USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=19 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -141:sc= -0.0272 (180deg=-0.408) USER MOD Set 2.1: A 56 THR OG1 : rot 130:sc= -0.975 USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= -0.347 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.43 F(o=-1.3,f=-0.43) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl -156:sc= -0.13 (180deg=-0.701) USER MOD Single : A 43 THR OG1 : rot -65:sc= 0.734 USER MOD Single : A 44 ASN : amide:sc= -0.817 X(o=-0.82,f=-0.49) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.21 F(o=-0.75,f=-0.21) USER MOD Single : A 65 LYS NZ :NH3+ -142:sc= -1.55 (180deg=-3.3!) USER MOD Single : A 67 MET CE :methyl 148:sc= -4.66! (180deg=-5.72!) USER MOD Single : A 71 MET CE :methyl -142:sc= 0 (180deg=-0.0337) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.163 F(o=-0.77,f=-0.16) 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 88 ASN :FLIP amide:sc= -0.0135 F(o=-0.67,f=-0.013) USER MOD Single : A 89 TYR OH : rot -62:sc= -0.594 USER MOD Single : A 90 THR OG1 : rot 26:sc= 0.187 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 93:sc= 0.126 USER MOD ----------------------------------------------------------------- ATOM 432 N VAL A 31 14.606 -20.694 -6.667 1.00 12.31 N ATOM 433 CA VAL A 31 13.854 -19.864 -7.600 1.00 12.43 C ATOM 434 C VAL A 31 13.896 -20.444 -9.010 1.00 62.31 C ATOM 435 O VAL A 31 14.092 -19.719 -9.984 1.00 63.05 O ATOM 436 CB VAL A 31 14.396 -18.423 -7.633 1.00 11.04 C ATOM 437 CG1 VAL A 31 14.217 -17.753 -6.280 1.00 40.43 C ATOM 438 CG2 VAL A 31 15.858 -18.415 -8.052 1.00 22.43 C ATOM 0 HA VAL A 31 12.823 -19.848 -7.248 1.00 12.43 H new ATOM 0 HB VAL A 31 13.827 -17.856 -8.369 1.00 11.04 H new ATOM 0 HG11 VAL A 31 14.606 -16.736 -6.323 1.00 40.43 H new ATOM 0 HG12 VAL A 31 13.158 -17.726 -6.025 1.00 40.43 H new ATOM 0 HG13 VAL A 31 14.759 -18.316 -5.520 1.00 40.43 H new ATOM 0 HG21 VAL A 31 16.226 -17.389 -8.070 1.00 22.43 H new ATOM 0 HG22 VAL A 31 16.444 -18.998 -7.341 1.00 22.43 H new ATOM 0 HG23 VAL A 31 15.954 -18.853 -9.046 1.00 22.43 H new ATOM 448 N GLU A 32 13.712 -21.757 -9.109 1.00 13.51 N ATOM 449 CA GLU A 32 13.730 -22.434 -10.401 1.00 3.42 C ATOM 450 C GLU A 32 12.744 -21.786 -11.369 1.00 5.12 C ATOM 451 O GLU A 32 12.998 -21.710 -12.571 1.00 20.21 O ATOM 452 CB GLU A 32 13.393 -23.917 -10.228 1.00 75.11 C ATOM 453 CG GLU A 32 12.193 -24.168 -9.331 1.00 3.34 C ATOM 454 CD GLU A 32 12.589 -24.625 -7.941 1.00 53.31 C ATOM 455 OE1 GLU A 32 11.989 -24.133 -6.962 1.00 71.42 O ATOM 456 OE2 GLU A 32 13.498 -25.475 -7.831 1.00 54.32 O ATOM 0 H GLU A 32 13.549 -22.372 -8.312 1.00 13.51 H new ATOM 0 HA GLU A 32 14.733 -22.342 -10.817 1.00 3.42 H new ATOM 0 HB2 GLU A 32 13.201 -24.354 -11.208 1.00 75.11 H new ATOM 0 HB3 GLU A 32 14.260 -24.432 -9.814 1.00 75.11 H new ATOM 0 HG2 GLU A 32 11.604 -23.254 -9.255 1.00 3.34 H new ATOM 0 HG3 GLU A 32 11.553 -24.922 -9.789 1.00 3.34 H new ATOM 464 N SER A 33 11.618 -21.323 -10.835 1.00 30.15 N ATOM 465 CA SER A 33 10.592 -20.686 -11.652 1.00 52.33 C ATOM 466 C SER A 33 10.379 -19.236 -11.225 1.00 4.34 C ATOM 467 O SER A 33 9.988 -18.392 -12.029 1.00 33.14 O ATOM 468 CB SER A 33 9.274 -21.459 -11.548 1.00 63.55 C ATOM 469 OG SER A 33 8.243 -20.806 -12.267 1.00 40.23 O ATOM 0 H SER A 33 11.393 -21.377 -9.841 1.00 30.15 H new ATOM 0 HA SER A 33 10.930 -20.695 -12.688 1.00 52.33 H new ATOM 0 HB2 SER A 33 9.409 -22.469 -11.936 1.00 63.55 H new ATOM 0 HB3 SER A 33 8.987 -21.556 -10.501 1.00 63.55 H new ATOM 0 HG SER A 33 7.412 -21.320 -12.187 1.00 40.23 H new ATOM 475 N ASP A 34 10.641 -18.958 -9.952 1.00 14.24 N ATOM 476 CA ASP A 34 10.480 -17.611 -9.417 1.00 73.32 C ATOM 477 C ASP A 34 11.343 -16.614 -10.184 1.00 62.13 C ATOM 478 O ASP A 34 11.033 -15.424 -10.242 1.00 60.43 O ATOM 479 CB ASP A 34 10.845 -17.582 -7.932 1.00 3.43 C ATOM 480 CG ASP A 34 10.340 -16.335 -7.235 1.00 13.24 C ATOM 481 OD1 ASP A 34 10.887 -15.988 -6.167 1.00 44.12 O ATOM 482 OD2 ASP A 34 9.397 -15.704 -7.758 1.00 23.11 O ATOM 0 H ASP A 34 10.965 -19.646 -9.273 1.00 14.24 H new ATOM 0 HA ASP A 34 9.435 -17.324 -9.533 1.00 73.32 H new ATOM 0 HB2 ASP A 34 10.429 -18.462 -7.442 1.00 3.43 H new ATOM 0 HB3 ASP A 34 11.928 -17.640 -7.826 1.00 3.43 H new ATOM 488 N LEU A 35 12.428 -17.108 -10.771 1.00 14.14 N ATOM 489 CA LEU A 35 13.338 -16.260 -11.534 1.00 33.04 C ATOM 490 C LEU A 35 12.584 -15.480 -12.607 1.00 24.12 C ATOM 491 O LEU A 35 12.964 -14.364 -12.959 1.00 61.21 O ATOM 492 CB LEU A 35 14.434 -17.108 -12.181 1.00 63.53 C ATOM 493 CG LEU A 35 15.807 -16.446 -12.307 1.00 32.33 C ATOM 494 CD1 LEU A 35 15.726 -15.215 -13.197 1.00 65.22 C ATOM 495 CD2 LEU A 35 16.352 -16.079 -10.934 1.00 15.14 C ATOM 0 H LEU A 35 12.699 -18.091 -10.733 1.00 14.14 H new ATOM 0 HA LEU A 35 13.795 -15.548 -10.846 1.00 33.04 H new ATOM 0 HB2 LEU A 35 14.546 -18.024 -11.602 1.00 63.53 H new ATOM 0 HB3 LEU A 35 14.100 -17.399 -13.177 1.00 63.53 H new ATOM 0 HG LEU A 35 16.491 -17.159 -12.768 1.00 32.33 H new ATOM 0 HD11 LEU A 35 16.712 -14.757 -13.275 1.00 65.22 H new ATOM 0 HD12 LEU A 35 15.381 -15.506 -14.189 1.00 65.22 H new ATOM 0 HD13 LEU A 35 15.027 -14.499 -12.765 1.00 65.22 H new ATOM 0 HD21 LEU A 35 17.329 -15.609 -11.044 1.00 15.14 H new ATOM 0 HD22 LEU A 35 15.669 -15.385 -10.445 1.00 15.14 H new ATOM 0 HD23 LEU A 35 16.449 -16.980 -10.328 1.00 15.14 H new ATOM 507 N ASP A 36 11.513 -16.074 -13.120 1.00 10.55 N ATOM 508 CA ASP A 36 10.703 -15.435 -14.151 1.00 64.14 C ATOM 509 C ASP A 36 10.217 -14.065 -13.687 1.00 70.45 C ATOM 510 O ASP A 36 9.948 -13.183 -14.502 1.00 74.41 O ATOM 511 CB ASP A 36 9.508 -16.318 -14.512 1.00 21.31 C ATOM 512 CG ASP A 36 8.350 -16.148 -13.548 1.00 0.12 C ATOM 513 OD1 ASP A 36 8.585 -16.203 -12.323 1.00 42.14 O ATOM 514 OD2 ASP A 36 7.210 -15.960 -14.019 1.00 54.33 O ATOM 0 H ASP A 36 11.185 -16.998 -12.839 1.00 10.55 H new ATOM 0 HA ASP A 36 11.325 -15.301 -15.036 1.00 64.14 H new ATOM 0 HB2 ASP A 36 9.175 -16.078 -15.522 1.00 21.31 H new ATOM 0 HB3 ASP A 36 9.821 -17.362 -14.519 1.00 21.31 H new ATOM 520 N MET A 37 10.107 -13.895 -12.374 1.00 61.34 N ATOM 521 CA MET A 37 9.655 -12.632 -11.803 1.00 44.24 C ATOM 522 C MET A 37 10.556 -11.482 -12.241 1.00 51.40 C ATOM 523 O MET A 37 10.100 -10.349 -12.390 1.00 63.41 O ATOM 524 CB MET A 37 9.627 -12.720 -10.274 1.00 34.54 C ATOM 525 CG MET A 37 8.571 -11.834 -9.634 1.00 21.13 C ATOM 526 SD MET A 37 8.772 -11.696 -7.848 1.00 55.14 S ATOM 527 CE MET A 37 7.061 -11.661 -7.317 1.00 23.23 C ATOM 0 H MET A 37 10.325 -14.616 -11.686 1.00 61.34 H new ATOM 0 HA MET A 37 8.646 -12.438 -12.168 1.00 44.24 H new ATOM 0 HB2 MET A 37 9.448 -13.754 -9.981 1.00 34.54 H new ATOM 0 HB3 MET A 37 10.607 -12.443 -9.884 1.00 34.54 H new ATOM 0 HG2 MET A 37 8.618 -10.840 -10.079 1.00 21.13 H new ATOM 0 HG3 MET A 37 7.582 -12.236 -9.855 1.00 21.13 H new ATOM 0 HE1 MET A 37 7.019 -11.578 -6.231 1.00 23.23 H new ATOM 0 HE2 MET A 37 6.558 -10.805 -7.767 1.00 23.23 H new ATOM 0 HE3 MET A 37 6.564 -12.579 -7.630 1.00 23.23 H new ATOM 537 N GLN A 38 11.834 -11.783 -12.445 1.00 12.11 N ATOM 538 CA GLN A 38 12.799 -10.773 -12.865 1.00 10.45 C ATOM 539 C GLN A 38 12.440 -10.218 -14.240 1.00 25.41 C ATOM 540 O GLN A 38 12.179 -9.025 -14.389 1.00 71.04 O ATOM 541 CB GLN A 38 14.209 -11.364 -12.892 1.00 0.32 C ATOM 542 CG GLN A 38 14.920 -11.302 -11.550 1.00 43.41 C ATOM 543 CD GLN A 38 14.058 -11.806 -10.409 1.00 15.43 C ATOM 544 OE1 GLN A 38 13.815 -13.111 -10.381 1.00 23.55 O flip ATOM 545 NE2 GLN A 38 13.614 -11.030 -9.561 1.00 71.34 N flip ATOM 0 H GLN A 38 12.226 -12.717 -12.326 1.00 12.11 H new ATOM 0 HA GLN A 38 12.770 -9.956 -12.144 1.00 10.45 H new ATOM 0 HB2 GLN A 38 14.152 -12.403 -13.216 1.00 0.32 H new ATOM 0 HB3 GLN A 38 14.803 -10.831 -13.634 1.00 0.32 H new ATOM 0 HG2 GLN A 38 15.833 -11.895 -11.599 1.00 43.41 H new ATOM 0 HG3 GLN A 38 15.218 -10.273 -11.348 1.00 43.41 H new ATOM 0 HE21 GLN A 38 13.826 -10.034 -9.621 1.00 71.34 H new ATOM 0 HE22 GLN A 38 13.035 -11.384 -8.799 1.00 71.34 H new ATOM 554 N GLN A 39 12.431 -11.092 -15.241 1.00 33.43 N ATOM 555 CA GLN A 39 12.107 -10.688 -16.605 1.00 42.23 C ATOM 556 C GLN A 39 10.732 -10.029 -16.664 1.00 0.24 C ATOM 557 O GLN A 39 10.457 -9.225 -17.554 1.00 53.51 O ATOM 558 CB GLN A 39 12.148 -11.897 -17.540 1.00 14.34 C ATOM 559 CG GLN A 39 13.414 -12.726 -17.409 1.00 22.51 C ATOM 560 CD GLN A 39 13.503 -13.825 -18.449 1.00 45.21 C ATOM 561 OE1 GLN A 39 14.202 -13.692 -19.454 1.00 73.33 O ATOM 562 NE2 GLN A 39 12.792 -14.922 -18.213 1.00 63.41 N ATOM 0 H GLN A 39 12.644 -12.084 -15.134 1.00 33.43 H new ATOM 0 HA GLN A 39 12.852 -9.962 -16.930 1.00 42.23 H new ATOM 0 HB2 GLN A 39 11.286 -12.532 -17.337 1.00 14.34 H new ATOM 0 HB3 GLN A 39 12.055 -11.552 -18.570 1.00 14.34 H new ATOM 0 HG2 GLN A 39 14.282 -12.073 -17.501 1.00 22.51 H new ATOM 0 HG3 GLN A 39 13.452 -13.169 -16.414 1.00 22.51 H new ATOM 0 HE21 GLN A 39 12.226 -14.991 -17.367 1.00 63.41 H new ATOM 0 HE22 GLN A 39 12.812 -15.696 -18.878 1.00 63.41 H new ATOM 571 N ALA A 40 9.873 -10.378 -15.711 1.00 72.44 N ATOM 572 CA ALA A 40 8.528 -9.818 -15.655 1.00 63.10 C ATOM 573 C ALA A 40 8.555 -8.368 -15.185 1.00 34.34 C ATOM 574 O ALA A 40 7.739 -7.552 -15.614 1.00 21.13 O ATOM 575 CB ALA A 40 7.648 -10.655 -14.738 1.00 11.41 C ATOM 0 H ALA A 40 10.084 -11.045 -14.969 1.00 72.44 H new ATOM 0 HA ALA A 40 8.110 -9.838 -16.662 1.00 63.10 H new ATOM 0 HB1 ALA A 40 6.646 -10.227 -14.705 1.00 11.41 H new ATOM 0 HB2 ALA A 40 7.594 -11.675 -15.118 1.00 11.41 H new ATOM 0 HB3 ALA A 40 8.073 -10.663 -13.734 1.00 11.41 H new ATOM 581 N MET A 41 9.497 -8.053 -14.304 1.00 44.24 N ATOM 582 CA MET A 41 9.631 -6.700 -13.777 1.00 11.41 C ATOM 583 C MET A 41 9.773 -5.687 -14.909 1.00 3.35 C ATOM 584 O MET A 41 9.039 -4.700 -14.968 1.00 61.41 O ATOM 585 CB MET A 41 10.837 -6.610 -12.842 1.00 61.41 C ATOM 586 CG MET A 41 10.641 -7.339 -11.523 1.00 13.43 C ATOM 587 SD MET A 41 9.962 -6.275 -10.235 1.00 24.32 S ATOM 588 CE MET A 41 11.334 -5.156 -9.963 1.00 55.41 C ATOM 0 H MET A 41 10.180 -8.717 -13.939 1.00 44.24 H new ATOM 0 HA MET A 41 8.727 -6.465 -13.215 1.00 11.41 H new ATOM 0 HB2 MET A 41 11.710 -7.021 -13.348 1.00 61.41 H new ATOM 0 HB3 MET A 41 11.051 -5.561 -12.639 1.00 61.41 H new ATOM 0 HG2 MET A 41 9.974 -8.187 -11.677 1.00 13.43 H new ATOM 0 HG3 MET A 41 11.597 -7.742 -11.189 1.00 13.43 H new ATOM 0 HE1 MET A 41 11.266 -4.735 -8.960 1.00 55.41 H new ATOM 0 HE2 MET A 41 12.273 -5.700 -10.066 1.00 55.41 H new ATOM 0 HE3 MET A 41 11.299 -4.352 -10.698 1.00 55.41 H new ATOM 598 N LEU A 42 10.720 -5.939 -15.806 1.00 4.22 N ATOM 599 CA LEU A 42 10.959 -5.050 -16.936 1.00 33.24 C ATOM 600 C LEU A 42 9.708 -4.920 -17.801 1.00 72.33 C ATOM 601 O LEU A 42 9.511 -3.911 -18.479 1.00 70.14 O ATOM 602 CB LEU A 42 12.124 -5.568 -17.782 1.00 64.11 C ATOM 603 CG LEU A 42 13.513 -5.063 -17.392 1.00 55.11 C ATOM 604 CD1 LEU A 42 14.028 -5.805 -16.168 1.00 15.54 C ATOM 605 CD2 LEU A 42 14.482 -5.213 -18.556 1.00 41.53 C ATOM 0 H LEU A 42 11.335 -6.752 -15.772 1.00 4.22 H new ATOM 0 HA LEU A 42 11.212 -4.065 -16.543 1.00 33.24 H new ATOM 0 HB2 LEU A 42 12.128 -6.657 -17.731 1.00 64.11 H new ATOM 0 HB3 LEU A 42 11.940 -5.298 -18.822 1.00 64.11 H new ATOM 0 HG LEU A 42 13.436 -4.005 -17.143 1.00 55.11 H new ATOM 0 HD11 LEU A 42 15.018 -5.431 -15.906 1.00 15.54 H new ATOM 0 HD12 LEU A 42 13.347 -5.645 -15.332 1.00 15.54 H new ATOM 0 HD13 LEU A 42 14.089 -6.871 -16.388 1.00 15.54 H new ATOM 0 HD21 LEU A 42 15.466 -4.848 -18.260 1.00 41.53 H new ATOM 0 HD22 LEU A 42 14.554 -6.264 -18.837 1.00 41.53 H new ATOM 0 HD23 LEU A 42 14.121 -4.634 -19.406 1.00 41.53 H new ATOM 617 N THR A 43 8.864 -5.946 -17.769 1.00 12.02 N ATOM 618 CA THR A 43 7.632 -5.945 -18.548 1.00 42.21 C ATOM 619 C THR A 43 6.416 -6.158 -17.652 1.00 34.31 C ATOM 620 O THR A 43 5.737 -7.179 -17.744 1.00 4.22 O ATOM 621 CB THR A 43 7.653 -7.039 -19.633 1.00 55.13 C ATOM 622 OG1 THR A 43 6.368 -7.131 -20.260 1.00 62.42 O ATOM 623 CG2 THR A 43 8.030 -8.386 -19.036 1.00 13.15 C ATOM 0 H THR A 43 9.011 -6.788 -17.212 1.00 12.02 H new ATOM 0 HA THR A 43 7.561 -4.969 -19.028 1.00 42.21 H new ATOM 0 HB THR A 43 8.402 -6.768 -20.378 1.00 55.13 H new ATOM 0 HG1 THR A 43 5.706 -7.436 -19.605 1.00 62.42 H new ATOM 0 HG21 THR A 43 8.038 -9.142 -19.821 1.00 13.15 H new ATOM 0 HG22 THR A 43 9.020 -8.320 -18.585 1.00 13.15 H new ATOM 0 HG23 THR A 43 7.302 -8.662 -18.273 1.00 13.15 H new ATOM 631 N ASN A 44 6.147 -5.184 -16.789 1.00 43.31 N ATOM 632 CA ASN A 44 5.011 -5.264 -15.876 1.00 24.03 C ATOM 633 C ASN A 44 4.181 -3.986 -15.926 1.00 22.31 C ATOM 634 O ASN A 44 3.234 -3.816 -15.159 1.00 71.12 O ATOM 635 CB ASN A 44 5.496 -5.516 -14.447 1.00 20.13 C ATOM 636 CG ASN A 44 4.350 -5.740 -13.479 1.00 11.43 C ATOM 637 OD1 ASN A 44 4.308 -5.148 -12.401 1.00 51.14 O ATOM 638 ND2 ASN A 44 3.413 -6.601 -13.861 1.00 74.32 N ATOM 0 H ASN A 44 6.699 -4.331 -16.702 1.00 43.31 H new ATOM 0 HA ASN A 44 4.381 -6.096 -16.191 1.00 24.03 H new ATOM 0 HB2 ASN A 44 6.152 -6.386 -14.437 1.00 20.13 H new ATOM 0 HB3 ASN A 44 6.090 -4.665 -14.112 1.00 20.13 H new ATOM 0 HD21 ASN A 44 2.618 -6.794 -13.251 1.00 74.32 H new ATOM 0 HD22 ASN A 44 3.488 -7.069 -14.764 1.00 74.32 H new ATOM 718 N VAL A 49 0.026 3.079 -18.668 1.00 32.35 N ATOM 719 CA VAL A 49 -0.147 2.664 -17.283 1.00 51.44 C ATOM 720 C VAL A 49 0.249 3.779 -16.321 1.00 40.14 C ATOM 721 O VAL A 49 -0.332 3.921 -15.244 1.00 14.22 O ATOM 722 CB VAL A 49 0.684 1.408 -16.965 1.00 45.40 C ATOM 723 CG1 VAL A 49 0.525 1.017 -15.502 1.00 33.41 C ATOM 724 CG2 VAL A 49 0.283 0.259 -17.878 1.00 21.31 C ATOM 0 HA VAL A 49 -1.204 2.434 -17.152 1.00 51.44 H new ATOM 0 HB VAL A 49 1.735 1.635 -17.143 1.00 45.40 H new ATOM 0 HG11 VAL A 49 1.120 0.127 -15.297 1.00 33.41 H new ATOM 0 HG12 VAL A 49 0.865 1.835 -14.868 1.00 33.41 H new ATOM 0 HG13 VAL A 49 -0.524 0.808 -15.293 1.00 33.41 H new ATOM 0 HG21 VAL A 49 0.880 -0.621 -17.639 1.00 21.31 H new ATOM 0 HG22 VAL A 49 -0.773 0.031 -17.733 1.00 21.31 H new ATOM 0 HG23 VAL A 49 0.454 0.543 -18.916 1.00 21.31 H new ATOM 734 N LEU A 50 1.241 4.569 -16.717 1.00 11.33 N ATOM 735 CA LEU A 50 1.716 5.673 -15.890 1.00 32.15 C ATOM 736 C LEU A 50 0.671 6.781 -15.809 1.00 1.14 C ATOM 737 O LEU A 50 0.666 7.577 -14.870 1.00 34.44 O ATOM 738 CB LEU A 50 3.025 6.230 -16.453 1.00 41.02 C ATOM 739 CG LEU A 50 4.099 5.199 -16.800 1.00 72.41 C ATOM 740 CD1 LEU A 50 5.218 5.844 -17.605 1.00 54.32 C ATOM 741 CD2 LEU A 50 4.651 4.557 -15.535 1.00 75.44 C ATOM 0 H LEU A 50 1.732 4.466 -17.605 1.00 11.33 H new ATOM 0 HA LEU A 50 1.893 5.292 -14.884 1.00 32.15 H new ATOM 0 HB2 LEU A 50 2.796 6.803 -17.352 1.00 41.02 H new ATOM 0 HB3 LEU A 50 3.441 6.928 -15.727 1.00 41.02 H new ATOM 0 HG LEU A 50 3.643 4.419 -17.410 1.00 72.41 H new ATOM 0 HD11 LEU A 50 5.973 5.095 -17.843 1.00 54.32 H new ATOM 0 HD12 LEU A 50 4.811 6.255 -18.529 1.00 54.32 H new ATOM 0 HD13 LEU A 50 5.672 6.644 -17.021 1.00 54.32 H new ATOM 0 HD21 LEU A 50 5.414 3.826 -15.801 1.00 75.44 H new ATOM 0 HD22 LEU A 50 5.091 5.325 -14.899 1.00 75.44 H new ATOM 0 HD23 LEU A 50 3.844 4.059 -14.997 1.00 75.44 H new ATOM 753 N LYS A 51 -0.215 6.826 -16.799 1.00 3.31 N ATOM 754 CA LYS A 51 -1.267 7.833 -16.839 1.00 53.20 C ATOM 755 C LYS A 51 -2.388 7.490 -15.861 1.00 22.41 C ATOM 756 O LYS A 51 -3.000 8.377 -15.269 1.00 13.22 O ATOM 757 CB LYS A 51 -1.833 7.953 -18.256 1.00 40.21 C ATOM 758 CG LYS A 51 -3.182 7.277 -18.432 1.00 41.23 C ATOM 759 CD LYS A 51 -3.666 7.363 -19.870 1.00 33.21 C ATOM 760 CE LYS A 51 -4.683 8.480 -20.050 1.00 31.33 C ATOM 761 NZ LYS A 51 -5.323 8.436 -21.394 1.00 64.50 N ATOM 0 H LYS A 51 -0.224 6.176 -17.585 1.00 3.31 H new ATOM 0 HA LYS A 51 -0.831 8.788 -16.545 1.00 53.20 H new ATOM 0 HB2 LYS A 51 -1.929 9.008 -18.512 1.00 40.21 H new ATOM 0 HB3 LYS A 51 -1.123 7.518 -18.960 1.00 40.21 H new ATOM 0 HG2 LYS A 51 -3.107 6.231 -18.134 1.00 41.23 H new ATOM 0 HG3 LYS A 51 -3.913 7.745 -17.773 1.00 41.23 H new ATOM 0 HD2 LYS A 51 -2.816 7.533 -20.531 1.00 33.21 H new ATOM 0 HD3 LYS A 51 -4.112 6.413 -20.162 1.00 33.21 H new ATOM 0 HE2 LYS A 51 -5.450 8.400 -19.280 1.00 31.33 H new ATOM 0 HE3 LYS A 51 -4.192 9.444 -19.913 1.00 31.33 H new ATOM 0 HZ1 LYS A 51 -6.009 9.213 -21.477 1.00 64.50 H new ATOM 0 HZ2 LYS A 51 -4.594 8.537 -22.129 1.00 64.50 H new ATOM 0 HZ3 LYS A 51 -5.813 7.527 -21.516 1.00 64.50 H new ATOM 775 N ALA A 52 -2.647 6.196 -15.696 1.00 73.32 N ATOM 776 CA ALA A 52 -3.689 5.737 -14.788 1.00 3.32 C ATOM 777 C ALA A 52 -3.463 6.271 -13.377 1.00 43.51 C ATOM 778 O ALA A 52 -4.413 6.497 -12.627 1.00 13.35 O ATOM 779 CB ALA A 52 -3.747 4.216 -14.776 1.00 31.51 C ATOM 0 H ALA A 52 -2.149 5.449 -16.180 1.00 73.32 H new ATOM 0 HA ALA A 52 -4.643 6.123 -15.146 1.00 3.32 H new ATOM 0 HB1 ALA A 52 -4.530 3.887 -14.093 1.00 31.51 H new ATOM 0 HB2 ALA A 52 -3.965 3.852 -15.780 1.00 31.51 H new ATOM 0 HB3 ALA A 52 -2.787 3.818 -14.446 1.00 31.51 H new ATOM 785 N LEU A 53 -2.198 6.469 -13.020 1.00 13.25 N ATOM 786 CA LEU A 53 -1.846 6.975 -11.699 1.00 13.21 C ATOM 787 C LEU A 53 -2.229 8.445 -11.560 1.00 75.14 C ATOM 788 O LEU A 53 -2.346 8.964 -10.449 1.00 23.12 O ATOM 789 CB LEU A 53 -0.349 6.800 -11.445 1.00 21.54 C ATOM 790 CG LEU A 53 0.139 5.361 -11.270 1.00 55.12 C ATOM 791 CD1 LEU A 53 1.653 5.291 -11.395 1.00 33.33 C ATOM 792 CD2 LEU A 53 -0.313 4.805 -9.928 1.00 41.35 C ATOM 0 H LEU A 53 -1.400 6.286 -13.628 1.00 13.25 H new ATOM 0 HA LEU A 53 -2.402 6.401 -10.958 1.00 13.21 H new ATOM 0 HB2 LEU A 53 0.195 7.248 -12.276 1.00 21.54 H new ATOM 0 HB3 LEU A 53 -0.084 7.363 -10.550 1.00 21.54 H new ATOM 0 HG LEU A 53 -0.298 4.751 -12.060 1.00 55.12 H new ATOM 0 HD11 LEU A 53 1.981 4.259 -11.268 1.00 33.33 H new ATOM 0 HD12 LEU A 53 1.954 5.649 -12.380 1.00 33.33 H new ATOM 0 HD13 LEU A 53 2.111 5.915 -10.627 1.00 33.33 H new ATOM 0 HD21 LEU A 53 0.043 3.780 -9.820 1.00 41.35 H new ATOM 0 HD22 LEU A 53 0.095 5.417 -9.124 1.00 41.35 H new ATOM 0 HD23 LEU A 53 -1.402 4.818 -9.877 1.00 41.35 H new ATOM 804 N GLU A 54 -2.424 9.110 -12.694 1.00 75.43 N ATOM 805 CA GLU A 54 -2.795 10.521 -12.697 1.00 24.20 C ATOM 806 C GLU A 54 -4.159 10.727 -12.046 1.00 43.40 C ATOM 807 O GLU A 54 -4.355 11.666 -11.275 1.00 73.31 O ATOM 808 CB GLU A 54 -2.814 11.062 -14.128 1.00 74.51 C ATOM 809 CG GLU A 54 -1.524 10.812 -14.891 1.00 1.44 C ATOM 810 CD GLU A 54 -0.712 12.075 -15.100 1.00 54.45 C ATOM 811 OE1 GLU A 54 0.085 12.421 -14.202 1.00 31.55 O ATOM 812 OE2 GLU A 54 -0.876 12.719 -16.157 1.00 14.52 O ATOM 0 H GLU A 54 -2.332 8.696 -13.621 1.00 75.43 H new ATOM 0 HA GLU A 54 -2.050 11.067 -12.119 1.00 24.20 H new ATOM 0 HB2 GLU A 54 -3.641 10.603 -14.670 1.00 74.51 H new ATOM 0 HB3 GLU A 54 -3.007 12.134 -14.099 1.00 74.51 H new ATOM 0 HG2 GLU A 54 -0.921 10.084 -14.348 1.00 1.44 H new ATOM 0 HG3 GLU A 54 -1.760 10.372 -15.860 1.00 1.44 H new ATOM 820 N ARG A 55 -5.099 9.842 -12.362 1.00 64.11 N ATOM 821 CA ARG A 55 -6.445 9.926 -11.809 1.00 74.03 C ATOM 822 C ARG A 55 -6.477 9.408 -10.374 1.00 32.21 C ATOM 823 O ARG A 55 -7.245 9.896 -9.543 1.00 23.40 O ATOM 824 CB ARG A 55 -7.424 9.129 -12.672 1.00 12.43 C ATOM 825 CG ARG A 55 -8.779 8.917 -12.018 1.00 54.52 C ATOM 826 CD ARG A 55 -9.405 10.236 -11.590 1.00 21.24 C ATOM 827 NE ARG A 55 -10.821 10.309 -11.940 1.00 24.21 N ATOM 828 CZ ARG A 55 -11.647 11.238 -11.471 1.00 63.11 C ATOM 829 NH1 ARG A 55 -11.199 12.167 -10.637 1.00 32.23 N ATOM 830 NH2 ARG A 55 -12.922 11.238 -11.835 1.00 31.34 N ATOM 0 H ARG A 55 -4.953 9.058 -12.998 1.00 64.11 H new ATOM 0 HA ARG A 55 -6.744 10.974 -11.805 1.00 74.03 H new ATOM 0 HB2 ARG A 55 -7.565 9.648 -13.620 1.00 12.43 H new ATOM 0 HB3 ARG A 55 -6.985 8.158 -12.902 1.00 12.43 H new ATOM 0 HG2 ARG A 55 -9.444 8.407 -12.714 1.00 54.52 H new ATOM 0 HG3 ARG A 55 -8.667 8.268 -11.150 1.00 54.52 H new ATOM 0 HD2 ARG A 55 -9.291 10.359 -10.513 1.00 21.24 H new ATOM 0 HD3 ARG A 55 -8.872 11.061 -12.063 1.00 21.24 H new ATOM 0 HE ARG A 55 -11.196 9.609 -12.579 1.00 24.21 H new ATOM 0 HH11 ARG A 55 -10.219 12.169 -10.355 1.00 32.23 H new ATOM 0 HH12 ARG A 55 -11.835 12.879 -10.278 1.00 32.23 H new ATOM 0 HH21 ARG A 55 -13.269 10.524 -12.476 1.00 31.34 H new ATOM 0 HH22 ARG A 55 -13.555 11.952 -11.474 1.00 31.34 H new ATOM 844 N THR A 56 -5.638 8.417 -10.089 1.00 54.54 N ATOM 845 CA THR A 56 -5.572 7.832 -8.756 1.00 21.10 C ATOM 846 C THR A 56 -4.901 8.783 -7.771 1.00 14.41 C ATOM 847 O THR A 56 -5.400 9.000 -6.667 1.00 75.05 O ATOM 848 CB THR A 56 -4.804 6.497 -8.766 1.00 5.05 C ATOM 849 OG1 THR A 56 -3.403 6.738 -8.938 1.00 15.21 O ATOM 850 CG2 THR A 56 -5.309 5.591 -9.880 1.00 63.13 C ATOM 0 H THR A 56 -4.995 8.003 -10.764 1.00 54.54 H new ATOM 0 HA THR A 56 -6.599 7.650 -8.440 1.00 21.10 H new ATOM 0 HB THR A 56 -4.971 6.000 -7.810 1.00 5.05 H new ATOM 0 HG1 THR A 56 -2.901 6.250 -8.252 1.00 15.21 H new ATOM 0 HG21 THR A 56 -4.752 4.654 -9.868 1.00 63.13 H new ATOM 0 HG22 THR A 56 -6.369 5.385 -9.729 1.00 63.13 H new ATOM 0 HG23 THR A 56 -5.168 6.084 -10.842 1.00 63.13 H new ATOM 858 N ARG A 57 -3.769 9.348 -8.178 1.00 44.31 N ATOM 859 CA ARG A 57 -3.030 10.275 -7.330 1.00 42.41 C ATOM 860 C ARG A 57 -3.922 11.430 -6.882 1.00 32.23 C ATOM 861 O ARG A 57 -3.702 12.023 -5.827 1.00 22.12 O ATOM 862 CB ARG A 57 -1.809 10.818 -8.075 1.00 50.52 C ATOM 863 CG ARG A 57 -2.159 11.763 -9.211 1.00 74.11 C ATOM 864 CD ARG A 57 -0.944 12.549 -9.677 1.00 64.14 C ATOM 865 NE ARG A 57 0.202 11.682 -9.937 1.00 62.30 N ATOM 866 CZ ARG A 57 1.408 12.135 -10.262 1.00 24.11 C ATOM 867 NH1 ARG A 57 1.624 13.439 -10.366 1.00 45.03 N ATOM 868 NH2 ARG A 57 2.400 11.282 -10.483 1.00 70.11 N ATOM 0 H ARG A 57 -3.344 9.180 -9.090 1.00 44.31 H new ATOM 0 HA ARG A 57 -2.696 9.733 -6.446 1.00 42.41 H new ATOM 0 HB2 ARG A 57 -1.164 11.338 -7.367 1.00 50.52 H new ATOM 0 HB3 ARG A 57 -1.236 9.981 -8.474 1.00 50.52 H new ATOM 0 HG2 ARG A 57 -2.568 11.194 -10.046 1.00 74.11 H new ATOM 0 HG3 ARG A 57 -2.937 12.453 -8.885 1.00 74.11 H new ATOM 0 HD2 ARG A 57 -1.195 13.100 -10.583 1.00 64.14 H new ATOM 0 HD3 ARG A 57 -0.677 13.286 -8.920 1.00 64.14 H new ATOM 0 HE ARG A 57 0.069 10.673 -9.865 1.00 62.30 H new ATOM 0 HH11 ARG A 57 0.863 14.097 -10.196 1.00 45.03 H new ATOM 0 HH12 ARG A 57 2.551 13.784 -10.616 1.00 45.03 H new ATOM 0 HH21 ARG A 57 2.237 10.278 -10.403 1.00 70.11 H new ATOM 0 HH22 ARG A 57 3.326 11.630 -10.733 1.00 70.11 H new ATOM 882 N GLN A 58 -4.926 11.744 -7.693 1.00 33.05 N ATOM 883 CA GLN A 58 -5.849 12.829 -7.381 1.00 34.54 C ATOM 884 C GLN A 58 -6.631 12.529 -6.107 1.00 5.50 C ATOM 885 O GLN A 58 -6.853 13.413 -5.279 1.00 35.12 O ATOM 886 CB GLN A 58 -6.815 13.056 -8.545 1.00 12.21 C ATOM 887 CG GLN A 58 -6.199 13.812 -9.710 1.00 71.52 C ATOM 888 CD GLN A 58 -5.909 15.263 -9.376 1.00 11.33 C ATOM 889 OE1 GLN A 58 -4.743 15.516 -8.795 1.00 13.32 O flip ATOM 890 NE2 GLN A 58 -6.726 16.147 -9.638 1.00 40.02 N flip ATOM 0 H GLN A 58 -5.121 11.263 -8.571 1.00 33.05 H new ATOM 0 HA GLN A 58 -5.264 13.735 -7.222 1.00 34.54 H new ATOM 0 HB2 GLN A 58 -7.176 12.091 -8.900 1.00 12.21 H new ATOM 0 HB3 GLN A 58 -7.683 13.608 -8.183 1.00 12.21 H new ATOM 0 HG2 GLN A 58 -5.273 13.320 -10.009 1.00 71.52 H new ATOM 0 HG3 GLN A 58 -6.874 13.768 -10.565 1.00 71.52 H new ATOM 0 HE21 GLN A 58 -7.611 15.907 -10.085 1.00 40.02 H new ATOM 0 HE22 GLN A 58 -6.518 17.119 -9.408 1.00 40.02 H new ATOM 899 N LEU A 59 -7.048 11.276 -5.955 1.00 31.31 N ATOM 900 CA LEU A 59 -7.806 10.859 -4.782 1.00 43.41 C ATOM 901 C LEU A 59 -6.876 10.339 -3.690 1.00 4.24 C ATOM 902 O LEU A 59 -7.320 9.698 -2.737 1.00 65.32 O ATOM 903 CB LEU A 59 -8.820 9.778 -5.162 1.00 50.04 C ATOM 904 CG LEU A 59 -9.648 10.048 -6.418 1.00 22.42 C ATOM 905 CD1 LEU A 59 -9.513 8.898 -7.405 1.00 45.35 C ATOM 906 CD2 LEU A 59 -11.108 10.274 -6.056 1.00 1.35 C ATOM 0 H LEU A 59 -6.873 10.532 -6.630 1.00 31.31 H new ATOM 0 HA LEU A 59 -8.339 11.728 -4.397 1.00 43.41 H new ATOM 0 HB2 LEU A 59 -8.285 8.838 -5.299 1.00 50.04 H new ATOM 0 HB3 LEU A 59 -9.503 9.638 -4.324 1.00 50.04 H new ATOM 0 HG LEU A 59 -9.268 10.953 -6.892 1.00 22.42 H new ATOM 0 HD11 LEU A 59 -10.110 9.108 -8.293 1.00 45.35 H new ATOM 0 HD12 LEU A 59 -8.467 8.784 -7.689 1.00 45.35 H new ATOM 0 HD13 LEU A 59 -9.866 7.977 -6.941 1.00 45.35 H new ATOM 0 HD21 LEU A 59 -11.682 10.465 -6.963 1.00 1.35 H new ATOM 0 HD22 LEU A 59 -11.501 9.388 -5.557 1.00 1.35 H new ATOM 0 HD23 LEU A 59 -11.189 11.132 -5.388 1.00 1.35 H new ATOM 918 N ASP A 60 -5.586 10.619 -3.835 1.00 31.03 N ATOM 919 CA ASP A 60 -4.594 10.182 -2.860 1.00 3.33 C ATOM 920 C ASP A 60 -4.506 8.660 -2.819 1.00 22.41 C ATOM 921 O ASP A 60 -4.986 8.025 -1.879 1.00 33.31 O ATOM 922 CB ASP A 60 -4.939 10.722 -1.472 1.00 40.14 C ATOM 923 CG ASP A 60 -5.531 12.117 -1.524 1.00 20.34 C ATOM 924 OD1 ASP A 60 -6.703 12.281 -1.124 1.00 64.15 O ATOM 925 OD2 ASP A 60 -4.821 13.046 -1.964 1.00 13.34 O ATOM 0 H ASP A 60 -5.202 11.147 -4.619 1.00 31.03 H new ATOM 0 HA ASP A 60 -3.624 10.576 -3.164 1.00 3.33 H new ATOM 0 HB2 ASP A 60 -5.646 10.048 -0.989 1.00 40.14 H new ATOM 0 HB3 ASP A 60 -4.040 10.735 -0.856 1.00 40.14 H new ATOM 931 N ILE A 61 -3.891 8.080 -3.844 1.00 32.54 N ATOM 932 CA ILE A 61 -3.740 6.632 -3.926 1.00 63.52 C ATOM 933 C ILE A 61 -2.310 6.248 -4.290 1.00 63.42 C ATOM 934 O ILE A 61 -1.722 6.772 -5.237 1.00 44.54 O ATOM 935 CB ILE A 61 -4.703 6.024 -4.963 1.00 4.21 C ATOM 936 CG1 ILE A 61 -6.109 6.599 -4.785 1.00 74.31 C ATOM 937 CG2 ILE A 61 -4.726 4.507 -4.837 1.00 52.32 C ATOM 938 CD1 ILE A 61 -7.085 6.150 -5.849 1.00 11.01 C ATOM 0 H ILE A 61 -3.489 8.591 -4.630 1.00 32.54 H new ATOM 0 HA ILE A 61 -3.981 6.233 -2.941 1.00 63.52 H new ATOM 0 HB ILE A 61 -4.349 6.282 -5.961 1.00 4.21 H new ATOM 0 HG12 ILE A 61 -6.491 6.307 -3.807 1.00 74.31 H new ATOM 0 HG13 ILE A 61 -6.051 7.687 -4.793 1.00 74.31 H new ATOM 0 HG21 ILE A 61 -5.411 4.091 -5.576 1.00 52.32 H new ATOM 0 HG22 ILE A 61 -3.724 4.112 -5.008 1.00 52.32 H new ATOM 0 HG23 ILE A 61 -5.059 4.230 -3.837 1.00 52.32 H new ATOM 0 HD11 ILE A 61 -8.061 6.596 -5.659 1.00 11.01 H new ATOM 0 HD12 ILE A 61 -6.726 6.466 -6.829 1.00 11.01 H new ATOM 0 HD13 ILE A 61 -7.173 5.064 -5.827 1.00 11.01 H new ATOM 950 N PRO A 62 -1.736 5.310 -3.522 1.00 0.30 N ATOM 951 CA PRO A 62 -0.368 4.832 -3.746 1.00 11.34 C ATOM 952 C PRO A 62 -0.244 4.004 -5.020 1.00 34.32 C ATOM 953 O PRO A 62 -1.123 3.203 -5.340 1.00 75.14 O ATOM 954 CB PRO A 62 -0.091 3.964 -2.516 1.00 64.43 C ATOM 955 CG PRO A 62 -1.435 3.517 -2.056 1.00 44.31 C ATOM 956 CD PRO A 62 -2.378 4.643 -2.377 1.00 32.33 C ATOM 0 HA PRO A 62 0.336 5.655 -3.873 1.00 11.34 H new ATOM 0 HB2 PRO A 62 0.544 3.114 -2.766 1.00 64.43 H new ATOM 0 HB3 PRO A 62 0.425 4.530 -1.740 1.00 64.43 H new ATOM 0 HG2 PRO A 62 -1.736 2.600 -2.562 1.00 44.31 H new ATOM 0 HG3 PRO A 62 -1.431 3.304 -0.987 1.00 44.31 H new ATOM 0 HD2 PRO A 62 -3.372 4.275 -2.632 1.00 32.33 H new ATOM 0 HD3 PRO A 62 -2.497 5.321 -1.532 1.00 32.33 H new ATOM 964 N ASP A 63 0.852 4.203 -5.745 1.00 42.32 N ATOM 965 CA ASP A 63 1.091 3.473 -6.985 1.00 13.30 C ATOM 966 C ASP A 63 1.324 1.991 -6.707 1.00 1.12 C ATOM 967 O ASP A 63 1.344 1.174 -7.626 1.00 14.32 O ATOM 968 CB ASP A 63 2.294 4.061 -7.723 1.00 11.21 C ATOM 969 CG ASP A 63 2.679 3.248 -8.943 1.00 21.21 C ATOM 970 OD1 ASP A 63 1.767 2.763 -9.646 1.00 52.30 O ATOM 971 OD2 ASP A 63 3.892 3.096 -9.197 1.00 73.04 O ATOM 0 H ASP A 63 1.588 4.863 -5.495 1.00 42.32 H new ATOM 0 HA ASP A 63 0.205 3.572 -7.613 1.00 13.30 H new ATOM 0 HB2 ASP A 63 2.066 5.082 -8.028 1.00 11.21 H new ATOM 0 HB3 ASP A 63 3.144 4.114 -7.042 1.00 11.21 H new ATOM 977 N GLU A 64 1.499 1.654 -5.433 1.00 63.41 N ATOM 978 CA GLU A 64 1.733 0.271 -5.036 1.00 3.14 C ATOM 979 C GLU A 64 0.438 -0.535 -5.080 1.00 21.22 C ATOM 980 O GLU A 64 0.433 -1.706 -5.461 1.00 70.35 O ATOM 981 CB GLU A 64 2.333 0.215 -3.629 1.00 41.32 C ATOM 982 CG GLU A 64 3.459 1.211 -3.407 1.00 2.54 C ATOM 983 CD GLU A 64 4.500 1.169 -4.509 1.00 55.35 C ATOM 984 OE1 GLU A 64 4.395 1.980 -5.454 1.00 4.42 O ATOM 985 OE2 GLU A 64 5.418 0.328 -4.427 1.00 5.43 O ATOM 0 H GLU A 64 1.483 2.319 -4.660 1.00 63.41 H new ATOM 0 HA GLU A 64 2.438 -0.168 -5.742 1.00 3.14 H new ATOM 0 HB2 GLU A 64 1.545 0.402 -2.899 1.00 41.32 H new ATOM 0 HB3 GLU A 64 2.708 -0.792 -3.443 1.00 41.32 H new ATOM 0 HG2 GLU A 64 3.043 2.216 -3.344 1.00 2.54 H new ATOM 0 HG3 GLU A 64 3.939 1.004 -2.451 1.00 2.54 H new ATOM 993 N LYS A 65 -0.661 0.102 -4.689 1.00 64.24 N ATOM 994 CA LYS A 65 -1.964 -0.553 -4.684 1.00 60.11 C ATOM 995 C LYS A 65 -2.689 -0.333 -6.009 1.00 62.44 C ATOM 996 O LYS A 65 -3.490 -1.164 -6.436 1.00 24.42 O ATOM 997 CB LYS A 65 -2.819 -0.025 -3.530 1.00 63.31 C ATOM 998 CG LYS A 65 -3.676 1.172 -3.904 1.00 24.34 C ATOM 999 CD LYS A 65 -4.375 1.760 -2.690 1.00 24.34 C ATOM 1000 CE LYS A 65 -5.207 0.713 -1.966 1.00 72.11 C ATOM 1001 NZ LYS A 65 -6.055 -0.069 -2.907 1.00 2.30 N ATOM 0 H LYS A 65 -0.675 1.071 -4.371 1.00 64.24 H new ATOM 0 HA LYS A 65 -1.804 -1.623 -4.550 1.00 60.11 H new ATOM 0 HB2 LYS A 65 -3.466 -0.826 -3.172 1.00 63.31 H new ATOM 0 HB3 LYS A 65 -2.166 0.251 -2.702 1.00 63.31 H new ATOM 0 HG2 LYS A 65 -3.053 1.935 -4.371 1.00 24.34 H new ATOM 0 HG3 LYS A 65 -4.419 0.872 -4.643 1.00 24.34 H new ATOM 0 HD2 LYS A 65 -3.634 2.174 -2.007 1.00 24.34 H new ATOM 0 HD3 LYS A 65 -5.016 2.584 -3.002 1.00 24.34 H new ATOM 0 HE2 LYS A 65 -4.547 0.036 -1.424 1.00 72.11 H new ATOM 0 HE3 LYS A 65 -5.841 1.201 -1.226 1.00 72.11 H new ATOM 0 HZ1 LYS A 65 -6.977 -0.260 -2.466 1.00 2.30 H new ATOM 0 HZ2 LYS A 65 -6.196 0.475 -3.782 1.00 2.30 H new ATOM 0 HZ3 LYS A 65 -5.585 -0.969 -3.131 1.00 2.30 H new ATOM 1015 N THR A 66 -2.401 0.793 -6.655 1.00 11.12 N ATOM 1016 CA THR A 66 -3.024 1.122 -7.930 1.00 75.01 C ATOM 1017 C THR A 66 -2.473 0.251 -9.053 1.00 21.21 C ATOM 1018 O THR A 66 -3.173 -0.051 -10.019 1.00 43.40 O ATOM 1019 CB THR A 66 -2.812 2.604 -8.294 1.00 41.13 C ATOM 1020 OG1 THR A 66 -3.403 3.443 -7.295 1.00 30.34 O ATOM 1021 CG2 THR A 66 -3.418 2.920 -9.653 1.00 31.11 C ATOM 0 H THR A 66 -1.740 1.492 -6.315 1.00 11.12 H new ATOM 0 HA THR A 66 -4.091 0.932 -7.817 1.00 75.01 H new ATOM 0 HB THR A 66 -1.740 2.794 -8.340 1.00 41.13 H new ATOM 0 HG1 THR A 66 -3.263 4.383 -7.533 1.00 30.34 H new ATOM 0 HG21 THR A 66 -3.256 3.972 -9.888 1.00 31.11 H new ATOM 0 HG22 THR A 66 -2.945 2.301 -10.415 1.00 31.11 H new ATOM 0 HG23 THR A 66 -4.488 2.714 -9.631 1.00 31.11 H new ATOM 1029 N MET A 67 -1.213 -0.151 -8.920 1.00 62.43 N ATOM 1030 CA MET A 67 -0.568 -0.989 -9.923 1.00 5.44 C ATOM 1031 C MET A 67 -1.439 -2.193 -10.266 1.00 1.45 C ATOM 1032 O MET A 67 -1.847 -2.388 -11.412 1.00 4.35 O ATOM 1033 CB MET A 67 0.799 -1.461 -9.423 1.00 35.40 C ATOM 1034 CG MET A 67 1.967 -0.788 -10.124 1.00 62.21 C ATOM 1035 SD MET A 67 2.353 -1.544 -11.715 1.00 15.51 S ATOM 1036 CE MET A 67 1.261 -0.627 -12.799 1.00 53.44 C ATOM 0 H MET A 67 -0.619 0.090 -8.127 1.00 62.43 H new ATOM 0 HA MET A 67 -0.431 -0.392 -10.825 1.00 5.44 H new ATOM 0 HB2 MET A 67 0.870 -1.271 -8.352 1.00 35.40 H new ATOM 0 HB3 MET A 67 0.875 -2.539 -9.562 1.00 35.40 H new ATOM 0 HG2 MET A 67 1.737 0.267 -10.274 1.00 62.21 H new ATOM 0 HG3 MET A 67 2.846 -0.834 -9.482 1.00 62.21 H new ATOM 0 HE1 MET A 67 1.722 -0.528 -13.782 1.00 53.44 H new ATOM 0 HE2 MET A 67 0.314 -1.157 -12.895 1.00 53.44 H new ATOM 0 HE3 MET A 67 1.082 0.364 -12.381 1.00 53.44 H new ATOM 1046 N PRO A 68 -1.733 -3.022 -9.253 1.00 54.11 N ATOM 1047 CA PRO A 68 -2.559 -4.220 -9.424 1.00 61.33 C ATOM 1048 C PRO A 68 -4.020 -3.883 -9.700 1.00 70.03 C ATOM 1049 O PRO A 68 -4.796 -4.738 -10.127 1.00 64.01 O ATOM 1050 CB PRO A 68 -2.421 -4.941 -8.080 1.00 55.24 C ATOM 1051 CG PRO A 68 -2.096 -3.862 -7.104 1.00 21.11 C ATOM 1052 CD PRO A 68 -1.281 -2.850 -7.862 1.00 50.41 C ATOM 0 HA PRO A 68 -2.239 -4.817 -10.278 1.00 61.33 H new ATOM 0 HB2 PRO A 68 -3.343 -5.455 -7.810 1.00 55.24 H new ATOM 0 HB3 PRO A 68 -1.634 -5.695 -8.114 1.00 55.24 H new ATOM 0 HG2 PRO A 68 -3.004 -3.411 -6.704 1.00 21.11 H new ATOM 0 HG3 PRO A 68 -1.537 -4.258 -6.256 1.00 21.11 H new ATOM 0 HD2 PRO A 68 -1.463 -1.837 -7.503 1.00 50.41 H new ATOM 0 HD3 PRO A 68 -0.212 -3.037 -7.761 1.00 50.41 H new ATOM 1060 N VAL A 69 -4.391 -2.630 -9.454 1.00 43.02 N ATOM 1061 CA VAL A 69 -5.758 -2.179 -9.677 1.00 0.32 C ATOM 1062 C VAL A 69 -5.999 -1.861 -11.149 1.00 44.14 C ATOM 1063 O VAL A 69 -6.900 -2.419 -11.777 1.00 73.35 O ATOM 1064 CB VAL A 69 -6.084 -0.932 -8.833 1.00 31.14 C ATOM 1065 CG1 VAL A 69 -7.367 -0.276 -9.322 1.00 44.11 C ATOM 1066 CG2 VAL A 69 -6.188 -1.298 -7.361 1.00 50.53 C ATOM 0 H VAL A 69 -3.762 -1.909 -9.100 1.00 43.02 H new ATOM 0 HA VAL A 69 -6.413 -2.995 -9.373 1.00 0.32 H new ATOM 0 HB VAL A 69 -5.272 -0.214 -8.948 1.00 31.14 H new ATOM 0 HG11 VAL A 69 -7.581 0.603 -8.714 1.00 44.11 H new ATOM 0 HG12 VAL A 69 -7.249 0.023 -10.363 1.00 44.11 H new ATOM 0 HG13 VAL A 69 -8.192 -0.984 -9.240 1.00 44.11 H new ATOM 0 HG21 VAL A 69 -6.419 -0.405 -6.780 1.00 50.53 H new ATOM 0 HG22 VAL A 69 -6.980 -2.035 -7.224 1.00 50.53 H new ATOM 0 HG23 VAL A 69 -5.240 -1.717 -7.022 1.00 50.53 H new ATOM 1076 N LEU A 70 -5.186 -0.962 -11.694 1.00 53.53 N ATOM 1077 CA LEU A 70 -5.310 -0.568 -13.093 1.00 63.44 C ATOM 1078 C LEU A 70 -5.151 -1.775 -14.013 1.00 75.42 C ATOM 1079 O LEU A 70 -5.877 -1.916 -14.997 1.00 24.44 O ATOM 1080 CB LEU A 70 -4.264 0.493 -13.439 1.00 30.31 C ATOM 1081 CG LEU A 70 -2.814 0.010 -13.504 1.00 33.32 C ATOM 1082 CD1 LEU A 70 -2.469 -0.456 -14.911 1.00 51.25 C ATOM 1083 CD2 LEU A 70 -1.864 1.112 -13.058 1.00 51.21 C ATOM 0 H LEU A 70 -4.435 -0.493 -11.189 1.00 53.53 H new ATOM 0 HA LEU A 70 -6.305 -0.149 -13.241 1.00 63.44 H new ATOM 0 HB2 LEU A 70 -4.524 0.930 -14.403 1.00 30.31 H new ATOM 0 HB3 LEU A 70 -4.327 1.291 -12.700 1.00 30.31 H new ATOM 0 HG LEU A 70 -2.702 -0.836 -12.825 1.00 33.32 H new ATOM 0 HD11 LEU A 70 -1.434 -0.796 -14.938 1.00 51.25 H new ATOM 0 HD12 LEU A 70 -3.128 -1.277 -15.194 1.00 51.25 H new ATOM 0 HD13 LEU A 70 -2.598 0.370 -15.610 1.00 51.25 H new ATOM 0 HD21 LEU A 70 -0.837 0.750 -13.111 1.00 51.21 H new ATOM 0 HD22 LEU A 70 -1.978 1.977 -13.711 1.00 51.21 H new ATOM 0 HD23 LEU A 70 -2.095 1.399 -12.032 1.00 51.21 H new ATOM 1095 N MET A 71 -4.199 -2.642 -13.686 1.00 72.14 N ATOM 1096 CA MET A 71 -3.947 -3.837 -14.481 1.00 12.35 C ATOM 1097 C MET A 71 -5.183 -4.731 -14.524 1.00 52.40 C ATOM 1098 O MET A 71 -5.366 -5.512 -15.458 1.00 31.31 O ATOM 1099 CB MET A 71 -2.760 -4.616 -13.911 1.00 72.04 C ATOM 1100 CG MET A 71 -3.126 -5.506 -12.735 1.00 15.22 C ATOM 1101 SD MET A 71 -3.486 -7.201 -13.233 1.00 0.11 S ATOM 1102 CE MET A 71 -1.833 -7.829 -13.520 1.00 70.44 C ATOM 0 H MET A 71 -3.589 -2.539 -12.875 1.00 72.14 H new ATOM 0 HA MET A 71 -3.711 -3.523 -15.498 1.00 12.35 H new ATOM 0 HB2 MET A 71 -2.327 -5.230 -14.700 1.00 72.04 H new ATOM 0 HB3 MET A 71 -1.990 -3.911 -13.597 1.00 72.04 H new ATOM 0 HG2 MET A 71 -2.306 -5.509 -12.017 1.00 15.22 H new ATOM 0 HG3 MET A 71 -3.994 -5.089 -12.225 1.00 15.22 H new ATOM 0 HE1 MET A 71 -1.841 -8.492 -14.385 1.00 70.44 H new ATOM 0 HE2 MET A 71 -1.155 -6.996 -13.707 1.00 70.44 H new ATOM 0 HE3 MET A 71 -1.496 -8.381 -12.643 1.00 70.44 H new ATOM 1112 N LYS A 72 -6.029 -4.612 -13.507 1.00 52.15 N ATOM 1113 CA LYS A 72 -7.248 -5.408 -13.427 1.00 14.22 C ATOM 1114 C LYS A 72 -8.264 -4.954 -14.470 1.00 74.31 C ATOM 1115 O LYS A 72 -9.060 -5.752 -14.966 1.00 71.50 O ATOM 1116 CB LYS A 72 -7.859 -5.306 -12.028 1.00 64.43 C ATOM 1117 CG LYS A 72 -9.071 -6.198 -11.827 1.00 44.11 C ATOM 1118 CD LYS A 72 -9.167 -6.694 -10.393 1.00 74.24 C ATOM 1119 CE LYS A 72 -8.169 -7.808 -10.120 1.00 73.35 C ATOM 1120 NZ LYS A 72 -8.210 -8.253 -8.700 1.00 63.30 N ATOM 0 H LYS A 72 -5.893 -3.971 -12.725 1.00 52.15 H new ATOM 0 HA LYS A 72 -6.986 -6.447 -13.627 1.00 14.22 H new ATOM 0 HB2 LYS A 72 -7.101 -5.566 -11.290 1.00 64.43 H new ATOM 0 HB3 LYS A 72 -8.145 -4.271 -11.840 1.00 64.43 H new ATOM 0 HG2 LYS A 72 -9.976 -5.647 -12.084 1.00 44.11 H new ATOM 0 HG3 LYS A 72 -9.013 -7.050 -12.505 1.00 44.11 H new ATOM 0 HD2 LYS A 72 -8.986 -5.866 -9.708 1.00 74.24 H new ATOM 0 HD3 LYS A 72 -10.177 -7.054 -10.198 1.00 74.24 H new ATOM 0 HE2 LYS A 72 -8.382 -8.655 -10.772 1.00 73.35 H new ATOM 0 HE3 LYS A 72 -7.164 -7.463 -10.364 1.00 73.35 H new ATOM 0 HZ1 LYS A 72 -7.515 -9.013 -8.554 1.00 63.30 H new ATOM 0 HZ2 LYS A 72 -7.981 -7.451 -8.078 1.00 63.30 H new ATOM 0 HZ3 LYS A 72 -9.162 -8.606 -8.474 1.00 63.30 H new ATOM 1134 N LEU A 73 -8.230 -3.667 -14.801 1.00 12.14 N ATOM 1135 CA LEU A 73 -9.147 -3.106 -15.787 1.00 21.10 C ATOM 1136 C LEU A 73 -8.812 -3.608 -17.188 1.00 11.23 C ATOM 1137 O LEU A 73 -9.703 -3.953 -17.965 1.00 10.53 O ATOM 1138 CB LEU A 73 -9.090 -1.578 -15.754 1.00 50.31 C ATOM 1139 CG LEU A 73 -8.894 -0.944 -14.377 1.00 44.43 C ATOM 1140 CD1 LEU A 73 -9.027 0.569 -14.461 1.00 42.22 C ATOM 1141 CD2 LEU A 73 -9.892 -1.514 -13.379 1.00 72.41 C ATOM 0 H LEU A 73 -7.577 -2.993 -14.401 1.00 12.14 H new ATOM 0 HA LEU A 73 -10.156 -3.431 -15.535 1.00 21.10 H new ATOM 0 HB2 LEU A 73 -8.277 -1.251 -16.402 1.00 50.31 H new ATOM 0 HB3 LEU A 73 -10.014 -1.190 -16.182 1.00 50.31 H new ATOM 0 HG LEU A 73 -7.888 -1.181 -14.030 1.00 44.43 H new ATOM 0 HD11 LEU A 73 -8.884 1.002 -13.471 1.00 42.22 H new ATOM 0 HD12 LEU A 73 -8.273 0.963 -15.142 1.00 42.22 H new ATOM 0 HD13 LEU A 73 -10.019 0.827 -14.830 1.00 42.22 H new ATOM 0 HD21 LEU A 73 -9.737 -1.051 -12.405 1.00 72.41 H new ATOM 0 HD22 LEU A 73 -10.906 -1.309 -13.721 1.00 72.41 H new ATOM 0 HD23 LEU A 73 -9.748 -2.591 -13.296 1.00 72.41 H new ATOM 1153 N LEU A 74 -7.523 -3.646 -17.505 1.00 4.43 N ATOM 1154 CA LEU A 74 -7.069 -4.108 -18.813 1.00 1.42 C ATOM 1155 C LEU A 74 -7.178 -5.626 -18.922 1.00 23.31 C ATOM 1156 O LEU A 74 -7.258 -6.175 -20.020 1.00 34.35 O ATOM 1157 CB LEU A 74 -5.625 -3.670 -19.057 1.00 35.22 C ATOM 1158 CG LEU A 74 -5.393 -2.164 -19.186 1.00 42.23 C ATOM 1159 CD1 LEU A 74 -6.390 -1.551 -20.157 1.00 70.22 C ATOM 1160 CD2 LEU A 74 -5.490 -1.492 -17.824 1.00 43.41 C ATOM 0 H LEU A 74 -6.773 -3.363 -16.875 1.00 4.43 H new ATOM 0 HA LEU A 74 -7.711 -3.661 -19.572 1.00 1.42 H new ATOM 0 HB2 LEU A 74 -5.010 -4.043 -18.238 1.00 35.22 H new ATOM 0 HB3 LEU A 74 -5.269 -4.151 -19.968 1.00 35.22 H new ATOM 0 HG LEU A 74 -4.389 -2.002 -19.579 1.00 42.23 H new ATOM 0 HD11 LEU A 74 -6.209 -0.479 -20.236 1.00 70.22 H new ATOM 0 HD12 LEU A 74 -6.273 -2.012 -21.138 1.00 70.22 H new ATOM 0 HD13 LEU A 74 -7.404 -1.722 -19.794 1.00 70.22 H new ATOM 0 HD21 LEU A 74 -5.322 -0.421 -17.934 1.00 43.41 H new ATOM 0 HD22 LEU A 74 -6.481 -1.663 -17.404 1.00 43.41 H new ATOM 0 HD23 LEU A 74 -4.736 -1.911 -17.157 1.00 43.41 H new ATOM 1172 N GLU A 75 -7.181 -6.298 -17.774 1.00 11.02 N ATOM 1173 CA GLU A 75 -7.281 -7.753 -17.742 1.00 34.10 C ATOM 1174 C GLU A 75 -8.669 -8.212 -18.181 1.00 44.34 C ATOM 1175 O GLU A 75 -8.805 -9.178 -18.930 1.00 5.30 O ATOM 1176 CB GLU A 75 -6.979 -8.276 -16.336 1.00 35.54 C ATOM 1177 CG GLU A 75 -8.095 -9.122 -15.749 1.00 74.40 C ATOM 1178 CD GLU A 75 -7.712 -9.756 -14.425 1.00 54.21 C ATOM 1179 OE1 GLU A 75 -8.500 -10.576 -13.911 1.00 45.41 O ATOM 1180 OE2 GLU A 75 -6.625 -9.431 -13.904 1.00 51.41 O ATOM 0 H GLU A 75 -7.115 -5.859 -16.856 1.00 11.02 H new ATOM 0 HA GLU A 75 -6.546 -8.158 -18.438 1.00 34.10 H new ATOM 0 HB2 GLU A 75 -6.064 -8.867 -16.366 1.00 35.54 H new ATOM 0 HB3 GLU A 75 -6.790 -7.430 -15.675 1.00 35.54 H new ATOM 0 HG2 GLU A 75 -8.980 -8.502 -15.608 1.00 74.40 H new ATOM 0 HG3 GLU A 75 -8.364 -9.905 -16.458 1.00 74.40 H new ATOM 1188 N GLU A 76 -9.695 -7.513 -17.706 1.00 73.21 N ATOM 1189 CA GLU A 76 -11.071 -7.850 -18.047 1.00 12.04 C ATOM 1190 C GLU A 76 -11.432 -7.326 -19.434 1.00 45.20 C ATOM 1191 O GLU A 76 -12.021 -8.040 -20.246 1.00 42.44 O ATOM 1192 CB GLU A 76 -12.034 -7.275 -17.006 1.00 13.22 C ATOM 1193 CG GLU A 76 -12.011 -8.017 -15.680 1.00 13.43 C ATOM 1194 CD GLU A 76 -13.231 -7.724 -14.828 1.00 45.11 C ATOM 1195 OE1 GLU A 76 -13.280 -6.634 -14.218 1.00 5.01 O ATOM 1196 OE2 GLU A 76 -14.135 -8.583 -14.769 1.00 33.01 O ATOM 0 H GLU A 76 -9.599 -6.710 -17.084 1.00 73.21 H new ATOM 0 HA GLU A 76 -11.161 -8.936 -18.053 1.00 12.04 H new ATOM 0 HB2 GLU A 76 -11.784 -6.228 -16.831 1.00 13.22 H new ATOM 0 HB3 GLU A 76 -13.047 -7.298 -17.408 1.00 13.22 H new ATOM 0 HG2 GLU A 76 -11.953 -9.089 -15.868 1.00 13.43 H new ATOM 0 HG3 GLU A 76 -11.112 -7.741 -15.129 1.00 13.43 H new ATOM 1204 N ALA A 77 -11.075 -6.074 -19.698 1.00 72.04 N ATOM 1205 CA ALA A 77 -11.359 -5.453 -20.987 1.00 10.41 C ATOM 1206 C ALA A 77 -10.422 -5.980 -22.067 1.00 30.23 C ATOM 1207 O ALA A 77 -10.697 -5.849 -23.260 1.00 42.00 O ATOM 1208 CB ALA A 77 -11.248 -3.941 -20.880 1.00 75.52 C ATOM 0 H ALA A 77 -10.588 -5.469 -19.037 1.00 72.04 H new ATOM 0 HA ALA A 77 -12.379 -5.711 -21.271 1.00 10.41 H new ATOM 0 HB1 ALA A 77 -11.462 -3.491 -21.849 1.00 75.52 H new ATOM 0 HB2 ALA A 77 -11.963 -3.575 -20.144 1.00 75.52 H new ATOM 0 HB3 ALA A 77 -10.238 -3.671 -20.570 1.00 75.52 H new ATOM 1214 N GLY A 78 -9.311 -6.574 -21.643 1.00 25.15 N ATOM 1215 CA GLY A 78 -8.349 -7.111 -22.589 1.00 63.14 C ATOM 1216 C GLY A 78 -7.359 -6.066 -23.064 1.00 12.34 C ATOM 1217 O GLY A 78 -6.624 -6.288 -24.026 1.00 51.43 O ATOM 0 H GLY A 78 -9.059 -6.693 -20.662 1.00 25.15 H new ATOM 0 HA2 GLY A 78 -7.808 -7.935 -22.124 1.00 63.14 H new ATOM 0 HA3 GLY A 78 -8.879 -7.522 -23.448 1.00 63.14 H new ATOM 1221 N GLY A 79 -7.339 -4.920 -22.389 1.00 1.31 N ATOM 1222 CA GLY A 79 -6.429 -3.854 -22.764 1.00 54.51 C ATOM 1223 C GLY A 79 -7.124 -2.740 -23.522 1.00 24.03 C ATOM 1224 O GLY A 79 -6.582 -2.208 -24.490 1.00 35.01 O ATOM 0 H GLY A 79 -7.937 -4.711 -21.589 1.00 1.31 H new ATOM 0 HA2 GLY A 79 -5.964 -3.444 -21.867 1.00 54.51 H new ATOM 0 HA3 GLY A 79 -5.628 -4.264 -23.379 1.00 54.51 H new ATOM 1228 N ASN A 80 -8.328 -2.388 -23.083 1.00 74.40 N ATOM 1229 CA ASN A 80 -9.098 -1.332 -23.730 1.00 53.44 C ATOM 1230 C ASN A 80 -9.301 -0.151 -22.785 1.00 61.51 C ATOM 1231 O ASN A 80 -10.124 -0.208 -21.871 1.00 72.21 O ATOM 1232 CB ASN A 80 -10.455 -1.869 -24.189 1.00 0.24 C ATOM 1233 CG ASN A 80 -10.811 -1.415 -25.592 1.00 23.44 C ATOM 1234 OD1 ASN A 80 -11.022 -0.115 -25.757 1.00 53.34 O flip ATOM 1235 ND2 ASN A 80 -10.896 -2.225 -26.516 1.00 62.15 N flip ATOM 0 H ASN A 80 -8.791 -2.818 -22.283 1.00 74.40 H new ATOM 0 HA ASN A 80 -8.537 -0.989 -24.599 1.00 53.44 H new ATOM 0 HB2 ASN A 80 -10.442 -2.958 -24.155 1.00 0.24 H new ATOM 0 HB3 ASN A 80 -11.228 -1.537 -23.495 1.00 0.24 H new ATOM 0 HD21 ASN A 80 -10.725 -3.216 -26.343 1.00 62.15 H new ATOM 0 HD22 ASN A 80 -11.137 -1.905 -27.454 1.00 62.15 H new ATOM 1242 N TRP A 81 -8.546 0.918 -23.012 1.00 34.13 N ATOM 1243 CA TRP A 81 -8.643 2.113 -22.183 1.00 41.52 C ATOM 1244 C TRP A 81 -9.819 2.983 -22.614 1.00 2.12 C ATOM 1245 O TRP A 81 -10.314 3.803 -21.841 1.00 23.22 O ATOM 1246 CB TRP A 81 -7.344 2.917 -22.256 1.00 55.43 C ATOM 1247 CG TRP A 81 -6.149 2.162 -21.759 1.00 63.32 C ATOM 1248 CD1 TRP A 81 -5.386 1.277 -22.465 1.00 33.23 C ATOM 1249 CD2 TRP A 81 -5.582 2.225 -20.445 1.00 20.44 C ATOM 1250 NE1 TRP A 81 -4.378 0.786 -21.671 1.00 42.21 N ATOM 1251 CE2 TRP A 81 -4.476 1.352 -20.428 1.00 52.15 C ATOM 1252 CE3 TRP A 81 -5.898 2.935 -19.284 1.00 23.21 C ATOM 1253 CZ2 TRP A 81 -3.689 1.171 -19.293 1.00 74.52 C ATOM 1254 CZ3 TRP A 81 -5.117 2.753 -18.159 1.00 73.32 C ATOM 1255 CH2 TRP A 81 -4.022 1.878 -18.170 1.00 72.31 C ATOM 0 H TRP A 81 -7.860 0.981 -23.764 1.00 34.13 H new ATOM 0 HA TRP A 81 -8.809 1.796 -21.153 1.00 41.52 H new ATOM 0 HB2 TRP A 81 -7.170 3.219 -23.289 1.00 55.43 H new ATOM 0 HB3 TRP A 81 -7.457 3.830 -21.671 1.00 55.43 H new ATOM 0 HD1 TRP A 81 -5.551 1.003 -23.497 1.00 33.23 H new ATOM 0 HE1 TRP A 81 -3.671 0.110 -21.960 1.00 42.21 H new ATOM 0 HE3 TRP A 81 -6.738 3.614 -19.266 1.00 23.21 H new ATOM 0 HZ2 TRP A 81 -2.846 0.496 -19.299 1.00 74.52 H new ATOM 0 HZ3 TRP A 81 -5.354 3.294 -17.255 1.00 73.32 H new ATOM 0 HH2 TRP A 81 -3.430 1.760 -17.275 1.00 72.31 H new ATOM 1266 N SER A 82 -10.263 2.796 -23.854 1.00 60.25 N ATOM 1267 CA SER A 82 -11.379 3.566 -24.390 1.00 73.13 C ATOM 1268 C SER A 82 -12.587 3.490 -23.461 1.00 11.34 C ATOM 1269 O SER A 82 -13.126 4.514 -23.039 1.00 23.23 O ATOM 1270 CB SER A 82 -11.757 3.055 -25.781 1.00 75.31 C ATOM 1271 OG SER A 82 -12.719 3.900 -26.389 1.00 11.45 O ATOM 0 H SER A 82 -9.867 2.118 -24.505 1.00 60.25 H new ATOM 0 HA SER A 82 -11.067 4.608 -24.466 1.00 73.13 H new ATOM 0 HB2 SER A 82 -10.866 3.002 -26.407 1.00 75.31 H new ATOM 0 HB3 SER A 82 -12.153 2.043 -25.705 1.00 75.31 H new ATOM 0 HG SER A 82 -12.943 3.554 -27.278 1.00 11.45 H new ATOM 1277 N TYR A 83 -13.008 2.270 -23.147 1.00 64.24 N ATOM 1278 CA TYR A 83 -14.154 2.058 -22.271 1.00 25.20 C ATOM 1279 C TYR A 83 -13.781 2.320 -20.815 1.00 54.15 C ATOM 1280 O TYR A 83 -14.531 2.962 -20.078 1.00 0.20 O ATOM 1281 CB TYR A 83 -14.682 0.631 -22.424 1.00 23.33 C ATOM 1282 CG TYR A 83 -15.492 0.154 -21.240 1.00 0.21 C ATOM 1283 CD1 TYR A 83 -14.883 -0.490 -20.169 1.00 32.21 C ATOM 1284 CD2 TYR A 83 -16.867 0.349 -21.191 1.00 65.44 C ATOM 1285 CE1 TYR A 83 -15.620 -0.926 -19.086 1.00 64.11 C ATOM 1286 CE2 TYR A 83 -17.611 -0.084 -20.110 1.00 71.33 C ATOM 1287 CZ TYR A 83 -16.983 -0.722 -19.061 1.00 52.14 C ATOM 1288 OH TYR A 83 -17.720 -1.154 -17.981 1.00 31.55 O ATOM 0 H TYR A 83 -12.573 1.412 -23.486 1.00 64.24 H new ATOM 0 HA TYR A 83 -14.936 2.761 -22.560 1.00 25.20 H new ATOM 0 HB2 TYR A 83 -15.298 0.575 -23.321 1.00 23.33 H new ATOM 0 HB3 TYR A 83 -13.840 -0.045 -22.573 1.00 23.33 H new ATOM 0 HD1 TYR A 83 -13.815 -0.652 -20.184 1.00 32.21 H new ATOM 0 HD2 TYR A 83 -17.362 0.847 -22.011 1.00 65.44 H new ATOM 0 HE1 TYR A 83 -15.131 -1.425 -18.262 1.00 64.11 H new ATOM 0 HE2 TYR A 83 -18.679 0.076 -20.087 1.00 71.33 H new ATOM 0 HH TYR A 83 -18.664 -0.932 -18.120 1.00 31.55 H new ATOM 1298 N ILE A 84 -12.619 1.821 -20.408 1.00 71.21 N ATOM 1299 CA ILE A 84 -12.147 2.003 -19.042 1.00 62.22 C ATOM 1300 C ILE A 84 -12.060 3.483 -18.682 1.00 3.54 C ATOM 1301 O ILE A 84 -12.239 3.863 -17.524 1.00 22.54 O ATOM 1302 CB ILE A 84 -10.765 1.354 -18.833 1.00 51.31 C ATOM 1303 CG1 ILE A 84 -10.866 -0.166 -18.971 1.00 71.02 C ATOM 1304 CG2 ILE A 84 -10.204 1.732 -17.470 1.00 60.41 C ATOM 1305 CD1 ILE A 84 -9.522 -0.858 -19.023 1.00 61.31 C ATOM 0 H ILE A 84 -11.987 1.287 -21.005 1.00 71.21 H new ATOM 0 HA ILE A 84 -12.872 1.515 -18.390 1.00 62.22 H new ATOM 0 HB ILE A 84 -10.085 1.725 -19.600 1.00 51.31 H new ATOM 0 HG12 ILE A 84 -11.437 -0.562 -18.131 1.00 71.02 H new ATOM 0 HG13 ILE A 84 -11.424 -0.404 -19.877 1.00 71.02 H new ATOM 0 HG21 ILE A 84 -9.228 1.266 -17.337 1.00 60.41 H new ATOM 0 HG22 ILE A 84 -10.101 2.815 -17.407 1.00 60.41 H new ATOM 0 HG23 ILE A 84 -10.881 1.386 -16.689 1.00 60.41 H new ATOM 0 HD11 ILE A 84 -9.670 -1.933 -19.121 1.00 61.31 H new ATOM 0 HD12 ILE A 84 -8.956 -0.490 -19.879 1.00 61.31 H new ATOM 0 HD13 ILE A 84 -8.970 -0.650 -18.106 1.00 61.31 H new ATOM 1317 N LYS A 85 -11.789 4.314 -19.681 1.00 31.23 N ATOM 1318 CA LYS A 85 -11.682 5.752 -19.473 1.00 73.54 C ATOM 1319 C LYS A 85 -13.004 6.447 -19.785 1.00 20.42 C ATOM 1320 O LYS A 85 -13.110 7.671 -19.697 1.00 62.24 O ATOM 1321 CB LYS A 85 -10.570 6.335 -20.349 1.00 44.41 C ATOM 1322 CG LYS A 85 -11.055 6.829 -21.700 1.00 1.15 C ATOM 1323 CD LYS A 85 -9.967 6.722 -22.757 1.00 52.15 C ATOM 1324 CE LYS A 85 -8.657 7.322 -22.269 1.00 0.03 C ATOM 1325 NZ LYS A 85 -8.841 8.703 -21.745 1.00 44.03 N ATOM 0 H LYS A 85 -11.639 4.016 -20.645 1.00 31.23 H new ATOM 0 HA LYS A 85 -11.439 5.924 -18.425 1.00 73.54 H new ATOM 0 HB2 LYS A 85 -10.097 7.161 -19.818 1.00 44.41 H new ATOM 0 HB3 LYS A 85 -9.804 5.575 -20.503 1.00 44.41 H new ATOM 0 HG2 LYS A 85 -11.923 6.248 -22.010 1.00 1.15 H new ATOM 0 HG3 LYS A 85 -11.379 7.866 -21.614 1.00 1.15 H new ATOM 0 HD2 LYS A 85 -9.814 5.675 -23.019 1.00 52.15 H new ATOM 0 HD3 LYS A 85 -10.288 7.234 -23.664 1.00 52.15 H new ATOM 0 HE2 LYS A 85 -8.237 6.690 -21.487 1.00 0.03 H new ATOM 0 HE3 LYS A 85 -7.937 7.337 -23.087 1.00 0.03 H new ATOM 0 HZ1 LYS A 85 -8.034 9.293 -22.031 1.00 44.03 H new ATOM 0 HZ2 LYS A 85 -9.719 9.107 -22.131 1.00 44.03 H new ATOM 0 HZ3 LYS A 85 -8.900 8.676 -20.707 1.00 44.03 H new ATOM 1339 N LEU A 86 -14.010 5.659 -20.149 1.00 40.35 N ATOM 1340 CA LEU A 86 -15.326 6.198 -20.471 1.00 32.33 C ATOM 1341 C LEU A 86 -15.948 6.881 -19.258 1.00 61.24 C ATOM 1342 O LEU A 86 -16.900 7.651 -19.386 1.00 53.12 O ATOM 1343 CB LEU A 86 -16.248 5.083 -20.970 1.00 23.30 C ATOM 1344 CG LEU A 86 -17.582 5.531 -21.566 1.00 53.24 C ATOM 1345 CD1 LEU A 86 -17.527 5.500 -23.085 1.00 61.41 C ATOM 1346 CD2 LEU A 86 -18.716 4.655 -21.054 1.00 54.35 C ATOM 0 H LEU A 86 -13.939 4.645 -20.228 1.00 40.35 H new ATOM 0 HA LEU A 86 -15.203 6.941 -21.259 1.00 32.33 H new ATOM 0 HB2 LEU A 86 -15.712 4.506 -21.723 1.00 23.30 H new ATOM 0 HB3 LEU A 86 -16.453 4.409 -20.138 1.00 23.30 H new ATOM 0 HG LEU A 86 -17.771 6.557 -21.251 1.00 53.24 H new ATOM 0 HD11 LEU A 86 -18.486 5.822 -23.490 1.00 61.41 H new ATOM 0 HD12 LEU A 86 -16.742 6.170 -23.434 1.00 61.41 H new ATOM 0 HD13 LEU A 86 -17.314 4.485 -23.421 1.00 61.41 H new ATOM 0 HD21 LEU A 86 -19.658 4.989 -21.489 1.00 54.35 H new ATOM 0 HD22 LEU A 86 -18.532 3.619 -21.338 1.00 54.35 H new ATOM 0 HD23 LEU A 86 -18.771 4.729 -19.968 1.00 54.35 H new ATOM 1358 N ASP A 87 -15.402 6.596 -18.080 1.00 60.31 N ATOM 1359 CA ASP A 87 -15.900 7.186 -16.844 1.00 42.10 C ATOM 1360 C ASP A 87 -14.749 7.697 -15.983 1.00 53.24 C ATOM 1361 O ASP A 87 -14.860 7.768 -14.759 1.00 63.40 O ATOM 1362 CB ASP A 87 -16.723 6.161 -16.061 1.00 72.14 C ATOM 1363 CG ASP A 87 -17.816 5.532 -16.902 1.00 21.41 C ATOM 1364 OD1 ASP A 87 -17.592 4.424 -17.433 1.00 52.12 O ATOM 1365 OD2 ASP A 87 -18.895 6.148 -17.028 1.00 3.32 O ATOM 0 H ASP A 87 -14.614 5.960 -17.956 1.00 60.31 H new ATOM 0 HA ASP A 87 -16.538 8.031 -17.104 1.00 42.10 H new ATOM 0 HB2 ASP A 87 -16.062 5.380 -15.685 1.00 72.14 H new ATOM 0 HB3 ASP A 87 -17.170 6.645 -15.193 1.00 72.14 H new ATOM 1371 N ASN A 88 -13.644 8.051 -16.631 1.00 42.12 N ATOM 1372 CA ASN A 88 -12.471 8.554 -15.925 1.00 54.44 C ATOM 1373 C ASN A 88 -11.859 7.469 -15.044 1.00 51.40 C ATOM 1374 O ASN A 88 -11.451 7.730 -13.912 1.00 21.22 O ATOM 1375 CB ASN A 88 -12.845 9.767 -15.072 1.00 54.34 C ATOM 1376 CG ASN A 88 -11.749 10.816 -15.043 1.00 24.03 C ATOM 1377 OD1 ASN A 88 -10.514 10.373 -14.842 1.00 60.03 O flip ATOM 1378 ND2 ASN A 88 -12.011 12.008 -15.201 1.00 24.10 N flip ATOM 0 H ASN A 88 -13.536 7.999 -17.644 1.00 42.12 H new ATOM 0 HA ASN A 88 -11.732 8.854 -16.668 1.00 54.44 H new ATOM 0 HB2 ASN A 88 -13.760 10.213 -15.461 1.00 54.34 H new ATOM 0 HB3 ASN A 88 -13.058 9.440 -14.054 1.00 54.34 H new ATOM 0 HD21 ASN A 88 -12.976 12.302 -15.353 1.00 24.10 H new ATOM 0 HD22 ASN A 88 -11.263 12.702 -15.180 1.00 24.10 H new ATOM 1385 N TYR A 89 -11.800 6.251 -15.570 1.00 10.35 N ATOM 1386 CA TYR A 89 -11.240 5.125 -14.832 1.00 13.42 C ATOM 1387 C TYR A 89 -12.025 4.871 -13.548 1.00 72.41 C ATOM 1388 O TYR A 89 -11.448 4.587 -12.499 1.00 64.42 O ATOM 1389 CB TYR A 89 -9.770 5.385 -14.501 1.00 54.32 C ATOM 1390 CG TYR A 89 -8.913 5.651 -15.718 1.00 13.04 C ATOM 1391 CD1 TYR A 89 -9.227 5.088 -16.949 1.00 12.01 C ATOM 1392 CD2 TYR A 89 -7.790 6.464 -15.638 1.00 71.42 C ATOM 1393 CE1 TYR A 89 -8.447 5.328 -18.065 1.00 40.54 C ATOM 1394 CE2 TYR A 89 -7.005 6.711 -16.747 1.00 11.00 C ATOM 1395 CZ TYR A 89 -7.337 6.139 -17.958 1.00 74.33 C ATOM 1396 OH TYR A 89 -6.558 6.381 -19.067 1.00 44.54 O ATOM 0 H TYR A 89 -12.133 6.018 -16.505 1.00 10.35 H new ATOM 0 HA TYR A 89 -11.312 4.239 -15.462 1.00 13.42 H new ATOM 0 HB2 TYR A 89 -9.704 6.239 -13.827 1.00 54.32 H new ATOM 0 HB3 TYR A 89 -9.369 4.524 -13.966 1.00 54.32 H new ATOM 0 HD1 TYR A 89 -10.095 4.452 -17.035 1.00 12.01 H new ATOM 0 HD2 TYR A 89 -7.526 6.911 -14.691 1.00 71.42 H new ATOM 0 HE1 TYR A 89 -8.705 4.883 -19.015 1.00 40.54 H new ATOM 0 HE2 TYR A 89 -6.137 7.348 -16.667 1.00 11.00 H new ATOM 0 HH TYR A 89 -6.177 5.538 -19.390 1.00 44.54 H new ATOM 1406 N THR A 90 -13.347 4.976 -13.640 1.00 53.21 N ATOM 1407 CA THR A 90 -14.213 4.759 -12.488 1.00 63.45 C ATOM 1408 C THR A 90 -13.899 3.431 -11.806 1.00 73.30 C ATOM 1409 O THR A 90 -14.074 3.288 -10.597 1.00 24.43 O ATOM 1410 CB THR A 90 -15.700 4.777 -12.891 1.00 61.31 C ATOM 1411 OG1 THR A 90 -16.093 6.106 -13.249 1.00 10.42 O ATOM 1412 CG2 THR A 90 -16.574 4.273 -11.753 1.00 5.44 C ATOM 0 H THR A 90 -13.841 5.210 -14.501 1.00 53.21 H new ATOM 0 HA THR A 90 -14.023 5.576 -11.792 1.00 63.45 H new ATOM 0 HB THR A 90 -15.831 4.117 -13.748 1.00 61.31 H new ATOM 0 HG1 THR A 90 -15.309 6.607 -13.558 1.00 10.42 H new ATOM 0 HG21 THR A 90 -17.620 4.295 -12.060 1.00 5.44 H new ATOM 0 HG22 THR A 90 -16.291 3.251 -11.502 1.00 5.44 H new ATOM 0 HG23 THR A 90 -16.439 4.912 -10.880 1.00 5.44 H new ATOM 1420 N ALA A 91 -13.434 2.464 -12.591 1.00 75.35 N ATOM 1421 CA ALA A 91 -13.093 1.150 -12.062 1.00 11.11 C ATOM 1422 C ALA A 91 -12.096 1.262 -10.913 1.00 31.25 C ATOM 1423 O ALA A 91 -12.137 0.479 -9.963 1.00 74.40 O ATOM 1424 CB ALA A 91 -12.532 0.266 -13.166 1.00 12.33 C ATOM 0 H ALA A 91 -13.285 2.567 -13.595 1.00 75.35 H new ATOM 0 HA ALA A 91 -14.004 0.694 -11.674 1.00 11.11 H new ATOM 0 HB1 ALA A 91 -12.282 -0.713 -12.757 1.00 12.33 H new ATOM 0 HB2 ALA A 91 -13.277 0.150 -13.953 1.00 12.33 H new ATOM 0 HB3 ALA A 91 -11.635 0.726 -13.580 1.00 12.33 H new ATOM 1430 N LEU A 92 -11.200 2.239 -11.006 1.00 14.45 N ATOM 1431 CA LEU A 92 -10.191 2.453 -9.975 1.00 0.24 C ATOM 1432 C LEU A 92 -10.828 2.972 -8.691 1.00 44.23 C ATOM 1433 O LEU A 92 -10.394 2.633 -7.589 1.00 61.23 O ATOM 1434 CB LEU A 92 -9.132 3.440 -10.468 1.00 23.13 C ATOM 1435 CG LEU A 92 -9.487 4.922 -10.346 1.00 42.01 C ATOM 1436 CD1 LEU A 92 -9.059 5.464 -8.991 1.00 54.43 C ATOM 1437 CD2 LEU A 92 -8.841 5.720 -11.469 1.00 22.32 C ATOM 0 H LEU A 92 -11.152 2.895 -11.785 1.00 14.45 H new ATOM 0 HA LEU A 92 -9.715 1.496 -9.762 1.00 0.24 H new ATOM 0 HB2 LEU A 92 -8.211 3.261 -9.913 1.00 23.13 H new ATOM 0 HB3 LEU A 92 -8.921 3.223 -11.515 1.00 23.13 H new ATOM 0 HG LEU A 92 -10.569 5.024 -10.430 1.00 42.01 H new ATOM 0 HD11 LEU A 92 -9.320 6.520 -8.923 1.00 54.43 H new ATOM 0 HD12 LEU A 92 -9.569 4.912 -8.201 1.00 54.43 H new ATOM 0 HD13 LEU A 92 -7.981 5.348 -8.877 1.00 54.43 H new ATOM 0 HD21 LEU A 92 -9.105 6.773 -11.366 1.00 22.32 H new ATOM 0 HD22 LEU A 92 -7.758 5.611 -11.417 1.00 22.32 H new ATOM 0 HD23 LEU A 92 -9.197 5.349 -12.430 1.00 22.32 H new ATOM 1449 N VAL A 93 -11.862 3.794 -8.838 1.00 63.44 N ATOM 1450 CA VAL A 93 -12.561 4.357 -7.689 1.00 75.42 C ATOM 1451 C VAL A 93 -13.152 3.258 -6.813 1.00 52.22 C ATOM 1452 O VAL A 93 -12.940 3.235 -5.601 1.00 51.00 O ATOM 1453 CB VAL A 93 -13.689 5.310 -8.130 1.00 11.14 C ATOM 1454 CG1 VAL A 93 -14.637 5.586 -6.973 1.00 32.40 C ATOM 1455 CG2 VAL A 93 -13.108 6.605 -8.677 1.00 45.04 C ATOM 0 H VAL A 93 -12.234 4.085 -9.742 1.00 63.44 H new ATOM 0 HA VAL A 93 -11.825 4.919 -7.114 1.00 75.42 H new ATOM 0 HB VAL A 93 -14.258 4.830 -8.926 1.00 11.14 H new ATOM 0 HG11 VAL A 93 -15.427 6.261 -7.303 1.00 32.40 H new ATOM 0 HG12 VAL A 93 -15.078 4.649 -6.633 1.00 32.40 H new ATOM 0 HG13 VAL A 93 -14.086 6.046 -6.153 1.00 32.40 H new ATOM 0 HG21 VAL A 93 -13.918 7.266 -8.984 1.00 45.04 H new ATOM 0 HG22 VAL A 93 -12.515 7.093 -7.904 1.00 45.04 H new ATOM 0 HG23 VAL A 93 -12.474 6.385 -9.536 1.00 45.04 H new ATOM 1465 N ASP A 94 -13.895 2.349 -7.435 1.00 75.54 N ATOM 1466 CA ASP A 94 -14.517 1.246 -6.712 1.00 52.03 C ATOM 1467 C ASP A 94 -13.481 0.191 -6.336 1.00 33.14 C ATOM 1468 O ASP A 94 -13.621 -0.499 -5.326 1.00 74.45 O ATOM 1469 CB ASP A 94 -15.624 0.613 -7.557 1.00 74.42 C ATOM 1470 CG ASP A 94 -16.699 -0.037 -6.710 1.00 43.30 C ATOM 1471 OD1 ASP A 94 -17.771 0.579 -6.534 1.00 20.23 O ATOM 1472 OD2 ASP A 94 -16.469 -1.164 -6.223 1.00 10.24 O ATOM 0 H ASP A 94 -14.081 2.354 -8.438 1.00 75.54 H new ATOM 0 HA ASP A 94 -14.953 1.645 -5.796 1.00 52.03 H new ATOM 0 HB2 ASP A 94 -16.076 1.377 -8.189 1.00 74.42 H new ATOM 0 HB3 ASP A 94 -15.188 -0.133 -8.221 1.00 74.42 H new ATOM 1478 N ALA A 95 -12.443 0.070 -7.156 1.00 1.05 N ATOM 1479 CA ALA A 95 -11.383 -0.900 -6.910 1.00 41.34 C ATOM 1480 C ALA A 95 -10.566 -0.521 -5.679 1.00 73.34 C ATOM 1481 O ALA A 95 -10.454 -1.300 -4.732 1.00 75.40 O ATOM 1482 CB ALA A 95 -10.481 -1.018 -8.129 1.00 71.21 C ATOM 0 H ALA A 95 -12.313 0.632 -7.997 1.00 1.05 H new ATOM 0 HA ALA A 95 -11.848 -1.868 -6.721 1.00 41.34 H new ATOM 0 HB1 ALA A 95 -9.694 -1.746 -7.930 1.00 71.21 H new ATOM 0 HB2 ALA A 95 -11.069 -1.344 -8.987 1.00 71.21 H new ATOM 0 HB3 ALA A 95 -10.032 -0.048 -8.345 1.00 71.21 H new ATOM 1488 N ILE A 96 -9.998 0.681 -5.701 1.00 65.04 N ATOM 1489 CA ILE A 96 -9.192 1.164 -4.586 1.00 4.10 C ATOM 1490 C ILE A 96 -9.995 1.172 -3.290 1.00 50.04 C ATOM 1491 O ILE A 96 -9.517 0.722 -2.248 1.00 74.32 O ATOM 1492 CB ILE A 96 -8.654 2.582 -4.853 1.00 0.31 C ATOM 1493 CG1 ILE A 96 -7.746 2.583 -6.084 1.00 64.03 C ATOM 1494 CG2 ILE A 96 -7.905 3.102 -3.635 1.00 51.02 C ATOM 1495 CD1 ILE A 96 -6.475 1.783 -5.898 1.00 1.24 C ATOM 0 H ILE A 96 -10.081 1.337 -6.478 1.00 65.04 H new ATOM 0 HA ILE A 96 -8.351 0.479 -4.485 1.00 4.10 H new ATOM 0 HB ILE A 96 -9.498 3.244 -5.047 1.00 0.31 H new ATOM 0 HG12 ILE A 96 -8.298 2.180 -6.933 1.00 64.03 H new ATOM 0 HG13 ILE A 96 -7.485 3.612 -6.332 1.00 64.03 H new ATOM 0 HG21 ILE A 96 -7.531 4.105 -3.839 1.00 51.02 H new ATOM 0 HG22 ILE A 96 -8.579 3.133 -2.779 1.00 51.02 H new ATOM 0 HG23 ILE A 96 -7.068 2.440 -3.413 1.00 51.02 H new ATOM 0 HD11 ILE A 96 -5.880 1.828 -6.810 1.00 1.24 H new ATOM 0 HD12 ILE A 96 -5.901 2.199 -5.070 1.00 1.24 H new ATOM 0 HD13 ILE A 96 -6.727 0.745 -5.680 1.00 1.24 H new ATOM 1507 N TYR A 97 -11.218 1.685 -3.362 1.00 3.32 N ATOM 1508 CA TYR A 97 -12.089 1.752 -2.194 1.00 63.44 C ATOM 1509 C TYR A 97 -12.367 0.358 -1.640 1.00 41.10 C ATOM 1510 O TYR A 97 -12.568 0.184 -0.438 1.00 11.22 O ATOM 1511 CB TYR A 97 -13.405 2.443 -2.553 1.00 54.51 C ATOM 1512 CG TYR A 97 -13.407 3.928 -2.267 1.00 31.13 C ATOM 1513 CD1 TYR A 97 -12.533 4.783 -2.928 1.00 23.12 C ATOM 1514 CD2 TYR A 97 -14.282 4.476 -1.338 1.00 41.31 C ATOM 1515 CE1 TYR A 97 -12.531 6.140 -2.671 1.00 45.14 C ATOM 1516 CE2 TYR A 97 -14.288 5.832 -1.076 1.00 64.55 C ATOM 1517 CZ TYR A 97 -13.410 6.661 -1.744 1.00 4.43 C ATOM 1518 OH TYR A 97 -13.411 8.011 -1.484 1.00 15.32 O ATOM 0 H TYR A 97 -11.629 2.061 -4.217 1.00 3.32 H new ATOM 0 HA TYR A 97 -11.579 2.333 -1.425 1.00 63.44 H new ATOM 0 HB2 TYR A 97 -13.612 2.285 -3.612 1.00 54.51 H new ATOM 0 HB3 TYR A 97 -14.216 1.973 -1.996 1.00 54.51 H new ATOM 0 HD1 TYR A 97 -11.844 4.379 -3.655 1.00 23.12 H new ATOM 0 HD2 TYR A 97 -14.970 3.831 -0.811 1.00 41.31 H new ATOM 0 HE1 TYR A 97 -11.845 6.790 -3.193 1.00 45.14 H new ATOM 0 HE2 TYR A 97 -14.977 6.242 -0.352 1.00 64.55 H new ATOM 0 HH TYR A 97 -14.090 8.213 -0.807 1.00 15.32 H new ATOM 1528 N SER A 98 -12.376 -0.632 -2.526 1.00 24.51 N ATOM 1529 CA SER A 98 -12.631 -2.012 -2.129 1.00 41.12 C ATOM 1530 C SER A 98 -11.404 -2.622 -1.460 1.00 63.52 C ATOM 1531 O SER A 98 -11.477 -3.125 -0.339 1.00 54.25 O ATOM 1532 CB SER A 98 -13.033 -2.849 -3.344 1.00 14.11 C ATOM 1533 OG SER A 98 -14.434 -2.803 -3.554 1.00 0.25 O ATOM 0 H SER A 98 -12.210 -0.504 -3.524 1.00 24.51 H new ATOM 0 HA SER A 98 -13.451 -2.011 -1.411 1.00 41.12 H new ATOM 0 HB2 SER A 98 -12.517 -2.480 -4.230 1.00 14.11 H new ATOM 0 HB3 SER A 98 -12.718 -3.882 -3.198 1.00 14.11 H new ATOM 0 HG SER A 98 -14.647 -2.083 -4.184 1.00 0.25 H new ATOM 1539 N VAL A 99 -10.273 -2.574 -2.158 1.00 32.23 N ATOM 1540 CA VAL A 99 -9.027 -3.120 -1.634 1.00 4.30 C ATOM 1541 C VAL A 99 -8.586 -2.375 -0.379 1.00 64.20 C ATOM 1542 O VAL A 99 -8.333 -2.986 0.660 1.00 75.34 O ATOM 1543 CB VAL A 99 -7.899 -3.053 -2.681 1.00 53.01 C ATOM 1544 CG1 VAL A 99 -6.683 -3.832 -2.206 1.00 22.51 C ATOM 1545 CG2 VAL A 99 -8.388 -3.575 -4.024 1.00 65.12 C ATOM 0 H VAL A 99 -10.195 -2.162 -3.088 1.00 32.23 H new ATOM 0 HA VAL A 99 -9.219 -4.164 -1.385 1.00 4.30 H new ATOM 0 HB VAL A 99 -7.605 -2.011 -2.808 1.00 53.01 H new ATOM 0 HG11 VAL A 99 -5.897 -3.773 -2.958 1.00 22.51 H new ATOM 0 HG12 VAL A 99 -6.322 -3.407 -1.270 1.00 22.51 H new ATOM 0 HG13 VAL A 99 -6.958 -4.875 -2.049 1.00 22.51 H new ATOM 0 HG21 VAL A 99 -7.579 -3.521 -4.752 1.00 65.12 H new ATOM 0 HG22 VAL A 99 -8.710 -4.611 -3.916 1.00 65.12 H new ATOM 0 HG23 VAL A 99 -9.226 -2.968 -4.367 1.00 65.12 H new ATOM 1555 N GLU A 100 -8.495 -1.053 -0.484 1.00 45.35 N ATOM 1556 CA GLU A 100 -8.084 -0.225 0.645 1.00 64.20 C ATOM 1557 C GLU A 100 -8.901 -0.556 1.890 1.00 61.50 C ATOM 1558 O GLU A 100 -8.412 -0.444 3.014 1.00 13.41 O ATOM 1559 CB GLU A 100 -8.237 1.258 0.300 1.00 62.03 C ATOM 1560 CG GLU A 100 -9.655 1.777 0.462 1.00 61.22 C ATOM 1561 CD GLU A 100 -9.795 3.230 0.054 1.00 23.41 C ATOM 1562 OE1 GLU A 100 -8.825 3.785 -0.505 1.00 20.11 O ATOM 1563 OE2 GLU A 100 -10.873 3.814 0.293 1.00 24.21 O ATOM 0 H GLU A 100 -8.700 -0.533 -1.337 1.00 45.35 H new ATOM 0 HA GLU A 100 -7.035 -0.436 0.854 1.00 64.20 H new ATOM 0 HB2 GLU A 100 -7.571 1.841 0.936 1.00 62.03 H new ATOM 0 HB3 GLU A 100 -7.916 1.418 -0.729 1.00 62.03 H new ATOM 0 HG2 GLU A 100 -10.331 1.168 -0.138 1.00 61.22 H new ATOM 0 HG3 GLU A 100 -9.962 1.664 1.502 1.00 61.22 H new