USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 541 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 56 THR OG1 : rot -30:sc= 0.0847 USER MOD Set 1.2: A 66 THR OG1 : rot 87:sc= 0.164 USER MOD Single : A 33 SER OG : rot 180:sc= -0.13 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.017) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -49:sc= 1.04 USER MOD Single : A 44 ASN : amide:sc= -0.632 X(o=-0.63,f=-0.4) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= -0.0144 (180deg=-0.213) USER MOD Single : A 58 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.62) USER MOD Single : A 65 LYS NZ :NH3+ 152:sc= -0.389 (180deg=-1.79!) USER MOD Single : A 67 MET CE :methyl 151:sc= -6.27! (180deg=-7.48!) USER MOD Single : A 71 MET CE :methyl 152:sc= -0.152 (180deg=-0.669) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.187 F(o=-0.95,f=-0.19) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -141:sc= -0.124 (180deg=-0.754) USER MOD Single : A 88 ASN : amide:sc= 0.777 K(o=0.78,f=-0.004) USER MOD Single : A 89 TYR OH : rot -62:sc= 0.815 USER MOD Single : A 90 THR OG1 : rot 30:sc= 0.261 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 432 N VAL A 31 10.595 -23.797 -4.035 1.00 34.35 N ATOM 433 CA VAL A 31 10.210 -22.560 -4.701 1.00 4.32 C ATOM 434 C VAL A 31 10.510 -21.348 -3.827 1.00 62.44 C ATOM 435 O VAL A 31 9.735 -20.392 -3.790 1.00 15.23 O ATOM 436 CB VAL A 31 8.713 -22.561 -5.065 1.00 54.12 C ATOM 437 CG1 VAL A 31 8.418 -23.624 -6.112 1.00 32.04 C ATOM 438 CG2 VAL A 31 7.864 -22.774 -3.821 1.00 41.10 C ATOM 0 HA VAL A 31 10.798 -22.497 -5.616 1.00 4.32 H new ATOM 0 HB VAL A 31 8.459 -21.590 -5.489 1.00 54.12 H new ATOM 0 HG11 VAL A 31 7.356 -23.609 -6.356 1.00 32.04 H new ATOM 0 HG12 VAL A 31 9.000 -23.421 -7.011 1.00 32.04 H new ATOM 0 HG13 VAL A 31 8.687 -24.605 -5.720 1.00 32.04 H new ATOM 0 HG21 VAL A 31 6.809 -22.772 -4.096 1.00 41.10 H new ATOM 0 HG22 VAL A 31 8.119 -23.731 -3.366 1.00 41.10 H new ATOM 0 HG23 VAL A 31 8.055 -21.972 -3.108 1.00 41.10 H new ATOM 448 N GLU A 32 11.637 -21.395 -3.124 1.00 32.11 N ATOM 449 CA GLU A 32 12.038 -20.300 -2.249 1.00 64.23 C ATOM 450 C GLU A 32 12.528 -19.106 -3.062 1.00 13.03 C ATOM 451 O GLU A 32 12.500 -17.968 -2.592 1.00 3.21 O ATOM 452 CB GLU A 32 13.134 -20.761 -1.287 1.00 62.10 C ATOM 453 CG GLU A 32 14.455 -21.069 -1.972 1.00 64.40 C ATOM 454 CD GLU A 32 15.550 -21.436 -0.989 1.00 40.13 C ATOM 455 OE1 GLU A 32 15.257 -21.517 0.222 1.00 73.04 O ATOM 456 OE2 GLU A 32 16.699 -21.641 -1.432 1.00 34.23 O ATOM 0 H GLU A 32 12.288 -22.180 -3.143 1.00 32.11 H new ATOM 0 HA GLU A 32 11.166 -19.992 -1.673 1.00 64.23 H new ATOM 0 HB2 GLU A 32 13.295 -19.988 -0.536 1.00 62.10 H new ATOM 0 HB3 GLU A 32 12.792 -21.651 -0.759 1.00 62.10 H new ATOM 0 HG2 GLU A 32 14.313 -21.890 -2.675 1.00 64.40 H new ATOM 0 HG3 GLU A 32 14.769 -20.202 -2.553 1.00 64.40 H new ATOM 464 N SER A 33 12.979 -19.373 -4.283 1.00 61.12 N ATOM 465 CA SER A 33 13.480 -18.322 -5.160 1.00 10.20 C ATOM 466 C SER A 33 12.572 -18.148 -6.373 1.00 40.52 C ATOM 467 O SER A 33 12.567 -17.096 -7.012 1.00 51.32 O ATOM 468 CB SER A 33 14.904 -18.647 -5.617 1.00 53.43 C ATOM 469 OG SER A 33 15.697 -19.101 -4.534 1.00 50.23 O ATOM 0 H SER A 33 13.008 -20.309 -4.688 1.00 61.12 H new ATOM 0 HA SER A 33 13.490 -17.388 -4.599 1.00 10.20 H new ATOM 0 HB2 SER A 33 14.874 -19.410 -6.395 1.00 53.43 H new ATOM 0 HB3 SER A 33 15.359 -17.760 -6.058 1.00 53.43 H new ATOM 0 HG SER A 33 16.601 -19.303 -4.853 1.00 50.23 H new ATOM 475 N ASP A 34 11.806 -19.187 -6.685 1.00 63.12 N ATOM 476 CA ASP A 34 10.891 -19.150 -7.821 1.00 1.12 C ATOM 477 C ASP A 34 9.938 -17.965 -7.712 1.00 53.44 C ATOM 478 O ASP A 34 9.435 -17.463 -8.719 1.00 33.13 O ATOM 479 CB ASP A 34 10.096 -20.454 -7.906 1.00 32.44 C ATOM 480 CG ASP A 34 9.187 -20.500 -9.118 1.00 53.42 C ATOM 481 OD1 ASP A 34 8.058 -21.018 -8.994 1.00 21.13 O ATOM 482 OD2 ASP A 34 9.604 -20.014 -10.191 1.00 20.24 O ATOM 0 H ASP A 34 11.800 -20.066 -6.167 1.00 63.12 H new ATOM 0 HA ASP A 34 11.483 -19.035 -8.729 1.00 1.12 H new ATOM 0 HB2 ASP A 34 10.787 -21.296 -7.942 1.00 32.44 H new ATOM 0 HB3 ASP A 34 9.498 -20.571 -7.002 1.00 32.44 H new ATOM 488 N LEU A 35 9.690 -17.521 -6.485 1.00 34.33 N ATOM 489 CA LEU A 35 8.795 -16.394 -6.243 1.00 31.03 C ATOM 490 C LEU A 35 9.312 -15.132 -6.927 1.00 1.22 C ATOM 491 O LEU A 35 8.540 -14.233 -7.259 1.00 64.12 O ATOM 492 CB LEU A 35 8.645 -16.150 -4.741 1.00 15.44 C ATOM 493 CG LEU A 35 7.456 -16.834 -4.065 1.00 14.54 C ATOM 494 CD1 LEU A 35 7.863 -18.193 -3.519 1.00 70.12 C ATOM 495 CD2 LEU A 35 6.898 -15.957 -2.954 1.00 55.24 C ATOM 0 H LEU A 35 10.096 -17.924 -5.641 1.00 34.33 H new ATOM 0 HA LEU A 35 7.820 -16.639 -6.663 1.00 31.03 H new ATOM 0 HB2 LEU A 35 9.558 -16.481 -4.247 1.00 15.44 H new ATOM 0 HB3 LEU A 35 8.564 -15.076 -4.574 1.00 15.44 H new ATOM 0 HG LEU A 35 6.675 -16.983 -4.810 1.00 14.54 H new ATOM 0 HD11 LEU A 35 7.004 -18.665 -3.041 1.00 70.12 H new ATOM 0 HD12 LEU A 35 8.216 -18.823 -4.336 1.00 70.12 H new ATOM 0 HD13 LEU A 35 8.661 -18.067 -2.788 1.00 70.12 H new ATOM 0 HD21 LEU A 35 6.053 -16.459 -2.484 1.00 55.24 H new ATOM 0 HD22 LEU A 35 7.673 -15.777 -2.209 1.00 55.24 H new ATOM 0 HD23 LEU A 35 6.568 -15.006 -3.372 1.00 55.24 H new ATOM 507 N ASP A 36 10.623 -15.074 -7.136 1.00 33.20 N ATOM 508 CA ASP A 36 11.243 -13.923 -7.783 1.00 2.24 C ATOM 509 C ASP A 36 10.565 -13.617 -9.115 1.00 24.32 C ATOM 510 O ASP A 36 10.532 -12.469 -9.556 1.00 25.20 O ATOM 511 CB ASP A 36 12.735 -14.178 -8.003 1.00 10.44 C ATOM 512 CG ASP A 36 13.458 -12.959 -8.541 1.00 74.14 C ATOM 513 OD1 ASP A 36 14.177 -12.303 -7.759 1.00 54.10 O ATOM 514 OD2 ASP A 36 13.304 -12.660 -9.743 1.00 64.44 O ATOM 0 H ASP A 36 11.276 -15.810 -6.867 1.00 33.20 H new ATOM 0 HA ASP A 36 11.122 -13.060 -7.128 1.00 2.24 H new ATOM 0 HB2 ASP A 36 13.192 -14.481 -7.061 1.00 10.44 H new ATOM 0 HB3 ASP A 36 12.860 -15.007 -8.699 1.00 10.44 H new ATOM 520 N MET A 37 10.026 -14.654 -9.750 1.00 54.02 N ATOM 521 CA MET A 37 9.348 -14.495 -11.031 1.00 25.22 C ATOM 522 C MET A 37 8.280 -13.410 -10.951 1.00 51.10 C ATOM 523 O MET A 37 7.979 -12.750 -11.945 1.00 75.54 O ATOM 524 CB MET A 37 8.716 -15.819 -11.464 1.00 64.34 C ATOM 525 CG MET A 37 8.493 -15.924 -12.964 1.00 4.34 C ATOM 526 SD MET A 37 7.141 -17.040 -13.389 1.00 13.22 S ATOM 527 CE MET A 37 7.064 -16.817 -15.165 1.00 12.11 C ATOM 0 H MET A 37 10.046 -15.611 -9.399 1.00 54.02 H new ATOM 0 HA MET A 37 10.089 -14.195 -11.771 1.00 25.22 H new ATOM 0 HB2 MET A 37 9.356 -16.640 -11.142 1.00 64.34 H new ATOM 0 HB3 MET A 37 7.761 -15.940 -10.954 1.00 64.34 H new ATOM 0 HG2 MET A 37 8.281 -14.933 -13.366 1.00 4.34 H new ATOM 0 HG3 MET A 37 9.410 -16.272 -13.440 1.00 4.34 H new ATOM 0 HE1 MET A 37 6.273 -17.444 -15.576 1.00 12.11 H new ATOM 0 HE2 MET A 37 6.854 -15.772 -15.392 1.00 12.11 H new ATOM 0 HE3 MET A 37 8.018 -17.100 -15.609 1.00 12.11 H new ATOM 537 N GLN A 38 7.712 -13.231 -9.763 1.00 61.22 N ATOM 538 CA GLN A 38 6.677 -12.226 -9.554 1.00 64.13 C ATOM 539 C GLN A 38 7.172 -10.842 -9.962 1.00 72.13 C ATOM 540 O GLN A 38 6.379 -9.966 -10.306 1.00 75.02 O ATOM 541 CB GLN A 38 6.236 -12.213 -8.090 1.00 15.13 C ATOM 542 CG GLN A 38 5.321 -13.368 -7.719 1.00 0.14 C ATOM 543 CD GLN A 38 4.401 -13.036 -6.561 1.00 23.21 C ATOM 544 OE1 GLN A 38 3.238 -12.683 -6.759 1.00 52.43 O ATOM 545 NE2 GLN A 38 4.916 -13.148 -5.343 1.00 35.35 N ATOM 0 H GLN A 38 7.951 -13.769 -8.930 1.00 61.22 H new ATOM 0 HA GLN A 38 5.823 -12.485 -10.180 1.00 64.13 H new ATOM 0 HB2 GLN A 38 7.120 -12.242 -7.453 1.00 15.13 H new ATOM 0 HB3 GLN A 38 5.724 -11.274 -7.882 1.00 15.13 H new ATOM 0 HG2 GLN A 38 4.722 -13.644 -8.586 1.00 0.14 H new ATOM 0 HG3 GLN A 38 5.926 -14.237 -7.460 1.00 0.14 H new ATOM 0 HE21 GLN A 38 5.885 -13.444 -5.224 1.00 35.35 H new ATOM 0 HE22 GLN A 38 4.343 -12.938 -4.526 1.00 35.35 H new ATOM 554 N GLN A 39 8.487 -10.653 -9.919 1.00 3.35 N ATOM 555 CA GLN A 39 9.087 -9.376 -10.282 1.00 0.41 C ATOM 556 C GLN A 39 8.646 -8.944 -11.678 1.00 31.21 C ATOM 557 O GLN A 39 8.488 -7.754 -11.948 1.00 10.20 O ATOM 558 CB GLN A 39 10.613 -9.470 -10.224 1.00 54.35 C ATOM 559 CG GLN A 39 11.174 -9.374 -8.815 1.00 34.01 C ATOM 560 CD GLN A 39 12.672 -9.138 -8.798 1.00 34.13 C ATOM 561 OE1 GLN A 39 13.169 -8.276 -8.072 1.00 43.44 O ATOM 562 NE2 GLN A 39 13.401 -9.905 -9.600 1.00 3.03 N ATOM 0 H GLN A 39 9.157 -11.369 -9.636 1.00 3.35 H new ATOM 0 HA GLN A 39 8.748 -8.628 -9.565 1.00 0.41 H new ATOM 0 HB2 GLN A 39 10.928 -10.414 -10.668 1.00 54.35 H new ATOM 0 HB3 GLN A 39 11.041 -8.673 -10.832 1.00 54.35 H new ATOM 0 HG2 GLN A 39 10.676 -8.562 -8.284 1.00 34.01 H new ATOM 0 HG3 GLN A 39 10.949 -10.294 -8.275 1.00 34.01 H new ATOM 0 HE21 GLN A 39 12.948 -10.607 -10.185 1.00 3.03 H new ATOM 0 HE22 GLN A 39 14.414 -9.792 -9.631 1.00 3.03 H new ATOM 571 N ALA A 40 8.449 -9.920 -12.558 1.00 53.04 N ATOM 572 CA ALA A 40 8.023 -9.640 -13.924 1.00 11.34 C ATOM 573 C ALA A 40 6.655 -8.968 -13.947 1.00 25.34 C ATOM 574 O ALA A 40 6.315 -8.264 -14.897 1.00 45.00 O ATOM 575 CB ALA A 40 7.997 -10.923 -14.742 1.00 31.15 C ATOM 0 H ALA A 40 8.577 -10.910 -12.350 1.00 53.04 H new ATOM 0 HA ALA A 40 8.743 -8.953 -14.368 1.00 11.34 H new ATOM 0 HB1 ALA A 40 7.677 -10.699 -15.760 1.00 31.15 H new ATOM 0 HB2 ALA A 40 8.995 -11.361 -14.763 1.00 31.15 H new ATOM 0 HB3 ALA A 40 7.300 -11.629 -14.290 1.00 31.15 H new ATOM 581 N MET A 41 5.874 -9.192 -12.896 1.00 52.12 N ATOM 582 CA MET A 41 4.541 -8.606 -12.796 1.00 21.24 C ATOM 583 C MET A 41 4.622 -7.136 -12.398 1.00 73.45 C ATOM 584 O MET A 41 3.934 -6.289 -12.970 1.00 54.12 O ATOM 585 CB MET A 41 3.698 -9.377 -11.779 1.00 41.13 C ATOM 586 CG MET A 41 3.455 -10.827 -12.164 1.00 4.14 C ATOM 587 SD MET A 41 2.300 -10.997 -13.538 1.00 61.21 S ATOM 588 CE MET A 41 3.383 -11.634 -14.815 1.00 21.51 C ATOM 0 H MET A 41 6.140 -9.774 -12.102 1.00 52.12 H new ATOM 0 HA MET A 41 4.067 -8.673 -13.775 1.00 21.24 H new ATOM 0 HB2 MET A 41 4.195 -9.346 -10.809 1.00 41.13 H new ATOM 0 HB3 MET A 41 2.738 -8.875 -11.661 1.00 41.13 H new ATOM 0 HG2 MET A 41 4.404 -11.291 -12.433 1.00 4.14 H new ATOM 0 HG3 MET A 41 3.068 -11.368 -11.300 1.00 4.14 H new ATOM 0 HE1 MET A 41 2.813 -11.792 -15.730 1.00 21.51 H new ATOM 0 HE2 MET A 41 4.183 -10.918 -15.004 1.00 21.51 H new ATOM 0 HE3 MET A 41 3.813 -12.581 -14.488 1.00 21.51 H new ATOM 598 N LEU A 42 5.465 -6.839 -11.414 1.00 62.53 N ATOM 599 CA LEU A 42 5.634 -5.471 -10.939 1.00 71.33 C ATOM 600 C LEU A 42 6.303 -4.605 -12.002 1.00 71.51 C ATOM 601 O LEU A 42 6.064 -3.399 -12.078 1.00 62.33 O ATOM 602 CB LEU A 42 6.465 -5.455 -9.655 1.00 62.11 C ATOM 603 CG LEU A 42 5.681 -5.579 -8.347 1.00 34.00 C ATOM 604 CD1 LEU A 42 4.821 -4.345 -8.121 1.00 44.44 C ATOM 605 CD2 LEU A 42 4.824 -6.836 -8.356 1.00 3.41 C ATOM 0 H LEU A 42 6.041 -7.528 -10.930 1.00 62.53 H new ATOM 0 HA LEU A 42 4.646 -5.060 -10.730 1.00 71.33 H new ATOM 0 HB2 LEU A 42 7.186 -6.271 -9.702 1.00 62.11 H new ATOM 0 HB3 LEU A 42 7.036 -4.527 -9.627 1.00 62.11 H new ATOM 0 HG LEU A 42 6.392 -5.655 -7.525 1.00 34.00 H new ATOM 0 HD11 LEU A 42 4.271 -4.451 -7.186 1.00 44.44 H new ATOM 0 HD12 LEU A 42 5.458 -3.462 -8.069 1.00 44.44 H new ATOM 0 HD13 LEU A 42 4.117 -4.236 -8.946 1.00 44.44 H new ATOM 0 HD21 LEU A 42 4.274 -6.908 -7.418 1.00 3.41 H new ATOM 0 HD22 LEU A 42 4.120 -6.791 -9.187 1.00 3.41 H new ATOM 0 HD23 LEU A 42 5.463 -7.711 -8.469 1.00 3.41 H new ATOM 617 N THR A 43 7.143 -5.228 -12.823 1.00 13.10 N ATOM 618 CA THR A 43 7.847 -4.514 -13.882 1.00 64.52 C ATOM 619 C THR A 43 7.160 -4.715 -15.229 1.00 34.25 C ATOM 620 O THR A 43 7.812 -4.715 -16.273 1.00 54.04 O ATOM 621 CB THR A 43 9.312 -4.974 -13.991 1.00 3.11 C ATOM 622 OG1 THR A 43 10.004 -4.181 -14.962 1.00 61.15 O ATOM 623 CG2 THR A 43 9.391 -6.443 -14.379 1.00 5.21 C ATOM 0 H THR A 43 7.352 -6.225 -12.775 1.00 13.10 H new ATOM 0 HA THR A 43 7.826 -3.456 -13.620 1.00 64.52 H new ATOM 0 HB THR A 43 9.783 -4.846 -13.016 1.00 3.11 H new ATOM 0 HG1 THR A 43 9.476 -4.140 -15.787 1.00 61.15 H new ATOM 0 HG21 THR A 43 10.436 -6.745 -14.450 1.00 5.21 H new ATOM 0 HG22 THR A 43 8.889 -7.047 -13.623 1.00 5.21 H new ATOM 0 HG23 THR A 43 8.904 -6.591 -15.343 1.00 5.21 H new ATOM 631 N ASN A 44 5.844 -4.886 -15.197 1.00 63.43 N ATOM 632 CA ASN A 44 5.070 -5.089 -16.417 1.00 75.25 C ATOM 633 C ASN A 44 4.335 -3.811 -16.812 1.00 43.45 C ATOM 634 O ASN A 44 3.624 -3.776 -17.817 1.00 23.31 O ATOM 635 CB ASN A 44 4.067 -6.228 -16.227 1.00 30.44 C ATOM 636 CG ASN A 44 3.292 -6.534 -17.494 1.00 60.21 C ATOM 637 OD1 ASN A 44 3.789 -7.217 -18.389 1.00 13.03 O ATOM 638 ND2 ASN A 44 2.067 -6.028 -17.574 1.00 23.14 N ATOM 0 H ASN A 44 5.290 -4.888 -14.341 1.00 63.43 H new ATOM 0 HA ASN A 44 5.762 -5.353 -17.217 1.00 75.25 H new ATOM 0 HB2 ASN A 44 4.596 -7.124 -15.903 1.00 30.44 H new ATOM 0 HB3 ASN A 44 3.369 -5.965 -15.432 1.00 30.44 H new ATOM 0 HD21 ASN A 44 1.497 -6.200 -18.402 1.00 23.14 H new ATOM 0 HD22 ASN A 44 1.696 -5.467 -16.807 1.00 23.14 H new ATOM 718 N VAL A 49 0.058 3.176 -18.840 1.00 40.45 N ATOM 719 CA VAL A 49 -0.338 2.821 -17.483 1.00 65.51 C ATOM 720 C VAL A 49 -0.091 3.974 -16.517 1.00 50.42 C ATOM 721 O VAL A 49 -0.792 4.120 -15.514 1.00 13.33 O ATOM 722 CB VAL A 49 0.423 1.577 -16.984 1.00 42.15 C ATOM 723 CG1 VAL A 49 0.043 1.259 -15.546 1.00 44.43 C ATOM 724 CG2 VAL A 49 0.151 0.387 -17.892 1.00 3.31 C ATOM 0 HA VAL A 49 -1.405 2.599 -17.513 1.00 65.51 H new ATOM 0 HB VAL A 49 1.492 1.790 -17.013 1.00 42.15 H new ATOM 0 HG11 VAL A 49 0.590 0.378 -15.211 1.00 44.43 H new ATOM 0 HG12 VAL A 49 0.294 2.106 -14.908 1.00 44.43 H new ATOM 0 HG13 VAL A 49 -1.028 1.065 -15.487 1.00 44.43 H new ATOM 0 HG21 VAL A 49 0.696 -0.483 -17.525 1.00 3.31 H new ATOM 0 HG22 VAL A 49 -0.917 0.170 -17.897 1.00 3.31 H new ATOM 0 HG23 VAL A 49 0.479 0.620 -18.905 1.00 3.31 H new ATOM 734 N LEU A 50 0.908 4.793 -16.826 1.00 22.45 N ATOM 735 CA LEU A 50 1.249 5.936 -15.986 1.00 2.12 C ATOM 736 C LEU A 50 0.135 6.978 -16.007 1.00 63.51 C ATOM 737 O LEU A 50 0.027 7.805 -15.102 1.00 44.14 O ATOM 738 CB LEU A 50 2.562 6.566 -16.456 1.00 72.43 C ATOM 739 CG LEU A 50 3.729 5.603 -16.671 1.00 41.42 C ATOM 740 CD1 LEU A 50 4.875 6.304 -17.384 1.00 72.14 C ATOM 741 CD2 LEU A 50 4.197 5.027 -15.344 1.00 31.41 C ATOM 0 H LEU A 50 1.496 4.687 -17.652 1.00 22.45 H new ATOM 0 HA LEU A 50 1.370 5.581 -14.963 1.00 2.12 H new ATOM 0 HB2 LEU A 50 2.375 7.093 -17.392 1.00 72.43 H new ATOM 0 HB3 LEU A 50 2.865 7.315 -15.724 1.00 72.43 H new ATOM 0 HG LEU A 50 3.386 4.781 -17.299 1.00 41.42 H new ATOM 0 HD11 LEU A 50 5.697 5.603 -17.528 1.00 72.14 H new ATOM 0 HD12 LEU A 50 4.533 6.667 -18.353 1.00 72.14 H new ATOM 0 HD13 LEU A 50 5.218 7.146 -16.782 1.00 72.14 H new ATOM 0 HD21 LEU A 50 5.028 4.344 -15.517 1.00 31.41 H new ATOM 0 HD22 LEU A 50 4.523 5.836 -14.691 1.00 31.41 H new ATOM 0 HD23 LEU A 50 3.376 4.487 -14.872 1.00 31.41 H new ATOM 753 N LYS A 51 -0.693 6.930 -17.045 1.00 44.41 N ATOM 754 CA LYS A 51 -1.802 7.867 -17.184 1.00 15.53 C ATOM 755 C LYS A 51 -2.893 7.573 -16.160 1.00 44.24 C ATOM 756 O LYS A 51 -3.519 8.489 -15.626 1.00 24.32 O ATOM 757 CB LYS A 51 -2.381 7.797 -18.599 1.00 61.33 C ATOM 758 CG LYS A 51 -1.374 8.131 -19.686 1.00 62.14 C ATOM 759 CD LYS A 51 -1.977 9.041 -20.743 1.00 25.31 C ATOM 760 CE LYS A 51 -3.135 8.367 -21.465 1.00 23.43 C ATOM 761 NZ LYS A 51 -2.699 7.136 -22.183 1.00 75.14 N ATOM 0 H LYS A 51 -0.617 6.252 -17.803 1.00 44.41 H new ATOM 0 HA LYS A 51 -1.422 8.872 -17.004 1.00 15.53 H new ATOM 0 HB2 LYS A 51 -2.772 6.795 -18.773 1.00 61.33 H new ATOM 0 HB3 LYS A 51 -3.223 8.485 -18.672 1.00 61.33 H new ATOM 0 HG2 LYS A 51 -0.504 8.614 -19.241 1.00 62.14 H new ATOM 0 HG3 LYS A 51 -1.023 7.211 -20.154 1.00 62.14 H new ATOM 0 HD2 LYS A 51 -2.325 9.962 -20.276 1.00 25.31 H new ATOM 0 HD3 LYS A 51 -1.210 9.320 -21.465 1.00 25.31 H new ATOM 0 HE2 LYS A 51 -3.913 8.112 -20.745 1.00 23.43 H new ATOM 0 HE3 LYS A 51 -3.576 9.066 -22.176 1.00 23.43 H new ATOM 0 HZ1 LYS A 51 -3.456 6.820 -22.822 1.00 75.14 H new ATOM 0 HZ2 LYS A 51 -1.843 7.342 -22.736 1.00 75.14 H new ATOM 0 HZ3 LYS A 51 -2.493 6.386 -21.493 1.00 75.14 H new ATOM 775 N ALA A 52 -3.116 6.291 -15.891 1.00 24.52 N ATOM 776 CA ALA A 52 -4.130 5.877 -14.929 1.00 0.41 C ATOM 777 C ALA A 52 -3.797 6.383 -13.529 1.00 3.51 C ATOM 778 O ALA A 52 -4.675 6.845 -12.800 1.00 40.41 O ATOM 779 CB ALA A 52 -4.268 4.362 -14.926 1.00 14.24 C ATOM 0 H ALA A 52 -2.608 5.521 -16.326 1.00 24.52 H new ATOM 0 HA ALA A 52 -5.081 6.316 -15.229 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.029 4.067 -14.203 1.00 14.24 H new ATOM 0 HB2 ALA A 52 -4.560 4.021 -15.919 1.00 14.24 H new ATOM 0 HB3 ALA A 52 -3.314 3.910 -14.654 1.00 14.24 H new ATOM 785 N LEU A 53 -2.524 6.292 -13.160 1.00 34.10 N ATOM 786 CA LEU A 53 -2.075 6.740 -11.846 1.00 30.53 C ATOM 787 C LEU A 53 -2.428 8.207 -11.621 1.00 13.55 C ATOM 788 O LEU A 53 -2.540 8.660 -10.484 1.00 72.45 O ATOM 789 CB LEU A 53 -0.566 6.539 -11.705 1.00 25.34 C ATOM 790 CG LEU A 53 -0.031 5.165 -12.114 1.00 55.23 C ATOM 791 CD1 LEU A 53 1.476 5.100 -11.919 1.00 1.24 C ATOM 792 CD2 LEU A 53 -0.721 4.066 -11.320 1.00 63.12 C ATOM 0 H LEU A 53 -1.785 5.912 -13.752 1.00 34.10 H new ATOM 0 HA LEU A 53 -2.587 6.143 -11.091 1.00 30.53 H new ATOM 0 HB2 LEU A 53 -0.061 7.297 -12.304 1.00 25.34 H new ATOM 0 HB3 LEU A 53 -0.291 6.719 -10.666 1.00 25.34 H new ATOM 0 HG LEU A 53 -0.247 5.012 -13.171 1.00 55.23 H new ATOM 0 HD11 LEU A 53 1.839 4.116 -12.215 1.00 1.24 H new ATOM 0 HD12 LEU A 53 1.955 5.863 -12.532 1.00 1.24 H new ATOM 0 HD13 LEU A 53 1.715 5.275 -10.870 1.00 1.24 H new ATOM 0 HD21 LEU A 53 -0.328 3.096 -11.624 1.00 63.12 H new ATOM 0 HD22 LEU A 53 -0.536 4.215 -10.256 1.00 63.12 H new ATOM 0 HD23 LEU A 53 -1.794 4.099 -11.510 1.00 63.12 H new ATOM 804 N GLU A 54 -2.600 8.944 -12.715 1.00 25.44 N ATOM 805 CA GLU A 54 -2.940 10.358 -12.637 1.00 74.04 C ATOM 806 C GLU A 54 -4.219 10.567 -11.830 1.00 42.34 C ATOM 807 O GLU A 54 -4.250 11.360 -10.889 1.00 22.33 O ATOM 808 CB GLU A 54 -3.109 10.944 -14.040 1.00 12.44 C ATOM 809 CG GLU A 54 -1.883 10.775 -14.921 1.00 21.05 C ATOM 810 CD GLU A 54 -0.952 11.971 -14.862 1.00 22.45 C ATOM 811 OE1 GLU A 54 0.271 11.762 -14.715 1.00 12.13 O ATOM 812 OE2 GLU A 54 -1.444 13.113 -14.961 1.00 62.04 O ATOM 0 H GLU A 54 -2.509 8.584 -13.665 1.00 25.44 H new ATOM 0 HA GLU A 54 -2.123 10.873 -12.132 1.00 74.04 H new ATOM 0 HB2 GLU A 54 -3.962 10.468 -14.523 1.00 12.44 H new ATOM 0 HB3 GLU A 54 -3.342 12.005 -13.956 1.00 12.44 H new ATOM 0 HG2 GLU A 54 -1.340 9.881 -14.614 1.00 21.05 H new ATOM 0 HG3 GLU A 54 -2.200 10.617 -15.952 1.00 21.05 H new ATOM 820 N ARG A 55 -5.272 9.849 -12.206 1.00 43.13 N ATOM 821 CA ARG A 55 -6.554 9.957 -11.520 1.00 24.21 C ATOM 822 C ARG A 55 -6.465 9.385 -10.109 1.00 72.50 C ATOM 823 O ARG A 55 -7.140 9.854 -9.192 1.00 72.32 O ATOM 824 CB ARG A 55 -7.642 9.225 -12.309 1.00 3.42 C ATOM 825 CG ARG A 55 -8.913 8.981 -11.512 1.00 45.20 C ATOM 826 CD ARG A 55 -9.549 10.288 -11.064 1.00 3.12 C ATOM 827 NE ARG A 55 -10.916 10.428 -11.558 1.00 72.32 N ATOM 828 CZ ARG A 55 -11.654 11.519 -11.379 1.00 41.40 C ATOM 829 NH1 ARG A 55 -11.157 12.559 -10.724 1.00 31.55 N ATOM 830 NH2 ARG A 55 -12.890 11.571 -11.858 1.00 74.14 N ATOM 0 H ARG A 55 -5.263 9.187 -12.982 1.00 43.13 H new ATOM 0 HA ARG A 55 -6.812 11.014 -11.451 1.00 24.21 H new ATOM 0 HB2 ARG A 55 -7.887 9.806 -13.198 1.00 3.42 H new ATOM 0 HB3 ARG A 55 -7.249 8.268 -12.652 1.00 3.42 H new ATOM 0 HG2 ARG A 55 -9.623 8.419 -12.120 1.00 45.20 H new ATOM 0 HG3 ARG A 55 -8.685 8.368 -10.640 1.00 45.20 H new ATOM 0 HD2 ARG A 55 -9.550 10.336 -9.975 1.00 3.12 H new ATOM 0 HD3 ARG A 55 -8.947 11.125 -11.419 1.00 3.12 H new ATOM 0 HE ARG A 55 -11.327 9.646 -12.068 1.00 72.32 H new ATOM 0 HH11 ARG A 55 -10.206 12.523 -10.356 1.00 31.55 H new ATOM 0 HH12 ARG A 55 -11.725 13.395 -10.588 1.00 31.55 H new ATOM 0 HH21 ARG A 55 -13.275 10.773 -12.364 1.00 74.14 H new ATOM 0 HH22 ARG A 55 -13.456 12.409 -11.720 1.00 74.14 H new ATOM 844 N THR A 56 -5.626 8.367 -9.939 1.00 3.24 N ATOM 845 CA THR A 56 -5.449 7.730 -8.641 1.00 23.03 C ATOM 846 C THR A 56 -4.632 8.612 -7.703 1.00 21.11 C ATOM 847 O THR A 56 -4.827 8.589 -6.487 1.00 44.23 O ATOM 848 CB THR A 56 -4.753 6.362 -8.776 1.00 54.23 C ATOM 849 OG1 THR A 56 -3.347 6.545 -8.973 1.00 52.23 O ATOM 850 CG2 THR A 56 -5.336 5.572 -9.939 1.00 31.44 C ATOM 0 H THR A 56 -5.058 7.966 -10.686 1.00 3.24 H new ATOM 0 HA THR A 56 -6.445 7.583 -8.223 1.00 23.03 H new ATOM 0 HB THR A 56 -4.920 5.801 -7.856 1.00 54.23 H new ATOM 0 HG1 THR A 56 -3.189 7.394 -9.436 1.00 52.23 H new ATOM 0 HG21 THR A 56 -4.830 4.610 -10.015 1.00 31.44 H new ATOM 0 HG22 THR A 56 -6.401 5.409 -9.771 1.00 31.44 H new ATOM 0 HG23 THR A 56 -5.196 6.130 -10.865 1.00 31.44 H new ATOM 858 N ARG A 57 -3.718 9.389 -8.275 1.00 0.03 N ATOM 859 CA ARG A 57 -2.871 10.278 -7.489 1.00 21.41 C ATOM 860 C ARG A 57 -3.692 11.408 -6.874 1.00 41.12 C ATOM 861 O ARG A 57 -3.425 11.845 -5.756 1.00 75.22 O ATOM 862 CB ARG A 57 -1.757 10.859 -8.361 1.00 4.33 C ATOM 863 CG ARG A 57 -0.566 9.929 -8.527 1.00 61.42 C ATOM 864 CD ARG A 57 0.066 10.075 -9.902 1.00 1.44 C ATOM 865 NE ARG A 57 -0.007 11.448 -10.395 1.00 4.24 N ATOM 866 CZ ARG A 57 0.705 12.449 -9.890 1.00 62.33 C ATOM 867 NH1 ARG A 57 1.539 12.232 -8.882 1.00 43.13 N ATOM 868 NH2 ARG A 57 0.583 13.671 -10.393 1.00 13.23 N ATOM 0 H ARG A 57 -3.545 9.421 -9.280 1.00 0.03 H new ATOM 0 HA ARG A 57 -2.425 9.695 -6.683 1.00 21.41 H new ATOM 0 HB2 ARG A 57 -2.163 11.095 -9.345 1.00 4.33 H new ATOM 0 HB3 ARG A 57 -1.416 11.797 -7.923 1.00 4.33 H new ATOM 0 HG2 ARG A 57 0.176 10.146 -7.759 1.00 61.42 H new ATOM 0 HG3 ARG A 57 -0.885 8.897 -8.379 1.00 61.42 H new ATOM 0 HD2 ARG A 57 1.109 9.761 -9.857 1.00 1.44 H new ATOM 0 HD3 ARG A 57 -0.437 9.410 -10.605 1.00 1.44 H new ATOM 0 HE ARG A 57 -0.639 11.649 -11.170 1.00 4.24 H new ATOM 0 HH11 ARG A 57 1.635 11.294 -8.492 1.00 43.13 H new ATOM 0 HH12 ARG A 57 2.084 13.003 -8.496 1.00 43.13 H new ATOM 0 HH21 ARG A 57 -0.058 13.842 -11.168 1.00 13.23 H new ATOM 0 HH22 ARG A 57 1.130 14.439 -10.005 1.00 13.23 H new ATOM 882 N GLN A 58 -4.693 11.876 -7.614 1.00 4.14 N ATOM 883 CA GLN A 58 -5.552 12.956 -7.143 1.00 31.15 C ATOM 884 C GLN A 58 -6.379 12.507 -5.943 1.00 40.45 C ATOM 885 O GLN A 58 -6.635 13.289 -5.025 1.00 22.34 O ATOM 886 CB GLN A 58 -6.474 13.429 -8.267 1.00 50.24 C ATOM 887 CG GLN A 58 -5.738 13.809 -9.541 1.00 12.24 C ATOM 888 CD GLN A 58 -4.343 14.340 -9.272 1.00 75.41 C ATOM 889 OE1 GLN A 58 -4.168 15.507 -8.919 1.00 41.51 O ATOM 890 NE2 GLN A 58 -3.341 13.485 -9.436 1.00 32.33 N ATOM 0 H GLN A 58 -4.929 11.524 -8.542 1.00 4.14 H new ATOM 0 HA GLN A 58 -4.916 13.785 -6.833 1.00 31.15 H new ATOM 0 HB2 GLN A 58 -7.191 12.640 -8.494 1.00 50.24 H new ATOM 0 HB3 GLN A 58 -7.046 14.289 -7.918 1.00 50.24 H new ATOM 0 HG2 GLN A 58 -5.672 12.937 -10.192 1.00 12.24 H new ATOM 0 HG3 GLN A 58 -6.313 14.564 -10.077 1.00 12.24 H new ATOM 0 HE21 GLN A 58 -3.531 12.527 -9.730 1.00 32.33 H new ATOM 0 HE22 GLN A 58 -2.381 13.786 -9.268 1.00 32.33 H new ATOM 899 N LEU A 59 -6.797 11.247 -5.957 1.00 62.03 N ATOM 900 CA LEU A 59 -7.598 10.694 -4.869 1.00 53.43 C ATOM 901 C LEU A 59 -6.705 10.134 -3.766 1.00 4.31 C ATOM 902 O LEU A 59 -7.188 9.517 -2.817 1.00 63.32 O ATOM 903 CB LEU A 59 -8.524 9.597 -5.398 1.00 75.03 C ATOM 904 CG LEU A 59 -9.268 9.915 -6.696 1.00 75.12 C ATOM 905 CD1 LEU A 59 -9.579 8.637 -7.459 1.00 60.42 C ATOM 906 CD2 LEU A 59 -10.545 10.689 -6.403 1.00 60.53 C ATOM 0 H LEU A 59 -6.595 10.588 -6.709 1.00 62.03 H new ATOM 0 HA LEU A 59 -8.201 11.499 -4.449 1.00 53.43 H new ATOM 0 HB2 LEU A 59 -7.933 8.694 -5.553 1.00 75.03 H new ATOM 0 HB3 LEU A 59 -9.260 9.368 -4.627 1.00 75.03 H new ATOM 0 HG LEU A 59 -8.625 10.538 -7.318 1.00 75.12 H new ATOM 0 HD11 LEU A 59 -10.108 8.883 -8.380 1.00 60.42 H new ATOM 0 HD12 LEU A 59 -8.649 8.122 -7.701 1.00 60.42 H new ATOM 0 HD13 LEU A 59 -10.203 7.989 -6.844 1.00 60.42 H new ATOM 0 HD21 LEU A 59 -11.061 10.907 -7.338 1.00 60.53 H new ATOM 0 HD22 LEU A 59 -11.193 10.092 -5.761 1.00 60.53 H new ATOM 0 HD23 LEU A 59 -10.297 11.623 -5.900 1.00 60.53 H new ATOM 918 N ASP A 60 -5.402 10.355 -3.899 1.00 21.41 N ATOM 919 CA ASP A 60 -4.442 9.874 -2.912 1.00 35.11 C ATOM 920 C ASP A 60 -4.405 8.349 -2.886 1.00 13.21 C ATOM 921 O ASP A 60 -4.948 7.721 -1.976 1.00 72.33 O ATOM 922 CB ASP A 60 -4.793 10.412 -1.523 1.00 13.42 C ATOM 923 CG ASP A 60 -5.228 11.864 -1.558 1.00 65.05 C ATOM 924 OD1 ASP A 60 -6.448 12.120 -1.475 1.00 60.40 O ATOM 925 OD2 ASP A 60 -4.351 12.744 -1.668 1.00 15.54 O ATOM 0 H ASP A 60 -4.986 10.863 -4.679 1.00 21.41 H new ATOM 0 HA ASP A 60 -3.454 10.238 -3.196 1.00 35.11 H new ATOM 0 HB2 ASP A 60 -5.591 9.807 -1.093 1.00 13.42 H new ATOM 0 HB3 ASP A 60 -3.928 10.311 -0.868 1.00 13.42 H new ATOM 931 N ILE A 61 -3.763 7.761 -3.889 1.00 42.13 N ATOM 932 CA ILE A 61 -3.657 6.310 -3.981 1.00 54.24 C ATOM 933 C ILE A 61 -2.252 5.888 -4.395 1.00 25.15 C ATOM 934 O ILE A 61 -1.681 6.400 -5.359 1.00 14.43 O ATOM 935 CB ILE A 61 -4.672 5.734 -4.986 1.00 30.34 C ATOM 936 CG1 ILE A 61 -6.056 6.342 -4.752 1.00 63.10 C ATOM 937 CG2 ILE A 61 -4.727 4.217 -4.872 1.00 70.01 C ATOM 938 CD1 ILE A 61 -7.059 5.994 -5.830 1.00 2.11 C ATOM 0 H ILE A 61 -3.308 8.267 -4.649 1.00 42.13 H new ATOM 0 HA ILE A 61 -3.876 5.913 -2.990 1.00 54.24 H new ATOM 0 HB ILE A 61 -4.349 5.992 -5.995 1.00 30.34 H new ATOM 0 HG12 ILE A 61 -6.436 6.000 -3.789 1.00 63.10 H new ATOM 0 HG13 ILE A 61 -5.962 7.426 -4.691 1.00 63.10 H new ATOM 0 HG21 ILE A 61 -5.449 3.824 -5.588 1.00 70.01 H new ATOM 0 HG22 ILE A 61 -3.742 3.800 -5.083 1.00 70.01 H new ATOM 0 HG23 ILE A 61 -5.030 3.939 -3.863 1.00 70.01 H new ATOM 0 HD11 ILE A 61 -8.018 6.459 -5.599 1.00 2.11 H new ATOM 0 HD12 ILE A 61 -6.701 6.360 -6.792 1.00 2.11 H new ATOM 0 HD13 ILE A 61 -7.182 4.912 -5.877 1.00 2.11 H new ATOM 950 N PRO A 62 -1.679 4.928 -3.653 1.00 33.02 N ATOM 951 CA PRO A 62 -0.334 4.413 -3.926 1.00 74.24 C ATOM 952 C PRO A 62 -0.277 3.590 -5.208 1.00 53.41 C ATOM 953 O PRO A 62 -1.186 2.813 -5.498 1.00 24.43 O ATOM 954 CB PRO A 62 -0.039 3.531 -2.711 1.00 72.40 C ATOM 955 CG PRO A 62 -1.380 3.118 -2.207 1.00 11.22 C ATOM 956 CD PRO A 62 -2.301 4.273 -2.490 1.00 4.43 C ATOM 0 HA PRO A 62 0.388 5.216 -4.072 1.00 74.24 H new ATOM 0 HB2 PRO A 62 0.564 2.666 -2.987 1.00 72.40 H new ATOM 0 HB3 PRO A 62 0.518 4.078 -1.951 1.00 72.40 H new ATOM 0 HG2 PRO A 62 -1.724 2.213 -2.708 1.00 11.22 H new ATOM 0 HG3 PRO A 62 -1.345 2.898 -1.140 1.00 11.22 H new ATOM 0 HD2 PRO A 62 -3.313 3.935 -2.713 1.00 4.43 H new ATOM 0 HD3 PRO A 62 -2.371 4.949 -1.638 1.00 4.43 H new ATOM 964 N ASP A 63 0.796 3.767 -5.972 1.00 71.13 N ATOM 965 CA ASP A 63 0.971 3.039 -7.223 1.00 30.42 C ATOM 966 C ASP A 63 1.179 1.551 -6.961 1.00 31.11 C ATOM 967 O ASP A 63 1.152 0.739 -7.885 1.00 5.53 O ATOM 968 CB ASP A 63 2.160 3.603 -8.004 1.00 70.33 C ATOM 969 CG ASP A 63 2.116 5.115 -8.112 1.00 63.23 C ATOM 970 OD1 ASP A 63 1.013 5.663 -8.322 1.00 4.13 O ATOM 971 OD2 ASP A 63 3.184 5.750 -7.987 1.00 72.54 O ATOM 0 H ASP A 63 1.557 4.408 -5.747 1.00 71.13 H new ATOM 0 HA ASP A 63 0.065 3.162 -7.816 1.00 30.42 H new ATOM 0 HB2 ASP A 63 3.087 3.303 -7.516 1.00 70.33 H new ATOM 0 HB3 ASP A 63 2.172 3.170 -9.004 1.00 70.33 H new ATOM 977 N GLU A 64 1.389 1.201 -5.696 1.00 42.22 N ATOM 978 CA GLU A 64 1.603 -0.190 -5.314 1.00 31.51 C ATOM 979 C GLU A 64 0.289 -0.964 -5.317 1.00 73.54 C ATOM 980 O GLU A 64 0.260 -2.162 -5.599 1.00 70.53 O ATOM 981 CB GLU A 64 2.250 -0.268 -3.930 1.00 51.31 C ATOM 982 CG GLU A 64 3.434 0.669 -3.757 1.00 43.52 C ATOM 983 CD GLU A 64 4.090 0.537 -2.397 1.00 34.10 C ATOM 984 OE1 GLU A 64 4.504 1.573 -1.836 1.00 74.10 O ATOM 985 OE2 GLU A 64 4.190 -0.601 -1.894 1.00 63.42 O ATOM 0 H GLU A 64 1.416 1.861 -4.919 1.00 42.22 H new ATOM 0 HA GLU A 64 2.272 -0.642 -6.046 1.00 31.51 H new ATOM 0 HB2 GLU A 64 1.500 -0.035 -3.174 1.00 51.31 H new ATOM 0 HB3 GLU A 64 2.578 -1.292 -3.749 1.00 51.31 H new ATOM 0 HG2 GLU A 64 4.171 0.463 -4.533 1.00 43.52 H new ATOM 0 HG3 GLU A 64 3.102 1.698 -3.897 1.00 43.52 H new ATOM 993 N LYS A 65 -0.801 -0.271 -5.001 1.00 14.11 N ATOM 994 CA LYS A 65 -2.120 -0.891 -4.966 1.00 13.32 C ATOM 995 C LYS A 65 -2.894 -0.591 -6.246 1.00 63.52 C ATOM 996 O LYS A 65 -3.788 -1.345 -6.635 1.00 72.50 O ATOM 997 CB LYS A 65 -2.908 -0.394 -3.752 1.00 43.22 C ATOM 998 CG LYS A 65 -3.581 0.950 -3.971 1.00 14.14 C ATOM 999 CD LYS A 65 -4.220 1.469 -2.694 1.00 64.50 C ATOM 1000 CE LYS A 65 -5.322 0.540 -2.206 1.00 11.42 C ATOM 1001 NZ LYS A 65 -4.885 -0.271 -1.036 1.00 63.51 N ATOM 0 H LYS A 65 -0.796 0.721 -4.765 1.00 14.11 H new ATOM 0 HA LYS A 65 -1.986 -1.970 -4.887 1.00 13.32 H new ATOM 0 HB2 LYS A 65 -3.667 -1.133 -3.495 1.00 43.22 H new ATOM 0 HB3 LYS A 65 -2.234 -0.319 -2.898 1.00 43.22 H new ATOM 0 HG2 LYS A 65 -2.847 1.671 -4.331 1.00 14.14 H new ATOM 0 HG3 LYS A 65 -4.341 0.855 -4.747 1.00 14.14 H new ATOM 0 HD2 LYS A 65 -3.459 1.571 -1.920 1.00 64.50 H new ATOM 0 HD3 LYS A 65 -4.631 2.463 -2.869 1.00 64.50 H new ATOM 0 HE2 LYS A 65 -6.199 1.128 -1.934 1.00 11.42 H new ATOM 0 HE3 LYS A 65 -5.623 -0.124 -3.016 1.00 11.42 H new ATOM 0 HZ1 LYS A 65 -5.711 -0.512 -0.452 1.00 63.51 H new ATOM 0 HZ2 LYS A 65 -4.430 -1.145 -1.370 1.00 63.51 H new ATOM 0 HZ3 LYS A 65 -4.207 0.276 -0.468 1.00 63.51 H new ATOM 1015 N THR A 66 -2.546 0.514 -6.898 1.00 41.24 N ATOM 1016 CA THR A 66 -3.209 0.913 -8.134 1.00 72.33 C ATOM 1017 C THR A 66 -2.755 0.048 -9.305 1.00 75.44 C ATOM 1018 O THR A 66 -3.514 -0.187 -10.244 1.00 63.13 O ATOM 1019 CB THR A 66 -2.935 2.392 -8.466 1.00 64.22 C ATOM 1020 OG1 THR A 66 -3.377 3.226 -7.389 1.00 43.05 O ATOM 1021 CG2 THR A 66 -3.640 2.797 -9.752 1.00 61.51 C ATOM 0 H THR A 66 -1.809 1.149 -6.591 1.00 41.24 H new ATOM 0 HA THR A 66 -4.279 0.776 -7.978 1.00 72.33 H new ATOM 0 HB THR A 66 -1.861 2.518 -8.604 1.00 64.22 H new ATOM 0 HG1 THR A 66 -2.658 3.316 -6.729 1.00 43.05 H new ATOM 0 HG21 THR A 66 -3.432 3.845 -9.966 1.00 61.51 H new ATOM 0 HG22 THR A 66 -3.279 2.180 -10.575 1.00 61.51 H new ATOM 0 HG23 THR A 66 -4.715 2.656 -9.638 1.00 61.51 H new ATOM 1029 N MET A 67 -1.514 -0.423 -9.241 1.00 54.14 N ATOM 1030 CA MET A 67 -0.961 -1.264 -10.296 1.00 51.02 C ATOM 1031 C MET A 67 -1.913 -2.406 -10.636 1.00 20.23 C ATOM 1032 O MET A 67 -2.365 -2.553 -11.772 1.00 73.43 O ATOM 1033 CB MET A 67 0.397 -1.825 -9.871 1.00 63.34 C ATOM 1034 CG MET A 67 1.564 -1.251 -10.656 1.00 11.13 C ATOM 1035 SD MET A 67 1.722 -1.979 -12.298 1.00 52.23 S ATOM 1036 CE MET A 67 0.696 -0.870 -13.261 1.00 71.33 C ATOM 0 H MET A 67 -0.873 -0.237 -8.470 1.00 54.14 H new ATOM 0 HA MET A 67 -0.829 -0.648 -11.186 1.00 51.02 H new ATOM 0 HB2 MET A 67 0.549 -1.623 -8.811 1.00 63.34 H new ATOM 0 HB3 MET A 67 0.387 -2.908 -9.991 1.00 63.34 H new ATOM 0 HG2 MET A 67 1.437 -0.173 -10.752 1.00 11.13 H new ATOM 0 HG3 MET A 67 2.487 -1.415 -10.100 1.00 11.13 H new ATOM 0 HE1 MET A 67 1.063 -0.833 -14.287 1.00 71.33 H new ATOM 0 HE2 MET A 67 -0.333 -1.230 -13.257 1.00 71.33 H new ATOM 0 HE3 MET A 67 0.733 0.129 -12.826 1.00 71.33 H new ATOM 1046 N PRO A 68 -2.226 -3.236 -9.629 1.00 3.30 N ATOM 1047 CA PRO A 68 -3.127 -4.380 -9.798 1.00 74.41 C ATOM 1048 C PRO A 68 -4.573 -3.950 -10.024 1.00 21.52 C ATOM 1049 O PRO A 68 -5.407 -4.747 -10.454 1.00 74.24 O ATOM 1050 CB PRO A 68 -2.993 -5.135 -8.473 1.00 72.33 C ATOM 1051 CG PRO A 68 -2.576 -4.099 -7.487 1.00 14.53 C ATOM 1052 CD PRO A 68 -1.724 -3.121 -8.250 1.00 20.41 C ATOM 0 HA PRO A 68 -2.869 -4.978 -10.672 1.00 74.41 H new ATOM 0 HB2 PRO A 68 -3.936 -5.599 -8.185 1.00 72.33 H new ATOM 0 HB3 PRO A 68 -2.254 -5.933 -8.545 1.00 72.33 H new ATOM 0 HG2 PRO A 68 -3.443 -3.604 -7.051 1.00 14.53 H new ATOM 0 HG3 PRO A 68 -2.017 -4.545 -6.665 1.00 14.53 H new ATOM 0 HD2 PRO A 68 -1.834 -2.107 -7.866 1.00 20.41 H new ATOM 0 HD3 PRO A 68 -0.666 -3.374 -8.185 1.00 20.41 H new ATOM 1060 N VAL A 69 -4.862 -2.687 -9.730 1.00 52.45 N ATOM 1061 CA VAL A 69 -6.207 -2.151 -9.903 1.00 63.44 C ATOM 1062 C VAL A 69 -6.466 -1.772 -11.356 1.00 53.22 C ATOM 1063 O VAL A 69 -7.475 -2.165 -11.943 1.00 25.33 O ATOM 1064 CB VAL A 69 -6.438 -0.916 -9.012 1.00 51.45 C ATOM 1065 CG1 VAL A 69 -7.706 -0.185 -9.429 1.00 3.34 C ATOM 1066 CG2 VAL A 69 -6.503 -1.320 -7.547 1.00 30.13 C ATOM 0 H VAL A 69 -4.183 -2.016 -9.371 1.00 52.45 H new ATOM 0 HA VAL A 69 -6.901 -2.938 -9.608 1.00 63.44 H new ATOM 0 HB VAL A 69 -5.596 -0.235 -9.140 1.00 51.45 H new ATOM 0 HG11 VAL A 69 -7.852 0.684 -8.788 1.00 3.34 H new ATOM 0 HG12 VAL A 69 -7.615 0.140 -10.466 1.00 3.34 H new ATOM 0 HG13 VAL A 69 -8.561 -0.855 -9.332 1.00 3.34 H new ATOM 0 HG21 VAL A 69 -6.667 -0.435 -6.932 1.00 30.13 H new ATOM 0 HG22 VAL A 69 -7.324 -2.021 -7.399 1.00 30.13 H new ATOM 0 HG23 VAL A 69 -5.565 -1.794 -7.258 1.00 30.13 H new ATOM 1076 N LEU A 70 -5.548 -1.005 -11.934 1.00 22.23 N ATOM 1077 CA LEU A 70 -5.676 -0.572 -13.321 1.00 11.14 C ATOM 1078 C LEU A 70 -5.503 -1.749 -14.277 1.00 60.25 C ATOM 1079 O LEU A 70 -6.209 -1.854 -15.280 1.00 64.22 O ATOM 1080 CB LEU A 70 -4.641 0.510 -13.635 1.00 2.44 C ATOM 1081 CG LEU A 70 -3.181 0.054 -13.667 1.00 41.22 C ATOM 1082 CD1 LEU A 70 -2.760 -0.288 -15.088 1.00 13.54 C ATOM 1083 CD2 LEU A 70 -2.274 1.127 -13.084 1.00 61.14 C ATOM 0 H LEU A 70 -4.707 -0.670 -11.464 1.00 22.23 H new ATOM 0 HA LEU A 70 -6.676 -0.161 -13.457 1.00 11.14 H new ATOM 0 HB2 LEU A 70 -4.885 0.948 -14.603 1.00 2.44 H new ATOM 0 HB3 LEU A 70 -4.737 1.303 -12.893 1.00 2.44 H new ATOM 0 HG LEU A 70 -3.087 -0.844 -13.056 1.00 41.22 H new ATOM 0 HD11 LEU A 70 -1.719 -0.610 -15.091 1.00 13.54 H new ATOM 0 HD12 LEU A 70 -3.390 -1.091 -15.471 1.00 13.54 H new ATOM 0 HD13 LEU A 70 -2.869 0.592 -15.722 1.00 13.54 H new ATOM 0 HD21 LEU A 70 -1.239 0.785 -13.115 1.00 61.14 H new ATOM 0 HD22 LEU A 70 -2.371 2.042 -13.668 1.00 61.14 H new ATOM 0 HD23 LEU A 70 -2.560 1.324 -12.051 1.00 61.14 H new ATOM 1095 N MET A 71 -4.563 -2.631 -13.957 1.00 44.34 N ATOM 1096 CA MET A 71 -4.302 -3.803 -14.786 1.00 12.20 C ATOM 1097 C MET A 71 -5.467 -4.785 -14.722 1.00 61.52 C ATOM 1098 O MET A 71 -5.658 -5.598 -15.627 1.00 61.44 O ATOM 1099 CB MET A 71 -3.013 -4.493 -14.339 1.00 20.25 C ATOM 1100 CG MET A 71 -3.193 -5.390 -13.126 1.00 34.33 C ATOM 1101 SD MET A 71 -3.447 -7.119 -13.572 1.00 72.33 S ATOM 1102 CE MET A 71 -1.845 -7.531 -14.257 1.00 2.21 C ATOM 0 H MET A 71 -3.969 -2.557 -13.131 1.00 44.34 H new ATOM 0 HA MET A 71 -4.188 -3.469 -15.817 1.00 12.20 H new ATOM 0 HB2 MET A 71 -2.623 -5.087 -15.165 1.00 20.25 H new ATOM 0 HB3 MET A 71 -2.264 -3.734 -14.111 1.00 20.25 H new ATOM 0 HG2 MET A 71 -2.315 -5.309 -12.486 1.00 34.33 H new ATOM 0 HG3 MET A 71 -4.045 -5.040 -12.543 1.00 34.33 H new ATOM 0 HE1 MET A 71 -1.654 -8.595 -14.120 1.00 2.21 H new ATOM 0 HE2 MET A 71 -1.832 -7.293 -15.321 1.00 2.21 H new ATOM 0 HE3 MET A 71 -1.072 -6.955 -13.747 1.00 2.21 H new ATOM 1112 N LYS A 72 -6.244 -4.705 -13.647 1.00 3.03 N ATOM 1113 CA LYS A 72 -7.391 -5.586 -13.464 1.00 71.30 C ATOM 1114 C LYS A 72 -8.456 -5.321 -14.524 1.00 14.24 C ATOM 1115 O LYS A 72 -9.190 -6.226 -14.921 1.00 32.50 O ATOM 1116 CB LYS A 72 -7.989 -5.397 -12.068 1.00 14.11 C ATOM 1117 CG LYS A 72 -9.293 -6.145 -11.857 1.00 21.02 C ATOM 1118 CD LYS A 72 -9.451 -6.596 -10.414 1.00 50.44 C ATOM 1119 CE LYS A 72 -8.549 -7.779 -10.099 1.00 23.51 C ATOM 1120 NZ LYS A 72 -8.165 -7.815 -8.660 1.00 2.30 N ATOM 0 H LYS A 72 -6.100 -4.038 -12.889 1.00 3.03 H new ATOM 0 HA LYS A 72 -7.046 -6.615 -13.569 1.00 71.30 H new ATOM 0 HB2 LYS A 72 -7.265 -5.730 -11.324 1.00 14.11 H new ATOM 0 HB3 LYS A 72 -8.158 -4.334 -11.895 1.00 14.11 H new ATOM 0 HG2 LYS A 72 -10.130 -5.503 -12.132 1.00 21.02 H new ATOM 0 HG3 LYS A 72 -9.326 -7.013 -12.516 1.00 21.02 H new ATOM 0 HD2 LYS A 72 -9.215 -5.769 -9.745 1.00 50.44 H new ATOM 0 HD3 LYS A 72 -10.490 -6.869 -10.229 1.00 50.44 H new ATOM 0 HE2 LYS A 72 -9.060 -8.705 -10.362 1.00 23.51 H new ATOM 0 HE3 LYS A 72 -7.650 -7.725 -10.714 1.00 23.51 H new ATOM 0 HZ1 LYS A 72 -7.550 -8.635 -8.485 1.00 2.30 H new ATOM 0 HZ2 LYS A 72 -7.656 -6.942 -8.415 1.00 2.30 H new ATOM 0 HZ3 LYS A 72 -9.021 -7.893 -8.074 1.00 2.30 H new ATOM 1134 N LEU A 73 -8.532 -4.075 -14.979 1.00 63.42 N ATOM 1135 CA LEU A 73 -9.506 -3.691 -15.995 1.00 70.24 C ATOM 1136 C LEU A 73 -8.990 -4.013 -17.394 1.00 55.53 C ATOM 1137 O LEU A 73 -9.728 -4.521 -18.238 1.00 24.42 O ATOM 1138 CB LEU A 73 -9.824 -2.198 -15.886 1.00 62.03 C ATOM 1139 CG LEU A 73 -9.792 -1.606 -14.477 1.00 72.32 C ATOM 1140 CD1 LEU A 73 -9.968 -0.096 -14.528 1.00 5.22 C ATOM 1141 CD2 LEU A 73 -10.869 -2.241 -13.607 1.00 50.52 C ATOM 0 H LEU A 73 -7.932 -3.314 -14.661 1.00 63.42 H new ATOM 0 HA LEU A 73 -10.418 -4.264 -15.824 1.00 70.24 H new ATOM 0 HB2 LEU A 73 -9.114 -1.650 -16.505 1.00 62.03 H new ATOM 0 HB3 LEU A 73 -10.814 -2.026 -16.308 1.00 62.03 H new ATOM 0 HG LEU A 73 -8.820 -1.823 -14.034 1.00 72.32 H new ATOM 0 HD11 LEU A 73 -9.943 0.308 -13.516 1.00 5.22 H new ATOM 0 HD12 LEU A 73 -9.162 0.345 -15.115 1.00 5.22 H new ATOM 0 HD13 LEU A 73 -10.926 0.143 -14.990 1.00 5.22 H new ATOM 0 HD21 LEU A 73 -10.832 -1.808 -12.608 1.00 50.52 H new ATOM 0 HD22 LEU A 73 -11.849 -2.055 -14.047 1.00 50.52 H new ATOM 0 HD23 LEU A 73 -10.698 -3.316 -13.543 1.00 50.52 H new ATOM 1153 N LEU A 74 -7.718 -3.713 -17.632 1.00 75.11 N ATOM 1154 CA LEU A 74 -7.101 -3.972 -18.928 1.00 41.22 C ATOM 1155 C LEU A 74 -6.898 -5.468 -19.145 1.00 43.33 C ATOM 1156 O LEU A 74 -6.815 -5.933 -20.282 1.00 61.03 O ATOM 1157 CB LEU A 74 -5.760 -3.243 -19.032 1.00 70.21 C ATOM 1158 CG LEU A 74 -5.806 -1.724 -18.863 1.00 32.00 C ATOM 1159 CD1 LEU A 74 -4.751 -1.266 -17.868 1.00 71.03 C ATOM 1160 CD2 LEU A 74 -5.614 -1.032 -20.205 1.00 32.54 C ATOM 0 H LEU A 74 -7.094 -3.290 -16.945 1.00 75.11 H new ATOM 0 HA LEU A 74 -7.771 -3.599 -19.703 1.00 41.22 H new ATOM 0 HB2 LEU A 74 -5.088 -3.652 -18.278 1.00 70.21 H new ATOM 0 HB3 LEU A 74 -5.322 -3.467 -20.005 1.00 70.21 H new ATOM 0 HG LEU A 74 -6.786 -1.450 -18.473 1.00 32.00 H new ATOM 0 HD11 LEU A 74 -4.798 -0.182 -17.760 1.00 71.03 H new ATOM 0 HD12 LEU A 74 -4.935 -1.735 -16.901 1.00 71.03 H new ATOM 0 HD13 LEU A 74 -3.763 -1.552 -18.228 1.00 71.03 H new ATOM 0 HD21 LEU A 74 -5.650 0.048 -20.066 1.00 32.54 H new ATOM 0 HD22 LEU A 74 -4.647 -1.312 -20.624 1.00 32.54 H new ATOM 0 HD23 LEU A 74 -6.407 -1.336 -20.888 1.00 32.54 H new ATOM 1172 N GLU A 75 -6.821 -6.215 -18.049 1.00 2.20 N ATOM 1173 CA GLU A 75 -6.630 -7.659 -18.121 1.00 14.53 C ATOM 1174 C GLU A 75 -7.851 -8.339 -18.732 1.00 23.14 C ATOM 1175 O GLU A 75 -7.733 -9.112 -19.683 1.00 15.12 O ATOM 1176 CB GLU A 75 -6.358 -8.229 -16.728 1.00 35.31 C ATOM 1177 CG GLU A 75 -4.879 -8.353 -16.399 1.00 71.10 C ATOM 1178 CD GLU A 75 -4.140 -9.256 -17.367 1.00 71.21 C ATOM 1179 OE1 GLU A 75 -3.260 -8.750 -18.094 1.00 3.12 O ATOM 1180 OE2 GLU A 75 -4.442 -10.467 -17.398 1.00 1.05 O ATOM 0 H GLU A 75 -6.888 -5.845 -17.101 1.00 2.20 H new ATOM 0 HA GLU A 75 -5.769 -7.855 -18.760 1.00 14.53 H new ATOM 0 HB2 GLU A 75 -6.835 -7.591 -15.984 1.00 35.31 H new ATOM 0 HB3 GLU A 75 -6.823 -9.212 -16.650 1.00 35.31 H new ATOM 0 HG2 GLU A 75 -4.424 -7.363 -16.412 1.00 71.10 H new ATOM 0 HG3 GLU A 75 -4.767 -8.742 -15.387 1.00 71.10 H new ATOM 1188 N GLU A 76 -9.023 -8.048 -18.177 1.00 42.15 N ATOM 1189 CA GLU A 76 -10.266 -8.633 -18.666 1.00 64.41 C ATOM 1190 C GLU A 76 -10.723 -7.945 -19.950 1.00 63.32 C ATOM 1191 O GLU A 76 -11.216 -8.593 -20.872 1.00 24.21 O ATOM 1192 CB GLU A 76 -11.360 -8.528 -17.601 1.00 11.44 C ATOM 1193 CG GLU A 76 -10.979 -9.162 -16.274 1.00 72.41 C ATOM 1194 CD GLU A 76 -12.135 -9.201 -15.293 1.00 22.42 C ATOM 1195 OE1 GLU A 76 -13.289 -9.011 -15.730 1.00 41.31 O ATOM 1196 OE2 GLU A 76 -11.885 -9.422 -14.090 1.00 52.03 O ATOM 0 H GLU A 76 -9.138 -7.411 -17.389 1.00 42.15 H new ATOM 0 HA GLU A 76 -10.081 -9.685 -18.883 1.00 64.41 H new ATOM 0 HB2 GLU A 76 -11.597 -7.477 -17.437 1.00 11.44 H new ATOM 0 HB3 GLU A 76 -12.266 -9.004 -17.975 1.00 11.44 H new ATOM 0 HG2 GLU A 76 -10.622 -10.177 -16.450 1.00 72.41 H new ATOM 0 HG3 GLU A 76 -10.152 -8.605 -15.834 1.00 72.41 H new ATOM 1204 N ALA A 77 -10.556 -6.628 -20.000 1.00 54.11 N ATOM 1205 CA ALA A 77 -10.949 -5.852 -21.169 1.00 43.42 C ATOM 1206 C ALA A 77 -9.970 -6.058 -22.320 1.00 55.32 C ATOM 1207 O ALA A 77 -10.243 -5.674 -23.456 1.00 61.33 O ATOM 1208 CB ALA A 77 -11.047 -4.376 -20.814 1.00 14.52 C ATOM 0 H ALA A 77 -10.151 -6.076 -19.244 1.00 54.11 H new ATOM 0 HA ALA A 77 -11.929 -6.202 -21.494 1.00 43.42 H new ATOM 0 HB1 ALA A 77 -11.341 -3.808 -21.697 1.00 14.52 H new ATOM 0 HB2 ALA A 77 -11.791 -4.239 -20.030 1.00 14.52 H new ATOM 0 HB3 ALA A 77 -10.079 -4.022 -20.461 1.00 14.52 H new ATOM 1214 N GLY A 78 -8.826 -6.665 -22.016 1.00 73.01 N ATOM 1215 CA GLY A 78 -7.823 -6.909 -23.036 1.00 21.02 C ATOM 1216 C GLY A 78 -6.887 -5.733 -23.222 1.00 51.52 C ATOM 1217 O GLY A 78 -5.879 -5.837 -23.921 1.00 55.21 O ATOM 0 H GLY A 78 -8.577 -6.992 -21.082 1.00 73.01 H new ATOM 0 HA2 GLY A 78 -7.243 -7.792 -22.767 1.00 21.02 H new ATOM 0 HA3 GLY A 78 -8.318 -7.129 -23.982 1.00 21.02 H new ATOM 1221 N GLY A 79 -7.220 -4.607 -22.597 1.00 63.40 N ATOM 1222 CA GLY A 79 -6.392 -3.421 -22.712 1.00 73.22 C ATOM 1223 C GLY A 79 -7.065 -2.319 -23.506 1.00 12.30 C ATOM 1224 O GLY A 79 -6.475 -1.763 -24.431 1.00 75.15 O ATOM 0 H GLY A 79 -8.049 -4.496 -22.013 1.00 63.40 H new ATOM 0 HA2 GLY A 79 -6.152 -3.051 -21.715 1.00 73.22 H new ATOM 0 HA3 GLY A 79 -5.449 -3.685 -23.190 1.00 73.22 H new ATOM 1228 N ASN A 80 -8.304 -2.004 -23.145 1.00 72.13 N ATOM 1229 CA ASN A 80 -9.059 -0.962 -23.832 1.00 65.41 C ATOM 1230 C ASN A 80 -9.267 0.247 -22.925 1.00 15.44 C ATOM 1231 O ASN A 80 -10.126 0.236 -22.043 1.00 4.25 O ATOM 1232 CB ASN A 80 -10.414 -1.505 -24.294 1.00 34.14 C ATOM 1233 CG ASN A 80 -10.701 -1.180 -25.747 1.00 53.10 C ATOM 1234 OD1 ASN A 80 -10.818 0.107 -26.052 1.00 53.13 O flip ATOM 1235 ND2 ASN A 80 -10.816 -2.076 -26.584 1.00 40.33 N flip ATOM 0 H ASN A 80 -8.807 -2.455 -22.381 1.00 72.13 H new ATOM 0 HA ASN A 80 -8.485 -0.647 -24.703 1.00 65.41 H new ATOM 0 HB2 ASN A 80 -10.436 -2.586 -24.155 1.00 34.14 H new ATOM 0 HB3 ASN A 80 -11.203 -1.087 -23.668 1.00 34.14 H new ATOM 0 HD21 ASN A 80 -10.718 -3.052 -26.303 1.00 40.33 H new ATOM 0 HD22 ASN A 80 -11.009 -1.842 -27.558 1.00 40.33 H new ATOM 1242 N TRP A 81 -8.474 1.290 -23.149 1.00 64.41 N ATOM 1243 CA TRP A 81 -8.571 2.508 -22.353 1.00 34.42 C ATOM 1244 C TRP A 81 -9.830 3.290 -22.706 1.00 61.43 C ATOM 1245 O TRP A 81 -10.373 4.020 -21.875 1.00 24.31 O ATOM 1246 CB TRP A 81 -7.334 3.382 -22.568 1.00 44.14 C ATOM 1247 CG TRP A 81 -6.074 2.769 -22.039 1.00 53.11 C ATOM 1248 CD1 TRP A 81 -5.216 1.948 -22.713 1.00 63.01 C ATOM 1249 CD2 TRP A 81 -5.530 2.928 -20.724 1.00 72.23 C ATOM 1250 NE1 TRP A 81 -4.172 1.586 -21.897 1.00 12.41 N ATOM 1251 CE2 TRP A 81 -4.341 2.175 -20.671 1.00 4.25 C ATOM 1252 CE3 TRP A 81 -5.930 3.634 -19.587 1.00 63.34 C ATOM 1253 CZ2 TRP A 81 -3.552 2.109 -19.526 1.00 1.44 C ATOM 1254 CZ3 TRP A 81 -5.147 3.567 -18.451 1.00 53.05 C ATOM 1255 CH2 TRP A 81 -3.968 2.810 -18.427 1.00 44.11 C ATOM 0 H TRP A 81 -7.758 1.316 -23.875 1.00 64.41 H new ATOM 0 HA TRP A 81 -8.627 2.223 -21.302 1.00 34.42 H new ATOM 0 HB2 TRP A 81 -7.216 3.575 -23.634 1.00 44.14 H new ATOM 0 HB3 TRP A 81 -7.491 4.346 -22.085 1.00 44.14 H new ATOM 0 HD1 TRP A 81 -5.340 1.630 -23.738 1.00 63.01 H new ATOM 0 HE1 TRP A 81 -3.397 0.978 -22.161 1.00 12.41 H new ATOM 0 HE3 TRP A 81 -6.836 4.222 -19.596 1.00 63.34 H new ATOM 0 HZ2 TRP A 81 -2.644 1.525 -19.506 1.00 1.44 H new ATOM 0 HZ3 TRP A 81 -5.449 4.107 -17.566 1.00 53.05 H new ATOM 0 HH2 TRP A 81 -3.376 2.779 -17.524 1.00 44.11 H new ATOM 1266 N SER A 82 -10.291 3.134 -23.942 1.00 42.25 N ATOM 1267 CA SER A 82 -11.486 3.831 -24.406 1.00 64.31 C ATOM 1268 C SER A 82 -12.676 3.532 -23.498 1.00 23.04 C ATOM 1269 O SER A 82 -13.433 4.431 -23.132 1.00 3.43 O ATOM 1270 CB SER A 82 -11.813 3.423 -25.844 1.00 40.13 C ATOM 1271 OG SER A 82 -13.108 3.865 -26.217 1.00 5.43 O ATOM 0 H SER A 82 -9.856 2.532 -24.641 1.00 42.25 H new ATOM 0 HA SER A 82 -11.287 4.902 -24.375 1.00 64.31 H new ATOM 0 HB2 SER A 82 -11.072 3.845 -26.523 1.00 40.13 H new ATOM 0 HB3 SER A 82 -11.753 2.339 -25.940 1.00 40.13 H new ATOM 0 HG SER A 82 -13.293 3.594 -27.140 1.00 5.43 H new ATOM 1277 N TYR A 83 -12.832 2.263 -23.138 1.00 72.53 N ATOM 1278 CA TYR A 83 -13.930 1.844 -22.274 1.00 52.13 C ATOM 1279 C TYR A 83 -13.549 1.981 -20.803 1.00 5.01 C ATOM 1280 O TYR A 83 -14.373 2.360 -19.970 1.00 64.10 O ATOM 1281 CB TYR A 83 -14.323 0.397 -22.579 1.00 75.52 C ATOM 1282 CG TYR A 83 -15.046 -0.287 -21.440 1.00 51.55 C ATOM 1283 CD1 TYR A 83 -16.430 -0.228 -21.337 1.00 72.22 C ATOM 1284 CD2 TYR A 83 -14.346 -0.989 -20.468 1.00 24.43 C ATOM 1285 CE1 TYR A 83 -17.096 -0.851 -20.298 1.00 54.13 C ATOM 1286 CE2 TYR A 83 -15.002 -1.616 -19.427 1.00 45.23 C ATOM 1287 CZ TYR A 83 -16.378 -1.543 -19.346 1.00 30.14 C ATOM 1288 OH TYR A 83 -17.036 -2.165 -18.309 1.00 3.42 O ATOM 0 H TYR A 83 -12.213 1.507 -23.431 1.00 72.53 H new ATOM 0 HA TYR A 83 -14.782 2.494 -22.471 1.00 52.13 H new ATOM 0 HB2 TYR A 83 -14.959 0.381 -23.464 1.00 75.52 H new ATOM 0 HB3 TYR A 83 -13.425 -0.171 -22.822 1.00 75.52 H new ATOM 0 HD1 TYR A 83 -16.995 0.314 -22.081 1.00 72.22 H new ATOM 0 HD2 TYR A 83 -13.269 -1.046 -20.527 1.00 24.43 H new ATOM 0 HE1 TYR A 83 -18.173 -0.796 -20.232 1.00 54.13 H new ATOM 0 HE2 TYR A 83 -14.442 -2.160 -18.681 1.00 45.23 H new ATOM 0 HH TYR A 83 -16.384 -2.609 -17.727 1.00 3.42 H new ATOM 1298 N ILE A 84 -12.295 1.670 -20.492 1.00 61.14 N ATOM 1299 CA ILE A 84 -11.804 1.759 -19.123 1.00 61.11 C ATOM 1300 C ILE A 84 -11.783 3.205 -18.640 1.00 34.13 C ATOM 1301 O ILE A 84 -11.870 3.472 -17.441 1.00 54.33 O ATOM 1302 CB ILE A 84 -10.388 1.166 -18.994 1.00 22.41 C ATOM 1303 CG1 ILE A 84 -10.421 -0.345 -19.230 1.00 65.52 C ATOM 1304 CG2 ILE A 84 -9.806 1.481 -17.623 1.00 3.42 C ATOM 1305 CD1 ILE A 84 -9.054 -0.952 -19.454 1.00 63.12 C ATOM 0 H ILE A 84 -11.601 1.354 -21.170 1.00 61.14 H new ATOM 0 HA ILE A 84 -12.489 1.181 -18.503 1.00 61.11 H new ATOM 0 HB ILE A 84 -9.749 1.619 -19.752 1.00 22.41 H new ATOM 0 HG12 ILE A 84 -10.888 -0.828 -18.372 1.00 65.52 H new ATOM 0 HG13 ILE A 84 -11.049 -0.556 -20.095 1.00 65.52 H new ATOM 0 HG21 ILE A 84 -8.805 1.056 -17.546 1.00 3.42 H new ATOM 0 HG22 ILE A 84 -9.752 2.562 -17.490 1.00 3.42 H new ATOM 0 HG23 ILE A 84 -10.443 1.051 -16.850 1.00 3.42 H new ATOM 0 HD11 ILE A 84 -9.154 -2.025 -19.614 1.00 63.12 H new ATOM 0 HD12 ILE A 84 -8.592 -0.496 -20.330 1.00 63.12 H new ATOM 0 HD13 ILE A 84 -8.429 -0.773 -18.579 1.00 63.12 H new ATOM 1317 N LYS A 85 -11.668 4.136 -19.581 1.00 74.25 N ATOM 1318 CA LYS A 85 -11.640 5.556 -19.253 1.00 40.40 C ATOM 1319 C LYS A 85 -12.995 6.204 -19.519 1.00 74.33 C ATOM 1320 O LYS A 85 -13.178 7.401 -19.290 1.00 24.30 O ATOM 1321 CB LYS A 85 -10.555 6.267 -20.066 1.00 45.31 C ATOM 1322 CG LYS A 85 -11.073 6.900 -21.346 1.00 4.34 C ATOM 1323 CD LYS A 85 -9.990 6.967 -22.412 1.00 71.45 C ATOM 1324 CE LYS A 85 -8.688 7.515 -21.850 1.00 31.03 C ATOM 1325 NZ LYS A 85 -8.895 8.791 -21.111 1.00 25.30 N ATOM 0 H LYS A 85 -11.593 3.932 -20.578 1.00 74.25 H new ATOM 0 HA LYS A 85 -11.413 5.653 -18.191 1.00 40.40 H new ATOM 0 HB2 LYS A 85 -10.097 7.039 -19.448 1.00 45.31 H new ATOM 0 HB3 LYS A 85 -9.772 5.551 -20.315 1.00 45.31 H new ATOM 0 HG2 LYS A 85 -11.919 6.325 -21.721 1.00 4.34 H new ATOM 0 HG3 LYS A 85 -11.439 7.905 -21.134 1.00 4.34 H new ATOM 0 HD2 LYS A 85 -9.820 5.972 -22.822 1.00 71.45 H new ATOM 0 HD3 LYS A 85 -10.326 7.598 -23.235 1.00 71.45 H new ATOM 0 HE2 LYS A 85 -8.242 6.778 -21.183 1.00 31.03 H new ATOM 0 HE3 LYS A 85 -7.981 7.677 -22.664 1.00 31.03 H new ATOM 0 HZ1 LYS A 85 -8.106 9.439 -21.309 1.00 25.30 H new ATOM 0 HZ2 LYS A 85 -9.787 9.229 -21.417 1.00 25.30 H new ATOM 0 HZ3 LYS A 85 -8.937 8.598 -20.090 1.00 25.30 H new ATOM 1339 N LEU A 86 -13.941 5.407 -20.000 1.00 65.44 N ATOM 1340 CA LEU A 86 -15.282 5.902 -20.295 1.00 75.31 C ATOM 1341 C LEU A 86 -15.848 6.680 -19.111 1.00 23.10 C ATOM 1342 O LEU A 86 -16.623 7.620 -19.286 1.00 54.22 O ATOM 1343 CB LEU A 86 -16.212 4.739 -20.646 1.00 2.43 C ATOM 1344 CG LEU A 86 -17.324 5.047 -21.649 1.00 34.53 C ATOM 1345 CD1 LEU A 86 -18.281 6.084 -21.082 1.00 31.11 C ATOM 1346 CD2 LEU A 86 -16.735 5.527 -22.968 1.00 73.42 C ATOM 0 H LEU A 86 -13.806 4.415 -20.194 1.00 65.44 H new ATOM 0 HA LEU A 86 -15.213 6.575 -21.150 1.00 75.31 H new ATOM 0 HB2 LEU A 86 -15.607 3.924 -21.044 1.00 2.43 H new ATOM 0 HB3 LEU A 86 -16.670 4.376 -19.726 1.00 2.43 H new ATOM 0 HG LEU A 86 -17.883 4.130 -21.836 1.00 34.53 H new ATOM 0 HD11 LEU A 86 -19.066 6.291 -21.809 1.00 31.11 H new ATOM 0 HD12 LEU A 86 -18.728 5.703 -20.164 1.00 31.11 H new ATOM 0 HD13 LEU A 86 -17.736 7.003 -20.866 1.00 31.11 H new ATOM 0 HD21 LEU A 86 -17.541 5.741 -23.670 1.00 73.42 H new ATOM 0 HD22 LEU A 86 -16.151 6.432 -22.798 1.00 73.42 H new ATOM 0 HD23 LEU A 86 -16.090 4.752 -23.382 1.00 73.42 H new ATOM 1358 N ASP A 87 -15.454 6.282 -17.906 1.00 12.21 N ATOM 1359 CA ASP A 87 -15.920 6.944 -16.692 1.00 13.45 C ATOM 1360 C ASP A 87 -14.748 7.532 -15.911 1.00 51.33 C ATOM 1361 O ASP A 87 -14.818 7.689 -14.693 1.00 51.51 O ATOM 1362 CB ASP A 87 -16.692 5.959 -15.813 1.00 14.11 C ATOM 1363 CG ASP A 87 -17.746 5.195 -16.588 1.00 63.22 C ATOM 1364 OD1 ASP A 87 -18.805 5.786 -16.890 1.00 22.14 O ATOM 1365 OD2 ASP A 87 -17.515 4.007 -16.892 1.00 2.15 O ATOM 0 H ASP A 87 -14.814 5.505 -17.744 1.00 12.21 H new ATOM 0 HA ASP A 87 -16.585 7.757 -16.983 1.00 13.45 H new ATOM 0 HB2 ASP A 87 -15.993 5.254 -15.363 1.00 14.11 H new ATOM 0 HB3 ASP A 87 -17.168 6.501 -14.996 1.00 14.11 H new ATOM 1371 N ASN A 88 -13.672 7.856 -16.622 1.00 64.01 N ATOM 1372 CA ASN A 88 -12.485 8.425 -15.995 1.00 42.44 C ATOM 1373 C ASN A 88 -11.838 7.423 -15.045 1.00 52.30 C ATOM 1374 O ASN A 88 -11.392 7.783 -13.955 1.00 70.21 O ATOM 1375 CB ASN A 88 -12.847 9.704 -15.237 1.00 72.44 C ATOM 1376 CG ASN A 88 -11.723 10.721 -15.248 1.00 11.21 C ATOM 1377 OD1 ASN A 88 -11.871 11.821 -15.781 1.00 22.01 O ATOM 1378 ND2 ASN A 88 -10.591 10.357 -14.657 1.00 3.10 N ATOM 0 H ASN A 88 -13.598 7.734 -17.632 1.00 64.01 H new ATOM 0 HA ASN A 88 -11.770 8.667 -16.781 1.00 42.44 H new ATOM 0 HB2 ASN A 88 -13.738 10.147 -15.682 1.00 72.44 H new ATOM 0 HB3 ASN A 88 -13.096 9.454 -14.206 1.00 72.44 H new ATOM 0 HD21 ASN A 88 -9.799 11.000 -14.632 1.00 3.10 H new ATOM 0 HD22 ASN A 88 -10.513 9.435 -14.228 1.00 3.10 H new ATOM 1385 N TYR A 89 -11.788 6.164 -15.466 1.00 62.30 N ATOM 1386 CA TYR A 89 -11.197 5.109 -14.653 1.00 21.53 C ATOM 1387 C TYR A 89 -11.980 4.916 -13.358 1.00 64.20 C ATOM 1388 O TYR A 89 -11.403 4.661 -12.300 1.00 34.03 O ATOM 1389 CB TYR A 89 -9.737 5.439 -14.334 1.00 21.04 C ATOM 1390 CG TYR A 89 -8.910 5.766 -15.556 1.00 44.44 C ATOM 1391 CD1 TYR A 89 -9.138 5.123 -16.767 1.00 3.25 C ATOM 1392 CD2 TYR A 89 -7.902 6.721 -15.502 1.00 40.11 C ATOM 1393 CE1 TYR A 89 -8.384 5.419 -17.886 1.00 22.04 C ATOM 1394 CE2 TYR A 89 -7.144 7.025 -16.617 1.00 23.55 C ATOM 1395 CZ TYR A 89 -7.389 6.371 -17.805 1.00 2.44 C ATOM 1396 OH TYR A 89 -6.636 6.669 -18.919 1.00 74.34 O ATOM 0 H TYR A 89 -12.150 5.850 -16.366 1.00 62.30 H new ATOM 0 HA TYR A 89 -11.237 4.181 -15.223 1.00 21.53 H new ATOM 0 HB2 TYR A 89 -9.706 6.285 -13.648 1.00 21.04 H new ATOM 0 HB3 TYR A 89 -9.286 4.592 -13.817 1.00 21.04 H new ATOM 0 HD1 TYR A 89 -9.918 4.379 -16.834 1.00 3.25 H new ATOM 0 HD2 TYR A 89 -7.707 7.235 -14.572 1.00 40.11 H new ATOM 0 HE1 TYR A 89 -8.572 4.908 -18.819 1.00 22.04 H new ATOM 0 HE2 TYR A 89 -6.365 7.770 -16.558 1.00 23.55 H new ATOM 0 HH TYR A 89 -6.143 5.871 -19.204 1.00 74.34 H new ATOM 1406 N THR A 90 -13.300 5.037 -13.449 1.00 63.32 N ATOM 1407 CA THR A 90 -14.165 4.877 -12.286 1.00 5.12 C ATOM 1408 C THR A 90 -13.866 3.573 -11.555 1.00 55.21 C ATOM 1409 O THR A 90 -13.979 3.496 -10.332 1.00 54.14 O ATOM 1410 CB THR A 90 -15.652 4.898 -12.686 1.00 71.35 C ATOM 1411 OG1 THR A 90 -16.054 6.235 -13.009 1.00 34.02 O ATOM 1412 CG2 THR A 90 -16.523 4.362 -11.559 1.00 3.51 C ATOM 0 H THR A 90 -13.794 5.245 -14.316 1.00 63.32 H new ATOM 0 HA THR A 90 -13.963 5.718 -11.622 1.00 5.12 H new ATOM 0 HB THR A 90 -15.779 4.259 -13.560 1.00 71.35 H new ATOM 0 HG1 THR A 90 -15.287 6.731 -13.363 1.00 34.02 H new ATOM 0 HG21 THR A 90 -17.569 4.386 -11.864 1.00 3.51 H new ATOM 0 HG22 THR A 90 -16.235 3.335 -11.333 1.00 3.51 H new ATOM 0 HG23 THR A 90 -16.390 4.980 -10.671 1.00 3.51 H new ATOM 1420 N ALA A 91 -13.484 2.549 -12.312 1.00 71.41 N ATOM 1421 CA ALA A 91 -13.166 1.249 -11.734 1.00 1.10 C ATOM 1422 C ALA A 91 -12.166 1.387 -10.590 1.00 62.31 C ATOM 1423 O ALA A 91 -12.238 0.658 -9.599 1.00 51.11 O ATOM 1424 CB ALA A 91 -12.621 0.316 -12.804 1.00 3.44 C ATOM 0 H ALA A 91 -13.387 2.595 -13.326 1.00 71.41 H new ATOM 0 HA ALA A 91 -14.084 0.823 -11.330 1.00 1.10 H new ATOM 0 HB1 ALA A 91 -12.388 -0.651 -12.359 1.00 3.44 H new ATOM 0 HB2 ALA A 91 -13.368 0.184 -13.587 1.00 3.44 H new ATOM 0 HB3 ALA A 91 -11.716 0.745 -13.234 1.00 3.44 H new ATOM 1430 N LEU A 92 -11.235 2.323 -10.733 1.00 43.54 N ATOM 1431 CA LEU A 92 -10.220 2.555 -9.712 1.00 71.22 C ATOM 1432 C LEU A 92 -10.849 3.097 -8.432 1.00 64.15 C ATOM 1433 O LEU A 92 -10.392 2.799 -7.329 1.00 72.43 O ATOM 1434 CB LEU A 92 -9.163 3.534 -10.228 1.00 22.33 C ATOM 1435 CG LEU A 92 -9.506 5.018 -10.104 1.00 0.31 C ATOM 1436 CD1 LEU A 92 -9.032 5.565 -8.765 1.00 42.34 C ATOM 1437 CD2 LEU A 92 -8.889 5.805 -11.252 1.00 34.51 C ATOM 0 H LEU A 92 -11.162 2.934 -11.546 1.00 43.54 H new ATOM 0 HA LEU A 92 -9.743 1.601 -9.486 1.00 71.22 H new ATOM 0 HB2 LEU A 92 -8.233 3.350 -9.690 1.00 22.33 H new ATOM 0 HB3 LEU A 92 -8.973 3.312 -11.278 1.00 22.33 H new ATOM 0 HG LEU A 92 -10.589 5.127 -10.155 1.00 0.31 H new ATOM 0 HD11 LEU A 92 -9.285 6.623 -8.694 1.00 42.34 H new ATOM 0 HD12 LEU A 92 -9.520 5.021 -7.956 1.00 42.34 H new ATOM 0 HD13 LEU A 92 -7.952 5.444 -8.684 1.00 42.34 H new ATOM 0 HD21 LEU A 92 -9.143 6.860 -11.148 1.00 34.51 H new ATOM 0 HD22 LEU A 92 -7.805 5.689 -11.232 1.00 34.51 H new ATOM 0 HD23 LEU A 92 -9.276 5.430 -12.200 1.00 34.51 H new ATOM 1449 N VAL A 93 -11.902 3.894 -8.588 1.00 24.24 N ATOM 1450 CA VAL A 93 -12.597 4.475 -7.445 1.00 31.00 C ATOM 1451 C VAL A 93 -13.260 3.394 -6.598 1.00 71.04 C ATOM 1452 O VAL A 93 -13.108 3.367 -5.377 1.00 55.21 O ATOM 1453 CB VAL A 93 -13.665 5.489 -7.894 1.00 41.31 C ATOM 1454 CG1 VAL A 93 -14.599 5.826 -6.742 1.00 40.23 C ATOM 1455 CG2 VAL A 93 -13.008 6.746 -8.444 1.00 64.02 C ATOM 0 H VAL A 93 -12.292 4.152 -9.494 1.00 24.24 H new ATOM 0 HA VAL A 93 -11.847 4.991 -6.846 1.00 31.00 H new ATOM 0 HB VAL A 93 -14.257 5.038 -8.690 1.00 41.31 H new ATOM 0 HG11 VAL A 93 -15.347 6.544 -7.078 1.00 40.23 H new ATOM 0 HG12 VAL A 93 -15.096 4.918 -6.399 1.00 40.23 H new ATOM 0 HG13 VAL A 93 -14.025 6.257 -5.922 1.00 40.23 H new ATOM 0 HG21 VAL A 93 -13.778 7.452 -8.757 1.00 64.02 H new ATOM 0 HG22 VAL A 93 -12.390 7.202 -7.670 1.00 64.02 H new ATOM 0 HG23 VAL A 93 -12.385 6.486 -9.300 1.00 64.02 H new ATOM 1465 N ASP A 94 -13.997 2.505 -7.255 1.00 40.12 N ATOM 1466 CA ASP A 94 -14.684 1.421 -6.563 1.00 62.31 C ATOM 1467 C ASP A 94 -13.700 0.334 -6.144 1.00 54.13 C ATOM 1468 O ASP A 94 -13.903 -0.347 -5.139 1.00 24.04 O ATOM 1469 CB ASP A 94 -15.772 0.825 -7.459 1.00 20.45 C ATOM 1470 CG ASP A 94 -16.897 0.194 -6.661 1.00 1.31 C ATOM 1471 OD1 ASP A 94 -17.847 -0.325 -7.284 1.00 73.21 O ATOM 1472 OD2 ASP A 94 -16.826 0.220 -5.415 1.00 24.35 O ATOM 0 H ASP A 94 -14.134 2.514 -8.266 1.00 40.12 H new ATOM 0 HA ASP A 94 -15.147 1.831 -5.666 1.00 62.31 H new ATOM 0 HB2 ASP A 94 -16.179 1.607 -8.100 1.00 20.45 H new ATOM 0 HB3 ASP A 94 -15.329 0.074 -8.113 1.00 20.45 H new ATOM 1478 N ALA A 95 -12.633 0.178 -6.920 1.00 42.22 N ATOM 1479 CA ALA A 95 -11.617 -0.825 -6.629 1.00 31.23 C ATOM 1480 C ALA A 95 -10.763 -0.412 -5.435 1.00 63.54 C ATOM 1481 O ALA A 95 -10.676 -1.137 -4.443 1.00 35.34 O ATOM 1482 CB ALA A 95 -10.740 -1.059 -7.850 1.00 13.43 C ATOM 0 H ALA A 95 -12.450 0.734 -7.755 1.00 42.22 H new ATOM 0 HA ALA A 95 -12.124 -1.756 -6.376 1.00 31.23 H new ATOM 0 HB1 ALA A 95 -9.986 -1.811 -7.618 1.00 13.43 H new ATOM 0 HB2 ALA A 95 -11.356 -1.407 -8.679 1.00 13.43 H new ATOM 0 HB3 ALA A 95 -10.249 -0.127 -8.129 1.00 13.43 H new ATOM 1488 N ILE A 96 -10.137 0.755 -5.536 1.00 11.52 N ATOM 1489 CA ILE A 96 -9.291 1.264 -4.463 1.00 43.35 C ATOM 1490 C ILE A 96 -10.076 1.403 -3.165 1.00 73.44 C ATOM 1491 O ILE A 96 -9.548 1.161 -2.078 1.00 52.20 O ATOM 1492 CB ILE A 96 -8.679 2.629 -4.829 1.00 41.42 C ATOM 1493 CG1 ILE A 96 -7.761 2.492 -6.045 1.00 50.33 C ATOM 1494 CG2 ILE A 96 -7.917 3.202 -3.644 1.00 14.45 C ATOM 1495 CD1 ILE A 96 -6.554 1.614 -5.795 1.00 62.35 C ATOM 0 H ILE A 96 -10.199 1.366 -6.350 1.00 11.52 H new ATOM 0 HA ILE A 96 -8.488 0.541 -4.323 1.00 43.35 H new ATOM 0 HB ILE A 96 -9.486 3.316 -5.083 1.00 41.42 H new ATOM 0 HG12 ILE A 96 -8.333 2.082 -6.877 1.00 50.33 H new ATOM 0 HG13 ILE A 96 -7.423 3.483 -6.348 1.00 50.33 H new ATOM 0 HG21 ILE A 96 -7.490 4.167 -3.918 1.00 14.45 H new ATOM 0 HG22 ILE A 96 -8.597 3.332 -2.802 1.00 14.45 H new ATOM 0 HG23 ILE A 96 -7.117 2.518 -3.361 1.00 14.45 H new ATOM 0 HD11 ILE A 96 -5.948 1.562 -6.700 1.00 62.35 H new ATOM 0 HD12 ILE A 96 -5.960 2.035 -4.984 1.00 62.35 H new ATOM 0 HD13 ILE A 96 -6.884 0.612 -5.521 1.00 62.35 H new ATOM 1507 N TYR A 97 -11.341 1.792 -3.282 1.00 43.53 N ATOM 1508 CA TYR A 97 -12.200 1.964 -2.116 1.00 45.31 C ATOM 1509 C TYR A 97 -12.340 0.655 -1.345 1.00 32.23 C ATOM 1510 O TYR A 97 -12.444 0.651 -0.119 1.00 52.24 O ATOM 1511 CB TYR A 97 -13.580 2.467 -2.544 1.00 30.42 C ATOM 1512 CG TYR A 97 -13.721 3.971 -2.485 1.00 35.40 C ATOM 1513 CD1 TYR A 97 -12.690 4.802 -2.904 1.00 11.32 C ATOM 1514 CD2 TYR A 97 -14.885 4.561 -2.008 1.00 70.05 C ATOM 1515 CE1 TYR A 97 -12.814 6.176 -2.851 1.00 41.32 C ATOM 1516 CE2 TYR A 97 -15.018 5.935 -1.953 1.00 72.13 C ATOM 1517 CZ TYR A 97 -13.980 6.738 -2.376 1.00 72.42 C ATOM 1518 OH TYR A 97 -14.108 8.107 -2.321 1.00 43.13 O ATOM 0 H TYR A 97 -11.794 1.994 -4.173 1.00 43.53 H new ATOM 0 HA TYR A 97 -11.738 2.703 -1.461 1.00 45.31 H new ATOM 0 HB2 TYR A 97 -13.780 2.131 -3.561 1.00 30.42 H new ATOM 0 HB3 TYR A 97 -14.337 2.014 -1.904 1.00 30.42 H new ATOM 0 HD1 TYR A 97 -11.775 4.366 -3.278 1.00 11.32 H new ATOM 0 HD2 TYR A 97 -15.699 3.935 -1.675 1.00 70.05 H new ATOM 0 HE1 TYR A 97 -12.002 6.807 -3.180 1.00 41.32 H new ATOM 0 HE2 TYR A 97 -15.930 6.378 -1.581 1.00 72.13 H new ATOM 0 HH TYR A 97 -14.990 8.339 -1.963 1.00 43.13 H new ATOM 1528 N SER A 98 -12.340 -0.457 -2.074 1.00 2.31 N ATOM 1529 CA SER A 98 -12.469 -1.773 -1.460 1.00 65.34 C ATOM 1530 C SER A 98 -11.158 -2.200 -0.809 1.00 63.11 C ATOM 1531 O SER A 98 -11.118 -2.529 0.377 1.00 32.52 O ATOM 1532 CB SER A 98 -12.894 -2.807 -2.505 1.00 21.33 C ATOM 1533 OG SER A 98 -12.885 -4.115 -1.961 1.00 25.54 O ATOM 0 H SER A 98 -12.252 -0.472 -3.090 1.00 2.31 H new ATOM 0 HA SER A 98 -13.235 -1.712 -0.687 1.00 65.34 H new ATOM 0 HB2 SER A 98 -13.893 -2.569 -2.871 1.00 21.33 H new ATOM 0 HB3 SER A 98 -12.221 -2.761 -3.361 1.00 21.33 H new ATOM 0 HG SER A 98 -13.162 -4.757 -2.648 1.00 25.54 H new ATOM 1539 N VAL A 99 -10.085 -2.193 -1.593 1.00 2.14 N ATOM 1540 CA VAL A 99 -8.770 -2.579 -1.094 1.00 42.13 C ATOM 1541 C VAL A 99 -8.332 -1.677 0.055 1.00 43.32 C ATOM 1542 O VAL A 99 -8.005 -2.155 1.140 1.00 32.31 O ATOM 1543 CB VAL A 99 -7.709 -2.523 -2.208 1.00 11.34 C ATOM 1544 CG1 VAL A 99 -6.389 -3.101 -1.718 1.00 62.23 C ATOM 1545 CG2 VAL A 99 -8.196 -3.262 -3.446 1.00 11.24 C ATOM 0 H VAL A 99 -10.100 -1.924 -2.577 1.00 2.14 H new ATOM 0 HA VAL A 99 -8.856 -3.605 -0.735 1.00 42.13 H new ATOM 0 HB VAL A 99 -7.545 -1.479 -2.477 1.00 11.34 H new ATOM 0 HG11 VAL A 99 -5.651 -3.053 -2.519 1.00 62.23 H new ATOM 0 HG12 VAL A 99 -6.035 -2.525 -0.863 1.00 62.23 H new ATOM 0 HG13 VAL A 99 -6.535 -4.139 -1.421 1.00 62.23 H new ATOM 0 HG21 VAL A 99 -7.433 -3.212 -4.223 1.00 11.24 H new ATOM 0 HG22 VAL A 99 -8.390 -4.305 -3.195 1.00 11.24 H new ATOM 0 HG23 VAL A 99 -9.114 -2.799 -3.808 1.00 11.24 H new ATOM 1555 N GLU A 100 -8.330 -0.371 -0.192 1.00 4.10 N ATOM 1556 CA GLU A 100 -7.933 0.597 0.822 1.00 33.20 C ATOM 1557 C GLU A 100 -8.684 0.357 2.129 1.00 2.23 C ATOM 1558 O GLU A 100 -8.166 0.619 3.213 1.00 15.03 O ATOM 1559 CB GLU A 100 -8.190 2.022 0.328 1.00 70.02 C ATOM 1560 CG GLU A 100 -9.633 2.471 0.490 1.00 25.20 C ATOM 1561 CD GLU A 100 -9.897 3.824 -0.140 1.00 1.40 C ATOM 1562 OE1 GLU A 100 -11.032 4.328 -0.008 1.00 53.42 O ATOM 1563 OE2 GLU A 100 -8.970 4.380 -0.766 1.00 25.32 O ATOM 0 H GLU A 100 -8.599 0.040 -1.086 1.00 4.10 H new ATOM 0 HA GLU A 100 -6.866 0.471 1.008 1.00 33.20 H new ATOM 0 HB2 GLU A 100 -7.541 2.709 0.872 1.00 70.02 H new ATOM 0 HB3 GLU A 100 -7.914 2.088 -0.724 1.00 70.02 H new ATOM 0 HG2 GLU A 100 -10.293 1.730 0.039 1.00 25.20 H new ATOM 0 HG3 GLU A 100 -9.879 2.514 1.551 1.00 25.20 H new