USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 727 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 41 SER OG : rot 139:sc= 0.835 USER MOD Set 1.2: A 112 SER OG : rot -170:sc=-0.00333 USER MOD Set 2.1: A 98 GLN : amide:sc= -0.906 K(o=-1.1,f=-4) USER MOD Set 2.2: A 101 LYS NZ :NH3+ -152:sc= -0.146 (180deg=-0.829) USER MOD Set 3.1: A 83 ASN : amide:sc= -0.0314 K(o=-4.9,f=-5.6) USER MOD Set 3.2: A 100 HIS :FLIP no HD1:sc= -4.86! C(o=-6.7!,f=-4.9!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.294 USER MOD Single : A 37 LYS NZ :NH3+ 156:sc= 0.502 (180deg=0.136) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0119) USER MOD Single : A 51 TYR OH : rot 29:sc= -3.71! USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0637 USER MOD Single : A 61 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.023) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 122:sc= -0.0666 (180deg=-0.5) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 74:sc= 1.13 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 89:sc= 0.99 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -10:sc= 0.0104 USER MOD Single : A 115 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.044) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 471 N ASN A 29 -19.746 -3.034 -37.487 1.00 50.43 N ATOM 472 CA ASN A 29 -21.198 -2.909 -37.539 1.00 4.23 C ATOM 473 C ASN A 29 -21.802 -3.006 -36.141 1.00 62.04 C ATOM 474 O ASN A 29 -22.311 -4.055 -35.745 1.00 44.23 O ATOM 475 CB ASN A 29 -21.793 -3.993 -38.440 1.00 31.15 C ATOM 476 CG ASN A 29 -21.389 -3.824 -39.892 1.00 64.22 C ATOM 477 OD1 ASN A 29 -20.621 -4.622 -40.431 1.00 41.35 O ATOM 478 ND2 ASN A 29 -21.905 -2.781 -40.531 1.00 71.15 N ATOM 0 HA ASN A 29 -21.439 -1.930 -37.953 1.00 4.23 H new ATOM 0 HB2 ASN A 29 -21.470 -4.972 -38.087 1.00 31.15 H new ATOM 0 HB3 ASN A 29 -22.880 -3.969 -38.363 1.00 31.15 H new ATOM 0 HD21 ASN A 29 -21.669 -2.615 -41.509 1.00 71.15 H new ATOM 0 HD22 ASN A 29 -22.537 -2.146 -40.044 1.00 71.15 H new ATOM 485 N ARG A 30 -21.742 -1.905 -35.399 1.00 71.12 N ATOM 486 CA ARG A 30 -22.282 -1.865 -34.046 1.00 73.20 C ATOM 487 C ARG A 30 -23.213 -0.670 -33.867 1.00 13.32 C ATOM 488 O ARG A 30 -22.987 0.396 -34.438 1.00 51.42 O ATOM 489 CB ARG A 30 -21.147 -1.799 -33.022 1.00 33.31 C ATOM 490 CG ARG A 30 -20.004 -2.758 -33.318 1.00 15.33 C ATOM 491 CD ARG A 30 -18.837 -2.540 -32.368 1.00 63.02 C ATOM 492 NE ARG A 30 -18.426 -1.140 -32.317 1.00 64.32 N ATOM 493 CZ ARG A 30 -17.723 -0.616 -31.319 1.00 54.10 C ATOM 494 NH1 ARG A 30 -17.358 -1.372 -30.293 1.00 23.41 N ATOM 495 NH2 ARG A 30 -17.387 0.667 -31.344 1.00 43.15 N ATOM 0 H ARG A 30 -21.325 -1.029 -35.713 1.00 71.12 H new ATOM 0 HA ARG A 30 -22.855 -2.778 -33.884 1.00 73.20 H new ATOM 0 HB2 ARG A 30 -20.757 -0.782 -32.989 1.00 33.31 H new ATOM 0 HB3 ARG A 30 -21.548 -2.019 -32.033 1.00 33.31 H new ATOM 0 HG2 ARG A 30 -20.358 -3.785 -33.233 1.00 15.33 H new ATOM 0 HG3 ARG A 30 -19.669 -2.621 -34.346 1.00 15.33 H new ATOM 0 HD2 ARG A 30 -19.117 -2.872 -31.368 1.00 63.02 H new ATOM 0 HD3 ARG A 30 -17.993 -3.154 -32.683 1.00 63.02 H new ATOM 0 HE ARG A 30 -18.693 -0.531 -33.090 1.00 64.32 H new ATOM 0 HH11 ARG A 30 -17.617 -2.358 -30.269 1.00 23.41 H new ATOM 0 HH12 ARG A 30 -16.818 -0.967 -29.528 1.00 23.41 H new ATOM 0 HH21 ARG A 30 -17.668 1.253 -32.130 1.00 43.15 H new ATOM 0 HH22 ARG A 30 -16.847 1.068 -30.577 1.00 43.15 H new ATOM 509 N ILE A 31 -24.261 -0.857 -33.070 1.00 41.13 N ATOM 510 CA ILE A 31 -25.225 0.206 -32.816 1.00 53.32 C ATOM 511 C ILE A 31 -25.212 0.620 -31.348 1.00 42.32 C ATOM 512 O ILE A 31 -25.926 0.062 -30.513 1.00 43.44 O ATOM 513 CB ILE A 31 -26.652 -0.223 -33.204 1.00 72.32 C ATOM 514 CG1 ILE A 31 -26.891 -1.685 -32.817 1.00 43.11 C ATOM 515 CG2 ILE A 31 -26.880 -0.019 -34.694 1.00 73.43 C ATOM 516 CD1 ILE A 31 -28.276 -2.183 -33.166 1.00 70.21 C ATOM 0 H ILE A 31 -24.463 -1.734 -32.590 1.00 41.13 H new ATOM 0 HA ILE A 31 -24.929 1.054 -33.433 1.00 53.32 H new ATOM 0 HB ILE A 31 -27.363 0.398 -32.660 1.00 72.32 H new ATOM 0 HG12 ILE A 31 -26.152 -2.311 -33.317 1.00 43.11 H new ATOM 0 HG13 ILE A 31 -26.732 -1.799 -31.745 1.00 43.11 H new ATOM 0 HG21 ILE A 31 -27.893 -0.327 -34.953 1.00 73.43 H new ATOM 0 HG22 ILE A 31 -26.746 1.034 -34.942 1.00 73.43 H new ATOM 0 HG23 ILE A 31 -26.164 -0.618 -35.257 1.00 73.43 H new ATOM 0 HD11 ILE A 31 -28.375 -3.226 -32.864 1.00 70.21 H new ATOM 0 HD12 ILE A 31 -29.021 -1.582 -32.645 1.00 70.21 H new ATOM 0 HD13 ILE A 31 -28.432 -2.101 -34.242 1.00 70.21 H new ATOM 528 N PRO A 32 -24.384 1.624 -31.024 1.00 44.13 N ATOM 529 CA PRO A 32 -24.260 2.138 -29.657 1.00 32.34 C ATOM 530 C PRO A 32 -25.507 2.891 -29.204 1.00 71.52 C ATOM 531 O PRO A 32 -25.633 4.095 -29.428 1.00 21.41 O ATOM 532 CB PRO A 32 -23.063 3.089 -29.743 1.00 34.34 C ATOM 533 CG PRO A 32 -23.018 3.513 -31.169 1.00 45.43 C ATOM 534 CD PRO A 32 -23.505 2.335 -31.967 1.00 52.34 C ATOM 0 HA PRO A 32 -24.134 1.336 -28.930 1.00 32.34 H new ATOM 0 HB2 PRO A 32 -23.189 3.945 -29.079 1.00 34.34 H new ATOM 0 HB3 PRO A 32 -22.139 2.590 -29.449 1.00 34.34 H new ATOM 0 HG2 PRO A 32 -23.649 4.386 -31.337 1.00 45.43 H new ATOM 0 HG3 PRO A 32 -22.005 3.791 -31.462 1.00 45.43 H new ATOM 0 HD2 PRO A 32 -24.045 2.650 -32.860 1.00 52.34 H new ATOM 0 HD3 PRO A 32 -22.679 1.706 -32.299 1.00 52.34 H new ATOM 542 N VAL A 33 -26.427 2.173 -28.567 1.00 3.24 N ATOM 543 CA VAL A 33 -27.663 2.774 -28.082 1.00 13.34 C ATOM 544 C VAL A 33 -27.520 3.234 -26.636 1.00 12.43 C ATOM 545 O VAL A 33 -26.700 2.706 -25.884 1.00 35.43 O ATOM 546 CB VAL A 33 -28.843 1.788 -28.181 1.00 51.43 C ATOM 547 CG1 VAL A 33 -29.201 1.530 -29.637 1.00 71.12 C ATOM 548 CG2 VAL A 33 -28.511 0.487 -27.466 1.00 42.43 C ATOM 0 H VAL A 33 -26.339 1.175 -28.375 1.00 3.24 H new ATOM 0 HA VAL A 33 -27.866 3.637 -28.716 1.00 13.34 H new ATOM 0 HB VAL A 33 -29.709 2.233 -27.692 1.00 51.43 H new ATOM 0 HG11 VAL A 33 -30.036 0.832 -29.688 1.00 71.12 H new ATOM 0 HG12 VAL A 33 -29.483 2.469 -30.114 1.00 71.12 H new ATOM 0 HG13 VAL A 33 -28.340 1.105 -30.153 1.00 71.12 H new ATOM 0 HG21 VAL A 33 -29.355 -0.198 -27.546 1.00 42.43 H new ATOM 0 HG22 VAL A 33 -27.632 0.034 -27.924 1.00 42.43 H new ATOM 0 HG23 VAL A 33 -28.308 0.691 -26.415 1.00 42.43 H new ATOM 558 N ILE A 34 -28.323 4.222 -26.253 1.00 34.20 N ATOM 559 CA ILE A 34 -28.287 4.751 -24.896 1.00 5.55 C ATOM 560 C ILE A 34 -29.668 4.707 -24.250 1.00 74.13 C ATOM 561 O ILE A 34 -30.592 5.395 -24.687 1.00 62.11 O ATOM 562 CB ILE A 34 -27.770 6.202 -24.871 1.00 24.52 C ATOM 563 CG1 ILE A 34 -26.344 6.267 -25.423 1.00 43.25 C ATOM 564 CG2 ILE A 34 -27.820 6.760 -23.457 1.00 72.21 C ATOM 565 CD1 ILE A 34 -25.810 7.676 -25.555 1.00 5.31 C ATOM 0 H ILE A 34 -29.006 4.671 -26.863 1.00 34.20 H new ATOM 0 HA ILE A 34 -27.603 4.118 -24.330 1.00 5.55 H new ATOM 0 HB ILE A 34 -28.415 6.812 -25.504 1.00 24.52 H new ATOM 0 HG12 ILE A 34 -25.684 5.697 -24.769 1.00 43.25 H new ATOM 0 HG13 ILE A 34 -26.319 5.785 -26.400 1.00 43.25 H new ATOM 0 HG21 ILE A 34 -27.451 7.786 -23.457 1.00 72.21 H new ATOM 0 HG22 ILE A 34 -28.848 6.744 -23.096 1.00 72.21 H new ATOM 0 HG23 ILE A 34 -27.196 6.151 -22.803 1.00 72.21 H new ATOM 0 HD11 ILE A 34 -24.795 7.645 -25.952 1.00 5.31 H new ATOM 0 HD12 ILE A 34 -26.447 8.245 -26.232 1.00 5.31 H new ATOM 0 HD13 ILE A 34 -25.802 8.155 -24.576 1.00 5.31 H new ATOM 577 N CYS A 35 -29.802 3.893 -23.209 1.00 53.22 N ATOM 578 CA CYS A 35 -31.071 3.759 -22.501 1.00 44.04 C ATOM 579 C CYS A 35 -31.064 4.574 -21.213 1.00 41.23 C ATOM 580 O CYS A 35 -30.142 4.470 -20.407 1.00 25.15 O ATOM 581 CB CYS A 35 -31.350 2.288 -22.187 1.00 52.14 C ATOM 582 SG CYS A 35 -33.008 1.736 -22.651 1.00 15.05 S ATOM 0 H CYS A 35 -29.048 3.316 -22.836 1.00 53.22 H new ATOM 0 HA CYS A 35 -31.861 4.142 -23.147 1.00 44.04 H new ATOM 0 HB2 CYS A 35 -30.615 1.671 -22.705 1.00 52.14 H new ATOM 0 HB3 CYS A 35 -31.209 2.123 -21.119 1.00 52.14 H new ATOM 0 HG CYS A 35 -33.148 0.480 -22.348 1.00 15.05 H new ATOM 588 N GLU A 36 -32.101 5.387 -21.028 1.00 23.13 N ATOM 589 CA GLU A 36 -32.212 6.222 -19.838 1.00 44.22 C ATOM 590 C GLU A 36 -33.273 5.676 -18.887 1.00 53.24 C ATOM 591 O GLU A 36 -34.046 4.787 -19.246 1.00 3.24 O ATOM 592 CB GLU A 36 -32.553 7.662 -20.229 1.00 74.41 C ATOM 593 CG GLU A 36 -31.332 8.538 -20.451 1.00 62.14 C ATOM 594 CD GLU A 36 -30.924 9.298 -19.204 1.00 60.50 C ATOM 595 OE1 GLU A 36 -31.634 10.256 -18.833 1.00 44.34 O ATOM 596 OE2 GLU A 36 -29.894 8.933 -18.598 1.00 52.13 O ATOM 0 H GLU A 36 -32.874 5.484 -21.686 1.00 23.13 H new ATOM 0 HA GLU A 36 -31.250 6.210 -19.326 1.00 44.22 H new ATOM 0 HB2 GLU A 36 -33.152 7.650 -21.140 1.00 74.41 H new ATOM 0 HB3 GLU A 36 -33.170 8.105 -19.448 1.00 74.41 H new ATOM 0 HG2 GLU A 36 -30.500 7.917 -20.782 1.00 62.14 H new ATOM 0 HG3 GLU A 36 -31.539 9.247 -21.252 1.00 62.14 H new ATOM 603 N LYS A 37 -33.305 6.214 -17.673 1.00 45.32 N ATOM 604 CA LYS A 37 -34.270 5.783 -16.670 1.00 15.34 C ATOM 605 C LYS A 37 -35.411 6.789 -16.545 1.00 70.40 C ATOM 606 O LYS A 37 -35.258 7.843 -15.929 1.00 63.31 O ATOM 607 CB LYS A 37 -33.583 5.606 -15.314 1.00 14.24 C ATOM 608 CG LYS A 37 -34.550 5.350 -14.170 1.00 4.43 C ATOM 609 CD LYS A 37 -33.831 5.302 -12.833 1.00 11.32 C ATOM 610 CE LYS A 37 -34.603 6.052 -11.757 1.00 64.12 C ATOM 611 NZ LYS A 37 -35.995 5.543 -11.617 1.00 51.34 N ATOM 0 H LYS A 37 -32.673 6.950 -17.360 1.00 45.32 H new ATOM 0 HA LYS A 37 -34.684 4.827 -16.989 1.00 15.34 H new ATOM 0 HB2 LYS A 37 -32.881 4.775 -15.378 1.00 14.24 H new ATOM 0 HB3 LYS A 37 -33.000 6.500 -15.092 1.00 14.24 H new ATOM 0 HG2 LYS A 37 -35.307 6.134 -14.149 1.00 4.43 H new ATOM 0 HG3 LYS A 37 -35.072 4.408 -14.337 1.00 4.43 H new ATOM 0 HD2 LYS A 37 -33.696 4.264 -12.529 1.00 11.32 H new ATOM 0 HD3 LYS A 37 -32.836 5.736 -12.938 1.00 11.32 H new ATOM 0 HE2 LYS A 37 -34.084 5.956 -10.804 1.00 64.12 H new ATOM 0 HE3 LYS A 37 -34.627 7.114 -12.001 1.00 64.12 H new ATOM 0 HZ1 LYS A 37 -36.349 5.759 -10.663 1.00 51.34 H new ATOM 0 HZ2 LYS A 37 -36.605 6.000 -12.325 1.00 51.34 H new ATOM 0 HZ3 LYS A 37 -36.005 4.514 -11.765 1.00 51.34 H new ATOM 625 N ALA A 38 -36.555 6.454 -17.133 1.00 4.11 N ATOM 626 CA ALA A 38 -37.722 7.325 -17.085 1.00 40.31 C ATOM 627 C ALA A 38 -38.127 7.622 -15.645 1.00 12.22 C ATOM 628 O ALA A 38 -38.007 6.766 -14.769 1.00 24.13 O ATOM 629 CB ALA A 38 -38.883 6.696 -17.842 1.00 64.14 C ATOM 0 H ALA A 38 -36.698 5.585 -17.648 1.00 4.11 H new ATOM 0 HA ALA A 38 -37.459 8.268 -17.563 1.00 40.31 H new ATOM 0 HB1 ALA A 38 -39.748 7.358 -17.797 1.00 64.14 H new ATOM 0 HB2 ALA A 38 -38.598 6.541 -18.883 1.00 64.14 H new ATOM 0 HB3 ALA A 38 -39.136 5.738 -17.389 1.00 64.14 H new ATOM 635 N GLU A 39 -38.606 8.839 -15.408 1.00 45.20 N ATOM 636 CA GLU A 39 -39.026 9.248 -14.073 1.00 63.32 C ATOM 637 C GLU A 39 -40.463 8.813 -13.798 1.00 4.25 C ATOM 638 O GLU A 39 -40.992 9.030 -12.707 1.00 22.11 O ATOM 639 CB GLU A 39 -38.901 10.765 -13.917 1.00 32.42 C ATOM 640 CG GLU A 39 -38.822 11.224 -12.471 1.00 34.45 C ATOM 641 CD GLU A 39 -38.386 12.670 -12.340 1.00 14.11 C ATOM 642 OE1 GLU A 39 -39.094 13.554 -12.868 1.00 73.31 O ATOM 643 OE2 GLU A 39 -37.338 12.918 -11.709 1.00 42.52 O ATOM 0 H GLU A 39 -38.713 9.559 -16.123 1.00 45.20 H new ATOM 0 HA GLU A 39 -38.373 8.761 -13.349 1.00 63.32 H new ATOM 0 HB2 GLU A 39 -38.010 11.104 -14.446 1.00 32.42 H new ATOM 0 HB3 GLU A 39 -39.757 11.243 -14.395 1.00 32.42 H new ATOM 0 HG2 GLU A 39 -39.797 11.099 -12.000 1.00 34.45 H new ATOM 0 HG3 GLU A 39 -38.122 10.587 -11.929 1.00 34.45 H new ATOM 650 N LYS A 40 -41.089 8.199 -14.795 1.00 55.34 N ATOM 651 CA LYS A 40 -42.465 7.732 -14.663 1.00 43.41 C ATOM 652 C LYS A 40 -42.511 6.217 -14.499 1.00 53.51 C ATOM 653 O LYS A 40 -43.171 5.519 -15.270 1.00 51.51 O ATOM 654 CB LYS A 40 -43.286 8.149 -15.886 1.00 64.41 C ATOM 655 CG LYS A 40 -43.396 9.654 -16.061 1.00 71.01 C ATOM 656 CD LYS A 40 -44.588 10.217 -15.303 1.00 64.22 C ATOM 657 CE LYS A 40 -44.647 11.733 -15.406 1.00 52.13 C ATOM 658 NZ LYS A 40 -45.462 12.331 -14.313 1.00 11.32 N ATOM 0 H LYS A 40 -40.666 8.013 -15.704 1.00 55.34 H new ATOM 0 HA LYS A 40 -42.894 8.190 -13.772 1.00 43.41 H new ATOM 0 HB2 LYS A 40 -42.834 7.720 -16.780 1.00 64.41 H new ATOM 0 HB3 LYS A 40 -44.288 7.727 -15.802 1.00 64.41 H new ATOM 0 HG2 LYS A 40 -42.481 10.130 -15.708 1.00 71.01 H new ATOM 0 HG3 LYS A 40 -43.491 9.892 -17.120 1.00 71.01 H new ATOM 0 HD2 LYS A 40 -45.508 9.788 -15.699 1.00 64.22 H new ATOM 0 HD3 LYS A 40 -44.525 9.924 -14.255 1.00 64.22 H new ATOM 0 HE2 LYS A 40 -43.636 12.139 -15.369 1.00 52.13 H new ATOM 0 HE3 LYS A 40 -45.069 12.015 -16.370 1.00 52.13 H new ATOM 0 HZ1 LYS A 40 -45.478 13.366 -14.418 1.00 11.32 H new ATOM 0 HZ2 LYS A 40 -46.433 11.963 -14.363 1.00 11.32 H new ATOM 0 HZ3 LYS A 40 -45.045 12.083 -13.393 1.00 11.32 H new ATOM 672 N SER A 41 -41.810 5.714 -13.489 1.00 31.02 N ATOM 673 CA SER A 41 -41.770 4.281 -13.223 1.00 41.25 C ATOM 674 C SER A 41 -40.998 3.986 -11.941 1.00 61.14 C ATOM 675 O SER A 41 -40.092 4.730 -11.564 1.00 73.31 O ATOM 676 CB SER A 41 -41.127 3.541 -14.400 1.00 14.55 C ATOM 677 OG SER A 41 -41.396 2.152 -14.336 1.00 53.13 O ATOM 0 H SER A 41 -41.261 6.278 -12.840 1.00 31.02 H new ATOM 0 HA SER A 41 -42.795 3.932 -13.097 1.00 41.25 H new ATOM 0 HB2 SER A 41 -41.506 3.945 -15.339 1.00 14.55 H new ATOM 0 HB3 SER A 41 -40.050 3.707 -14.393 1.00 14.55 H new ATOM 0 HG SER A 41 -41.603 1.817 -15.234 1.00 53.13 H new ATOM 683 N ASP A 42 -41.364 2.896 -11.275 1.00 40.33 N ATOM 684 CA ASP A 42 -40.706 2.502 -10.035 1.00 12.20 C ATOM 685 C ASP A 42 -39.490 1.626 -10.320 1.00 72.32 C ATOM 686 O ASP A 42 -38.881 1.076 -9.402 1.00 24.21 O ATOM 687 CB ASP A 42 -41.687 1.756 -9.128 1.00 5.01 C ATOM 688 CG ASP A 42 -41.180 1.634 -7.705 1.00 2.04 C ATOM 689 OD1 ASP A 42 -40.749 2.660 -7.138 1.00 51.00 O ATOM 690 OD2 ASP A 42 -41.214 0.512 -7.157 1.00 24.05 O ATOM 0 H ASP A 42 -42.112 2.270 -11.573 1.00 40.33 H new ATOM 0 HA ASP A 42 -40.369 3.406 -9.527 1.00 12.20 H new ATOM 0 HB2 ASP A 42 -42.644 2.277 -9.126 1.00 5.01 H new ATOM 0 HB3 ASP A 42 -41.867 0.760 -9.533 1.00 5.01 H new ATOM 695 N ILE A 43 -39.145 1.498 -11.596 1.00 65.03 N ATOM 696 CA ILE A 43 -38.003 0.689 -12.001 1.00 60.21 C ATOM 697 C ILE A 43 -36.688 1.382 -11.656 1.00 61.04 C ATOM 698 O ILE A 43 -36.489 2.564 -11.937 1.00 30.12 O ATOM 699 CB ILE A 43 -38.031 0.390 -13.512 1.00 12.32 C ATOM 700 CG1 ILE A 43 -37.134 -0.807 -13.834 1.00 13.22 C ATOM 701 CG2 ILE A 43 -37.595 1.615 -14.302 1.00 63.23 C ATOM 702 CD1 ILE A 43 -37.354 -1.370 -15.221 1.00 24.34 C ATOM 0 H ILE A 43 -39.640 1.945 -12.368 1.00 65.03 H new ATOM 0 HA ILE A 43 -38.072 -0.250 -11.452 1.00 60.21 H new ATOM 0 HB ILE A 43 -39.052 0.141 -13.800 1.00 12.32 H new ATOM 0 HG12 ILE A 43 -36.091 -0.507 -13.734 1.00 13.22 H new ATOM 0 HG13 ILE A 43 -37.312 -1.592 -13.099 1.00 13.22 H new ATOM 0 HG21 ILE A 43 -37.620 1.388 -15.368 1.00 63.23 H new ATOM 0 HG22 ILE A 43 -38.271 2.443 -14.091 1.00 63.23 H new ATOM 0 HG23 ILE A 43 -36.581 1.892 -14.014 1.00 63.23 H new ATOM 0 HD11 ILE A 43 -36.685 -2.216 -15.381 1.00 24.34 H new ATOM 0 HD12 ILE A 43 -38.388 -1.701 -15.319 1.00 24.34 H new ATOM 0 HD13 ILE A 43 -37.148 -0.599 -15.964 1.00 24.34 H new ATOM 714 N PRO A 44 -35.768 0.629 -11.035 1.00 14.05 N ATOM 715 CA PRO A 44 -34.456 1.148 -10.641 1.00 1.03 C ATOM 716 C PRO A 44 -33.558 1.428 -11.841 1.00 53.24 C ATOM 717 O PRO A 44 -33.759 0.871 -12.919 1.00 43.31 O ATOM 718 CB PRO A 44 -33.870 0.022 -9.786 1.00 74.13 C ATOM 719 CG PRO A 44 -34.553 -1.212 -10.266 1.00 14.12 C ATOM 720 CD PRO A 44 -35.938 -0.788 -10.670 1.00 15.51 C ATOM 0 HA PRO A 44 -34.536 2.101 -10.118 1.00 1.03 H new ATOM 0 HB2 PRO A 44 -32.790 -0.049 -9.911 1.00 74.13 H new ATOM 0 HB3 PRO A 44 -34.057 0.191 -8.726 1.00 74.13 H new ATOM 0 HG2 PRO A 44 -34.018 -1.652 -11.108 1.00 14.12 H new ATOM 0 HG3 PRO A 44 -34.589 -1.968 -9.482 1.00 14.12 H new ATOM 0 HD2 PRO A 44 -36.310 -1.377 -11.508 1.00 15.51 H new ATOM 0 HD3 PRO A 44 -36.650 -0.910 -9.854 1.00 15.51 H new ATOM 728 N GLU A 45 -32.569 2.294 -11.646 1.00 30.33 N ATOM 729 CA GLU A 45 -31.641 2.647 -12.714 1.00 34.20 C ATOM 730 C GLU A 45 -30.937 1.406 -13.255 1.00 50.22 C ATOM 731 O GLU A 45 -31.195 0.288 -12.807 1.00 31.22 O ATOM 732 CB GLU A 45 -30.605 3.653 -12.208 1.00 40.51 C ATOM 733 CG GLU A 45 -29.373 3.006 -11.601 1.00 40.41 C ATOM 734 CD GLU A 45 -28.630 3.934 -10.659 1.00 73.12 C ATOM 735 OE1 GLU A 45 -29.117 5.061 -10.430 1.00 33.21 O ATOM 736 OE2 GLU A 45 -27.562 3.532 -10.151 1.00 31.13 O ATOM 0 H GLU A 45 -32.390 2.764 -10.759 1.00 30.33 H new ATOM 0 HA GLU A 45 -32.214 3.101 -13.523 1.00 34.20 H new ATOM 0 HB2 GLU A 45 -30.298 4.293 -13.035 1.00 40.51 H new ATOM 0 HB3 GLU A 45 -31.071 4.297 -11.463 1.00 40.51 H new ATOM 0 HG2 GLU A 45 -29.669 2.107 -11.061 1.00 40.41 H new ATOM 0 HG3 GLU A 45 -28.701 2.692 -12.400 1.00 40.41 H new ATOM 743 N ILE A 46 -30.049 1.611 -14.221 1.00 50.53 N ATOM 744 CA ILE A 46 -29.308 0.510 -14.824 1.00 43.34 C ATOM 745 C ILE A 46 -27.844 0.534 -14.397 1.00 71.23 C ATOM 746 O ILE A 46 -27.269 1.599 -14.179 1.00 5.13 O ATOM 747 CB ILE A 46 -29.384 0.555 -16.362 1.00 12.13 C ATOM 748 CG1 ILE A 46 -30.843 0.555 -16.823 1.00 12.32 C ATOM 749 CG2 ILE A 46 -28.633 -0.624 -16.963 1.00 41.55 C ATOM 750 CD1 ILE A 46 -31.514 -0.795 -16.705 1.00 54.30 C ATOM 0 H ILE A 46 -29.825 2.530 -14.603 1.00 50.53 H new ATOM 0 HA ILE A 46 -29.771 -0.412 -14.473 1.00 43.34 H new ATOM 0 HB ILE A 46 -28.914 1.476 -16.708 1.00 12.13 H new ATOM 0 HG12 ILE A 46 -31.402 1.282 -16.234 1.00 12.32 H new ATOM 0 HG13 ILE A 46 -30.888 0.884 -17.861 1.00 12.32 H new ATOM 0 HG21 ILE A 46 -28.695 -0.579 -18.050 1.00 41.55 H new ATOM 0 HG22 ILE A 46 -27.587 -0.583 -16.657 1.00 41.55 H new ATOM 0 HG23 ILE A 46 -29.077 -1.555 -16.612 1.00 41.55 H new ATOM 0 HD11 ILE A 46 -32.545 -0.720 -17.049 1.00 54.30 H new ATOM 0 HD12 ILE A 46 -30.979 -1.522 -17.317 1.00 54.30 H new ATOM 0 HD13 ILE A 46 -31.502 -1.118 -15.664 1.00 54.30 H new ATOM 762 N ASP A 47 -27.248 -0.648 -14.283 1.00 21.13 N ATOM 763 CA ASP A 47 -25.850 -0.763 -13.885 1.00 71.33 C ATOM 764 C ASP A 47 -24.948 0.016 -14.838 1.00 15.12 C ATOM 765 O ASP A 47 -24.175 0.875 -14.413 1.00 64.51 O ATOM 766 CB ASP A 47 -25.427 -2.233 -13.851 1.00 64.21 C ATOM 767 CG ASP A 47 -24.146 -2.449 -13.070 1.00 3.31 C ATOM 768 OD1 ASP A 47 -23.082 -1.995 -13.541 1.00 22.51 O ATOM 769 OD2 ASP A 47 -24.206 -3.071 -11.989 1.00 3.10 O ATOM 0 H ASP A 47 -27.711 -1.539 -14.460 1.00 21.13 H new ATOM 0 HA ASP A 47 -25.746 -0.339 -12.886 1.00 71.33 H new ATOM 0 HB2 ASP A 47 -26.225 -2.827 -13.406 1.00 64.21 H new ATOM 0 HB3 ASP A 47 -25.292 -2.593 -14.871 1.00 64.21 H new ATOM 774 N LYS A 48 -25.053 -0.289 -16.126 1.00 22.30 N ATOM 775 CA LYS A 48 -24.247 0.382 -17.140 1.00 75.03 C ATOM 776 C LYS A 48 -25.042 1.492 -17.819 1.00 21.14 C ATOM 777 O LYS A 48 -26.262 1.573 -17.674 1.00 55.13 O ATOM 778 CB LYS A 48 -23.762 -0.625 -18.185 1.00 74.14 C ATOM 779 CG LYS A 48 -22.512 -1.379 -17.770 1.00 21.44 C ATOM 780 CD LYS A 48 -21.253 -0.687 -18.266 1.00 43.31 C ATOM 781 CE LYS A 48 -20.750 0.341 -17.264 1.00 74.20 C ATOM 782 NZ LYS A 48 -19.288 0.585 -17.406 1.00 1.32 N ATOM 0 H LYS A 48 -25.689 -0.997 -16.494 1.00 22.30 H new ATOM 0 HA LYS A 48 -23.383 0.827 -16.646 1.00 75.03 H new ATOM 0 HB2 LYS A 48 -24.559 -1.342 -18.384 1.00 74.14 H new ATOM 0 HB3 LYS A 48 -23.565 -0.100 -19.120 1.00 74.14 H new ATOM 0 HG2 LYS A 48 -22.479 -1.461 -16.684 1.00 21.44 H new ATOM 0 HG3 LYS A 48 -22.550 -2.394 -18.165 1.00 21.44 H new ATOM 0 HD2 LYS A 48 -20.476 -1.430 -18.448 1.00 43.31 H new ATOM 0 HD3 LYS A 48 -21.456 -0.198 -19.219 1.00 43.31 H new ATOM 0 HE2 LYS A 48 -21.290 1.278 -17.403 1.00 74.20 H new ATOM 0 HE3 LYS A 48 -20.964 -0.003 -16.252 1.00 74.20 H new ATOM 0 HZ1 LYS A 48 -18.984 1.291 -16.706 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 -18.771 -0.303 -17.248 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 -19.086 0.938 -18.363 1.00 1.32 H new ATOM 796 N ARG A 49 -24.344 2.346 -18.559 1.00 65.44 N ATOM 797 CA ARG A 49 -24.985 3.452 -19.261 1.00 44.12 C ATOM 798 C ARG A 49 -25.133 3.140 -20.747 1.00 52.13 C ATOM 799 O ARG A 49 -26.224 3.246 -21.309 1.00 4.45 O ATOM 800 CB ARG A 49 -24.177 4.738 -19.078 1.00 22.33 C ATOM 801 CG ARG A 49 -24.879 5.978 -19.603 1.00 13.54 C ATOM 802 CD ARG A 49 -25.833 6.558 -18.570 1.00 13.50 C ATOM 803 NE ARG A 49 -25.161 7.481 -17.660 1.00 24.25 N ATOM 804 CZ ARG A 49 -25.799 8.384 -16.923 1.00 72.13 C ATOM 805 NH1 ARG A 49 -27.120 8.483 -16.989 1.00 25.23 N ATOM 806 NH2 ARG A 49 -25.117 9.189 -16.119 1.00 21.45 N ATOM 0 H ARG A 49 -23.334 2.294 -18.688 1.00 65.44 H new ATOM 0 HA ARG A 49 -25.979 3.591 -18.835 1.00 44.12 H new ATOM 0 HB2 ARG A 49 -23.962 4.874 -18.018 1.00 22.33 H new ATOM 0 HB3 ARG A 49 -23.219 4.631 -19.587 1.00 22.33 H new ATOM 0 HG2 ARG A 49 -24.138 6.729 -19.877 1.00 13.54 H new ATOM 0 HG3 ARG A 49 -25.430 5.729 -20.510 1.00 13.54 H new ATOM 0 HD2 ARG A 49 -26.645 7.078 -19.078 1.00 13.50 H new ATOM 0 HD3 ARG A 49 -26.283 5.747 -17.997 1.00 13.50 H new ATOM 0 HE ARG A 49 -24.145 7.430 -17.586 1.00 24.25 H new ATOM 0 HH11 ARG A 49 -27.648 7.865 -17.606 1.00 25.23 H new ATOM 0 HH12 ARG A 49 -27.608 9.177 -16.423 1.00 25.23 H new ATOM 0 HH21 ARG A 49 -24.101 9.115 -16.066 1.00 21.45 H new ATOM 0 HH22 ARG A 49 -25.609 9.882 -15.554 1.00 21.45 H new ATOM 820 N LYS A 50 -24.030 2.754 -21.379 1.00 0.32 N ATOM 821 CA LYS A 50 -24.036 2.426 -22.800 1.00 21.31 C ATOM 822 C LYS A 50 -24.456 0.976 -23.021 1.00 41.20 C ATOM 823 O LYS A 50 -24.243 0.121 -22.162 1.00 62.40 O ATOM 824 CB LYS A 50 -22.650 2.664 -23.405 1.00 14.32 C ATOM 825 CG LYS A 50 -22.398 4.111 -23.796 1.00 33.52 C ATOM 826 CD LYS A 50 -21.950 4.940 -22.604 1.00 52.14 C ATOM 827 CE LYS A 50 -21.426 6.300 -23.038 1.00 2.22 C ATOM 828 NZ LYS A 50 -22.488 7.127 -23.675 1.00 11.44 N ATOM 0 H LYS A 50 -23.119 2.660 -20.929 1.00 0.32 H new ATOM 0 HA LYS A 50 -24.758 3.075 -23.295 1.00 21.31 H new ATOM 0 HB2 LYS A 50 -21.891 2.353 -22.687 1.00 14.32 H new ATOM 0 HB3 LYS A 50 -22.534 2.033 -24.286 1.00 14.32 H new ATOM 0 HG2 LYS A 50 -21.637 4.151 -24.575 1.00 33.52 H new ATOM 0 HG3 LYS A 50 -23.308 4.539 -24.217 1.00 33.52 H new ATOM 0 HD2 LYS A 50 -22.786 5.073 -21.917 1.00 52.14 H new ATOM 0 HD3 LYS A 50 -21.172 4.406 -22.059 1.00 52.14 H new ATOM 0 HE2 LYS A 50 -21.025 6.828 -22.173 1.00 2.22 H new ATOM 0 HE3 LYS A 50 -20.602 6.165 -23.739 1.00 2.22 H new ATOM 0 HZ1 LYS A 50 -22.109 8.070 -23.895 1.00 11.44 H new ATOM 0 HZ2 LYS A 50 -22.806 6.668 -24.553 1.00 11.44 H new ATOM 0 HZ3 LYS A 50 -23.293 7.221 -23.023 1.00 11.44 H new ATOM 842 N TYR A 51 -25.053 0.709 -24.177 1.00 73.30 N ATOM 843 CA TYR A 51 -25.504 -0.637 -24.510 1.00 43.24 C ATOM 844 C TYR A 51 -24.988 -1.060 -25.883 1.00 3.12 C ATOM 845 O TYR A 51 -25.578 -0.726 -26.912 1.00 23.35 O ATOM 846 CB TYR A 51 -27.032 -0.707 -24.485 1.00 10.12 C ATOM 847 CG TYR A 51 -27.632 -0.345 -23.145 1.00 3.21 C ATOM 848 CD1 TYR A 51 -27.814 0.984 -22.779 1.00 72.44 C ATOM 849 CD2 TYR A 51 -28.015 -1.330 -22.244 1.00 22.21 C ATOM 850 CE1 TYR A 51 -28.362 1.319 -21.556 1.00 3.34 C ATOM 851 CE2 TYR A 51 -28.564 -1.004 -21.019 1.00 23.22 C ATOM 852 CZ TYR A 51 -28.735 0.322 -20.680 1.00 33.31 C ATOM 853 OH TYR A 51 -29.280 0.651 -19.460 1.00 1.24 O ATOM 0 H TYR A 51 -25.236 1.406 -24.899 1.00 73.30 H new ATOM 0 HA TYR A 51 -25.103 -1.322 -23.763 1.00 43.24 H new ATOM 0 HB2 TYR A 51 -27.431 -0.036 -25.246 1.00 10.12 H new ATOM 0 HB3 TYR A 51 -27.346 -1.716 -24.754 1.00 10.12 H new ATOM 0 HD1 TYR A 51 -27.522 1.768 -23.462 1.00 72.44 H new ATOM 0 HD2 TYR A 51 -27.881 -2.369 -22.506 1.00 22.21 H new ATOM 0 HE1 TYR A 51 -28.497 2.356 -21.288 1.00 3.34 H new ATOM 0 HE2 TYR A 51 -28.858 -1.783 -20.331 1.00 23.22 H new ATOM 0 HH TYR A 51 -29.750 1.508 -19.532 1.00 1.24 H new ATOM 863 N LEU A 52 -23.884 -1.798 -25.889 1.00 71.22 N ATOM 864 CA LEU A 52 -23.286 -2.269 -27.135 1.00 34.44 C ATOM 865 C LEU A 52 -24.069 -3.449 -27.702 1.00 34.25 C ATOM 866 O LEU A 52 -23.992 -4.565 -27.187 1.00 41.14 O ATOM 867 CB LEU A 52 -21.830 -2.674 -26.902 1.00 44.04 C ATOM 868 CG LEU A 52 -20.894 -2.530 -28.103 1.00 4.21 C ATOM 869 CD1 LEU A 52 -21.438 -3.294 -29.300 1.00 75.03 C ATOM 870 CD2 LEU A 52 -20.695 -1.062 -28.451 1.00 42.11 C ATOM 0 H LEU A 52 -23.384 -2.083 -25.047 1.00 71.22 H new ATOM 0 HA LEU A 52 -23.319 -1.453 -27.857 1.00 34.44 H new ATOM 0 HB2 LEU A 52 -21.433 -2.074 -26.083 1.00 44.04 H new ATOM 0 HB3 LEU A 52 -21.811 -3.713 -26.574 1.00 44.04 H new ATOM 0 HG LEU A 52 -19.926 -2.955 -27.837 1.00 4.21 H new ATOM 0 HD11 LEU A 52 -20.758 -3.179 -30.144 1.00 75.03 H new ATOM 0 HD12 LEU A 52 -21.528 -4.350 -29.047 1.00 75.03 H new ATOM 0 HD13 LEU A 52 -22.419 -2.901 -29.568 1.00 75.03 H new ATOM 0 HD21 LEU A 52 -20.026 -0.979 -29.308 1.00 42.11 H new ATOM 0 HD22 LEU A 52 -21.657 -0.613 -28.697 1.00 42.11 H new ATOM 0 HD23 LEU A 52 -20.259 -0.542 -27.598 1.00 42.11 H new ATOM 882 N VAL A 53 -24.823 -3.195 -28.767 1.00 42.21 N ATOM 883 CA VAL A 53 -25.618 -4.236 -29.408 1.00 24.13 C ATOM 884 C VAL A 53 -25.271 -4.361 -30.887 1.00 53.31 C ATOM 885 O VAL A 53 -24.918 -3.386 -31.551 1.00 24.13 O ATOM 886 CB VAL A 53 -27.125 -3.958 -29.266 1.00 15.43 C ATOM 887 CG1 VAL A 53 -27.675 -4.621 -28.012 1.00 11.53 C ATOM 888 CG2 VAL A 53 -27.391 -2.460 -29.248 1.00 60.14 C ATOM 0 H VAL A 53 -24.900 -2.277 -29.204 1.00 42.21 H new ATOM 0 HA VAL A 53 -25.380 -5.172 -28.903 1.00 24.13 H new ATOM 0 HB VAL A 53 -27.638 -4.385 -30.128 1.00 15.43 H new ATOM 0 HG11 VAL A 53 -28.742 -4.413 -27.929 1.00 11.53 H new ATOM 0 HG12 VAL A 53 -27.519 -5.698 -28.071 1.00 11.53 H new ATOM 0 HG13 VAL A 53 -27.159 -4.227 -27.136 1.00 11.53 H new ATOM 0 HG21 VAL A 53 -28.462 -2.282 -29.147 1.00 60.14 H new ATOM 0 HG22 VAL A 53 -26.867 -2.007 -28.406 1.00 60.14 H new ATOM 0 HG23 VAL A 53 -27.035 -2.016 -30.178 1.00 60.14 H new ATOM 898 N PRO A 54 -25.377 -5.588 -31.419 1.00 25.24 N ATOM 899 CA PRO A 54 -25.080 -5.868 -32.826 1.00 63.14 C ATOM 900 C PRO A 54 -26.116 -5.266 -33.768 1.00 52.22 C ATOM 901 O PRO A 54 -27.248 -4.995 -33.370 1.00 74.51 O ATOM 902 CB PRO A 54 -25.116 -7.397 -32.898 1.00 54.21 C ATOM 903 CG PRO A 54 -26.007 -7.808 -31.777 1.00 55.42 C ATOM 904 CD PRO A 54 -25.793 -6.796 -30.686 1.00 43.41 C ATOM 0 HA PRO A 54 -24.129 -5.435 -33.136 1.00 63.14 H new ATOM 0 HB2 PRO A 54 -25.504 -7.739 -33.858 1.00 54.21 H new ATOM 0 HB3 PRO A 54 -24.118 -7.822 -32.787 1.00 54.21 H new ATOM 0 HG2 PRO A 54 -27.050 -7.826 -32.094 1.00 55.42 H new ATOM 0 HG3 PRO A 54 -25.762 -8.812 -31.431 1.00 55.42 H new ATOM 0 HD2 PRO A 54 -26.704 -6.624 -30.113 1.00 43.41 H new ATOM 0 HD3 PRO A 54 -25.029 -7.121 -29.980 1.00 43.41 H new ATOM 912 N ALA A 55 -25.721 -5.057 -35.020 1.00 24.02 N ATOM 913 CA ALA A 55 -26.616 -4.488 -36.019 1.00 62.32 C ATOM 914 C ALA A 55 -27.749 -5.452 -36.352 1.00 53.25 C ATOM 915 O ALA A 55 -28.711 -5.084 -37.029 1.00 34.43 O ATOM 916 CB ALA A 55 -25.841 -4.127 -37.278 1.00 51.44 C ATOM 0 H ALA A 55 -24.786 -5.274 -35.366 1.00 24.02 H new ATOM 0 HA ALA A 55 -27.055 -3.581 -35.603 1.00 62.32 H new ATOM 0 HB1 ALA A 55 -26.522 -3.703 -38.016 1.00 51.44 H new ATOM 0 HB2 ALA A 55 -25.070 -3.396 -37.034 1.00 51.44 H new ATOM 0 HB3 ALA A 55 -25.375 -5.023 -37.688 1.00 51.44 H new ATOM 922 N ASP A 56 -27.631 -6.686 -35.875 1.00 31.24 N ATOM 923 CA ASP A 56 -28.646 -7.702 -36.122 1.00 74.45 C ATOM 924 C ASP A 56 -29.473 -7.960 -34.866 1.00 74.14 C ATOM 925 O ASP A 56 -30.210 -8.945 -34.786 1.00 50.25 O ATOM 926 CB ASP A 56 -27.993 -9.003 -36.593 1.00 4.12 C ATOM 927 CG ASP A 56 -27.078 -9.604 -35.544 1.00 1.00 C ATOM 928 OD1 ASP A 56 -27.588 -10.296 -34.639 1.00 11.52 O ATOM 929 OD2 ASP A 56 -25.851 -9.382 -35.628 1.00 52.21 O ATOM 0 H ASP A 56 -26.841 -7.007 -35.315 1.00 31.24 H new ATOM 0 HA ASP A 56 -29.310 -7.334 -36.904 1.00 74.45 H new ATOM 0 HB2 ASP A 56 -28.769 -9.724 -36.850 1.00 4.12 H new ATOM 0 HB3 ASP A 56 -27.423 -8.812 -37.502 1.00 4.12 H new ATOM 934 N LEU A 57 -29.348 -7.071 -33.889 1.00 30.43 N ATOM 935 CA LEU A 57 -30.083 -7.202 -32.635 1.00 53.13 C ATOM 936 C LEU A 57 -31.529 -6.746 -32.802 1.00 12.34 C ATOM 937 O LEU A 57 -31.797 -5.702 -33.398 1.00 54.44 O ATOM 938 CB LEU A 57 -29.403 -6.387 -31.534 1.00 71.42 C ATOM 939 CG LEU A 57 -29.546 -6.930 -30.111 1.00 54.43 C ATOM 940 CD1 LEU A 57 -30.998 -6.870 -29.661 1.00 45.23 C ATOM 941 CD2 LEU A 57 -29.020 -8.355 -30.028 1.00 63.22 C ATOM 0 H LEU A 57 -28.744 -6.250 -33.940 1.00 30.43 H new ATOM 0 HA LEU A 57 -30.083 -8.254 -32.351 1.00 53.13 H new ATOM 0 HB2 LEU A 57 -28.341 -6.313 -31.768 1.00 71.42 H new ATOM 0 HB3 LEU A 57 -29.806 -5.375 -31.557 1.00 71.42 H new ATOM 0 HG LEU A 57 -28.953 -6.305 -29.443 1.00 54.43 H new ATOM 0 HD11 LEU A 57 -31.081 -7.260 -28.647 1.00 45.23 H new ATOM 0 HD12 LEU A 57 -31.343 -5.836 -29.681 1.00 45.23 H new ATOM 0 HD13 LEU A 57 -31.612 -7.471 -30.332 1.00 45.23 H new ATOM 0 HD21 LEU A 57 -29.130 -8.725 -29.008 1.00 63.22 H new ATOM 0 HD22 LEU A 57 -29.586 -8.992 -30.708 1.00 63.22 H new ATOM 0 HD23 LEU A 57 -27.967 -8.371 -30.308 1.00 63.22 H new ATOM 953 N THR A 58 -32.458 -7.533 -32.268 1.00 42.01 N ATOM 954 CA THR A 58 -33.877 -7.209 -32.357 1.00 22.03 C ATOM 955 C THR A 58 -34.417 -6.734 -31.013 1.00 41.12 C ATOM 956 O THR A 58 -33.896 -7.099 -29.959 1.00 55.45 O ATOM 957 CB THR A 58 -34.701 -8.421 -32.829 1.00 64.44 C ATOM 958 OG1 THR A 58 -34.165 -9.627 -32.271 1.00 4.34 O ATOM 959 CG2 THR A 58 -34.702 -8.518 -34.347 1.00 11.21 C ATOM 0 H THR A 58 -32.253 -8.399 -31.769 1.00 42.01 H new ATOM 0 HA THR A 58 -33.973 -6.407 -33.089 1.00 22.03 H new ATOM 0 HB THR A 58 -35.728 -8.287 -32.488 1.00 64.44 H new ATOM 0 HG1 THR A 58 -34.696 -10.392 -32.575 1.00 4.34 H new ATOM 0 HG21 THR A 58 -35.290 -9.382 -34.656 1.00 11.21 H new ATOM 0 HG22 THR A 58 -35.138 -7.612 -34.769 1.00 11.21 H new ATOM 0 HG23 THR A 58 -33.679 -8.629 -34.705 1.00 11.21 H new ATOM 967 N VAL A 59 -35.464 -5.916 -31.057 1.00 75.25 N ATOM 968 CA VAL A 59 -36.077 -5.392 -29.843 1.00 71.11 C ATOM 969 C VAL A 59 -36.377 -6.511 -28.852 1.00 51.21 C ATOM 970 O VAL A 59 -36.263 -6.329 -27.641 1.00 20.04 O ATOM 971 CB VAL A 59 -37.381 -4.633 -30.154 1.00 70.04 C ATOM 972 CG1 VAL A 59 -38.213 -5.396 -31.174 1.00 63.41 C ATOM 973 CG2 VAL A 59 -38.175 -4.394 -28.879 1.00 23.12 C ATOM 0 H VAL A 59 -35.905 -5.602 -31.921 1.00 75.25 H new ATOM 0 HA VAL A 59 -35.360 -4.700 -29.400 1.00 71.11 H new ATOM 0 HB VAL A 59 -37.124 -3.664 -30.582 1.00 70.04 H new ATOM 0 HG11 VAL A 59 -39.130 -4.845 -31.381 1.00 63.41 H new ATOM 0 HG12 VAL A 59 -37.643 -5.511 -32.096 1.00 63.41 H new ATOM 0 HG13 VAL A 59 -38.463 -6.380 -30.777 1.00 63.41 H new ATOM 0 HG21 VAL A 59 -39.093 -3.857 -29.117 1.00 23.12 H new ATOM 0 HG22 VAL A 59 -38.423 -5.351 -28.420 1.00 23.12 H new ATOM 0 HG23 VAL A 59 -37.578 -3.803 -28.184 1.00 23.12 H new ATOM 983 N GLY A 60 -36.762 -7.671 -29.376 1.00 54.02 N ATOM 984 CA GLY A 60 -37.073 -8.803 -28.524 1.00 34.44 C ATOM 985 C GLY A 60 -35.842 -9.379 -27.852 1.00 33.13 C ATOM 986 O GLY A 60 -35.869 -9.700 -26.664 1.00 0.51 O ATOM 0 H GLY A 60 -36.864 -7.846 -30.376 1.00 54.02 H new ATOM 0 HA2 GLY A 60 -37.788 -8.494 -27.762 1.00 34.44 H new ATOM 0 HA3 GLY A 60 -37.555 -9.579 -29.118 1.00 34.44 H new ATOM 990 N GLN A 61 -34.762 -9.510 -28.614 1.00 32.44 N ATOM 991 CA GLN A 61 -33.516 -10.054 -28.085 1.00 41.41 C ATOM 992 C GLN A 61 -32.909 -9.114 -27.048 1.00 71.54 C ATOM 993 O GLN A 61 -32.231 -9.554 -26.120 1.00 4.34 O ATOM 994 CB GLN A 61 -32.518 -10.295 -29.218 1.00 44.54 C ATOM 995 CG GLN A 61 -31.722 -11.581 -29.066 1.00 72.01 C ATOM 996 CD GLN A 61 -30.392 -11.533 -29.790 1.00 65.22 C ATOM 997 OE1 GLN A 61 -29.331 -11.619 -29.169 1.00 51.14 O ATOM 998 NE2 GLN A 61 -30.439 -11.396 -31.110 1.00 71.23 N ATOM 0 H GLN A 61 -34.724 -9.247 -29.599 1.00 32.44 H new ATOM 0 HA GLN A 61 -33.741 -11.004 -27.601 1.00 41.41 H new ATOM 0 HB2 GLN A 61 -33.056 -10.321 -30.165 1.00 44.54 H new ATOM 0 HB3 GLN A 61 -31.827 -9.454 -29.267 1.00 44.54 H new ATOM 0 HG2 GLN A 61 -31.548 -11.773 -28.007 1.00 72.01 H new ATOM 0 HG3 GLN A 61 -32.310 -12.415 -29.449 1.00 72.01 H new ATOM 0 HE21 GLN A 61 -31.340 -11.328 -31.584 1.00 71.23 H new ATOM 0 HE22 GLN A 61 -29.574 -11.358 -31.650 1.00 71.23 H new ATOM 1007 N PHE A 62 -33.158 -7.819 -27.213 1.00 61.02 N ATOM 1008 CA PHE A 62 -32.634 -6.817 -26.292 1.00 54.44 C ATOM 1009 C PHE A 62 -33.427 -6.810 -24.988 1.00 64.33 C ATOM 1010 O PHE A 62 -32.854 -6.739 -23.901 1.00 21.31 O ATOM 1011 CB PHE A 62 -32.678 -5.430 -26.937 1.00 11.12 C ATOM 1012 CG PHE A 62 -31.910 -4.390 -26.172 1.00 64.04 C ATOM 1013 CD1 PHE A 62 -30.642 -4.664 -25.685 1.00 31.43 C ATOM 1014 CD2 PHE A 62 -32.455 -3.137 -25.940 1.00 73.34 C ATOM 1015 CE1 PHE A 62 -29.932 -3.710 -24.981 1.00 44.31 C ATOM 1016 CE2 PHE A 62 -31.750 -2.178 -25.239 1.00 31.40 C ATOM 1017 CZ PHE A 62 -30.487 -2.465 -24.757 1.00 62.32 C ATOM 0 H PHE A 62 -33.719 -7.439 -27.975 1.00 61.02 H new ATOM 0 HA PHE A 62 -31.599 -7.072 -26.065 1.00 54.44 H new ATOM 0 HB2 PHE A 62 -32.277 -5.495 -27.949 1.00 11.12 H new ATOM 0 HB3 PHE A 62 -33.717 -5.112 -27.025 1.00 11.12 H new ATOM 0 HD1 PHE A 62 -30.203 -5.635 -25.858 1.00 31.43 H new ATOM 0 HD2 PHE A 62 -33.443 -2.908 -26.312 1.00 73.34 H new ATOM 0 HE1 PHE A 62 -28.945 -3.937 -24.607 1.00 44.31 H new ATOM 0 HE2 PHE A 62 -32.185 -1.205 -25.068 1.00 31.40 H new ATOM 0 HZ PHE A 62 -29.935 -1.718 -24.206 1.00 62.32 H new ATOM 1027 N VAL A 63 -34.748 -6.884 -25.106 1.00 55.34 N ATOM 1028 CA VAL A 63 -35.621 -6.887 -23.938 1.00 10.22 C ATOM 1029 C VAL A 63 -35.414 -8.144 -23.100 1.00 45.52 C ATOM 1030 O VAL A 63 -35.434 -8.093 -21.870 1.00 22.22 O ATOM 1031 CB VAL A 63 -37.104 -6.794 -24.345 1.00 13.34 C ATOM 1032 CG1 VAL A 63 -38.001 -6.893 -23.120 1.00 52.54 C ATOM 1033 CG2 VAL A 63 -37.367 -5.503 -25.105 1.00 63.14 C ATOM 0 H VAL A 63 -35.238 -6.943 -25.999 1.00 55.34 H new ATOM 0 HA VAL A 63 -35.359 -6.011 -23.345 1.00 10.22 H new ATOM 0 HB VAL A 63 -37.336 -7.631 -25.004 1.00 13.34 H new ATOM 0 HG11 VAL A 63 -39.045 -6.825 -23.427 1.00 52.54 H new ATOM 0 HG12 VAL A 63 -37.831 -7.847 -22.620 1.00 52.54 H new ATOM 0 HG13 VAL A 63 -37.771 -6.078 -22.434 1.00 52.54 H new ATOM 0 HG21 VAL A 63 -38.419 -5.453 -25.385 1.00 63.14 H new ATOM 0 HG22 VAL A 63 -37.120 -4.651 -24.472 1.00 63.14 H new ATOM 0 HG23 VAL A 63 -36.751 -5.478 -26.004 1.00 63.14 H new ATOM 1043 N TYR A 64 -35.215 -9.271 -23.775 1.00 31.22 N ATOM 1044 CA TYR A 64 -35.006 -10.543 -23.093 1.00 3.44 C ATOM 1045 C TYR A 64 -33.842 -10.448 -22.110 1.00 61.51 C ATOM 1046 O TYR A 64 -33.959 -10.845 -20.951 1.00 22.14 O ATOM 1047 CB TYR A 64 -34.740 -11.653 -24.110 1.00 31.42 C ATOM 1048 CG TYR A 64 -35.980 -12.425 -24.502 1.00 13.33 C ATOM 1049 CD1 TYR A 64 -36.769 -13.046 -23.541 1.00 11.23 C ATOM 1050 CD2 TYR A 64 -36.365 -12.531 -25.832 1.00 44.10 C ATOM 1051 CE1 TYR A 64 -37.903 -13.751 -23.894 1.00 22.14 C ATOM 1052 CE2 TYR A 64 -37.497 -13.234 -26.195 1.00 71.00 C ATOM 1053 CZ TYR A 64 -38.263 -13.843 -25.222 1.00 4.44 C ATOM 1054 OH TYR A 64 -39.392 -14.544 -25.578 1.00 63.04 O ATOM 0 H TYR A 64 -35.194 -9.330 -24.793 1.00 31.22 H new ATOM 0 HA TYR A 64 -35.912 -10.781 -22.535 1.00 3.44 H new ATOM 0 HB2 TYR A 64 -34.296 -11.216 -25.005 1.00 31.42 H new ATOM 0 HB3 TYR A 64 -34.007 -12.345 -23.696 1.00 31.42 H new ATOM 0 HD1 TYR A 64 -36.490 -12.976 -22.500 1.00 11.23 H new ATOM 0 HD2 TYR A 64 -35.768 -12.055 -26.596 1.00 44.10 H new ATOM 0 HE1 TYR A 64 -38.505 -14.228 -23.134 1.00 22.14 H new ATOM 0 HE2 TYR A 64 -37.781 -13.307 -27.234 1.00 71.00 H new ATOM 0 HH TYR A 64 -39.504 -14.511 -26.551 1.00 63.04 H new ATOM 1064 N VAL A 65 -32.717 -9.921 -22.584 1.00 2.42 N ATOM 1065 CA VAL A 65 -31.532 -9.772 -21.749 1.00 23.45 C ATOM 1066 C VAL A 65 -31.698 -8.627 -20.757 1.00 25.13 C ATOM 1067 O VAL A 65 -31.183 -8.680 -19.639 1.00 50.20 O ATOM 1068 CB VAL A 65 -30.273 -9.521 -22.601 1.00 12.42 C ATOM 1069 CG1 VAL A 65 -29.962 -10.733 -23.465 1.00 41.52 C ATOM 1070 CG2 VAL A 65 -30.451 -8.275 -23.457 1.00 23.32 C ATOM 0 H VAL A 65 -32.602 -9.590 -23.542 1.00 2.42 H new ATOM 0 HA VAL A 65 -31.411 -10.707 -21.202 1.00 23.45 H new ATOM 0 HB VAL A 65 -29.428 -9.357 -21.932 1.00 12.42 H new ATOM 0 HG11 VAL A 65 -29.070 -10.537 -24.059 1.00 41.52 H new ATOM 0 HG12 VAL A 65 -29.790 -11.600 -22.827 1.00 41.52 H new ATOM 0 HG13 VAL A 65 -30.803 -10.932 -24.129 1.00 41.52 H new ATOM 0 HG21 VAL A 65 -29.553 -8.112 -24.053 1.00 23.32 H new ATOM 0 HG22 VAL A 65 -31.307 -8.408 -24.119 1.00 23.32 H new ATOM 0 HG23 VAL A 65 -30.621 -7.412 -22.813 1.00 23.32 H new ATOM 1080 N ILE A 66 -32.421 -7.591 -21.172 1.00 65.41 N ATOM 1081 CA ILE A 66 -32.656 -6.433 -20.319 1.00 60.22 C ATOM 1082 C ILE A 66 -33.161 -6.857 -18.944 1.00 73.04 C ATOM 1083 O ILE A 66 -32.726 -6.329 -17.921 1.00 62.14 O ATOM 1084 CB ILE A 66 -33.672 -5.465 -20.952 1.00 35.22 C ATOM 1085 CG1 ILE A 66 -32.949 -4.292 -21.614 1.00 24.01 C ATOM 1086 CG2 ILE A 66 -34.653 -4.965 -19.901 1.00 61.31 C ATOM 1087 CD1 ILE A 66 -32.474 -3.243 -20.633 1.00 52.31 C ATOM 0 H ILE A 66 -32.854 -7.531 -22.094 1.00 65.41 H new ATOM 0 HA ILE A 66 -31.700 -5.922 -20.210 1.00 60.22 H new ATOM 0 HB ILE A 66 -34.232 -6.000 -21.719 1.00 35.22 H new ATOM 0 HG12 ILE A 66 -32.092 -4.671 -22.171 1.00 24.01 H new ATOM 0 HG13 ILE A 66 -33.618 -3.825 -22.337 1.00 24.01 H new ATOM 0 HG21 ILE A 66 -35.365 -4.282 -20.364 1.00 61.31 H new ATOM 0 HG22 ILE A 66 -35.189 -5.811 -19.472 1.00 61.31 H new ATOM 0 HG23 ILE A 66 -34.108 -4.443 -19.114 1.00 61.31 H new ATOM 0 HD11 ILE A 66 -31.970 -2.441 -21.173 1.00 52.31 H new ATOM 0 HD12 ILE A 66 -33.329 -2.836 -20.093 1.00 52.31 H new ATOM 0 HD13 ILE A 66 -31.780 -3.695 -19.925 1.00 52.31 H new ATOM 1099 N ARG A 67 -34.083 -7.815 -18.928 1.00 75.11 N ATOM 1100 CA ARG A 67 -34.649 -8.310 -17.680 1.00 23.54 C ATOM 1101 C ARG A 67 -33.545 -8.718 -16.707 1.00 22.40 C ATOM 1102 O ARG A 67 -33.672 -8.538 -15.495 1.00 53.12 O ATOM 1103 CB ARG A 67 -35.571 -9.501 -17.949 1.00 24.20 C ATOM 1104 CG ARG A 67 -36.204 -10.076 -16.693 1.00 34.52 C ATOM 1105 CD ARG A 67 -35.404 -11.252 -16.153 1.00 51.32 C ATOM 1106 NE ARG A 67 -36.258 -12.243 -15.503 1.00 44.22 N ATOM 1107 CZ ARG A 67 -35.866 -13.481 -15.227 1.00 20.55 C ATOM 1108 NH1 ARG A 67 -34.641 -13.879 -15.541 1.00 2.42 N ATOM 1109 NH2 ARG A 67 -36.700 -14.326 -14.632 1.00 53.53 N ATOM 0 H ARG A 67 -34.453 -8.263 -19.766 1.00 75.11 H new ATOM 0 HA ARG A 67 -35.229 -7.505 -17.229 1.00 23.54 H new ATOM 0 HB2 ARG A 67 -36.360 -9.191 -18.634 1.00 24.20 H new ATOM 0 HB3 ARG A 67 -35.002 -10.284 -18.450 1.00 24.20 H new ATOM 0 HG2 ARG A 67 -36.272 -9.300 -15.931 1.00 34.52 H new ATOM 0 HG3 ARG A 67 -37.222 -10.397 -16.912 1.00 34.52 H new ATOM 0 HD2 ARG A 67 -34.858 -11.724 -16.970 1.00 51.32 H new ATOM 0 HD3 ARG A 67 -34.663 -10.890 -15.441 1.00 51.32 H new ATOM 0 HE ARG A 67 -37.207 -11.969 -15.247 1.00 44.22 H new ATOM 0 HH11 ARG A 67 -33.996 -13.233 -15.996 1.00 2.42 H new ATOM 0 HH12 ARG A 67 -34.344 -14.831 -15.327 1.00 2.42 H new ATOM 0 HH21 ARG A 67 -37.643 -14.024 -14.387 1.00 53.53 H new ATOM 0 HH22 ARG A 67 -36.398 -15.277 -14.420 1.00 53.53 H new ATOM 1123 N LYS A 68 -32.461 -9.268 -17.246 1.00 54.44 N ATOM 1124 CA LYS A 68 -31.335 -9.701 -16.428 1.00 43.30 C ATOM 1125 C LYS A 68 -30.477 -8.511 -16.011 1.00 5.11 C ATOM 1126 O LYS A 68 -29.858 -8.523 -14.947 1.00 24.15 O ATOM 1127 CB LYS A 68 -30.483 -10.714 -17.194 1.00 23.42 C ATOM 1128 CG LYS A 68 -29.511 -11.482 -16.313 1.00 41.22 C ATOM 1129 CD LYS A 68 -29.065 -12.777 -16.971 1.00 12.55 C ATOM 1130 CE LYS A 68 -27.990 -12.529 -18.016 1.00 51.31 C ATOM 1131 NZ LYS A 68 -26.735 -12.007 -17.408 1.00 63.13 N ATOM 0 H LYS A 68 -32.339 -9.424 -18.247 1.00 54.44 H new ATOM 0 HA LYS A 68 -31.731 -10.174 -15.529 1.00 43.30 H new ATOM 0 HB2 LYS A 68 -31.141 -11.422 -17.698 1.00 23.42 H new ATOM 0 HB3 LYS A 68 -29.923 -10.192 -17.970 1.00 23.42 H new ATOM 0 HG2 LYS A 68 -28.640 -10.861 -16.103 1.00 41.22 H new ATOM 0 HG3 LYS A 68 -29.983 -11.703 -15.356 1.00 41.22 H new ATOM 0 HD2 LYS A 68 -28.685 -13.460 -16.211 1.00 12.55 H new ATOM 0 HD3 LYS A 68 -29.922 -13.263 -17.437 1.00 12.55 H new ATOM 0 HE2 LYS A 68 -27.778 -13.458 -18.546 1.00 51.31 H new ATOM 0 HE3 LYS A 68 -28.359 -11.817 -18.755 1.00 51.31 H new ATOM 0 HZ1 LYS A 68 -25.947 -12.645 -17.637 1.00 63.13 H new ATOM 0 HZ2 LYS A 68 -26.534 -11.059 -17.786 1.00 63.13 H new ATOM 0 HZ3 LYS A 68 -26.846 -11.952 -16.375 1.00 63.13 H new ATOM 1145 N ARG A 69 -30.446 -7.484 -16.855 1.00 23.04 N ATOM 1146 CA ARG A 69 -29.663 -6.287 -16.573 1.00 15.12 C ATOM 1147 C ARG A 69 -30.147 -5.610 -15.294 1.00 32.25 C ATOM 1148 O ARG A 69 -29.355 -5.041 -14.544 1.00 2.25 O ATOM 1149 CB ARG A 69 -29.751 -5.307 -17.744 1.00 50.43 C ATOM 1150 CG ARG A 69 -28.491 -4.481 -17.942 1.00 50.42 C ATOM 1151 CD ARG A 69 -27.337 -5.335 -18.441 1.00 2.41 C ATOM 1152 NE ARG A 69 -27.312 -5.426 -19.898 1.00 52.44 N ATOM 1153 CZ ARG A 69 -26.850 -4.462 -20.688 1.00 1.25 C ATOM 1154 NH1 ARG A 69 -26.377 -3.341 -20.161 1.00 45.53 N ATOM 1155 NH2 ARG A 69 -26.861 -4.620 -22.005 1.00 13.52 N ATOM 0 H ARG A 69 -30.954 -7.457 -17.739 1.00 23.04 H new ATOM 0 HA ARG A 69 -28.624 -6.587 -16.435 1.00 15.12 H new ATOM 0 HB2 ARG A 69 -29.958 -5.864 -18.658 1.00 50.43 H new ATOM 0 HB3 ARG A 69 -30.594 -4.635 -17.582 1.00 50.43 H new ATOM 0 HG2 ARG A 69 -28.688 -3.681 -18.656 1.00 50.42 H new ATOM 0 HG3 ARG A 69 -28.214 -4.007 -17.000 1.00 50.42 H new ATOM 0 HD2 ARG A 69 -26.396 -4.914 -18.088 1.00 2.41 H new ATOM 0 HD3 ARG A 69 -27.417 -6.336 -18.017 1.00 2.41 H new ATOM 0 HE ARG A 69 -27.669 -6.276 -20.334 1.00 52.44 H new ATOM 0 HH11 ARG A 69 -26.367 -3.218 -19.149 1.00 45.53 H new ATOM 0 HH12 ARG A 69 -26.023 -2.602 -20.768 1.00 45.53 H new ATOM 0 HH21 ARG A 69 -27.224 -5.482 -22.412 1.00 13.52 H new ATOM 0 HH22 ARG A 69 -26.506 -3.880 -22.610 1.00 13.52 H new ATOM 1169 N ILE A 70 -31.452 -5.677 -15.052 1.00 11.41 N ATOM 1170 CA ILE A 70 -32.041 -5.072 -13.864 1.00 20.31 C ATOM 1171 C ILE A 70 -32.407 -6.132 -12.831 1.00 74.00 C ATOM 1172 O ILE A 70 -33.172 -5.870 -11.901 1.00 65.24 O ATOM 1173 CB ILE A 70 -33.299 -4.254 -14.213 1.00 5.35 C ATOM 1174 CG1 ILE A 70 -33.126 -3.566 -15.568 1.00 3.31 C ATOM 1175 CG2 ILE A 70 -33.582 -3.229 -13.124 1.00 50.21 C ATOM 1176 CD1 ILE A 70 -34.244 -2.604 -15.904 1.00 22.03 C ATOM 0 H ILE A 70 -32.122 -6.144 -15.663 1.00 11.41 H new ATOM 0 HA ILE A 70 -31.289 -4.404 -13.444 1.00 20.31 H new ATOM 0 HB ILE A 70 -34.150 -4.932 -14.277 1.00 5.35 H new ATOM 0 HG12 ILE A 70 -32.179 -3.026 -15.574 1.00 3.31 H new ATOM 0 HG13 ILE A 70 -33.065 -4.326 -16.347 1.00 3.31 H new ATOM 0 HG21 ILE A 70 -34.474 -2.658 -13.384 1.00 50.21 H new ATOM 0 HG22 ILE A 70 -33.743 -3.741 -12.175 1.00 50.21 H new ATOM 0 HG23 ILE A 70 -32.732 -2.552 -13.032 1.00 50.21 H new ATOM 0 HD11 ILE A 70 -34.055 -2.153 -16.878 1.00 22.03 H new ATOM 0 HD12 ILE A 70 -35.191 -3.142 -15.931 1.00 22.03 H new ATOM 0 HD13 ILE A 70 -34.292 -1.823 -15.146 1.00 22.03 H new ATOM 1188 N MET A 71 -31.858 -7.330 -13.000 1.00 22.04 N ATOM 1189 CA MET A 71 -32.125 -8.430 -12.080 1.00 42.20 C ATOM 1190 C MET A 71 -33.611 -8.510 -11.746 1.00 34.01 C ATOM 1191 O MET A 71 -33.989 -8.918 -10.647 1.00 74.04 O ATOM 1192 CB MET A 71 -31.311 -8.259 -10.796 1.00 44.00 C ATOM 1193 CG MET A 71 -31.777 -7.101 -9.930 1.00 2.31 C ATOM 1194 SD MET A 71 -31.091 -7.159 -8.263 1.00 72.14 S ATOM 1195 CE MET A 71 -32.389 -8.033 -7.393 1.00 70.13 C ATOM 0 H MET A 71 -31.226 -7.564 -13.765 1.00 22.04 H new ATOM 0 HA MET A 71 -31.829 -9.359 -12.568 1.00 42.20 H new ATOM 0 HB2 MET A 71 -31.365 -9.180 -10.216 1.00 44.00 H new ATOM 0 HB3 MET A 71 -30.264 -8.108 -11.057 1.00 44.00 H new ATOM 0 HG2 MET A 71 -31.492 -6.161 -10.403 1.00 2.31 H new ATOM 0 HG3 MET A 71 -32.865 -7.111 -9.871 1.00 2.31 H new ATOM 0 HE1 MET A 71 -32.111 -8.148 -6.345 1.00 70.13 H new ATOM 0 HE2 MET A 71 -33.318 -7.467 -7.462 1.00 70.13 H new ATOM 0 HE3 MET A 71 -32.529 -9.017 -7.841 1.00 70.13 H new ATOM 1205 N LEU A 72 -34.450 -8.118 -12.700 1.00 24.43 N ATOM 1206 CA LEU A 72 -35.895 -8.146 -12.506 1.00 40.10 C ATOM 1207 C LEU A 72 -36.421 -9.577 -12.533 1.00 42.23 C ATOM 1208 O LEU A 72 -36.023 -10.395 -13.363 1.00 53.31 O ATOM 1209 CB LEU A 72 -36.589 -7.315 -13.586 1.00 52.23 C ATOM 1210 CG LEU A 72 -37.862 -6.583 -13.156 1.00 64.42 C ATOM 1211 CD1 LEU A 72 -37.569 -5.638 -12.001 1.00 52.11 C ATOM 1212 CD2 LEU A 72 -38.463 -5.824 -14.330 1.00 24.42 C ATOM 0 H LEU A 72 -34.154 -7.777 -13.615 1.00 24.43 H new ATOM 0 HA LEU A 72 -36.114 -7.717 -11.528 1.00 40.10 H new ATOM 0 HB2 LEU A 72 -35.879 -6.578 -13.961 1.00 52.23 H new ATOM 0 HB3 LEU A 72 -36.836 -7.973 -14.419 1.00 52.23 H new ATOM 0 HG LEU A 72 -38.588 -7.323 -12.818 1.00 64.42 H new ATOM 0 HD11 LEU A 72 -38.486 -5.126 -11.708 1.00 52.11 H new ATOM 0 HD12 LEU A 72 -37.185 -6.207 -11.154 1.00 52.11 H new ATOM 0 HD13 LEU A 72 -36.826 -4.903 -12.312 1.00 52.11 H new ATOM 0 HD21 LEU A 72 -39.368 -5.309 -14.006 1.00 24.42 H new ATOM 0 HD22 LEU A 72 -37.742 -5.094 -14.698 1.00 24.42 H new ATOM 0 HD23 LEU A 72 -38.710 -6.524 -15.128 1.00 24.42 H new ATOM 1224 N PRO A 73 -37.337 -9.889 -11.605 1.00 10.13 N ATOM 1225 CA PRO A 73 -37.939 -11.221 -11.503 1.00 34.41 C ATOM 1226 C PRO A 73 -38.874 -11.525 -12.669 1.00 74.11 C ATOM 1227 O PRO A 73 -39.264 -10.641 -13.431 1.00 13.43 O ATOM 1228 CB PRO A 73 -38.725 -11.156 -10.190 1.00 52.14 C ATOM 1229 CG PRO A 73 -39.025 -9.709 -10.001 1.00 31.14 C ATOM 1230 CD PRO A 73 -37.857 -8.964 -10.583 1.00 42.15 C ATOM 0 HA PRO A 73 -37.188 -12.011 -11.527 1.00 34.41 H new ATOM 0 HB2 PRO A 73 -39.640 -11.746 -10.246 1.00 52.14 H new ATOM 0 HB3 PRO A 73 -38.141 -11.551 -9.359 1.00 52.14 H new ATOM 0 HG2 PRO A 73 -39.952 -9.434 -10.503 1.00 31.14 H new ATOM 0 HG3 PRO A 73 -39.152 -9.472 -8.945 1.00 31.14 H new ATOM 0 HD2 PRO A 73 -38.164 -8.014 -11.020 1.00 42.15 H new ATOM 0 HD3 PRO A 73 -37.106 -8.739 -9.826 1.00 42.15 H new ATOM 1238 N PRO A 74 -39.243 -12.807 -12.813 1.00 70.44 N ATOM 1239 CA PRO A 74 -40.137 -13.257 -13.885 1.00 11.33 C ATOM 1240 C PRO A 74 -41.567 -12.766 -13.690 1.00 41.41 C ATOM 1241 O PRO A 74 -42.271 -12.480 -14.658 1.00 73.45 O ATOM 1242 CB PRO A 74 -40.077 -14.783 -13.778 1.00 51.33 C ATOM 1243 CG PRO A 74 -39.710 -15.050 -12.359 1.00 65.13 C ATOM 1244 CD PRO A 74 -38.815 -13.915 -11.942 1.00 51.45 C ATOM 0 HA PRO A 74 -39.834 -12.871 -14.858 1.00 11.33 H new ATOM 0 HB2 PRO A 74 -41.036 -15.235 -14.031 1.00 51.33 H new ATOM 0 HB3 PRO A 74 -39.338 -15.199 -14.463 1.00 51.33 H new ATOM 0 HG2 PRO A 74 -40.598 -15.099 -11.729 1.00 65.13 H new ATOM 0 HG3 PRO A 74 -39.197 -16.007 -12.262 1.00 65.13 H new ATOM 0 HD2 PRO A 74 -38.942 -13.670 -10.888 1.00 51.45 H new ATOM 0 HD3 PRO A 74 -37.763 -14.158 -12.088 1.00 51.45 H new ATOM 1252 N GLU A 75 -41.989 -12.668 -12.434 1.00 74.02 N ATOM 1253 CA GLU A 75 -43.337 -12.211 -12.115 1.00 34.13 C ATOM 1254 C GLU A 75 -43.640 -10.886 -12.808 1.00 42.00 C ATOM 1255 O GLU A 75 -44.790 -10.594 -13.140 1.00 20.41 O ATOM 1256 CB GLU A 75 -43.502 -12.056 -10.602 1.00 22.14 C ATOM 1257 CG GLU A 75 -42.337 -11.347 -9.931 1.00 62.00 C ATOM 1258 CD GLU A 75 -42.722 -10.715 -8.608 1.00 5.40 C ATOM 1259 OE1 GLU A 75 -43.834 -10.996 -8.117 1.00 53.42 O ATOM 1260 OE2 GLU A 75 -41.909 -9.938 -8.064 1.00 15.14 O ATOM 0 H GLU A 75 -41.418 -12.899 -11.621 1.00 74.02 H new ATOM 0 HA GLU A 75 -44.042 -12.960 -12.476 1.00 34.13 H new ATOM 0 HB2 GLU A 75 -44.419 -11.502 -10.400 1.00 22.14 H new ATOM 0 HB3 GLU A 75 -43.621 -13.043 -10.155 1.00 22.14 H new ATOM 0 HG2 GLU A 75 -41.529 -12.060 -9.767 1.00 62.00 H new ATOM 0 HG3 GLU A 75 -41.952 -10.576 -10.599 1.00 62.00 H new ATOM 1267 N LYS A 76 -42.601 -10.087 -13.025 1.00 10.10 N ATOM 1268 CA LYS A 76 -42.754 -8.793 -13.679 1.00 42.32 C ATOM 1269 C LYS A 76 -42.060 -8.785 -15.038 1.00 21.33 C ATOM 1270 O LYS A 76 -41.559 -9.812 -15.495 1.00 51.21 O ATOM 1271 CB LYS A 76 -42.182 -7.682 -12.796 1.00 1.30 C ATOM 1272 CG LYS A 76 -42.821 -7.608 -11.421 1.00 35.40 C ATOM 1273 CD LYS A 76 -44.044 -6.706 -11.421 1.00 4.13 C ATOM 1274 CE LYS A 76 -44.537 -6.436 -10.008 1.00 10.23 C ATOM 1275 NZ LYS A 76 -45.904 -5.844 -10.000 1.00 44.35 N ATOM 0 H LYS A 76 -41.643 -10.313 -12.757 1.00 10.10 H new ATOM 0 HA LYS A 76 -43.818 -8.615 -13.833 1.00 42.32 H new ATOM 0 HB2 LYS A 76 -41.109 -7.837 -12.681 1.00 1.30 H new ATOM 0 HB3 LYS A 76 -42.313 -6.725 -13.300 1.00 1.30 H new ATOM 0 HG2 LYS A 76 -43.106 -8.609 -11.097 1.00 35.40 H new ATOM 0 HG3 LYS A 76 -42.093 -7.235 -10.700 1.00 35.40 H new ATOM 0 HD2 LYS A 76 -43.801 -5.762 -11.909 1.00 4.13 H new ATOM 0 HD3 LYS A 76 -44.840 -7.171 -12.003 1.00 4.13 H new ATOM 0 HE2 LYS A 76 -44.541 -7.367 -9.441 1.00 10.23 H new ATOM 0 HE3 LYS A 76 -43.846 -5.760 -9.505 1.00 10.23 H new ATOM 0 HZ1 LYS A 76 -46.203 -5.675 -9.018 1.00 44.35 H new ATOM 0 HZ2 LYS A 76 -45.895 -4.943 -10.519 1.00 44.35 H new ATOM 0 HZ3 LYS A 76 -46.569 -6.500 -10.457 1.00 44.35 H new ATOM 1289 N ALA A 77 -42.033 -7.620 -15.676 1.00 51.05 N ATOM 1290 CA ALA A 77 -41.398 -7.478 -16.981 1.00 22.31 C ATOM 1291 C ALA A 77 -41.331 -6.015 -17.402 1.00 65.33 C ATOM 1292 O ALA A 77 -42.070 -5.177 -16.888 1.00 13.43 O ATOM 1293 CB ALA A 77 -42.144 -8.297 -18.024 1.00 11.24 C ATOM 0 H ALA A 77 -42.443 -6.761 -15.311 1.00 51.05 H new ATOM 0 HA ALA A 77 -40.378 -7.853 -16.904 1.00 22.31 H new ATOM 0 HB1 ALA A 77 -41.659 -8.181 -18.993 1.00 11.24 H new ATOM 0 HB2 ALA A 77 -42.134 -9.348 -17.736 1.00 11.24 H new ATOM 0 HB3 ALA A 77 -43.175 -7.949 -18.091 1.00 11.24 H new ATOM 1299 N ILE A 78 -40.439 -5.715 -18.341 1.00 41.40 N ATOM 1300 CA ILE A 78 -40.276 -4.352 -18.832 1.00 54.45 C ATOM 1301 C ILE A 78 -40.080 -4.332 -20.344 1.00 12.10 C ATOM 1302 O ILE A 78 -39.773 -5.356 -20.954 1.00 53.55 O ATOM 1303 CB ILE A 78 -39.081 -3.651 -18.161 1.00 20.20 C ATOM 1304 CG1 ILE A 78 -37.843 -4.550 -18.206 1.00 71.13 C ATOM 1305 CG2 ILE A 78 -39.422 -3.281 -16.724 1.00 65.23 C ATOM 1306 CD1 ILE A 78 -36.606 -3.905 -17.621 1.00 60.11 C ATOM 0 H ILE A 78 -39.819 -6.397 -18.777 1.00 41.40 H new ATOM 0 HA ILE A 78 -41.190 -3.814 -18.580 1.00 54.45 H new ATOM 0 HB ILE A 78 -38.862 -2.735 -18.709 1.00 20.20 H new ATOM 0 HG12 ILE A 78 -38.053 -5.472 -17.663 1.00 71.13 H new ATOM 0 HG13 ILE A 78 -37.643 -4.828 -19.241 1.00 71.13 H new ATOM 0 HG21 ILE A 78 -38.567 -2.786 -16.263 1.00 65.23 H new ATOM 0 HG22 ILE A 78 -40.279 -2.608 -16.715 1.00 65.23 H new ATOM 0 HG23 ILE A 78 -39.664 -4.184 -16.163 1.00 65.23 H new ATOM 0 HD11 ILE A 78 -35.768 -4.599 -17.686 1.00 60.11 H new ATOM 0 HD12 ILE A 78 -36.370 -2.998 -18.178 1.00 60.11 H new ATOM 0 HD13 ILE A 78 -36.787 -3.652 -16.576 1.00 60.11 H new ATOM 1318 N PHE A 79 -40.255 -3.158 -20.943 1.00 75.31 N ATOM 1319 CA PHE A 79 -40.097 -3.004 -22.384 1.00 45.22 C ATOM 1320 C PHE A 79 -39.461 -1.658 -22.720 1.00 60.41 C ATOM 1321 O PHE A 79 -39.610 -0.687 -21.978 1.00 33.22 O ATOM 1322 CB PHE A 79 -41.452 -3.129 -23.084 1.00 20.41 C ATOM 1323 CG PHE A 79 -42.602 -2.630 -22.258 1.00 12.25 C ATOM 1324 CD1 PHE A 79 -43.252 -3.472 -21.370 1.00 70.30 C ATOM 1325 CD2 PHE A 79 -43.033 -1.317 -22.368 1.00 74.54 C ATOM 1326 CE1 PHE A 79 -44.311 -3.015 -20.608 1.00 12.34 C ATOM 1327 CE2 PHE A 79 -44.091 -0.855 -21.608 1.00 61.31 C ATOM 1328 CZ PHE A 79 -44.732 -1.705 -20.728 1.00 44.20 C ATOM 0 H PHE A 79 -40.506 -2.300 -20.452 1.00 75.31 H new ATOM 0 HA PHE A 79 -39.438 -3.797 -22.739 1.00 45.22 H new ATOM 0 HB2 PHE A 79 -41.420 -2.573 -24.021 1.00 20.41 H new ATOM 0 HB3 PHE A 79 -41.625 -4.175 -23.339 1.00 20.41 H new ATOM 0 HD1 PHE A 79 -42.927 -4.497 -21.272 1.00 70.30 H new ATOM 0 HD2 PHE A 79 -42.537 -0.648 -23.055 1.00 74.54 H new ATOM 0 HE1 PHE A 79 -44.809 -3.682 -19.919 1.00 12.34 H new ATOM 0 HE2 PHE A 79 -44.416 0.170 -21.702 1.00 61.31 H new ATOM 0 HZ PHE A 79 -45.560 -1.346 -20.135 1.00 44.20 H new ATOM 1338 N ILE A 80 -38.750 -1.611 -23.841 1.00 3.40 N ATOM 1339 CA ILE A 80 -38.091 -0.385 -24.276 1.00 1.45 C ATOM 1340 C ILE A 80 -38.914 0.333 -25.341 1.00 5.44 C ATOM 1341 O ILE A 80 -39.394 -0.284 -26.292 1.00 32.45 O ATOM 1342 CB ILE A 80 -36.684 -0.670 -24.835 1.00 50.32 C ATOM 1343 CG1 ILE A 80 -36.002 -1.770 -24.021 1.00 63.02 C ATOM 1344 CG2 ILE A 80 -35.846 0.599 -24.829 1.00 3.20 C ATOM 1345 CD1 ILE A 80 -35.890 -1.451 -22.546 1.00 44.14 C ATOM 0 H ILE A 80 -38.615 -2.407 -24.465 1.00 3.40 H new ATOM 0 HA ILE A 80 -38.001 0.254 -23.398 1.00 1.45 H new ATOM 0 HB ILE A 80 -36.780 -1.014 -25.865 1.00 50.32 H new ATOM 0 HG12 ILE A 80 -36.560 -2.699 -24.142 1.00 63.02 H new ATOM 0 HG13 ILE A 80 -35.004 -1.943 -24.424 1.00 63.02 H new ATOM 0 HG21 ILE A 80 -34.855 0.382 -25.227 1.00 3.20 H new ATOM 0 HG22 ILE A 80 -36.328 1.356 -25.448 1.00 3.20 H new ATOM 0 HG23 ILE A 80 -35.754 0.970 -23.808 1.00 3.20 H new ATOM 0 HD11 ILE A 80 -35.396 -2.276 -22.032 1.00 44.14 H new ATOM 0 HD12 ILE A 80 -35.307 -0.540 -22.414 1.00 44.14 H new ATOM 0 HD13 ILE A 80 -36.886 -1.308 -22.128 1.00 44.14 H new ATOM 1357 N PHE A 81 -39.070 1.643 -25.176 1.00 33.54 N ATOM 1358 CA PHE A 81 -39.834 2.446 -26.123 1.00 41.40 C ATOM 1359 C PHE A 81 -39.078 3.721 -26.487 1.00 12.50 C ATOM 1360 O PHE A 81 -38.394 4.311 -25.651 1.00 13.22 O ATOM 1361 CB PHE A 81 -41.202 2.800 -25.537 1.00 4.54 C ATOM 1362 CG PHE A 81 -41.140 3.846 -24.460 1.00 34.32 C ATOM 1363 CD1 PHE A 81 -41.207 5.192 -24.778 1.00 54.21 C ATOM 1364 CD2 PHE A 81 -41.015 3.481 -23.129 1.00 63.41 C ATOM 1365 CE1 PHE A 81 -41.151 6.156 -23.788 1.00 52.23 C ATOM 1366 CE2 PHE A 81 -40.959 4.441 -22.136 1.00 73.50 C ATOM 1367 CZ PHE A 81 -41.026 5.780 -22.467 1.00 35.44 C ATOM 0 H PHE A 81 -38.678 2.170 -24.396 1.00 33.54 H new ATOM 0 HA PHE A 81 -39.977 1.857 -27.029 1.00 41.40 H new ATOM 0 HB2 PHE A 81 -41.851 3.153 -26.338 1.00 4.54 H new ATOM 0 HB3 PHE A 81 -41.659 1.898 -25.130 1.00 4.54 H new ATOM 0 HD1 PHE A 81 -41.304 5.492 -25.811 1.00 54.21 H new ATOM 0 HD2 PHE A 81 -40.961 2.435 -22.865 1.00 63.41 H new ATOM 0 HE1 PHE A 81 -41.205 7.203 -24.049 1.00 52.23 H new ATOM 0 HE2 PHE A 81 -40.863 4.144 -21.102 1.00 73.50 H new ATOM 0 HZ PHE A 81 -40.981 6.532 -21.693 1.00 35.44 H new ATOM 1377 N VAL A 82 -39.208 4.140 -27.742 1.00 2.20 N ATOM 1378 CA VAL A 82 -38.538 5.345 -28.218 1.00 51.22 C ATOM 1379 C VAL A 82 -39.542 6.457 -28.497 1.00 40.21 C ATOM 1380 O VAL A 82 -40.488 6.277 -29.264 1.00 30.31 O ATOM 1381 CB VAL A 82 -37.728 5.068 -29.498 1.00 64.53 C ATOM 1382 CG1 VAL A 82 -38.626 4.502 -30.588 1.00 2.12 C ATOM 1383 CG2 VAL A 82 -37.033 6.334 -29.974 1.00 11.03 C ATOM 0 H VAL A 82 -39.771 3.663 -28.447 1.00 2.20 H new ATOM 0 HA VAL A 82 -37.858 5.662 -27.428 1.00 51.22 H new ATOM 0 HB VAL A 82 -36.964 4.326 -29.268 1.00 64.53 H new ATOM 0 HG11 VAL A 82 -38.035 4.313 -31.484 1.00 2.12 H new ATOM 0 HG12 VAL A 82 -39.072 3.569 -30.244 1.00 2.12 H new ATOM 0 HG13 VAL A 82 -39.415 5.218 -30.818 1.00 2.12 H new ATOM 0 HG21 VAL A 82 -36.465 6.119 -30.879 1.00 11.03 H new ATOM 0 HG22 VAL A 82 -37.778 7.100 -30.186 1.00 11.03 H new ATOM 0 HG23 VAL A 82 -36.356 6.691 -29.198 1.00 11.03 H new ATOM 1393 N ASN A 83 -39.330 7.609 -27.870 1.00 40.51 N ATOM 1394 CA ASN A 83 -40.217 8.753 -28.051 1.00 20.00 C ATOM 1395 C ASN A 83 -41.671 8.356 -27.818 1.00 54.03 C ATOM 1396 O ASN A 83 -42.542 8.641 -28.639 1.00 50.01 O ATOM 1397 CB ASN A 83 -40.053 9.334 -29.457 1.00 15.30 C ATOM 1398 CG ASN A 83 -38.709 10.008 -29.652 1.00 30.22 C ATOM 1399 OD1 ASN A 83 -38.184 10.647 -28.740 1.00 52.02 O ATOM 1400 ND2 ASN A 83 -38.145 9.868 -30.845 1.00 71.35 N ATOM 0 H ASN A 83 -38.552 7.776 -27.232 1.00 40.51 H new ATOM 0 HA ASN A 83 -39.945 9.512 -27.318 1.00 20.00 H new ATOM 0 HB2 ASN A 83 -40.166 8.537 -30.192 1.00 15.30 H new ATOM 0 HB3 ASN A 83 -40.848 10.055 -29.644 1.00 15.30 H new ATOM 0 HD21 ASN A 83 -37.240 10.299 -31.035 1.00 71.35 H new ATOM 0 HD22 ASN A 83 -38.616 9.329 -31.572 1.00 71.35 H new ATOM 1407 N ASP A 84 -41.926 7.697 -26.693 1.00 30.35 N ATOM 1408 CA ASP A 84 -43.275 7.262 -26.350 1.00 23.41 C ATOM 1409 C ASP A 84 -43.837 6.339 -27.427 1.00 11.41 C ATOM 1410 O ASP A 84 -45.053 6.192 -27.561 1.00 13.41 O ATOM 1411 CB ASP A 84 -44.192 8.471 -26.166 1.00 73.44 C ATOM 1412 CG ASP A 84 -45.432 8.140 -25.357 1.00 23.41 C ATOM 1413 OD1 ASP A 84 -45.575 6.970 -24.944 1.00 30.35 O ATOM 1414 OD2 ASP A 84 -46.257 9.050 -25.138 1.00 13.22 O ATOM 0 H ASP A 84 -41.216 7.452 -26.003 1.00 30.35 H new ATOM 0 HA ASP A 84 -43.226 6.709 -25.412 1.00 23.41 H new ATOM 0 HB2 ASP A 84 -43.640 9.269 -25.670 1.00 73.44 H new ATOM 0 HB3 ASP A 84 -44.490 8.849 -27.144 1.00 73.44 H new ATOM 1419 N THR A 85 -42.946 5.718 -28.193 1.00 2.41 N ATOM 1420 CA THR A 85 -43.353 4.812 -29.260 1.00 2.34 C ATOM 1421 C THR A 85 -42.773 3.419 -29.048 1.00 61.44 C ATOM 1422 O THR A 85 -41.569 3.261 -28.837 1.00 51.40 O ATOM 1423 CB THR A 85 -42.913 5.335 -30.640 1.00 52.41 C ATOM 1424 OG1 THR A 85 -42.701 6.750 -30.583 1.00 53.50 O ATOM 1425 CG2 THR A 85 -43.958 5.016 -31.698 1.00 72.22 C ATOM 0 H THR A 85 -41.937 5.826 -28.094 1.00 2.41 H new ATOM 0 HA THR A 85 -44.441 4.758 -29.231 1.00 2.34 H new ATOM 0 HB THR A 85 -41.981 4.839 -30.912 1.00 52.41 H new ATOM 0 HG1 THR A 85 -41.868 6.937 -30.102 1.00 53.50 H new ATOM 0 HG21 THR A 85 -43.625 5.395 -32.664 1.00 72.22 H new ATOM 0 HG22 THR A 85 -44.096 3.936 -31.760 1.00 72.22 H new ATOM 0 HG23 THR A 85 -44.903 5.487 -31.429 1.00 72.22 H new ATOM 1433 N LEU A 86 -43.634 2.409 -29.107 1.00 11.31 N ATOM 1434 CA LEU A 86 -43.206 1.027 -28.922 1.00 12.31 C ATOM 1435 C LEU A 86 -43.293 0.251 -30.233 1.00 34.42 C ATOM 1436 O LEU A 86 -44.372 -0.136 -30.683 1.00 34.52 O ATOM 1437 CB LEU A 86 -44.063 0.345 -27.854 1.00 12.30 C ATOM 1438 CG LEU A 86 -43.420 -0.839 -27.133 1.00 72.21 C ATOM 1439 CD1 LEU A 86 -42.397 -0.354 -26.118 1.00 23.51 C ATOM 1440 CD2 LEU A 86 -44.482 -1.692 -26.455 1.00 74.42 C ATOM 0 H LEU A 86 -44.633 2.521 -29.282 1.00 11.31 H new ATOM 0 HA LEU A 86 -42.167 1.035 -28.594 1.00 12.31 H new ATOM 0 HB2 LEU A 86 -44.341 1.091 -27.109 1.00 12.30 H new ATOM 0 HB3 LEU A 86 -44.986 0.002 -28.322 1.00 12.30 H new ATOM 0 HG LEU A 86 -42.906 -1.453 -27.872 1.00 72.21 H new ATOM 0 HD11 LEU A 86 -41.950 -1.211 -25.614 1.00 23.51 H new ATOM 0 HD12 LEU A 86 -41.619 0.214 -26.628 1.00 23.51 H new ATOM 0 HD13 LEU A 86 -42.888 0.283 -25.383 1.00 23.51 H new ATOM 0 HD21 LEU A 86 -44.005 -2.530 -25.947 1.00 74.42 H new ATOM 0 HD22 LEU A 86 -45.024 -1.088 -25.728 1.00 74.42 H new ATOM 0 HD23 LEU A 86 -45.178 -2.070 -27.204 1.00 74.42 H new ATOM 1452 N PRO A 87 -42.131 0.014 -30.859 1.00 71.03 N ATOM 1453 CA PRO A 87 -42.050 -0.720 -32.124 1.00 62.24 C ATOM 1454 C PRO A 87 -42.373 -2.201 -31.957 1.00 23.20 C ATOM 1455 O PRO A 87 -42.456 -2.721 -30.844 1.00 53.35 O ATOM 1456 CB PRO A 87 -40.591 -0.537 -32.548 1.00 45.32 C ATOM 1457 CG PRO A 87 -39.854 -0.296 -31.275 1.00 51.13 C ATOM 1458 CD PRO A 87 -40.807 0.446 -30.379 1.00 41.13 C ATOM 0 HA PRO A 87 -42.770 -0.352 -32.855 1.00 62.24 H new ATOM 0 HB2 PRO A 87 -40.214 -1.421 -33.062 1.00 45.32 H new ATOM 0 HB3 PRO A 87 -40.480 0.302 -33.235 1.00 45.32 H new ATOM 0 HG2 PRO A 87 -39.543 -1.236 -30.820 1.00 51.13 H new ATOM 0 HG3 PRO A 87 -38.950 0.287 -31.452 1.00 51.13 H new ATOM 0 HD2 PRO A 87 -40.656 0.189 -29.331 1.00 41.13 H new ATOM 0 HD3 PRO A 87 -40.681 1.525 -30.464 1.00 41.13 H new ATOM 1466 N PRO A 88 -42.560 -2.899 -33.088 1.00 1.22 N ATOM 1467 CA PRO A 88 -42.876 -4.330 -33.092 1.00 0.11 C ATOM 1468 C PRO A 88 -41.697 -5.185 -32.644 1.00 21.13 C ATOM 1469 O PRO A 88 -40.540 -4.785 -32.774 1.00 4.24 O ATOM 1470 CB PRO A 88 -43.216 -4.614 -34.558 1.00 14.12 C ATOM 1471 CG PRO A 88 -42.487 -3.565 -35.325 1.00 32.01 C ATOM 1472 CD PRO A 88 -42.476 -2.343 -34.449 1.00 33.00 C ATOM 0 HA PRO A 88 -43.682 -4.571 -32.399 1.00 0.11 H new ATOM 0 HB2 PRO A 88 -42.896 -5.614 -34.852 1.00 14.12 H new ATOM 0 HB3 PRO A 88 -44.290 -4.558 -34.733 1.00 14.12 H new ATOM 0 HG2 PRO A 88 -41.472 -3.887 -35.558 1.00 32.01 H new ATOM 0 HG3 PRO A 88 -42.983 -3.360 -36.274 1.00 32.01 H new ATOM 0 HD2 PRO A 88 -41.568 -1.757 -34.588 1.00 33.00 H new ATOM 0 HD3 PRO A 88 -43.317 -1.685 -34.667 1.00 33.00 H new ATOM 1480 N THR A 89 -41.996 -6.367 -32.114 1.00 72.43 N ATOM 1481 CA THR A 89 -40.961 -7.280 -31.646 1.00 70.24 C ATOM 1482 C THR A 89 -40.026 -7.681 -32.781 1.00 62.34 C ATOM 1483 O THR A 89 -38.934 -8.198 -32.546 1.00 71.04 O ATOM 1484 CB THR A 89 -41.570 -8.551 -31.025 1.00 73.14 C ATOM 1485 OG1 THR A 89 -42.986 -8.392 -30.874 1.00 64.22 O ATOM 1486 CG2 THR A 89 -40.941 -8.849 -29.672 1.00 42.32 C ATOM 0 H THR A 89 -42.948 -6.715 -31.998 1.00 72.43 H new ATOM 0 HA THR A 89 -40.394 -6.748 -30.882 1.00 70.24 H new ATOM 0 HB THR A 89 -41.367 -9.388 -31.693 1.00 73.14 H new ATOM 0 HG1 THR A 89 -43.366 -9.205 -30.480 1.00 64.22 H new ATOM 0 HG21 THR A 89 -41.388 -9.751 -29.254 1.00 42.32 H new ATOM 0 HG22 THR A 89 -39.868 -8.998 -29.794 1.00 42.32 H new ATOM 0 HG23 THR A 89 -41.116 -8.011 -28.997 1.00 42.32 H new ATOM 1494 N ALA A 90 -40.462 -7.438 -34.014 1.00 22.14 N ATOM 1495 CA ALA A 90 -39.662 -7.771 -35.186 1.00 63.42 C ATOM 1496 C ALA A 90 -38.827 -6.578 -35.638 1.00 23.50 C ATOM 1497 O ALA A 90 -38.127 -6.646 -36.649 1.00 21.34 O ATOM 1498 CB ALA A 90 -40.559 -8.250 -36.318 1.00 54.33 C ATOM 0 H ALA A 90 -41.364 -7.012 -34.226 1.00 22.14 H new ATOM 0 HA ALA A 90 -38.979 -8.576 -34.913 1.00 63.42 H new ATOM 0 HB1 ALA A 90 -39.949 -8.495 -37.187 1.00 54.33 H new ATOM 0 HB2 ALA A 90 -41.107 -9.136 -35.998 1.00 54.33 H new ATOM 0 HB3 ALA A 90 -41.265 -7.462 -36.581 1.00 54.33 H new ATOM 1504 N ALA A 91 -38.906 -5.487 -34.885 1.00 12.21 N ATOM 1505 CA ALA A 91 -38.157 -4.279 -35.208 1.00 25.52 C ATOM 1506 C ALA A 91 -36.661 -4.488 -34.993 1.00 55.33 C ATOM 1507 O ALA A 91 -36.234 -4.944 -33.932 1.00 41.00 O ATOM 1508 CB ALA A 91 -38.653 -3.110 -34.372 1.00 53.41 C ATOM 0 H ALA A 91 -39.482 -5.414 -34.046 1.00 12.21 H new ATOM 0 HA ALA A 91 -38.319 -4.052 -36.262 1.00 25.52 H new ATOM 0 HB1 ALA A 91 -38.084 -2.215 -34.624 1.00 53.41 H new ATOM 0 HB2 ALA A 91 -39.710 -2.938 -34.577 1.00 53.41 H new ATOM 0 HB3 ALA A 91 -38.521 -3.337 -33.314 1.00 53.41 H new ATOM 1514 N LEU A 92 -35.870 -4.152 -36.006 1.00 52.22 N ATOM 1515 CA LEU A 92 -34.422 -4.303 -35.928 1.00 64.00 C ATOM 1516 C LEU A 92 -33.784 -3.098 -35.240 1.00 74.44 C ATOM 1517 O LEU A 92 -34.071 -1.952 -35.584 1.00 61.11 O ATOM 1518 CB LEU A 92 -33.831 -4.475 -37.328 1.00 61.54 C ATOM 1519 CG LEU A 92 -32.767 -5.565 -37.479 1.00 14.32 C ATOM 1520 CD1 LEU A 92 -31.547 -5.239 -36.632 1.00 13.31 C ATOM 1521 CD2 LEU A 92 -33.337 -6.923 -37.096 1.00 53.11 C ATOM 0 H LEU A 92 -36.207 -3.773 -36.891 1.00 52.22 H new ATOM 0 HA LEU A 92 -34.206 -5.193 -35.337 1.00 64.00 H new ATOM 0 HB2 LEU A 92 -34.645 -4.691 -38.020 1.00 61.54 H new ATOM 0 HB3 LEU A 92 -33.395 -3.525 -37.636 1.00 61.54 H new ATOM 0 HG LEU A 92 -32.459 -5.604 -38.524 1.00 14.32 H new ATOM 0 HD11 LEU A 92 -30.801 -6.024 -36.751 1.00 13.31 H new ATOM 0 HD12 LEU A 92 -31.126 -4.286 -36.953 1.00 13.31 H new ATOM 0 HD13 LEU A 92 -31.839 -5.172 -35.584 1.00 13.31 H new ATOM 0 HD21 LEU A 92 -32.567 -7.686 -37.209 1.00 53.11 H new ATOM 0 HD22 LEU A 92 -33.673 -6.897 -36.059 1.00 53.11 H new ATOM 0 HD23 LEU A 92 -34.180 -7.160 -37.745 1.00 53.11 H new ATOM 1533 N MET A 93 -32.918 -3.369 -34.270 1.00 15.35 N ATOM 1534 CA MET A 93 -32.239 -2.307 -33.536 1.00 22.43 C ATOM 1535 C MET A 93 -31.452 -1.408 -34.485 1.00 35.51 C ATOM 1536 O MET A 93 -31.376 -0.196 -34.286 1.00 61.20 O ATOM 1537 CB MET A 93 -31.300 -2.904 -32.486 1.00 21.43 C ATOM 1538 CG MET A 93 -32.027 -3.516 -31.300 1.00 32.15 C ATOM 1539 SD MET A 93 -31.339 -2.992 -29.717 1.00 21.04 S ATOM 1540 CE MET A 93 -32.228 -1.460 -29.453 1.00 34.02 C ATOM 0 H MET A 93 -32.670 -4.313 -33.974 1.00 15.35 H new ATOM 0 HA MET A 93 -32.996 -1.704 -33.036 1.00 22.43 H new ATOM 0 HB2 MET A 93 -30.681 -3.668 -32.956 1.00 21.43 H new ATOM 0 HB3 MET A 93 -30.627 -2.125 -32.127 1.00 21.43 H new ATOM 0 HG2 MET A 93 -33.081 -3.240 -31.343 1.00 32.15 H new ATOM 0 HG3 MET A 93 -31.979 -4.603 -31.371 1.00 32.15 H new ATOM 0 HE1 MET A 93 -31.912 -1.014 -28.510 1.00 34.02 H new ATOM 0 HE2 MET A 93 -32.016 -0.771 -30.270 1.00 34.02 H new ATOM 0 HE3 MET A 93 -33.299 -1.662 -29.418 1.00 34.02 H new ATOM 1550 N SER A 94 -30.870 -2.011 -35.516 1.00 45.23 N ATOM 1551 CA SER A 94 -30.086 -1.264 -36.494 1.00 22.22 C ATOM 1552 C SER A 94 -30.947 -0.222 -37.200 1.00 52.31 C ATOM 1553 O SER A 94 -30.527 0.918 -37.393 1.00 40.41 O ATOM 1554 CB SER A 94 -29.474 -2.217 -37.523 1.00 1.22 C ATOM 1555 OG SER A 94 -28.844 -1.500 -38.570 1.00 53.25 O ATOM 0 H SER A 94 -30.926 -3.013 -35.696 1.00 45.23 H new ATOM 0 HA SER A 94 -29.285 -0.749 -35.963 1.00 22.22 H new ATOM 0 HB2 SER A 94 -28.748 -2.867 -37.035 1.00 1.22 H new ATOM 0 HB3 SER A 94 -30.251 -2.860 -37.935 1.00 1.22 H new ATOM 0 HG SER A 94 -28.460 -2.131 -39.214 1.00 53.25 H new ATOM 1561 N ALA A 95 -32.156 -0.622 -37.581 1.00 43.44 N ATOM 1562 CA ALA A 95 -33.079 0.277 -38.264 1.00 21.34 C ATOM 1563 C ALA A 95 -33.547 1.392 -37.335 1.00 1.14 C ATOM 1564 O ALA A 95 -33.507 2.569 -37.694 1.00 40.30 O ATOM 1565 CB ALA A 95 -34.271 -0.500 -38.802 1.00 33.00 C ATOM 0 H ALA A 95 -32.519 -1.563 -37.428 1.00 43.44 H new ATOM 0 HA ALA A 95 -32.550 0.735 -39.100 1.00 21.34 H new ATOM 0 HB1 ALA A 95 -34.952 0.183 -39.309 1.00 33.00 H new ATOM 0 HB2 ALA A 95 -33.924 -1.256 -39.506 1.00 33.00 H new ATOM 0 HB3 ALA A 95 -34.792 -0.985 -37.976 1.00 33.00 H new ATOM 1571 N ILE A 96 -33.988 1.014 -36.140 1.00 75.22 N ATOM 1572 CA ILE A 96 -34.464 1.983 -35.161 1.00 61.30 C ATOM 1573 C ILE A 96 -33.342 2.919 -34.726 1.00 11.54 C ATOM 1574 O ILE A 96 -33.574 4.097 -34.452 1.00 24.04 O ATOM 1575 CB ILE A 96 -35.047 1.285 -33.917 1.00 4.32 C ATOM 1576 CG1 ILE A 96 -36.159 0.317 -34.323 1.00 74.20 C ATOM 1577 CG2 ILE A 96 -35.570 2.317 -32.929 1.00 20.22 C ATOM 1578 CD1 ILE A 96 -37.069 -0.072 -33.179 1.00 1.24 C ATOM 0 H ILE A 96 -34.026 0.044 -35.827 1.00 75.22 H new ATOM 0 HA ILE A 96 -35.251 2.562 -35.645 1.00 61.30 H new ATOM 0 HB ILE A 96 -34.254 0.715 -33.432 1.00 4.32 H new ATOM 0 HG12 ILE A 96 -36.756 0.773 -35.113 1.00 74.20 H new ATOM 0 HG13 ILE A 96 -35.710 -0.584 -34.742 1.00 74.20 H new ATOM 0 HG21 ILE A 96 -35.979 1.810 -32.055 1.00 20.22 H new ATOM 0 HG22 ILE A 96 -34.755 2.971 -32.620 1.00 20.22 H new ATOM 0 HG23 ILE A 96 -36.352 2.911 -33.403 1.00 20.22 H new ATOM 0 HD11 ILE A 96 -37.834 -0.760 -33.540 1.00 1.24 H new ATOM 0 HD12 ILE A 96 -36.484 -0.557 -32.398 1.00 1.24 H new ATOM 0 HD13 ILE A 96 -37.546 0.820 -32.774 1.00 1.24 H new ATOM 1590 N TYR A 97 -32.126 2.389 -34.666 1.00 0.23 N ATOM 1591 CA TYR A 97 -30.967 3.177 -34.264 1.00 32.14 C ATOM 1592 C TYR A 97 -30.704 4.306 -35.256 1.00 14.43 C ATOM 1593 O TYR A 97 -30.471 5.449 -34.865 1.00 34.33 O ATOM 1594 CB TYR A 97 -29.730 2.284 -34.151 1.00 53.41 C ATOM 1595 CG TYR A 97 -28.429 3.054 -34.102 1.00 15.35 C ATOM 1596 CD1 TYR A 97 -27.827 3.514 -35.266 1.00 55.33 C ATOM 1597 CD2 TYR A 97 -27.803 3.321 -32.891 1.00 34.42 C ATOM 1598 CE1 TYR A 97 -26.639 4.218 -35.226 1.00 71.01 C ATOM 1599 CE2 TYR A 97 -26.616 4.025 -32.841 1.00 65.42 C ATOM 1600 CZ TYR A 97 -26.038 4.471 -34.011 1.00 24.22 C ATOM 1601 OH TYR A 97 -24.853 5.171 -33.966 1.00 33.21 O ATOM 0 H TYR A 97 -31.917 1.416 -34.891 1.00 0.23 H new ATOM 0 HA TYR A 97 -31.180 3.616 -33.289 1.00 32.14 H new ATOM 0 HB2 TYR A 97 -29.815 1.673 -33.253 1.00 53.41 H new ATOM 0 HB3 TYR A 97 -29.706 1.601 -35.000 1.00 53.41 H new ATOM 0 HD1 TYR A 97 -28.296 3.318 -36.219 1.00 55.33 H new ATOM 0 HD2 TYR A 97 -28.252 2.972 -31.973 1.00 34.42 H new ATOM 0 HE1 TYR A 97 -26.184 4.568 -36.141 1.00 71.01 H new ATOM 0 HE2 TYR A 97 -26.143 4.225 -31.891 1.00 65.42 H new ATOM 0 HH TYR A 97 -25.042 6.130 -33.898 1.00 33.21 H new ATOM 1611 N GLN A 98 -30.746 3.975 -36.543 1.00 31.32 N ATOM 1612 CA GLN A 98 -30.513 4.960 -37.591 1.00 43.34 C ATOM 1613 C GLN A 98 -31.683 5.932 -37.696 1.00 51.22 C ATOM 1614 O GLN A 98 -31.492 7.124 -37.931 1.00 14.22 O ATOM 1615 CB GLN A 98 -30.292 4.262 -38.935 1.00 53.55 C ATOM 1616 CG GLN A 98 -29.978 5.220 -40.074 1.00 23.31 C ATOM 1617 CD GLN A 98 -28.698 5.999 -39.845 1.00 12.12 C ATOM 1618 OE1 GLN A 98 -28.620 6.837 -38.945 1.00 51.15 O ATOM 1619 NE2 GLN A 98 -27.685 5.726 -40.659 1.00 23.02 N ATOM 0 H GLN A 98 -30.939 3.033 -36.884 1.00 31.32 H new ATOM 0 HA GLN A 98 -29.618 5.525 -37.331 1.00 43.34 H new ATOM 0 HB2 GLN A 98 -29.473 3.549 -38.835 1.00 53.55 H new ATOM 0 HB3 GLN A 98 -31.184 3.689 -39.189 1.00 53.55 H new ATOM 0 HG2 GLN A 98 -29.895 4.658 -41.004 1.00 23.31 H new ATOM 0 HG3 GLN A 98 -30.807 5.918 -40.196 1.00 23.31 H new ATOM 0 HE21 GLN A 98 -27.794 5.024 -41.391 1.00 23.02 H new ATOM 0 HE22 GLN A 98 -26.798 6.218 -40.552 1.00 23.02 H new ATOM 1628 N GLU A 99 -32.895 5.413 -37.521 1.00 63.21 N ATOM 1629 CA GLU A 99 -34.095 6.235 -37.597 1.00 12.52 C ATOM 1630 C GLU A 99 -34.115 7.275 -36.479 1.00 70.25 C ATOM 1631 O GLU A 99 -34.271 8.471 -36.731 1.00 23.44 O ATOM 1632 CB GLU A 99 -35.347 5.359 -37.513 1.00 42.52 C ATOM 1633 CG GLU A 99 -36.645 6.150 -37.512 1.00 21.01 C ATOM 1634 CD GLU A 99 -37.786 5.399 -38.169 1.00 72.40 C ATOM 1635 OE1 GLU A 99 -37.608 4.202 -38.480 1.00 41.30 O ATOM 1636 OE2 GLU A 99 -38.858 6.007 -38.373 1.00 14.20 O ATOM 0 H GLU A 99 -33.070 4.427 -37.326 1.00 63.21 H new ATOM 0 HA GLU A 99 -34.087 6.755 -38.555 1.00 12.52 H new ATOM 0 HB2 GLU A 99 -35.353 4.668 -38.356 1.00 42.52 H new ATOM 0 HB3 GLU A 99 -35.298 4.756 -36.606 1.00 42.52 H new ATOM 0 HG2 GLU A 99 -36.918 6.392 -36.485 1.00 21.01 H new ATOM 0 HG3 GLU A 99 -36.490 7.096 -38.032 1.00 21.01 H new ATOM 1643 N HIS A 100 -33.956 6.811 -35.244 1.00 25.42 N ATOM 1644 CA HIS A 100 -33.954 7.699 -34.088 1.00 34.14 C ATOM 1645 C HIS A 100 -32.532 8.114 -33.723 1.00 23.42 C ATOM 1646 O HIS A 100 -32.269 8.552 -32.603 1.00 2.42 O ATOM 1647 CB HIS A 100 -34.621 7.016 -32.893 1.00 10.22 C ATOM 1648 CG HIS A 100 -36.103 6.865 -33.040 1.00 12.34 C ATOM 1649 ND1 HIS A 100 -36.877 5.758 -33.118 1.00 32.44 N flip ATOM 1650 CD2 HIS A 100 -36.964 7.940 -33.127 1.00 20.44 C flip ATOM 1651 CE1 HIS A 100 -38.178 6.178 -33.247 1.00 51.45 C flip ATOM 1652 NE2 HIS A 100 -38.203 7.498 -33.248 1.00 22.04 N flip ATOM 0 H HIS A 100 -33.827 5.825 -35.018 1.00 25.42 H new ATOM 0 HA HIS A 100 -34.519 8.594 -34.348 1.00 34.14 H new ATOM 0 HB2 HIS A 100 -34.176 6.031 -32.753 1.00 10.22 H new ATOM 0 HB3 HIS A 100 -34.410 7.592 -31.992 1.00 10.22 H new ATOM 0 HD2 HIS A 100 -36.671 8.979 -33.100 1.00 20.44 H new ATOM 0 HE1 HIS A 100 -39.040 5.534 -33.334 1.00 51.45 H new ATOM 0 HE2 HIS A 100 -39.038 8.078 -33.329 1.00 22.04 H new ATOM 1660 N LYS A 101 -31.617 7.972 -34.675 1.00 42.44 N ATOM 1661 CA LYS A 101 -30.221 8.333 -34.457 1.00 31.44 C ATOM 1662 C LYS A 101 -30.088 9.814 -34.117 1.00 31.13 C ATOM 1663 O LYS A 101 -30.332 10.678 -34.959 1.00 14.45 O ATOM 1664 CB LYS A 101 -29.387 8.007 -35.698 1.00 72.24 C ATOM 1665 CG LYS A 101 -28.110 8.822 -35.805 1.00 35.44 C ATOM 1666 CD LYS A 101 -26.961 7.988 -36.345 1.00 40.42 C ATOM 1667 CE LYS A 101 -26.003 8.832 -37.173 1.00 43.12 C ATOM 1668 NZ LYS A 101 -26.672 9.422 -38.365 1.00 65.22 N ATOM 0 H LYS A 101 -31.817 7.609 -35.607 1.00 42.44 H new ATOM 0 HA LYS A 101 -29.850 7.750 -33.614 1.00 31.44 H new ATOM 0 HB2 LYS A 101 -29.132 6.947 -35.686 1.00 72.24 H new ATOM 0 HB3 LYS A 101 -29.993 8.178 -36.588 1.00 72.24 H new ATOM 0 HG2 LYS A 101 -28.277 9.679 -36.458 1.00 35.44 H new ATOM 0 HG3 LYS A 101 -27.845 9.216 -34.824 1.00 35.44 H new ATOM 0 HD2 LYS A 101 -26.421 7.530 -35.516 1.00 40.42 H new ATOM 0 HD3 LYS A 101 -27.355 7.176 -36.957 1.00 40.42 H new ATOM 0 HE2 LYS A 101 -25.594 9.630 -36.554 1.00 43.12 H new ATOM 0 HE3 LYS A 101 -25.163 8.217 -37.495 1.00 43.12 H new ATOM 0 HZ1 LYS A 101 -25.971 9.568 -39.120 1.00 65.22 H new ATOM 0 HZ2 LYS A 101 -27.414 8.776 -38.702 1.00 65.22 H new ATOM 0 HZ3 LYS A 101 -27.098 10.335 -38.107 1.00 65.22 H new ATOM 1682 N ASP A 102 -29.698 10.099 -32.878 1.00 54.14 N ATOM 1683 CA ASP A 102 -29.530 11.476 -32.428 1.00 74.14 C ATOM 1684 C ASP A 102 -28.388 12.156 -33.175 1.00 43.42 C ATOM 1685 O ASP A 102 -27.610 11.503 -33.871 1.00 21.31 O ATOM 1686 CB ASP A 102 -29.266 11.514 -30.922 1.00 73.22 C ATOM 1687 CG ASP A 102 -27.877 11.024 -30.566 1.00 2.30 C ATOM 1688 OD1 ASP A 102 -27.286 10.278 -31.373 1.00 65.24 O ATOM 1689 OD2 ASP A 102 -27.379 11.388 -29.479 1.00 54.34 O ATOM 0 H ASP A 102 -29.493 9.395 -32.169 1.00 54.14 H new ATOM 0 HA ASP A 102 -30.452 12.017 -32.641 1.00 74.14 H new ATOM 0 HB2 ASP A 102 -29.392 12.534 -30.559 1.00 73.22 H new ATOM 0 HB3 ASP A 102 -30.007 10.900 -30.410 1.00 73.22 H new ATOM 1694 N LYS A 103 -28.292 13.473 -33.027 1.00 54.43 N ATOM 1695 CA LYS A 103 -27.245 14.244 -33.687 1.00 51.11 C ATOM 1696 C LYS A 103 -25.863 13.777 -33.241 1.00 54.01 C ATOM 1697 O LYS A 103 -24.857 14.089 -33.879 1.00 22.43 O ATOM 1698 CB LYS A 103 -27.414 15.735 -33.386 1.00 31.33 C ATOM 1699 CG LYS A 103 -27.759 16.026 -31.935 1.00 4.20 C ATOM 1700 CD LYS A 103 -27.653 17.510 -31.624 1.00 44.54 C ATOM 1701 CE LYS A 103 -28.013 17.803 -30.176 1.00 45.13 C ATOM 1702 NZ LYS A 103 -27.878 19.251 -29.853 1.00 34.03 N ATOM 0 H LYS A 103 -28.927 14.029 -32.455 1.00 54.43 H new ATOM 0 HA LYS A 103 -27.333 14.085 -34.762 1.00 51.11 H new ATOM 0 HB2 LYS A 103 -26.492 16.256 -33.643 1.00 31.33 H new ATOM 0 HB3 LYS A 103 -28.198 16.140 -34.026 1.00 31.33 H new ATOM 0 HG2 LYS A 103 -28.771 15.680 -31.724 1.00 4.20 H new ATOM 0 HG3 LYS A 103 -27.089 15.467 -31.282 1.00 4.20 H new ATOM 0 HD2 LYS A 103 -26.638 17.853 -31.824 1.00 44.54 H new ATOM 0 HD3 LYS A 103 -28.315 18.070 -32.285 1.00 44.54 H new ATOM 0 HE2 LYS A 103 -29.037 17.482 -29.984 1.00 45.13 H new ATOM 0 HE3 LYS A 103 -27.368 17.222 -29.517 1.00 45.13 H new ATOM 0 HZ1 LYS A 103 -28.132 19.410 -28.857 1.00 34.03 H new ATOM 0 HZ2 LYS A 103 -26.895 19.552 -30.012 1.00 34.03 H new ATOM 0 HZ3 LYS A 103 -28.512 19.804 -30.464 1.00 34.03 H new ATOM 1716 N ASP A 104 -25.822 13.029 -32.145 1.00 33.30 N ATOM 1717 CA ASP A 104 -24.564 12.516 -31.615 1.00 40.22 C ATOM 1718 C ASP A 104 -24.276 11.118 -32.153 1.00 11.30 C ATOM 1719 O ASP A 104 -23.269 10.503 -31.807 1.00 41.40 O ATOM 1720 CB ASP A 104 -24.603 12.490 -30.087 1.00 4.43 C ATOM 1721 CG ASP A 104 -23.237 12.721 -29.469 1.00 2.24 C ATOM 1722 OD1 ASP A 104 -22.236 12.693 -30.215 1.00 51.04 O ATOM 1723 OD2 ASP A 104 -23.169 12.929 -28.239 1.00 55.11 O ATOM 0 H ASP A 104 -26.646 12.764 -31.605 1.00 33.30 H new ATOM 0 HA ASP A 104 -23.764 13.181 -31.939 1.00 40.22 H new ATOM 0 HB2 ASP A 104 -25.294 13.254 -29.731 1.00 4.43 H new ATOM 0 HB3 ASP A 104 -24.992 11.528 -29.753 1.00 4.43 H new ATOM 1728 N GLY A 105 -25.171 10.621 -33.002 1.00 70.25 N ATOM 1729 CA GLY A 105 -24.997 9.299 -33.573 1.00 64.42 C ATOM 1730 C GLY A 105 -25.637 8.213 -32.731 1.00 2.04 C ATOM 1731 O GLY A 105 -26.258 7.292 -33.260 1.00 53.01 O ATOM 0 H GLY A 105 -26.013 11.111 -33.304 1.00 70.25 H new ATOM 0 HA2 GLY A 105 -25.428 9.280 -34.574 1.00 64.42 H new ATOM 0 HA3 GLY A 105 -23.933 9.091 -33.681 1.00 64.42 H new ATOM 1735 N PHE A 106 -25.485 8.321 -31.415 1.00 2.01 N ATOM 1736 CA PHE A 106 -26.052 7.339 -30.497 1.00 3.53 C ATOM 1737 C PHE A 106 -27.559 7.212 -30.700 1.00 41.31 C ATOM 1738 O PHE A 106 -28.133 7.843 -31.588 1.00 63.14 O ATOM 1739 CB PHE A 106 -25.752 7.732 -29.049 1.00 21.25 C ATOM 1740 CG PHE A 106 -24.310 8.076 -28.807 1.00 71.13 C ATOM 1741 CD1 PHE A 106 -23.302 7.216 -29.212 1.00 42.11 C ATOM 1742 CD2 PHE A 106 -23.963 9.259 -28.176 1.00 5.33 C ATOM 1743 CE1 PHE A 106 -21.974 7.530 -28.990 1.00 41.11 C ATOM 1744 CE2 PHE A 106 -22.636 9.579 -27.952 1.00 34.34 C ATOM 1745 CZ PHE A 106 -21.641 8.713 -28.360 1.00 43.23 C ATOM 0 H PHE A 106 -24.974 9.078 -30.960 1.00 2.01 H new ATOM 0 HA PHE A 106 -25.592 6.373 -30.707 1.00 3.53 H new ATOM 0 HB2 PHE A 106 -26.372 8.587 -28.777 1.00 21.25 H new ATOM 0 HB3 PHE A 106 -26.036 6.910 -28.392 1.00 21.25 H new ATOM 0 HD1 PHE A 106 -23.556 6.290 -29.707 1.00 42.11 H new ATOM 0 HD2 PHE A 106 -24.738 9.940 -27.855 1.00 5.33 H new ATOM 0 HE1 PHE A 106 -21.197 6.851 -29.309 1.00 41.11 H new ATOM 0 HE2 PHE A 106 -22.379 10.505 -27.459 1.00 34.34 H new ATOM 0 HZ PHE A 106 -20.604 8.960 -28.187 1.00 43.23 H new ATOM 1755 N LEU A 107 -28.193 6.391 -29.870 1.00 43.43 N ATOM 1756 CA LEU A 107 -29.634 6.178 -29.958 1.00 2.41 C ATOM 1757 C LEU A 107 -30.312 6.493 -28.628 1.00 44.33 C ATOM 1758 O LEU A 107 -29.769 6.208 -27.560 1.00 53.43 O ATOM 1759 CB LEU A 107 -29.933 4.735 -30.367 1.00 44.43 C ATOM 1760 CG LEU A 107 -31.372 4.443 -30.795 1.00 41.22 C ATOM 1761 CD1 LEU A 107 -32.278 4.330 -29.578 1.00 43.30 C ATOM 1762 CD2 LEU A 107 -31.876 5.524 -31.740 1.00 73.12 C ATOM 0 H LEU A 107 -27.733 5.862 -29.129 1.00 43.43 H new ATOM 0 HA LEU A 107 -30.031 6.853 -30.717 1.00 2.41 H new ATOM 0 HB2 LEU A 107 -29.269 4.466 -31.189 1.00 44.43 H new ATOM 0 HB3 LEU A 107 -29.684 4.082 -29.530 1.00 44.43 H new ATOM 0 HG LEU A 107 -31.388 3.490 -31.324 1.00 41.22 H new ATOM 0 HD11 LEU A 107 -33.298 4.122 -29.902 1.00 43.30 H new ATOM 0 HD12 LEU A 107 -31.928 3.520 -28.938 1.00 43.30 H new ATOM 0 HD13 LEU A 107 -32.258 5.267 -29.021 1.00 43.30 H new ATOM 0 HD21 LEU A 107 -32.901 5.301 -32.035 1.00 73.12 H new ATOM 0 HD22 LEU A 107 -31.845 6.490 -31.237 1.00 73.12 H new ATOM 0 HD23 LEU A 107 -31.243 5.556 -32.627 1.00 73.12 H new ATOM 1774 N TYR A 108 -31.501 7.080 -28.701 1.00 74.34 N ATOM 1775 CA TYR A 108 -32.255 7.433 -27.503 1.00 25.01 C ATOM 1776 C TYR A 108 -33.396 6.449 -27.267 1.00 30.22 C ATOM 1777 O TYR A 108 -34.333 6.365 -28.061 1.00 43.01 O ATOM 1778 CB TYR A 108 -32.808 8.854 -27.624 1.00 30.14 C ATOM 1779 CG TYR A 108 -31.797 9.928 -27.288 1.00 41.03 C ATOM 1780 CD1 TYR A 108 -31.287 10.053 -26.003 1.00 22.12 C ATOM 1781 CD2 TYR A 108 -31.352 10.817 -28.260 1.00 14.11 C ATOM 1782 CE1 TYR A 108 -30.364 11.033 -25.692 1.00 62.23 C ATOM 1783 CE2 TYR A 108 -30.428 11.799 -27.959 1.00 12.21 C ATOM 1784 CZ TYR A 108 -29.938 11.903 -26.674 1.00 12.14 C ATOM 1785 OH TYR A 108 -29.017 12.880 -26.368 1.00 53.35 O ATOM 0 H TYR A 108 -31.964 7.322 -29.577 1.00 74.34 H new ATOM 0 HA TYR A 108 -31.577 7.385 -26.651 1.00 25.01 H new ATOM 0 HB2 TYR A 108 -33.167 9.010 -28.641 1.00 30.14 H new ATOM 0 HB3 TYR A 108 -33.669 8.957 -26.963 1.00 30.14 H new ATOM 0 HD1 TYR A 108 -31.618 9.372 -25.233 1.00 22.12 H new ATOM 0 HD2 TYR A 108 -31.735 10.739 -29.267 1.00 14.11 H new ATOM 0 HE1 TYR A 108 -29.979 11.117 -24.687 1.00 62.23 H new ATOM 0 HE2 TYR A 108 -30.091 12.481 -28.726 1.00 12.21 H new ATOM 0 HH TYR A 108 -28.822 13.408 -27.170 1.00 53.35 H new ATOM 1795 N VAL A 109 -33.309 5.705 -26.168 1.00 54.53 N ATOM 1796 CA VAL A 109 -34.335 4.727 -25.825 1.00 11.43 C ATOM 1797 C VAL A 109 -34.703 4.812 -24.347 1.00 44.40 C ATOM 1798 O VAL A 109 -33.864 5.132 -23.504 1.00 64.22 O ATOM 1799 CB VAL A 109 -33.874 3.293 -26.147 1.00 1.53 C ATOM 1800 CG1 VAL A 109 -34.284 2.905 -27.559 1.00 54.14 C ATOM 1801 CG2 VAL A 109 -32.370 3.165 -25.965 1.00 22.12 C ATOM 0 H VAL A 109 -32.539 5.761 -25.501 1.00 54.53 H new ATOM 0 HA VAL A 109 -35.211 4.963 -26.429 1.00 11.43 H new ATOM 0 HB VAL A 109 -34.361 2.608 -25.453 1.00 1.53 H new ATOM 0 HG11 VAL A 109 -33.950 1.889 -27.769 1.00 54.14 H new ATOM 0 HG12 VAL A 109 -35.369 2.956 -27.650 1.00 54.14 H new ATOM 0 HG13 VAL A 109 -33.827 3.591 -28.272 1.00 54.14 H new ATOM 0 HG21 VAL A 109 -32.061 2.146 -26.197 1.00 22.12 H new ATOM 0 HG22 VAL A 109 -31.862 3.859 -26.635 1.00 22.12 H new ATOM 0 HG23 VAL A 109 -32.107 3.398 -24.933 1.00 22.12 H new ATOM 1811 N THR A 110 -35.962 4.522 -24.039 1.00 14.42 N ATOM 1812 CA THR A 110 -36.442 4.566 -22.663 1.00 44.44 C ATOM 1813 C THR A 110 -36.944 3.199 -22.213 1.00 31.15 C ATOM 1814 O THR A 110 -37.681 2.529 -22.934 1.00 74.24 O ATOM 1815 CB THR A 110 -37.574 5.597 -22.495 1.00 71.41 C ATOM 1816 OG1 THR A 110 -37.415 6.659 -23.441 1.00 45.33 O ATOM 1817 CG2 THR A 110 -37.583 6.166 -21.084 1.00 62.11 C ATOM 0 H THR A 110 -36.669 4.254 -24.724 1.00 14.42 H new ATOM 0 HA THR A 110 -35.596 4.862 -22.042 1.00 44.44 H new ATOM 0 HB THR A 110 -38.523 5.092 -22.673 1.00 71.41 H new ATOM 0 HG1 THR A 110 -38.140 7.309 -23.328 1.00 45.33 H new ATOM 0 HG21 THR A 110 -38.391 6.892 -20.989 1.00 62.11 H new ATOM 0 HG22 THR A 110 -37.734 5.359 -20.367 1.00 62.11 H new ATOM 0 HG23 THR A 110 -36.630 6.656 -20.883 1.00 62.11 H new ATOM 1825 N TYR A 111 -36.540 2.791 -21.014 1.00 4.50 N ATOM 1826 CA TYR A 111 -36.947 1.503 -20.468 1.00 45.00 C ATOM 1827 C TYR A 111 -37.816 1.687 -19.228 1.00 11.32 C ATOM 1828 O TYR A 111 -37.517 2.510 -18.363 1.00 22.03 O ATOM 1829 CB TYR A 111 -35.718 0.660 -20.122 1.00 50.32 C ATOM 1830 CG TYR A 111 -35.081 1.032 -18.802 1.00 61.03 C ATOM 1831 CD1 TYR A 111 -35.540 0.489 -17.609 1.00 51.02 C ATOM 1832 CD2 TYR A 111 -34.020 1.928 -18.748 1.00 61.04 C ATOM 1833 CE1 TYR A 111 -34.961 0.826 -16.401 1.00 73.12 C ATOM 1834 CE2 TYR A 111 -33.434 2.270 -17.545 1.00 54.22 C ATOM 1835 CZ TYR A 111 -33.908 1.717 -16.375 1.00 34.42 C ATOM 1836 OH TYR A 111 -33.329 2.056 -15.173 1.00 64.14 O ATOM 0 H TYR A 111 -35.931 3.335 -20.403 1.00 4.50 H new ATOM 0 HA TYR A 111 -37.533 0.985 -21.227 1.00 45.00 H new ATOM 0 HB2 TYR A 111 -36.005 -0.391 -20.094 1.00 50.32 H new ATOM 0 HB3 TYR A 111 -34.979 0.768 -20.916 1.00 50.32 H new ATOM 0 HD1 TYR A 111 -36.364 -0.209 -17.626 1.00 51.02 H new ATOM 0 HD2 TYR A 111 -33.647 2.365 -19.663 1.00 61.04 H new ATOM 0 HE1 TYR A 111 -35.330 0.395 -15.482 1.00 73.12 H new ATOM 0 HE2 TYR A 111 -32.609 2.967 -17.521 1.00 54.22 H new ATOM 0 HH TYR A 111 -33.876 1.710 -14.437 1.00 64.14 H new ATOM 1846 N SER A 112 -38.895 0.915 -19.149 1.00 72.31 N ATOM 1847 CA SER A 112 -39.811 0.994 -18.017 1.00 74.22 C ATOM 1848 C SER A 112 -40.712 -0.236 -17.961 1.00 74.33 C ATOM 1849 O SER A 112 -40.865 -0.954 -18.949 1.00 13.52 O ATOM 1850 CB SER A 112 -40.663 2.261 -18.111 1.00 65.21 C ATOM 1851 OG SER A 112 -41.577 2.341 -17.031 1.00 54.34 O ATOM 0 H SER A 112 -39.156 0.227 -19.856 1.00 72.31 H new ATOM 0 HA SER A 112 -39.218 1.031 -17.103 1.00 74.22 H new ATOM 0 HB2 SER A 112 -40.017 3.139 -18.111 1.00 65.21 H new ATOM 0 HB3 SER A 112 -41.208 2.267 -19.055 1.00 65.21 H new ATOM 0 HG SER A 112 -42.213 3.068 -17.194 1.00 54.34 H new ATOM 1857 N GLY A 113 -41.308 -0.474 -16.796 1.00 51.43 N ATOM 1858 CA GLY A 113 -42.188 -1.616 -16.631 1.00 4.23 C ATOM 1859 C GLY A 113 -43.614 -1.313 -17.042 1.00 34.12 C ATOM 1860 O GLY A 113 -44.517 -2.116 -16.807 1.00 31.31 O ATOM 0 H GLY A 113 -41.197 0.104 -15.963 1.00 51.43 H new ATOM 0 HA2 GLY A 113 -41.812 -2.449 -17.224 1.00 4.23 H new ATOM 0 HA3 GLY A 113 -42.173 -1.934 -15.589 1.00 4.23 H new ATOM 1864 N GLU A 114 -43.819 -0.152 -17.654 1.00 45.43 N ATOM 1865 CA GLU A 114 -45.148 0.255 -18.095 1.00 44.25 C ATOM 1866 C GLU A 114 -45.069 1.063 -19.388 1.00 0.15 C ATOM 1867 O GLU A 114 -44.002 1.543 -19.768 1.00 24.44 O ATOM 1868 CB GLU A 114 -45.841 1.080 -17.007 1.00 62.32 C ATOM 1869 CG GLU A 114 -46.279 0.257 -15.808 1.00 1.15 C ATOM 1870 CD GLU A 114 -47.691 0.582 -15.361 1.00 2.12 C ATOM 1871 OE1 GLU A 114 -48.635 -0.059 -15.867 1.00 11.20 O ATOM 1872 OE2 GLU A 114 -47.852 1.478 -14.506 1.00 20.44 O ATOM 0 H GLU A 114 -43.082 0.524 -17.856 1.00 45.43 H new ATOM 0 HA GLU A 114 -45.731 -0.646 -18.285 1.00 44.25 H new ATOM 0 HB2 GLU A 114 -45.164 1.865 -16.671 1.00 62.32 H new ATOM 0 HB3 GLU A 114 -46.713 1.574 -17.437 1.00 62.32 H new ATOM 0 HG2 GLU A 114 -46.216 -0.802 -16.057 1.00 1.15 H new ATOM 0 HG3 GLU A 114 -45.591 0.432 -14.981 1.00 1.15 H new ATOM 1879 N ASN A 115 -46.207 1.208 -20.058 1.00 71.23 N ATOM 1880 CA ASN A 115 -46.268 1.956 -21.309 1.00 42.00 C ATOM 1881 C ASN A 115 -47.174 3.176 -21.170 1.00 23.04 C ATOM 1882 O ASN A 115 -47.823 3.594 -22.129 1.00 35.02 O ATOM 1883 CB ASN A 115 -46.771 1.059 -22.441 1.00 33.23 C ATOM 1884 CG ASN A 115 -46.264 1.502 -23.799 1.00 61.24 C ATOM 1885 OD1 ASN A 115 -47.043 1.692 -24.734 1.00 14.35 O ATOM 1886 ND2 ASN A 115 -44.952 1.667 -23.916 1.00 24.14 N ATOM 0 H ASN A 115 -47.100 0.818 -19.756 1.00 71.23 H new ATOM 0 HA ASN A 115 -45.261 2.299 -21.547 1.00 42.00 H new ATOM 0 HB2 ASN A 115 -46.455 0.033 -22.255 1.00 33.23 H new ATOM 0 HB3 ASN A 115 -47.861 1.061 -22.445 1.00 33.23 H new ATOM 0 HD21 ASN A 115 -44.553 1.962 -24.807 1.00 24.14 H new ATOM 0 HD22 ASN A 115 -44.343 1.498 -23.115 1.00 24.14 H new ATOM 1893 N THR A 116 -47.212 3.744 -19.969 1.00 25.52 N ATOM 1894 CA THR A 116 -48.038 4.915 -19.703 1.00 42.11 C ATOM 1895 C THR A 116 -47.714 5.520 -18.342 1.00 4.14 C ATOM 1896 O THR A 116 -46.906 4.977 -17.587 1.00 10.21 O ATOM 1897 CB THR A 116 -49.538 4.568 -19.753 1.00 71.53 C ATOM 1898 OG1 THR A 116 -50.320 5.767 -19.727 1.00 20.01 O ATOM 1899 CG2 THR A 116 -49.926 3.678 -18.582 1.00 62.23 C ATOM 0 H THR A 116 -46.680 3.412 -19.165 1.00 25.52 H new ATOM 0 HA THR A 116 -47.814 5.642 -20.483 1.00 42.11 H new ATOM 0 HB THR A 116 -49.733 4.028 -20.680 1.00 71.53 H new ATOM 0 HG1 THR A 116 -51.272 5.537 -19.761 1.00 20.01 H new ATOM 0 HG21 THR A 116 -50.990 3.446 -18.638 1.00 62.23 H new ATOM 0 HG22 THR A 116 -49.350 2.753 -18.621 1.00 62.23 H new ATOM 0 HG23 THR A 116 -49.717 4.196 -17.646 1.00 62.23 H new