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 -154:sc= -4.11! USER MOD Set 1.2: A 87 ASN : amide:sc= -4.78! C(o=-8.9!,f=-12!) USER MOD Single : A 25 THR OG1 : rot -27:sc= -1.56 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= -0.032 USER MOD Single : A 31 SER OG : rot 180:sc= -1.07 USER MOD Single : A 34 GLN : amide:sc= -0.278 K(o=-0.28,f=-2.5!) USER MOD Single : A 35 SER OG : rot 24:sc= 0.0631 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.092 USER MOD Single : A 74 GLN : amide:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.22 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 -17:sc= -1.14 USER MOD Single : A 102 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 356 N THR A 25 68.406 -38.389 5.182 1.00 34.34 N ATOM 357 CA THR A 25 69.519 -37.533 4.796 1.00 5.14 C ATOM 358 C THR A 25 70.358 -37.142 6.007 1.00 12.43 C ATOM 359 O THR A 25 69.924 -36.351 6.844 1.00 14.54 O ATOM 360 CB THR A 25 69.028 -36.255 4.091 1.00 74.20 C ATOM 361 OG1 THR A 25 68.129 -35.539 4.947 1.00 41.42 O ATOM 362 CG2 THR A 25 68.328 -36.592 2.783 1.00 24.24 C ATOM 0 HA THR A 25 70.133 -38.108 4.102 1.00 5.14 H new ATOM 0 HB THR A 25 69.895 -35.632 3.871 1.00 74.20 H new ATOM 0 HG1 THR A 25 67.697 -36.165 5.565 1.00 41.42 H new ATOM 0 HG21 THR A 25 67.990 -35.673 2.304 1.00 24.24 H new ATOM 0 HG22 THR A 25 69.022 -37.112 2.122 1.00 24.24 H new ATOM 0 HG23 THR A 25 67.470 -37.233 2.984 1.00 24.24 H new ATOM 370 N SER A 26 71.561 -37.700 6.094 1.00 13.14 N ATOM 371 CA SER A 26 72.459 -37.411 7.206 1.00 20.21 C ATOM 372 C SER A 26 73.104 -36.039 7.040 1.00 45.33 C ATOM 373 O SER A 26 73.765 -35.769 6.037 1.00 54.42 O ATOM 374 CB SER A 26 73.541 -38.487 7.308 1.00 20.11 C ATOM 375 OG SER A 26 73.265 -39.390 8.364 1.00 33.12 O ATOM 0 H SER A 26 71.936 -38.355 5.408 1.00 13.14 H new ATOM 0 HA SER A 26 71.872 -37.409 8.124 1.00 20.21 H new ATOM 0 HB2 SER A 26 73.605 -39.033 6.367 1.00 20.11 H new ATOM 0 HB3 SER A 26 74.511 -38.017 7.471 1.00 20.11 H new ATOM 0 HG SER A 26 73.971 -40.069 8.407 1.00 33.12 H new ATOM 381 N ALA A 27 72.909 -35.175 8.032 1.00 65.21 N ATOM 382 CA ALA A 27 73.473 -33.832 7.998 1.00 64.22 C ATOM 383 C ALA A 27 73.731 -33.309 9.407 1.00 74.13 C ATOM 384 O ALA A 27 73.181 -33.823 10.381 1.00 10.03 O ATOM 385 CB ALA A 27 72.547 -32.890 7.243 1.00 52.22 C ATOM 0 H ALA A 27 72.364 -35.382 8.869 1.00 65.21 H new ATOM 0 HA ALA A 27 74.429 -33.879 7.476 1.00 64.22 H new ATOM 0 HB1 ALA A 27 72.981 -31.890 7.225 1.00 52.22 H new ATOM 0 HB2 ALA A 27 72.418 -33.248 6.221 1.00 52.22 H new ATOM 0 HB3 ALA A 27 71.578 -32.856 7.741 1.00 52.22 H new ATOM 391 N THR A 28 74.570 -32.283 9.508 1.00 71.21 N ATOM 392 CA THR A 28 74.901 -31.691 10.798 1.00 13.45 C ATOM 393 C THR A 28 74.776 -30.172 10.755 1.00 62.52 C ATOM 394 O THR A 28 75.739 -29.469 10.448 1.00 61.31 O ATOM 395 CB THR A 28 76.329 -32.065 11.237 1.00 10.24 C ATOM 396 OG1 THR A 28 76.374 -33.438 11.641 1.00 12.42 O ATOM 397 CG2 THR A 28 76.792 -31.178 12.384 1.00 22.51 C ATOM 0 H THR A 28 75.033 -31.845 8.712 1.00 71.21 H new ATOM 0 HA THR A 28 74.190 -32.090 11.521 1.00 13.45 H new ATOM 0 HB THR A 28 76.997 -31.914 10.389 1.00 10.24 H new ATOM 0 HG1 THR A 28 77.286 -33.668 11.917 1.00 12.42 H new ATOM 0 HG21 THR A 28 77.803 -31.461 12.677 1.00 22.51 H new ATOM 0 HG22 THR A 28 76.785 -30.136 12.064 1.00 22.51 H new ATOM 0 HG23 THR A 28 76.120 -31.301 13.233 1.00 22.51 H new ATOM 405 N ILE A 29 73.585 -29.673 11.065 1.00 54.13 N ATOM 406 CA ILE A 29 73.335 -28.236 11.063 1.00 65.14 C ATOM 407 C ILE A 29 74.475 -27.479 11.736 1.00 33.43 C ATOM 408 O ILE A 29 74.893 -27.820 12.844 1.00 73.11 O ATOM 409 CB ILE A 29 72.014 -27.893 11.777 1.00 71.05 C ATOM 410 CG1 ILE A 29 71.776 -28.851 12.945 1.00 4.25 C ATOM 411 CG2 ILE A 29 70.852 -27.948 10.795 1.00 63.10 C ATOM 412 CD1 ILE A 29 70.569 -28.495 13.783 1.00 21.20 C ATOM 0 H ILE A 29 72.778 -30.241 11.321 1.00 54.13 H new ATOM 0 HA ILE A 29 73.264 -27.930 10.019 1.00 65.14 H new ATOM 0 HB ILE A 29 72.084 -26.879 12.172 1.00 71.05 H new ATOM 0 HG12 ILE A 29 71.652 -29.862 12.556 1.00 4.25 H new ATOM 0 HG13 ILE A 29 72.660 -28.861 13.582 1.00 4.25 H new ATOM 0 HG21 ILE A 29 69.925 -27.703 11.314 1.00 63.10 H new ATOM 0 HG22 ILE A 29 71.019 -27.229 9.993 1.00 63.10 H new ATOM 0 HG23 ILE A 29 70.778 -28.951 10.374 1.00 63.10 H new ATOM 0 HD11 ILE A 29 70.462 -29.217 14.592 1.00 21.20 H new ATOM 0 HD12 ILE A 29 70.698 -27.497 14.202 1.00 21.20 H new ATOM 0 HD13 ILE A 29 69.675 -28.514 13.160 1.00 21.20 H new ATOM 424 N THR A 30 74.975 -26.449 11.061 1.00 61.34 N ATOM 425 CA THR A 30 76.065 -25.643 11.594 1.00 3.01 C ATOM 426 C THR A 30 76.033 -24.229 11.024 1.00 2.23 C ATOM 427 O THR A 30 76.493 -23.988 9.908 1.00 3.53 O ATOM 428 CB THR A 30 77.436 -26.277 11.285 1.00 75.55 C ATOM 429 OG1 THR A 30 77.405 -27.677 11.585 1.00 44.22 O ATOM 430 CG2 THR A 30 78.536 -25.604 12.091 1.00 20.30 C ATOM 0 H THR A 30 74.642 -26.153 10.143 1.00 61.34 H new ATOM 0 HA THR A 30 75.927 -25.600 12.674 1.00 3.01 H new ATOM 0 HB THR A 30 77.648 -26.137 10.225 1.00 75.55 H new ATOM 0 HG1 THR A 30 76.736 -28.118 11.020 1.00 44.22 H new ATOM 0 HG21 THR A 30 79.494 -26.068 11.857 1.00 20.30 H new ATOM 0 HG22 THR A 30 78.575 -24.544 11.840 1.00 20.30 H new ATOM 0 HG23 THR A 30 78.329 -25.717 13.155 1.00 20.30 H new ATOM 438 N SER A 31 75.487 -23.297 11.798 1.00 41.23 N ATOM 439 CA SER A 31 75.391 -21.906 11.369 1.00 64.31 C ATOM 440 C SER A 31 75.708 -20.959 12.522 1.00 15.32 C ATOM 441 O SER A 31 74.818 -20.305 13.065 1.00 4.42 O ATOM 442 CB SER A 31 73.993 -21.613 10.823 1.00 63.32 C ATOM 443 OG SER A 31 73.974 -20.398 10.095 1.00 43.35 O ATOM 0 H SER A 31 75.104 -23.479 12.726 1.00 41.23 H new ATOM 0 HA SER A 31 76.123 -21.745 10.577 1.00 64.31 H new ATOM 0 HB2 SER A 31 73.672 -22.432 10.179 1.00 63.32 H new ATOM 0 HB3 SER A 31 73.282 -21.558 11.647 1.00 63.32 H new ATOM 0 HG SER A 31 73.069 -20.234 9.755 1.00 43.35 H new ATOM 449 N GLY A 32 76.983 -20.891 12.892 1.00 61.43 N ATOM 450 CA GLY A 32 77.396 -20.022 13.978 1.00 31.05 C ATOM 451 C GLY A 32 78.891 -20.072 14.225 1.00 73.05 C ATOM 452 O GLY A 32 79.581 -20.954 13.715 1.00 53.44 O ATOM 0 H GLY A 32 77.738 -21.423 12.459 1.00 61.43 H new ATOM 0 HA2 GLY A 32 77.103 -18.997 13.751 1.00 31.05 H new ATOM 0 HA3 GLY A 32 76.871 -20.309 14.889 1.00 31.05 H new ATOM 456 N GLU A 33 79.391 -19.122 15.008 1.00 13.13 N ATOM 457 CA GLU A 33 80.815 -19.060 15.320 1.00 63.52 C ATOM 458 C GLU A 33 81.330 -20.422 15.779 1.00 44.32 C ATOM 459 O GLU A 33 82.522 -20.710 15.679 1.00 50.21 O ATOM 460 CB GLU A 33 81.079 -18.011 16.402 1.00 60.42 C ATOM 461 CG GLU A 33 80.516 -18.386 17.763 1.00 45.25 C ATOM 462 CD GLU A 33 80.803 -17.337 18.820 1.00 70.41 C ATOM 463 OE1 GLU A 33 81.917 -16.776 18.813 1.00 3.34 O ATOM 464 OE2 GLU A 33 79.910 -17.079 19.655 1.00 34.53 O ATOM 0 H GLU A 33 78.832 -18.385 15.438 1.00 13.13 H new ATOM 0 HA GLU A 33 81.348 -18.775 14.413 1.00 63.52 H new ATOM 0 HB2 GLU A 33 82.154 -17.857 16.493 1.00 60.42 H new ATOM 0 HB3 GLU A 33 80.647 -17.061 16.088 1.00 60.42 H new ATOM 0 HG2 GLU A 33 79.438 -18.528 17.680 1.00 45.25 H new ATOM 0 HG3 GLU A 33 80.940 -19.340 18.078 1.00 45.25 H new ATOM 471 N GLN A 34 80.423 -21.253 16.282 1.00 14.40 N ATOM 472 CA GLN A 34 80.786 -22.581 16.759 1.00 21.04 C ATOM 473 C GLN A 34 79.546 -23.376 17.155 1.00 55.32 C ATOM 474 O GLN A 34 79.068 -23.277 18.285 1.00 11.44 O ATOM 475 CB GLN A 34 81.741 -22.477 17.950 1.00 41.12 C ATOM 476 CG GLN A 34 83.096 -23.121 17.701 1.00 13.52 C ATOM 477 CD GLN A 34 84.209 -22.459 18.489 1.00 52.10 C ATOM 478 OE1 GLN A 34 84.055 -21.344 18.988 1.00 62.54 O ATOM 479 NE2 GLN A 34 85.340 -23.145 18.607 1.00 1.12 N ATOM 0 H GLN A 34 79.432 -21.030 16.370 1.00 14.40 H new ATOM 0 HA GLN A 34 81.287 -23.105 15.946 1.00 21.04 H new ATOM 0 HB2 GLN A 34 81.888 -21.425 18.197 1.00 41.12 H new ATOM 0 HB3 GLN A 34 81.279 -22.947 18.818 1.00 41.12 H new ATOM 0 HG2 GLN A 34 83.047 -24.177 17.966 1.00 13.52 H new ATOM 0 HG3 GLN A 34 83.329 -23.070 16.637 1.00 13.52 H new ATOM 0 HE21 GLN A 34 85.425 -24.066 18.177 1.00 1.12 H new ATOM 0 HE22 GLN A 34 86.124 -22.751 19.127 1.00 1.12 H new ATOM 488 N SER A 35 79.029 -24.162 16.217 1.00 72.43 N ATOM 489 CA SER A 35 77.841 -24.971 16.467 1.00 42.24 C ATOM 490 C SER A 35 77.912 -26.291 15.706 1.00 61.24 C ATOM 491 O SER A 35 78.733 -26.458 14.805 1.00 53.41 O ATOM 492 CB SER A 35 76.581 -24.203 16.062 1.00 41.51 C ATOM 493 OG SER A 35 76.129 -23.371 17.116 1.00 1.52 O ATOM 0 H SER A 35 79.413 -24.256 15.277 1.00 72.43 H new ATOM 0 HA SER A 35 77.798 -25.189 17.534 1.00 42.24 H new ATOM 0 HB2 SER A 35 76.789 -23.597 15.180 1.00 41.51 H new ATOM 0 HB3 SER A 35 75.795 -24.907 15.788 1.00 41.51 H new ATOM 0 HG SER A 35 76.878 -23.164 17.713 1.00 1.52 H new ATOM 499 N GLY A 36 77.045 -27.228 16.076 1.00 14.25 N ATOM 500 CA GLY A 36 77.025 -28.522 15.420 1.00 41.14 C ATOM 501 C GLY A 36 75.974 -29.450 15.997 1.00 55.21 C ATOM 502 O GLY A 36 76.258 -30.237 16.898 1.00 11.01 O ATOM 0 H GLY A 36 76.356 -27.114 16.819 1.00 14.25 H new ATOM 0 HA2 GLY A 36 76.837 -28.383 14.355 1.00 41.14 H new ATOM 0 HA3 GLY A 36 78.006 -28.988 15.512 1.00 41.14 H new ATOM 506 N ALA A 37 74.754 -29.355 15.476 1.00 15.42 N ATOM 507 CA ALA A 37 73.657 -30.192 15.946 1.00 51.15 C ATOM 508 C ALA A 37 73.331 -31.287 14.935 1.00 53.51 C ATOM 509 O ALA A 37 74.053 -31.477 13.957 1.00 44.11 O ATOM 510 CB ALA A 37 72.425 -29.342 16.221 1.00 44.22 C ATOM 0 H ALA A 37 74.501 -28.708 14.729 1.00 15.42 H new ATOM 0 HA ALA A 37 73.969 -30.671 16.874 1.00 51.15 H new ATOM 0 HB1 ALA A 37 71.614 -29.980 16.571 1.00 44.22 H new ATOM 0 HB2 ALA A 37 72.658 -28.600 16.984 1.00 44.22 H new ATOM 0 HB3 ALA A 37 72.120 -28.837 15.305 1.00 44.22 H new ATOM 516 N VAL A 38 72.240 -32.004 15.180 1.00 62.54 N ATOM 517 CA VAL A 38 71.818 -33.081 14.291 1.00 62.35 C ATOM 518 C VAL A 38 70.705 -32.619 13.358 1.00 73.21 C ATOM 519 O VAL A 38 69.652 -32.164 13.809 1.00 23.41 O ATOM 520 CB VAL A 38 71.332 -34.308 15.086 1.00 40.22 C ATOM 521 CG1 VAL A 38 70.882 -35.411 14.141 1.00 73.51 C ATOM 522 CG2 VAL A 38 72.426 -34.806 16.018 1.00 52.32 C ATOM 0 H VAL A 38 71.632 -31.859 15.986 1.00 62.54 H new ATOM 0 HA VAL A 38 72.689 -33.363 13.700 1.00 62.35 H new ATOM 0 HB VAL A 38 70.477 -34.011 15.693 1.00 40.22 H new ATOM 0 HG11 VAL A 38 70.542 -36.270 14.720 1.00 73.51 H new ATOM 0 HG12 VAL A 38 70.065 -35.046 13.519 1.00 73.51 H new ATOM 0 HG13 VAL A 38 71.716 -35.709 13.506 1.00 73.51 H new ATOM 0 HG21 VAL A 38 72.066 -35.673 16.572 1.00 52.32 H new ATOM 0 HG22 VAL A 38 73.302 -35.087 15.433 1.00 52.32 H new ATOM 0 HG23 VAL A 38 72.696 -34.015 16.718 1.00 52.32 H new ATOM 532 N ILE A 39 70.943 -32.740 12.056 1.00 75.03 N ATOM 533 CA ILE A 39 69.957 -32.336 11.060 1.00 44.11 C ATOM 534 C ILE A 39 69.853 -33.367 9.941 1.00 50.10 C ATOM 535 O ILE A 39 70.825 -34.052 9.622 1.00 54.40 O ATOM 536 CB ILE A 39 70.305 -30.965 10.448 1.00 11.44 C ATOM 537 CG1 ILE A 39 69.152 -30.464 9.576 1.00 22.42 C ATOM 538 CG2 ILE A 39 71.589 -31.057 9.637 1.00 55.31 C ATOM 539 CD1 ILE A 39 69.384 -30.664 8.095 1.00 41.33 C ATOM 0 H ILE A 39 71.808 -33.114 11.666 1.00 75.03 H new ATOM 0 HA ILE A 39 68.999 -32.263 11.575 1.00 44.11 H new ATOM 0 HB ILE A 39 70.460 -30.251 11.257 1.00 11.44 H new ATOM 0 HG12 ILE A 39 68.237 -30.981 9.865 1.00 22.42 H new ATOM 0 HG13 ILE A 39 68.994 -29.403 9.771 1.00 22.42 H new ATOM 0 HG21 ILE A 39 71.821 -30.081 9.211 1.00 55.31 H new ATOM 0 HG22 ILE A 39 72.406 -31.374 10.285 1.00 55.31 H new ATOM 0 HG23 ILE A 39 71.461 -31.782 8.833 1.00 55.31 H new ATOM 0 HD11 ILE A 39 68.527 -30.286 7.538 1.00 41.33 H new ATOM 0 HD12 ILE A 39 70.281 -30.124 7.791 1.00 41.33 H new ATOM 0 HD13 ILE A 39 69.512 -31.726 7.887 1.00 41.33 H new ATOM 551 N ARG A 40 68.668 -33.471 9.348 1.00 14.33 N ATOM 552 CA ARG A 40 68.436 -34.417 8.265 1.00 44.10 C ATOM 553 C ARG A 40 68.231 -33.688 6.941 1.00 62.44 C ATOM 554 O ARG A 40 67.099 -33.469 6.510 1.00 2.22 O ATOM 555 CB ARG A 40 67.218 -35.290 8.573 1.00 3.41 C ATOM 556 CG ARG A 40 67.461 -36.307 9.676 1.00 5.04 C ATOM 557 CD ARG A 40 67.876 -37.656 9.107 1.00 32.35 C ATOM 558 NE ARG A 40 68.543 -38.488 10.105 1.00 63.51 N ATOM 559 CZ ARG A 40 69.761 -38.239 10.574 1.00 14.31 C ATOM 560 NH1 ARG A 40 70.440 -37.186 10.140 1.00 60.32 N ATOM 561 NH2 ARG A 40 70.301 -39.043 11.481 1.00 50.20 N ATOM 0 H ARG A 40 67.854 -32.911 9.600 1.00 14.33 H new ATOM 0 HA ARG A 40 69.317 -35.053 8.177 1.00 44.10 H new ATOM 0 HB2 ARG A 40 66.385 -34.648 8.859 1.00 3.41 H new ATOM 0 HB3 ARG A 40 66.919 -35.815 7.666 1.00 3.41 H new ATOM 0 HG2 ARG A 40 68.237 -35.939 10.347 1.00 5.04 H new ATOM 0 HG3 ARG A 40 66.555 -36.424 10.270 1.00 5.04 H new ATOM 0 HD2 ARG A 40 66.996 -38.177 8.730 1.00 32.35 H new ATOM 0 HD3 ARG A 40 68.543 -37.502 8.259 1.00 32.35 H new ATOM 0 HE ARG A 40 68.047 -39.305 10.461 1.00 63.51 H new ATOM 0 HH11 ARG A 40 70.027 -36.565 9.444 1.00 60.32 H new ATOM 0 HH12 ARG A 40 71.375 -36.997 10.502 1.00 60.32 H new ATOM 0 HH21 ARG A 40 69.781 -39.853 11.819 1.00 50.20 H new ATOM 0 HH22 ARG A 40 71.236 -38.851 11.840 1.00 50.20 H new ATOM 575 N GLY A 41 69.333 -33.314 6.299 1.00 25.23 N ATOM 576 CA GLY A 41 69.252 -32.613 5.031 1.00 60.22 C ATOM 577 C GLY A 41 70.327 -33.052 4.056 1.00 72.15 C ATOM 578 O GLY A 41 71.459 -33.328 4.452 1.00 42.43 O ATOM 0 H GLY A 41 70.281 -33.484 6.635 1.00 25.23 H new ATOM 0 HA2 GLY A 41 68.271 -32.784 4.587 1.00 60.22 H new ATOM 0 HA3 GLY A 41 69.340 -31.541 5.206 1.00 60.22 H new ATOM 582 N VAL A 42 69.971 -33.121 2.777 1.00 42.51 N ATOM 583 CA VAL A 42 70.913 -33.531 1.742 1.00 53.54 C ATOM 584 C VAL A 42 70.961 -32.512 0.609 1.00 64.31 C ATOM 585 O VAL A 42 69.939 -31.940 0.229 1.00 13.03 O ATOM 586 CB VAL A 42 70.547 -34.909 1.164 1.00 71.41 C ATOM 587 CG1 VAL A 42 69.253 -34.828 0.367 1.00 54.04 C ATOM 588 CG2 VAL A 42 71.680 -35.444 0.302 1.00 63.24 C ATOM 0 H VAL A 42 69.037 -32.898 2.433 1.00 42.51 H new ATOM 0 HA VAL A 42 71.894 -33.593 2.213 1.00 53.54 H new ATOM 0 HB VAL A 42 70.393 -35.601 1.992 1.00 71.41 H new ATOM 0 HG11 VAL A 42 69.010 -35.812 -0.034 1.00 54.04 H new ATOM 0 HG12 VAL A 42 68.445 -34.492 1.017 1.00 54.04 H new ATOM 0 HG13 VAL A 42 69.375 -34.122 -0.454 1.00 54.04 H new ATOM 0 HG21 VAL A 42 71.403 -36.419 -0.098 1.00 63.24 H new ATOM 0 HG22 VAL A 42 71.868 -34.754 -0.521 1.00 63.24 H new ATOM 0 HG23 VAL A 42 72.582 -35.542 0.906 1.00 63.24 H new ATOM 598 N PHE A 43 72.156 -32.290 0.069 1.00 31.31 N ATOM 599 CA PHE A 43 72.337 -31.341 -1.023 1.00 14.45 C ATOM 600 C PHE A 43 72.173 -32.028 -2.375 1.00 21.14 C ATOM 601 O PHE A 43 72.704 -33.116 -2.598 1.00 25.50 O ATOM 602 CB PHE A 43 73.718 -30.688 -0.934 1.00 14.24 C ATOM 603 CG PHE A 43 74.794 -31.462 -1.641 1.00 15.42 C ATOM 604 CD1 PHE A 43 75.181 -32.711 -1.186 1.00 33.44 C ATOM 605 CD2 PHE A 43 75.418 -30.939 -2.762 1.00 51.15 C ATOM 606 CE1 PHE A 43 76.171 -33.425 -1.834 1.00 55.52 C ATOM 607 CE2 PHE A 43 76.408 -31.648 -3.415 1.00 54.24 C ATOM 608 CZ PHE A 43 76.784 -32.892 -2.951 1.00 24.01 C ATOM 0 H PHE A 43 73.013 -32.755 0.370 1.00 31.31 H new ATOM 0 HA PHE A 43 71.571 -30.571 -0.933 1.00 14.45 H new ATOM 0 HB2 PHE A 43 73.665 -29.685 -1.358 1.00 14.24 H new ATOM 0 HB3 PHE A 43 73.991 -30.577 0.115 1.00 14.24 H new ATOM 0 HD1 PHE A 43 74.703 -33.133 -0.314 1.00 33.44 H new ATOM 0 HD2 PHE A 43 75.127 -29.966 -3.130 1.00 51.15 H new ATOM 0 HE1 PHE A 43 76.465 -34.398 -1.468 1.00 55.52 H new ATOM 0 HE2 PHE A 43 76.887 -31.229 -4.288 1.00 54.24 H new ATOM 0 HZ PHE A 43 77.557 -33.448 -3.461 1.00 24.01 H new ATOM 618 N ASP A 44 71.435 -31.385 -3.272 1.00 62.13 N ATOM 619 CA ASP A 44 71.201 -31.933 -4.603 1.00 72.33 C ATOM 620 C ASP A 44 71.724 -30.987 -5.680 1.00 70.55 C ATOM 621 O ASP A 44 71.356 -29.813 -5.720 1.00 43.04 O ATOM 622 CB ASP A 44 69.708 -32.193 -4.816 1.00 5.42 C ATOM 623 CG ASP A 44 69.438 -33.037 -6.046 1.00 74.01 C ATOM 624 OD1 ASP A 44 69.922 -32.668 -7.136 1.00 34.11 O ATOM 625 OD2 ASP A 44 68.740 -34.066 -5.918 1.00 53.43 O ATOM 0 H ASP A 44 70.988 -30.484 -3.102 1.00 62.13 H new ATOM 0 HA ASP A 44 71.741 -32.877 -4.680 1.00 72.33 H new ATOM 0 HB2 ASP A 44 69.300 -32.694 -3.938 1.00 5.42 H new ATOM 0 HB3 ASP A 44 69.186 -31.241 -4.910 1.00 5.42 H new ATOM 630 N ASP A 45 72.583 -31.506 -6.550 1.00 23.21 N ATOM 631 CA ASP A 45 73.156 -30.708 -7.627 1.00 24.24 C ATOM 632 C ASP A 45 72.456 -31.000 -8.951 1.00 70.01 C ATOM 633 O ASP A 45 71.906 -32.079 -9.166 1.00 25.50 O ATOM 634 CB ASP A 45 74.655 -30.990 -7.757 1.00 13.22 C ATOM 635 CG ASP A 45 75.503 -29.794 -7.372 1.00 12.41 C ATOM 636 OD1 ASP A 45 75.325 -29.277 -6.249 1.00 12.44 O ATOM 637 OD2 ASP A 45 76.344 -29.372 -8.194 1.00 24.41 O ATOM 0 H ASP A 45 72.898 -32.476 -6.530 1.00 23.21 H new ATOM 0 HA ASP A 45 73.011 -29.656 -7.383 1.00 24.24 H new ATOM 0 HB2 ASP A 45 74.919 -31.838 -7.125 1.00 13.22 H new ATOM 0 HB3 ASP A 45 74.880 -31.276 -8.784 1.00 13.22 H new ATOM 877 N PRO A 63 73.108 -26.113 -4.602 1.00 61.34 N ATOM 878 CA PRO A 63 72.322 -27.350 -4.581 1.00 33.44 C ATOM 879 C PRO A 63 71.002 -27.186 -3.832 1.00 44.23 C ATOM 880 O PRO A 63 70.695 -26.106 -3.327 1.00 22.31 O ATOM 881 CB PRO A 63 73.233 -28.338 -3.847 1.00 53.05 C ATOM 882 CG PRO A 63 74.110 -27.484 -2.999 1.00 1.24 C ATOM 883 CD PRO A 63 74.317 -26.209 -3.768 1.00 1.40 C ATOM 0 HA PRO A 63 72.042 -27.671 -5.584 1.00 33.44 H new ATOM 0 HB2 PRO A 63 72.654 -29.036 -3.242 1.00 53.05 H new ATOM 0 HB3 PRO A 63 73.818 -28.933 -4.548 1.00 53.05 H new ATOM 0 HG2 PRO A 63 73.645 -27.286 -2.033 1.00 1.24 H new ATOM 0 HG3 PRO A 63 75.061 -27.978 -2.800 1.00 1.24 H new ATOM 0 HD2 PRO A 63 74.416 -25.351 -3.104 1.00 1.40 H new ATOM 0 HD3 PRO A 63 75.222 -26.248 -4.375 1.00 1.40 H new ATOM 891 N SER A 64 70.227 -28.263 -3.766 1.00 63.05 N ATOM 892 CA SER A 64 68.939 -28.237 -3.083 1.00 33.14 C ATOM 893 C SER A 64 68.985 -29.072 -1.807 1.00 2.24 C ATOM 894 O SER A 64 69.648 -30.108 -1.752 1.00 32.32 O ATOM 895 CB SER A 64 67.837 -28.758 -4.007 1.00 52.21 C ATOM 896 OG SER A 64 66.590 -28.155 -3.703 1.00 23.31 O ATOM 0 H SER A 64 70.468 -29.165 -4.177 1.00 63.05 H new ATOM 0 HA SER A 64 68.719 -27.204 -2.814 1.00 33.14 H new ATOM 0 HB2 SER A 64 68.101 -28.553 -5.045 1.00 52.21 H new ATOM 0 HB3 SER A 64 67.755 -29.840 -3.907 1.00 52.21 H new ATOM 0 HG SER A 64 65.902 -28.503 -4.308 1.00 23.31 H new ATOM 902 N LEU A 65 68.276 -28.613 -0.781 1.00 14.20 N ATOM 903 CA LEU A 65 68.235 -29.315 0.497 1.00 51.33 C ATOM 904 C LEU A 65 66.841 -29.873 0.766 1.00 55.21 C ATOM 905 O LEU A 65 65.857 -29.132 0.780 1.00 72.45 O ATOM 906 CB LEU A 65 68.649 -28.376 1.631 1.00 23.32 C ATOM 907 CG LEU A 65 67.909 -28.557 2.956 1.00 22.54 C ATOM 908 CD1 LEU A 65 68.848 -28.317 4.129 1.00 22.32 C ATOM 909 CD2 LEU A 65 66.711 -27.623 3.030 1.00 31.23 C ATOM 0 H LEU A 65 67.722 -27.757 -0.810 1.00 14.20 H new ATOM 0 HA LEU A 65 68.937 -30.148 0.449 1.00 51.33 H new ATOM 0 HB2 LEU A 65 69.716 -28.507 1.813 1.00 23.32 H new ATOM 0 HB3 LEU A 65 68.506 -27.349 1.296 1.00 23.32 H new ATOM 0 HG LEU A 65 67.547 -29.584 3.011 1.00 22.54 H new ATOM 0 HD11 LEU A 65 68.304 -28.450 5.064 1.00 22.32 H new ATOM 0 HD12 LEU A 65 69.674 -29.027 4.085 1.00 22.32 H new ATOM 0 HD13 LEU A 65 69.240 -27.301 4.079 1.00 22.32 H new ATOM 0 HD21 LEU A 65 66.196 -27.766 3.980 1.00 31.23 H new ATOM 0 HD22 LEU A 65 67.050 -26.590 2.953 1.00 31.23 H new ATOM 0 HD23 LEU A 65 66.027 -27.843 2.210 1.00 31.23 H new ATOM 921 N PHE A 66 66.764 -31.181 0.983 1.00 32.22 N ATOM 922 CA PHE A 66 65.491 -31.837 1.255 1.00 71.43 C ATOM 923 C PHE A 66 65.343 -32.147 2.742 1.00 43.41 C ATOM 924 O PHE A 66 66.038 -33.009 3.279 1.00 31.33 O ATOM 925 CB PHE A 66 65.374 -33.128 0.440 1.00 12.03 C ATOM 926 CG PHE A 66 63.957 -33.588 0.246 1.00 25.14 C ATOM 927 CD1 PHE A 66 63.220 -33.162 -0.846 1.00 21.23 C ATOM 928 CD2 PHE A 66 63.363 -34.448 1.158 1.00 44.25 C ATOM 929 CE1 PHE A 66 61.917 -33.585 -1.028 1.00 73.22 C ATOM 930 CE2 PHE A 66 62.060 -34.873 0.981 1.00 43.30 C ATOM 931 CZ PHE A 66 61.335 -34.441 -0.112 1.00 42.54 C ATOM 0 H PHE A 66 67.568 -31.808 0.976 1.00 32.22 H new ATOM 0 HA PHE A 66 64.692 -31.156 0.963 1.00 71.43 H new ATOM 0 HB2 PHE A 66 65.835 -32.975 -0.536 1.00 12.03 H new ATOM 0 HB3 PHE A 66 65.938 -33.916 0.939 1.00 12.03 H new ATOM 0 HD1 PHE A 66 63.669 -32.491 -1.564 1.00 21.23 H new ATOM 0 HD2 PHE A 66 63.925 -34.789 2.015 1.00 44.25 H new ATOM 0 HE1 PHE A 66 61.354 -33.247 -1.885 1.00 73.22 H new ATOM 0 HE2 PHE A 66 61.609 -35.543 1.698 1.00 43.30 H new ATOM 0 HZ PHE A 66 60.316 -34.771 -0.251 1.00 42.54 H new ATOM 941 N VAL A 67 64.434 -31.435 3.401 1.00 64.00 N ATOM 942 CA VAL A 67 64.195 -31.632 4.826 1.00 25.10 C ATOM 943 C VAL A 67 62.709 -31.532 5.152 1.00 22.00 C ATOM 944 O VAL A 67 61.900 -31.168 4.300 1.00 52.13 O ATOM 945 CB VAL A 67 64.966 -30.603 5.673 1.00 43.43 C ATOM 946 CG1 VAL A 67 66.466 -30.779 5.491 1.00 2.41 C ATOM 947 CG2 VAL A 67 64.540 -29.188 5.310 1.00 62.24 C ATOM 0 H VAL A 67 63.851 -30.717 2.971 1.00 64.00 H new ATOM 0 HA VAL A 67 64.552 -32.632 5.071 1.00 25.10 H new ATOM 0 HB VAL A 67 64.729 -30.772 6.723 1.00 43.43 H new ATOM 0 HG11 VAL A 67 66.995 -30.043 6.097 1.00 2.41 H new ATOM 0 HG12 VAL A 67 66.755 -31.782 5.804 1.00 2.41 H new ATOM 0 HG13 VAL A 67 66.724 -30.638 4.442 1.00 2.41 H new ATOM 0 HG21 VAL A 67 65.095 -28.474 5.918 1.00 62.24 H new ATOM 0 HG22 VAL A 67 64.747 -29.005 4.256 1.00 62.24 H new ATOM 0 HG23 VAL A 67 63.472 -29.070 5.496 1.00 62.24 H new ATOM 957 N ARG A 68 62.359 -31.856 6.392 1.00 34.10 N ATOM 958 CA ARG A 68 60.970 -31.803 6.833 1.00 63.33 C ATOM 959 C ARG A 68 60.728 -30.588 7.723 1.00 31.23 C ATOM 960 O ARG A 68 61.581 -30.215 8.529 1.00 71.30 O ATOM 961 CB ARG A 68 60.601 -33.082 7.586 1.00 3.45 C ATOM 962 CG ARG A 68 59.712 -32.843 8.795 1.00 63.14 C ATOM 963 CD ARG A 68 59.021 -34.122 9.240 1.00 5.13 C ATOM 964 NE ARG A 68 57.661 -34.221 8.716 1.00 34.24 N ATOM 965 CZ ARG A 68 56.638 -33.521 9.193 1.00 33.33 C ATOM 966 NH1 ARG A 68 56.820 -32.676 10.199 1.00 71.22 N ATOM 967 NH2 ARG A 68 55.429 -33.666 8.665 1.00 44.45 N ATOM 0 H ARG A 68 63.018 -32.158 7.110 1.00 34.10 H new ATOM 0 HA ARG A 68 60.338 -31.716 5.949 1.00 63.33 H new ATOM 0 HB2 ARG A 68 60.094 -33.763 6.902 1.00 3.45 H new ATOM 0 HB3 ARG A 68 61.515 -33.579 7.911 1.00 3.45 H new ATOM 0 HG2 ARG A 68 60.311 -32.447 9.615 1.00 63.14 H new ATOM 0 HG3 ARG A 68 58.963 -32.089 8.554 1.00 63.14 H new ATOM 0 HD2 ARG A 68 59.601 -34.982 8.907 1.00 5.13 H new ATOM 0 HD3 ARG A 68 58.993 -34.159 10.329 1.00 5.13 H new ATOM 0 HE ARG A 68 57.488 -34.862 7.942 1.00 34.24 H new ATOM 0 HH11 ARG A 68 57.747 -32.562 10.608 1.00 71.22 H new ATOM 0 HH12 ARG A 68 56.033 -32.140 10.563 1.00 71.22 H new ATOM 0 HH21 ARG A 68 55.285 -34.316 7.892 1.00 44.45 H new ATOM 0 HH22 ARG A 68 54.644 -33.128 9.032 1.00 44.45 H new ATOM 981 N THR A 69 59.559 -29.973 7.571 1.00 13.34 N ATOM 982 CA THR A 69 59.205 -28.799 8.359 1.00 32.01 C ATOM 983 C THR A 69 59.751 -28.905 9.779 1.00 34.11 C ATOM 984 O THR A 69 60.667 -28.175 10.157 1.00 32.25 O ATOM 985 CB THR A 69 57.677 -28.604 8.422 1.00 2.34 C ATOM 986 OG1 THR A 69 57.309 -28.023 9.678 1.00 42.41 O ATOM 987 CG2 THR A 69 56.956 -29.930 8.240 1.00 34.54 C ATOM 0 H THR A 69 58.841 -30.269 6.909 1.00 13.34 H new ATOM 0 HA THR A 69 59.654 -27.938 7.863 1.00 32.01 H new ATOM 0 HB THR A 69 57.384 -27.935 7.613 1.00 2.34 H new ATOM 0 HG1 THR A 69 56.337 -27.901 9.710 1.00 42.41 H new ATOM 0 HG21 THR A 69 55.879 -29.768 8.288 1.00 34.54 H new ATOM 0 HG22 THR A 69 57.216 -30.356 7.271 1.00 34.54 H new ATOM 0 HG23 THR A 69 57.255 -30.618 9.031 1.00 34.54 H new ATOM 995 N ASP A 70 59.183 -29.819 10.559 1.00 53.41 N ATOM 996 CA ASP A 70 59.615 -30.021 11.937 1.00 34.41 C ATOM 997 C ASP A 70 61.137 -30.029 12.035 1.00 70.33 C ATOM 998 O ASP A 70 61.719 -29.328 12.861 1.00 11.43 O ATOM 999 CB ASP A 70 59.049 -31.334 12.484 1.00 2.40 C ATOM 1000 CG ASP A 70 59.231 -31.462 13.983 1.00 32.41 C ATOM 1001 OD1 ASP A 70 58.651 -30.640 14.723 1.00 41.53 O ATOM 1002 OD2 ASP A 70 59.953 -32.384 14.417 1.00 73.21 O ATOM 0 H ASP A 70 58.423 -30.431 10.261 1.00 53.41 H new ATOM 0 HA ASP A 70 59.235 -29.193 12.535 1.00 34.41 H new ATOM 0 HB2 ASP A 70 57.988 -31.397 12.243 1.00 2.40 H new ATOM 0 HB3 ASP A 70 59.539 -32.172 11.988 1.00 2.40 H new ATOM 1007 N GLU A 71 61.776 -30.828 11.185 1.00 54.13 N ATOM 1008 CA GLU A 71 63.229 -30.927 11.177 1.00 4.23 C ATOM 1009 C GLU A 71 63.869 -29.554 10.996 1.00 52.22 C ATOM 1010 O GLU A 71 64.870 -29.233 11.636 1.00 11.34 O ATOM 1011 CB GLU A 71 63.693 -31.868 10.063 1.00 43.22 C ATOM 1012 CG GLU A 71 65.155 -32.269 10.172 1.00 33.32 C ATOM 1013 CD GLU A 71 65.573 -32.563 11.599 1.00 13.45 C ATOM 1014 OE1 GLU A 71 65.123 -33.588 12.151 1.00 11.12 O ATOM 1015 OE2 GLU A 71 66.352 -31.767 12.164 1.00 34.01 O ATOM 0 H GLU A 71 61.309 -31.415 10.494 1.00 54.13 H new ATOM 0 HA GLU A 71 63.544 -31.331 12.139 1.00 4.23 H new ATOM 0 HB2 GLU A 71 63.077 -32.767 10.078 1.00 43.22 H new ATOM 0 HB3 GLU A 71 63.529 -31.385 9.100 1.00 43.22 H new ATOM 0 HG2 GLU A 71 65.333 -33.150 9.556 1.00 33.32 H new ATOM 0 HG3 GLU A 71 65.778 -31.469 9.772 1.00 33.32 H new ATOM 1022 N VAL A 72 63.282 -28.745 10.118 1.00 64.43 N ATOM 1023 CA VAL A 72 63.793 -27.406 9.851 1.00 31.21 C ATOM 1024 C VAL A 72 62.972 -26.350 10.584 1.00 44.03 C ATOM 1025 O VAL A 72 63.041 -25.164 10.263 1.00 43.41 O ATOM 1026 CB VAL A 72 63.785 -27.092 8.344 1.00 71.41 C ATOM 1027 CG1 VAL A 72 62.369 -26.811 7.864 1.00 10.43 C ATOM 1028 CG2 VAL A 72 64.702 -25.918 8.040 1.00 45.33 C ATOM 0 H VAL A 72 62.452 -28.994 9.580 1.00 64.43 H new ATOM 0 HA VAL A 72 64.821 -27.381 10.213 1.00 31.21 H new ATOM 0 HB VAL A 72 64.158 -27.964 7.807 1.00 71.41 H new ATOM 0 HG11 VAL A 72 62.384 -26.591 6.797 1.00 10.43 H new ATOM 0 HG12 VAL A 72 61.743 -27.685 8.046 1.00 10.43 H new ATOM 0 HG13 VAL A 72 61.964 -25.956 8.405 1.00 10.43 H new ATOM 0 HG21 VAL A 72 64.684 -25.710 6.970 1.00 45.33 H new ATOM 0 HG22 VAL A 72 64.361 -25.039 8.586 1.00 45.33 H new ATOM 0 HG23 VAL A 72 65.719 -26.163 8.345 1.00 45.33 H new ATOM 1038 N ARG A 73 62.197 -26.790 11.570 1.00 72.24 N ATOM 1039 CA ARG A 73 61.362 -25.883 12.348 1.00 51.40 C ATOM 1040 C ARG A 73 61.978 -25.618 13.719 1.00 10.23 C ATOM 1041 O ARG A 73 61.826 -24.533 14.280 1.00 64.35 O ATOM 1042 CB ARG A 73 59.956 -26.462 12.511 1.00 4.53 C ATOM 1043 CG ARG A 73 58.993 -25.530 13.227 1.00 53.34 C ATOM 1044 CD ARG A 73 58.919 -25.839 14.714 1.00 3.45 C ATOM 1045 NE ARG A 73 57.567 -25.679 15.241 1.00 61.13 N ATOM 1046 CZ ARG A 73 57.210 -26.037 16.469 1.00 14.11 C ATOM 1047 NH1 ARG A 73 58.099 -26.571 17.293 1.00 5.41 N ATOM 1048 NH2 ARG A 73 55.959 -25.860 16.875 1.00 11.50 N ATOM 0 H ARG A 73 62.130 -27.769 11.849 1.00 72.24 H new ATOM 0 HA ARG A 73 61.297 -24.938 11.809 1.00 51.40 H new ATOM 0 HB2 ARG A 73 59.554 -26.700 11.526 1.00 4.53 H new ATOM 0 HB3 ARG A 73 60.020 -27.399 13.064 1.00 4.53 H new ATOM 0 HG2 ARG A 73 59.311 -24.497 13.084 1.00 53.34 H new ATOM 0 HG3 ARG A 73 58.001 -25.622 12.786 1.00 53.34 H new ATOM 0 HD2 ARG A 73 59.257 -26.860 14.889 1.00 3.45 H new ATOM 0 HD3 ARG A 73 59.599 -25.181 15.255 1.00 3.45 H new ATOM 0 HE ARG A 73 56.858 -25.270 14.633 1.00 61.13 H new ATOM 0 HH11 ARG A 73 59.062 -26.709 16.985 1.00 5.41 H new ATOM 0 HH12 ARG A 73 57.821 -26.845 18.235 1.00 5.41 H new ATOM 0 HH21 ARG A 73 55.271 -25.449 16.244 1.00 11.50 H new ATOM 0 HH22 ARG A 73 55.685 -26.135 17.818 1.00 11.50 H new ATOM 1062 N GLN A 74 62.672 -26.619 14.253 1.00 2.20 N ATOM 1063 CA GLN A 74 63.309 -26.494 15.558 1.00 31.11 C ATOM 1064 C GLN A 74 64.406 -25.435 15.531 1.00 75.32 C ATOM 1065 O GLN A 74 64.765 -24.871 16.565 1.00 10.12 O ATOM 1066 CB GLN A 74 63.893 -27.840 15.994 1.00 41.54 C ATOM 1067 CG GLN A 74 62.879 -28.759 16.654 1.00 55.35 C ATOM 1068 CD GLN A 74 63.306 -29.201 18.039 1.00 23.40 C ATOM 1069 OE1 GLN A 74 62.579 -29.015 19.015 1.00 71.43 O ATOM 1070 NE2 GLN A 74 64.491 -29.792 18.133 1.00 65.44 N ATOM 0 H GLN A 74 62.807 -27.524 13.802 1.00 2.20 H new ATOM 0 HA GLN A 74 62.550 -26.184 16.276 1.00 31.11 H new ATOM 0 HB2 GLN A 74 64.314 -28.343 15.123 1.00 41.54 H new ATOM 0 HB3 GLN A 74 64.715 -27.662 16.688 1.00 41.54 H new ATOM 0 HG2 GLN A 74 61.919 -28.247 16.720 1.00 55.35 H new ATOM 0 HG3 GLN A 74 62.729 -29.638 16.027 1.00 55.35 H new ATOM 0 HE21 GLN A 74 65.062 -29.926 17.298 1.00 65.44 H new ATOM 0 HE22 GLN A 74 64.831 -30.112 19.040 1.00 65.44 H new ATOM 1079 N LEU A 75 64.934 -25.169 14.341 1.00 14.00 N ATOM 1080 CA LEU A 75 65.991 -24.176 14.178 1.00 54.12 C ATOM 1081 C LEU A 75 65.439 -22.888 13.575 1.00 11.12 C ATOM 1082 O LEU A 75 64.238 -22.769 13.331 1.00 14.54 O ATOM 1083 CB LEU A 75 67.107 -24.731 13.291 1.00 34.44 C ATOM 1084 CG LEU A 75 66.662 -25.380 11.980 1.00 15.22 C ATOM 1085 CD1 LEU A 75 66.240 -26.822 12.214 1.00 53.14 C ATOM 1086 CD2 LEU A 75 65.527 -24.585 11.351 1.00 22.11 C ATOM 0 H LEU A 75 64.648 -25.627 13.475 1.00 14.00 H new ATOM 0 HA LEU A 75 66.398 -23.949 15.163 1.00 54.12 H new ATOM 0 HB2 LEU A 75 67.795 -23.919 13.056 1.00 34.44 H new ATOM 0 HB3 LEU A 75 67.668 -25.468 13.866 1.00 34.44 H new ATOM 0 HG LEU A 75 67.506 -25.378 11.291 1.00 15.22 H new ATOM 0 HD11 LEU A 75 65.927 -27.267 11.270 1.00 53.14 H new ATOM 0 HD12 LEU A 75 67.080 -27.386 12.620 1.00 53.14 H new ATOM 0 HD13 LEU A 75 65.410 -26.848 12.920 1.00 53.14 H new ATOM 0 HD21 LEU A 75 65.223 -25.061 10.419 1.00 22.11 H new ATOM 0 HD22 LEU A 75 64.680 -24.555 12.037 1.00 22.11 H new ATOM 0 HD23 LEU A 75 65.864 -23.569 11.146 1.00 22.11 H new ATOM 1098 N ARG A 76 66.325 -21.927 13.334 1.00 11.42 N ATOM 1099 CA ARG A 76 65.928 -20.648 12.759 1.00 21.03 C ATOM 1100 C ARG A 76 66.163 -20.634 11.251 1.00 40.54 C ATOM 1101 O ARG A 76 67.108 -21.248 10.755 1.00 61.13 O ATOM 1102 CB ARG A 76 66.703 -19.505 13.418 1.00 42.13 C ATOM 1103 CG ARG A 76 66.878 -18.291 12.520 1.00 75.42 C ATOM 1104 CD ARG A 76 67.470 -17.116 13.281 1.00 2.22 C ATOM 1105 NE ARG A 76 67.724 -15.971 12.411 1.00 12.22 N ATOM 1106 CZ ARG A 76 68.353 -14.871 12.808 1.00 2.23 C ATOM 1107 NH1 ARG A 76 68.791 -14.767 14.056 1.00 72.43 N ATOM 1108 NH2 ARG A 76 68.546 -13.871 11.957 1.00 32.43 N ATOM 0 H ARG A 76 67.323 -22.010 13.528 1.00 11.42 H new ATOM 0 HA ARG A 76 64.863 -20.509 12.945 1.00 21.03 H new ATOM 0 HB2 ARG A 76 66.184 -19.202 14.327 1.00 42.13 H new ATOM 0 HB3 ARG A 76 67.686 -19.869 13.718 1.00 42.13 H new ATOM 0 HG2 ARG A 76 67.527 -18.547 11.682 1.00 75.42 H new ATOM 0 HG3 ARG A 76 65.913 -18.005 12.100 1.00 75.42 H new ATOM 0 HD2 ARG A 76 66.788 -16.821 14.079 1.00 2.22 H new ATOM 0 HD3 ARG A 76 68.402 -17.424 13.756 1.00 2.22 H new ATOM 0 HE ARG A 76 67.400 -16.019 11.445 1.00 12.22 H new ATOM 0 HH11 ARG A 76 68.645 -15.533 14.713 1.00 72.43 H new ATOM 0 HH12 ARG A 76 69.274 -13.921 14.358 1.00 72.43 H new ATOM 0 HH21 ARG A 76 68.211 -13.947 10.997 1.00 32.43 H new ATOM 0 HH22 ARG A 76 69.029 -13.027 12.263 1.00 32.43 H new ATOM 1122 N ARG A 77 65.298 -19.930 10.529 1.00 21.13 N ATOM 1123 CA ARG A 77 65.411 -19.838 9.078 1.00 44.11 C ATOM 1124 C ARG A 77 66.817 -19.411 8.669 1.00 42.34 C ATOM 1125 O ARG A 77 67.531 -18.767 9.437 1.00 51.13 O ATOM 1126 CB ARG A 77 64.385 -18.845 8.528 1.00 70.23 C ATOM 1127 CG ARG A 77 64.581 -17.424 9.029 1.00 3.31 C ATOM 1128 CD ARG A 77 63.298 -16.616 8.930 1.00 72.23 C ATOM 1129 NE ARG A 77 63.136 -16.004 7.613 1.00 2.12 N ATOM 1130 CZ ARG A 77 63.815 -14.936 7.211 1.00 4.31 C ATOM 1131 NH1 ARG A 77 64.699 -14.364 8.018 1.00 30.40 N ATOM 1132 NH2 ARG A 77 63.613 -14.438 5.997 1.00 5.54 N ATOM 0 H ARG A 77 64.511 -19.415 10.925 1.00 21.13 H new ATOM 0 HA ARG A 77 65.213 -20.825 8.659 1.00 44.11 H new ATOM 0 HB2 ARG A 77 64.438 -18.847 7.439 1.00 70.23 H new ATOM 0 HB3 ARG A 77 63.385 -19.182 8.800 1.00 70.23 H new ATOM 0 HG2 ARG A 77 64.919 -17.446 10.065 1.00 3.31 H new ATOM 0 HG3 ARG A 77 65.364 -16.937 8.448 1.00 3.31 H new ATOM 0 HD2 ARG A 77 62.445 -17.263 9.136 1.00 72.23 H new ATOM 0 HD3 ARG A 77 63.300 -15.838 9.693 1.00 72.23 H new ATOM 0 HE ARG A 77 62.465 -16.420 6.967 1.00 2.12 H new ATOM 0 HH11 ARG A 77 64.859 -14.744 8.951 1.00 30.40 H new ATOM 0 HH12 ARG A 77 65.219 -13.544 7.706 1.00 30.40 H new ATOM 0 HH21 ARG A 77 62.936 -14.876 5.372 1.00 5.54 H new ATOM 0 HH22 ARG A 77 64.135 -13.618 5.689 1.00 5.54 H new ATOM 1146 N GLY A 78 67.210 -19.775 7.451 1.00 0.55 N ATOM 1147 CA GLY A 78 68.530 -19.422 6.961 1.00 31.02 C ATOM 1148 C GLY A 78 69.630 -20.223 7.627 1.00 32.43 C ATOM 1149 O GLY A 78 70.796 -19.832 7.599 1.00 11.42 O ATOM 0 H GLY A 78 66.638 -20.308 6.796 1.00 0.55 H new ATOM 0 HA2 GLY A 78 68.569 -19.583 5.884 1.00 31.02 H new ATOM 0 HA3 GLY A 78 68.705 -18.360 7.131 1.00 31.02 H new ATOM 1153 N ASP A 79 69.258 -21.348 8.229 1.00 45.33 N ATOM 1154 CA ASP A 79 70.222 -22.207 8.907 1.00 63.03 C ATOM 1155 C ASP A 79 71.032 -23.016 7.897 1.00 2.25 C ATOM 1156 O ASP A 79 70.489 -23.858 7.181 1.00 3.34 O ATOM 1157 CB ASP A 79 69.505 -23.149 9.875 1.00 11.45 C ATOM 1158 CG ASP A 79 70.465 -24.067 10.607 1.00 32.11 C ATOM 1159 OD1 ASP A 79 71.691 -23.895 10.444 1.00 21.00 O ATOM 1160 OD2 ASP A 79 69.990 -24.958 11.343 1.00 62.13 O ATOM 0 H ASP A 79 68.296 -21.686 8.261 1.00 45.33 H new ATOM 0 HA ASP A 79 70.906 -21.572 9.470 1.00 63.03 H new ATOM 0 HB2 ASP A 79 68.944 -22.561 10.601 1.00 11.45 H new ATOM 0 HB3 ASP A 79 68.781 -23.750 9.324 1.00 11.45 H new ATOM 1165 N THR A 80 72.334 -22.754 7.846 1.00 0.44 N ATOM 1166 CA THR A 80 73.220 -23.455 6.925 1.00 71.45 C ATOM 1167 C THR A 80 73.758 -24.738 7.547 1.00 11.21 C ATOM 1168 O THR A 80 74.583 -24.698 8.461 1.00 51.04 O ATOM 1169 CB THR A 80 74.405 -22.568 6.499 1.00 75.25 C ATOM 1170 OG1 THR A 80 75.512 -23.385 6.104 1.00 74.33 O ATOM 1171 CG2 THR A 80 74.826 -21.647 7.633 1.00 51.21 C ATOM 0 H THR A 80 72.799 -22.061 8.432 1.00 0.44 H new ATOM 0 HA THR A 80 72.627 -23.703 6.045 1.00 71.45 H new ATOM 0 HB THR A 80 74.087 -21.956 5.655 1.00 75.25 H new ATOM 0 HG1 THR A 80 76.347 -22.890 6.235 1.00 74.33 H new ATOM 0 HG21 THR A 80 75.664 -21.030 7.309 1.00 51.21 H new ATOM 0 HG22 THR A 80 73.990 -21.006 7.910 1.00 51.21 H new ATOM 0 HG23 THR A 80 75.126 -22.244 8.494 1.00 51.21 H new ATOM 1179 N LEU A 81 73.287 -25.875 7.048 1.00 62.40 N ATOM 1180 CA LEU A 81 73.723 -27.172 7.555 1.00 21.11 C ATOM 1181 C LEU A 81 74.826 -27.757 6.679 1.00 12.03 C ATOM 1182 O LEU A 81 74.730 -27.747 5.451 1.00 32.04 O ATOM 1183 CB LEU A 81 72.540 -28.139 7.620 1.00 23.44 C ATOM 1184 CG LEU A 81 71.499 -28.002 6.508 1.00 32.33 C ATOM 1185 CD1 LEU A 81 70.638 -26.768 6.733 1.00 63.42 C ATOM 1186 CD2 LEU A 81 72.176 -27.943 5.148 1.00 43.31 C ATOM 0 H LEU A 81 72.603 -25.926 6.293 1.00 62.40 H new ATOM 0 HA LEU A 81 74.122 -27.027 8.559 1.00 21.11 H new ATOM 0 HB2 LEU A 81 72.928 -29.158 7.604 1.00 23.44 H new ATOM 0 HB3 LEU A 81 72.039 -28.004 8.578 1.00 23.44 H new ATOM 0 HG LEU A 81 70.853 -28.879 6.531 1.00 32.33 H new ATOM 0 HD11 LEU A 81 69.903 -26.686 5.932 1.00 63.42 H new ATOM 0 HD12 LEU A 81 70.124 -26.853 7.690 1.00 63.42 H new ATOM 0 HD13 LEU A 81 71.270 -25.880 6.738 1.00 63.42 H new ATOM 0 HD21 LEU A 81 71.420 -27.846 4.369 1.00 43.31 H new ATOM 0 HD22 LEU A 81 72.846 -27.084 5.112 1.00 43.31 H new ATOM 0 HD23 LEU A 81 72.748 -28.857 4.986 1.00 43.31 H new ATOM 1198 N THR A 82 75.873 -28.269 7.318 1.00 63.04 N ATOM 1199 CA THR A 82 76.994 -28.859 6.598 1.00 22.51 C ATOM 1200 C THR A 82 76.805 -30.363 6.424 1.00 4.45 C ATOM 1201 O THR A 82 77.036 -31.138 7.354 1.00 44.23 O ATOM 1202 CB THR A 82 78.328 -28.602 7.324 1.00 14.10 C ATOM 1203 OG1 THR A 82 79.393 -29.277 6.647 1.00 23.12 O ATOM 1204 CG2 THR A 82 78.258 -29.074 8.768 1.00 74.41 C ATOM 0 H THR A 82 75.968 -28.287 8.333 1.00 63.04 H new ATOM 0 HA THR A 82 77.025 -28.383 5.618 1.00 22.51 H new ATOM 0 HB THR A 82 78.518 -27.529 7.318 1.00 14.10 H new ATOM 0 HG1 THR A 82 80.237 -29.107 7.114 1.00 23.12 H new ATOM 0 HG21 THR A 82 79.211 -28.882 9.260 1.00 74.41 H new ATOM 0 HG22 THR A 82 77.466 -28.536 9.289 1.00 74.41 H new ATOM 0 HG23 THR A 82 78.046 -30.143 8.792 1.00 74.41 H new ATOM 1212 N ILE A 83 76.385 -30.768 5.231 1.00 1.32 N ATOM 1213 CA ILE A 83 76.167 -32.179 4.937 1.00 42.40 C ATOM 1214 C ILE A 83 76.801 -32.567 3.605 1.00 5.40 C ATOM 1215 O ILE A 83 76.602 -31.897 2.592 1.00 21.43 O ATOM 1216 CB ILE A 83 74.667 -32.521 4.897 1.00 72.03 C ATOM 1217 CG1 ILE A 83 74.297 -33.134 3.545 1.00 63.32 C ATOM 1218 CG2 ILE A 83 73.833 -31.277 5.166 1.00 31.11 C ATOM 1219 CD1 ILE A 83 74.009 -32.105 2.474 1.00 24.41 C ATOM 0 H ILE A 83 76.189 -30.139 4.452 1.00 1.32 H new ATOM 0 HA ILE A 83 76.639 -32.745 5.740 1.00 42.40 H new ATOM 0 HB ILE A 83 74.455 -33.253 5.677 1.00 72.03 H new ATOM 0 HG12 ILE A 83 75.112 -33.776 3.211 1.00 63.32 H new ATOM 0 HG13 ILE A 83 73.421 -33.770 3.671 1.00 63.32 H new ATOM 0 HG21 ILE A 83 72.774 -31.535 5.134 1.00 31.11 H new ATOM 0 HG22 ILE A 83 74.080 -30.879 6.150 1.00 31.11 H new ATOM 0 HG23 ILE A 83 74.046 -30.525 4.406 1.00 31.11 H new ATOM 0 HD11 ILE A 83 73.754 -32.611 1.543 1.00 24.41 H new ATOM 0 HD12 ILE A 83 73.174 -31.478 2.787 1.00 24.41 H new ATOM 0 HD13 ILE A 83 74.891 -31.484 2.320 1.00 24.41 H new ATOM 1231 N GLY A 84 77.566 -33.655 3.614 1.00 50.11 N ATOM 1232 CA GLY A 84 78.216 -34.114 2.401 1.00 42.22 C ATOM 1233 C GLY A 84 79.364 -33.217 1.983 1.00 24.14 C ATOM 1234 O GLY A 84 80.501 -33.673 1.855 1.00 74.44 O ATOM 0 H GLY A 84 77.747 -34.226 4.440 1.00 50.11 H new ATOM 0 HA2 GLY A 84 78.588 -35.127 2.553 1.00 42.22 H new ATOM 0 HA3 GLY A 84 77.483 -34.161 1.595 1.00 42.22 H new ATOM 1238 N GLU A 85 79.068 -31.940 1.769 1.00 15.42 N ATOM 1239 CA GLU A 85 80.086 -30.978 1.361 1.00 54.11 C ATOM 1240 C GLU A 85 80.393 -29.999 2.490 1.00 0.13 C ATOM 1241 O GLU A 85 81.363 -30.171 3.228 1.00 71.13 O ATOM 1242 CB GLU A 85 79.626 -30.212 0.118 1.00 22.44 C ATOM 1243 CG GLU A 85 80.661 -29.236 -0.412 1.00 51.43 C ATOM 1244 CD GLU A 85 82.011 -29.885 -0.646 1.00 61.41 C ATOM 1245 OE1 GLU A 85 82.741 -30.112 0.341 1.00 14.52 O ATOM 1246 OE2 GLU A 85 82.337 -30.169 -1.818 1.00 0.21 O ATOM 0 H GLU A 85 78.132 -31.547 1.871 1.00 15.42 H new ATOM 0 HA GLU A 85 80.996 -31.529 1.124 1.00 54.11 H new ATOM 0 HB2 GLU A 85 79.377 -30.926 -0.667 1.00 22.44 H new ATOM 0 HB3 GLU A 85 78.712 -29.667 0.355 1.00 22.44 H new ATOM 0 HG2 GLU A 85 80.303 -28.805 -1.347 1.00 51.43 H new ATOM 0 HG3 GLU A 85 80.775 -28.414 0.295 1.00 51.43 H new ATOM 1253 N GLU A 86 79.560 -28.971 2.617 1.00 12.33 N ATOM 1254 CA GLU A 86 79.744 -27.964 3.656 1.00 43.31 C ATOM 1255 C GLU A 86 78.406 -27.355 4.067 1.00 44.43 C ATOM 1256 O GLU A 86 77.416 -27.464 3.346 1.00 54.25 O ATOM 1257 CB GLU A 86 80.689 -26.863 3.168 1.00 1.12 C ATOM 1258 CG GLU A 86 82.091 -27.359 2.857 1.00 64.22 C ATOM 1259 CD GLU A 86 82.883 -27.691 4.106 1.00 14.14 C ATOM 1260 OE1 GLU A 86 82.410 -28.526 4.906 1.00 64.15 O ATOM 1261 OE2 GLU A 86 83.978 -27.115 4.285 1.00 35.00 O ATOM 0 H GLU A 86 78.752 -28.813 2.014 1.00 12.33 H new ATOM 0 HA GLU A 86 80.184 -28.452 4.526 1.00 43.31 H new ATOM 0 HB2 GLU A 86 80.268 -26.405 2.273 1.00 1.12 H new ATOM 0 HB3 GLU A 86 80.748 -26.084 3.928 1.00 1.12 H new ATOM 0 HG2 GLU A 86 82.027 -28.245 2.226 1.00 64.22 H new ATOM 0 HG3 GLU A 86 82.623 -26.598 2.286 1.00 64.22 H new ATOM 1268 N ASN A 87 78.387 -26.715 5.232 1.00 73.31 N ATOM 1269 CA ASN A 87 77.171 -26.090 5.740 1.00 5.11 C ATOM 1270 C ASN A 87 76.549 -25.176 4.689 1.00 32.33 C ATOM 1271 O ASN A 87 77.206 -24.277 4.165 1.00 41.40 O ATOM 1272 CB ASN A 87 77.475 -25.292 7.010 1.00 63.40 C ATOM 1273 CG ASN A 87 78.473 -24.177 6.766 1.00 53.12 C ATOM 1274 OD1 ASN A 87 78.116 -23.106 6.275 1.00 53.24 O ATOM 1275 ND2 ASN A 87 79.732 -24.423 7.110 1.00 42.22 N ATOM 0 H ASN A 87 79.199 -26.616 5.841 1.00 73.31 H new ATOM 0 HA ASN A 87 76.458 -26.880 5.977 1.00 5.11 H new ATOM 0 HB2 ASN A 87 76.549 -24.869 7.400 1.00 63.40 H new ATOM 0 HB3 ASN A 87 77.865 -25.965 7.774 1.00 63.40 H new ATOM 0 HD21 ASN A 87 80.448 -23.710 6.970 1.00 42.22 H new ATOM 0 HD22 ASN A 87 79.983 -25.325 7.514 1.00 42.22 H new ATOM 1282 N PHE A 88 75.276 -25.413 4.385 1.00 43.41 N ATOM 1283 CA PHE A 88 74.565 -24.612 3.396 1.00 15.41 C ATOM 1284 C PHE A 88 73.202 -24.178 3.927 1.00 11.53 C ATOM 1285 O PHE A 88 72.348 -25.010 4.231 1.00 31.10 O ATOM 1286 CB PHE A 88 74.390 -25.403 2.099 1.00 43.35 C ATOM 1287 CG PHE A 88 75.674 -25.970 1.565 1.00 5.34 C ATOM 1288 CD1 PHE A 88 76.842 -25.224 1.590 1.00 14.32 C ATOM 1289 CD2 PHE A 88 75.715 -27.252 1.039 1.00 20.22 C ATOM 1290 CE1 PHE A 88 78.025 -25.744 1.101 1.00 73.20 C ATOM 1291 CE2 PHE A 88 76.895 -27.777 0.549 1.00 5.10 C ATOM 1292 CZ PHE A 88 78.052 -27.022 0.579 1.00 52.11 C ATOM 0 H PHE A 88 74.717 -26.153 4.810 1.00 43.41 H new ATOM 0 HA PHE A 88 75.158 -23.720 3.193 1.00 15.41 H new ATOM 0 HB2 PHE A 88 73.686 -26.217 2.272 1.00 43.35 H new ATOM 0 HB3 PHE A 88 73.947 -24.754 1.344 1.00 43.35 H new ATOM 0 HD1 PHE A 88 76.827 -24.224 1.997 1.00 14.32 H new ATOM 0 HD2 PHE A 88 74.814 -27.847 1.012 1.00 20.22 H new ATOM 0 HE1 PHE A 88 78.928 -25.151 1.127 1.00 73.20 H new ATOM 0 HE2 PHE A 88 76.913 -28.777 0.143 1.00 5.10 H new ATOM 0 HZ PHE A 88 78.975 -27.431 0.195 1.00 52.11 H new ATOM 1302 N TRP A 89 73.007 -22.868 4.037 1.00 74.42 N ATOM 1303 CA TRP A 89 71.748 -22.322 4.532 1.00 2.23 C ATOM 1304 C TRP A 89 70.710 -22.252 3.418 1.00 54.14 C ATOM 1305 O TRP A 89 71.013 -21.840 2.298 1.00 21.52 O ATOM 1306 CB TRP A 89 71.971 -20.931 5.127 1.00 14.11 C ATOM 1307 CG TRP A 89 72.752 -20.020 4.230 1.00 54.13 C ATOM 1308 CD1 TRP A 89 74.100 -19.797 4.259 1.00 34.34 C ATOM 1309 CD2 TRP A 89 72.232 -19.206 3.173 1.00 64.04 C ATOM 1310 NE1 TRP A 89 74.448 -18.895 3.284 1.00 43.01 N ATOM 1311 CE2 TRP A 89 73.321 -18.518 2.603 1.00 0.34 C ATOM 1312 CE3 TRP A 89 70.954 -18.994 2.650 1.00 20.15 C ATOM 1313 CZ2 TRP A 89 73.168 -17.633 1.539 1.00 23.13 C ATOM 1314 CZ3 TRP A 89 70.804 -18.116 1.594 1.00 54.13 C ATOM 1315 CH2 TRP A 89 71.905 -17.445 1.047 1.00 41.20 C ATOM 0 H TRP A 89 73.704 -22.165 3.790 1.00 74.42 H new ATOM 0 HA TRP A 89 71.373 -22.986 5.311 1.00 2.23 H new ATOM 0 HB2 TRP A 89 71.004 -20.476 5.342 1.00 14.11 H new ATOM 0 HB3 TRP A 89 72.495 -21.030 6.078 1.00 14.11 H new ATOM 0 HD1 TRP A 89 74.790 -20.262 4.948 1.00 34.34 H new ATOM 0 HE1 TRP A 89 75.393 -18.560 3.097 1.00 43.01 H new ATOM 0 HE3 TRP A 89 70.099 -19.507 3.064 1.00 20.15 H new ATOM 0 HZ2 TRP A 89 74.016 -17.114 1.117 1.00 23.13 H new ATOM 0 HZ3 TRP A 89 69.820 -17.944 1.183 1.00 54.13 H new ATOM 0 HH2 TRP A 89 71.754 -16.766 0.221 1.00 41.20 H new ATOM 1326 N VAL A 90 69.483 -22.655 3.733 1.00 72.44 N ATOM 1327 CA VAL A 90 68.399 -22.636 2.758 1.00 65.55 C ATOM 1328 C VAL A 90 67.605 -21.337 2.843 1.00 23.40 C ATOM 1329 O VAL A 90 67.338 -20.831 3.933 1.00 63.52 O ATOM 1330 CB VAL A 90 67.440 -23.825 2.961 1.00 62.10 C ATOM 1331 CG1 VAL A 90 66.515 -23.569 4.140 1.00 32.04 C ATOM 1332 CG2 VAL A 90 66.641 -24.087 1.693 1.00 20.03 C ATOM 0 H VAL A 90 69.215 -22.998 4.655 1.00 72.44 H new ATOM 0 HA VAL A 90 68.859 -22.713 1.773 1.00 65.55 H new ATOM 0 HB VAL A 90 68.032 -24.714 3.180 1.00 62.10 H new ATOM 0 HG11 VAL A 90 65.845 -24.419 4.268 1.00 32.04 H new ATOM 0 HG12 VAL A 90 67.108 -23.434 5.045 1.00 32.04 H new ATOM 0 HG13 VAL A 90 65.928 -22.670 3.953 1.00 32.04 H new ATOM 0 HG21 VAL A 90 65.969 -24.930 1.854 1.00 20.03 H new ATOM 0 HG22 VAL A 90 66.058 -23.201 1.441 1.00 20.03 H new ATOM 0 HG23 VAL A 90 67.323 -24.318 0.875 1.00 20.03 H new ATOM 1342 N ASP A 91 67.232 -20.802 1.686 1.00 55.33 N ATOM 1343 CA ASP A 91 66.467 -19.562 1.628 1.00 13.25 C ATOM 1344 C ASP A 91 65.108 -19.730 2.300 1.00 33.12 C ATOM 1345 O ASP A 91 64.817 -19.083 3.307 1.00 23.35 O ATOM 1346 CB ASP A 91 66.281 -19.118 0.177 1.00 3.43 C ATOM 1347 CG ASP A 91 66.614 -17.653 -0.028 1.00 22.33 C ATOM 1348 OD1 ASP A 91 67.812 -17.334 -0.179 1.00 52.44 O ATOM 1349 OD2 ASP A 91 65.678 -16.827 -0.036 1.00 11.44 O ATOM 0 H ASP A 91 67.447 -21.208 0.775 1.00 55.33 H new ATOM 0 HA ASP A 91 67.026 -18.795 2.165 1.00 13.25 H new ATOM 0 HB2 ASP A 91 66.914 -19.725 -0.470 1.00 3.43 H new ATOM 0 HB3 ASP A 91 65.250 -19.299 -0.126 1.00 3.43 H new ATOM 1354 N ARG A 92 64.279 -20.602 1.735 1.00 73.13 N ATOM 1355 CA ARG A 92 62.949 -20.853 2.278 1.00 71.22 C ATOM 1356 C ARG A 92 62.413 -22.201 1.802 1.00 5.30 C ATOM 1357 O ARG A 92 62.331 -22.459 0.601 1.00 15.24 O ATOM 1358 CB ARG A 92 61.987 -19.736 1.866 1.00 21.11 C ATOM 1359 CG ARG A 92 61.867 -18.626 2.896 1.00 1.33 C ATOM 1360 CD ARG A 92 60.477 -18.011 2.894 1.00 33.12 C ATOM 1361 NE ARG A 92 60.248 -17.179 1.716 1.00 34.20 N ATOM 1362 CZ ARG A 92 59.092 -16.580 1.453 1.00 41.21 C ATOM 1363 NH1 ARG A 92 58.065 -16.719 2.280 1.00 3.32 N ATOM 1364 NH2 ARG A 92 58.962 -15.838 0.360 1.00 35.55 N ATOM 0 H ARG A 92 64.505 -21.146 0.902 1.00 73.13 H new ATOM 0 HA ARG A 92 63.026 -20.875 3.365 1.00 71.22 H new ATOM 0 HB2 ARG A 92 62.323 -19.309 0.921 1.00 21.11 H new ATOM 0 HB3 ARG A 92 61.000 -20.164 1.689 1.00 21.11 H new ATOM 0 HG2 ARG A 92 62.089 -19.022 3.887 1.00 1.33 H new ATOM 0 HG3 ARG A 92 62.608 -17.854 2.688 1.00 1.33 H new ATOM 0 HD2 ARG A 92 59.730 -18.804 2.928 1.00 33.12 H new ATOM 0 HD3 ARG A 92 60.345 -17.410 3.794 1.00 33.12 H new ATOM 0 HE ARG A 92 61.018 -17.051 1.059 1.00 34.20 H new ATOM 0 HH11 ARG A 92 58.161 -17.287 3.121 1.00 3.32 H new ATOM 0 HH12 ARG A 92 57.179 -16.257 2.075 1.00 3.32 H new ATOM 0 HH21 ARG A 92 59.750 -15.728 -0.278 1.00 35.55 H new ATOM 0 HH22 ARG A 92 58.074 -15.378 0.158 1.00 35.55 H new ATOM 1378 N VAL A 93 62.052 -23.057 2.753 1.00 73.14 N ATOM 1379 CA VAL A 93 61.524 -24.378 2.431 1.00 54.15 C ATOM 1380 C VAL A 93 60.149 -24.586 3.055 1.00 61.24 C ATOM 1381 O VAL A 93 59.924 -24.249 4.217 1.00 1.32 O ATOM 1382 CB VAL A 93 62.469 -25.492 2.915 1.00 2.24 C ATOM 1383 CG1 VAL A 93 63.864 -25.298 2.338 1.00 33.32 C ATOM 1384 CG2 VAL A 93 62.513 -25.531 4.436 1.00 43.03 C ATOM 0 H VAL A 93 62.115 -22.860 3.752 1.00 73.14 H new ATOM 0 HA VAL A 93 61.439 -24.430 1.346 1.00 54.15 H new ATOM 0 HB VAL A 93 62.085 -26.449 2.561 1.00 2.24 H new ATOM 0 HG11 VAL A 93 64.518 -26.095 2.691 1.00 33.32 H new ATOM 0 HG12 VAL A 93 63.814 -25.325 1.249 1.00 33.32 H new ATOM 0 HG13 VAL A 93 64.260 -24.335 2.659 1.00 33.32 H new ATOM 0 HG21 VAL A 93 63.186 -26.325 4.760 1.00 43.03 H new ATOM 0 HG22 VAL A 93 62.872 -24.574 4.814 1.00 43.03 H new ATOM 0 HG23 VAL A 93 61.513 -25.723 4.824 1.00 43.03 H new ATOM 1394 N SER A 94 59.229 -25.146 2.274 1.00 23.14 N ATOM 1395 CA SER A 94 57.874 -25.397 2.748 1.00 13.23 C ATOM 1396 C SER A 94 57.397 -26.782 2.321 1.00 62.21 C ATOM 1397 O SER A 94 57.498 -27.169 1.156 1.00 74.12 O ATOM 1398 CB SER A 94 56.918 -24.328 2.215 1.00 62.41 C ATOM 1399 OG SER A 94 57.082 -23.104 2.909 1.00 30.15 O ATOM 0 H SER A 94 59.399 -25.434 1.310 1.00 23.14 H new ATOM 0 HA SER A 94 57.883 -25.355 3.837 1.00 13.23 H new ATOM 0 HB2 SER A 94 57.098 -24.173 1.151 1.00 62.41 H new ATOM 0 HB3 SER A 94 55.889 -24.673 2.318 1.00 62.41 H new ATOM 0 HG SER A 94 56.461 -22.437 2.548 1.00 30.15 H new ATOM 1405 N PRO A 95 56.865 -27.547 3.285 1.00 71.42 N ATOM 1406 CA PRO A 95 56.360 -28.901 3.033 1.00 15.31 C ATOM 1407 C PRO A 95 55.086 -28.899 2.196 1.00 55.23 C ATOM 1408 O PRO A 95 54.347 -27.914 2.176 1.00 34.14 O ATOM 1409 CB PRO A 95 56.076 -29.440 4.437 1.00 15.03 C ATOM 1410 CG PRO A 95 55.833 -28.227 5.267 1.00 55.13 C ATOM 1411 CD PRO A 95 56.712 -27.150 4.695 1.00 3.15 C ATOM 0 HA PRO A 95 57.071 -29.502 2.466 1.00 15.31 H new ATOM 0 HB2 PRO A 95 55.209 -30.101 4.439 1.00 15.03 H new ATOM 0 HB3 PRO A 95 56.919 -30.017 4.817 1.00 15.03 H new ATOM 0 HG2 PRO A 95 54.784 -27.934 5.232 1.00 55.13 H new ATOM 0 HG3 PRO A 95 56.076 -28.415 6.313 1.00 55.13 H new ATOM 0 HD2 PRO A 95 56.253 -26.166 4.788 1.00 3.15 H new ATOM 0 HD3 PRO A 95 57.674 -27.103 5.206 1.00 3.15 H new ATOM 1419 N ASP A 96 54.836 -30.006 1.506 1.00 54.05 N ATOM 1420 CA ASP A 96 53.649 -30.132 0.668 1.00 52.15 C ATOM 1421 C ASP A 96 52.744 -31.251 1.171 1.00 35.33 C ATOM 1422 O ASP A 96 51.537 -31.246 0.925 1.00 23.10 O ATOM 1423 CB ASP A 96 54.050 -30.398 -0.784 1.00 42.42 C ATOM 1424 CG ASP A 96 52.987 -29.953 -1.769 1.00 5.13 C ATOM 1425 OD1 ASP A 96 51.833 -29.745 -1.342 1.00 53.23 O ATOM 1426 OD2 ASP A 96 53.309 -29.813 -2.968 1.00 10.34 O ATOM 0 H ASP A 96 55.439 -30.829 1.510 1.00 54.05 H new ATOM 0 HA ASP A 96 53.098 -29.193 0.719 1.00 52.15 H new ATOM 0 HB2 ASP A 96 54.983 -29.878 -1.001 1.00 42.42 H new ATOM 0 HB3 ASP A 96 54.240 -31.463 -0.916 1.00 42.42 H new ATOM 1457 N SER A 100 58.214 -32.024 3.558 1.00 11.03 N ATOM 1458 CA SER A 100 58.938 -32.220 2.308 1.00 23.23 C ATOM 1459 C SER A 100 59.607 -30.924 1.859 1.00 20.21 C ATOM 1460 O SER A 100 60.177 -30.853 0.769 1.00 15.12 O ATOM 1461 CB SER A 100 57.989 -32.722 1.218 1.00 2.03 C ATOM 1462 OG SER A 100 57.850 -34.131 1.272 1.00 71.12 O ATOM 0 HA SER A 100 59.712 -32.968 2.478 1.00 23.23 H new ATOM 0 HB2 SER A 100 57.013 -32.252 1.337 1.00 2.03 H new ATOM 0 HB3 SER A 100 58.367 -32.428 0.239 1.00 2.03 H new ATOM 0 HG SER A 100 57.237 -34.427 0.567 1.00 71.12 H new ATOM 1468 N CYS A 101 59.533 -29.903 2.706 1.00 4.04 N ATOM 1469 CA CYS A 101 60.131 -28.610 2.397 1.00 52.14 C ATOM 1470 C CYS A 101 61.556 -28.778 1.881 1.00 53.21 C ATOM 1471 O CYS A 101 62.356 -29.509 2.465 1.00 60.04 O ATOM 1472 CB CYS A 101 60.125 -27.714 3.636 1.00 13.42 C ATOM 1473 SG CYS A 101 60.987 -28.419 5.061 1.00 62.15 S ATOM 0 H CYS A 101 59.065 -29.946 3.611 1.00 4.04 H new ATOM 0 HA CYS A 101 59.536 -28.140 1.615 1.00 52.14 H new ATOM 0 HB2 CYS A 101 60.585 -26.759 3.383 1.00 13.42 H new ATOM 0 HB3 CYS A 101 59.092 -27.506 3.916 1.00 13.42 H new ATOM 0 HG CYS A 101 61.137 -29.699 4.888 1.00 62.15 H new ATOM 1479 N HIS A 102 61.867 -28.097 0.783 1.00 52.02 N ATOM 1480 CA HIS A 102 63.196 -28.171 0.187 1.00 71.22 C ATOM 1481 C HIS A 102 63.421 -27.017 -0.786 1.00 20.14 C ATOM 1482 O HIS A 102 62.590 -26.755 -1.657 1.00 0.02 O ATOM 1483 CB HIS A 102 63.380 -29.506 -0.535 1.00 1.23 C ATOM 1484 CG HIS A 102 62.508 -29.659 -1.743 1.00 3.13 C ATOM 1485 ND1 HIS A 102 62.990 -30.054 -2.974 1.00 34.13 N ATOM 1486 CD2 HIS A 102 61.178 -29.469 -1.905 1.00 1.51 C ATOM 1487 CE1 HIS A 102 61.993 -30.098 -3.840 1.00 61.32 C ATOM 1488 NE2 HIS A 102 60.883 -29.748 -3.217 1.00 33.21 N ATOM 0 H HIS A 102 61.216 -27.487 0.288 1.00 52.02 H new ATOM 0 HA HIS A 102 63.931 -28.095 0.988 1.00 71.22 H new ATOM 0 HB2 HIS A 102 64.423 -29.607 -0.835 1.00 1.23 H new ATOM 0 HB3 HIS A 102 63.169 -30.318 0.161 1.00 1.23 H new ATOM 0 HD2 HIS A 102 60.478 -29.156 -1.144 1.00 1.51 H new ATOM 0 HE1 HIS A 102 62.073 -30.374 -4.881 1.00 61.32 H new ATOM 0 HE2 HIS A 102 59.957 -29.694 -3.641 1.00 33.21 H new ATOM 1496 N LEU A 103 64.548 -26.331 -0.632 1.00 32.32 N ATOM 1497 CA LEU A 103 64.883 -25.205 -1.497 1.00 34.43 C ATOM 1498 C LEU A 103 66.391 -25.099 -1.694 1.00 20.35 C ATOM 1499 O LEU A 103 67.169 -25.587 -0.874 1.00 42.32 O ATOM 1500 CB LEU A 103 64.341 -23.903 -0.903 1.00 23.41 C ATOM 1501 CG LEU A 103 64.723 -22.620 -1.641 1.00 1.11 C ATOM 1502 CD1 LEU A 103 63.596 -21.603 -1.561 1.00 75.34 C ATOM 1503 CD2 LEU A 103 66.009 -22.039 -1.071 1.00 74.40 C ATOM 0 H LEU A 103 65.245 -26.535 0.084 1.00 32.32 H new ATOM 0 HA LEU A 103 64.420 -25.375 -2.469 1.00 34.43 H new ATOM 0 HB2 LEU A 103 63.254 -23.968 -0.867 1.00 23.41 H new ATOM 0 HB3 LEU A 103 64.690 -23.824 0.127 1.00 23.41 H new ATOM 0 HG LEU A 103 64.892 -22.864 -2.690 1.00 1.11 H new ATOM 0 HD11 LEU A 103 63.886 -20.696 -2.092 1.00 75.34 H new ATOM 0 HD12 LEU A 103 62.698 -22.019 -2.017 1.00 75.34 H new ATOM 0 HD13 LEU A 103 63.395 -21.364 -0.517 1.00 75.34 H new ATOM 0 HD21 LEU A 103 66.265 -21.126 -1.609 1.00 74.40 H new ATOM 0 HD22 LEU A 103 65.868 -21.811 -0.015 1.00 74.40 H new ATOM 0 HD23 LEU A 103 66.816 -22.764 -1.181 1.00 74.40 H new ATOM 1515 N TRP A 104 66.796 -24.457 -2.783 1.00 4.21 N ATOM 1516 CA TRP A 104 68.212 -24.285 -3.086 1.00 41.43 C ATOM 1517 C TRP A 104 68.896 -23.428 -2.026 1.00 0.23 C ATOM 1518 O TRP A 104 68.651 -22.225 -1.933 1.00 60.01 O ATOM 1519 CB TRP A 104 68.385 -23.645 -4.465 1.00 2.32 C ATOM 1520 CG TRP A 104 67.631 -24.354 -5.548 1.00 32.33 C ATOM 1521 CD1 TRP A 104 68.006 -25.496 -6.196 1.00 72.22 C ATOM 1522 CD2 TRP A 104 66.372 -23.967 -6.109 1.00 51.33 C ATOM 1523 NE1 TRP A 104 67.056 -25.843 -7.126 1.00 50.54 N ATOM 1524 CE2 TRP A 104 66.043 -24.920 -7.092 1.00 63.51 C ATOM 1525 CE3 TRP A 104 65.490 -22.909 -5.876 1.00 31.40 C ATOM 1526 CZ2 TRP A 104 64.871 -24.845 -7.840 1.00 45.52 C ATOM 1527 CZ3 TRP A 104 64.327 -22.835 -6.620 1.00 75.31 C ATOM 1528 CH2 TRP A 104 64.026 -23.799 -7.592 1.00 54.24 C ATOM 0 H TRP A 104 66.164 -24.047 -3.471 1.00 4.21 H new ATOM 0 HA TRP A 104 68.680 -25.270 -3.088 1.00 41.43 H new ATOM 0 HB2 TRP A 104 68.053 -22.608 -4.420 1.00 2.32 H new ATOM 0 HB3 TRP A 104 69.445 -23.630 -4.720 1.00 2.32 H new ATOM 0 HD1 TRP A 104 68.916 -26.046 -6.005 1.00 72.22 H new ATOM 0 HE1 TRP A 104 67.098 -26.655 -7.742 1.00 50.54 H new ATOM 0 HE3 TRP A 104 65.713 -22.162 -5.128 1.00 31.40 H new ATOM 0 HZ2 TRP A 104 64.638 -25.587 -8.590 1.00 45.52 H new ATOM 0 HZ3 TRP A 104 63.639 -22.020 -6.449 1.00 75.31 H new ATOM 0 HH2 TRP A 104 63.109 -23.714 -8.156 1.00 54.24 H new ATOM 1539 N LEU A 105 69.753 -24.055 -1.227 1.00 63.54 N ATOM 1540 CA LEU A 105 70.473 -23.350 -0.173 1.00 33.31 C ATOM 1541 C LEU A 105 71.785 -22.777 -0.699 1.00 15.34 C ATOM 1542 O LEU A 105 72.272 -23.180 -1.753 1.00 62.35 O ATOM 1543 CB LEU A 105 70.748 -24.292 1.001 1.00 13.30 C ATOM 1544 CG LEU A 105 70.946 -25.765 0.647 1.00 22.24 C ATOM 1545 CD1 LEU A 105 72.114 -25.932 -0.313 1.00 2.21 C ATOM 1546 CD2 LEU A 105 71.167 -26.592 1.906 1.00 13.43 C ATOM 0 H LEU A 105 69.966 -25.051 -1.289 1.00 63.54 H new ATOM 0 HA LEU A 105 69.850 -22.524 0.170 1.00 33.31 H new ATOM 0 HB2 LEU A 105 71.639 -23.941 1.521 1.00 13.30 H new ATOM 0 HB3 LEU A 105 69.918 -24.216 1.704 1.00 13.30 H new ATOM 0 HG LEU A 105 70.043 -26.124 0.154 1.00 22.24 H new ATOM 0 HD11 LEU A 105 72.239 -26.988 -0.553 1.00 2.21 H new ATOM 0 HD12 LEU A 105 71.916 -25.373 -1.227 1.00 2.21 H new ATOM 0 HD13 LEU A 105 73.025 -25.555 0.153 1.00 2.21 H new ATOM 0 HD21 LEU A 105 71.306 -27.638 1.634 1.00 13.43 H new ATOM 0 HD22 LEU A 105 72.054 -26.231 2.427 1.00 13.43 H new ATOM 0 HD23 LEU A 105 70.299 -26.499 2.559 1.00 13.43 H new ATOM 1558 N GLY A 106 72.354 -21.835 0.047 1.00 54.43 N ATOM 1559 CA GLY A 106 73.605 -21.222 -0.359 1.00 44.13 C ATOM 1560 C GLY A 106 74.813 -21.927 0.228 1.00 51.24 C ATOM 1561 O GLY A 106 74.693 -22.668 1.203 1.00 4.34 O ATOM 0 H GLY A 106 71.971 -21.486 0.925 1.00 54.43 H new ATOM 0 HA2 GLY A 106 73.675 -21.232 -1.447 1.00 44.13 H new ATOM 0 HA3 GLY A 106 73.612 -20.177 -0.049 1.00 44.13 H new ATOM 1565 N ARG A 107 75.978 -21.698 -0.369 1.00 31.21 N ATOM 1566 CA ARG A 107 77.211 -22.319 0.098 1.00 3.40 C ATOM 1567 C ARG A 107 77.611 -21.771 1.465 1.00 24.40 C ATOM 1568 O ARG A 107 77.190 -20.684 1.856 1.00 15.44 O ATOM 1569 CB ARG A 107 78.339 -22.083 -0.908 1.00 60.12 C ATOM 1570 CG ARG A 107 79.010 -20.727 -0.764 1.00 2.43 C ATOM 1571 CD ARG A 107 79.307 -20.106 -2.120 1.00 20.42 C ATOM 1572 NE ARG A 107 79.778 -18.729 -2.000 1.00 73.31 N ATOM 1573 CZ ARG A 107 80.310 -18.044 -3.006 1.00 54.10 C ATOM 1574 NH1 ARG A 107 80.439 -18.606 -4.200 1.00 63.12 N ATOM 1575 NH2 ARG A 107 80.714 -16.794 -2.818 1.00 64.54 N ATOM 0 H ARG A 107 76.094 -21.087 -1.177 1.00 31.21 H new ATOM 0 HA ARG A 107 77.036 -23.391 0.192 1.00 3.40 H new ATOM 0 HB2 ARG A 107 79.089 -22.865 -0.789 1.00 60.12 H new ATOM 0 HB3 ARG A 107 77.939 -22.176 -1.918 1.00 60.12 H new ATOM 0 HG2 ARG A 107 78.366 -20.060 -0.190 1.00 2.43 H new ATOM 0 HG3 ARG A 107 79.937 -20.836 -0.202 1.00 2.43 H new ATOM 0 HD2 ARG A 107 80.060 -20.703 -2.635 1.00 20.42 H new ATOM 0 HD3 ARG A 107 78.407 -20.129 -2.734 1.00 20.42 H new ATOM 0 HE ARG A 107 79.694 -18.268 -1.094 1.00 73.31 H new ATOM 0 HH11 ARG A 107 80.129 -19.567 -4.348 1.00 63.12 H new ATOM 0 HH12 ARG A 107 80.848 -18.078 -4.971 1.00 63.12 H new ATOM 0 HH21 ARG A 107 80.616 -16.359 -1.901 1.00 64.54 H new ATOM 0 HH22 ARG A 107 81.122 -16.268 -3.591 1.00 64.54 H new ATOM 1589 N GLY A 108 78.428 -22.534 2.186 1.00 52.41 N ATOM 1590 CA GLY A 108 78.871 -22.108 3.501 1.00 33.24 C ATOM 1591 C GLY A 108 79.950 -23.009 4.069 1.00 30.14 C ATOM 1592 O GLY A 108 79.696 -24.172 4.383 1.00 50.22 O ATOM 0 H GLY A 108 78.790 -23.438 1.883 1.00 52.41 H new ATOM 0 HA2 GLY A 108 79.249 -21.087 3.441 1.00 33.24 H new ATOM 0 HA3 GLY A 108 78.019 -22.093 4.181 1.00 33.24 H new ATOM 1596 N VAL A 109 81.158 -22.472 4.199 1.00 2.42 N ATOM 1597 CA VAL A 109 82.281 -23.235 4.733 1.00 63.12 C ATOM 1598 C VAL A 109 82.544 -22.879 6.192 1.00 43.32 C ATOM 1599 O VAL A 109 82.577 -21.710 6.575 1.00 41.21 O ATOM 1600 CB VAL A 109 83.564 -22.990 3.916 1.00 71.50 C ATOM 1601 CG1 VAL A 109 83.916 -21.511 3.904 1.00 51.13 C ATOM 1602 CG2 VAL A 109 84.715 -23.815 4.473 1.00 12.10 C ATOM 0 H VAL A 109 81.385 -21.511 3.942 1.00 2.42 H new ATOM 0 HA VAL A 109 82.010 -24.288 4.663 1.00 63.12 H new ATOM 0 HB VAL A 109 83.384 -23.304 2.888 1.00 71.50 H new ATOM 0 HG11 VAL A 109 84.825 -21.358 3.322 1.00 51.13 H new ATOM 0 HG12 VAL A 109 83.099 -20.946 3.456 1.00 51.13 H new ATOM 0 HG13 VAL A 109 84.077 -21.167 4.926 1.00 51.13 H new ATOM 0 HG21 VAL A 109 85.614 -23.630 3.884 1.00 12.10 H new ATOM 0 HG22 VAL A 109 84.896 -23.533 5.510 1.00 12.10 H new ATOM 0 HG23 VAL A 109 84.461 -24.874 4.424 1.00 12.10 H new ATOM 1612 N PRO A 110 82.738 -23.910 7.026 1.00 20.41 N ATOM 1613 CA PRO A 110 83.003 -23.733 8.457 1.00 53.35 C ATOM 1614 C PRO A 110 84.379 -23.134 8.721 1.00 44.41 C ATOM 1615 O PRO A 110 85.229 -23.052 7.833 1.00 54.33 O ATOM 1616 CB PRO A 110 82.923 -25.156 9.013 1.00 32.43 C ATOM 1617 CG PRO A 110 83.249 -26.034 7.854 1.00 12.33 C ATOM 1618 CD PRO A 110 82.713 -25.330 6.639 1.00 64.53 C ATOM 0 HA PRO A 110 82.299 -23.041 8.919 1.00 53.35 H new ATOM 0 HB2 PRO A 110 83.629 -25.302 9.831 1.00 32.43 H new ATOM 0 HB3 PRO A 110 81.930 -25.372 9.406 1.00 32.43 H new ATOM 0 HG2 PRO A 110 84.325 -26.189 7.772 1.00 12.33 H new ATOM 0 HG3 PRO A 110 82.793 -27.017 7.969 1.00 12.33 H new ATOM 0 HD2 PRO A 110 83.331 -25.518 5.761 1.00 64.53 H new ATOM 0 HD3 PRO A 110 81.704 -25.662 6.395 1.00 64.53 H new