 1303 CA TRP A 89 71.466 -22.317 4.683 1.00 62.35 C ATOM 1304 C TRP A 89 70.423 -22.274 3.572 1.00 65.01 C ATOM 1305 O TRP A 89 70.710 -21.850 2.452 1.00 61.43 O ATOM 1306 CB TRP A 89 71.641 -20.924 5.290 1.00 43.34 C ATOM 1307 CG TRP A 89 72.341 -19.962 4.377 1.00 54.50 C ATOM 1308 CD1 TRP A 89 73.676 -19.676 4.357 1.00 31.41 C ATOM 1309 CD2 TRP A 89 71.740 -19.160 3.355 1.00 63.11 C ATOM 1310 NE1 TRP A 89 73.942 -18.743 3.383 1.00 31.03 N ATOM 1311 CE2 TRP A 89 72.771 -18.411 2.754 1.00 31.04 C ATOM 1312 CE3 TRP A 89 70.433 -19.001 2.887 1.00 55.11 C ATOM 1313 CZ2 TRP A 89 72.533 -17.519 1.711 1.00 20.14 C ATOM 1314 CZ3 TRP A 89 70.198 -18.116 1.853 1.00 2.23 C ATOM 1315 CH2 TRP A 89 71.243 -17.385 1.274 1.00 20.14 C ATOM 0 H TRP A 89 73.405 -22.083 3.917 1.00 34.31 H new ATOM 0 HA TRP A 89 71.118 -23.001 5.457 1.00 62.35 H new ATOM 0 HB2 TRP A 89 70.661 -20.522 5.548 1.00 43.34 H new ATOM 0 HB3 TRP A 89 72.205 -21.008 6.219 1.00 43.34 H new ATOM 0 HD1 TRP A 89 74.414 -20.118 5.010 1.00 31.41 H new ATOM 0 HE1 TRP A 89 74.862 -18.360 3.164 1.00 31.03 H new ATOM 0 HE3 TRP A 89 69.620 -19.561 3.326 1.00 55.11 H new ATOM 0 HZ2 TRP A 89 73.337 -16.954 1.263 1.00 20.14 H new ATOM 0 HZ3 TRP A 89 69.191 -17.985 1.485 1.00 2.23 H new ATOM 0 HH2 TRP A 89 71.026 -16.702 0.466 1.00 20.14 H new ATOM 1326 N VAL A 90 69.209 -22.714 3.888 1.00 55.03 N ATOM 1327 CA VAL A 90 68.122 -22.725 2.916 1.00 70.42 C ATOM 1328 C VAL A 90 67.389 -21.388 2.898 1.00 15.23 C ATOM 1329 O VAL A 90 67.135 -20.794 3.947 1.00 61.25 O ATOM 1330 CB VAL A 90 67.113 -23.849 3.215 1.00 0.23 C ATOM 1331 CG1 VAL A 90 66.366 -23.565 4.511 1.00 64.13 C ATOM 1332 CG2 VAL A 90 66.142 -24.014 2.056 1.00 1.30 C ATOM 0 H VAL A 90 68.954 -23.068 4.810 1.00 55.03 H new ATOM 0 HA VAL A 90 68.571 -22.903 1.939 1.00 70.42 H new ATOM 0 HB VAL A 90 67.661 -24.783 3.336 1.00 0.23 H new ATOM 0 HG11 VAL A 90 65.657 -24.370 4.706 1.00 64.13 H new ATOM 0 HG12 VAL A 90 67.077 -23.500 5.334 1.00 64.13 H new ATOM 0 HG13 VAL A 90 65.828 -22.621 4.421 1.00 64.13 H new ATOM 0 HG21 VAL A 90 65.436 -24.812 2.284 1.00 1.30 H new ATOM 0 HG22 VAL A 90 65.598 -23.082 1.901 1.00 1.30 H new ATOM 0 HG23 VAL A 90 66.695 -24.266 1.151 1.00 1.30 H new ATOM 1342 N ASP A 91 67.050 -20.922 1.702 1.00 20.12 N ATOM 1343 CA ASP A 91 66.344 -19.655 1.546 1.00 14.33 C ATOM 1344 C ASP A 91 64.908 -19.770 2.051 1.00 31.45 C ATOM 1345 O ASP A 91 64.398 -18.864 2.712 1.00 31.32 O ATOM 1346 CB ASP A 91 66.349 -19.220 0.081 1.00 11.30 C ATOM 1347 CG ASP A 91 66.747 -17.767 -0.090 1.00 61.11 C ATOM 1348 OD1 ASP A 91 66.227 -16.917 0.663 1.00 41.23 O ATOM 1349 OD2 ASP A 91 67.579 -17.480 -0.976 1.00 53.25 O ATOM 0 H ASP A 91 67.252 -21.402 0.825 1.00 20.12 H new ATOM 0 HA ASP A 91 66.862 -18.902 2.141 1.00 14.33 H new ATOM 0 HB2 ASP A 91 67.038 -19.851 -0.480 1.00 11.30 H new ATOM 0 HB3 ASP A 91 65.357 -19.375 -0.344 1.00 11.30 H new ATOM 1354 N ARG A 92 64.261 -20.886 1.734 1.00 53.14 N ATOM 1355 CA ARG A 92 62.884 -21.117 2.152 1.00 35.22 C ATOM 1356 C ARG A 92 62.541 -22.603 2.100 1.00 24.13 C ATOM 1357 O ARG A 92 62.921 -23.305 1.163 1.00 41.23 O ATOM 1358 CB ARG A 92 61.920 -20.328 1.265 1.00 1.43 C ATOM 1359 CG ARG A 92 60.561 -20.092 1.903 1.00 5.30 C ATOM 1360 CD ARG A 92 60.649 -19.101 3.053 1.00 21.11 C ATOM 1361 NE ARG A 92 61.083 -17.780 2.605 1.00 34.45 N ATOM 1362 CZ ARG A 92 61.380 -16.785 3.433 1.00 62.53 C ATOM 1363 NH1 ARG A 92 61.291 -16.959 4.744 1.00 41.31 N ATOM 1364 NH2 ARG A 92 61.768 -15.611 2.949 1.00 55.22 N ATOM 0 H ARG A 92 64.669 -21.645 1.188 1.00 53.14 H new ATOM 0 HA ARG A 92 62.782 -20.775 3.182 1.00 35.22 H new ATOM 0 HB2 ARG A 92 62.369 -19.365 1.021 1.00 1.43 H new ATOM 0 HB3 ARG A 92 61.783 -20.863 0.326 1.00 1.43 H new ATOM 0 HG2 ARG A 92 59.865 -19.718 1.152 1.00 5.30 H new ATOM 0 HG3 ARG A 92 60.159 -21.038 2.267 1.00 5.30 H new ATOM 0 HD2 ARG A 92 59.675 -19.018 3.536 1.00 21.11 H new ATOM 0 HD3 ARG A 92 61.345 -19.477 3.803 1.00 21.11 H new ATOM 0 HE ARG A 92 61.162 -17.613 1.602 1.00 34.45 H new ATOM 0 HH11 ARG A 92 60.994 -17.859 5.120 1.00 41.31 H new ATOM 0 HH12 ARG A 92 61.520 -16.193 5.377 1.00 41.31 H new ATOM 0 HH21 ARG A 92 61.838 -15.473 1.941 1.00 55.22 H new ATOM 0 HH22 ARG A 92 61.996 -14.847 3.585 1.00 55.22 H new ATOM 1378 N VAL A 93 61.822 -23.076 3.112 1.00 24.13 N ATOM 1379 CA VAL A 93 61.427 -24.477 3.181 1.00 42.23 C ATOM 1380 C VAL A 93 59.921 -24.615 3.378 1.00 33.31 C ATOM 1381 O VAL A 93 59.389 -24.268 4.432 1.00 33.23 O ATOM 1382 CB VAL A 93 62.154 -25.209 4.324 1.00 13.33 C ATOM 1383 CG1 VAL A 93 63.385 -25.932 3.800 1.00 0.54 C ATOM 1384 CG2 VAL A 93 62.529 -24.232 5.429 1.00 52.32 C ATOM 0 H VAL A 93 61.501 -22.509 3.896 1.00 24.13 H new ATOM 0 HA VAL A 93 61.708 -24.933 2.232 1.00 42.23 H new ATOM 0 HB VAL A 93 61.477 -25.954 4.743 1.00 13.33 H new ATOM 0 HG11 VAL A 93 63.885 -26.443 4.623 1.00 0.54 H new ATOM 0 HG12 VAL A 93 63.086 -26.662 3.048 1.00 0.54 H new ATOM 0 HG13 VAL A 93 64.068 -25.210 3.353 1.00 0.54 H new ATOM 0 HG21 VAL A 93 63.042 -24.766 6.229 1.00 52.32 H new ATOM 0 HG22 VAL A 93 63.188 -23.462 5.026 1.00 52.32 H new ATOM 0 HG23 VAL A 93 61.626 -23.766 5.825 1.00 52.32 H new ATOM 1394 N SER A 94 59.240 -25.125 2.357 1.00 14.15 N ATOM 1395 CA SER A 94 57.795 -25.307 2.418 1.00 4.33 C ATOM 1396 C SER A 94 57.412 -26.740 2.062 1.00 12.11 C ATOM 1397 O SER A 94 57.513 -27.170 0.913 1.00 41.22 O ATOM 1398 CB SER A 94 57.097 -24.330 1.470 1.00 64.25 C ATOM 1399 OG SER A 94 55.791 -24.776 1.148 1.00 43.25 O ATOM 0 H SER A 94 59.666 -25.419 1.478 1.00 14.15 H new ATOM 0 HA SER A 94 57.471 -25.106 3.439 1.00 4.33 H new ATOM 0 HB2 SER A 94 57.044 -23.345 1.933 1.00 64.25 H new ATOM 0 HB3 SER A 94 57.683 -24.223 0.557 1.00 64.25 H new ATOM 0 HG SER A 94 55.366 -24.133 0.542 1.00 43.25 H new ATOM 1405 N PRO A 95 56.962 -27.499 3.072 1.00 55.24 N ATOM 1406 CA PRO A 95 56.554 -28.896 2.891 1.00 12.22 C ATOM 1407 C PRO A 95 55.263 -29.024 2.090 1.00 24.24 C ATOM 1408 O PRO A 95 54.461 -28.091 2.034 1.00 12.52 O ATOM 1409 CB PRO A 95 56.345 -29.393 4.324 1.00 1.03 C ATOM 1410 CG PRO A 95 56.033 -28.165 5.109 1.00 3.55 C ATOM 1411 CD PRO A 95 56.815 -27.053 4.467 1.00 34.11 C ATOM 0 HA PRO A 95 57.294 -29.467 2.330 1.00 12.22 H new ATOM 0 HB2 PRO A 95 55.530 -30.115 4.378 1.00 1.03 H new ATOM 0 HB3 PRO A 95 57.237 -29.890 4.705 1.00 1.03 H new ATOM 0 HG2 PRO A 95 54.964 -27.951 5.091 1.00 3.55 H new ATOM 0 HG3 PRO A 95 56.316 -28.288 6.154 1.00 3.55 H new ATOM 0 HD2 PRO A 95 56.287 -26.102 4.531 1.00 34.11 H new ATOM 0 HD3 PRO A 95 57.783 -26.913 4.948 1.00 34.11 H new ATOM 1419 N ASP A 96 55.069 -30.184 1.472 1.00 3.13 N ATOM 1420 CA ASP A 96 53.873 -30.434 0.675 1.00 45.32 C ATOM 1421 C ASP A 96 53.009 -31.515 1.316 1.00 50.13 C ATOM 1422 O ASP A 96 51.800 -31.571 1.091 1.00 10.02 O ATOM 1423 CB ASP A 96 54.259 -30.848 -0.747 1.00 35.34 C ATOM 1424 CG ASP A 96 54.907 -29.718 -1.523 1.00 15.51 C ATOM 1425 OD1 ASP A 96 54.216 -28.714 -1.794 1.00 22.33 O ATOM 1426 OD2 ASP A 96 56.102 -29.839 -1.859 1.00 74.42 O ATOM 0 H ASP A 96 55.724 -30.965 1.507 1.00 3.13 H new ATOM 0 HA ASP A 96 53.295 -29.511 0.632 1.00 45.32 H new ATOM 0 HB2 ASP A 96 54.945 -31.694 -0.703 1.00 35.34 H new ATOM 0 HB3 ASP A 96 53.369 -31.186 -1.278 1.00 35.34 H new ATOM 1457 N SER A 100 58.404 -32.052 3.681 1.00 31.42 N ATOM 1458 CA SER A 100 59.108 -32.364 2.442 1.00 14.11 C ATOM 1459 C SER A 100 59.731 -31.109 1.840 1.00 71.23 C ATOM 1460 O SER A 100 60.268 -31.140 0.732 1.00 72.35 O ATOM 1461 CB SER A 100 58.150 -33.005 1.436 1.00 73.10 C ATOM 1462 OG SER A 100 58.207 -34.419 1.507 1.00 64.03 O ATOM 0 HA SER A 100 59.907 -33.069 2.674 1.00 14.11 H new ATOM 0 HB2 SER A 100 57.132 -32.669 1.633 1.00 73.10 H new ATOM 0 HB3 SER A 100 58.404 -32.678 0.428 1.00 73.10 H new ATOM 0 HG SER A 100 57.585 -34.805 0.856 1.00 64.03 H new ATOM 1468 N CYS A 101 59.657 -30.007 2.578 1.00 43.44 N ATOM 1469 CA CYS A 101 60.214 -28.739 2.117 1.00 51.51 C ATOM 1470 C CYS A 101 61.576 -28.949 1.466 1.00 20.50 C ATOM 1471 O CYS A 101 62.367 -29.783 1.910 1.00 64.41 O ATOM 1472 CB CYS A 101 60.338 -27.759 3.284 1.00 13.54 C ATOM 1473 SG CYS A 101 60.869 -28.521 4.835 1.00 73.31 S ATOM 0 H CYS A 101 59.217 -29.965 3.497 1.00 43.44 H new ATOM 0 HA CYS A 101 59.536 -28.321 1.372 1.00 51.51 H new ATOM 0 HB2 CYS A 101 61.048 -26.977 3.014 1.00 13.54 H new ATOM 0 HB3 CYS A 101 59.375 -27.274 3.441 1.00 13.54 H new ATOM 0 HG CYS A 101 61.110 -29.783 4.638 1.00 73.31 H new ATOM 1479 N HIS A 102 61.845 -28.188 0.410 1.00 64.34 N ATOM 1480 CA HIS A 102 63.113 -28.291 -0.305 1.00 3.24 C ATOM 1481 C HIS A 102 63.365 -27.044 -1.147 1.00 3.44 C ATOM 1482 O HIS A 102 62.531 -26.656 -1.965 1.00 45.11 O ATOM 1483 CB HIS A 102 63.120 -29.533 -1.196 1.00 62.23 C ATOM 1484 CG HIS A 102 62.031 -29.539 -2.224 1.00 20.05 C ATOM 1485 ND1 HIS A 102 60.767 -30.033 -1.978 1.00 23.55 N ATOM 1486 CD2 HIS A 102 62.020 -29.107 -3.507 1.00 21.53 C ATOM 1487 CE1 HIS A 102 60.027 -29.905 -3.065 1.00 61.42 C ATOM 1488 NE2 HIS A 102 60.764 -29.345 -4.007 1.00 65.21 N ATOM 0 H HIS A 102 61.202 -27.493 0.030 1.00 64.34 H new ATOM 0 HA HIS A 102 63.912 -28.377 0.432 1.00 3.24 H new ATOM 0 HB2 HIS A 102 64.084 -29.603 -1.700 1.00 62.23 H new ATOM 0 HB3 HIS A 102 63.022 -30.420 -0.570 1.00 62.23 H new ATOM 0 HD1 HIS A 102 60.453 -30.435 -1.095 1.00 23.55 H new ATOM 0 HD2 HIS A 102 62.846 -28.658 -4.039 1.00 21.53 H new ATOM 0 HE1 HIS A 102 58.995 -30.207 -3.166 1.00 61.42 H new ATOM 1496 N LEU A 103 64.519 -26.419 -0.939 1.00 13.22 N ATOM 1497 CA LEU A 103 64.881 -25.215 -1.679 1.00 71.30 C ATOM 1498 C LEU A 103 66.396 -25.087 -1.801 1.00 64.40 C ATOM 1499 O LEU A 103 67.143 -25.629 -0.986 1.00 44.51 O ATOM 1500 CB LEU A 103 64.307 -23.977 -0.988 1.00 21.33 C ATOM 1501 CG LEU A 103 64.587 -22.637 -1.670 1.00 15.11 C ATOM 1502 CD1 LEU A 103 63.448 -21.662 -1.418 1.00 31.55 C ATOM 1503 CD2 LEU A 103 65.907 -22.057 -1.184 1.00 41.10 C ATOM 0 H LEU A 103 65.220 -26.726 -0.264 1.00 13.22 H new ATOM 0 HA LEU A 103 64.459 -25.293 -2.681 1.00 71.30 H new ATOM 0 HB2 LEU A 103 63.227 -24.100 -0.904 1.00 21.33 H new ATOM 0 HB3 LEU A 103 64.703 -23.935 0.027 1.00 21.33 H new ATOM 0 HG LEU A 103 64.662 -22.806 -2.744 1.00 15.11 H new ATOM 0 HD11 LEU A 103 63.665 -20.714 -1.911 1.00 31.55 H new ATOM 0 HD12 LEU A 103 62.521 -22.075 -1.816 1.00 31.55 H new ATOM 0 HD13 LEU A 103 63.341 -21.497 -0.346 1.00 31.55 H new ATOM 0 HD21 LEU A 103 66.090 -21.104 -1.680 1.00 41.10 H new ATOM 0 HD22 LEU A 103 65.862 -21.903 -0.106 1.00 41.10 H new ATOM 0 HD23 LEU A 103 66.716 -22.749 -1.418 1.00 41.10 H new ATOM 1515 N TRP A 104 66.842 -24.364 -2.823 1.00 31.44 N ATOM 1516 CA TRP A 104 68.268 -24.162 -3.050 1.00 43.13 C ATOM 1517 C TRP A 104 68.887 -23.334 -1.930 1.00 2.25 C ATOM 1518 O TRP A 104 68.593 -22.146 -1.788 1.00 2.43 O ATOM 1519 CB TRP A 104 68.498 -23.474 -4.397 1.00 2.14 C ATOM 1520 CG TRP A 104 67.812 -22.146 -4.510 1.00 51.34 C ATOM 1521 CD1 TRP A 104 66.499 -21.925 -4.815 1.00 43.34 C ATOM 1522 CD2 TRP A 104 68.404 -20.857 -4.321 1.00 20.32 C ATOM 1523 NE1 TRP A 104 66.240 -20.576 -4.827 1.00 41.23 N ATOM 1524 CE2 TRP A 104 67.392 -19.899 -4.526 1.00 70.54 C ATOM 1525 CE3 TRP A 104 69.690 -20.417 -3.997 1.00 74.42 C ATOM 1526 CZ2 TRP A 104 67.629 -18.531 -4.419 1.00 3.11 C ATOM 1527 CZ3 TRP A 104 69.925 -19.060 -3.890 1.00 0.44 C ATOM 1528 CH2 TRP A 104 68.898 -18.130 -4.100 1.00 24.22 C ATOM 0 H TRP A 104 66.237 -23.909 -3.506 1.00 31.44 H new ATOM 0 HA TRP A 104 68.750 -25.139 -3.062 1.00 43.13 H new ATOM 0 HB2 TRP A 104 69.569 -23.336 -4.548 1.00 2.14 H new ATOM 0 HB3 TRP A 104 68.145 -24.127 -5.195 1.00 2.14 H new ATOM 0 HD1 TRP A 104 65.772 -22.697 -5.017 1.00 43.34 H new ATOM 0 HE1 TRP A 104 65.336 -20.148 -5.028 1.00 41.23 H new ATOM 0 HE3 TRP A 104 70.488 -21.127 -3.833 1.00 74.42 H new ATOM 0 HZ2 TRP A 104 66.840 -17.812 -4.582 1.00 3.11 H new ATOM 0 HZ3 TRP A 104 70.916 -18.710 -3.641 1.00 0.44 H new ATOM 0 HH2 TRP A 104 69.112 -17.075 -4.008 1.00 24.22 H new ATOM 1539 N LEU A 105 69.744 -23.965 -1.136 1.00 54.14 N ATOM 1540 CA LEU A 105 70.404 -23.286 -0.028 1.00 13.11 C ATOM 1541 C LEU A 105 71.693 -22.613 -0.491 1.00 1.24 C ATOM 1542 O LEU A 105 72.228 -22.937 -1.550 1.00 4.04 O ATOM 1543 CB LEU A 105 70.709 -24.278 1.096 1.00 74.32 C ATOM 1544 CG LEU A 105 70.997 -25.716 0.662 1.00 1.12 C ATOM 1545 CD1 LEU A 105 72.200 -25.763 -0.268 1.00 33.41 C ATOM 1546 CD2 LEU A 105 71.224 -26.605 1.877 1.00 44.44 C ATOM 0 H LEU A 105 69.998 -24.947 -1.239 1.00 54.14 H new ATOM 0 HA LEU A 105 69.729 -22.517 0.348 1.00 13.11 H new ATOM 0 HB2 LEU A 105 71.569 -23.909 1.655 1.00 74.32 H new ATOM 0 HB3 LEU A 105 69.863 -24.290 1.783 1.00 74.32 H new ATOM 0 HG LEU A 105 70.130 -26.092 0.119 1.00 1.12 H new ATOM 0 HD11 LEU A 105 72.389 -26.794 -0.566 1.00 33.41 H new ATOM 0 HD12 LEU A 105 71.999 -25.160 -1.154 1.00 33.41 H new ATOM 0 HD13 LEU A 105 73.075 -25.368 0.249 1.00 33.41 H new ATOM 0 HD21 LEU A 105 71.427 -27.624 1.549 1.00 44.44 H new ATOM 0 HD22 LEU A 105 72.074 -26.231 2.448 1.00 44.44 H new ATOM 0 HD23 LEU A 105 70.333 -26.597 2.505 1.00 44.44 H new ATOM 1558 N GLY A 106 72.186 -21.676 0.312 1.00 24.42 N ATOM 1559 CA GLY A 106 73.409 -20.974 -0.031 1.00 24.50 C ATOM 1560 C GLY A 106 74.648 -21.686 0.473 1.00 62.00 C ATOM 1561 O GLY A 106 74.570 -22.516 1.379 1.00 21.32 O ATOM 0 H GLY A 106 71.761 -21.390 1.194 1.00 24.42 H new ATOM 0 HA2 GLY A 106 73.471 -20.867 -1.114 1.00 24.50 H new ATOM 0 HA3 GLY A 106 73.376 -19.968 0.388 1.00 24.50 H new ATOM 1565 N ARG A 107 75.796 -21.362 -0.114 1.00 45.14 N ATOM 1566 CA ARG A 107 77.056 -21.980 0.279 1.00 32.43 C ATOM 1567 C ARG A 107 77.468 -21.531 1.679 1.00 64.24 C ATOM 1568 O ARG A 107 77.024 -20.491 2.163 1.00 23.10 O ATOM 1569 CB ARG A 107 78.156 -21.629 -0.725 1.00 41.12 C ATOM 1570 CG ARG A 107 78.798 -20.274 -0.476 1.00 3.53 C ATOM 1571 CD ARG A 107 79.141 -19.572 -1.781 1.00 54.25 C ATOM 1572 NE ARG A 107 80.227 -20.242 -2.492 1.00 22.51 N ATOM 1573 CZ ARG A 107 81.490 -20.235 -2.079 1.00 64.11 C ATOM 1574 NH1 ARG A 107 81.823 -19.598 -0.966 1.00 35.42 N ATOM 1575 NH2 ARG A 107 82.422 -20.868 -2.781 1.00 64.41 N ATOM 0 H ARG A 107 75.879 -20.675 -0.863 1.00 45.14 H new ATOM 0 HA ARG A 107 76.914 -23.061 0.289 1.00 32.43 H new ATOM 0 HB2 ARG A 107 78.927 -22.399 -0.690 1.00 41.12 H new ATOM 0 HB3 ARG A 107 77.736 -21.643 -1.731 1.00 41.12 H new ATOM 0 HG2 ARG A 107 78.120 -19.650 0.107 1.00 3.53 H new ATOM 0 HG3 ARG A 107 79.703 -20.402 0.118 1.00 3.53 H new ATOM 0 HD2 ARG A 107 78.257 -19.538 -2.418 1.00 54.25 H new ATOM 0 HD3 ARG A 107 79.425 -18.540 -1.574 1.00 54.25 H new ATOM 0 HE ARG A 107 80.004 -20.742 -3.352 1.00 22.51 H new ATOM 0 HH11 ARG A 107 81.109 -19.111 -0.424 1.00 35.42 H new ATOM 0 HH12 ARG A 107 82.793 -19.594 -0.651 1.00 35.42 H new ATOM 0 HH21 ARG A 107 82.169 -21.360 -3.638 1.00 64.41 H new ATOM 0 HH22 ARG A 107 83.391 -20.862 -2.464 1.00 64.41 H new ATOM 1589 N GLY A 108 78.320 -22.324 2.323 1.00 45.20 N ATOM 1590 CA GLY A 108 78.776 -21.991 3.660 1.00 44.34 C ATOM 1591 C GLY A 108 79.854 -22.934 4.155 1.00 1.42 C ATOM 1592 O GLY A 108 79.576 -24.087 4.488 1.00 31.10 O ATOM 0 H GLY A 108 78.702 -23.190 1.943 1.00 45.20 H new ATOM 0 HA2 GLY A 108 79.159 -20.971 3.667 1.00 44.34 H new ATOM 0 HA3 GLY A 108 77.930 -22.018 4.347 1.00 44.34 H new ATOM 1596 N VAL A 109 81.090 -22.446 4.202 1.00 12.52 N ATOM 1597 CA VAL A 109 82.214 -23.254 4.660 1.00 32.24 C ATOM 1598 C VAL A 109 82.428 -23.096 6.162 1.00 51.44 C ATOM 1599 O VAL A 109 82.424 -21.990 6.702 1.00 1.23 O ATOM 1600 CB VAL A 109 83.513 -22.875 3.925 1.00 64.35 C ATOM 1601 CG1 VAL A 109 83.858 -21.414 4.168 1.00 23.45 C ATOM 1602 CG2 VAL A 109 84.655 -23.781 4.360 1.00 24.45 C ATOM 0 H VAL A 109 81.338 -21.495 3.928 1.00 12.52 H new ATOM 0 HA VAL A 109 81.969 -24.293 4.438 1.00 32.24 H new ATOM 0 HB VAL A 109 83.358 -23.013 2.855 1.00 64.35 H new ATOM 0 HG11 VAL A 109 84.779 -21.165 3.641 1.00 23.45 H new ATOM 0 HG12 VAL A 109 83.048 -20.783 3.802 1.00 23.45 H new ATOM 0 HG13 VAL A 109 83.995 -21.245 5.236 1.00 23.45 H new ATOM 0 HG21 VAL A 109 85.565 -23.499 3.831 1.00 24.45 H new ATOM 0 HG22 VAL A 109 84.813 -23.678 5.434 1.00 24.45 H new ATOM 0 HG23 VAL A 109 84.406 -24.817 4.128 1.00 24.45 H new ATOM 1612 N PRO A 110 82.620 -24.229 6.853 1.00 34.14 N ATOM 1613 CA PRO A 110 82.841 -24.244 8.302 1.00 22.41 C ATOM 1614 C PRO A 110 84.197 -23.663 8.688 1.00 63.11 C ATOM 1615 O PRO A 110 85.068 -23.445 7.846 1.00 74.12 O ATOM 1616 CB PRO A 110 82.777 -25.733 8.656 1.00 23.14 C ATOM 1617 CG PRO A 110 83.155 -26.436 7.399 1.00 42.13 C ATOM 1618 CD PRO A 110 82.638 -25.584 6.274 1.00 24.33 C ATOM 0 HA PRO A 110 82.109 -23.634 8.832 1.00 22.41 H new ATOM 0 HB2 PRO A 110 83.462 -25.977 9.468 1.00 23.14 H new ATOM 0 HB3 PRO A 110 81.778 -26.019 8.985 1.00 23.14 H new ATOM 0 HG2 PRO A 110 84.236 -26.558 7.331 1.00 42.13 H new ATOM 0 HG3 PRO A 110 82.719 -27.434 7.364 1.00 42.13 H new ATOM 0 HD2 PRO A 110 83.285 -25.638 5.399 1.00 24.33 H new ATOM 0 HD3 PRO A 110 81.644 -25.898 5.956 1.00 24.33 H new