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 155:sc= -6.5! USER MOD Set 1.2: A 87 ASN : amide:sc= -3.04 K(o=-9.5,f=-22!) USER MOD Single : A 25 THR OG1 : rot 27:sc= -1.79 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0606 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 66:sc= 0.095 USER MOD Single : A 31 SER OG : rot 180:sc= -1.68! USER MOD Single : A 34 GLN : amide:sc=-0.00731 X(o=-0.0073,f=0) USER MOD Single : A 35 SER OG : rot 25:sc= 0.0457 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= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.485 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 60:sc= -1.55 USER MOD Single : A 102 HIS : no HD1:sc= -0.21 K(o=-0.21,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 356 N THR A 25 68.687 -38.000 4.910 1.00 41.34 N ATOM 357 CA THR A 25 70.123 -37.827 4.737 1.00 43.51 C ATOM 358 C THR A 25 70.769 -37.287 6.008 1.00 61.22 C ATOM 359 O THR A 25 70.273 -36.337 6.613 1.00 2.41 O ATOM 360 CB THR A 25 70.438 -36.872 3.571 1.00 54.35 C ATOM 361 OG1 THR A 25 69.950 -37.422 2.341 1.00 21.15 O ATOM 362 CG2 THR A 25 71.935 -36.624 3.461 1.00 12.11 C ATOM 0 HA THR A 25 70.534 -38.811 4.513 1.00 43.51 H new ATOM 0 HB THR A 25 69.942 -35.921 3.767 1.00 54.35 H new ATOM 0 HG1 THR A 25 69.190 -38.013 2.526 1.00 21.15 H new ATOM 0 HG21 THR A 25 72.131 -35.946 2.630 1.00 12.11 H new ATOM 0 HG22 THR A 25 72.299 -36.178 4.387 1.00 12.11 H new ATOM 0 HG23 THR A 25 72.449 -37.570 3.287 1.00 12.11 H new ATOM 370 N SER A 26 71.880 -37.899 6.408 1.00 22.43 N ATOM 371 CA SER A 26 72.593 -37.481 7.610 1.00 75.31 C ATOM 372 C SER A 26 73.288 -36.141 7.392 1.00 53.23 C ATOM 373 O SER A 26 74.097 -35.992 6.476 1.00 11.21 O ATOM 374 CB SER A 26 73.618 -38.541 8.014 1.00 62.21 C ATOM 375 OG SER A 26 74.071 -39.269 6.886 1.00 42.22 O ATOM 0 H SER A 26 72.305 -38.686 5.917 1.00 22.43 H new ATOM 0 HA SER A 26 71.865 -37.365 8.413 1.00 75.31 H new ATOM 0 HB2 SER A 26 74.465 -38.063 8.506 1.00 62.21 H new ATOM 0 HB3 SER A 26 73.173 -39.225 8.737 1.00 62.21 H new ATOM 0 HG SER A 26 74.727 -39.939 7.171 1.00 42.22 H new ATOM 381 N ALA A 27 72.965 -35.170 8.239 1.00 51.22 N ATOM 382 CA ALA A 27 73.559 -33.842 8.141 1.00 25.20 C ATOM 383 C ALA A 27 73.874 -33.278 9.522 1.00 40.14 C ATOM 384 O ALA A 27 73.357 -33.756 10.532 1.00 63.00 O ATOM 385 CB ALA A 27 72.632 -32.904 7.383 1.00 13.24 C ATOM 0 H ALA A 27 72.295 -35.278 9.001 1.00 51.22 H new ATOM 0 HA ALA A 27 74.496 -33.930 7.592 1.00 25.20 H new ATOM 0 HB1 ALA A 27 73.088 -31.916 7.317 1.00 13.24 H new ATOM 0 HB2 ALA A 27 72.463 -33.293 6.379 1.00 13.24 H new ATOM 0 HB3 ALA A 27 71.680 -32.830 7.909 1.00 13.24 H new ATOM 391 N THR A 28 74.724 -32.257 9.560 1.00 4.00 N ATOM 392 CA THR A 28 75.109 -31.629 10.818 1.00 44.44 C ATOM 393 C THR A 28 74.950 -30.114 10.747 1.00 44.34 C ATOM 394 O THR A 28 75.889 -29.398 10.394 1.00 31.25 O ATOM 395 CB THR A 28 76.566 -31.963 11.190 1.00 22.51 C ATOM 396 OG1 THR A 28 76.665 -33.334 11.593 1.00 30.34 O ATOM 397 CG2 THR A 28 77.058 -31.062 12.313 1.00 73.21 C ATOM 0 H THR A 28 75.159 -31.847 8.734 1.00 4.00 H new ATOM 0 HA THR A 28 74.445 -32.027 11.586 1.00 44.44 H new ATOM 0 HB THR A 28 77.190 -31.796 10.312 1.00 22.51 H new ATOM 0 HG1 THR A 28 77.594 -33.540 11.826 1.00 30.34 H new ATOM 0 HG21 THR A 28 78.089 -31.317 12.558 1.00 73.21 H new ATOM 0 HG22 THR A 28 77.007 -30.021 11.993 1.00 73.21 H new ATOM 0 HG23 THR A 28 76.430 -31.202 13.193 1.00 73.21 H new ATOM 405 N ILE A 29 73.760 -29.632 11.083 1.00 75.51 N ATOM 406 CA ILE A 29 73.479 -28.202 11.060 1.00 72.14 C ATOM 407 C ILE A 29 74.612 -27.409 11.702 1.00 20.45 C ATOM 408 O ILE A 29 75.046 -27.716 12.813 1.00 1.14 O ATOM 409 CB ILE A 29 72.161 -27.875 11.786 1.00 55.23 C ATOM 410 CG1 ILE A 29 71.951 -28.829 12.962 1.00 72.43 C ATOM 411 CG2 ILE A 29 70.990 -27.951 10.817 1.00 35.44 C ATOM 412 CD1 ILE A 29 70.768 -28.465 13.832 1.00 75.34 C ATOM 0 H ILE A 29 72.973 -30.211 11.375 1.00 75.51 H new ATOM 0 HA ILE A 29 73.387 -27.915 10.012 1.00 72.14 H new ATOM 0 HB ILE A 29 72.219 -26.858 12.175 1.00 55.23 H new ATOM 0 HG12 ILE A 29 71.812 -29.840 12.579 1.00 72.43 H new ATOM 0 HG13 ILE A 29 72.852 -28.841 13.575 1.00 72.43 H new ATOM 0 HG21 ILE A 29 70.065 -27.717 11.345 1.00 35.44 H new ATOM 0 HG22 ILE A 29 71.138 -27.234 10.010 1.00 35.44 H new ATOM 0 HG23 ILE A 29 70.926 -28.957 10.401 1.00 35.44 H new ATOM 0 HD11 ILE A 29 70.680 -29.185 14.646 1.00 75.34 H new ATOM 0 HD12 ILE A 29 70.913 -27.467 14.245 1.00 75.34 H new ATOM 0 HD13 ILE A 29 69.857 -28.481 13.233 1.00 75.34 H new ATOM 424 N THR A 30 75.086 -26.387 10.998 1.00 22.23 N ATOM 425 CA THR A 30 76.167 -25.549 11.500 1.00 40.32 C ATOM 426 C THR A 30 76.095 -24.145 10.910 1.00 61.14 C ATOM 427 O THR A 30 76.543 -23.910 9.787 1.00 13.33 O ATOM 428 CB THR A 30 77.545 -26.158 11.178 1.00 22.54 C ATOM 429 OG1 THR A 30 77.542 -27.560 11.471 1.00 34.20 O ATOM 430 CG2 THR A 30 78.641 -25.471 11.981 1.00 74.05 C ATOM 0 H THR A 30 74.738 -26.119 10.077 1.00 22.23 H new ATOM 0 HA THR A 30 76.046 -25.492 12.582 1.00 40.32 H new ATOM 0 HB THR A 30 77.744 -26.009 10.117 1.00 22.54 H new ATOM 0 HG1 THR A 30 76.921 -28.019 10.867 1.00 34.20 H new ATOM 0 HG21 THR A 30 79.605 -25.918 11.737 1.00 74.05 H new ATOM 0 HG22 THR A 30 78.661 -24.409 11.736 1.00 74.05 H new ATOM 0 HG23 THR A 30 78.443 -25.594 13.046 1.00 74.05 H new ATOM 438 N SER A 31 75.529 -23.216 11.672 1.00 23.33 N ATOM 439 CA SER A 31 75.396 -21.835 11.222 1.00 35.33 C ATOM 440 C SER A 31 75.717 -20.863 12.353 1.00 13.45 C ATOM 441 O SER A 31 74.829 -20.199 12.887 1.00 52.54 O ATOM 442 CB SER A 31 73.980 -21.580 10.703 1.00 71.44 C ATOM 443 OG SER A 31 73.898 -20.334 10.032 1.00 62.44 O ATOM 0 H SER A 31 75.155 -23.394 12.604 1.00 23.33 H new ATOM 0 HA SER A 31 76.107 -21.672 10.412 1.00 35.33 H new ATOM 0 HB2 SER A 31 73.688 -22.382 10.024 1.00 71.44 H new ATOM 0 HB3 SER A 31 73.276 -21.595 11.535 1.00 71.44 H new ATOM 0 HG SER A 31 72.984 -20.197 9.707 1.00 62.44 H new ATOM 449 N GLY A 32 76.994 -20.784 12.713 1.00 34.14 N ATOM 450 CA GLY A 32 77.411 -19.890 13.778 1.00 62.33 C ATOM 451 C GLY A 32 78.908 -19.926 14.013 1.00 74.23 C ATOM 452 O GLY A 32 79.601 -20.802 13.496 1.00 65.01 O ATOM 0 H GLY A 32 77.748 -21.323 12.286 1.00 34.14 H new ATOM 0 HA2 GLY A 32 77.109 -18.872 13.532 1.00 62.33 H new ATOM 0 HA3 GLY A 32 76.895 -20.162 14.699 1.00 62.33 H new ATOM 456 N GLU A 33 79.407 -18.973 14.792 1.00 13.24 N ATOM 457 CA GLU A 33 80.833 -18.898 15.091 1.00 14.02 C ATOM 458 C GLU A 33 81.364 -20.254 15.547 1.00 32.22 C ATOM 459 O GLU A 33 82.558 -20.531 15.440 1.00 53.33 O ATOM 460 CB GLU A 33 81.095 -17.845 16.169 1.00 23.32 C ATOM 461 CG GLU A 33 80.458 -18.174 17.509 1.00 5.11 C ATOM 462 CD GLU A 33 80.832 -17.180 18.592 1.00 34.42 C ATOM 463 OE1 GLU A 33 82.041 -17.018 18.857 1.00 53.42 O ATOM 464 OE2 GLU A 33 79.914 -16.565 19.175 1.00 22.31 O ATOM 0 H GLU A 33 78.846 -18.241 15.228 1.00 13.24 H new ATOM 0 HA GLU A 33 81.356 -18.611 14.179 1.00 14.02 H new ATOM 0 HB2 GLU A 33 82.171 -17.736 16.305 1.00 23.32 H new ATOM 0 HB3 GLU A 33 80.718 -16.882 15.824 1.00 23.32 H new ATOM 0 HG2 GLU A 33 79.374 -18.193 17.397 1.00 5.11 H new ATOM 0 HG3 GLU A 33 80.764 -19.174 17.817 1.00 5.11 H new ATOM 471 N GLN A 34 80.468 -21.093 16.057 1.00 52.13 N ATOM 472 CA GLN A 34 80.847 -22.419 16.531 1.00 51.51 C ATOM 473 C GLN A 34 79.617 -23.222 16.943 1.00 14.42 C ATOM 474 O GLN A 34 79.141 -23.109 18.073 1.00 31.41 O ATOM 475 CB GLN A 34 81.815 -22.305 17.709 1.00 3.13 C ATOM 476 CG GLN A 34 82.230 -23.648 18.287 1.00 25.23 C ATOM 477 CD GLN A 34 83.662 -23.651 18.788 1.00 15.13 C ATOM 478 OE1 GLN A 34 83.910 -23.723 19.991 1.00 30.04 O ATOM 479 NE2 GLN A 34 84.612 -23.573 17.864 1.00 1.32 N ATOM 0 H GLN A 34 79.475 -20.878 16.153 1.00 52.13 H new ATOM 0 HA GLN A 34 81.342 -22.942 15.713 1.00 51.51 H new ATOM 0 HB2 GLN A 34 82.706 -21.767 17.386 1.00 3.13 H new ATOM 0 HB3 GLN A 34 81.350 -21.709 18.494 1.00 3.13 H new ATOM 0 HG2 GLN A 34 81.561 -23.908 19.108 1.00 25.23 H new ATOM 0 HG3 GLN A 34 82.114 -24.419 17.525 1.00 25.23 H new ATOM 0 HE21 GLN A 34 84.360 -23.515 16.877 1.00 1.32 H new ATOM 0 HE22 GLN A 34 85.594 -23.571 18.141 1.00 1.32 H new ATOM 488 N SER A 35 79.108 -24.031 16.020 1.00 2.14 N ATOM 489 CA SER A 35 77.931 -24.850 16.287 1.00 13.52 C ATOM 490 C SER A 35 78.028 -26.192 15.569 1.00 1.24 C ATOM 491 O SER A 35 78.859 -26.374 14.681 1.00 70.14 O ATOM 492 CB SER A 35 76.662 -24.115 15.848 1.00 2.01 C ATOM 493 OG SER A 35 76.197 -23.247 16.868 1.00 62.14 O ATOM 0 H SER A 35 79.492 -24.137 15.081 1.00 2.14 H new ATOM 0 HA SER A 35 77.884 -25.035 17.360 1.00 13.52 H new ATOM 0 HB2 SER A 35 76.864 -23.542 14.943 1.00 2.01 H new ATOM 0 HB3 SER A 35 75.886 -24.839 15.600 1.00 2.01 H new ATOM 0 HG SER A 35 76.945 -22.993 17.448 1.00 62.14 H new ATOM 499 N GLY A 36 77.173 -27.131 15.962 1.00 13.52 N ATOM 500 CA GLY A 36 77.178 -28.445 15.347 1.00 30.12 C ATOM 501 C GLY A 36 76.156 -29.378 15.964 1.00 34.31 C ATOM 502 O GLY A 36 76.463 -30.113 16.902 1.00 63.42 O ATOM 0 H GLY A 36 76.476 -27.005 16.696 1.00 13.52 H new ATOM 0 HA2 GLY A 36 76.976 -28.344 14.281 1.00 30.12 H new ATOM 0 HA3 GLY A 36 78.171 -28.884 15.443 1.00 30.12 H new ATOM 506 N ALA A 37 74.936 -29.349 15.439 1.00 10.54 N ATOM 507 CA ALA A 37 73.865 -30.198 15.944 1.00 30.23 C ATOM 508 C ALA A 37 73.514 -31.293 14.942 1.00 44.03 C ATOM 509 O ALA A 37 74.192 -31.462 13.928 1.00 2.33 O ATOM 510 CB ALA A 37 72.636 -29.362 16.267 1.00 35.24 C ATOM 0 H ALA A 37 74.665 -28.746 14.663 1.00 10.54 H new ATOM 0 HA ALA A 37 74.215 -30.677 16.858 1.00 30.23 H new ATOM 0 HB1 ALA A 37 71.844 -30.010 16.643 1.00 35.24 H new ATOM 0 HB2 ALA A 37 72.889 -28.621 17.025 1.00 35.24 H new ATOM 0 HB3 ALA A 37 72.293 -28.856 15.365 1.00 35.24 H new ATOM 516 N VAL A 38 72.451 -32.036 15.232 1.00 14.52 N ATOM 517 CA VAL A 38 72.009 -33.115 14.356 1.00 31.02 C ATOM 518 C VAL A 38 70.875 -32.655 13.447 1.00 2.23 C ATOM 519 O VAL A 38 69.828 -32.213 13.919 1.00 12.12 O ATOM 520 CB VAL A 38 71.540 -34.338 15.165 1.00 32.34 C ATOM 521 CG1 VAL A 38 71.085 -35.452 14.235 1.00 45.42 C ATOM 522 CG2 VAL A 38 72.647 -34.822 16.089 1.00 62.40 C ATOM 0 H VAL A 38 71.879 -31.911 16.067 1.00 14.52 H new ATOM 0 HA VAL A 38 72.867 -33.399 13.746 1.00 31.02 H new ATOM 0 HB VAL A 38 70.690 -34.041 15.779 1.00 32.34 H new ATOM 0 HG11 VAL A 38 70.757 -36.308 14.825 1.00 45.42 H new ATOM 0 HG12 VAL A 38 70.258 -35.097 13.620 1.00 45.42 H new ATOM 0 HG13 VAL A 38 71.913 -35.750 13.592 1.00 45.42 H new ATOM 0 HG21 VAL A 38 72.298 -35.687 16.653 1.00 62.40 H new ATOM 0 HG22 VAL A 38 73.518 -35.102 15.497 1.00 62.40 H new ATOM 0 HG23 VAL A 38 72.919 -34.024 16.780 1.00 62.40 H new ATOM 532 N ILE A 39 71.092 -32.763 12.140 1.00 1.34 N ATOM 533 CA ILE A 39 70.087 -32.360 11.165 1.00 40.25 C ATOM 534 C ILE A 39 69.986 -33.372 10.028 1.00 3.43 C ATOM 535 O ILE A 39 70.967 -34.032 9.683 1.00 32.21 O ATOM 536 CB ILE A 39 70.401 -30.972 10.574 1.00 74.32 C ATOM 537 CG1 ILE A 39 69.231 -30.482 9.719 1.00 52.23 C ATOM 538 CG2 ILE A 39 71.679 -31.022 9.752 1.00 25.33 C ATOM 539 CD1 ILE A 39 69.452 -30.658 8.233 1.00 20.44 C ATOM 0 H ILE A 39 71.954 -33.126 11.733 1.00 1.34 H new ATOM 0 HA ILE A 39 69.135 -32.315 11.694 1.00 40.25 H new ATOM 0 HB ILE A 39 70.548 -30.269 11.394 1.00 74.32 H new ATOM 0 HG12 ILE A 39 68.329 -31.020 10.010 1.00 52.23 H new ATOM 0 HG13 ILE A 39 69.055 -29.427 9.929 1.00 52.23 H new ATOM 0 HG21 ILE A 39 71.887 -30.034 9.342 1.00 25.33 H new ATOM 0 HG22 ILE A 39 72.508 -31.333 10.387 1.00 25.33 H new ATOM 0 HG23 ILE A 39 71.560 -31.736 8.937 1.00 25.33 H new ATOM 0 HD11 ILE A 39 68.582 -30.289 7.690 1.00 20.44 H new ATOM 0 HD12 ILE A 39 70.335 -30.097 7.928 1.00 20.44 H new ATOM 0 HD13 ILE A 39 69.598 -31.715 8.010 1.00 20.44 H new ATOM 551 N ARG A 40 68.796 -33.489 9.450 1.00 54.41 N ATOM 552 CA ARG A 40 68.567 -34.420 8.352 1.00 42.41 C ATOM 553 C ARG A 40 68.356 -33.671 7.039 1.00 32.34 C ATOM 554 O ARG A 40 67.224 -33.482 6.596 1.00 72.31 O ATOM 555 CB ARG A 40 67.354 -35.303 8.649 1.00 51.12 C ATOM 556 CG ARG A 40 67.433 -36.680 8.009 1.00 72.32 C ATOM 557 CD ARG A 40 66.061 -37.169 7.570 1.00 73.00 C ATOM 558 NE ARG A 40 65.016 -36.795 8.520 1.00 4.30 N ATOM 559 CZ ARG A 40 63.729 -36.717 8.204 1.00 44.35 C ATOM 560 NH1 ARG A 40 63.329 -36.987 6.969 1.00 15.34 N ATOM 561 NH2 ARG A 40 62.839 -36.370 9.124 1.00 13.31 N ATOM 0 H ARG A 40 67.974 -32.950 9.724 1.00 54.41 H new ATOM 0 HA ARG A 40 69.451 -35.050 8.252 1.00 42.41 H new ATOM 0 HB2 ARG A 40 67.254 -35.418 9.728 1.00 51.12 H new ATOM 0 HB3 ARG A 40 66.453 -34.799 8.298 1.00 51.12 H new ATOM 0 HG2 ARG A 40 68.101 -36.645 7.148 1.00 72.32 H new ATOM 0 HG3 ARG A 40 67.863 -37.388 8.717 1.00 72.32 H new ATOM 0 HD2 ARG A 40 65.825 -36.754 6.590 1.00 73.00 H new ATOM 0 HD3 ARG A 40 66.081 -38.253 7.461 1.00 73.00 H new ATOM 0 HE ARG A 40 65.290 -36.582 9.479 1.00 4.30 H new ATOM 0 HH11 ARG A 40 64.011 -37.255 6.259 1.00 15.34 H new ATOM 0 HH12 ARG A 40 62.340 -36.926 6.729 1.00 15.34 H new ATOM 0 HH21 ARG A 40 63.143 -36.163 10.075 1.00 13.31 H new ATOM 0 HH22 ARG A 40 61.850 -36.310 8.880 1.00 13.31 H new ATOM 575 N GLY A 41 69.454 -33.247 6.422 1.00 65.05 N ATOM 576 CA GLY A 41 69.368 -32.523 5.167 1.00 63.52 C ATOM 577 C GLY A 41 70.272 -33.106 4.099 1.00 0.21 C ATOM 578 O GLY A 41 71.347 -33.626 4.401 1.00 74.14 O ATOM 0 H GLY A 41 70.402 -33.392 6.769 1.00 65.05 H new ATOM 0 HA2 GLY A 41 68.337 -32.536 4.813 1.00 63.52 H new ATOM 0 HA3 GLY A 41 69.634 -31.479 5.334 1.00 63.52 H new ATOM 582 N VAL A 42 69.837 -33.018 2.845 1.00 64.51 N ATOM 583 CA VAL A 42 70.615 -33.542 1.728 1.00 2.13 C ATOM 584 C VAL A 42 70.828 -32.475 0.660 1.00 72.42 C ATOM 585 O VAL A 42 69.905 -31.739 0.310 1.00 12.44 O ATOM 586 CB VAL A 42 69.930 -34.764 1.090 1.00 74.12 C ATOM 587 CG1 VAL A 42 68.828 -34.321 0.139 1.00 70.33 C ATOM 588 CG2 VAL A 42 70.950 -35.632 0.369 1.00 2.25 C ATOM 0 H VAL A 42 68.951 -32.589 2.578 1.00 64.51 H new ATOM 0 HA VAL A 42 71.581 -33.847 2.130 1.00 2.13 H new ATOM 0 HB VAL A 42 69.477 -35.360 1.883 1.00 74.12 H new ATOM 0 HG11 VAL A 42 68.355 -35.198 -0.303 1.00 70.33 H new ATOM 0 HG12 VAL A 42 68.083 -33.745 0.688 1.00 70.33 H new ATOM 0 HG13 VAL A 42 69.255 -33.703 -0.650 1.00 70.33 H new ATOM 0 HG21 VAL A 42 70.447 -36.491 -0.076 1.00 2.25 H new ATOM 0 HG22 VAL A 42 71.435 -35.049 -0.415 1.00 2.25 H new ATOM 0 HG23 VAL A 42 71.700 -35.979 1.080 1.00 2.25 H new ATOM 598 N PHE A 43 72.049 -32.397 0.144 1.00 60.05 N ATOM 599 CA PHE A 43 72.384 -31.420 -0.886 1.00 72.55 C ATOM 600 C PHE A 43 72.230 -32.024 -2.279 1.00 73.12 C ATOM 601 O PHE A 43 72.732 -33.113 -2.555 1.00 25.13 O ATOM 602 CB PHE A 43 73.815 -30.914 -0.692 1.00 53.24 C ATOM 603 CG PHE A 43 74.828 -31.647 -1.525 1.00 12.15 C ATOM 604 CD1 PHE A 43 75.296 -32.891 -1.132 1.00 51.32 C ATOM 605 CD2 PHE A 43 75.311 -31.093 -2.699 1.00 41.34 C ATOM 606 CE1 PHE A 43 76.229 -33.567 -1.896 1.00 5.21 C ATOM 607 CE2 PHE A 43 76.244 -31.765 -3.466 1.00 51.14 C ATOM 608 CZ PHE A 43 76.703 -33.004 -3.065 1.00 12.31 C ATOM 0 H PHE A 43 72.824 -32.999 0.422 1.00 60.05 H new ATOM 0 HA PHE A 43 71.694 -30.581 -0.795 1.00 72.55 H new ATOM 0 HB2 PHE A 43 73.853 -29.853 -0.938 1.00 53.24 H new ATOM 0 HB3 PHE A 43 74.085 -31.007 0.360 1.00 53.24 H new ATOM 0 HD1 PHE A 43 74.928 -33.337 -0.220 1.00 51.32 H new ATOM 0 HD2 PHE A 43 74.955 -30.125 -3.019 1.00 41.34 H new ATOM 0 HE1 PHE A 43 76.587 -34.535 -1.579 1.00 5.21 H new ATOM 0 HE2 PHE A 43 76.614 -31.321 -4.379 1.00 51.14 H new ATOM 0 HZ PHE A 43 77.431 -33.532 -3.664 1.00 12.31 H new ATOM 618 N ASP A 44 71.531 -31.308 -3.153 1.00 61.12 N ATOM 619 CA ASP A 44 71.310 -31.771 -4.519 1.00 21.11 C ATOM 620 C ASP A 44 71.951 -30.821 -5.525 1.00 41.31 C ATOM 621 O ASP A 44 71.674 -29.621 -5.525 1.00 4.22 O ATOM 622 CB ASP A 44 69.812 -31.898 -4.801 1.00 25.24 C ATOM 623 CG ASP A 44 69.527 -32.638 -6.093 1.00 43.22 C ATOM 624 OD1 ASP A 44 69.662 -32.021 -7.171 1.00 31.11 O ATOM 625 OD2 ASP A 44 69.170 -33.833 -6.027 1.00 13.40 O ATOM 0 H ASP A 44 71.108 -30.405 -2.940 1.00 61.12 H new ATOM 0 HA ASP A 44 71.776 -32.751 -4.624 1.00 21.11 H new ATOM 0 HB2 ASP A 44 69.332 -32.420 -3.973 1.00 25.24 H new ATOM 0 HB3 ASP A 44 69.369 -30.903 -4.850 1.00 25.24 H new ATOM 630 N ASP A 45 72.809 -31.365 -6.381 1.00 72.22 N ATOM 631 CA ASP A 45 73.490 -30.566 -7.393 1.00 52.13 C ATOM 632 C ASP A 45 73.205 -31.103 -8.792 1.00 63.54 C ATOM 633 O ASP A 45 72.988 -32.299 -8.992 1.00 73.02 O ATOM 634 CB ASP A 45 74.997 -30.553 -7.136 1.00 0.34 C ATOM 635 CG ASP A 45 75.546 -29.148 -6.978 1.00 71.25 C ATOM 636 OD1 ASP A 45 74.803 -28.273 -6.488 1.00 73.33 O ATOM 637 OD2 ASP A 45 76.718 -28.924 -7.346 1.00 12.23 O ATOM 0 H ASP A 45 73.049 -32.356 -6.394 1.00 72.22 H new ATOM 0 HA ASP A 45 73.110 -29.546 -7.330 1.00 52.13 H new ATOM 0 HB2 ASP A 45 75.214 -31.128 -6.236 1.00 0.34 H new ATOM 0 HB3 ASP A 45 75.508 -31.049 -7.962 1.00 0.34 H new ATOM 877 N PRO A 63 73.245 -25.920 -4.292 1.00 52.40 N ATOM 878 CA PRO A 63 72.466 -27.160 -4.369 1.00 44.52 C ATOM 879 C PRO A 63 71.129 -27.049 -3.647 1.00 34.34 C ATOM 880 O PRO A 63 70.786 -25.994 -3.112 1.00 55.25 O ATOM 881 CB PRO A 63 73.365 -28.187 -3.676 1.00 40.12 C ATOM 882 CG PRO A 63 74.216 -27.385 -2.754 1.00 30.12 C ATOM 883 CD PRO A 63 74.434 -26.062 -3.435 1.00 42.03 C ATOM 0 HA PRO A 63 72.213 -27.420 -5.397 1.00 44.52 H new ATOM 0 HB2 PRO A 63 72.776 -28.924 -3.130 1.00 40.12 H new ATOM 0 HB3 PRO A 63 73.971 -28.734 -4.398 1.00 40.12 H new ATOM 0 HG2 PRO A 63 73.727 -27.251 -1.789 1.00 30.12 H new ATOM 0 HG3 PRO A 63 75.165 -27.887 -2.563 1.00 30.12 H new ATOM 0 HD2 PRO A 63 74.510 -25.247 -2.715 1.00 42.03 H new ATOM 0 HD3 PRO A 63 75.354 -26.058 -4.020 1.00 42.03 H new ATOM 891 N SER A 64 70.376 -28.145 -3.633 1.00 25.00 N ATOM 892 CA SER A 64 69.074 -28.170 -2.977 1.00 54.12 C ATOM 893 C SER A 64 69.137 -28.957 -1.671 1.00 54.24 C ATOM 894 O SER A 64 69.905 -29.911 -1.545 1.00 40.20 O ATOM 895 CB SER A 64 68.023 -28.784 -3.906 1.00 4.21 C ATOM 896 OG SER A 64 66.730 -28.281 -3.616 1.00 62.24 O ATOM 0 H SER A 64 70.646 -29.027 -4.069 1.00 25.00 H new ATOM 0 HA SER A 64 68.791 -27.143 -2.748 1.00 54.12 H new ATOM 0 HB2 SER A 64 68.278 -28.565 -4.943 1.00 4.21 H new ATOM 0 HB3 SER A 64 68.027 -29.869 -3.799 1.00 4.21 H new ATOM 0 HG SER A 64 66.077 -28.687 -4.224 1.00 62.24 H new ATOM 902 N LEU A 65 68.323 -28.550 -0.703 1.00 63.01 N ATOM 903 CA LEU A 65 68.285 -29.216 0.594 1.00 43.11 C ATOM 904 C LEU A 65 66.951 -29.924 0.803 1.00 4.13 C ATOM 905 O LEU A 65 65.896 -29.404 0.438 1.00 23.33 O ATOM 906 CB LEU A 65 68.520 -28.203 1.717 1.00 52.53 C ATOM 907 CG LEU A 65 67.460 -28.164 2.817 1.00 31.23 C ATOM 908 CD1 LEU A 65 68.039 -27.578 4.095 1.00 3.04 C ATOM 909 CD2 LEU A 65 66.248 -27.363 2.362 1.00 1.22 C ATOM 0 H LEU A 65 67.681 -27.762 -0.792 1.00 63.01 H new ATOM 0 HA LEU A 65 69.079 -29.963 0.615 1.00 43.11 H new ATOM 0 HB2 LEU A 65 69.485 -28.418 2.177 1.00 52.53 H new ATOM 0 HB3 LEU A 65 68.592 -27.210 1.274 1.00 52.53 H new ATOM 0 HG LEU A 65 67.139 -29.185 3.022 1.00 31.23 H new ATOM 0 HD11 LEU A 65 67.270 -27.558 4.867 1.00 3.04 H new ATOM 0 HD12 LEU A 65 68.875 -28.192 4.431 1.00 3.04 H new ATOM 0 HD13 LEU A 65 68.388 -26.563 3.904 1.00 3.04 H new ATOM 0 HD21 LEU A 65 65.503 -27.346 3.158 1.00 1.22 H new ATOM 0 HD22 LEU A 65 66.553 -26.343 2.128 1.00 1.22 H new ATOM 0 HD23 LEU A 65 65.819 -27.826 1.473 1.00 1.22 H new ATOM 921 N PHE A 66 67.005 -31.113 1.396 1.00 41.43 N ATOM 922 CA PHE A 66 65.800 -31.892 1.656 1.00 70.55 C ATOM 923 C PHE A 66 65.612 -32.120 3.152 1.00 60.01 C ATOM 924 O PHE A 66 66.342 -32.895 3.770 1.00 22.44 O ATOM 925 CB PHE A 66 65.871 -33.237 0.928 1.00 3.11 C ATOM 926 CG PHE A 66 64.543 -33.930 0.820 1.00 64.22 C ATOM 927 CD1 PHE A 66 64.012 -34.611 1.903 1.00 35.23 C ATOM 928 CD2 PHE A 66 63.826 -33.902 -0.365 1.00 45.21 C ATOM 929 CE1 PHE A 66 62.789 -35.250 1.807 1.00 64.41 C ATOM 930 CE2 PHE A 66 62.603 -34.538 -0.468 1.00 4.14 C ATOM 931 CZ PHE A 66 62.085 -35.215 0.619 1.00 4.44 C ATOM 0 H PHE A 66 67.870 -31.557 1.705 1.00 41.43 H new ATOM 0 HA PHE A 66 64.945 -31.329 1.283 1.00 70.55 H new ATOM 0 HB2 PHE A 66 66.272 -33.079 -0.073 1.00 3.11 H new ATOM 0 HB3 PHE A 66 66.570 -33.888 1.452 1.00 3.11 H new ATOM 0 HD1 PHE A 66 64.559 -34.643 2.833 1.00 35.23 H new ATOM 0 HD2 PHE A 66 64.228 -33.377 -1.219 1.00 45.21 H new ATOM 0 HE1 PHE A 66 62.385 -35.776 2.660 1.00 64.41 H new ATOM 0 HE2 PHE A 66 62.053 -34.506 -1.397 1.00 4.14 H new ATOM 0 HZ PHE A 66 61.131 -35.716 0.540 1.00 4.44 H new ATOM 941 N VAL A 67 64.627 -31.439 3.730 1.00 44.13 N ATOM 942 CA VAL A 67 64.343 -31.566 5.154 1.00 75.54 C ATOM 943 C VAL A 67 62.841 -31.537 5.418 1.00 71.34 C ATOM 944 O VAL A 67 62.053 -31.182 4.542 1.00 53.22 O ATOM 945 CB VAL A 67 65.017 -30.443 5.964 1.00 24.03 C ATOM 946 CG1 VAL A 67 66.508 -30.708 6.105 1.00 62.43 C ATOM 947 CG2 VAL A 67 64.766 -29.092 5.312 1.00 21.31 C ATOM 0 H VAL A 67 64.013 -30.794 3.233 1.00 44.13 H new ATOM 0 HA VAL A 67 64.748 -32.526 5.473 1.00 75.54 H new ATOM 0 HB VAL A 67 64.580 -30.425 6.962 1.00 24.03 H new ATOM 0 HG11 VAL A 67 66.968 -29.904 6.680 1.00 62.43 H new ATOM 0 HG12 VAL A 67 66.662 -31.656 6.620 1.00 62.43 H new ATOM 0 HG13 VAL A 67 66.965 -30.754 5.116 1.00 62.43 H new ATOM 0 HG21 VAL A 67 65.249 -28.310 5.898 1.00 21.31 H new ATOM 0 HG22 VAL A 67 65.175 -29.094 4.302 1.00 21.31 H new ATOM 0 HG23 VAL A 67 63.693 -28.902 5.269 1.00 21.31 H new ATOM 957 N ARG A 68 62.452 -31.914 6.632 1.00 44.52 N ATOM 958 CA ARG A 68 61.045 -31.931 7.012 1.00 72.15 C ATOM 959 C ARG A 68 60.704 -30.733 7.891 1.00 0.52 C ATOM 960 O ARG A 68 61.515 -30.297 8.708 1.00 2.45 O ATOM 961 CB ARG A 68 60.710 -33.229 7.749 1.00 61.30 C ATOM 962 CG ARG A 68 59.890 -33.019 9.011 1.00 14.20 C ATOM 963 CD ARG A 68 59.545 -34.341 9.679 1.00 71.15 C ATOM 964 NE ARG A 68 58.678 -35.167 8.843 1.00 40.44 N ATOM 965 CZ ARG A 68 57.983 -36.202 9.301 1.00 21.12 C ATOM 966 NH1 ARG A 68 58.054 -36.536 10.582 1.00 70.31 N ATOM 967 NH2 ARG A 68 57.216 -36.905 8.478 1.00 41.42 N ATOM 0 H ARG A 68 63.092 -32.212 7.369 1.00 44.52 H new ATOM 0 HA ARG A 68 60.448 -31.873 6.102 1.00 72.15 H new ATOM 0 HB2 ARG A 68 60.162 -33.888 7.076 1.00 61.30 H new ATOM 0 HB3 ARG A 68 61.638 -33.739 8.009 1.00 61.30 H new ATOM 0 HG2 ARG A 68 60.447 -32.393 9.708 1.00 14.20 H new ATOM 0 HG3 ARG A 68 58.973 -32.484 8.765 1.00 14.20 H new ATOM 0 HD2 ARG A 68 60.463 -34.886 9.899 1.00 71.15 H new ATOM 0 HD3 ARG A 68 59.053 -34.148 10.632 1.00 71.15 H new ATOM 0 HE ARG A 68 58.602 -34.936 7.852 1.00 40.44 H new ATOM 0 HH11 ARG A 68 58.643 -35.998 11.217 1.00 70.31 H new ATOM 0 HH12 ARG A 68 57.520 -37.331 10.932 1.00 70.31 H new ATOM 0 HH21 ARG A 68 57.159 -36.651 7.492 1.00 41.42 H new ATOM 0 HH22 ARG A 68 56.683 -37.700 8.831 1.00 41.42 H new ATOM 981 N THR A 69 59.497 -30.201 7.718 1.00 65.22 N ATOM 982 CA THR A 69 59.049 -29.052 8.494 1.00 63.45 C ATOM 983 C THR A 69 59.489 -29.166 9.949 1.00 73.00 C ATOM 984 O THR A 69 60.014 -28.213 10.524 1.00 5.31 O ATOM 985 CB THR A 69 57.516 -28.903 8.443 1.00 44.21 C ATOM 986 OG1 THR A 69 57.088 -27.921 9.393 1.00 10.32 O ATOM 987 CG2 THR A 69 56.834 -30.230 8.735 1.00 13.02 C ATOM 0 H THR A 69 58.812 -30.549 7.046 1.00 65.22 H new ATOM 0 HA THR A 69 59.508 -28.170 8.047 1.00 63.45 H new ATOM 0 HB THR A 69 57.237 -28.583 7.439 1.00 44.21 H new ATOM 0 HG1 THR A 69 56.113 -27.831 9.354 1.00 10.32 H new ATOM 0 HG21 THR A 69 55.753 -30.100 8.693 1.00 13.02 H new ATOM 0 HG22 THR A 69 57.140 -30.967 7.993 1.00 13.02 H new ATOM 0 HG23 THR A 69 57.120 -30.575 9.729 1.00 13.02 H new ATOM 995 N ASP A 70 59.271 -30.336 10.538 1.00 72.40 N ATOM 996 CA ASP A 70 59.647 -30.575 11.927 1.00 45.41 C ATOM 997 C ASP A 70 61.113 -30.224 12.161 1.00 10.15 C ATOM 998 O ASP A 70 61.430 -29.335 12.951 1.00 13.13 O ATOM 999 CB ASP A 70 59.393 -32.036 12.303 1.00 51.12 C ATOM 1000 CG ASP A 70 57.932 -32.421 12.175 1.00 42.44 C ATOM 1001 OD1 ASP A 70 57.108 -31.530 11.884 1.00 55.23 O ATOM 1002 OD2 ASP A 70 57.614 -33.613 12.366 1.00 65.21 O ATOM 0 H ASP A 70 58.836 -31.134 10.076 1.00 72.40 H new ATOM 0 HA ASP A 70 59.033 -29.934 12.559 1.00 45.41 H new ATOM 0 HB2 ASP A 70 59.994 -32.683 11.663 1.00 51.12 H new ATOM 0 HB3 ASP A 70 59.722 -32.207 13.328 1.00 51.12 H new ATOM 1007 N GLU A 71 62.003 -30.928 11.470 1.00 64.44 N ATOM 1008 CA GLU A 71 63.435 -30.692 11.604 1.00 21.31 C ATOM 1009 C GLU A 71 63.768 -29.220 11.376 1.00 31.42 C ATOM 1010 O GLU A 71 64.601 -28.645 12.077 1.00 53.20 O ATOM 1011 CB GLU A 71 64.214 -31.561 10.614 1.00 1.32 C ATOM 1012 CG GLU A 71 64.452 -32.979 11.104 1.00 21.51 C ATOM 1013 CD GLU A 71 63.205 -33.609 11.696 1.00 3.31 C ATOM 1014 OE1 GLU A 71 62.968 -33.428 12.908 1.00 5.01 O ATOM 1015 OE2 GLU A 71 62.468 -34.282 10.947 1.00 21.21 O ATOM 0 H GLU A 71 61.757 -31.667 10.811 1.00 64.44 H new ATOM 0 HA GLU A 71 63.727 -30.960 12.619 1.00 21.31 H new ATOM 0 HB2 GLU A 71 63.670 -31.598 9.670 1.00 1.32 H new ATOM 0 HB3 GLU A 71 65.176 -31.090 10.409 1.00 1.32 H new ATOM 0 HG2 GLU A 71 64.805 -33.592 10.274 1.00 21.51 H new ATOM 0 HG3 GLU A 71 65.242 -32.972 11.854 1.00 21.51 H new ATOM 1022 N VAL A 72 63.110 -28.617 10.392 1.00 51.42 N ATOM 1023 CA VAL A 72 63.334 -27.212 10.071 1.00 61.23 C ATOM 1024 C VAL A 72 62.798 -26.305 11.172 1.00 32.03 C ATOM 1025 O VAL A 72 63.362 -25.246 11.448 1.00 15.41 O ATOM 1026 CB VAL A 72 62.670 -26.828 8.736 1.00 35.42 C ATOM 1027 CG1 VAL A 72 63.129 -25.449 8.288 1.00 70.52 C ATOM 1028 CG2 VAL A 72 62.971 -27.871 7.671 1.00 64.32 C ATOM 0 H VAL A 72 62.417 -29.079 9.803 1.00 51.42 H new ATOM 0 HA VAL A 72 64.412 -27.075 9.984 1.00 61.23 H new ATOM 0 HB VAL A 72 61.591 -26.795 8.884 1.00 35.42 H new ATOM 0 HG11 VAL A 72 62.649 -25.195 7.343 1.00 70.52 H new ATOM 0 HG12 VAL A 72 62.856 -24.712 9.043 1.00 70.52 H new ATOM 0 HG13 VAL A 72 64.211 -25.451 8.157 1.00 70.52 H new ATOM 0 HG21 VAL A 72 62.494 -27.583 6.734 1.00 64.32 H new ATOM 0 HG22 VAL A 72 64.049 -27.939 7.523 1.00 64.32 H new ATOM 0 HG23 VAL A 72 62.587 -28.839 7.991 1.00 64.32 H new ATOM 1038 N ARG A 73 61.705 -26.727 11.800 1.00 73.05 N ATOM 1039 CA ARG A 73 61.091 -25.952 12.872 1.00 21.30 C ATOM 1040 C ARG A 73 62.050 -25.798 14.048 1.00 25.24 C ATOM 1041 O ARG A 73 62.128 -24.734 14.662 1.00 23.21 O ATOM 1042 CB ARG A 73 59.798 -26.622 13.339 1.00 54.35 C ATOM 1043 CG ARG A 73 59.134 -25.916 14.509 1.00 42.21 C ATOM 1044 CD ARG A 73 57.850 -26.616 14.927 1.00 43.53 C ATOM 1045 NE ARG A 73 56.667 -25.978 14.353 1.00 4.01 N ATOM 1046 CZ ARG A 73 55.475 -26.560 14.294 1.00 65.05 C ATOM 1047 NH1 ARG A 73 55.307 -27.786 14.770 1.00 2.03 N ATOM 1048 NH2 ARG A 73 54.446 -25.915 13.757 1.00 24.11 N ATOM 0 H ARG A 73 61.226 -27.602 11.585 1.00 73.05 H new ATOM 0 HA ARG A 73 60.858 -24.961 12.483 1.00 21.30 H new ATOM 0 HB2 ARG A 73 59.098 -26.662 12.505 1.00 54.35 H new ATOM 0 HB3 ARG A 73 60.014 -27.652 13.623 1.00 54.35 H new ATOM 0 HG2 ARG A 73 59.823 -25.882 15.353 1.00 42.21 H new ATOM 0 HG3 ARG A 73 58.914 -24.884 14.235 1.00 42.21 H new ATOM 0 HD2 ARG A 73 57.887 -27.659 14.614 1.00 43.53 H new ATOM 0 HD3 ARG A 73 57.772 -26.612 16.014 1.00 43.53 H new ATOM 0 HE ARG A 73 56.762 -25.034 13.977 1.00 4.01 H new ATOM 0 HH11 ARG A 73 56.095 -28.285 15.183 1.00 2.03 H new ATOM 0 HH12 ARG A 73 54.390 -28.230 14.723 1.00 2.03 H new ATOM 0 HH21 ARG A 73 54.571 -24.972 13.389 1.00 24.11 H new ATOM 0 HH22 ARG A 73 53.531 -26.363 13.712 1.00 24.11 H new ATOM 1062 N GLN A 74 62.776 -26.868 14.358 1.00 72.12 N ATOM 1063 CA GLN A 74 63.729 -26.852 15.462 1.00 35.12 C ATOM 1064 C GLN A 74 64.728 -25.711 15.301 1.00 42.12 C ATOM 1065 O GLN A 74 65.336 -25.263 16.274 1.00 2.43 O ATOM 1066 CB GLN A 74 64.469 -28.187 15.545 1.00 70.13 C ATOM 1067 CG GLN A 74 63.669 -29.284 16.230 1.00 25.31 C ATOM 1068 CD GLN A 74 64.284 -30.657 16.044 1.00 62.34 C ATOM 1069 OE1 GLN A 74 63.605 -31.606 15.648 1.00 34.22 O ATOM 1070 NE2 GLN A 74 65.576 -30.772 16.327 1.00 63.10 N ATOM 0 H GLN A 74 62.722 -27.757 13.860 1.00 72.12 H new ATOM 0 HA GLN A 74 63.173 -26.696 16.387 1.00 35.12 H new ATOM 0 HB2 GLN A 74 64.728 -28.513 14.538 1.00 70.13 H new ATOM 0 HB3 GLN A 74 65.405 -28.041 16.084 1.00 70.13 H new ATOM 0 HG2 GLN A 74 63.596 -29.064 17.295 1.00 25.31 H new ATOM 0 HG3 GLN A 74 62.653 -29.288 15.835 1.00 25.31 H new ATOM 0 HE21 GLN A 74 66.101 -29.960 16.652 1.00 63.10 H new ATOM 0 HE22 GLN A 74 66.044 -31.672 16.219 1.00 63.10 H new ATOM 1079 N LEU A 75 64.896 -25.247 14.067 1.00 32.45 N ATOM 1080 CA LEU A 75 65.823 -24.158 13.779 1.00 70.42 C ATOM 1081 C LEU A 75 65.073 -22.910 13.328 1.00 13.42 C ATOM 1082 O LEU A 75 63.849 -22.834 13.439 1.00 63.34 O ATOM 1083 CB LEU A 75 66.821 -24.586 12.700 1.00 1.45 C ATOM 1084 CG LEU A 75 67.642 -25.839 13.004 1.00 41.10 C ATOM 1085 CD1 LEU A 75 66.966 -27.073 12.427 1.00 14.42 C ATOM 1086 CD2 LEU A 75 69.055 -25.697 12.456 1.00 73.41 C ATOM 0 H LEU A 75 64.403 -25.608 13.250 1.00 32.45 H new ATOM 0 HA LEU A 75 66.365 -23.922 14.695 1.00 70.42 H new ATOM 0 HB2 LEU A 75 66.274 -24.751 11.772 1.00 1.45 H new ATOM 0 HB3 LEU A 75 67.509 -23.760 12.522 1.00 1.45 H new ATOM 0 HG LEU A 75 67.704 -25.956 14.086 1.00 41.10 H new ATOM 0 HD11 LEU A 75 67.565 -27.955 12.653 1.00 14.42 H new ATOM 0 HD12 LEU A 75 65.975 -27.184 12.867 1.00 14.42 H new ATOM 0 HD13 LEU A 75 66.873 -26.965 11.346 1.00 14.42 H new ATOM 0 HD21 LEU A 75 69.625 -26.598 12.682 1.00 73.41 H new ATOM 0 HD22 LEU A 75 69.014 -25.555 11.376 1.00 73.41 H new ATOM 0 HD23 LEU A 75 69.539 -24.836 12.917 1.00 73.41 H new ATOM 1098 N ARG A 76 65.815 -21.932 12.818 1.00 43.41 N ATOM 1099 CA ARG A 76 65.220 -20.686 12.349 1.00 2.21 C ATOM 1100 C ARG A 76 65.597 -20.417 10.895 1.00 41.30 C ATOM 1101 O ARG A 76 66.298 -21.211 10.267 1.00 23.54 O ATOM 1102 CB ARG A 76 65.671 -19.519 13.228 1.00 34.12 C ATOM 1103 CG ARG A 76 67.124 -19.125 13.021 1.00 3.21 C ATOM 1104 CD ARG A 76 67.467 -17.845 13.767 1.00 74.22 C ATOM 1105 NE ARG A 76 67.835 -18.102 15.157 1.00 51.44 N ATOM 1106 CZ ARG A 76 68.194 -17.149 16.009 1.00 22.44 C ATOM 1107 NH1 ARG A 76 68.233 -15.884 15.618 1.00 52.33 N ATOM 1108 NH2 ARG A 76 68.515 -17.463 17.259 1.00 13.11 N ATOM 0 H ARG A 76 66.829 -21.978 12.719 1.00 43.41 H new ATOM 0 HA ARG A 76 64.136 -20.783 12.413 1.00 2.21 H new ATOM 0 HB2 ARG A 76 65.037 -18.656 13.024 1.00 34.12 H new ATOM 0 HB3 ARG A 76 65.521 -19.785 14.274 1.00 34.12 H new ATOM 0 HG2 ARG A 76 67.773 -19.931 13.363 1.00 3.21 H new ATOM 0 HG3 ARG A 76 67.317 -18.990 11.957 1.00 3.21 H new ATOM 0 HD2 ARG A 76 68.291 -17.341 13.262 1.00 74.22 H new ATOM 0 HD3 ARG A 76 66.613 -17.169 13.738 1.00 74.22 H new ATOM 0 HE ARG A 76 67.815 -19.066 15.491 1.00 51.44 H new ATOM 0 HH11 ARG A 76 67.987 -15.639 14.659 1.00 52.33 H new ATOM 0 HH12 ARG A 76 68.509 -15.155 16.276 1.00 52.33 H new ATOM 0 HH21 ARG A 76 68.486 -18.436 17.564 1.00 13.11 H new ATOM 0 HH22 ARG A 76 68.791 -16.731 17.914 1.00 13.11 H new ATOM 1122 N ARG A 77 65.126 -19.292 10.366 1.00 45.32 N ATOM 1123 CA ARG A 77 65.413 -18.919 8.986 1.00 14.21 C ATOM 1124 C ARG A 77 66.880 -18.536 8.819 1.00 24.14 C ATOM 1125 O ARG A 77 67.415 -17.738 9.588 1.00 61.14 O ATOM 1126 CB ARG A 77 64.519 -17.755 8.554 1.00 52.00 C ATOM 1127 CG ARG A 77 63.113 -18.180 8.164 1.00 20.24 C ATOM 1128 CD ARG A 77 62.061 -17.339 8.871 1.00 43.51 C ATOM 1129 NE ARG A 77 61.549 -16.271 8.016 1.00 74.33 N ATOM 1130 CZ ARG A 77 60.426 -15.606 8.264 1.00 11.04 C ATOM 1131 NH1 ARG A 77 59.702 -15.896 9.337 1.00 44.21 N ATOM 1132 NH2 ARG A 77 60.024 -14.648 7.438 1.00 23.44 N ATOM 0 H ARG A 77 64.545 -18.624 10.872 1.00 45.32 H new ATOM 0 HA ARG A 77 65.207 -19.782 8.353 1.00 14.21 H new ATOM 0 HB2 ARG A 77 64.459 -17.033 9.368 1.00 52.00 H new ATOM 0 HB3 ARG A 77 64.983 -17.245 7.709 1.00 52.00 H new ATOM 0 HG2 ARG A 77 62.990 -18.087 7.085 1.00 20.24 H new ATOM 0 HG3 ARG A 77 62.967 -19.231 8.412 1.00 20.24 H new ATOM 0 HD2 ARG A 77 61.236 -17.979 9.185 1.00 43.51 H new ATOM 0 HD3 ARG A 77 62.490 -16.906 9.774 1.00 43.51 H new ATOM 0 HE ARG A 77 62.083 -16.022 7.183 1.00 74.33 H new ATOM 0 HH11 ARG A 77 60.007 -16.631 9.975 1.00 44.21 H new ATOM 0 HH12 ARG A 77 58.840 -15.384 9.525 1.00 44.21 H new ATOM 0 HH21 ARG A 77 60.577 -14.422 6.612 1.00 23.44 H new ATOM 0 HH22 ARG A 77 59.162 -14.138 7.630 1.00 23.44 H new ATOM 1146 N GLY A 78 67.527 -19.113 7.810 1.00 31.11 N ATOM 1147 CA GLY A 78 68.926 -18.820 7.561 1.00 24.13 C ATOM 1148 C GLY A 78 69.855 -19.796 8.257 1.00 10.12 C ATOM 1149 O GLY A 78 70.924 -19.412 8.734 1.00 33.52 O ATOM 0 H GLY A 78 67.107 -19.778 7.161 1.00 31.11 H new ATOM 0 HA2 GLY A 78 69.114 -18.846 6.488 1.00 24.13 H new ATOM 0 HA3 GLY A 78 69.148 -17.808 7.899 1.00 24.13 H new ATOM 1153 N ASP A 79 69.446 -21.058 8.317 1.00 24.03 N ATOM 1154 CA ASP A 79 70.250 -22.091 8.960 1.00 22.23 C ATOM 1155 C ASP A 79 71.031 -22.896 7.926 1.00 71.15 C ATOM 1156 O ASP A 79 70.465 -23.724 7.211 1.00 30.31 O ATOM 1157 CB ASP A 79 69.358 -23.023 9.781 1.00 21.44 C ATOM 1158 CG ASP A 79 69.305 -22.633 11.246 1.00 53.13 C ATOM 1159 OD1 ASP A 79 70.186 -23.078 12.010 1.00 11.31 O ATOM 1160 OD2 ASP A 79 68.381 -21.882 11.627 1.00 21.32 O ATOM 0 H ASP A 79 68.563 -21.391 7.929 1.00 24.03 H new ATOM 0 HA ASP A 79 70.961 -21.601 9.625 1.00 22.23 H new ATOM 0 HB2 ASP A 79 68.349 -23.012 9.368 1.00 21.44 H new ATOM 0 HB3 ASP A 79 69.727 -24.045 9.693 1.00 21.44 H new ATOM 1165 N THR A 80 72.334 -22.645 7.849 1.00 43.53 N ATOM 1166 CA THR A 80 73.192 -23.344 6.900 1.00 22.24 C ATOM 1167 C THR A 80 73.759 -24.621 7.510 1.00 70.44 C ATOM 1168 O THR A 80 74.622 -24.573 8.386 1.00 63.12 O ATOM 1169 CB THR A 80 74.357 -22.450 6.434 1.00 62.35 C ATOM 1170 OG1 THR A 80 75.366 -23.250 5.806 1.00 52.40 O ATOM 1171 CG2 THR A 80 74.960 -21.692 7.606 1.00 1.21 C ATOM 0 H THR A 80 72.818 -21.963 8.432 1.00 43.53 H new ATOM 0 HA THR A 80 72.572 -23.599 6.040 1.00 22.24 H new ATOM 0 HB THR A 80 73.968 -21.727 5.717 1.00 62.35 H new ATOM 0 HG1 THR A 80 75.882 -22.696 5.183 1.00 52.40 H new ATOM 0 HG21 THR A 80 75.780 -21.068 7.252 1.00 1.21 H new ATOM 0 HG22 THR A 80 74.197 -21.063 8.064 1.00 1.21 H new ATOM 0 HG23 THR A 80 75.336 -22.401 8.343 1.00 1.21 H new ATOM 1179 N LEU A 81 73.268 -25.763 7.039 1.00 1.44 N ATOM 1180 CA LEU A 81 73.726 -27.055 7.537 1.00 24.13 C ATOM 1181 C LEU A 81 74.813 -27.632 6.636 1.00 71.24 C ATOM 1182 O LEU A 81 74.696 -27.608 5.409 1.00 3.42 O ATOM 1183 CB LEU A 81 72.554 -28.033 7.631 1.00 1.04 C ATOM 1184 CG LEU A 81 71.489 -27.911 6.541 1.00 25.02 C ATOM 1185 CD1 LEU A 81 70.617 -26.688 6.781 1.00 23.41 C ATOM 1186 CD2 LEU A 81 72.138 -27.843 5.167 1.00 45.22 C ATOM 0 H LEU A 81 72.553 -25.820 6.313 1.00 1.44 H new ATOM 0 HA LEU A 81 74.146 -26.904 8.532 1.00 24.13 H new ATOM 0 HB2 LEU A 81 72.951 -29.048 7.611 1.00 1.04 H new ATOM 0 HB3 LEU A 81 72.071 -27.899 8.599 1.00 1.04 H new ATOM 0 HG LEU A 81 70.855 -28.797 6.578 1.00 25.02 H new ATOM 0 HD11 LEU A 81 69.865 -26.618 5.995 1.00 23.41 H new ATOM 0 HD12 LEU A 81 70.124 -26.777 7.749 1.00 23.41 H new ATOM 0 HD13 LEU A 81 71.237 -25.792 6.771 1.00 23.41 H new ATOM 0 HD21 LEU A 81 71.365 -27.756 4.403 1.00 45.22 H new ATOM 0 HD22 LEU A 81 72.796 -26.975 5.118 1.00 45.22 H new ATOM 0 HD23 LEU A 81 72.719 -28.749 4.994 1.00 45.22 H new ATOM 1198 N THR A 82 75.871 -28.153 7.250 1.00 14.41 N ATOM 1199 CA THR A 82 76.978 -28.737 6.503 1.00 24.11 C ATOM 1200 C THR A 82 76.811 -30.245 6.363 1.00 20.53 C ATOM 1201 O THR A 82 77.082 -30.999 7.299 1.00 50.24 O ATOM 1202 CB THR A 82 78.330 -28.442 7.180 1.00 21.45 C ATOM 1203 OG1 THR A 82 79.395 -29.028 6.425 1.00 73.45 O ATOM 1204 CG2 THR A 82 78.352 -28.984 8.602 1.00 1.43 C ATOM 0 H THR A 82 75.984 -28.182 8.263 1.00 14.41 H new ATOM 0 HA THR A 82 76.968 -28.280 5.514 1.00 24.11 H new ATOM 0 HB THR A 82 78.464 -27.361 7.217 1.00 21.45 H new ATOM 0 HG1 THR A 82 80.251 -28.834 6.862 1.00 73.45 H new ATOM 0 HG21 THR A 82 79.316 -28.764 9.060 1.00 1.43 H new ATOM 0 HG22 THR A 82 77.558 -28.514 9.183 1.00 1.43 H new ATOM 0 HG23 THR A 82 78.197 -30.063 8.583 1.00 1.43 H new ATOM 1212 N ILE A 83 76.364 -30.680 5.190 1.00 13.22 N ATOM 1213 CA ILE A 83 76.163 -32.099 4.928 1.00 51.23 C ATOM 1214 C ILE A 83 76.709 -32.488 3.557 1.00 33.24 C ATOM 1215 O ILE A 83 76.446 -31.817 2.560 1.00 73.14 O ATOM 1216 CB ILE A 83 74.672 -32.480 5.001 1.00 11.24 C ATOM 1217 CG1 ILE A 83 74.239 -33.183 3.713 1.00 12.30 C ATOM 1218 CG2 ILE A 83 73.822 -31.244 5.248 1.00 12.43 C ATOM 1219 CD1 ILE A 83 73.814 -32.229 2.618 1.00 51.14 C ATOM 0 H ILE A 83 76.134 -30.070 4.406 1.00 13.22 H new ATOM 0 HA ILE A 83 76.707 -32.642 5.701 1.00 51.23 H new ATOM 0 HB ILE A 83 74.528 -33.168 5.834 1.00 11.24 H new ATOM 0 HG12 ILE A 83 75.063 -33.797 3.349 1.00 12.30 H new ATOM 0 HG13 ILE A 83 73.413 -33.858 3.937 1.00 12.30 H new ATOM 0 HG21 ILE A 83 72.771 -31.529 5.297 1.00 12.43 H new ATOM 0 HG22 ILE A 83 74.117 -30.782 6.190 1.00 12.43 H new ATOM 0 HG23 ILE A 83 73.968 -30.534 4.434 1.00 12.43 H new ATOM 0 HD11 ILE A 83 73.520 -32.796 1.735 1.00 51.14 H new ATOM 0 HD12 ILE A 83 72.970 -31.632 2.963 1.00 51.14 H new ATOM 0 HD13 ILE A 83 74.645 -31.571 2.366 1.00 51.14 H new ATOM 1231 N GLY A 84 77.468 -33.577 3.516 1.00 65.53 N ATOM 1232 CA GLY A 84 78.038 -34.038 2.263 1.00 43.01 C ATOM 1233 C GLY A 84 79.178 -33.160 1.787 1.00 32.13 C ATOM 1234 O GLY A 84 80.278 -33.647 1.528 1.00 20.22 O ATOM 0 H GLY A 84 77.699 -34.149 4.328 1.00 65.53 H new ATOM 0 HA2 GLY A 84 78.397 -35.060 2.385 1.00 43.01 H new ATOM 0 HA3 GLY A 84 77.260 -34.063 1.500 1.00 43.01 H new ATOM 1238 N GLU A 85 78.915 -31.863 1.671 1.00 54.43 N ATOM 1239 CA GLU A 85 79.928 -30.916 1.219 1.00 15.12 C ATOM 1240 C GLU A 85 80.271 -29.920 2.323 1.00 3.21 C ATOM 1241 O GLU A 85 81.250 -30.095 3.047 1.00 5.41 O ATOM 1242 CB GLU A 85 79.441 -30.168 -0.024 1.00 44.01 C ATOM 1243 CG GLU A 85 79.877 -30.810 -1.330 1.00 24.14 C ATOM 1244 CD GLU A 85 81.355 -30.616 -1.611 1.00 13.40 C ATOM 1245 OE1 GLU A 85 82.177 -31.305 -0.973 1.00 45.32 O ATOM 1246 OE2 GLU A 85 81.688 -29.772 -2.470 1.00 40.11 O ATOM 0 H GLU A 85 78.010 -31.444 1.883 1.00 54.43 H new ATOM 0 HA GLU A 85 80.827 -31.478 0.967 1.00 15.12 H new ATOM 0 HB2 GLU A 85 78.353 -30.113 -0.001 1.00 44.01 H new ATOM 0 HB3 GLU A 85 79.813 -29.144 0.010 1.00 44.01 H new ATOM 0 HG2 GLU A 85 79.654 -31.876 -1.298 1.00 24.14 H new ATOM 0 HG3 GLU A 85 79.297 -30.387 -2.150 1.00 24.14 H new ATOM 1253 N GLU A 86 79.458 -28.875 2.444 1.00 60.51 N ATOM 1254 CA GLU A 86 79.677 -27.851 3.459 1.00 42.33 C ATOM 1255 C GLU A 86 78.355 -27.230 3.899 1.00 21.10 C ATOM 1256 O GLU A 86 77.354 -27.307 3.189 1.00 61.43 O ATOM 1257 CB GLU A 86 80.611 -26.763 2.922 1.00 15.44 C ATOM 1258 CG GLU A 86 81.882 -27.306 2.293 1.00 32.34 C ATOM 1259 CD GLU A 86 81.683 -27.729 0.850 1.00 3.44 C ATOM 1260 OE1 GLU A 86 81.108 -26.938 0.074 1.00 44.42 O ATOM 1261 OE2 GLU A 86 82.104 -28.851 0.498 1.00 24.13 O ATOM 0 H GLU A 86 78.643 -28.715 1.852 1.00 60.51 H new ATOM 0 HA GLU A 86 80.141 -28.325 4.324 1.00 42.33 H new ATOM 0 HB2 GLU A 86 80.075 -26.169 2.182 1.00 15.44 H new ATOM 0 HB3 GLU A 86 80.878 -26.091 3.737 1.00 15.44 H new ATOM 0 HG2 GLU A 86 82.661 -26.545 2.341 1.00 32.34 H new ATOM 0 HG3 GLU A 86 82.234 -28.159 2.873 1.00 32.34 H new ATOM 1268 N ASN A 87 78.360 -26.615 5.078 1.00 63.13 N ATOM 1269 CA ASN A 87 77.161 -25.983 5.615 1.00 1.33 C ATOM 1270 C ASN A 87 76.524 -25.058 4.581 1.00 24.15 C ATOM 1271 O ASN A 87 77.171 -24.147 4.065 1.00 61.23 O ATOM 1272 CB ASN A 87 77.500 -25.193 6.881 1.00 3.24 C ATOM 1273 CG ASN A 87 78.900 -24.612 6.843 1.00 62.21 C ATOM 1274 OD1 ASN A 87 79.889 -25.343 6.915 1.00 3.14 O ATOM 1275 ND2 ASN A 87 78.991 -23.293 6.730 1.00 44.52 N ATOM 0 H ASN A 87 79.181 -26.541 5.679 1.00 63.13 H new ATOM 0 HA ASN A 87 76.447 -26.768 5.864 1.00 1.33 H new ATOM 0 HB2 ASN A 87 76.778 -24.386 7.006 1.00 3.24 H new ATOM 0 HB3 ASN A 87 77.404 -25.845 7.749 1.00 3.24 H new ATOM 0 HD21 ASN A 87 79.907 -22.846 6.700 1.00 44.52 H new ATOM 0 HD22 ASN A 87 78.145 -22.726 6.673 1.00 44.52 H new ATOM 1282 N PHE A 88 75.252 -25.300 4.285 1.00 51.33 N ATOM 1283 CA PHE A 88 74.526 -24.490 3.312 1.00 23.34 C ATOM 1284 C PHE A 88 73.179 -24.043 3.874 1.00 63.44 C ATOM 1285 O PHE A 88 72.332 -24.869 4.213 1.00 73.55 O ATOM 1286 CB PHE A 88 74.316 -25.277 2.017 1.00 72.21 C ATOM 1287 CG PHE A 88 75.585 -25.845 1.449 1.00 62.54 C ATOM 1288 CD1 PHE A 88 76.754 -25.101 1.447 1.00 31.42 C ATOM 1289 CD2 PHE A 88 75.609 -27.124 0.916 1.00 62.41 C ATOM 1290 CE1 PHE A 88 77.922 -25.622 0.924 1.00 64.23 C ATOM 1291 CE2 PHE A 88 76.775 -27.651 0.391 1.00 22.04 C ATOM 1292 CZ PHE A 88 77.933 -26.898 0.397 1.00 71.41 C ATOM 0 H PHE A 88 74.702 -26.050 4.704 1.00 51.33 H new ATOM 0 HA PHE A 88 75.122 -23.603 3.097 1.00 23.34 H new ATOM 0 HB2 PHE A 88 73.615 -26.091 2.205 1.00 72.21 H new ATOM 0 HB3 PHE A 88 73.855 -24.625 1.275 1.00 72.21 H new ATOM 0 HD1 PHE A 88 76.752 -24.103 1.859 1.00 31.42 H new ATOM 0 HD2 PHE A 88 74.706 -27.717 0.911 1.00 62.41 H new ATOM 0 HE1 PHE A 88 78.826 -25.031 0.927 1.00 64.23 H new ATOM 0 HE2 PHE A 88 76.780 -28.649 -0.023 1.00 22.04 H new ATOM 0 HZ PHE A 88 78.846 -27.307 -0.010 1.00 71.41 H new ATOM 1302 N TRP A 89 72.991 -22.733 3.968 1.00 13.32 N ATOM 1303 CA TRP A 89 71.747 -22.176 4.489 1.00 2.30 C ATOM 1304 C TRP A 89 70.654 -22.198 3.427 1.00 62.50 C ATOM 1305 O TRP A 89 70.890 -21.849 2.270 1.00 72.01 O ATOM 1306 CB TRP A 89 71.971 -20.743 4.976 1.00 1.12 C ATOM 1307 CG TRP A 89 71.263 -19.715 4.146 1.00 24.44 C ATOM 1308 CD1 TRP A 89 69.931 -19.416 4.175 1.00 61.31 C ATOM 1309 CD2 TRP A 89 71.850 -18.854 3.165 1.00 13.12 C ATOM 1310 NE1 TRP A 89 69.653 -18.420 3.270 1.00 3.41 N ATOM 1311 CE2 TRP A 89 70.814 -18.057 2.638 1.00 64.35 C ATOM 1312 CE3 TRP A 89 73.148 -18.676 2.681 1.00 23.53 C ATOM 1313 CZ2 TRP A 89 71.040 -17.101 1.652 1.00 60.32 C ATOM 1314 CZ3 TRP A 89 73.370 -17.727 1.702 1.00 23.35 C ATOM 1315 CH2 TRP A 89 72.321 -16.948 1.196 1.00 32.30 C ATOM 0 H TRP A 89 73.682 -22.036 3.691 1.00 13.32 H new ATOM 0 HA TRP A 89 71.425 -22.793 5.328 1.00 2.30 H new ATOM 0 HB2 TRP A 89 71.633 -20.661 6.009 1.00 1.12 H new ATOM 0 HB3 TRP A 89 73.040 -20.529 4.973 1.00 1.12 H new ATOM 0 HD1 TRP A 89 69.203 -19.892 4.815 1.00 61.31 H new ATOM 0 HE1 TRP A 89 68.732 -18.016 3.097 1.00 3.41 H new ATOM 0 HE3 TRP A 89 73.964 -19.270 3.065 1.00 23.53 H new ATOM 0 HZ2 TRP A 89 70.232 -16.501 1.260 1.00 60.32 H new ATOM 0 HZ3 TRP A 89 74.370 -17.583 1.320 1.00 23.35 H new ATOM 0 HH2 TRP A 89 72.527 -16.213 0.432 1.00 32.30 H new ATOM 1326 N VAL A 90 69.456 -22.614 3.826 1.00 12.24 N ATOM 1327 CA VAL A 90 68.325 -22.681 2.908 1.00 53.30 C ATOM 1328 C VAL A 90 67.524 -21.384 2.926 1.00 2.03 C ATOM 1329 O VAL A 90 67.251 -20.825 3.989 1.00 72.34 O ATOM 1330 CB VAL A 90 67.389 -23.854 3.256 1.00 11.52 C ATOM 1331 CG1 VAL A 90 67.017 -23.822 4.731 1.00 53.50 C ATOM 1332 CG2 VAL A 90 66.143 -23.818 2.383 1.00 63.22 C ATOM 0 H VAL A 90 69.244 -22.910 4.779 1.00 12.24 H new ATOM 0 HA VAL A 90 68.736 -22.837 1.911 1.00 53.30 H new ATOM 0 HB VAL A 90 67.917 -24.787 3.059 1.00 11.52 H new ATOM 0 HG11 VAL A 90 66.355 -24.658 4.958 1.00 53.50 H new ATOM 0 HG12 VAL A 90 67.920 -23.900 5.336 1.00 53.50 H new ATOM 0 HG13 VAL A 90 66.508 -22.885 4.958 1.00 53.50 H new ATOM 0 HG21 VAL A 90 65.493 -24.654 2.642 1.00 63.22 H new ATOM 0 HG22 VAL A 90 65.611 -22.881 2.546 1.00 63.22 H new ATOM 0 HG23 VAL A 90 66.431 -23.894 1.335 1.00 63.22 H new ATOM 1342 N ASP A 91 67.151 -20.909 1.743 1.00 13.33 N ATOM 1343 CA ASP A 91 66.379 -19.677 1.622 1.00 43.01 C ATOM 1344 C ASP A 91 65.014 -19.823 2.287 1.00 23.02 C ATOM 1345 O ASP A 91 64.766 -19.253 3.349 1.00 2.41 O ATOM 1346 CB ASP A 91 66.205 -19.302 0.149 1.00 4.44 C ATOM 1347 CG ASP A 91 66.448 -17.828 -0.104 1.00 53.50 C ATOM 1348 OD1 ASP A 91 67.343 -17.252 0.550 1.00 71.21 O ATOM 1349 OD2 ASP A 91 65.743 -17.248 -0.957 1.00 12.31 O ATOM 0 H ASP A 91 67.370 -21.358 0.854 1.00 13.33 H new ATOM 0 HA ASP A 91 66.927 -18.883 2.129 1.00 43.01 H new ATOM 0 HB2 ASP A 91 66.894 -19.890 -0.457 1.00 4.44 H new ATOM 0 HB3 ASP A 91 65.196 -19.562 -0.173 1.00 4.44 H new ATOM 1354 N ARG A 92 64.133 -20.590 1.654 1.00 72.41 N ATOM 1355 CA ARG A 92 62.793 -20.810 2.183 1.00 35.23 C ATOM 1356 C ARG A 92 62.170 -22.068 1.585 1.00 21.44 C ATOM 1357 O ARG A 92 62.036 -22.188 0.367 1.00 30.43 O ATOM 1358 CB ARG A 92 61.902 -19.600 1.892 1.00 2.04 C ATOM 1359 CG ARG A 92 62.005 -19.098 0.462 1.00 74.32 C ATOM 1360 CD ARG A 92 61.140 -17.867 0.239 1.00 71.42 C ATOM 1361 NE ARG A 92 59.808 -18.215 -0.248 1.00 22.02 N ATOM 1362 CZ ARG A 92 58.818 -17.337 -0.370 1.00 31.32 C ATOM 1363 NH1 ARG A 92 59.009 -16.067 -0.042 1.00 22.23 N ATOM 1364 NH2 ARG A 92 57.634 -17.730 -0.821 1.00 1.01 N ATOM 0 H ARG A 92 64.323 -21.070 0.774 1.00 72.41 H new ATOM 0 HA ARG A 92 62.874 -20.944 3.262 1.00 35.23 H new ATOM 0 HB2 ARG A 92 60.865 -19.864 2.102 1.00 2.04 H new ATOM 0 HB3 ARG A 92 62.169 -18.791 2.572 1.00 2.04 H new ATOM 0 HG2 ARG A 92 63.044 -18.860 0.233 1.00 74.32 H new ATOM 0 HG3 ARG A 92 61.700 -19.888 -0.225 1.00 74.32 H new ATOM 0 HD2 ARG A 92 61.051 -17.312 1.173 1.00 71.42 H new ATOM 0 HD3 ARG A 92 61.627 -17.207 -0.478 1.00 71.42 H new ATOM 0 HE ARG A 92 59.628 -19.185 -0.509 1.00 22.02 H new ATOM 0 HH11 ARG A 92 59.918 -15.761 0.305 1.00 22.23 H new ATOM 0 HH12 ARG A 92 58.247 -15.396 -0.137 1.00 22.23 H new ATOM 0 HH21 ARG A 92 57.483 -18.706 -1.074 1.00 1.01 H new ATOM 0 HH22 ARG A 92 56.874 -17.056 -0.914 1.00 1.01 H new ATOM 1378 N VAL A 93 61.793 -23.004 2.450 1.00 42.01 N ATOM 1379 CA VAL A 93 61.185 -24.254 2.007 1.00 13.43 C ATOM 1380 C VAL A 93 59.732 -24.348 2.460 1.00 4.31 C ATOM 1381 O VAL A 93 59.404 -24.018 3.600 1.00 72.42 O ATOM 1382 CB VAL A 93 61.958 -25.474 2.541 1.00 13.34 C ATOM 1383 CG1 VAL A 93 63.408 -25.427 2.087 1.00 25.52 C ATOM 1384 CG2 VAL A 93 61.867 -25.540 4.059 1.00 43.43 C ATOM 0 H VAL A 93 61.898 -22.921 3.461 1.00 42.01 H new ATOM 0 HA VAL A 93 61.224 -24.257 0.918 1.00 13.43 H new ATOM 0 HB VAL A 93 61.504 -26.377 2.134 1.00 13.34 H new ATOM 0 HG11 VAL A 93 63.939 -26.297 2.474 1.00 25.52 H new ATOM 0 HG12 VAL A 93 63.449 -25.432 0.998 1.00 25.52 H new ATOM 0 HG13 VAL A 93 63.878 -24.518 2.463 1.00 25.52 H new ATOM 0 HG21 VAL A 93 62.419 -26.408 4.419 1.00 43.43 H new ATOM 0 HG22 VAL A 93 62.295 -24.634 4.489 1.00 43.43 H new ATOM 0 HG23 VAL A 93 60.822 -25.625 4.358 1.00 43.43 H new ATOM 1394 N SER A 94 58.866 -24.802 1.560 1.00 12.24 N ATOM 1395 CA SER A 94 57.446 -24.937 1.865 1.00 5.13 C ATOM 1396 C SER A 94 56.942 -26.329 1.496 1.00 34.13 C ATOM 1397 O SER A 94 56.664 -26.629 0.335 1.00 41.05 O ATOM 1398 CB SER A 94 56.638 -23.875 1.118 1.00 40.55 C ATOM 1399 OG SER A 94 55.265 -24.220 1.067 1.00 2.31 O ATOM 0 H SER A 94 59.123 -25.083 0.614 1.00 12.24 H new ATOM 0 HA SER A 94 57.315 -24.794 2.938 1.00 5.13 H new ATOM 0 HB2 SER A 94 56.755 -22.910 1.612 1.00 40.55 H new ATOM 0 HB3 SER A 94 57.026 -23.764 0.105 1.00 40.55 H new ATOM 0 HG SER A 94 54.771 -23.524 0.586 1.00 2.31 H new ATOM 1405 N PRO A 95 56.820 -27.200 2.509 1.00 75.43 N ATOM 1406 CA PRO A 95 56.348 -28.575 2.317 1.00 71.44 C ATOM 1407 C PRO A 95 54.866 -28.634 1.958 1.00 65.14 C ATOM 1408 O PRO A 95 54.157 -27.632 2.041 1.00 23.23 O ATOM 1409 CB PRO A 95 56.594 -29.228 3.679 1.00 52.13 C ATOM 1410 CG PRO A 95 56.571 -28.099 4.650 1.00 4.31 C ATOM 1411 CD PRO A 95 57.133 -26.912 3.918 1.00 12.33 C ATOM 0 HA PRO A 95 56.861 -29.071 1.493 1.00 71.44 H new ATOM 0 HB2 PRO A 95 55.824 -29.964 3.910 1.00 52.13 H new ATOM 0 HB3 PRO A 95 57.551 -29.750 3.701 1.00 52.13 H new ATOM 0 HG2 PRO A 95 55.556 -27.901 4.994 1.00 4.31 H new ATOM 0 HG3 PRO A 95 57.167 -28.331 5.533 1.00 4.31 H new ATOM 0 HD2 PRO A 95 56.673 -25.981 4.249 1.00 12.33 H new ATOM 0 HD3 PRO A 95 58.206 -26.812 4.079 1.00 12.33 H new ATOM 1419 N ASP A 96 54.406 -29.815 1.558 1.00 5.02 N ATOM 1420 CA ASP A 96 53.009 -30.005 1.188 1.00 61.33 C ATOM 1421 C ASP A 96 52.415 -31.211 1.911 1.00 10.30 C ATOM 1422 O ASP A 96 51.251 -31.555 1.709 1.00 75.20 O ATOM 1423 CB ASP A 96 52.881 -30.189 -0.325 1.00 63.04 C ATOM 1424 CG ASP A 96 51.525 -29.755 -0.848 1.00 4.13 C ATOM 1425 OD1 ASP A 96 50.915 -28.853 -0.236 1.00 65.13 O ATOM 1426 OD2 ASP A 96 51.074 -30.319 -1.868 1.00 2.21 O ATOM 0 H ASP A 96 54.980 -30.654 1.482 1.00 5.02 H new ATOM 0 HA ASP A 96 52.455 -29.115 1.487 1.00 61.33 H new ATOM 0 HB2 ASP A 96 53.661 -29.615 -0.825 1.00 63.04 H new ATOM 0 HB3 ASP A 96 53.046 -31.237 -0.576 1.00 63.04 H new ATOM 1457 N SER A 100 58.062 -32.339 4.125 1.00 54.31 N ATOM 1458 CA SER A 100 58.651 -32.520 2.803 1.00 65.10 C ATOM 1459 C SER A 100 59.002 -31.174 2.175 1.00 73.32 C ATOM 1460 O SER A 100 58.352 -30.732 1.227 1.00 2.33 O ATOM 1461 CB SER A 100 57.690 -33.285 1.893 1.00 73.53 C ATOM 1462 OG SER A 100 58.238 -33.451 0.596 1.00 35.42 O ATOM 0 HA SER A 100 59.568 -33.098 2.918 1.00 65.10 H new ATOM 0 HB2 SER A 100 57.473 -34.261 2.327 1.00 73.53 H new ATOM 0 HB3 SER A 100 56.744 -32.748 1.825 1.00 73.53 H new ATOM 0 HG SER A 100 57.605 -33.944 0.034 1.00 35.42 H new ATOM 1468 N CYS A 101 60.033 -30.530 2.710 1.00 60.03 N ATOM 1469 CA CYS A 101 60.471 -29.234 2.203 1.00 75.21 C ATOM 1470 C CYS A 101 61.817 -29.352 1.497 1.00 2.04 C ATOM 1471 O CYS A 101 62.647 -30.188 1.857 1.00 74.53 O ATOM 1472 CB CYS A 101 60.567 -28.222 3.346 1.00 22.31 C ATOM 1473 SG CYS A 101 59.873 -28.807 4.910 1.00 11.52 S ATOM 0 H CYS A 101 60.581 -30.883 3.494 1.00 60.03 H new ATOM 0 HA CYS A 101 59.733 -28.886 1.481 1.00 75.21 H new ATOM 0 HB2 CYS A 101 61.614 -27.962 3.500 1.00 22.31 H new ATOM 0 HB3 CYS A 101 60.052 -27.308 3.052 1.00 22.31 H new ATOM 0 HG CYS A 101 60.506 -29.876 5.293 1.00 11.52 H new ATOM 1479 N HIS A 102 62.027 -28.512 0.489 1.00 2.44 N ATOM 1480 CA HIS A 102 63.273 -28.522 -0.268 1.00 64.24 C ATOM 1481 C HIS A 102 63.469 -27.206 -1.013 1.00 53.03 C ATOM 1482 O HIS A 102 62.594 -26.769 -1.764 1.00 62.31 O ATOM 1483 CB HIS A 102 63.283 -29.688 -1.258 1.00 25.12 C ATOM 1484 CG HIS A 102 62.166 -29.638 -2.254 1.00 11.35 C ATOM 1485 ND1 HIS A 102 62.282 -29.031 -3.487 1.00 4.03 N ATOM 1486 CD2 HIS A 102 60.904 -30.124 -2.194 1.00 33.44 C ATOM 1487 CE1 HIS A 102 61.141 -29.145 -4.141 1.00 3.23 C ATOM 1488 NE2 HIS A 102 60.288 -29.805 -3.379 1.00 61.21 N ATOM 0 H HIS A 102 61.350 -27.816 0.177 1.00 2.44 H new ATOM 0 HA HIS A 102 64.095 -28.645 0.437 1.00 64.24 H new ATOM 0 HB2 HIS A 102 64.234 -29.693 -1.791 1.00 25.12 H new ATOM 0 HB3 HIS A 102 63.223 -30.625 -0.704 1.00 25.12 H new ATOM 0 HD2 HIS A 102 60.464 -30.662 -1.368 1.00 33.44 H new ATOM 0 HE1 HIS A 102 60.939 -28.763 -5.131 1.00 3.23 H new ATOM 0 HE2 HIS A 102 59.328 -30.040 -3.630 1.00 61.21 H new ATOM 1496 N LEU A 103 64.619 -26.576 -0.801 1.00 42.25 N ATOM 1497 CA LEU A 103 64.928 -25.308 -1.453 1.00 41.22 C ATOM 1498 C LEU A 103 66.433 -25.146 -1.644 1.00 21.41 C ATOM 1499 O LEU A 103 67.226 -25.621 -0.829 1.00 55.24 O ATOM 1500 CB LEU A 103 64.379 -24.142 -0.630 1.00 14.12 C ATOM 1501 CG LEU A 103 64.279 -22.797 -1.352 1.00 62.45 C ATOM 1502 CD1 LEU A 103 65.661 -22.196 -1.555 1.00 24.41 C ATOM 1503 CD2 LEU A 103 63.566 -22.961 -2.687 1.00 22.11 C ATOM 0 H LEU A 103 65.353 -26.922 -0.183 1.00 42.25 H new ATOM 0 HA LEU A 103 64.454 -25.307 -2.434 1.00 41.22 H new ATOM 0 HB2 LEU A 103 63.386 -24.413 -0.271 1.00 14.12 H new ATOM 0 HB3 LEU A 103 65.012 -24.014 0.248 1.00 14.12 H new ATOM 0 HG LEU A 103 63.696 -22.116 -0.732 1.00 62.45 H new ATOM 0 HD11 LEU A 103 65.570 -21.240 -2.070 1.00 24.41 H new ATOM 0 HD12 LEU A 103 66.137 -22.043 -0.586 1.00 24.41 H new ATOM 0 HD13 LEU A 103 66.268 -22.874 -2.154 1.00 24.41 H new ATOM 0 HD21 LEU A 103 63.504 -21.995 -3.187 1.00 22.11 H new ATOM 0 HD22 LEU A 103 64.122 -23.659 -3.313 1.00 22.11 H new ATOM 0 HD23 LEU A 103 62.561 -23.347 -2.518 1.00 22.11 H new ATOM 1515 N TRP A 104 66.818 -24.473 -2.721 1.00 64.22 N ATOM 1516 CA TRP A 104 68.229 -24.247 -3.017 1.00 21.22 C ATOM 1517 C TRP A 104 68.883 -23.396 -1.934 1.00 12.44 C ATOM 1518 O TRP A 104 68.541 -22.225 -1.761 1.00 4.44 O ATOM 1519 CB TRP A 104 68.383 -23.567 -4.379 1.00 61.31 C ATOM 1520 CG TRP A 104 67.810 -24.368 -5.510 1.00 3.21 C ATOM 1521 CD1 TRP A 104 68.436 -25.355 -6.215 1.00 63.05 C ATOM 1522 CD2 TRP A 104 66.496 -24.246 -6.066 1.00 61.25 C ATOM 1523 NE1 TRP A 104 67.592 -25.854 -7.176 1.00 61.35 N ATOM 1524 CE2 TRP A 104 66.395 -25.192 -7.105 1.00 71.24 C ATOM 1525 CE3 TRP A 104 65.396 -23.433 -5.786 1.00 53.04 C ATOM 1526 CZ2 TRP A 104 65.238 -25.343 -7.864 1.00 11.34 C ATOM 1527 CZ3 TRP A 104 64.247 -23.583 -6.541 1.00 5.30 C ATOM 1528 CH2 TRP A 104 64.175 -24.533 -7.569 1.00 14.13 C ATOM 0 H TRP A 104 66.174 -24.074 -3.404 1.00 64.22 H new ATOM 0 HA TRP A 104 68.729 -25.215 -3.043 1.00 21.22 H new ATOM 0 HB2 TRP A 104 67.894 -22.593 -4.348 1.00 61.31 H new ATOM 0 HB3 TRP A 104 69.441 -23.387 -4.570 1.00 61.31 H new ATOM 0 HD1 TRP A 104 69.447 -25.694 -6.042 1.00 63.05 H new ATOM 0 HE1 TRP A 104 67.820 -26.598 -7.836 1.00 61.35 H new ATOM 0 HE3 TRP A 104 65.442 -22.700 -4.994 1.00 53.04 H new ATOM 0 HZ2 TRP A 104 65.181 -26.073 -8.658 1.00 11.34 H new ATOM 0 HZ3 TRP A 104 63.391 -22.958 -6.335 1.00 5.30 H new ATOM 0 HH2 TRP A 104 63.263 -24.628 -8.139 1.00 14.13 H new ATOM 1539 N LEU A 105 69.824 -23.990 -1.208 1.00 14.01 N ATOM 1540 CA LEU A 105 70.525 -23.286 -0.142 1.00 0.14 C ATOM 1541 C LEU A 105 71.824 -22.672 -0.657 1.00 33.33 C ATOM 1542 O LEU A 105 72.330 -23.059 -1.709 1.00 3.43 O ATOM 1543 CB LEU A 105 70.823 -24.239 1.017 1.00 31.41 C ATOM 1544 CG LEU A 105 70.975 -25.716 0.648 1.00 2.51 C ATOM 1545 CD1 LEU A 105 72.189 -25.920 -0.244 1.00 63.22 C ATOM 1546 CD2 LEU A 105 71.083 -26.570 1.903 1.00 44.02 C ATOM 0 H LEU A 105 70.119 -24.958 -1.339 1.00 14.01 H new ATOM 0 HA LEU A 105 69.880 -22.482 0.214 1.00 0.14 H new ATOM 0 HB2 LEU A 105 71.741 -23.910 1.505 1.00 31.41 H new ATOM 0 HB3 LEU A 105 70.022 -24.149 1.751 1.00 31.41 H new ATOM 0 HG LEU A 105 70.088 -26.027 0.096 1.00 2.51 H new ATOM 0 HD11 LEU A 105 72.282 -26.976 -0.497 1.00 63.22 H new ATOM 0 HD12 LEU A 105 72.071 -25.337 -1.158 1.00 63.22 H new ATOM 0 HD13 LEU A 105 73.086 -25.593 0.282 1.00 63.22 H new ATOM 0 HD21 LEU A 105 71.191 -27.618 1.622 1.00 44.02 H new ATOM 0 HD22 LEU A 105 71.953 -26.258 2.481 1.00 44.02 H new ATOM 0 HD23 LEU A 105 70.183 -26.447 2.506 1.00 44.02 H new ATOM 1558 N GLY A 106 72.358 -21.714 0.094 1.00 4.25 N ATOM 1559 CA GLY A 106 73.594 -21.064 -0.301 1.00 10.11 C ATOM 1560 C GLY A 106 74.821 -21.782 0.224 1.00 72.24 C ATOM 1561 O GLY A 106 74.733 -22.566 1.169 1.00 75.50 O ATOM 0 H GLY A 106 71.957 -21.376 0.969 1.00 4.25 H new ATOM 0 HA2 GLY A 106 73.643 -21.015 -1.389 1.00 10.11 H new ATOM 0 HA3 GLY A 106 73.594 -20.037 0.065 1.00 10.11 H new ATOM 1565 N ARG A 107 75.969 -21.517 -0.391 1.00 2.43 N ATOM 1566 CA ARG A 107 77.219 -22.146 0.019 1.00 51.13 C ATOM 1567 C ARG A 107 77.647 -21.657 1.399 1.00 54.23 C ATOM 1568 O ARG A 107 77.243 -20.582 1.841 1.00 73.30 O ATOM 1569 CB ARG A 107 78.320 -21.853 -1.002 1.00 41.32 C ATOM 1570 CG ARG A 107 79.005 -20.513 -0.792 1.00 32.25 C ATOM 1571 CD ARG A 107 79.271 -19.809 -2.113 1.00 74.24 C ATOM 1572 NE ARG A 107 80.188 -18.683 -1.959 1.00 52.12 N ATOM 1573 CZ ARG A 107 81.491 -18.821 -1.745 1.00 43.02 C ATOM 1574 NH1 ARG A 107 82.029 -20.031 -1.660 1.00 12.30 N ATOM 1575 NH2 ARG A 107 82.262 -17.748 -1.616 1.00 15.25 N ATOM 0 H ARG A 107 76.059 -20.871 -1.175 1.00 2.43 H new ATOM 0 HA ARG A 107 77.056 -23.223 0.069 1.00 51.13 H new ATOM 0 HB2 ARG A 107 79.068 -22.645 -0.955 1.00 41.32 H new ATOM 0 HB3 ARG A 107 77.891 -21.879 -2.004 1.00 41.32 H new ATOM 0 HG2 ARG A 107 78.382 -19.880 -0.160 1.00 32.25 H new ATOM 0 HG3 ARG A 107 79.946 -20.663 -0.263 1.00 32.25 H new ATOM 0 HD2 ARG A 107 79.688 -20.521 -2.825 1.00 74.24 H new ATOM 0 HD3 ARG A 107 78.329 -19.454 -2.531 1.00 74.24 H new ATOM 0 HE ARG A 107 79.807 -17.739 -2.019 1.00 52.12 H new ATOM 0 HH11 ARG A 107 81.441 -20.859 -1.759 1.00 12.30 H new ATOM 0 HH12 ARG A 107 83.030 -20.133 -1.496 1.00 12.30 H new ATOM 0 HH21 ARG A 107 81.854 -16.816 -1.681 1.00 15.25 H new ATOM 0 HH22 ARG A 107 83.263 -17.856 -1.452 1.00 15.25 H new ATOM 1589 N GLY A 108 78.467 -22.455 2.076 1.00 72.14 N ATOM 1590 CA GLY A 108 78.936 -22.087 3.399 1.00 64.04 C ATOM 1591 C GLY A 108 79.971 -23.055 3.937 1.00 5.34 C ATOM 1592 O GLY A 108 79.654 -24.202 4.254 1.00 2.31 O ATOM 0 H GLY A 108 78.815 -23.350 1.732 1.00 72.14 H new ATOM 0 HA2 GLY A 108 79.364 -21.085 3.364 1.00 64.04 H new ATOM 0 HA3 GLY A 108 78.089 -22.048 4.084 1.00 64.04 H new ATOM 1596 N VAL A 109 81.214 -22.594 4.039 1.00 12.54 N ATOM 1597 CA VAL A 109 82.300 -23.427 4.542 1.00 53.10 C ATOM 1598 C VAL A 109 82.354 -23.399 6.065 1.00 71.12 C ATOM 1599 O VAL A 109 82.264 -22.345 6.695 1.00 31.42 O ATOM 1600 CB VAL A 109 83.661 -22.971 3.983 1.00 72.40 C ATOM 1601 CG1 VAL A 109 84.778 -23.858 4.511 1.00 5.33 C ATOM 1602 CG2 VAL A 109 83.640 -22.975 2.462 1.00 0.21 C ATOM 0 H VAL A 109 81.494 -21.648 3.780 1.00 12.54 H new ATOM 0 HA VAL A 109 82.100 -24.445 4.207 1.00 53.10 H new ATOM 0 HB VAL A 109 83.849 -21.951 4.318 1.00 72.40 H new ATOM 0 HG11 VAL A 109 85.732 -23.521 4.106 1.00 5.33 H new ATOM 0 HG12 VAL A 109 84.805 -23.800 5.599 1.00 5.33 H new ATOM 0 HG13 VAL A 109 84.598 -24.889 4.207 1.00 5.33 H new ATOM 0 HG21 VAL A 109 84.609 -22.650 2.084 1.00 0.21 H new ATOM 0 HG22 VAL A 109 83.430 -23.983 2.104 1.00 0.21 H new ATOM 0 HG23 VAL A 109 82.866 -22.295 2.107 1.00 0.21 H new ATOM 1612 N PRO A 110 82.505 -24.585 6.673 1.00 33.00 N ATOM 1613 CA PRO A 110 82.574 -24.724 8.131 1.00 63.15 C ATOM 1614 C PRO A 110 83.867 -24.155 8.705 1.00 4.35 C ATOM 1615 O PRO A 110 84.800 -23.813 7.979 1.00 4.33 O ATOM 1616 CB PRO A 110 82.516 -26.238 8.346 1.00 31.32 C ATOM 1617 CG PRO A 110 83.040 -26.822 7.080 1.00 10.41 C ATOM 1618 CD PRO A 110 82.618 -25.882 5.985 1.00 43.41 C ATOM 0 HA PRO A 110 81.774 -24.178 8.631 1.00 63.15 H new ATOM 0 HB2 PRO A 110 83.121 -26.540 9.201 1.00 31.32 H new ATOM 0 HB3 PRO A 110 81.497 -26.571 8.543 1.00 31.32 H new ATOM 0 HG2 PRO A 110 84.125 -26.919 7.115 1.00 10.41 H new ATOM 0 HG3 PRO A 110 82.636 -27.821 6.914 1.00 10.41 H new ATOM 0 HD2 PRO A 110 83.352 -25.847 5.180 1.00 43.41 H new ATOM 0 HD3 PRO A 110 81.670 -26.184 5.539 1.00 43.41 H new