USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=17 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 Single : A 29 ASN : amide:sc= -0.0687 K(o=-0.069,f=-1.7!) USER MOD Single : A 35 CYS SG : rot -93:sc= 0.698 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -150:sc= -0.198 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 165:sc= -1.35 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 137:sc= -0.153 (180deg=-0.64) USER MOD Single : A 83 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.16!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -123:sc= -1.41 (180deg=-2.24) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 100 HIS : no HD1:sc= -2.74 K(o=-2.7,f=-3.3) USER MOD Single : A 101 LYS NZ :NH3+ 169:sc=-0.00303 (180deg=-0.0964) 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 150:sc= -0.674 USER MOD Single : A 112 SER OG : rot 49:sc= -0.235 USER MOD Single : A 115 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.079) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 471 N ASN A 29 -19.333 -2.172 -36.000 1.00 1.23 N ATOM 472 CA ASN A 29 -20.574 -2.611 -36.625 1.00 73.11 C ATOM 473 C ASN A 29 -21.708 -2.667 -35.606 1.00 32.10 C ATOM 474 O ASN A 29 -22.580 -3.532 -35.678 1.00 74.20 O ATOM 475 CB ASN A 29 -20.386 -3.986 -37.270 1.00 3.10 C ATOM 476 CG ASN A 29 -19.674 -3.906 -38.606 1.00 55.33 C ATOM 477 OD1 ASN A 29 -19.473 -2.820 -39.151 1.00 12.31 O ATOM 478 ND2 ASN A 29 -19.290 -5.058 -39.143 1.00 3.13 N ATOM 0 HA ASN A 29 -20.838 -1.887 -37.396 1.00 73.11 H new ATOM 0 HB2 ASN A 29 -19.816 -4.626 -36.596 1.00 3.10 H new ATOM 0 HB3 ASN A 29 -21.360 -4.456 -37.408 1.00 3.10 H new ATOM 0 HD21 ASN A 29 -18.808 -5.066 -40.042 1.00 3.13 H new ATOM 0 HD22 ASN A 29 -19.477 -5.935 -38.657 1.00 3.13 H new ATOM 485 N ARG A 30 -21.690 -1.736 -34.657 1.00 63.30 N ATOM 486 CA ARG A 30 -22.715 -1.679 -33.622 1.00 65.14 C ATOM 487 C ARG A 30 -23.262 -0.262 -33.477 1.00 51.04 C ATOM 488 O ARG A 30 -22.743 0.679 -34.077 1.00 43.22 O ATOM 489 CB ARG A 30 -22.147 -2.158 -32.285 1.00 2.33 C ATOM 490 CG ARG A 30 -20.712 -1.720 -32.041 1.00 41.14 C ATOM 491 CD ARG A 30 -20.596 -0.206 -31.963 1.00 43.03 C ATOM 492 NE ARG A 30 -19.282 0.218 -31.486 1.00 42.13 N ATOM 493 CZ ARG A 30 -18.825 1.460 -31.600 1.00 3.30 C ATOM 494 NH1 ARG A 30 -19.571 2.395 -32.172 1.00 51.14 N ATOM 495 NH2 ARG A 30 -17.619 1.770 -31.142 1.00 31.50 N ATOM 0 H ARG A 30 -20.976 -1.011 -34.584 1.00 63.30 H new ATOM 0 HA ARG A 30 -23.532 -2.337 -33.918 1.00 65.14 H new ATOM 0 HB2 ARG A 30 -22.775 -1.782 -31.477 1.00 2.33 H new ATOM 0 HB3 ARG A 30 -22.197 -3.246 -32.247 1.00 2.33 H new ATOM 0 HG2 ARG A 30 -20.349 -2.162 -31.113 1.00 41.14 H new ATOM 0 HG3 ARG A 30 -20.075 -2.094 -32.843 1.00 41.14 H new ATOM 0 HD2 ARG A 30 -20.780 0.223 -32.948 1.00 43.03 H new ATOM 0 HD3 ARG A 30 -21.366 0.183 -31.297 1.00 43.03 H new ATOM 0 HE ARG A 30 -18.683 -0.477 -31.041 1.00 42.13 H new ATOM 0 HH11 ARG A 30 -20.499 2.161 -32.526 1.00 51.14 H new ATOM 0 HH12 ARG A 30 -19.217 3.348 -32.258 1.00 51.14 H new ATOM 0 HH21 ARG A 30 -17.041 1.054 -30.702 1.00 31.50 H new ATOM 0 HH22 ARG A 30 -17.270 2.724 -31.230 1.00 31.50 H new ATOM 509 N ILE A 31 -24.314 -0.119 -32.679 1.00 32.34 N ATOM 510 CA ILE A 31 -24.932 1.182 -32.454 1.00 41.34 C ATOM 511 C ILE A 31 -24.892 1.563 -30.979 1.00 10.13 C ATOM 512 O ILE A 31 -25.398 0.847 -30.113 1.00 64.43 O ATOM 513 CB ILE A 31 -26.394 1.203 -32.940 1.00 24.43 C ATOM 514 CG1 ILE A 31 -27.082 -0.123 -32.609 1.00 64.13 C ATOM 515 CG2 ILE A 31 -26.452 1.478 -34.435 1.00 22.53 C ATOM 516 CD1 ILE A 31 -28.592 -0.031 -32.589 1.00 71.42 C ATOM 0 H ILE A 31 -24.757 -0.889 -32.177 1.00 32.34 H new ATOM 0 HA ILE A 31 -24.357 1.908 -33.029 1.00 41.34 H new ATOM 0 HB ILE A 31 -26.922 2.004 -32.423 1.00 24.43 H new ATOM 0 HG12 ILE A 31 -26.781 -0.872 -33.342 1.00 64.13 H new ATOM 0 HG13 ILE A 31 -26.734 -0.471 -31.636 1.00 64.13 H new ATOM 0 HG21 ILE A 31 -27.491 1.490 -34.763 1.00 22.53 H new ATOM 0 HG22 ILE A 31 -25.994 2.445 -34.645 1.00 22.53 H new ATOM 0 HG23 ILE A 31 -25.912 0.697 -34.970 1.00 22.53 H new ATOM 0 HD11 ILE A 31 -29.013 -1.007 -32.348 1.00 71.42 H new ATOM 0 HD12 ILE A 31 -28.902 0.694 -31.837 1.00 71.42 H new ATOM 0 HD13 ILE A 31 -28.950 0.286 -33.568 1.00 71.42 H new ATOM 528 N PRO A 32 -24.280 2.719 -30.682 1.00 21.40 N ATOM 529 CA PRO A 32 -24.162 3.222 -29.310 1.00 42.35 C ATOM 530 C PRO A 32 -25.502 3.674 -28.741 1.00 72.20 C ATOM 531 O PRO A 32 -25.891 4.833 -28.885 1.00 4.21 O ATOM 532 CB PRO A 32 -23.212 4.415 -29.451 1.00 21.21 C ATOM 533 CG PRO A 32 -23.374 4.864 -30.862 1.00 34.11 C ATOM 534 CD PRO A 32 -23.655 3.622 -31.662 1.00 52.01 C ATOM 0 HA PRO A 32 -23.806 2.454 -28.623 1.00 42.35 H new ATOM 0 HB2 PRO A 32 -23.468 5.210 -28.751 1.00 21.21 H new ATOM 0 HB3 PRO A 32 -22.181 4.127 -29.243 1.00 21.21 H new ATOM 0 HG2 PRO A 32 -24.191 5.580 -30.952 1.00 34.11 H new ATOM 0 HG3 PRO A 32 -22.473 5.363 -31.219 1.00 34.11 H new ATOM 0 HD2 PRO A 32 -24.320 3.826 -32.501 1.00 52.01 H new ATOM 0 HD3 PRO A 32 -22.741 3.195 -32.076 1.00 52.01 H new ATOM 542 N VAL A 33 -26.206 2.751 -28.094 1.00 1.20 N ATOM 543 CA VAL A 33 -27.504 3.054 -27.502 1.00 4.05 C ATOM 544 C VAL A 33 -27.366 3.386 -26.020 1.00 14.21 C ATOM 545 O VAL A 33 -26.688 2.678 -25.276 1.00 24.31 O ATOM 546 CB VAL A 33 -28.485 1.879 -27.665 1.00 30.42 C ATOM 547 CG1 VAL A 33 -28.638 1.511 -29.133 1.00 3.12 C ATOM 548 CG2 VAL A 33 -28.019 0.680 -26.853 1.00 70.00 C ATOM 0 H VAL A 33 -25.899 1.787 -27.966 1.00 1.20 H new ATOM 0 HA VAL A 33 -27.899 3.921 -28.031 1.00 4.05 H new ATOM 0 HB VAL A 33 -29.460 2.188 -27.289 1.00 30.42 H new ATOM 0 HG11 VAL A 33 -29.335 0.679 -29.229 1.00 3.12 H new ATOM 0 HG12 VAL A 33 -29.020 2.370 -29.685 1.00 3.12 H new ATOM 0 HG13 VAL A 33 -27.669 1.221 -29.538 1.00 3.12 H new ATOM 0 HG21 VAL A 33 -28.724 -0.142 -26.980 1.00 70.00 H new ATOM 0 HG22 VAL A 33 -27.033 0.368 -27.197 1.00 70.00 H new ATOM 0 HG23 VAL A 33 -27.966 0.953 -25.799 1.00 70.00 H new ATOM 558 N ILE A 34 -28.017 4.465 -25.598 1.00 71.11 N ATOM 559 CA ILE A 34 -27.969 4.889 -24.204 1.00 13.13 C ATOM 560 C ILE A 34 -29.248 4.502 -23.468 1.00 72.03 C ATOM 561 O ILE A 34 -30.342 4.933 -23.835 1.00 5.22 O ATOM 562 CB ILE A 34 -27.762 6.410 -24.085 1.00 74.31 C ATOM 563 CG1 ILE A 34 -26.494 6.833 -24.829 1.00 53.24 C ATOM 564 CG2 ILE A 34 -27.686 6.822 -22.622 1.00 73.21 C ATOM 565 CD1 ILE A 34 -26.749 7.279 -26.253 1.00 31.51 C ATOM 0 H ILE A 34 -28.584 5.061 -26.201 1.00 71.11 H new ATOM 0 HA ILE A 34 -27.121 4.379 -23.748 1.00 13.13 H new ATOM 0 HB ILE A 34 -28.614 6.915 -24.540 1.00 74.31 H new ATOM 0 HG12 ILE A 34 -26.016 7.646 -24.282 1.00 53.24 H new ATOM 0 HG13 ILE A 34 -25.792 5.999 -24.838 1.00 53.24 H new ATOM 0 HG21 ILE A 34 -27.539 7.900 -22.555 1.00 73.21 H new ATOM 0 HG22 ILE A 34 -28.614 6.550 -22.119 1.00 73.21 H new ATOM 0 HG23 ILE A 34 -26.850 6.312 -22.143 1.00 73.21 H new ATOM 0 HD11 ILE A 34 -25.806 7.564 -26.719 1.00 31.51 H new ATOM 0 HD12 ILE A 34 -27.199 6.461 -26.815 1.00 31.51 H new ATOM 0 HD13 ILE A 34 -27.426 8.133 -26.251 1.00 31.51 H new ATOM 577 N CYS A 35 -29.102 3.690 -22.427 1.00 43.04 N ATOM 578 CA CYS A 35 -30.246 3.245 -21.638 1.00 4.43 C ATOM 579 C CYS A 35 -30.623 4.290 -20.592 1.00 43.55 C ATOM 580 O CYS A 35 -29.840 4.592 -19.692 1.00 74.45 O ATOM 581 CB CYS A 35 -29.933 1.913 -20.955 1.00 52.01 C ATOM 582 SG CYS A 35 -31.135 0.607 -21.302 1.00 12.12 S ATOM 0 H CYS A 35 -28.203 3.326 -22.109 1.00 43.04 H new ATOM 0 HA CYS A 35 -31.092 3.110 -22.312 1.00 4.43 H new ATOM 0 HB2 CYS A 35 -28.946 1.577 -21.272 1.00 52.01 H new ATOM 0 HB3 CYS A 35 -29.885 2.071 -19.878 1.00 52.01 H new ATOM 0 HG CYS A 35 -32.042 0.594 -20.371 1.00 12.12 H new ATOM 588 N GLU A 36 -31.827 4.840 -20.720 1.00 42.04 N ATOM 589 CA GLU A 36 -32.306 5.853 -19.788 1.00 10.10 C ATOM 590 C GLU A 36 -33.379 5.280 -18.866 1.00 52.01 C ATOM 591 O GLU A 36 -34.055 4.310 -19.210 1.00 73.14 O ATOM 592 CB GLU A 36 -32.862 7.058 -20.549 1.00 74.55 C ATOM 593 CG GLU A 36 -31.807 7.826 -21.327 1.00 33.23 C ATOM 594 CD GLU A 36 -31.576 7.260 -22.714 1.00 75.23 C ATOM 595 OE1 GLU A 36 -32.499 6.614 -23.253 1.00 75.32 O ATOM 596 OE2 GLU A 36 -30.472 7.462 -23.261 1.00 3.01 O ATOM 0 H GLU A 36 -32.487 4.601 -21.460 1.00 42.04 H new ATOM 0 HA GLU A 36 -31.462 6.176 -19.179 1.00 10.10 H new ATOM 0 HB2 GLU A 36 -33.634 6.717 -21.239 1.00 74.55 H new ATOM 0 HB3 GLU A 36 -33.343 7.733 -19.842 1.00 74.55 H new ATOM 0 HG2 GLU A 36 -32.111 8.869 -21.411 1.00 33.23 H new ATOM 0 HG3 GLU A 36 -30.869 7.811 -20.772 1.00 33.23 H new ATOM 603 N LYS A 37 -33.530 5.887 -17.694 1.00 22.40 N ATOM 604 CA LYS A 37 -34.520 5.439 -16.722 1.00 41.21 C ATOM 605 C LYS A 37 -35.595 6.500 -16.513 1.00 3.52 C ATOM 606 O LYS A 37 -35.303 7.616 -16.082 1.00 52.53 O ATOM 607 CB LYS A 37 -33.844 5.112 -15.388 1.00 33.22 C ATOM 608 CG LYS A 37 -33.087 6.283 -14.787 1.00 64.24 C ATOM 609 CD LYS A 37 -32.197 5.840 -13.638 1.00 4.13 C ATOM 610 CE LYS A 37 -31.683 7.029 -12.840 1.00 41.15 C ATOM 611 NZ LYS A 37 -30.637 7.785 -13.584 1.00 51.13 N ATOM 0 H LYS A 37 -32.979 6.691 -17.394 1.00 22.40 H new ATOM 0 HA LYS A 37 -34.994 4.538 -17.112 1.00 41.21 H new ATOM 0 HB2 LYS A 37 -34.601 4.777 -14.679 1.00 33.22 H new ATOM 0 HB3 LYS A 37 -33.154 4.281 -15.534 1.00 33.22 H new ATOM 0 HG2 LYS A 37 -32.479 6.758 -15.557 1.00 64.24 H new ATOM 0 HG3 LYS A 37 -33.795 7.032 -14.432 1.00 64.24 H new ATOM 0 HD2 LYS A 37 -32.755 5.173 -12.981 1.00 4.13 H new ATOM 0 HD3 LYS A 37 -31.354 5.271 -14.028 1.00 4.13 H new ATOM 0 HE2 LYS A 37 -32.513 7.694 -12.604 1.00 41.15 H new ATOM 0 HE3 LYS A 37 -31.274 6.681 -11.892 1.00 41.15 H new ATOM 0 HZ1 LYS A 37 -30.312 8.587 -13.007 1.00 51.13 H new ATOM 0 HZ2 LYS A 37 -29.833 7.157 -13.787 1.00 51.13 H new ATOM 0 HZ3 LYS A 37 -31.034 8.139 -14.477 1.00 51.13 H new ATOM 625 N ALA A 38 -36.838 6.145 -16.817 1.00 73.04 N ATOM 626 CA ALA A 38 -37.957 7.067 -16.660 1.00 24.22 C ATOM 627 C ALA A 38 -38.245 7.333 -15.186 1.00 5.14 C ATOM 628 O ALA A 38 -38.161 6.429 -14.355 1.00 14.22 O ATOM 629 CB ALA A 38 -39.196 6.516 -17.350 1.00 44.13 C ATOM 0 H ALA A 38 -37.097 5.225 -17.174 1.00 73.04 H new ATOM 0 HA ALA A 38 -37.685 8.013 -17.128 1.00 24.22 H new ATOM 0 HB1 ALA A 38 -40.023 7.215 -17.225 1.00 44.13 H new ATOM 0 HB2 ALA A 38 -38.992 6.382 -18.412 1.00 44.13 H new ATOM 0 HB3 ALA A 38 -39.462 5.556 -16.908 1.00 44.13 H new ATOM 635 N GLU A 39 -38.582 8.579 -14.869 1.00 53.11 N ATOM 636 CA GLU A 39 -38.880 8.963 -13.495 1.00 22.53 C ATOM 637 C GLU A 39 -40.333 8.653 -13.145 1.00 43.34 C ATOM 638 O GLU A 39 -40.764 8.841 -12.008 1.00 11.44 O ATOM 639 CB GLU A 39 -38.600 10.453 -13.286 1.00 13.44 C ATOM 640 CG GLU A 39 -37.154 10.757 -12.935 1.00 2.43 C ATOM 641 CD GLU A 39 -36.969 12.158 -12.384 1.00 11.30 C ATOM 642 OE1 GLU A 39 -37.821 12.597 -11.583 1.00 43.11 O ATOM 643 OE2 GLU A 39 -35.974 12.815 -12.753 1.00 44.21 O ATOM 0 H GLU A 39 -38.655 9.339 -15.545 1.00 53.11 H new ATOM 0 HA GLU A 39 -38.234 8.383 -12.835 1.00 22.53 H new ATOM 0 HB2 GLU A 39 -38.866 10.995 -14.193 1.00 13.44 H new ATOM 0 HB3 GLU A 39 -39.245 10.827 -12.491 1.00 13.44 H new ATOM 0 HG2 GLU A 39 -36.802 10.032 -12.200 1.00 2.43 H new ATOM 0 HG3 GLU A 39 -36.535 10.636 -13.824 1.00 2.43 H new ATOM 650 N LYS A 40 -41.083 8.178 -14.133 1.00 55.35 N ATOM 651 CA LYS A 40 -42.489 7.841 -13.934 1.00 24.21 C ATOM 652 C LYS A 40 -42.686 6.329 -13.902 1.00 70.44 C ATOM 653 O LYS A 40 -43.442 5.775 -14.700 1.00 22.14 O ATOM 654 CB LYS A 40 -43.344 8.454 -15.044 1.00 2.33 C ATOM 655 CG LYS A 40 -44.760 8.789 -14.607 1.00 2.24 C ATOM 656 CD LYS A 40 -44.839 10.176 -13.990 1.00 33.12 C ATOM 657 CE LYS A 40 -46.137 10.877 -14.358 1.00 34.21 C ATOM 658 NZ LYS A 40 -46.043 11.562 -15.677 1.00 52.45 N ATOM 0 H LYS A 40 -40.741 8.017 -15.081 1.00 55.35 H new ATOM 0 HA LYS A 40 -42.803 8.251 -12.974 1.00 24.21 H new ATOM 0 HB2 LYS A 40 -42.860 9.362 -15.405 1.00 2.33 H new ATOM 0 HB3 LYS A 40 -43.386 7.760 -15.884 1.00 2.33 H new ATOM 0 HG2 LYS A 40 -45.430 8.733 -15.465 1.00 2.24 H new ATOM 0 HG3 LYS A 40 -45.104 8.048 -13.885 1.00 2.24 H new ATOM 0 HD2 LYS A 40 -44.761 10.098 -12.906 1.00 33.12 H new ATOM 0 HD3 LYS A 40 -43.993 10.774 -14.328 1.00 33.12 H new ATOM 0 HE2 LYS A 40 -46.948 10.149 -14.384 1.00 34.21 H new ATOM 0 HE3 LYS A 40 -46.387 11.606 -13.587 1.00 34.21 H new ATOM 0 HZ1 LYS A 40 -46.948 12.028 -15.892 1.00 52.45 H new ATOM 0 HZ2 LYS A 40 -45.286 12.274 -15.645 1.00 52.45 H new ATOM 0 HZ3 LYS A 40 -45.830 10.863 -16.417 1.00 52.45 H new ATOM 672 N SER A 41 -42.002 5.667 -12.974 1.00 61.01 N ATOM 673 CA SER A 41 -42.101 4.218 -12.840 1.00 24.42 C ATOM 674 C SER A 41 -41.287 3.726 -11.646 1.00 72.15 C ATOM 675 O SER A 41 -40.444 4.450 -11.115 1.00 75.22 O ATOM 676 CB SER A 41 -41.617 3.532 -14.119 1.00 53.53 C ATOM 677 OG SER A 41 -41.684 2.122 -13.998 1.00 30.12 O ATOM 0 H SER A 41 -41.374 6.111 -12.304 1.00 61.01 H new ATOM 0 HA SER A 41 -43.148 3.964 -12.674 1.00 24.42 H new ATOM 0 HB2 SER A 41 -42.226 3.857 -14.963 1.00 53.53 H new ATOM 0 HB3 SER A 41 -40.591 3.834 -14.331 1.00 53.53 H new ATOM 0 HG SER A 41 -40.984 1.713 -14.548 1.00 30.12 H new ATOM 683 N ASP A 42 -41.546 2.491 -11.231 1.00 40.14 N ATOM 684 CA ASP A 42 -40.837 1.900 -10.101 1.00 52.45 C ATOM 685 C ASP A 42 -39.642 1.080 -10.579 1.00 14.34 C ATOM 686 O ASP A 42 -39.166 0.192 -9.871 1.00 43.32 O ATOM 687 CB ASP A 42 -41.783 1.019 -9.284 1.00 24.12 C ATOM 688 CG ASP A 42 -41.325 0.854 -7.849 1.00 43.30 C ATOM 689 OD1 ASP A 42 -41.500 1.804 -7.058 1.00 3.33 O ATOM 690 OD2 ASP A 42 -40.789 -0.224 -7.516 1.00 42.52 O ATOM 0 H ASP A 42 -42.241 1.880 -11.659 1.00 40.14 H new ATOM 0 HA ASP A 42 -40.470 2.709 -9.469 1.00 52.45 H new ATOM 0 HB2 ASP A 42 -42.782 1.455 -9.296 1.00 24.12 H new ATOM 0 HB3 ASP A 42 -41.858 0.038 -9.754 1.00 24.12 H new ATOM 695 N ILE A 43 -39.165 1.384 -11.781 1.00 24.42 N ATOM 696 CA ILE A 43 -38.026 0.675 -12.351 1.00 22.32 C ATOM 697 C ILE A 43 -36.724 1.094 -11.676 1.00 44.33 C ATOM 698 O ILE A 43 -36.435 2.280 -11.511 1.00 32.30 O ATOM 699 CB ILE A 43 -37.909 0.924 -13.866 1.00 20.22 C ATOM 700 CG1 ILE A 43 -36.934 -0.073 -14.495 1.00 72.31 C ATOM 701 CG2 ILE A 43 -37.462 2.353 -14.135 1.00 62.43 C ATOM 702 CD1 ILE A 43 -37.549 -1.428 -14.771 1.00 41.10 C ATOM 0 H ILE A 43 -39.549 2.116 -12.379 1.00 24.42 H new ATOM 0 HA ILE A 43 -38.197 -0.388 -12.178 1.00 22.32 H new ATOM 0 HB ILE A 43 -38.889 0.780 -14.320 1.00 20.22 H new ATOM 0 HG12 ILE A 43 -36.555 0.342 -15.429 1.00 72.31 H new ATOM 0 HG13 ILE A 43 -36.078 -0.200 -13.832 1.00 72.31 H new ATOM 0 HG21 ILE A 43 -37.384 2.513 -15.210 1.00 62.43 H new ATOM 0 HG22 ILE A 43 -38.191 3.047 -13.716 1.00 62.43 H new ATOM 0 HG23 ILE A 43 -36.490 2.524 -13.671 1.00 62.43 H new ATOM 0 HD11 ILE A 43 -36.801 -2.083 -15.217 1.00 41.10 H new ATOM 0 HD12 ILE A 43 -37.903 -1.864 -13.837 1.00 41.10 H new ATOM 0 HD13 ILE A 43 -38.387 -1.314 -15.459 1.00 41.10 H new ATOM 714 N PRO A 44 -35.917 0.099 -11.278 1.00 53.31 N ATOM 715 CA PRO A 44 -34.630 0.339 -10.617 1.00 54.45 C ATOM 716 C PRO A 44 -33.594 0.932 -11.565 1.00 23.03 C ATOM 717 O PRO A 44 -33.731 0.840 -12.785 1.00 2.33 O ATOM 718 CB PRO A 44 -34.201 -1.056 -10.160 1.00 65.31 C ATOM 719 CG PRO A 44 -34.890 -1.990 -11.094 1.00 21.40 C ATOM 720 CD PRO A 44 -36.198 -1.337 -11.442 1.00 51.24 C ATOM 0 HA PRO A 44 -34.717 1.060 -9.804 1.00 54.45 H new ATOM 0 HB2 PRO A 44 -33.118 -1.173 -10.210 1.00 65.31 H new ATOM 0 HB3 PRO A 44 -34.494 -1.242 -9.127 1.00 65.31 H new ATOM 0 HG2 PRO A 44 -34.290 -2.162 -11.987 1.00 21.40 H new ATOM 0 HG3 PRO A 44 -35.051 -2.961 -10.626 1.00 21.40 H new ATOM 0 HD2 PRO A 44 -36.506 -1.572 -12.461 1.00 51.24 H new ATOM 0 HD3 PRO A 44 -37.000 -1.667 -10.782 1.00 51.24 H new ATOM 728 N GLU A 45 -32.557 1.540 -10.996 1.00 13.42 N ATOM 729 CA GLU A 45 -31.497 2.148 -11.792 1.00 54.44 C ATOM 730 C GLU A 45 -30.586 1.080 -12.391 1.00 13.02 C ATOM 731 O GLU A 45 -30.004 0.271 -11.668 1.00 61.05 O ATOM 732 CB GLU A 45 -30.677 3.114 -10.936 1.00 62.10 C ATOM 733 CG GLU A 45 -29.367 3.537 -11.581 1.00 75.21 C ATOM 734 CD GLU A 45 -28.882 4.886 -11.087 1.00 64.44 C ATOM 735 OE1 GLU A 45 -28.724 5.045 -9.858 1.00 35.22 O ATOM 736 OE2 GLU A 45 -28.660 5.782 -11.927 1.00 50.25 O ATOM 0 H GLU A 45 -32.429 1.624 -9.988 1.00 13.42 H new ATOM 0 HA GLU A 45 -31.962 2.702 -12.607 1.00 54.44 H new ATOM 0 HB2 GLU A 45 -31.275 4.002 -10.731 1.00 62.10 H new ATOM 0 HB3 GLU A 45 -30.464 2.644 -9.976 1.00 62.10 H new ATOM 0 HG2 GLU A 45 -28.606 2.784 -11.376 1.00 75.21 H new ATOM 0 HG3 GLU A 45 -29.495 3.575 -12.663 1.00 75.21 H new ATOM 743 N ILE A 46 -30.469 1.086 -13.714 1.00 44.25 N ATOM 744 CA ILE A 46 -29.628 0.119 -14.410 1.00 41.12 C ATOM 745 C ILE A 46 -28.161 0.294 -14.033 1.00 2.51 C ATOM 746 O ILE A 46 -27.708 1.406 -13.760 1.00 1.12 O ATOM 747 CB ILE A 46 -29.771 0.245 -15.938 1.00 50.30 C ATOM 748 CG1 ILE A 46 -28.901 -0.798 -16.642 1.00 2.23 C ATOM 749 CG2 ILE A 46 -29.398 1.648 -16.391 1.00 44.32 C ATOM 750 CD1 ILE A 46 -29.250 -2.224 -16.277 1.00 14.53 C ATOM 0 H ILE A 46 -30.945 1.749 -14.326 1.00 44.25 H new ATOM 0 HA ILE A 46 -29.965 -0.871 -14.102 1.00 41.12 H new ATOM 0 HB ILE A 46 -30.811 0.063 -16.207 1.00 50.30 H new ATOM 0 HG12 ILE A 46 -29.000 -0.673 -17.720 1.00 2.23 H new ATOM 0 HG13 ILE A 46 -27.856 -0.614 -16.394 1.00 2.23 H new ATOM 0 HG21 ILE A 46 -29.504 1.721 -17.473 1.00 44.32 H new ATOM 0 HG22 ILE A 46 -30.057 2.372 -15.912 1.00 44.32 H new ATOM 0 HG23 ILE A 46 -28.365 1.858 -16.113 1.00 44.32 H new ATOM 0 HD11 ILE A 46 -28.593 -2.908 -16.814 1.00 14.53 H new ATOM 0 HD12 ILE A 46 -29.124 -2.366 -15.204 1.00 14.53 H new ATOM 0 HD13 ILE A 46 -30.286 -2.427 -16.550 1.00 14.53 H new ATOM 762 N ASP A 47 -27.423 -0.810 -14.021 1.00 34.52 N ATOM 763 CA ASP A 47 -26.005 -0.780 -13.680 1.00 0.21 C ATOM 764 C ASP A 47 -25.281 0.309 -14.466 1.00 33.41 C ATOM 765 O ASP A 47 -24.859 1.320 -13.905 1.00 35.14 O ATOM 766 CB ASP A 47 -25.363 -2.140 -13.956 1.00 22.11 C ATOM 767 CG ASP A 47 -23.948 -2.231 -13.420 1.00 65.23 C ATOM 768 OD1 ASP A 47 -23.634 -1.510 -12.451 1.00 21.25 O ATOM 769 OD2 ASP A 47 -23.154 -3.022 -13.971 1.00 72.22 O ATOM 0 H ASP A 47 -27.783 -1.738 -14.244 1.00 34.52 H new ATOM 0 HA ASP A 47 -25.916 -0.556 -12.617 1.00 0.21 H new ATOM 0 HB2 ASP A 47 -25.971 -2.924 -13.504 1.00 22.11 H new ATOM 0 HB3 ASP A 47 -25.354 -2.323 -15.030 1.00 22.11 H new ATOM 774 N LYS A 48 -25.139 0.093 -15.769 1.00 53.22 N ATOM 775 CA LYS A 48 -24.466 1.055 -16.635 1.00 41.14 C ATOM 776 C LYS A 48 -25.472 1.807 -17.499 1.00 72.20 C ATOM 777 O LYS A 48 -26.620 1.386 -17.641 1.00 14.22 O ATOM 778 CB LYS A 48 -23.445 0.343 -17.525 1.00 64.40 C ATOM 779 CG LYS A 48 -22.390 -0.425 -16.747 1.00 4.11 C ATOM 780 CD LYS A 48 -20.992 -0.134 -17.268 1.00 72.22 C ATOM 781 CE LYS A 48 -20.023 -1.255 -16.920 1.00 11.31 C ATOM 782 NZ LYS A 48 -19.406 -1.058 -15.580 1.00 1.12 N ATOM 0 H LYS A 48 -25.481 -0.740 -16.249 1.00 53.22 H new ATOM 0 HA LYS A 48 -23.948 1.775 -16.002 1.00 41.14 H new ATOM 0 HB2 LYS A 48 -23.970 -0.346 -18.186 1.00 64.40 H new ATOM 0 HB3 LYS A 48 -22.952 1.080 -18.159 1.00 64.40 H new ATOM 0 HG2 LYS A 48 -22.449 -0.159 -15.692 1.00 4.11 H new ATOM 0 HG3 LYS A 48 -22.591 -1.494 -16.818 1.00 4.11 H new ATOM 0 HD2 LYS A 48 -21.025 -0.003 -18.350 1.00 72.22 H new ATOM 0 HD3 LYS A 48 -20.633 0.804 -16.844 1.00 72.22 H new ATOM 0 HE2 LYS A 48 -20.549 -2.209 -16.941 1.00 11.31 H new ATOM 0 HE3 LYS A 48 -19.240 -1.306 -17.676 1.00 11.31 H new ATOM 0 HZ1 LYS A 48 -18.753 -1.842 -15.380 1.00 1.12 H new ATOM 0 HZ2 LYS A 48 -18.883 -0.159 -15.568 1.00 1.12 H new ATOM 0 HZ3 LYS A 48 -20.151 -1.035 -14.855 1.00 1.12 H new ATOM 796 N ARG A 49 -25.034 2.921 -18.077 1.00 22.15 N ATOM 797 CA ARG A 49 -25.897 3.731 -18.927 1.00 64.14 C ATOM 798 C ARG A 49 -25.571 3.509 -20.401 1.00 72.05 C ATOM 799 O ARG A 49 -26.468 3.357 -21.232 1.00 2.34 O ATOM 800 CB ARG A 49 -25.747 5.213 -18.578 1.00 50.24 C ATOM 801 CG ARG A 49 -24.313 5.714 -18.650 1.00 35.41 C ATOM 802 CD ARG A 49 -24.198 7.145 -18.152 1.00 12.23 C ATOM 803 NE ARG A 49 -22.810 7.536 -17.926 1.00 45.11 N ATOM 804 CZ ARG A 49 -22.443 8.749 -17.524 1.00 71.42 C ATOM 805 NH1 ARG A 49 -23.358 9.682 -17.304 1.00 45.33 N ATOM 806 NH2 ARG A 49 -21.158 9.028 -17.342 1.00 72.10 N ATOM 0 H ARG A 49 -24.086 3.283 -17.972 1.00 22.15 H new ATOM 0 HA ARG A 49 -26.928 3.426 -18.751 1.00 64.14 H new ATOM 0 HB2 ARG A 49 -26.363 5.802 -19.258 1.00 50.24 H new ATOM 0 HB3 ARG A 49 -26.132 5.381 -17.572 1.00 50.24 H new ATOM 0 HG2 ARG A 49 -23.670 5.067 -18.053 1.00 35.41 H new ATOM 0 HG3 ARG A 49 -23.957 5.656 -19.679 1.00 35.41 H new ATOM 0 HD2 ARG A 49 -24.651 7.819 -18.879 1.00 12.23 H new ATOM 0 HD3 ARG A 49 -24.760 7.252 -17.224 1.00 12.23 H new ATOM 0 HE ARG A 49 -22.081 6.840 -18.085 1.00 45.11 H new ATOM 0 HH11 ARG A 49 -24.346 9.470 -17.443 1.00 45.33 H new ATOM 0 HH12 ARG A 49 -23.074 10.612 -16.996 1.00 45.33 H new ATOM 0 HH21 ARG A 49 -20.452 8.312 -17.511 1.00 72.10 H new ATOM 0 HH22 ARG A 49 -20.877 9.959 -17.034 1.00 72.10 H new ATOM 820 N LYS A 50 -24.281 3.493 -20.721 1.00 32.10 N ATOM 821 CA LYS A 50 -23.834 3.288 -22.094 1.00 55.22 C ATOM 822 C LYS A 50 -23.999 1.830 -22.508 1.00 54.23 C ATOM 823 O LYS A 50 -23.540 0.922 -21.816 1.00 74.41 O ATOM 824 CB LYS A 50 -22.372 3.710 -22.244 1.00 42.33 C ATOM 825 CG LYS A 50 -21.958 3.971 -23.683 1.00 34.32 C ATOM 826 CD LYS A 50 -20.451 4.118 -23.811 1.00 53.43 C ATOM 827 CE LYS A 50 -19.770 2.766 -23.955 1.00 30.32 C ATOM 828 NZ LYS A 50 -18.504 2.697 -23.173 1.00 73.02 N ATOM 0 H LYS A 50 -23.526 3.620 -20.047 1.00 32.10 H new ATOM 0 HA LYS A 50 -24.452 3.904 -22.747 1.00 55.22 H new ATOM 0 HB2 LYS A 50 -22.201 4.612 -21.656 1.00 42.33 H new ATOM 0 HB3 LYS A 50 -21.733 2.932 -21.827 1.00 42.33 H new ATOM 0 HG2 LYS A 50 -22.300 3.152 -24.315 1.00 34.32 H new ATOM 0 HG3 LYS A 50 -22.445 4.877 -24.044 1.00 34.32 H new ATOM 0 HD2 LYS A 50 -20.217 4.739 -24.676 1.00 53.43 H new ATOM 0 HD3 LYS A 50 -20.059 4.633 -22.934 1.00 53.43 H new ATOM 0 HE2 LYS A 50 -20.447 1.981 -23.620 1.00 30.32 H new ATOM 0 HE3 LYS A 50 -19.558 2.576 -25.007 1.00 30.32 H new ATOM 0 HZ1 LYS A 50 -18.070 1.760 -23.297 1.00 73.02 H new ATOM 0 HZ2 LYS A 50 -17.848 3.430 -23.510 1.00 73.02 H new ATOM 0 HZ3 LYS A 50 -18.709 2.853 -22.165 1.00 73.02 H new ATOM 842 N TYR A 51 -24.657 1.613 -23.642 1.00 64.34 N ATOM 843 CA TYR A 51 -24.882 0.264 -24.149 1.00 34.03 C ATOM 844 C TYR A 51 -24.348 0.119 -25.570 1.00 70.14 C ATOM 845 O TYR A 51 -24.282 1.092 -26.324 1.00 74.50 O ATOM 846 CB TYR A 51 -26.375 -0.072 -24.117 1.00 22.33 C ATOM 847 CG TYR A 51 -26.749 -1.060 -23.035 1.00 54.43 C ATOM 848 CD1 TYR A 51 -26.288 -0.904 -21.734 1.00 12.11 C ATOM 849 CD2 TYR A 51 -27.566 -2.149 -23.315 1.00 32.03 C ATOM 850 CE1 TYR A 51 -26.628 -1.805 -20.744 1.00 23.03 C ATOM 851 CE2 TYR A 51 -27.912 -3.053 -22.330 1.00 72.44 C ATOM 852 CZ TYR A 51 -27.440 -2.878 -21.046 1.00 4.41 C ATOM 853 OH TYR A 51 -27.782 -3.776 -20.061 1.00 62.13 O ATOM 0 H TYR A 51 -25.044 2.354 -24.227 1.00 64.34 H new ATOM 0 HA TYR A 51 -24.344 -0.433 -23.506 1.00 34.03 H new ATOM 0 HB2 TYR A 51 -26.943 0.847 -23.971 1.00 22.33 H new ATOM 0 HB3 TYR A 51 -26.669 -0.477 -25.085 1.00 22.33 H new ATOM 0 HD1 TYR A 51 -25.653 -0.064 -21.493 1.00 12.11 H new ATOM 0 HD2 TYR A 51 -27.936 -2.291 -24.320 1.00 32.03 H new ATOM 0 HE1 TYR A 51 -26.260 -1.670 -19.738 1.00 23.03 H new ATOM 0 HE2 TYR A 51 -28.549 -3.893 -22.564 1.00 72.44 H new ATOM 0 HH TYR A 51 -28.535 -4.324 -20.365 1.00 62.13 H new ATOM 863 N LEU A 52 -23.966 -1.102 -25.930 1.00 50.42 N ATOM 864 CA LEU A 52 -23.438 -1.376 -27.261 1.00 64.33 C ATOM 865 C LEU A 52 -24.189 -2.530 -27.918 1.00 72.34 C ATOM 866 O LEU A 52 -23.819 -3.694 -27.763 1.00 40.21 O ATOM 867 CB LEU A 52 -21.945 -1.705 -27.181 1.00 12.35 C ATOM 868 CG LEU A 52 -20.989 -0.520 -27.323 1.00 54.45 C ATOM 869 CD1 LEU A 52 -20.217 -0.298 -26.032 1.00 75.14 C ATOM 870 CD2 LEU A 52 -20.034 -0.743 -28.487 1.00 22.15 C ATOM 0 H LEU A 52 -24.012 -1.917 -25.319 1.00 50.42 H new ATOM 0 HA LEU A 52 -23.576 -0.483 -27.870 1.00 64.33 H new ATOM 0 HB2 LEU A 52 -21.751 -2.190 -26.224 1.00 12.35 H new ATOM 0 HB3 LEU A 52 -21.711 -2.431 -27.960 1.00 12.35 H new ATOM 0 HG LEU A 52 -21.577 0.375 -27.527 1.00 54.45 H new ATOM 0 HD11 LEU A 52 -19.542 0.549 -26.153 1.00 75.14 H new ATOM 0 HD12 LEU A 52 -20.916 -0.093 -25.221 1.00 75.14 H new ATOM 0 HD13 LEU A 52 -19.639 -1.191 -25.795 1.00 75.14 H new ATOM 0 HD21 LEU A 52 -19.361 0.110 -28.574 1.00 22.15 H new ATOM 0 HD22 LEU A 52 -19.452 -1.648 -28.312 1.00 22.15 H new ATOM 0 HD23 LEU A 52 -20.604 -0.851 -29.410 1.00 22.15 H new ATOM 882 N VAL A 53 -25.245 -2.200 -28.654 1.00 4.44 N ATOM 883 CA VAL A 53 -26.047 -3.207 -29.338 1.00 32.20 C ATOM 884 C VAL A 53 -25.647 -3.325 -30.804 1.00 75.23 C ATOM 885 O VAL A 53 -25.489 -2.330 -31.513 1.00 30.24 O ATOM 886 CB VAL A 53 -27.549 -2.882 -29.251 1.00 13.40 C ATOM 887 CG1 VAL A 53 -28.366 -3.931 -29.990 1.00 51.51 C ATOM 888 CG2 VAL A 53 -27.990 -2.778 -27.799 1.00 71.41 C ATOM 0 H VAL A 53 -25.565 -1.242 -28.792 1.00 4.44 H new ATOM 0 HA VAL A 53 -25.859 -4.156 -28.836 1.00 32.20 H new ATOM 0 HB VAL A 53 -27.721 -1.918 -29.729 1.00 13.40 H new ATOM 0 HG11 VAL A 53 -29.425 -3.685 -29.918 1.00 51.51 H new ATOM 0 HG12 VAL A 53 -28.069 -3.951 -31.039 1.00 51.51 H new ATOM 0 HG13 VAL A 53 -28.190 -4.910 -29.544 1.00 51.51 H new ATOM 0 HG21 VAL A 53 -29.055 -2.548 -27.758 1.00 71.41 H new ATOM 0 HG22 VAL A 53 -27.804 -3.726 -27.293 1.00 71.41 H new ATOM 0 HG23 VAL A 53 -27.428 -1.986 -27.304 1.00 71.41 H new ATOM 898 N PRO A 54 -25.479 -4.570 -31.273 1.00 73.31 N ATOM 899 CA PRO A 54 -25.096 -4.849 -32.660 1.00 54.13 C ATOM 900 C PRO A 54 -26.214 -4.523 -33.646 1.00 70.34 C ATOM 901 O PRO A 54 -27.391 -4.536 -33.291 1.00 1.20 O ATOM 902 CB PRO A 54 -24.810 -6.353 -32.654 1.00 75.14 C ATOM 903 CG PRO A 54 -25.622 -6.888 -31.525 1.00 73.34 C ATOM 904 CD PRO A 54 -25.651 -5.803 -30.485 1.00 11.00 C ATOM 0 HA PRO A 54 -24.249 -4.242 -32.979 1.00 54.13 H new ATOM 0 HB2 PRO A 54 -25.095 -6.814 -33.600 1.00 75.14 H new ATOM 0 HB3 PRO A 54 -23.749 -6.554 -32.508 1.00 75.14 H new ATOM 0 HG2 PRO A 54 -26.630 -7.140 -31.854 1.00 73.34 H new ATOM 0 HG3 PRO A 54 -25.180 -7.801 -31.125 1.00 73.34 H new ATOM 0 HD2 PRO A 54 -26.591 -5.800 -29.934 1.00 11.00 H new ATOM 0 HD3 PRO A 54 -24.853 -5.927 -29.753 1.00 11.00 H new ATOM 912 N ALA A 55 -25.836 -4.232 -34.886 1.00 45.34 N ATOM 913 CA ALA A 55 -26.806 -3.905 -35.924 1.00 5.20 C ATOM 914 C ALA A 55 -27.622 -5.131 -36.318 1.00 14.43 C ATOM 915 O ALA A 55 -28.506 -5.052 -37.171 1.00 74.20 O ATOM 916 CB ALA A 55 -26.101 -3.325 -37.142 1.00 64.43 C ATOM 0 H ALA A 55 -24.865 -4.216 -35.197 1.00 45.34 H new ATOM 0 HA ALA A 55 -27.491 -3.157 -35.524 1.00 5.20 H new ATOM 0 HB1 ALA A 55 -26.838 -3.086 -37.909 1.00 64.43 H new ATOM 0 HB2 ALA A 55 -25.567 -2.419 -36.856 1.00 64.43 H new ATOM 0 HB3 ALA A 55 -25.393 -4.055 -37.534 1.00 64.43 H new ATOM 922 N ASP A 56 -27.322 -6.262 -35.690 1.00 64.32 N ATOM 923 CA ASP A 56 -28.029 -7.506 -35.975 1.00 3.12 C ATOM 924 C ASP A 56 -28.919 -7.905 -34.801 1.00 64.53 C ATOM 925 O ASP A 56 -29.390 -9.041 -34.724 1.00 30.13 O ATOM 926 CB ASP A 56 -27.033 -8.625 -36.280 1.00 31.53 C ATOM 927 CG ASP A 56 -26.139 -8.944 -35.098 1.00 31.22 C ATOM 928 OD1 ASP A 56 -26.632 -9.564 -34.131 1.00 51.10 O ATOM 929 OD2 ASP A 56 -24.948 -8.575 -35.139 1.00 40.22 O ATOM 0 H ASP A 56 -26.594 -6.344 -34.980 1.00 64.32 H new ATOM 0 HA ASP A 56 -28.661 -7.345 -36.849 1.00 3.12 H new ATOM 0 HB2 ASP A 56 -27.578 -9.523 -36.572 1.00 31.53 H new ATOM 0 HB3 ASP A 56 -26.416 -8.336 -37.131 1.00 31.53 H new ATOM 934 N LEU A 57 -29.144 -6.966 -33.890 1.00 14.42 N ATOM 935 CA LEU A 57 -29.977 -7.219 -32.720 1.00 33.53 C ATOM 936 C LEU A 57 -31.417 -6.786 -32.971 1.00 73.31 C ATOM 937 O LEU A 57 -31.667 -5.747 -33.584 1.00 30.03 O ATOM 938 CB LEU A 57 -29.417 -6.483 -31.501 1.00 63.21 C ATOM 939 CG LEU A 57 -29.618 -7.171 -30.150 1.00 3.00 C ATOM 940 CD1 LEU A 57 -31.066 -7.050 -29.700 1.00 1.30 C ATOM 941 CD2 LEU A 57 -29.202 -8.633 -30.229 1.00 53.30 C ATOM 0 H LEU A 57 -28.761 -6.022 -33.939 1.00 14.42 H new ATOM 0 HA LEU A 57 -29.969 -8.291 -32.525 1.00 33.53 H new ATOM 0 HB2 LEU A 57 -28.348 -6.331 -31.653 1.00 63.21 H new ATOM 0 HB3 LEU A 57 -29.876 -5.496 -31.455 1.00 63.21 H new ATOM 0 HG LEU A 57 -28.987 -6.674 -29.413 1.00 3.00 H new ATOM 0 HD11 LEU A 57 -31.190 -7.545 -28.737 1.00 1.30 H new ATOM 0 HD12 LEU A 57 -31.330 -5.997 -29.603 1.00 1.30 H new ATOM 0 HD13 LEU A 57 -31.717 -7.521 -30.437 1.00 1.30 H new ATOM 0 HD21 LEU A 57 -29.352 -9.107 -29.259 1.00 53.30 H new ATOM 0 HD22 LEU A 57 -29.806 -9.143 -30.979 1.00 53.30 H new ATOM 0 HD23 LEU A 57 -28.150 -8.697 -30.506 1.00 53.30 H new ATOM 953 N THR A 58 -32.364 -7.587 -32.492 1.00 75.34 N ATOM 954 CA THR A 58 -33.780 -7.287 -32.665 1.00 71.13 C ATOM 955 C THR A 58 -34.378 -6.711 -31.388 1.00 12.13 C ATOM 956 O THR A 58 -33.892 -6.974 -30.288 1.00 72.31 O ATOM 957 CB THR A 58 -34.575 -8.542 -33.071 1.00 21.22 C ATOM 958 OG1 THR A 58 -34.511 -9.522 -32.027 1.00 54.54 O ATOM 959 CG2 THR A 58 -34.030 -9.134 -34.363 1.00 10.45 C ATOM 0 H THR A 58 -32.175 -8.449 -31.981 1.00 75.34 H new ATOM 0 HA THR A 58 -33.852 -6.548 -33.463 1.00 71.13 H new ATOM 0 HB THR A 58 -35.613 -8.251 -33.233 1.00 21.22 H new ATOM 0 HG1 THR A 58 -35.020 -10.316 -32.292 1.00 54.54 H new ATOM 0 HG21 THR A 58 -34.607 -10.019 -34.630 1.00 10.45 H new ATOM 0 HG22 THR A 58 -34.107 -8.397 -35.162 1.00 10.45 H new ATOM 0 HG23 THR A 58 -32.985 -9.411 -34.224 1.00 10.45 H new ATOM 967 N VAL A 59 -35.439 -5.923 -31.538 1.00 44.15 N ATOM 968 CA VAL A 59 -36.105 -5.310 -30.397 1.00 20.13 C ATOM 969 C VAL A 59 -36.440 -6.351 -29.333 1.00 51.32 C ATOM 970 O VAL A 59 -36.317 -6.091 -28.136 1.00 70.25 O ATOM 971 CB VAL A 59 -37.400 -4.592 -30.821 1.00 11.13 C ATOM 972 CG1 VAL A 59 -38.121 -4.030 -29.606 1.00 14.45 C ATOM 973 CG2 VAL A 59 -37.093 -3.492 -31.826 1.00 1.41 C ATOM 0 H VAL A 59 -35.855 -5.695 -32.441 1.00 44.15 H new ATOM 0 HA VAL A 59 -35.412 -4.578 -29.982 1.00 20.13 H new ATOM 0 HB VAL A 59 -38.058 -5.317 -31.300 1.00 11.13 H new ATOM 0 HG11 VAL A 59 -39.033 -3.526 -29.925 1.00 14.45 H new ATOM 0 HG12 VAL A 59 -38.374 -4.843 -28.925 1.00 14.45 H new ATOM 0 HG13 VAL A 59 -37.473 -3.318 -29.096 1.00 14.45 H new ATOM 0 HG21 VAL A 59 -38.019 -2.995 -32.115 1.00 1.41 H new ATOM 0 HG22 VAL A 59 -36.416 -2.766 -31.375 1.00 1.41 H new ATOM 0 HG23 VAL A 59 -36.623 -3.926 -32.709 1.00 1.41 H new ATOM 983 N GLY A 60 -36.863 -7.529 -29.778 1.00 75.22 N ATOM 984 CA GLY A 60 -37.208 -8.592 -28.852 1.00 50.12 C ATOM 985 C GLY A 60 -35.999 -9.140 -28.120 1.00 44.13 C ATOM 986 O GLY A 60 -36.035 -9.331 -26.905 1.00 42.22 O ATOM 0 H GLY A 60 -36.973 -7.767 -30.764 1.00 75.22 H new ATOM 0 HA2 GLY A 60 -37.929 -8.217 -28.126 1.00 50.12 H new ATOM 0 HA3 GLY A 60 -37.696 -9.400 -29.397 1.00 50.12 H new ATOM 990 N GLN A 61 -34.926 -9.394 -28.862 1.00 63.44 N ATOM 991 CA GLN A 61 -33.701 -9.926 -28.276 1.00 41.25 C ATOM 992 C GLN A 61 -33.092 -8.931 -27.293 1.00 71.21 C ATOM 993 O GLN A 61 -32.402 -9.319 -26.350 1.00 35.31 O ATOM 994 CB GLN A 61 -32.689 -10.259 -29.374 1.00 73.43 C ATOM 995 CG GLN A 61 -32.001 -11.601 -29.179 1.00 2.33 C ATOM 996 CD GLN A 61 -30.935 -11.868 -30.223 1.00 43.13 C ATOM 997 OE1 GLN A 61 -29.755 -12.011 -29.901 1.00 12.43 O ATOM 998 NE2 GLN A 61 -31.346 -11.937 -31.484 1.00 54.12 N ATOM 0 H GLN A 61 -34.880 -9.240 -29.869 1.00 63.44 H new ATOM 0 HA GLN A 61 -33.953 -10.838 -27.734 1.00 41.25 H new ATOM 0 HB2 GLN A 61 -33.197 -10.257 -30.338 1.00 73.43 H new ATOM 0 HB3 GLN A 61 -31.933 -9.474 -29.411 1.00 73.43 H new ATOM 0 HG2 GLN A 61 -31.549 -11.632 -28.188 1.00 2.33 H new ATOM 0 HG3 GLN A 61 -32.746 -12.396 -29.215 1.00 2.33 H new ATOM 0 HE21 GLN A 61 -32.334 -11.812 -31.706 1.00 54.12 H new ATOM 0 HE22 GLN A 61 -30.674 -12.115 -32.230 1.00 54.12 H new ATOM 1007 N PHE A 62 -33.352 -7.648 -27.519 1.00 54.44 N ATOM 1008 CA PHE A 62 -32.829 -6.598 -26.653 1.00 40.44 C ATOM 1009 C PHE A 62 -33.646 -6.495 -25.369 1.00 1.44 C ATOM 1010 O PHE A 62 -33.094 -6.475 -24.268 1.00 42.04 O ATOM 1011 CB PHE A 62 -32.835 -5.254 -27.385 1.00 3.12 C ATOM 1012 CG PHE A 62 -32.497 -4.089 -26.500 1.00 14.21 C ATOM 1013 CD1 PHE A 62 -31.463 -4.175 -25.582 1.00 33.40 C ATOM 1014 CD2 PHE A 62 -33.212 -2.905 -26.587 1.00 53.21 C ATOM 1015 CE1 PHE A 62 -31.151 -3.104 -24.766 1.00 72.40 C ATOM 1016 CE2 PHE A 62 -32.904 -1.831 -25.774 1.00 53.20 C ATOM 1017 CZ PHE A 62 -31.872 -1.931 -24.863 1.00 43.32 C ATOM 0 H PHE A 62 -33.922 -7.310 -28.295 1.00 54.44 H new ATOM 0 HA PHE A 62 -31.803 -6.856 -26.390 1.00 40.44 H new ATOM 0 HB2 PHE A 62 -32.121 -5.294 -28.208 1.00 3.12 H new ATOM 0 HB3 PHE A 62 -33.819 -5.093 -27.824 1.00 3.12 H new ATOM 0 HD1 PHE A 62 -30.894 -5.090 -25.503 1.00 33.40 H new ATOM 0 HD2 PHE A 62 -34.020 -2.821 -27.299 1.00 53.21 H new ATOM 0 HE1 PHE A 62 -30.344 -3.185 -24.053 1.00 72.40 H new ATOM 0 HE2 PHE A 62 -33.470 -0.914 -25.851 1.00 53.20 H new ATOM 0 HZ PHE A 62 -31.629 -1.093 -24.227 1.00 43.32 H new ATOM 1027 N VAL A 63 -34.965 -6.428 -25.518 1.00 23.13 N ATOM 1028 CA VAL A 63 -35.859 -6.327 -24.370 1.00 61.11 C ATOM 1029 C VAL A 63 -35.727 -7.543 -23.461 1.00 53.35 C ATOM 1030 O VAL A 63 -35.830 -7.433 -22.240 1.00 14.45 O ATOM 1031 CB VAL A 63 -37.328 -6.188 -24.814 1.00 71.44 C ATOM 1032 CG1 VAL A 63 -38.246 -6.105 -23.604 1.00 65.25 C ATOM 1033 CG2 VAL A 63 -37.501 -4.971 -25.710 1.00 70.35 C ATOM 0 H VAL A 63 -35.438 -6.442 -26.422 1.00 23.13 H new ATOM 0 HA VAL A 63 -35.567 -5.433 -23.819 1.00 61.11 H new ATOM 0 HB VAL A 63 -37.602 -7.074 -25.387 1.00 71.44 H new ATOM 0 HG11 VAL A 63 -39.279 -6.007 -23.937 1.00 65.25 H new ATOM 0 HG12 VAL A 63 -38.142 -7.010 -23.006 1.00 65.25 H new ATOM 0 HG13 VAL A 63 -37.976 -5.238 -23.001 1.00 65.25 H new ATOM 0 HG21 VAL A 63 -38.544 -4.888 -26.014 1.00 70.35 H new ATOM 0 HG22 VAL A 63 -37.210 -4.073 -25.165 1.00 70.35 H new ATOM 0 HG23 VAL A 63 -36.873 -5.078 -26.594 1.00 70.35 H new ATOM 1043 N TYR A 64 -35.497 -8.704 -24.065 1.00 5.41 N ATOM 1044 CA TYR A 64 -35.351 -9.943 -23.311 1.00 14.14 C ATOM 1045 C TYR A 64 -34.023 -9.973 -22.562 1.00 65.25 C ATOM 1046 O TYR A 64 -33.909 -10.581 -21.499 1.00 20.10 O ATOM 1047 CB TYR A 64 -35.451 -11.149 -24.246 1.00 71.22 C ATOM 1048 CG TYR A 64 -36.859 -11.675 -24.408 1.00 60.53 C ATOM 1049 CD1 TYR A 64 -37.615 -12.045 -23.302 1.00 22.42 C ATOM 1050 CD2 TYR A 64 -37.432 -11.806 -25.667 1.00 70.22 C ATOM 1051 CE1 TYR A 64 -38.901 -12.527 -23.445 1.00 71.20 C ATOM 1052 CE2 TYR A 64 -38.719 -12.286 -25.819 1.00 63.13 C ATOM 1053 CZ TYR A 64 -39.449 -12.646 -24.705 1.00 42.31 C ATOM 1054 OH TYR A 64 -40.729 -13.126 -24.853 1.00 53.21 O ATOM 0 H TYR A 64 -35.408 -8.812 -25.075 1.00 5.41 H new ATOM 0 HA TYR A 64 -36.159 -9.991 -22.581 1.00 14.14 H new ATOM 0 HB2 TYR A 64 -35.061 -10.872 -25.225 1.00 71.22 H new ATOM 0 HB3 TYR A 64 -34.815 -11.948 -23.864 1.00 71.22 H new ATOM 0 HD1 TYR A 64 -37.189 -11.954 -22.314 1.00 22.42 H new ATOM 0 HD2 TYR A 64 -36.862 -11.528 -26.541 1.00 70.22 H new ATOM 0 HE1 TYR A 64 -39.475 -12.809 -22.575 1.00 71.20 H new ATOM 0 HE2 TYR A 64 -39.151 -12.379 -26.804 1.00 63.13 H new ATOM 0 HH TYR A 64 -40.963 -13.146 -25.804 1.00 53.21 H new ATOM 1064 N VAL A 65 -33.018 -9.310 -23.127 1.00 23.11 N ATOM 1065 CA VAL A 65 -31.696 -9.258 -22.515 1.00 61.00 C ATOM 1066 C VAL A 65 -31.663 -8.258 -21.364 1.00 41.42 C ATOM 1067 O VAL A 65 -30.961 -8.460 -20.373 1.00 65.41 O ATOM 1068 CB VAL A 65 -30.615 -8.876 -23.543 1.00 53.15 C ATOM 1069 CG1 VAL A 65 -29.379 -8.334 -22.843 1.00 3.31 C ATOM 1070 CG2 VAL A 65 -30.263 -10.072 -24.415 1.00 34.55 C ATOM 0 H VAL A 65 -33.095 -8.802 -24.008 1.00 23.11 H new ATOM 0 HA VAL A 65 -31.485 -10.257 -22.132 1.00 61.00 H new ATOM 0 HB VAL A 65 -31.012 -8.090 -24.186 1.00 53.15 H new ATOM 0 HG11 VAL A 65 -28.627 -8.070 -23.586 1.00 3.31 H new ATOM 0 HG12 VAL A 65 -29.646 -7.448 -22.266 1.00 3.31 H new ATOM 0 HG13 VAL A 65 -28.977 -9.095 -22.174 1.00 3.31 H new ATOM 0 HG21 VAL A 65 -29.498 -9.784 -25.136 1.00 34.55 H new ATOM 0 HG22 VAL A 65 -29.886 -10.880 -23.789 1.00 34.55 H new ATOM 0 HG23 VAL A 65 -31.153 -10.409 -24.946 1.00 34.55 H new ATOM 1080 N ILE A 66 -32.427 -7.180 -21.502 1.00 74.31 N ATOM 1081 CA ILE A 66 -32.486 -6.149 -20.473 1.00 40.23 C ATOM 1082 C ILE A 66 -32.938 -6.731 -19.138 1.00 40.21 C ATOM 1083 O ILE A 66 -32.352 -6.444 -18.094 1.00 70.33 O ATOM 1084 CB ILE A 66 -33.440 -5.008 -20.872 1.00 51.14 C ATOM 1085 CG1 ILE A 66 -32.814 -4.154 -21.977 1.00 72.23 C ATOM 1086 CG2 ILE A 66 -33.779 -4.153 -19.662 1.00 11.24 C ATOM 1087 CD1 ILE A 66 -31.628 -3.340 -21.512 1.00 45.22 C ATOM 0 H ILE A 66 -33.014 -6.998 -22.316 1.00 74.31 H new ATOM 0 HA ILE A 66 -31.478 -5.748 -20.370 1.00 40.23 H new ATOM 0 HB ILE A 66 -34.363 -5.443 -21.254 1.00 51.14 H new ATOM 0 HG12 ILE A 66 -32.500 -4.804 -22.794 1.00 72.23 H new ATOM 0 HG13 ILE A 66 -33.572 -3.481 -22.378 1.00 72.23 H new ATOM 0 HG21 ILE A 66 -34.454 -3.351 -19.961 1.00 11.24 H new ATOM 0 HG22 ILE A 66 -34.262 -4.770 -18.904 1.00 11.24 H new ATOM 0 HG23 ILE A 66 -32.865 -3.724 -19.252 1.00 11.24 H new ATOM 0 HD11 ILE A 66 -31.235 -2.760 -22.347 1.00 45.22 H new ATOM 0 HD12 ILE A 66 -31.940 -2.664 -20.716 1.00 45.22 H new ATOM 0 HD13 ILE A 66 -30.852 -4.008 -21.138 1.00 45.22 H new ATOM 1099 N ARG A 67 -33.984 -7.550 -19.180 1.00 20.53 N ATOM 1100 CA ARG A 67 -34.514 -8.174 -17.973 1.00 12.53 C ATOM 1101 C ARG A 67 -33.395 -8.806 -17.150 1.00 54.21 C ATOM 1102 O ARG A 67 -33.455 -8.836 -15.921 1.00 21.33 O ATOM 1103 CB ARG A 67 -35.557 -9.232 -18.336 1.00 10.22 C ATOM 1104 CG ARG A 67 -34.953 -10.544 -18.810 1.00 63.14 C ATOM 1105 CD ARG A 67 -34.778 -11.524 -17.662 1.00 34.44 C ATOM 1106 NE ARG A 67 -35.934 -12.405 -17.513 1.00 42.24 N ATOM 1107 CZ ARG A 67 -35.902 -13.554 -16.847 1.00 1.40 C ATOM 1108 NH1 ARG A 67 -34.779 -13.958 -16.271 1.00 21.41 N ATOM 1109 NH2 ARG A 67 -36.996 -14.300 -16.757 1.00 63.45 N ATOM 0 H ARG A 67 -34.481 -7.797 -20.036 1.00 20.53 H new ATOM 0 HA ARG A 67 -34.988 -7.398 -17.372 1.00 12.53 H new ATOM 0 HB2 ARG A 67 -36.185 -9.424 -17.466 1.00 10.22 H new ATOM 0 HB3 ARG A 67 -36.206 -8.837 -19.117 1.00 10.22 H new ATOM 0 HG2 ARG A 67 -35.594 -10.986 -19.573 1.00 63.14 H new ATOM 0 HG3 ARG A 67 -33.987 -10.353 -19.277 1.00 63.14 H new ATOM 0 HD2 ARG A 67 -33.884 -12.124 -17.831 1.00 34.44 H new ATOM 0 HD3 ARG A 67 -34.621 -10.972 -16.735 1.00 34.44 H new ATOM 0 HE ARG A 67 -36.814 -12.122 -17.944 1.00 42.24 H new ATOM 0 HH11 ARG A 67 -33.937 -13.386 -16.338 1.00 21.41 H new ATOM 0 HH12 ARG A 67 -34.757 -14.841 -15.760 1.00 21.41 H new ATOM 0 HH21 ARG A 67 -37.862 -13.991 -17.199 1.00 63.45 H new ATOM 0 HH22 ARG A 67 -36.971 -15.182 -16.246 1.00 63.45 H new ATOM 1123 N LYS A 68 -32.377 -9.312 -17.837 1.00 42.23 N ATOM 1124 CA LYS A 68 -31.244 -9.944 -17.173 1.00 12.33 C ATOM 1125 C LYS A 68 -30.401 -8.910 -16.434 1.00 2.12 C ATOM 1126 O LYS A 68 -30.211 -9.001 -15.220 1.00 60.02 O ATOM 1127 CB LYS A 68 -30.379 -10.689 -18.192 1.00 31.32 C ATOM 1128 CG LYS A 68 -29.375 -11.638 -17.559 1.00 50.51 C ATOM 1129 CD LYS A 68 -28.299 -12.051 -18.548 1.00 40.44 C ATOM 1130 CE LYS A 68 -27.204 -12.863 -17.875 1.00 31.53 C ATOM 1131 NZ LYS A 68 -27.641 -14.260 -17.597 1.00 12.23 N ATOM 0 H LYS A 68 -32.314 -9.297 -18.855 1.00 42.23 H new ATOM 0 HA LYS A 68 -31.633 -10.657 -16.446 1.00 12.33 H new ATOM 0 HB2 LYS A 68 -31.027 -11.253 -18.863 1.00 31.32 H new ATOM 0 HB3 LYS A 68 -29.844 -9.962 -18.803 1.00 31.32 H new ATOM 0 HG2 LYS A 68 -28.913 -11.158 -16.696 1.00 50.51 H new ATOM 0 HG3 LYS A 68 -29.892 -12.524 -17.191 1.00 50.51 H new ATOM 0 HD2 LYS A 68 -28.747 -12.637 -19.350 1.00 40.44 H new ATOM 0 HD3 LYS A 68 -27.865 -11.163 -19.006 1.00 40.44 H new ATOM 0 HE2 LYS A 68 -26.320 -12.879 -18.512 1.00 31.53 H new ATOM 0 HE3 LYS A 68 -26.915 -12.380 -16.941 1.00 31.53 H new ATOM 0 HZ1 LYS A 68 -26.867 -14.781 -17.138 1.00 12.23 H new ATOM 0 HZ2 LYS A 68 -28.469 -14.246 -16.968 1.00 12.23 H new ATOM 0 HZ3 LYS A 68 -27.892 -14.729 -18.490 1.00 12.23 H new ATOM 1145 N ARG A 69 -29.898 -7.926 -17.172 1.00 73.54 N ATOM 1146 CA ARG A 69 -29.075 -6.875 -16.587 1.00 1.11 C ATOM 1147 C ARG A 69 -29.772 -6.245 -15.384 1.00 60.12 C ATOM 1148 O ARG A 69 -29.160 -6.040 -14.336 1.00 73.54 O ATOM 1149 CB ARG A 69 -28.764 -5.801 -17.631 1.00 4.45 C ATOM 1150 CG ARG A 69 -27.280 -5.648 -17.924 1.00 41.22 C ATOM 1151 CD ARG A 69 -26.886 -6.385 -19.194 1.00 2.11 C ATOM 1152 NE ARG A 69 -26.373 -7.724 -18.914 1.00 13.13 N ATOM 1153 CZ ARG A 69 -25.679 -8.443 -19.788 1.00 2.05 C ATOM 1154 NH1 ARG A 69 -25.414 -7.955 -20.991 1.00 63.14 N ATOM 1155 NH2 ARG A 69 -25.247 -9.654 -19.457 1.00 65.11 N ATOM 0 H ARG A 69 -30.046 -7.835 -18.177 1.00 73.54 H new ATOM 0 HA ARG A 69 -28.141 -7.324 -16.249 1.00 1.11 H new ATOM 0 HB2 ARG A 69 -29.285 -6.044 -18.557 1.00 4.45 H new ATOM 0 HB3 ARG A 69 -29.158 -4.845 -17.285 1.00 4.45 H new ATOM 0 HG2 ARG A 69 -27.035 -4.591 -18.024 1.00 41.22 H new ATOM 0 HG3 ARG A 69 -26.700 -6.032 -17.084 1.00 41.22 H new ATOM 0 HD2 ARG A 69 -27.751 -6.459 -19.853 1.00 2.11 H new ATOM 0 HD3 ARG A 69 -26.128 -5.810 -19.726 1.00 2.11 H new ATOM 0 HE ARG A 69 -26.558 -8.129 -17.996 1.00 13.13 H new ATOM 0 HH11 ARG A 69 -25.743 -7.024 -21.248 1.00 63.14 H new ATOM 0 HH12 ARG A 69 -24.881 -8.510 -21.660 1.00 63.14 H new ATOM 0 HH21 ARG A 69 -25.448 -10.032 -18.531 1.00 65.11 H new ATOM 0 HH22 ARG A 69 -24.714 -10.206 -20.128 1.00 65.11 H new ATOM 1169 N ILE A 70 -31.056 -5.939 -15.545 1.00 25.10 N ATOM 1170 CA ILE A 70 -31.835 -5.333 -14.473 1.00 43.51 C ATOM 1171 C ILE A 70 -32.257 -6.375 -13.444 1.00 11.22 C ATOM 1172 O ILE A 70 -32.666 -6.036 -12.333 1.00 51.45 O ATOM 1173 CB ILE A 70 -33.091 -4.629 -15.019 1.00 72.35 C ATOM 1174 CG1 ILE A 70 -32.712 -3.656 -16.137 1.00 41.04 C ATOM 1175 CG2 ILE A 70 -33.820 -3.901 -13.900 1.00 10.24 C ATOM 1176 CD1 ILE A 70 -33.896 -2.919 -16.724 1.00 61.44 C ATOM 0 H ILE A 70 -31.577 -6.101 -16.407 1.00 25.10 H new ATOM 0 HA ILE A 70 -31.193 -4.593 -13.995 1.00 43.51 H new ATOM 0 HB ILE A 70 -33.761 -5.383 -15.431 1.00 72.35 H new ATOM 0 HG12 ILE A 70 -31.998 -2.929 -15.749 1.00 41.04 H new ATOM 0 HG13 ILE A 70 -32.207 -4.206 -16.931 1.00 41.04 H new ATOM 0 HG21 ILE A 70 -34.705 -3.409 -14.302 1.00 10.24 H new ATOM 0 HG22 ILE A 70 -34.119 -4.617 -13.135 1.00 10.24 H new ATOM 0 HG23 ILE A 70 -33.158 -3.155 -13.460 1.00 10.24 H new ATOM 0 HD11 ILE A 70 -33.553 -2.247 -17.511 1.00 61.44 H new ATOM 0 HD12 ILE A 70 -34.601 -3.638 -17.143 1.00 61.44 H new ATOM 0 HD13 ILE A 70 -34.389 -2.341 -15.942 1.00 61.44 H new ATOM 1188 N MET A 71 -32.153 -7.646 -13.819 1.00 34.00 N ATOM 1189 CA MET A 71 -32.522 -8.739 -12.926 1.00 0.40 C ATOM 1190 C MET A 71 -33.989 -8.641 -12.524 1.00 12.35 C ATOM 1191 O MET A 71 -34.388 -9.131 -11.466 1.00 40.30 O ATOM 1192 CB MET A 71 -31.637 -8.727 -11.678 1.00 63.23 C ATOM 1193 CG MET A 71 -30.194 -8.341 -11.961 1.00 31.41 C ATOM 1194 SD MET A 71 -29.115 -8.597 -10.538 1.00 41.41 S ATOM 1195 CE MET A 71 -28.058 -9.909 -11.146 1.00 54.31 C ATOM 0 H MET A 71 -31.817 -7.944 -14.734 1.00 34.00 H new ATOM 0 HA MET A 71 -32.372 -9.677 -13.460 1.00 0.40 H new ATOM 0 HB2 MET A 71 -32.056 -8.030 -10.952 1.00 63.23 H new ATOM 0 HB3 MET A 71 -31.657 -9.715 -11.219 1.00 63.23 H new ATOM 0 HG2 MET A 71 -29.824 -8.926 -12.803 1.00 31.41 H new ATOM 0 HG3 MET A 71 -30.154 -7.293 -12.259 1.00 31.41 H new ATOM 0 HE1 MET A 71 -27.334 -10.179 -10.377 1.00 54.31 H new ATOM 0 HE2 MET A 71 -28.665 -10.779 -11.395 1.00 54.31 H new ATOM 0 HE3 MET A 71 -27.531 -9.568 -12.037 1.00 54.31 H new ATOM 1205 N LEU A 72 -34.790 -8.004 -13.371 1.00 42.21 N ATOM 1206 CA LEU A 72 -36.215 -7.841 -13.103 1.00 43.25 C ATOM 1207 C LEU A 72 -36.870 -9.186 -12.806 1.00 64.02 C ATOM 1208 O LEU A 72 -36.847 -10.109 -13.621 1.00 72.04 O ATOM 1209 CB LEU A 72 -36.905 -7.177 -14.295 1.00 52.54 C ATOM 1210 CG LEU A 72 -38.157 -6.359 -13.976 1.00 41.21 C ATOM 1211 CD1 LEU A 72 -39.290 -7.271 -13.530 1.00 31.11 C ATOM 1212 CD2 LEU A 72 -37.856 -5.318 -12.908 1.00 70.23 C ATOM 0 H LEU A 72 -34.477 -7.592 -14.250 1.00 42.21 H new ATOM 0 HA LEU A 72 -36.324 -7.203 -12.226 1.00 43.25 H new ATOM 0 HB2 LEU A 72 -36.185 -6.524 -14.789 1.00 52.54 H new ATOM 0 HB3 LEU A 72 -37.175 -7.953 -15.011 1.00 52.54 H new ATOM 0 HG LEU A 72 -38.470 -5.840 -14.882 1.00 41.21 H new ATOM 0 HD11 LEU A 72 -40.173 -6.672 -13.307 1.00 31.11 H new ATOM 0 HD12 LEU A 72 -39.523 -7.978 -14.326 1.00 31.11 H new ATOM 0 HD13 LEU A 72 -38.987 -7.817 -12.637 1.00 31.11 H new ATOM 0 HD21 LEU A 72 -38.758 -4.745 -12.694 1.00 70.23 H new ATOM 0 HD22 LEU A 72 -37.518 -5.816 -11.999 1.00 70.23 H new ATOM 0 HD23 LEU A 72 -37.076 -4.646 -13.265 1.00 70.23 H new ATOM 1224 N PRO A 73 -37.471 -9.301 -11.612 1.00 53.45 N ATOM 1225 CA PRO A 73 -38.147 -10.528 -11.182 1.00 32.42 C ATOM 1226 C PRO A 73 -39.431 -10.787 -11.963 1.00 61.30 C ATOM 1227 O PRO A 73 -39.931 -9.926 -12.687 1.00 32.52 O ATOM 1228 CB PRO A 73 -38.463 -10.260 -9.708 1.00 4.10 C ATOM 1229 CG PRO A 73 -38.532 -8.776 -9.599 1.00 62.02 C ATOM 1230 CD PRO A 73 -37.537 -8.241 -10.592 1.00 72.22 C ATOM 0 HA PRO A 73 -37.531 -11.412 -11.347 1.00 32.42 H new ATOM 0 HB2 PRO A 73 -39.405 -10.723 -9.415 1.00 4.10 H new ATOM 0 HB3 PRO A 73 -37.691 -10.669 -9.057 1.00 4.10 H new ATOM 0 HG2 PRO A 73 -39.536 -8.415 -9.820 1.00 62.02 H new ATOM 0 HG3 PRO A 73 -38.290 -8.447 -8.588 1.00 62.02 H new ATOM 0 HD2 PRO A 73 -37.865 -7.293 -11.018 1.00 72.22 H new ATOM 0 HD3 PRO A 73 -36.565 -8.065 -10.132 1.00 72.22 H new ATOM 1238 N PRO A 74 -39.978 -12.003 -11.815 1.00 52.04 N ATOM 1239 CA PRO A 74 -41.212 -12.403 -12.498 1.00 21.51 C ATOM 1240 C PRO A 74 -42.437 -11.678 -11.956 1.00 11.45 C ATOM 1241 O PRO A 74 -43.531 -11.787 -12.509 1.00 44.30 O ATOM 1242 CB PRO A 74 -41.307 -13.904 -12.208 1.00 5.43 C ATOM 1243 CG PRO A 74 -40.546 -14.093 -10.941 1.00 32.02 C ATOM 1244 CD PRO A 74 -39.437 -13.079 -10.969 1.00 22.33 C ATOM 0 HA PRO A 74 -41.186 -12.160 -13.560 1.00 21.51 H new ATOM 0 HB2 PRO A 74 -42.344 -14.221 -12.098 1.00 5.43 H new ATOM 0 HB3 PRO A 74 -40.878 -14.492 -13.019 1.00 5.43 H new ATOM 0 HG2 PRO A 74 -41.189 -13.944 -10.074 1.00 32.02 H new ATOM 0 HG3 PRO A 74 -40.148 -15.105 -10.872 1.00 32.02 H new ATOM 0 HD2 PRO A 74 -39.196 -12.720 -9.968 1.00 22.33 H new ATOM 0 HD3 PRO A 74 -38.521 -13.497 -11.387 1.00 22.33 H new ATOM 1252 N GLU A 75 -42.247 -10.935 -10.869 1.00 35.50 N ATOM 1253 CA GLU A 75 -43.339 -10.191 -10.252 1.00 33.25 C ATOM 1254 C GLU A 75 -43.810 -9.061 -11.163 1.00 21.43 C ATOM 1255 O GLU A 75 -44.985 -8.695 -11.160 1.00 54.11 O ATOM 1256 CB GLU A 75 -42.899 -9.622 -8.901 1.00 72.34 C ATOM 1257 CG GLU A 75 -42.042 -8.373 -9.016 1.00 72.13 C ATOM 1258 CD GLU A 75 -41.068 -8.225 -7.863 1.00 51.41 C ATOM 1259 OE1 GLU A 75 -41.088 -9.084 -6.957 1.00 45.32 O ATOM 1260 OE2 GLU A 75 -40.288 -7.251 -7.867 1.00 25.11 O ATOM 0 H GLU A 75 -41.348 -10.833 -10.398 1.00 35.50 H new ATOM 0 HA GLU A 75 -44.170 -10.879 -10.095 1.00 33.25 H new ATOM 0 HB2 GLU A 75 -43.784 -9.392 -8.308 1.00 72.34 H new ATOM 0 HB3 GLU A 75 -42.342 -10.386 -8.359 1.00 72.34 H new ATOM 0 HG2 GLU A 75 -41.487 -8.403 -9.954 1.00 72.13 H new ATOM 0 HG3 GLU A 75 -42.688 -7.496 -9.056 1.00 72.13 H new ATOM 1267 N LYS A 76 -42.884 -8.510 -11.940 1.00 32.54 N ATOM 1268 CA LYS A 76 -43.202 -7.422 -12.856 1.00 74.34 C ATOM 1269 C LYS A 76 -42.554 -7.651 -14.218 1.00 2.35 C ATOM 1270 O LYS A 76 -41.741 -8.560 -14.384 1.00 12.13 O ATOM 1271 CB LYS A 76 -42.735 -6.085 -12.275 1.00 72.40 C ATOM 1272 CG LYS A 76 -43.569 -5.609 -11.099 1.00 60.21 C ATOM 1273 CD LYS A 76 -43.945 -4.144 -11.240 1.00 12.22 C ATOM 1274 CE LYS A 76 -44.592 -3.609 -9.971 1.00 73.51 C ATOM 1275 NZ LYS A 76 -43.705 -3.772 -8.785 1.00 75.25 N ATOM 0 H LYS A 76 -41.906 -8.800 -11.953 1.00 32.54 H new ATOM 0 HA LYS A 76 -44.284 -7.395 -12.988 1.00 74.34 H new ATOM 0 HB2 LYS A 76 -41.696 -6.179 -11.959 1.00 72.40 H new ATOM 0 HB3 LYS A 76 -42.762 -5.328 -13.059 1.00 72.40 H new ATOM 0 HG2 LYS A 76 -44.474 -6.212 -11.025 1.00 60.21 H new ATOM 0 HG3 LYS A 76 -43.012 -5.755 -10.174 1.00 60.21 H new ATOM 0 HD2 LYS A 76 -43.054 -3.559 -11.470 1.00 12.22 H new ATOM 0 HD3 LYS A 76 -44.631 -4.023 -12.078 1.00 12.22 H new ATOM 0 HE2 LYS A 76 -44.832 -2.554 -10.103 1.00 73.51 H new ATOM 0 HE3 LYS A 76 -45.533 -4.131 -9.795 1.00 73.51 H new ATOM 0 HZ1 LYS A 76 -43.731 -2.905 -8.211 1.00 75.25 H new ATOM 0 HZ2 LYS A 76 -44.034 -4.576 -8.213 1.00 75.25 H new ATOM 0 HZ3 LYS A 76 -42.730 -3.948 -9.102 1.00 75.25 H new ATOM 1289 N ALA A 77 -42.917 -6.819 -15.188 1.00 51.01 N ATOM 1290 CA ALA A 77 -42.368 -6.929 -16.534 1.00 71.41 C ATOM 1291 C ALA A 77 -41.562 -5.688 -16.902 1.00 10.31 C ATOM 1292 O ALA A 77 -41.262 -4.855 -16.045 1.00 13.23 O ATOM 1293 CB ALA A 77 -43.485 -7.153 -17.543 1.00 1.33 C ATOM 0 H ALA A 77 -43.589 -6.061 -15.067 1.00 51.01 H new ATOM 0 HA ALA A 77 -41.695 -7.787 -16.556 1.00 71.41 H new ATOM 0 HB1 ALA A 77 -43.061 -7.233 -18.544 1.00 1.33 H new ATOM 0 HB2 ALA A 77 -44.016 -8.073 -17.299 1.00 1.33 H new ATOM 0 HB3 ALA A 77 -44.179 -6.313 -17.510 1.00 1.33 H new ATOM 1299 N ILE A 78 -41.214 -5.571 -18.179 1.00 10.34 N ATOM 1300 CA ILE A 78 -40.443 -4.430 -18.658 1.00 64.31 C ATOM 1301 C ILE A 78 -40.307 -4.457 -20.176 1.00 60.35 C ATOM 1302 O ILE A 78 -40.376 -5.518 -20.797 1.00 61.31 O ATOM 1303 CB ILE A 78 -39.038 -4.397 -18.029 1.00 24.03 C ATOM 1304 CG1 ILE A 78 -38.362 -3.052 -18.307 1.00 10.24 C ATOM 1305 CG2 ILE A 78 -38.191 -5.542 -18.563 1.00 24.21 C ATOM 1306 CD1 ILE A 78 -37.062 -2.862 -17.558 1.00 34.22 C ATOM 0 H ILE A 78 -41.453 -6.252 -18.900 1.00 10.34 H new ATOM 0 HA ILE A 78 -40.987 -3.534 -18.360 1.00 64.31 H new ATOM 0 HB ILE A 78 -39.137 -4.517 -16.950 1.00 24.03 H new ATOM 0 HG12 ILE A 78 -38.172 -2.965 -19.377 1.00 10.24 H new ATOM 0 HG13 ILE A 78 -39.047 -2.248 -18.039 1.00 10.24 H new ATOM 0 HG21 ILE A 78 -37.201 -5.505 -18.109 1.00 24.21 H new ATOM 0 HG22 ILE A 78 -38.667 -6.492 -18.318 1.00 24.21 H new ATOM 0 HG23 ILE A 78 -38.097 -5.451 -19.645 1.00 24.21 H new ATOM 0 HD11 ILE A 78 -36.640 -1.888 -17.804 1.00 34.22 H new ATOM 0 HD12 ILE A 78 -37.249 -2.917 -16.485 1.00 34.22 H new ATOM 0 HD13 ILE A 78 -36.359 -3.645 -17.844 1.00 34.22 H new ATOM 1318 N PHE A 79 -40.112 -3.285 -20.769 1.00 3.41 N ATOM 1319 CA PHE A 79 -39.965 -3.173 -22.215 1.00 54.45 C ATOM 1320 C PHE A 79 -39.261 -1.873 -22.592 1.00 70.24 C ATOM 1321 O PHE A 79 -39.545 -0.815 -22.030 1.00 32.52 O ATOM 1322 CB PHE A 79 -41.334 -3.239 -22.895 1.00 72.12 C ATOM 1323 CG PHE A 79 -42.443 -2.652 -22.069 1.00 0.21 C ATOM 1324 CD1 PHE A 79 -43.119 -3.428 -21.141 1.00 2.42 C ATOM 1325 CD2 PHE A 79 -42.809 -1.325 -22.220 1.00 44.21 C ATOM 1326 CE1 PHE A 79 -44.139 -2.890 -20.379 1.00 2.24 C ATOM 1327 CE2 PHE A 79 -43.828 -0.782 -21.461 1.00 0.32 C ATOM 1328 CZ PHE A 79 -44.495 -1.565 -20.539 1.00 45.14 C ATOM 0 H PHE A 79 -40.052 -2.398 -20.270 1.00 3.41 H new ATOM 0 HA PHE A 79 -39.355 -4.009 -22.558 1.00 54.45 H new ATOM 0 HB2 PHE A 79 -41.283 -2.712 -23.848 1.00 72.12 H new ATOM 0 HB3 PHE A 79 -41.570 -4.279 -23.119 1.00 72.12 H new ATOM 0 HD1 PHE A 79 -42.846 -4.465 -21.012 1.00 2.42 H new ATOM 0 HD2 PHE A 79 -42.292 -0.707 -22.939 1.00 44.21 H new ATOM 0 HE1 PHE A 79 -44.657 -3.505 -19.659 1.00 2.24 H new ATOM 0 HE2 PHE A 79 -44.103 0.255 -21.589 1.00 0.32 H new ATOM 0 HZ PHE A 79 -45.292 -1.143 -19.945 1.00 45.14 H new ATOM 1338 N ILE A 80 -38.340 -1.962 -23.547 1.00 2.34 N ATOM 1339 CA ILE A 80 -37.595 -0.793 -23.999 1.00 73.23 C ATOM 1340 C ILE A 80 -38.268 -0.144 -25.204 1.00 35.12 C ATOM 1341 O ILE A 80 -38.597 -0.816 -26.182 1.00 72.50 O ATOM 1342 CB ILE A 80 -36.146 -1.159 -24.371 1.00 21.51 C ATOM 1343 CG1 ILE A 80 -35.660 -2.335 -23.521 1.00 63.13 C ATOM 1344 CG2 ILE A 80 -35.233 0.044 -24.191 1.00 54.45 C ATOM 1345 CD1 ILE A 80 -35.729 -2.074 -22.032 1.00 52.22 C ATOM 0 H ILE A 80 -38.092 -2.830 -24.022 1.00 2.34 H new ATOM 0 HA ILE A 80 -37.582 -0.087 -23.169 1.00 73.23 H new ATOM 0 HB ILE A 80 -36.120 -1.457 -25.419 1.00 21.51 H new ATOM 0 HG12 ILE A 80 -36.260 -3.215 -23.756 1.00 63.13 H new ATOM 0 HG13 ILE A 80 -34.631 -2.569 -23.793 1.00 63.13 H new ATOM 0 HG21 ILE A 80 -34.212 -0.231 -24.458 1.00 54.45 H new ATOM 0 HG22 ILE A 80 -35.570 0.856 -24.835 1.00 54.45 H new ATOM 0 HG23 ILE A 80 -35.261 0.370 -23.151 1.00 54.45 H new ATOM 0 HD11 ILE A 80 -35.369 -2.950 -21.492 1.00 52.22 H new ATOM 0 HD12 ILE A 80 -35.107 -1.214 -21.784 1.00 52.22 H new ATOM 0 HD13 ILE A 80 -36.761 -1.870 -21.746 1.00 52.22 H new ATOM 1357 N PHE A 81 -38.471 1.167 -25.126 1.00 61.31 N ATOM 1358 CA PHE A 81 -39.104 1.908 -26.211 1.00 21.20 C ATOM 1359 C PHE A 81 -38.208 3.046 -26.688 1.00 44.22 C ATOM 1360 O PHE A 81 -37.296 3.473 -25.979 1.00 1.13 O ATOM 1361 CB PHE A 81 -40.455 2.464 -25.755 1.00 1.20 C ATOM 1362 CG PHE A 81 -40.355 3.396 -24.581 1.00 53.54 C ATOM 1363 CD1 PHE A 81 -40.190 2.900 -23.298 1.00 45.35 C ATOM 1364 CD2 PHE A 81 -40.425 4.768 -24.762 1.00 54.32 C ATOM 1365 CE1 PHE A 81 -40.099 3.756 -22.217 1.00 44.13 C ATOM 1366 CE2 PHE A 81 -40.334 5.628 -23.684 1.00 13.41 C ATOM 1367 CZ PHE A 81 -40.169 5.121 -22.410 1.00 13.43 C ATOM 0 H PHE A 81 -38.207 1.738 -24.323 1.00 61.31 H new ATOM 0 HA PHE A 81 -39.262 1.222 -27.043 1.00 21.20 H new ATOM 0 HB2 PHE A 81 -40.922 2.990 -26.588 1.00 1.20 H new ATOM 0 HB3 PHE A 81 -41.111 1.634 -25.495 1.00 1.20 H new ATOM 0 HD1 PHE A 81 -40.132 1.833 -23.141 1.00 45.35 H new ATOM 0 HD2 PHE A 81 -40.552 5.170 -25.756 1.00 54.32 H new ATOM 0 HE1 PHE A 81 -39.973 3.357 -21.221 1.00 44.13 H new ATOM 0 HE2 PHE A 81 -40.392 6.695 -23.838 1.00 13.41 H new ATOM 0 HZ PHE A 81 -40.095 5.791 -21.566 1.00 13.43 H new ATOM 1377 N VAL A 82 -38.472 3.534 -27.895 1.00 55.45 N ATOM 1378 CA VAL A 82 -37.691 4.624 -28.469 1.00 34.22 C ATOM 1379 C VAL A 82 -38.588 5.620 -29.196 1.00 33.12 C ATOM 1380 O VAL A 82 -39.694 5.284 -29.615 1.00 74.32 O ATOM 1381 CB VAL A 82 -36.628 4.096 -29.450 1.00 4.32 C ATOM 1382 CG1 VAL A 82 -35.529 3.358 -28.700 1.00 3.41 C ATOM 1383 CG2 VAL A 82 -37.269 3.196 -30.495 1.00 63.34 C ATOM 0 H VAL A 82 -39.222 3.192 -28.496 1.00 55.45 H new ATOM 0 HA VAL A 82 -37.192 5.127 -27.640 1.00 34.22 H new ATOM 0 HB VAL A 82 -36.177 4.946 -29.963 1.00 4.32 H new ATOM 0 HG11 VAL A 82 -34.787 2.992 -29.409 1.00 3.41 H new ATOM 0 HG12 VAL A 82 -35.052 4.037 -27.993 1.00 3.41 H new ATOM 0 HG13 VAL A 82 -35.960 2.516 -28.159 1.00 3.41 H new ATOM 0 HG21 VAL A 82 -36.504 2.832 -31.180 1.00 63.34 H new ATOM 0 HG22 VAL A 82 -37.747 2.350 -30.002 1.00 63.34 H new ATOM 0 HG23 VAL A 82 -38.016 3.761 -31.053 1.00 63.34 H new ATOM 1393 N ASN A 83 -38.102 6.849 -29.341 1.00 24.33 N ATOM 1394 CA ASN A 83 -38.859 7.895 -30.018 1.00 12.14 C ATOM 1395 C ASN A 83 -40.281 7.979 -29.470 1.00 35.43 C ATOM 1396 O ASN A 83 -41.221 8.298 -30.199 1.00 25.43 O ATOM 1397 CB ASN A 83 -38.896 7.634 -31.525 1.00 61.31 C ATOM 1398 CG ASN A 83 -39.158 8.895 -32.324 1.00 33.00 C ATOM 1399 OD1 ASN A 83 -39.962 9.739 -31.927 1.00 41.23 O ATOM 1400 ND2 ASN A 83 -38.479 9.029 -33.457 1.00 63.10 N ATOM 0 H ASN A 83 -37.188 7.144 -28.999 1.00 24.33 H new ATOM 0 HA ASN A 83 -38.360 8.846 -29.833 1.00 12.14 H new ATOM 0 HB2 ASN A 83 -37.947 7.199 -31.839 1.00 61.31 H new ATOM 0 HB3 ASN A 83 -39.671 6.900 -31.745 1.00 61.31 H new ATOM 0 HD21 ASN A 83 -38.614 9.857 -34.037 1.00 63.10 H new ATOM 0 HD22 ASN A 83 -37.823 8.304 -33.747 1.00 63.10 H new ATOM 1407 N ASP A 84 -40.431 7.688 -28.182 1.00 44.31 N ATOM 1408 CA ASP A 84 -41.737 7.732 -27.536 1.00 2.14 C ATOM 1409 C ASP A 84 -42.692 6.727 -28.172 1.00 3.50 C ATOM 1410 O ASP A 84 -43.887 6.991 -28.309 1.00 14.12 O ATOM 1411 CB ASP A 84 -42.327 9.141 -27.623 1.00 23.01 C ATOM 1412 CG ASP A 84 -41.257 10.214 -27.661 1.00 44.44 C ATOM 1413 OD1 ASP A 84 -40.631 10.468 -26.611 1.00 35.04 O ATOM 1414 OD2 ASP A 84 -41.044 10.801 -28.744 1.00 21.23 O ATOM 0 H ASP A 84 -39.664 7.419 -27.565 1.00 44.31 H new ATOM 0 HA ASP A 84 -41.605 7.467 -26.487 1.00 2.14 H new ATOM 0 HB2 ASP A 84 -42.947 9.218 -28.516 1.00 23.01 H new ATOM 0 HB3 ASP A 84 -42.979 9.312 -26.767 1.00 23.01 H new ATOM 1419 N THR A 85 -42.157 5.575 -28.561 1.00 33.44 N ATOM 1420 CA THR A 85 -42.960 4.531 -29.186 1.00 35.24 C ATOM 1421 C THR A 85 -42.350 3.153 -28.953 1.00 41.45 C ATOM 1422 O THR A 85 -41.132 3.017 -28.826 1.00 13.13 O ATOM 1423 CB THR A 85 -43.109 4.766 -30.701 1.00 22.25 C ATOM 1424 OG1 THR A 85 -44.009 3.804 -31.260 1.00 0.03 O ATOM 1425 CG2 THR A 85 -41.759 4.671 -31.396 1.00 51.45 C ATOM 0 H THR A 85 -41.170 5.341 -28.454 1.00 33.44 H new ATOM 0 HA THR A 85 -43.946 4.571 -28.722 1.00 35.24 H new ATOM 0 HB THR A 85 -43.510 5.768 -30.855 1.00 22.25 H new ATOM 0 HG1 THR A 85 -44.099 3.962 -32.223 1.00 0.03 H new ATOM 0 HG21 THR A 85 -41.887 4.840 -32.465 1.00 51.45 H new ATOM 0 HG22 THR A 85 -41.086 5.425 -30.988 1.00 51.45 H new ATOM 0 HG23 THR A 85 -41.335 3.680 -31.234 1.00 51.45 H new ATOM 1433 N LEU A 86 -43.200 2.135 -28.901 1.00 55.11 N ATOM 1434 CA LEU A 86 -42.744 0.767 -28.685 1.00 61.23 C ATOM 1435 C LEU A 86 -42.962 -0.084 -29.934 1.00 11.44 C ATOM 1436 O LEU A 86 -44.052 -0.599 -30.181 1.00 21.21 O ATOM 1437 CB LEU A 86 -43.478 0.144 -27.497 1.00 31.21 C ATOM 1438 CG LEU A 86 -42.867 -1.136 -26.927 1.00 73.31 C ATOM 1439 CD1 LEU A 86 -41.746 -0.807 -25.953 1.00 53.23 C ATOM 1440 CD2 LEU A 86 -43.936 -1.980 -26.247 1.00 65.32 C ATOM 0 H LEU A 86 -44.210 2.231 -29.006 1.00 55.11 H new ATOM 0 HA LEU A 86 -41.676 0.797 -28.469 1.00 61.23 H new ATOM 0 HB2 LEU A 86 -43.530 0.885 -26.699 1.00 31.21 H new ATOM 0 HB3 LEU A 86 -44.503 -0.070 -27.800 1.00 31.21 H new ATOM 0 HG LEU A 86 -42.446 -1.712 -27.751 1.00 73.31 H new ATOM 0 HD11 LEU A 86 -41.324 -1.731 -25.558 1.00 53.23 H new ATOM 0 HD12 LEU A 86 -40.968 -0.245 -26.470 1.00 53.23 H new ATOM 0 HD13 LEU A 86 -42.141 -0.209 -25.132 1.00 53.23 H new ATOM 0 HD21 LEU A 86 -43.483 -2.887 -25.847 1.00 65.32 H new ATOM 0 HD22 LEU A 86 -44.387 -1.411 -25.434 1.00 65.32 H new ATOM 0 HD23 LEU A 86 -44.704 -2.247 -26.972 1.00 65.32 H new ATOM 1452 N PRO A 87 -41.901 -0.235 -30.739 1.00 45.11 N ATOM 1453 CA PRO A 87 -41.951 -1.024 -31.974 1.00 64.44 C ATOM 1454 C PRO A 87 -42.080 -2.519 -31.701 1.00 51.12 C ATOM 1455 O PRO A 87 -41.889 -2.989 -30.580 1.00 2.11 O ATOM 1456 CB PRO A 87 -40.608 -0.717 -32.645 1.00 75.31 C ATOM 1457 CG PRO A 87 -39.703 -0.337 -31.524 1.00 40.44 C ATOM 1458 CD PRO A 87 -40.570 0.352 -30.507 1.00 40.11 C ATOM 0 HA PRO A 87 -42.817 -0.770 -32.586 1.00 64.44 H new ATOM 0 HB2 PRO A 87 -40.227 -1.584 -33.184 1.00 75.31 H new ATOM 0 HB3 PRO A 87 -40.703 0.092 -33.369 1.00 75.31 H new ATOM 0 HG2 PRO A 87 -39.222 -1.216 -31.095 1.00 40.44 H new ATOM 0 HG3 PRO A 87 -38.908 0.323 -31.871 1.00 40.44 H new ATOM 0 HD2 PRO A 87 -40.221 0.168 -29.491 1.00 40.11 H new ATOM 0 HD3 PRO A 87 -40.577 1.432 -30.651 1.00 40.11 H new ATOM 1466 N PRO A 88 -42.415 -3.285 -32.751 1.00 25.50 N ATOM 1467 CA PRO A 88 -42.577 -4.738 -32.649 1.00 62.40 C ATOM 1468 C PRO A 88 -41.250 -5.456 -32.423 1.00 4.34 C ATOM 1469 O PRO A 88 -40.195 -4.983 -32.847 1.00 40.44 O ATOM 1470 CB PRO A 88 -43.169 -5.125 -34.007 1.00 24.42 C ATOM 1471 CG PRO A 88 -42.717 -4.052 -34.936 1.00 3.42 C ATOM 1472 CD PRO A 88 -42.659 -2.792 -34.116 1.00 20.40 C ATOM 0 HA PRO A 88 -43.200 -5.019 -31.800 1.00 62.40 H new ATOM 0 HB2 PRO A 88 -42.814 -6.104 -34.330 1.00 24.42 H new ATOM 0 HB3 PRO A 88 -44.257 -5.179 -33.964 1.00 24.42 H new ATOM 0 HG2 PRO A 88 -41.740 -4.288 -35.359 1.00 3.42 H new ATOM 0 HG3 PRO A 88 -43.408 -3.942 -35.772 1.00 3.42 H new ATOM 0 HD2 PRO A 88 -41.861 -2.130 -34.453 1.00 20.40 H new ATOM 0 HD3 PRO A 88 -43.590 -2.228 -34.179 1.00 20.40 H new ATOM 1480 N THR A 89 -41.308 -6.601 -31.750 1.00 14.42 N ATOM 1481 CA THR A 89 -40.112 -7.383 -31.466 1.00 21.51 C ATOM 1482 C THR A 89 -39.529 -7.978 -32.743 1.00 20.23 C ATOM 1483 O THR A 89 -38.402 -8.473 -32.750 1.00 12.34 O ATOM 1484 CB THR A 89 -40.408 -8.521 -30.471 1.00 64.22 C ATOM 1485 OG1 THR A 89 -41.215 -9.523 -31.099 1.00 12.20 O ATOM 1486 CG2 THR A 89 -41.120 -7.989 -29.237 1.00 25.23 C ATOM 0 H THR A 89 -42.172 -7.007 -31.391 1.00 14.42 H new ATOM 0 HA THR A 89 -39.387 -6.702 -31.021 1.00 21.51 H new ATOM 0 HB THR A 89 -39.459 -8.960 -30.162 1.00 64.22 H new ATOM 0 HG1 THR A 89 -41.397 -10.244 -30.460 1.00 12.20 H new ATOM 0 HG21 THR A 89 -41.319 -8.811 -28.549 1.00 25.23 H new ATOM 0 HG22 THR A 89 -40.490 -7.248 -28.745 1.00 25.23 H new ATOM 0 HG23 THR A 89 -42.062 -7.527 -29.532 1.00 25.23 H new ATOM 1494 N ALA A 90 -40.303 -7.926 -33.822 1.00 61.12 N ATOM 1495 CA ALA A 90 -39.861 -8.458 -35.105 1.00 41.11 C ATOM 1496 C ALA A 90 -38.916 -7.487 -35.805 1.00 42.54 C ATOM 1497 O ALA A 90 -38.146 -7.878 -36.682 1.00 30.30 O ATOM 1498 CB ALA A 90 -41.060 -8.761 -35.992 1.00 31.31 C ATOM 0 H ALA A 90 -41.239 -7.521 -33.833 1.00 61.12 H new ATOM 0 HA ALA A 90 -39.317 -9.384 -34.919 1.00 41.11 H new ATOM 0 HB1 ALA A 90 -40.715 -9.158 -36.947 1.00 31.31 H new ATOM 0 HB2 ALA A 90 -41.698 -9.497 -35.503 1.00 31.31 H new ATOM 0 HB3 ALA A 90 -41.627 -7.846 -36.163 1.00 31.31 H new ATOM 1504 N ALA A 91 -38.980 -6.219 -35.412 1.00 52.52 N ATOM 1505 CA ALA A 91 -38.129 -5.193 -36.002 1.00 1.50 C ATOM 1506 C ALA A 91 -36.668 -5.404 -35.617 1.00 12.43 C ATOM 1507 O ALA A 91 -36.312 -6.422 -35.024 1.00 73.31 O ATOM 1508 CB ALA A 91 -38.596 -3.809 -35.573 1.00 70.33 C ATOM 0 H ALA A 91 -39.612 -5.878 -34.688 1.00 52.52 H new ATOM 0 HA ALA A 91 -38.207 -5.270 -37.086 1.00 1.50 H new ATOM 0 HB1 ALA A 91 -37.952 -3.053 -36.021 1.00 70.33 H new ATOM 0 HB2 ALA A 91 -39.623 -3.653 -35.904 1.00 70.33 H new ATOM 0 HB3 ALA A 91 -38.548 -3.729 -34.487 1.00 70.33 H new ATOM 1514 N LEU A 92 -35.826 -4.434 -35.957 1.00 43.03 N ATOM 1515 CA LEU A 92 -34.402 -4.513 -35.647 1.00 73.03 C ATOM 1516 C LEU A 92 -33.851 -3.144 -35.264 1.00 10.34 C ATOM 1517 O LEU A 92 -34.261 -2.123 -35.816 1.00 4.14 O ATOM 1518 CB LEU A 92 -33.630 -5.070 -36.845 1.00 33.13 C ATOM 1519 CG LEU A 92 -32.586 -6.142 -36.530 1.00 45.24 C ATOM 1520 CD1 LEU A 92 -32.610 -7.236 -37.587 1.00 11.34 C ATOM 1521 CD2 LEU A 92 -31.198 -5.523 -36.434 1.00 13.43 C ATOM 0 H LEU A 92 -36.104 -3.584 -36.447 1.00 43.03 H new ATOM 0 HA LEU A 92 -34.277 -5.184 -34.797 1.00 73.03 H new ATOM 0 HB2 LEU A 92 -34.347 -5.486 -37.552 1.00 33.13 H new ATOM 0 HB3 LEU A 92 -33.131 -4.241 -37.347 1.00 33.13 H new ATOM 0 HG LEU A 92 -32.831 -6.589 -35.566 1.00 45.24 H new ATOM 0 HD11 LEU A 92 -31.861 -7.990 -37.347 1.00 11.34 H new ATOM 0 HD12 LEU A 92 -33.597 -7.699 -37.609 1.00 11.34 H new ATOM 0 HD13 LEU A 92 -32.390 -6.804 -38.563 1.00 11.34 H new ATOM 0 HD21 LEU A 92 -30.468 -6.300 -36.209 1.00 13.43 H new ATOM 0 HD22 LEU A 92 -30.944 -5.050 -37.383 1.00 13.43 H new ATOM 0 HD23 LEU A 92 -31.187 -4.775 -35.641 1.00 13.43 H new ATOM 1533 N MET A 93 -32.920 -3.131 -34.316 1.00 70.11 N ATOM 1534 CA MET A 93 -32.310 -1.886 -33.861 1.00 73.53 C ATOM 1535 C MET A 93 -31.633 -1.158 -35.018 1.00 74.12 C ATOM 1536 O MET A 93 -31.668 0.069 -35.096 1.00 41.32 O ATOM 1537 CB MET A 93 -31.292 -2.168 -32.755 1.00 12.41 C ATOM 1538 CG MET A 93 -31.870 -2.935 -31.577 1.00 53.04 C ATOM 1539 SD MET A 93 -32.587 -1.853 -30.327 1.00 3.54 S ATOM 1540 CE MET A 93 -31.115 -1.060 -29.682 1.00 33.03 C ATOM 0 H MET A 93 -32.571 -3.967 -33.848 1.00 70.11 H new ATOM 0 HA MET A 93 -33.099 -1.247 -33.465 1.00 73.53 H new ATOM 0 HB2 MET A 93 -30.460 -2.735 -33.174 1.00 12.41 H new ATOM 0 HB3 MET A 93 -30.885 -1.222 -32.397 1.00 12.41 H new ATOM 0 HG2 MET A 93 -32.634 -3.624 -31.937 1.00 53.04 H new ATOM 0 HG3 MET A 93 -31.085 -3.539 -31.122 1.00 53.04 H new ATOM 0 HE1 MET A 93 -31.051 -1.230 -28.607 1.00 33.03 H new ATOM 0 HE2 MET A 93 -30.234 -1.478 -30.168 1.00 33.03 H new ATOM 0 HE3 MET A 93 -31.163 0.011 -29.878 1.00 33.03 H new ATOM 1550 N SER A 94 -31.018 -1.924 -35.915 1.00 13.22 N ATOM 1551 CA SER A 94 -30.330 -1.350 -37.066 1.00 31.43 C ATOM 1552 C SER A 94 -31.317 -0.659 -38.000 1.00 52.55 C ATOM 1553 O SER A 94 -30.958 0.271 -38.723 1.00 73.21 O ATOM 1554 CB SER A 94 -29.568 -2.438 -37.825 1.00 24.24 C ATOM 1555 OG SER A 94 -29.086 -1.952 -39.066 1.00 31.54 O ATOM 0 H SER A 94 -30.982 -2.942 -35.867 1.00 13.22 H new ATOM 0 HA SER A 94 -29.621 -0.607 -36.701 1.00 31.43 H new ATOM 0 HB2 SER A 94 -28.733 -2.791 -37.220 1.00 24.24 H new ATOM 0 HB3 SER A 94 -30.222 -3.293 -37.995 1.00 24.24 H new ATOM 0 HG SER A 94 -28.601 -2.666 -39.531 1.00 31.54 H new ATOM 1561 N ALA A 95 -32.564 -1.119 -37.980 1.00 33.13 N ATOM 1562 CA ALA A 95 -33.605 -0.545 -38.823 1.00 21.05 C ATOM 1563 C ALA A 95 -34.282 0.635 -38.133 1.00 61.42 C ATOM 1564 O ALA A 95 -34.728 1.576 -38.789 1.00 5.42 O ATOM 1565 CB ALA A 95 -34.632 -1.605 -39.189 1.00 33.22 C ATOM 0 H ALA A 95 -32.878 -1.888 -37.388 1.00 33.13 H new ATOM 0 HA ALA A 95 -33.137 -0.178 -39.736 1.00 21.05 H new ATOM 0 HB1 ALA A 95 -35.404 -1.162 -39.819 1.00 33.22 H new ATOM 0 HB2 ALA A 95 -34.142 -2.415 -39.730 1.00 33.22 H new ATOM 0 HB3 ALA A 95 -35.087 -1.999 -38.281 1.00 33.22 H new ATOM 1571 N ILE A 96 -34.357 0.576 -36.807 1.00 64.55 N ATOM 1572 CA ILE A 96 -34.979 1.639 -36.030 1.00 3.13 C ATOM 1573 C ILE A 96 -34.025 2.815 -35.846 1.00 55.10 C ATOM 1574 O ILE A 96 -34.375 3.962 -36.131 1.00 61.31 O ATOM 1575 CB ILE A 96 -35.428 1.136 -34.646 1.00 23.43 C ATOM 1576 CG1 ILE A 96 -36.454 0.011 -34.796 1.00 75.05 C ATOM 1577 CG2 ILE A 96 -36.005 2.281 -33.826 1.00 63.24 C ATOM 1578 CD1 ILE A 96 -37.775 0.472 -35.372 1.00 61.34 C ATOM 0 H ILE A 96 -33.994 -0.197 -36.249 1.00 64.55 H new ATOM 0 HA ILE A 96 -35.855 1.968 -36.589 1.00 3.13 H new ATOM 0 HB ILE A 96 -34.558 0.742 -34.120 1.00 23.43 H new ATOM 0 HG12 ILE A 96 -36.038 -0.766 -35.438 1.00 75.05 H new ATOM 0 HG13 ILE A 96 -36.630 -0.442 -33.820 1.00 75.05 H new ATOM 0 HG21 ILE A 96 -36.318 1.908 -32.851 1.00 63.24 H new ATOM 0 HG22 ILE A 96 -35.246 3.052 -33.694 1.00 63.24 H new ATOM 0 HG23 ILE A 96 -36.865 2.703 -34.346 1.00 63.24 H new ATOM 0 HD11 ILE A 96 -38.454 -0.377 -35.450 1.00 61.34 H new ATOM 0 HD12 ILE A 96 -38.213 1.228 -34.719 1.00 61.34 H new ATOM 0 HD13 ILE A 96 -37.611 0.898 -36.362 1.00 61.34 H new ATOM 1590 N TYR A 97 -32.821 2.524 -35.369 1.00 45.02 N ATOM 1591 CA TYR A 97 -31.816 3.558 -35.146 1.00 52.33 C ATOM 1592 C TYR A 97 -31.602 4.391 -36.408 1.00 34.25 C ATOM 1593 O TYR A 97 -31.218 5.557 -36.334 1.00 51.44 O ATOM 1594 CB TYR A 97 -30.494 2.927 -34.708 1.00 45.10 C ATOM 1595 CG TYR A 97 -29.280 3.749 -35.077 1.00 4.31 C ATOM 1596 CD1 TYR A 97 -28.654 3.586 -36.307 1.00 64.24 C ATOM 1597 CD2 TYR A 97 -28.758 4.688 -34.197 1.00 25.35 C ATOM 1598 CE1 TYR A 97 -27.543 4.334 -36.648 1.00 73.12 C ATOM 1599 CE2 TYR A 97 -27.649 5.441 -34.530 1.00 23.04 C ATOM 1600 CZ TYR A 97 -27.045 5.261 -35.757 1.00 70.41 C ATOM 1601 OH TYR A 97 -25.940 6.009 -36.093 1.00 30.44 O ATOM 0 H TYR A 97 -32.516 1.581 -35.129 1.00 45.02 H new ATOM 0 HA TYR A 97 -32.177 4.216 -34.355 1.00 52.33 H new ATOM 0 HB2 TYR A 97 -30.510 2.783 -33.628 1.00 45.10 H new ATOM 0 HB3 TYR A 97 -30.405 1.939 -35.160 1.00 45.10 H new ATOM 0 HD1 TYR A 97 -29.042 2.862 -37.008 1.00 64.24 H new ATOM 0 HD2 TYR A 97 -29.228 4.832 -33.235 1.00 25.35 H new ATOM 0 HE1 TYR A 97 -27.067 4.193 -37.607 1.00 73.12 H new ATOM 0 HE2 TYR A 97 -27.257 6.167 -33.833 1.00 23.04 H new ATOM 0 HH TYR A 97 -25.719 6.615 -35.356 1.00 30.44 H new ATOM 1611 N GLN A 98 -31.856 3.780 -37.561 1.00 2.51 N ATOM 1612 CA GLN A 98 -31.691 4.465 -38.838 1.00 21.14 C ATOM 1613 C GLN A 98 -32.339 5.845 -38.803 1.00 3.42 C ATOM 1614 O GLN A 98 -31.700 6.849 -39.119 1.00 63.30 O ATOM 1615 CB GLN A 98 -32.298 3.632 -39.969 1.00 1.35 C ATOM 1616 CG GLN A 98 -31.275 3.146 -40.982 1.00 44.23 C ATOM 1617 CD GLN A 98 -31.797 2.011 -41.840 1.00 1.02 C ATOM 1618 OE1 GLN A 98 -32.981 1.964 -42.174 1.00 72.33 O ATOM 1619 NE2 GLN A 98 -30.914 1.087 -42.202 1.00 23.13 N ATOM 0 H GLN A 98 -32.176 2.815 -37.637 1.00 2.51 H new ATOM 0 HA GLN A 98 -30.624 4.590 -39.020 1.00 21.14 H new ATOM 0 HB2 GLN A 98 -32.810 2.771 -39.540 1.00 1.35 H new ATOM 0 HB3 GLN A 98 -33.052 4.228 -40.484 1.00 1.35 H new ATOM 0 HG2 GLN A 98 -30.982 3.977 -41.624 1.00 44.23 H new ATOM 0 HG3 GLN A 98 -30.378 2.817 -40.457 1.00 44.23 H new ATOM 0 HE21 GLN A 98 -29.942 1.165 -41.903 1.00 23.13 H new ATOM 0 HE22 GLN A 98 -31.208 0.299 -42.779 1.00 23.13 H new ATOM 1628 N GLU A 99 -33.610 5.888 -38.417 1.00 52.41 N ATOM 1629 CA GLU A 99 -34.344 7.146 -38.342 1.00 65.12 C ATOM 1630 C GLU A 99 -34.522 7.587 -36.892 1.00 54.45 C ATOM 1631 O GLU A 99 -34.906 8.725 -36.620 1.00 43.22 O ATOM 1632 CB GLU A 99 -35.710 7.006 -39.016 1.00 14.01 C ATOM 1633 CG GLU A 99 -36.520 8.292 -39.025 1.00 24.31 C ATOM 1634 CD GLU A 99 -37.534 8.336 -40.151 1.00 21.35 C ATOM 1635 OE1 GLU A 99 -38.391 7.429 -40.212 1.00 44.02 O ATOM 1636 OE2 GLU A 99 -37.471 9.276 -40.970 1.00 64.25 O ATOM 0 H GLU A 99 -34.153 5.066 -38.151 1.00 52.41 H new ATOM 0 HA GLU A 99 -33.765 7.907 -38.866 1.00 65.12 H new ATOM 0 HB2 GLU A 99 -35.566 6.670 -40.043 1.00 14.01 H new ATOM 0 HB3 GLU A 99 -36.280 6.231 -38.504 1.00 14.01 H new ATOM 0 HG2 GLU A 99 -37.037 8.398 -38.071 1.00 24.31 H new ATOM 0 HG3 GLU A 99 -35.844 9.142 -39.117 1.00 24.31 H new ATOM 1643 N HIS A 100 -34.242 6.677 -35.965 1.00 32.40 N ATOM 1644 CA HIS A 100 -34.371 6.970 -34.541 1.00 43.23 C ATOM 1645 C HIS A 100 -33.028 7.385 -33.949 1.00 23.54 C ATOM 1646 O HIS A 100 -32.828 7.324 -32.735 1.00 2.02 O ATOM 1647 CB HIS A 100 -34.918 5.753 -33.796 1.00 44.40 C ATOM 1648 CG HIS A 100 -36.327 5.406 -34.167 1.00 43.21 C ATOM 1649 ND1 HIS A 100 -37.335 5.261 -33.238 1.00 14.41 N ATOM 1650 CD2 HIS A 100 -36.893 5.177 -35.375 1.00 23.05 C ATOM 1651 CE1 HIS A 100 -38.461 4.956 -33.858 1.00 52.23 C ATOM 1652 NE2 HIS A 100 -38.220 4.899 -35.156 1.00 50.32 N ATOM 0 H HIS A 100 -33.924 5.730 -36.174 1.00 32.40 H new ATOM 0 HA HIS A 100 -35.070 7.799 -34.427 1.00 43.23 H new ATOM 0 HB2 HIS A 100 -34.276 4.895 -33.998 1.00 44.40 H new ATOM 0 HB3 HIS A 100 -34.870 5.942 -32.724 1.00 44.40 H new ATOM 0 HD2 HIS A 100 -36.394 5.207 -36.332 1.00 23.05 H new ATOM 0 HE1 HIS A 100 -39.416 4.783 -33.385 1.00 52.23 H new ATOM 0 HE2 HIS A 100 -38.908 4.684 -35.878 1.00 50.32 H new ATOM 1660 N LYS A 101 -32.109 7.804 -34.811 1.00 41.34 N ATOM 1661 CA LYS A 101 -30.785 8.229 -34.374 1.00 40.21 C ATOM 1662 C LYS A 101 -30.764 9.725 -34.075 1.00 54.44 C ATOM 1663 O LYS A 101 -31.199 10.537 -34.892 1.00 72.14 O ATOM 1664 CB LYS A 101 -29.741 7.898 -35.443 1.00 73.45 C ATOM 1665 CG LYS A 101 -30.113 8.393 -36.830 1.00 2.30 C ATOM 1666 CD LYS A 101 -28.900 8.453 -37.744 1.00 25.32 C ATOM 1667 CE LYS A 101 -29.261 9.007 -39.114 1.00 34.44 C ATOM 1668 NZ LYS A 101 -29.615 10.452 -39.052 1.00 71.44 N ATOM 0 H LYS A 101 -32.257 7.858 -35.819 1.00 41.34 H new ATOM 0 HA LYS A 101 -30.543 7.690 -33.458 1.00 40.21 H new ATOM 0 HB2 LYS A 101 -28.786 8.336 -35.154 1.00 73.45 H new ATOM 0 HB3 LYS A 101 -29.599 6.818 -35.478 1.00 73.45 H new ATOM 0 HG2 LYS A 101 -30.864 7.733 -37.264 1.00 2.30 H new ATOM 0 HG3 LYS A 101 -30.563 9.383 -36.756 1.00 2.30 H new ATOM 0 HD2 LYS A 101 -28.131 9.077 -37.289 1.00 25.32 H new ATOM 0 HD3 LYS A 101 -28.476 7.455 -37.854 1.00 25.32 H new ATOM 0 HE2 LYS A 101 -28.421 8.868 -39.795 1.00 34.44 H new ATOM 0 HE3 LYS A 101 -30.100 8.445 -39.524 1.00 34.44 H new ATOM 0 HZ1 LYS A 101 -29.673 10.837 -40.016 1.00 71.44 H new ATOM 0 HZ2 LYS A 101 -30.534 10.564 -38.579 1.00 71.44 H new ATOM 0 HZ3 LYS A 101 -28.886 10.965 -38.517 1.00 71.44 H new ATOM 1682 N ASP A 102 -30.255 10.082 -32.901 1.00 54.21 N ATOM 1683 CA ASP A 102 -30.176 11.480 -32.496 1.00 45.42 C ATOM 1684 C ASP A 102 -29.548 12.331 -33.597 1.00 62.30 C ATOM 1685 O ASP A 102 -28.955 11.805 -34.540 1.00 2.45 O ATOM 1686 CB ASP A 102 -29.364 11.615 -31.206 1.00 72.32 C ATOM 1687 CG ASP A 102 -29.454 13.005 -30.608 1.00 33.43 C ATOM 1688 OD1 ASP A 102 -30.580 13.535 -30.507 1.00 0.11 O ATOM 1689 OD2 ASP A 102 -28.399 13.563 -30.241 1.00 62.12 O ATOM 0 H ASP A 102 -29.891 9.422 -32.213 1.00 54.21 H new ATOM 0 HA ASP A 102 -31.190 11.838 -32.318 1.00 45.42 H new ATOM 0 HB2 ASP A 102 -29.720 10.886 -30.478 1.00 72.32 H new ATOM 0 HB3 ASP A 102 -28.320 11.378 -31.411 1.00 72.32 H new ATOM 1694 N LYS A 103 -29.682 13.646 -33.470 1.00 53.33 N ATOM 1695 CA LYS A 103 -29.129 14.570 -34.454 1.00 0.44 C ATOM 1696 C LYS A 103 -27.623 14.376 -34.595 1.00 4.31 C ATOM 1697 O LYS A 103 -27.028 14.768 -35.599 1.00 72.23 O ATOM 1698 CB LYS A 103 -29.433 16.016 -34.053 1.00 72.42 C ATOM 1699 CG LYS A 103 -30.916 16.308 -33.912 1.00 4.54 C ATOM 1700 CD LYS A 103 -31.158 17.624 -33.191 1.00 51.21 C ATOM 1701 CE LYS A 103 -32.633 17.999 -33.195 1.00 51.15 C ATOM 1702 NZ LYS A 103 -32.873 19.315 -32.540 1.00 71.31 N ATOM 0 H LYS A 103 -30.169 14.097 -32.695 1.00 53.33 H new ATOM 0 HA LYS A 103 -29.596 14.360 -35.416 1.00 0.44 H new ATOM 0 HB2 LYS A 103 -28.937 16.234 -33.107 1.00 72.42 H new ATOM 0 HB3 LYS A 103 -29.008 16.688 -34.799 1.00 72.42 H new ATOM 0 HG2 LYS A 103 -31.377 16.343 -34.899 1.00 4.54 H new ATOM 0 HG3 LYS A 103 -31.397 15.498 -33.364 1.00 4.54 H new ATOM 0 HD2 LYS A 103 -30.804 17.547 -32.163 1.00 51.21 H new ATOM 0 HD3 LYS A 103 -30.579 18.414 -33.670 1.00 51.21 H new ATOM 0 HE2 LYS A 103 -32.996 18.033 -34.222 1.00 51.15 H new ATOM 0 HE3 LYS A 103 -33.205 17.227 -32.680 1.00 51.15 H new ATOM 0 HZ1 LYS A 103 -33.889 19.534 -32.563 1.00 71.31 H new ATOM 0 HZ2 LYS A 103 -32.550 19.275 -31.552 1.00 71.31 H new ATOM 0 HZ3 LYS A 103 -32.347 20.056 -33.047 1.00 71.31 H new ATOM 1716 N ASP A 104 -27.011 13.769 -33.584 1.00 34.42 N ATOM 1717 CA ASP A 104 -25.575 13.520 -33.596 1.00 2.41 C ATOM 1718 C ASP A 104 -25.282 12.024 -33.598 1.00 25.20 C ATOM 1719 O ASP A 104 -24.333 11.565 -32.962 1.00 42.52 O ATOM 1720 CB ASP A 104 -24.911 14.182 -32.388 1.00 24.33 C ATOM 1721 CG ASP A 104 -23.438 14.459 -32.615 1.00 20.01 C ATOM 1722 OD1 ASP A 104 -22.942 14.159 -33.721 1.00 21.31 O ATOM 1723 OD2 ASP A 104 -22.780 14.975 -31.687 1.00 32.05 O ATOM 0 H ASP A 104 -27.488 13.440 -32.745 1.00 34.42 H new ATOM 0 HA ASP A 104 -25.164 13.952 -34.508 1.00 2.41 H new ATOM 0 HB2 ASP A 104 -25.423 15.118 -32.163 1.00 24.33 H new ATOM 0 HB3 ASP A 104 -25.026 13.538 -31.516 1.00 24.33 H new ATOM 1728 N GLY A 105 -26.106 11.265 -34.315 1.00 64.01 N ATOM 1729 CA GLY A 105 -25.919 9.827 -34.384 1.00 2.40 C ATOM 1730 C GLY A 105 -25.848 9.186 -33.013 1.00 71.44 C ATOM 1731 O GLY A 105 -24.787 8.731 -32.586 1.00 41.01 O ATOM 0 H GLY A 105 -26.899 11.620 -34.849 1.00 64.01 H new ATOM 0 HA2 GLY A 105 -26.740 9.383 -34.947 1.00 2.40 H new ATOM 0 HA3 GLY A 105 -25.002 9.609 -34.932 1.00 2.40 H new ATOM 1735 N PHE A 106 -26.982 9.148 -32.320 1.00 63.43 N ATOM 1736 CA PHE A 106 -27.044 8.559 -30.987 1.00 53.04 C ATOM 1737 C PHE A 106 -28.416 7.945 -30.728 1.00 72.44 C ATOM 1738 O PHE A 106 -29.434 8.640 -30.744 1.00 64.34 O ATOM 1739 CB PHE A 106 -26.736 9.615 -29.925 1.00 3.22 C ATOM 1740 CG PHE A 106 -25.351 9.506 -29.354 1.00 41.54 C ATOM 1741 CD1 PHE A 106 -24.907 8.317 -28.800 1.00 61.32 C ATOM 1742 CD2 PHE A 106 -24.492 10.594 -29.372 1.00 72.04 C ATOM 1743 CE1 PHE A 106 -23.634 8.213 -28.275 1.00 3.02 C ATOM 1744 CE2 PHE A 106 -23.217 10.497 -28.849 1.00 71.30 C ATOM 1745 CZ PHE A 106 -22.787 9.305 -28.300 1.00 23.42 C ATOM 0 H PHE A 106 -27.870 9.518 -32.659 1.00 63.43 H new ATOM 0 HA PHE A 106 -26.295 7.769 -30.930 1.00 53.04 H new ATOM 0 HB2 PHE A 106 -26.863 10.606 -30.362 1.00 3.22 H new ATOM 0 HB3 PHE A 106 -27.462 9.528 -29.116 1.00 3.22 H new ATOM 0 HD1 PHE A 106 -25.564 7.460 -28.778 1.00 61.32 H new ATOM 0 HD2 PHE A 106 -24.823 11.529 -29.800 1.00 72.04 H new ATOM 0 HE1 PHE A 106 -23.301 7.280 -27.846 1.00 3.02 H new ATOM 0 HE2 PHE A 106 -22.558 11.352 -28.869 1.00 71.30 H new ATOM 0 HZ PHE A 106 -21.791 9.226 -27.891 1.00 23.42 H new ATOM 1755 N LEU A 107 -28.438 6.638 -30.489 1.00 72.13 N ATOM 1756 CA LEU A 107 -29.685 5.929 -30.226 1.00 51.13 C ATOM 1757 C LEU A 107 -30.144 6.149 -28.789 1.00 0.32 C ATOM 1758 O LEU A 107 -29.355 6.041 -27.851 1.00 21.03 O ATOM 1759 CB LEU A 107 -29.510 4.433 -30.494 1.00 61.12 C ATOM 1760 CG LEU A 107 -30.794 3.640 -30.739 1.00 52.13 C ATOM 1761 CD1 LEU A 107 -31.599 3.516 -29.455 1.00 23.41 C ATOM 1762 CD2 LEU A 107 -31.626 4.298 -31.830 1.00 74.22 C ATOM 0 H LEU A 107 -27.606 6.048 -30.472 1.00 72.13 H new ATOM 0 HA LEU A 107 -30.448 6.325 -30.896 1.00 51.13 H new ATOM 0 HB2 LEU A 107 -28.862 4.313 -31.362 1.00 61.12 H new ATOM 0 HB3 LEU A 107 -28.990 3.991 -29.644 1.00 61.12 H new ATOM 0 HG LEU A 107 -30.522 2.638 -31.071 1.00 52.13 H new ATOM 0 HD11 LEU A 107 -32.509 2.949 -29.650 1.00 23.41 H new ATOM 0 HD12 LEU A 107 -31.004 3.001 -28.701 1.00 23.41 H new ATOM 0 HD13 LEU A 107 -31.862 4.510 -29.093 1.00 23.41 H new ATOM 0 HD21 LEU A 107 -32.536 3.721 -31.992 1.00 74.22 H new ATOM 0 HD22 LEU A 107 -31.888 5.311 -31.526 1.00 74.22 H new ATOM 0 HD23 LEU A 107 -31.050 4.334 -32.755 1.00 74.22 H new ATOM 1774 N TYR A 108 -31.425 6.458 -28.624 1.00 35.03 N ATOM 1775 CA TYR A 108 -31.991 6.693 -27.300 1.00 63.24 C ATOM 1776 C TYR A 108 -32.976 5.591 -26.925 1.00 30.24 C ATOM 1777 O TYR A 108 -34.073 5.508 -27.478 1.00 15.21 O ATOM 1778 CB TYR A 108 -32.689 8.054 -27.256 1.00 25.43 C ATOM 1779 CG TYR A 108 -31.746 9.209 -27.002 1.00 42.02 C ATOM 1780 CD1 TYR A 108 -31.180 9.407 -25.750 1.00 2.14 C ATOM 1781 CD2 TYR A 108 -31.423 10.103 -28.016 1.00 52.02 C ATOM 1782 CE1 TYR A 108 -30.319 10.462 -25.513 1.00 13.22 C ATOM 1783 CE2 TYR A 108 -30.562 11.159 -27.789 1.00 14.45 C ATOM 1784 CZ TYR A 108 -30.013 11.335 -26.536 1.00 73.32 C ATOM 1785 OH TYR A 108 -29.157 12.386 -26.305 1.00 45.34 O ATOM 0 H TYR A 108 -32.092 6.552 -29.390 1.00 35.03 H new ATOM 0 HA TYR A 108 -31.175 6.687 -26.577 1.00 63.24 H new ATOM 0 HB2 TYR A 108 -33.206 8.219 -28.201 1.00 25.43 H new ATOM 0 HB3 TYR A 108 -33.450 8.038 -26.475 1.00 25.43 H new ATOM 0 HD1 TYR A 108 -31.417 8.725 -24.947 1.00 2.14 H new ATOM 0 HD2 TYR A 108 -31.852 9.970 -28.998 1.00 52.02 H new ATOM 0 HE1 TYR A 108 -29.888 10.602 -24.532 1.00 13.22 H new ATOM 0 HE2 TYR A 108 -30.320 11.843 -28.589 1.00 14.45 H new ATOM 0 HH TYR A 108 -29.046 12.905 -27.129 1.00 45.34 H new ATOM 1795 N VAL A 109 -32.578 4.747 -25.978 1.00 41.53 N ATOM 1796 CA VAL A 109 -33.425 3.651 -25.526 1.00 31.32 C ATOM 1797 C VAL A 109 -33.833 3.836 -24.069 1.00 2.12 C ATOM 1798 O VAL A 109 -32.987 4.036 -23.195 1.00 53.34 O ATOM 1799 CB VAL A 109 -32.715 2.292 -25.678 1.00 41.12 C ATOM 1800 CG1 VAL A 109 -32.850 1.776 -27.103 1.00 74.02 C ATOM 1801 CG2 VAL A 109 -31.251 2.409 -25.282 1.00 14.21 C ATOM 0 H VAL A 109 -31.674 4.802 -25.509 1.00 41.53 H new ATOM 0 HA VAL A 109 -34.315 3.661 -26.155 1.00 31.32 H new ATOM 0 HB VAL A 109 -33.193 1.575 -25.010 1.00 41.12 H new ATOM 0 HG11 VAL A 109 -32.343 0.815 -27.192 1.00 74.02 H new ATOM 0 HG12 VAL A 109 -33.905 1.653 -27.347 1.00 74.02 H new ATOM 0 HG13 VAL A 109 -32.399 2.490 -27.793 1.00 74.02 H new ATOM 0 HG21 VAL A 109 -30.765 1.440 -25.395 1.00 14.21 H new ATOM 0 HG22 VAL A 109 -30.758 3.140 -25.923 1.00 14.21 H new ATOM 0 HG23 VAL A 109 -31.180 2.731 -24.243 1.00 14.21 H new ATOM 1811 N THR A 110 -35.135 3.770 -23.811 1.00 33.04 N ATOM 1812 CA THR A 110 -35.657 3.932 -22.460 1.00 3.04 C ATOM 1813 C THR A 110 -36.300 2.643 -21.961 1.00 74.20 C ATOM 1814 O THR A 110 -37.156 2.064 -22.632 1.00 4.24 O ATOM 1815 CB THR A 110 -36.693 5.069 -22.389 1.00 44.43 C ATOM 1816 OG1 THR A 110 -36.470 6.001 -23.455 1.00 61.43 O ATOM 1817 CG2 THR A 110 -36.613 5.792 -21.053 1.00 43.32 C ATOM 0 H THR A 110 -35.848 3.605 -24.521 1.00 33.04 H new ATOM 0 HA THR A 110 -34.809 4.183 -21.823 1.00 3.04 H new ATOM 0 HB THR A 110 -37.687 4.632 -22.489 1.00 44.43 H new ATOM 0 HG1 THR A 110 -37.134 6.720 -23.405 1.00 61.43 H new ATOM 0 HG21 THR A 110 -37.354 6.591 -21.027 1.00 43.32 H new ATOM 0 HG22 THR A 110 -36.810 5.087 -20.245 1.00 43.32 H new ATOM 0 HG23 THR A 110 -35.617 6.217 -20.928 1.00 43.32 H new ATOM 1825 N TYR A 111 -35.886 2.198 -20.779 1.00 45.45 N ATOM 1826 CA TYR A 111 -36.421 0.977 -20.191 1.00 60.43 C ATOM 1827 C TYR A 111 -37.337 1.295 -19.014 1.00 53.10 C ATOM 1828 O TYR A 111 -36.974 2.059 -18.119 1.00 51.41 O ATOM 1829 CB TYR A 111 -35.281 0.065 -19.733 1.00 73.35 C ATOM 1830 CG TYR A 111 -34.472 0.633 -18.590 1.00 1.41 C ATOM 1831 CD1 TYR A 111 -33.429 1.521 -18.826 1.00 21.53 C ATOM 1832 CD2 TYR A 111 -34.750 0.284 -17.274 1.00 41.32 C ATOM 1833 CE1 TYR A 111 -32.687 2.043 -17.784 1.00 43.01 C ATOM 1834 CE2 TYR A 111 -34.015 0.802 -16.227 1.00 64.24 C ATOM 1835 CZ TYR A 111 -32.984 1.681 -16.486 1.00 62.33 C ATOM 1836 OH TYR A 111 -32.247 2.198 -15.445 1.00 44.45 O ATOM 0 H TYR A 111 -35.181 2.666 -20.210 1.00 45.45 H new ATOM 0 HA TYR A 111 -37.005 0.462 -20.954 1.00 60.43 H new ATOM 0 HB2 TYR A 111 -35.696 -0.897 -19.431 1.00 73.35 H new ATOM 0 HB3 TYR A 111 -34.618 -0.125 -20.577 1.00 73.35 H new ATOM 0 HD1 TYR A 111 -33.195 1.808 -19.841 1.00 21.53 H new ATOM 0 HD2 TYR A 111 -35.556 -0.405 -17.067 1.00 41.32 H new ATOM 0 HE1 TYR A 111 -31.879 2.731 -17.984 1.00 43.01 H new ATOM 0 HE2 TYR A 111 -34.246 0.521 -15.210 1.00 64.24 H new ATOM 0 HH TYR A 111 -32.810 2.261 -14.645 1.00 44.45 H new ATOM 1846 N SER A 112 -38.527 0.702 -19.022 1.00 23.24 N ATOM 1847 CA SER A 112 -39.497 0.924 -17.956 1.00 34.20 C ATOM 1848 C SER A 112 -40.524 -0.205 -17.913 1.00 4.21 C ATOM 1849 O SER A 112 -40.689 -0.946 -18.881 1.00 25.05 O ATOM 1850 CB SER A 112 -40.207 2.265 -18.155 1.00 3.24 C ATOM 1851 OG SER A 112 -39.844 3.189 -17.143 1.00 72.33 O ATOM 0 H SER A 112 -38.842 0.065 -19.754 1.00 23.24 H new ATOM 0 HA SER A 112 -38.960 0.942 -17.008 1.00 34.20 H new ATOM 0 HB2 SER A 112 -39.952 2.673 -19.133 1.00 3.24 H new ATOM 0 HB3 SER A 112 -41.286 2.114 -18.144 1.00 3.24 H new ATOM 0 HG SER A 112 -38.869 3.204 -17.048 1.00 72.33 H new ATOM 1857 N GLY A 113 -41.210 -0.329 -16.781 1.00 33.21 N ATOM 1858 CA GLY A 113 -42.210 -1.369 -16.630 1.00 13.34 C ATOM 1859 C GLY A 113 -43.595 -0.904 -17.036 1.00 31.51 C ATOM 1860 O GLY A 113 -44.592 -1.547 -16.709 1.00 62.13 O ATOM 0 H GLY A 113 -41.091 0.272 -15.966 1.00 33.21 H new ATOM 0 HA2 GLY A 113 -41.928 -2.231 -17.234 1.00 13.34 H new ATOM 0 HA3 GLY A 113 -42.231 -1.701 -15.592 1.00 13.34 H new ATOM 1864 N GLU A 114 -43.656 0.215 -17.749 1.00 52.42 N ATOM 1865 CA GLU A 114 -44.930 0.766 -18.198 1.00 20.23 C ATOM 1866 C GLU A 114 -44.769 1.497 -19.528 1.00 72.13 C ATOM 1867 O GLU A 114 -43.658 1.838 -19.930 1.00 24.12 O ATOM 1868 CB GLU A 114 -45.498 1.720 -17.145 1.00 62.12 C ATOM 1869 CG GLU A 114 -44.460 2.654 -16.547 1.00 42.43 C ATOM 1870 CD GLU A 114 -45.072 3.706 -15.643 1.00 75.23 C ATOM 1871 OE1 GLU A 114 -45.203 3.442 -14.430 1.00 4.02 O ATOM 1872 OE2 GLU A 114 -45.423 4.793 -16.149 1.00 42.12 O ATOM 0 H GLU A 114 -42.839 0.758 -18.029 1.00 52.42 H new ATOM 0 HA GLU A 114 -45.624 -0.062 -18.340 1.00 20.23 H new ATOM 0 HB2 GLU A 114 -46.292 2.315 -17.596 1.00 62.12 H new ATOM 0 HB3 GLU A 114 -45.953 1.136 -16.345 1.00 62.12 H new ATOM 0 HG2 GLU A 114 -43.736 2.070 -15.979 1.00 42.43 H new ATOM 0 HG3 GLU A 114 -43.913 3.146 -17.351 1.00 42.43 H new ATOM 1879 N ASN A 115 -45.887 1.732 -20.206 1.00 1.50 N ATOM 1880 CA ASN A 115 -45.871 2.421 -21.491 1.00 41.15 C ATOM 1881 C ASN A 115 -46.881 3.564 -21.509 1.00 14.24 C ATOM 1882 O ASN A 115 -47.342 3.985 -22.570 1.00 73.33 O ATOM 1883 CB ASN A 115 -46.177 1.439 -22.624 1.00 21.43 C ATOM 1884 CG ASN A 115 -45.349 1.712 -23.865 1.00 14.31 C ATOM 1885 OD1 ASN A 115 -45.883 1.818 -24.970 1.00 23.12 O ATOM 1886 ND2 ASN A 115 -44.039 1.827 -23.689 1.00 64.31 N ATOM 0 H ASN A 115 -46.816 1.456 -19.887 1.00 1.50 H new ATOM 0 HA ASN A 115 -44.875 2.838 -21.638 1.00 41.15 H new ATOM 0 HB2 ASN A 115 -45.988 0.422 -22.281 1.00 21.43 H new ATOM 0 HB3 ASN A 115 -47.236 1.498 -22.877 1.00 21.43 H new ATOM 0 HD21 ASN A 115 -43.431 2.011 -24.487 1.00 64.31 H new ATOM 0 HD22 ASN A 115 -43.640 1.732 -22.755 1.00 64.31 H new ATOM 1893 N THR A 116 -47.220 4.065 -20.325 1.00 53.21 N ATOM 1894 CA THR A 116 -48.176 5.159 -20.203 1.00 43.03 C ATOM 1895 C THR A 116 -48.222 5.691 -18.775 1.00 50.42 C ATOM 1896 O THR A 116 -47.560 5.162 -17.882 1.00 53.34 O ATOM 1897 CB THR A 116 -49.592 4.717 -20.621 1.00 3.51 C ATOM 1898 OG1 THR A 116 -50.448 5.860 -20.729 1.00 74.23 O ATOM 1899 CG2 THR A 116 -50.172 3.736 -19.614 1.00 72.14 C ATOM 0 H THR A 116 -46.847 3.730 -19.437 1.00 53.21 H new ATOM 0 HA THR A 116 -47.839 5.951 -20.872 1.00 43.03 H new ATOM 0 HB THR A 116 -49.524 4.221 -21.589 1.00 3.51 H new ATOM 0 HG1 THR A 116 -51.346 5.572 -20.997 1.00 74.23 H new ATOM 0 HG21 THR A 116 -51.172 3.438 -19.930 1.00 72.14 H new ATOM 0 HG22 THR A 116 -49.533 2.855 -19.555 1.00 72.14 H new ATOM 0 HG23 THR A 116 -50.228 4.211 -18.634 1.00 72.14 H new