USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=15 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 -114:sc= -3.16! USER MOD Set 1.2: A 112 SER OG : rot 180:sc= -0.643 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 35 CYS SG : rot -100:sc= 0.985 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.0525 (180deg=-0.33) USER MOD Single : A 51 TYR OH : rot 86:sc= 0.0323 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 61 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.45) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 85 THR OG1 : rot 67:sc= 0.133 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.3!) USER MOD Single : A 100 HIS : no HD1:sc= -2.43 K(o=-2.4,f=-3.2) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 178:sc= -1.44 USER MOD Single : A 115 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.27) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 471 N ASN A 29 -18.953 -2.273 -36.151 1.00 41.20 N ATOM 472 CA ASN A 29 -20.194 -2.653 -36.815 1.00 14.33 C ATOM 473 C ASN A 29 -21.342 -2.743 -35.813 1.00 41.11 C ATOM 474 O ASN A 29 -22.225 -3.590 -35.940 1.00 74.53 O ATOM 475 CB ASN A 29 -20.023 -3.993 -37.534 1.00 15.25 C ATOM 476 CG ASN A 29 -19.331 -3.845 -38.875 1.00 14.13 C ATOM 477 OD1 ASN A 29 -19.785 -3.096 -39.741 1.00 23.25 O ATOM 478 ND2 ASN A 29 -18.228 -4.562 -39.053 1.00 1.00 N ATOM 0 HA ASN A 29 -20.435 -1.883 -37.548 1.00 14.33 H new ATOM 0 HB2 ASN A 29 -19.446 -4.670 -36.903 1.00 15.25 H new ATOM 0 HB3 ASN A 29 -21.001 -4.451 -37.681 1.00 15.25 H new ATOM 0 HD21 ASN A 29 -17.720 -4.505 -39.936 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -17.889 -5.169 -38.307 1.00 1.00 H new ATOM 485 N ARG A 30 -21.320 -1.864 -34.817 1.00 34.15 N ATOM 486 CA ARG A 30 -22.358 -1.844 -33.792 1.00 73.32 C ATOM 487 C ARG A 30 -22.928 -0.439 -33.623 1.00 53.04 C ATOM 488 O ARG A 30 -22.417 0.522 -34.197 1.00 3.34 O ATOM 489 CB ARG A 30 -21.797 -2.343 -32.460 1.00 34.02 C ATOM 490 CG ARG A 30 -21.116 -1.258 -31.640 1.00 73.53 C ATOM 491 CD ARG A 30 -19.957 -0.634 -32.400 1.00 43.01 C ATOM 492 NE ARG A 30 -18.994 0.001 -31.503 1.00 61.12 N ATOM 493 CZ ARG A 30 -17.965 0.727 -31.924 1.00 3.50 C ATOM 494 NH1 ARG A 30 -17.766 0.910 -33.223 1.00 11.33 N ATOM 495 NH2 ARG A 30 -17.133 1.273 -31.047 1.00 2.14 N ATOM 0 H ARG A 30 -20.595 -1.156 -34.697 1.00 34.15 H new ATOM 0 HA ARG A 30 -23.162 -2.507 -34.111 1.00 73.32 H new ATOM 0 HB2 ARG A 30 -22.608 -2.775 -31.873 1.00 34.02 H new ATOM 0 HB3 ARG A 30 -21.082 -3.143 -32.653 1.00 34.02 H new ATOM 0 HG2 ARG A 30 -21.841 -0.486 -31.381 1.00 73.53 H new ATOM 0 HG3 ARG A 30 -20.753 -1.681 -30.703 1.00 73.53 H new ATOM 0 HD2 ARG A 30 -19.454 -1.402 -32.988 1.00 43.01 H new ATOM 0 HD3 ARG A 30 -20.340 0.106 -33.103 1.00 43.01 H new ATOM 0 HE ARG A 30 -19.119 -0.120 -30.498 1.00 61.12 H new ATOM 0 HH11 ARG A 30 -18.404 0.493 -33.900 1.00 11.33 H new ATOM 0 HH12 ARG A 30 -16.975 1.468 -33.544 1.00 11.33 H new ATOM 0 HH21 ARG A 30 -17.283 1.135 -30.048 1.00 2.14 H new ATOM 0 HH22 ARG A 30 -16.343 1.830 -31.372 1.00 2.14 H new ATOM 509 N ILE A 31 -23.990 -0.328 -32.832 1.00 33.40 N ATOM 510 CA ILE A 31 -24.630 0.959 -32.587 1.00 22.42 C ATOM 511 C ILE A 31 -24.581 1.323 -31.107 1.00 73.13 C ATOM 512 O ILE A 31 -24.984 0.548 -30.239 1.00 2.54 O ATOM 513 CB ILE A 31 -26.096 0.957 -33.057 1.00 50.42 C ATOM 514 CG1 ILE A 31 -26.751 -0.392 -32.753 1.00 51.13 C ATOM 515 CG2 ILE A 31 -26.176 1.268 -34.544 1.00 22.11 C ATOM 516 CD1 ILE A 31 -28.263 -0.345 -32.764 1.00 30.30 C ATOM 0 H ILE A 31 -24.426 -1.114 -32.350 1.00 33.40 H new ATOM 0 HA ILE A 31 -24.076 1.702 -33.160 1.00 22.42 H new ATOM 0 HB ILE A 31 -26.637 1.732 -32.514 1.00 50.42 H new ATOM 0 HG12 ILE A 31 -26.413 -1.124 -33.486 1.00 51.13 H new ATOM 0 HG13 ILE A 31 -26.413 -0.739 -31.776 1.00 51.13 H new ATOM 0 HG21 ILE A 31 -27.219 1.263 -34.861 1.00 22.11 H new ATOM 0 HG22 ILE A 31 -25.744 2.250 -34.734 1.00 22.11 H new ATOM 0 HG23 ILE A 31 -25.623 0.514 -35.104 1.00 22.11 H new ATOM 0 HD11 ILE A 31 -28.659 -1.336 -32.541 1.00 30.30 H new ATOM 0 HD12 ILE A 31 -28.610 0.363 -32.012 1.00 30.30 H new ATOM 0 HD13 ILE A 31 -28.610 -0.029 -33.748 1.00 30.30 H new ATOM 528 N PRO A 32 -24.080 2.531 -30.812 1.00 2.12 N ATOM 529 CA PRO A 32 -23.970 3.027 -29.437 1.00 41.01 C ATOM 530 C PRO A 32 -25.331 3.332 -28.820 1.00 42.52 C ATOM 531 O PRO A 32 -25.802 4.470 -28.862 1.00 23.03 O ATOM 532 CB PRO A 32 -23.151 4.312 -29.588 1.00 24.20 C ATOM 533 CG PRO A 32 -23.403 4.760 -30.986 1.00 24.40 C ATOM 534 CD PRO A 32 -23.582 3.505 -31.797 1.00 1.51 C ATOM 0 HA PRO A 32 -23.516 2.291 -28.773 1.00 41.01 H new ATOM 0 HB2 PRO A 32 -23.464 5.068 -28.868 1.00 24.20 H new ATOM 0 HB3 PRO A 32 -22.090 4.128 -29.416 1.00 24.20 H new ATOM 0 HG2 PRO A 32 -24.291 5.390 -31.040 1.00 24.40 H new ATOM 0 HG3 PRO A 32 -22.569 5.352 -31.362 1.00 24.40 H new ATOM 0 HD2 PRO A 32 -24.291 3.651 -32.612 1.00 1.51 H new ATOM 0 HD3 PRO A 32 -22.644 3.179 -32.246 1.00 1.51 H new ATOM 542 N VAL A 33 -25.958 2.311 -28.246 1.00 73.34 N ATOM 543 CA VAL A 33 -27.265 2.471 -27.619 1.00 50.04 C ATOM 544 C VAL A 33 -27.130 2.694 -26.117 1.00 44.24 C ATOM 545 O VAL A 33 -26.413 1.963 -25.433 1.00 41.54 O ATOM 546 CB VAL A 33 -28.160 1.243 -27.867 1.00 71.40 C ATOM 547 CG1 VAL A 33 -28.401 1.047 -29.356 1.00 21.04 C ATOM 548 CG2 VAL A 33 -27.539 -0.002 -27.251 1.00 5.21 C ATOM 0 H VAL A 33 -25.582 1.364 -28.202 1.00 73.34 H new ATOM 0 HA VAL A 33 -27.729 3.347 -28.073 1.00 50.04 H new ATOM 0 HB VAL A 33 -29.124 1.416 -27.388 1.00 71.40 H new ATOM 0 HG11 VAL A 33 -29.036 0.174 -29.510 1.00 21.04 H new ATOM 0 HG12 VAL A 33 -28.893 1.930 -29.764 1.00 21.04 H new ATOM 0 HG13 VAL A 33 -27.447 0.896 -29.862 1.00 21.04 H new ATOM 0 HG21 VAL A 33 -28.185 -0.860 -27.436 1.00 5.21 H new ATOM 0 HG22 VAL A 33 -26.561 -0.180 -27.699 1.00 5.21 H new ATOM 0 HG23 VAL A 33 -27.425 0.142 -26.177 1.00 5.21 H new ATOM 558 N ILE A 34 -27.825 3.707 -25.611 1.00 4.31 N ATOM 559 CA ILE A 34 -27.783 4.025 -24.189 1.00 1.23 C ATOM 560 C ILE A 34 -29.174 3.952 -23.568 1.00 72.55 C ATOM 561 O ILE A 34 -30.150 4.429 -24.149 1.00 61.20 O ATOM 562 CB ILE A 34 -27.196 5.428 -23.943 1.00 35.33 C ATOM 563 CG1 ILE A 34 -26.191 5.389 -22.790 1.00 20.21 C ATOM 564 CG2 ILE A 34 -28.310 6.423 -23.649 1.00 2.13 C ATOM 565 CD1 ILE A 34 -26.755 4.800 -21.516 1.00 44.41 C ATOM 0 H ILE A 34 -28.423 4.321 -26.164 1.00 4.31 H new ATOM 0 HA ILE A 34 -27.138 3.283 -23.718 1.00 1.23 H new ATOM 0 HB ILE A 34 -26.674 5.751 -24.844 1.00 35.33 H new ATOM 0 HG12 ILE A 34 -25.322 4.807 -23.096 1.00 20.21 H new ATOM 0 HG13 ILE A 34 -25.842 6.402 -22.589 1.00 20.21 H new ATOM 0 HG21 ILE A 34 -27.880 7.410 -23.477 1.00 2.13 H new ATOM 0 HG22 ILE A 34 -28.992 6.467 -24.498 1.00 2.13 H new ATOM 0 HG23 ILE A 34 -28.856 6.106 -22.761 1.00 2.13 H new ATOM 0 HD11 ILE A 34 -25.987 4.804 -20.742 1.00 44.41 H new ATOM 0 HD12 ILE A 34 -27.606 5.395 -21.186 1.00 44.41 H new ATOM 0 HD13 ILE A 34 -27.078 3.776 -21.701 1.00 44.41 H new ATOM 577 N CYS A 35 -29.257 3.353 -22.386 1.00 11.41 N ATOM 578 CA CYS A 35 -30.529 3.219 -21.685 1.00 72.53 C ATOM 579 C CYS A 35 -30.700 4.324 -20.648 1.00 24.42 C ATOM 580 O CYS A 35 -29.814 4.556 -19.825 1.00 31.34 O ATOM 581 CB CYS A 35 -30.620 1.849 -21.009 1.00 41.13 C ATOM 582 SG CYS A 35 -32.294 1.170 -20.941 1.00 35.42 S ATOM 0 H CYS A 35 -28.459 2.952 -21.893 1.00 11.41 H new ATOM 0 HA CYS A 35 -31.330 3.309 -22.418 1.00 72.53 H new ATOM 0 HB2 CYS A 35 -29.977 1.149 -21.542 1.00 41.13 H new ATOM 0 HB3 CYS A 35 -30.231 1.930 -19.994 1.00 41.13 H new ATOM 0 HG CYS A 35 -32.793 1.365 -19.757 1.00 35.42 H new ATOM 588 N GLU A 36 -31.841 5.002 -20.695 1.00 50.14 N ATOM 589 CA GLU A 36 -32.124 6.086 -19.761 1.00 35.51 C ATOM 590 C GLU A 36 -33.155 5.652 -18.722 1.00 21.12 C ATOM 591 O GLU A 36 -33.762 4.588 -18.839 1.00 71.45 O ATOM 592 CB GLU A 36 -32.630 7.318 -20.513 1.00 42.32 C ATOM 593 CG GLU A 36 -33.681 7.001 -21.563 1.00 52.55 C ATOM 594 CD GLU A 36 -34.515 8.212 -21.937 1.00 34.12 C ATOM 595 OE1 GLU A 36 -35.110 8.827 -21.027 1.00 21.12 O ATOM 596 OE2 GLU A 36 -34.573 8.543 -23.140 1.00 1.10 O ATOM 0 H GLU A 36 -32.585 4.821 -21.369 1.00 50.14 H new ATOM 0 HA GLU A 36 -31.197 6.339 -19.246 1.00 35.51 H new ATOM 0 HB2 GLU A 36 -33.047 8.025 -19.796 1.00 42.32 H new ATOM 0 HB3 GLU A 36 -31.786 7.812 -20.994 1.00 42.32 H new ATOM 0 HG2 GLU A 36 -33.192 6.612 -22.456 1.00 52.55 H new ATOM 0 HG3 GLU A 36 -34.336 6.214 -21.190 1.00 52.55 H new ATOM 603 N LYS A 37 -33.345 6.484 -17.703 1.00 71.32 N ATOM 604 CA LYS A 37 -34.301 6.189 -16.643 1.00 24.12 C ATOM 605 C LYS A 37 -35.401 7.244 -16.592 1.00 53.44 C ATOM 606 O LYS A 37 -35.168 8.377 -16.174 1.00 44.42 O ATOM 607 CB LYS A 37 -33.588 6.116 -15.290 1.00 44.11 C ATOM 608 CG LYS A 37 -32.598 7.245 -15.064 1.00 41.11 C ATOM 609 CD LYS A 37 -32.464 7.582 -13.588 1.00 22.22 C ATOM 610 CE LYS A 37 -33.640 8.412 -13.097 1.00 4.22 C ATOM 611 NZ LYS A 37 -33.506 9.845 -13.480 1.00 63.34 N ATOM 0 H LYS A 37 -32.849 7.368 -17.589 1.00 71.32 H new ATOM 0 HA LYS A 37 -34.758 5.223 -16.860 1.00 24.12 H new ATOM 0 HB2 LYS A 37 -34.333 6.132 -14.495 1.00 44.11 H new ATOM 0 HB3 LYS A 37 -33.063 5.163 -15.216 1.00 44.11 H new ATOM 0 HG2 LYS A 37 -31.624 6.962 -15.463 1.00 41.11 H new ATOM 0 HG3 LYS A 37 -32.922 8.130 -15.612 1.00 41.11 H new ATOM 0 HD2 LYS A 37 -32.400 6.661 -13.008 1.00 22.22 H new ATOM 0 HD3 LYS A 37 -31.536 8.129 -13.421 1.00 22.22 H new ATOM 0 HE2 LYS A 37 -34.565 8.011 -13.510 1.00 4.22 H new ATOM 0 HE3 LYS A 37 -33.714 8.331 -12.012 1.00 4.22 H new ATOM 0 HZ1 LYS A 37 -34.327 10.377 -13.127 1.00 63.34 H new ATOM 0 HZ2 LYS A 37 -32.636 10.235 -13.065 1.00 63.34 H new ATOM 0 HZ3 LYS A 37 -33.461 9.925 -14.516 1.00 63.34 H new ATOM 625 N ALA A 38 -36.600 6.864 -17.022 1.00 30.33 N ATOM 626 CA ALA A 38 -37.737 7.777 -17.022 1.00 65.55 C ATOM 627 C ALA A 38 -37.994 8.332 -15.626 1.00 10.30 C ATOM 628 O ALA A 38 -37.664 7.698 -14.626 1.00 34.24 O ATOM 629 CB ALA A 38 -38.978 7.073 -17.550 1.00 45.30 C ATOM 0 H ALA A 38 -36.809 5.930 -17.375 1.00 30.33 H new ATOM 0 HA ALA A 38 -37.501 8.614 -17.679 1.00 65.55 H new ATOM 0 HB1 ALA A 38 -39.819 7.766 -17.545 1.00 45.30 H new ATOM 0 HB2 ALA A 38 -38.796 6.731 -18.569 1.00 45.30 H new ATOM 0 HB3 ALA A 38 -39.209 6.217 -16.915 1.00 45.30 H new ATOM 635 N GLU A 39 -38.586 9.521 -15.568 1.00 52.24 N ATOM 636 CA GLU A 39 -38.887 10.163 -14.293 1.00 61.34 C ATOM 637 C GLU A 39 -40.224 9.677 -13.741 1.00 64.25 C ATOM 638 O GLU A 39 -40.640 10.072 -12.653 1.00 54.43 O ATOM 639 CB GLU A 39 -38.913 11.684 -14.456 1.00 42.20 C ATOM 640 CG GLU A 39 -39.837 12.163 -15.563 1.00 32.45 C ATOM 641 CD GLU A 39 -39.990 13.671 -15.584 1.00 42.11 C ATOM 642 OE1 GLU A 39 -40.069 14.276 -14.495 1.00 21.13 O ATOM 643 OE2 GLU A 39 -40.029 14.246 -16.692 1.00 51.12 O ATOM 0 H GLU A 39 -38.866 10.059 -16.388 1.00 52.24 H new ATOM 0 HA GLU A 39 -38.102 9.894 -13.586 1.00 61.34 H new ATOM 0 HB2 GLU A 39 -39.224 12.136 -13.514 1.00 42.20 H new ATOM 0 HB3 GLU A 39 -37.902 12.036 -14.661 1.00 42.20 H new ATOM 0 HG2 GLU A 39 -39.450 11.828 -16.525 1.00 32.45 H new ATOM 0 HG3 GLU A 39 -40.817 11.704 -15.437 1.00 32.45 H new ATOM 650 N LYS A 40 -40.893 8.817 -14.501 1.00 60.51 N ATOM 651 CA LYS A 40 -42.183 8.274 -14.090 1.00 63.21 C ATOM 652 C LYS A 40 -42.180 6.750 -14.162 1.00 3.13 C ATOM 653 O LYS A 40 -43.000 6.151 -14.858 1.00 64.13 O ATOM 654 CB LYS A 40 -43.299 8.835 -14.974 1.00 34.34 C ATOM 655 CG LYS A 40 -43.339 10.353 -15.014 1.00 31.33 C ATOM 656 CD LYS A 40 -44.534 10.899 -14.250 1.00 34.15 C ATOM 657 CE LYS A 40 -44.163 11.260 -12.819 1.00 73.44 C ATOM 658 NZ LYS A 40 -45.053 12.318 -12.266 1.00 15.11 N ATOM 0 H LYS A 40 -40.563 8.481 -15.406 1.00 60.51 H new ATOM 0 HA LYS A 40 -42.362 8.570 -13.056 1.00 63.21 H new ATOM 0 HB2 LYS A 40 -43.172 8.457 -15.988 1.00 34.34 H new ATOM 0 HB3 LYS A 40 -44.258 8.464 -14.613 1.00 34.34 H new ATOM 0 HG2 LYS A 40 -42.419 10.754 -14.588 1.00 31.33 H new ATOM 0 HG3 LYS A 40 -43.383 10.690 -16.050 1.00 31.33 H new ATOM 0 HD2 LYS A 40 -44.921 11.781 -14.760 1.00 34.15 H new ATOM 0 HD3 LYS A 40 -45.333 10.158 -14.244 1.00 34.15 H new ATOM 0 HE2 LYS A 40 -44.224 10.370 -12.192 1.00 73.44 H new ATOM 0 HE3 LYS A 40 -43.129 11.602 -12.787 1.00 73.44 H new ATOM 0 HZ1 LYS A 40 -44.768 12.536 -11.290 1.00 15.11 H new ATOM 0 HZ2 LYS A 40 -44.976 13.176 -12.849 1.00 15.11 H new ATOM 0 HZ3 LYS A 40 -46.037 11.982 -12.273 1.00 15.11 H new ATOM 672 N SER A 41 -41.255 6.130 -13.436 1.00 62.13 N ATOM 673 CA SER A 41 -41.145 4.676 -13.420 1.00 52.12 C ATOM 674 C SER A 41 -40.724 4.179 -12.040 1.00 72.44 C ATOM 675 O SER A 41 -39.911 4.806 -11.364 1.00 4.45 O ATOM 676 CB SER A 41 -40.138 4.207 -14.472 1.00 40.40 C ATOM 677 OG SER A 41 -40.048 5.135 -15.540 1.00 22.53 O ATOM 0 H SER A 41 -40.572 6.611 -12.852 1.00 62.13 H new ATOM 0 HA SER A 41 -42.125 4.260 -13.655 1.00 52.12 H new ATOM 0 HB2 SER A 41 -39.158 4.081 -14.012 1.00 40.40 H new ATOM 0 HB3 SER A 41 -40.437 3.232 -14.857 1.00 40.40 H new ATOM 0 HG SER A 41 -40.389 4.723 -16.361 1.00 22.53 H new ATOM 683 N ASP A 42 -41.286 3.046 -11.630 1.00 10.41 N ATOM 684 CA ASP A 42 -40.969 2.462 -10.332 1.00 50.33 C ATOM 685 C ASP A 42 -39.750 1.551 -10.429 1.00 23.33 C ATOM 686 O ASP A 42 -39.398 0.864 -9.469 1.00 73.14 O ATOM 687 CB ASP A 42 -42.167 1.678 -9.796 1.00 11.24 C ATOM 688 CG ASP A 42 -42.190 1.619 -8.281 1.00 52.25 C ATOM 689 OD1 ASP A 42 -41.431 2.381 -7.646 1.00 13.35 O ATOM 690 OD2 ASP A 42 -42.968 0.812 -7.731 1.00 12.42 O ATOM 0 H ASP A 42 -41.963 2.515 -12.178 1.00 10.41 H new ATOM 0 HA ASP A 42 -40.738 3.274 -9.642 1.00 50.33 H new ATOM 0 HB2 ASP A 42 -43.088 2.139 -10.153 1.00 11.24 H new ATOM 0 HB3 ASP A 42 -42.142 0.664 -10.196 1.00 11.24 H new ATOM 695 N ILE A 43 -39.111 1.547 -11.593 1.00 44.34 N ATOM 696 CA ILE A 43 -37.932 0.719 -11.815 1.00 43.52 C ATOM 697 C ILE A 43 -36.718 1.286 -11.086 1.00 45.24 C ATOM 698 O ILE A 43 -36.485 2.494 -11.062 1.00 12.22 O ATOM 699 CB ILE A 43 -37.604 0.597 -13.315 1.00 60.12 C ATOM 700 CG1 ILE A 43 -37.187 -0.836 -13.653 1.00 30.53 C ATOM 701 CG2 ILE A 43 -36.508 1.578 -13.701 1.00 12.14 C ATOM 702 CD1 ILE A 43 -37.623 -1.285 -15.029 1.00 71.25 C ATOM 0 H ILE A 43 -39.390 2.108 -12.398 1.00 44.34 H new ATOM 0 HA ILE A 43 -38.162 -0.270 -11.420 1.00 43.52 H new ATOM 0 HB ILE A 43 -38.499 0.840 -13.888 1.00 60.12 H new ATOM 0 HG12 ILE A 43 -36.102 -0.916 -13.581 1.00 30.53 H new ATOM 0 HG13 ILE A 43 -37.607 -1.513 -12.909 1.00 30.53 H new ATOM 0 HG21 ILE A 43 -36.289 1.479 -14.764 1.00 12.14 H new ATOM 0 HG22 ILE A 43 -36.840 2.595 -13.493 1.00 12.14 H new ATOM 0 HG23 ILE A 43 -35.609 1.365 -13.123 1.00 12.14 H new ATOM 0 HD11 ILE A 43 -37.293 -2.310 -15.199 1.00 71.25 H new ATOM 0 HD12 ILE A 43 -38.710 -1.237 -15.100 1.00 71.25 H new ATOM 0 HD13 ILE A 43 -37.181 -0.632 -15.782 1.00 71.25 H new ATOM 714 N PRO A 44 -35.922 0.393 -10.480 1.00 70.51 N ATOM 715 CA PRO A 44 -34.717 0.779 -9.740 1.00 52.43 C ATOM 716 C PRO A 44 -33.611 1.285 -10.660 1.00 44.43 C ATOM 717 O PRO A 44 -33.536 0.899 -11.826 1.00 4.22 O ATOM 718 CB PRO A 44 -34.289 -0.521 -9.055 1.00 14.04 C ATOM 719 CG PRO A 44 -34.850 -1.603 -9.911 1.00 61.41 C ATOM 720 CD PRO A 44 -36.139 -1.064 -10.468 1.00 60.13 C ATOM 0 HA PRO A 44 -34.909 1.598 -9.047 1.00 52.43 H new ATOM 0 HB2 PRO A 44 -33.204 -0.593 -8.986 1.00 14.04 H new ATOM 0 HB3 PRO A 44 -34.677 -0.579 -8.038 1.00 14.04 H new ATOM 0 HG2 PRO A 44 -34.158 -1.865 -10.712 1.00 61.41 H new ATOM 0 HG3 PRO A 44 -35.024 -2.509 -9.331 1.00 61.41 H new ATOM 0 HD2 PRO A 44 -36.337 -1.449 -11.468 1.00 60.13 H new ATOM 0 HD3 PRO A 44 -36.991 -1.338 -9.846 1.00 60.13 H new ATOM 728 N GLU A 45 -32.755 2.152 -10.128 1.00 4.25 N ATOM 729 CA GLU A 45 -31.653 2.711 -10.901 1.00 72.13 C ATOM 730 C GLU A 45 -30.835 1.604 -11.561 1.00 44.10 C ATOM 731 O GLU A 45 -30.177 0.815 -10.881 1.00 62.02 O ATOM 732 CB GLU A 45 -30.751 3.562 -10.006 1.00 23.14 C ATOM 733 CG GLU A 45 -30.051 4.691 -10.744 1.00 14.41 C ATOM 734 CD GLU A 45 -28.774 5.133 -10.057 1.00 62.41 C ATOM 735 OE1 GLU A 45 -28.618 4.845 -8.853 1.00 14.43 O ATOM 736 OE2 GLU A 45 -27.929 5.767 -10.725 1.00 30.10 O ATOM 0 H GLU A 45 -32.804 2.482 -9.164 1.00 4.25 H new ATOM 0 HA GLU A 45 -32.076 3.343 -11.682 1.00 72.13 H new ATOM 0 HB2 GLU A 45 -31.349 3.983 -9.198 1.00 23.14 H new ATOM 0 HB3 GLU A 45 -30.000 2.920 -9.546 1.00 23.14 H new ATOM 0 HG2 GLU A 45 -29.820 4.368 -11.759 1.00 14.41 H new ATOM 0 HG3 GLU A 45 -30.728 5.541 -10.826 1.00 14.41 H new ATOM 743 N ILE A 46 -30.881 1.552 -12.887 1.00 72.45 N ATOM 744 CA ILE A 46 -30.145 0.543 -13.638 1.00 65.52 C ATOM 745 C ILE A 46 -28.698 0.971 -13.861 1.00 74.53 C ATOM 746 O ILE A 46 -28.389 2.162 -13.885 1.00 3.45 O ATOM 747 CB ILE A 46 -30.803 0.265 -15.003 1.00 64.02 C ATOM 748 CG1 ILE A 46 -30.114 -0.913 -15.695 1.00 74.33 C ATOM 749 CG2 ILE A 46 -30.747 1.507 -15.880 1.00 5.01 C ATOM 750 CD1 ILE A 46 -30.819 -1.371 -16.952 1.00 72.42 C ATOM 0 H ILE A 46 -31.421 2.197 -13.464 1.00 72.45 H new ATOM 0 HA ILE A 46 -30.164 -0.370 -13.043 1.00 65.52 H new ATOM 0 HB ILE A 46 -31.849 0.005 -14.840 1.00 64.02 H new ATOM 0 HG12 ILE A 46 -29.091 -0.630 -15.944 1.00 74.33 H new ATOM 0 HG13 ILE A 46 -30.053 -1.748 -14.998 1.00 74.33 H new ATOM 0 HG21 ILE A 46 -31.216 1.295 -16.841 1.00 5.01 H new ATOM 0 HG22 ILE A 46 -31.278 2.323 -15.389 1.00 5.01 H new ATOM 0 HG23 ILE A 46 -29.707 1.794 -16.039 1.00 5.01 H new ATOM 0 HD11 ILE A 46 -30.275 -2.208 -17.389 1.00 72.42 H new ATOM 0 HD12 ILE A 46 -31.833 -1.685 -16.706 1.00 72.42 H new ATOM 0 HD13 ILE A 46 -30.857 -0.550 -17.668 1.00 72.42 H new ATOM 762 N ASP A 47 -27.816 -0.009 -14.026 1.00 31.23 N ATOM 763 CA ASP A 47 -26.401 0.266 -14.251 1.00 34.14 C ATOM 764 C ASP A 47 -26.185 0.929 -15.607 1.00 41.20 C ATOM 765 O ASP A 47 -25.898 0.260 -16.599 1.00 35.00 O ATOM 766 CB ASP A 47 -25.590 -1.027 -14.166 1.00 61.31 C ATOM 767 CG ASP A 47 -24.100 -0.769 -14.047 1.00 72.44 C ATOM 768 OD1 ASP A 47 -23.519 -0.202 -14.997 1.00 21.34 O ATOM 769 OD2 ASP A 47 -23.517 -1.134 -13.005 1.00 44.32 O ATOM 0 H ASP A 47 -28.055 -1.000 -14.008 1.00 31.23 H new ATOM 0 HA ASP A 47 -26.061 0.951 -13.474 1.00 34.14 H new ATOM 0 HB2 ASP A 47 -25.925 -1.607 -13.306 1.00 61.31 H new ATOM 0 HB3 ASP A 47 -25.782 -1.632 -15.052 1.00 61.31 H new ATOM 774 N LYS A 48 -26.326 2.250 -15.643 1.00 12.40 N ATOM 775 CA LYS A 48 -26.146 3.007 -16.876 1.00 64.51 C ATOM 776 C LYS A 48 -24.754 2.776 -17.458 1.00 74.40 C ATOM 777 O LYS A 48 -23.752 2.880 -16.752 1.00 23.32 O ATOM 778 CB LYS A 48 -26.362 4.499 -16.620 1.00 14.41 C ATOM 779 CG LYS A 48 -26.922 5.247 -17.817 1.00 44.32 C ATOM 780 CD LYS A 48 -28.231 5.940 -17.480 1.00 71.35 C ATOM 781 CE LYS A 48 -28.452 7.169 -18.349 1.00 64.13 C ATOM 782 NZ LYS A 48 -28.201 8.431 -17.599 1.00 31.02 N ATOM 0 H LYS A 48 -26.565 2.819 -14.831 1.00 12.40 H new ATOM 0 HA LYS A 48 -26.885 2.659 -17.597 1.00 64.51 H new ATOM 0 HB2 LYS A 48 -27.042 4.620 -15.776 1.00 14.41 H new ATOM 0 HB3 LYS A 48 -25.413 4.951 -16.332 1.00 14.41 H new ATOM 0 HG2 LYS A 48 -26.196 5.985 -18.158 1.00 44.32 H new ATOM 0 HG3 LYS A 48 -27.080 4.551 -18.641 1.00 44.32 H new ATOM 0 HD2 LYS A 48 -29.058 5.243 -17.616 1.00 71.35 H new ATOM 0 HD3 LYS A 48 -28.230 6.231 -16.430 1.00 71.35 H new ATOM 0 HE2 LYS A 48 -27.792 7.124 -19.216 1.00 64.13 H new ATOM 0 HE3 LYS A 48 -29.475 7.168 -18.726 1.00 64.13 H new ATOM 0 HZ1 LYS A 48 -28.362 9.245 -18.226 1.00 31.02 H new ATOM 0 HZ2 LYS A 48 -28.848 8.486 -16.786 1.00 31.02 H new ATOM 0 HZ3 LYS A 48 -27.218 8.444 -17.261 1.00 31.02 H new ATOM 796 N ARG A 49 -24.702 2.463 -18.749 1.00 31.22 N ATOM 797 CA ARG A 49 -23.434 2.219 -19.424 1.00 23.43 C ATOM 798 C ARG A 49 -23.655 1.927 -20.906 1.00 24.11 C ATOM 799 O ARG A 49 -24.776 1.659 -21.337 1.00 14.14 O ATOM 800 CB ARG A 49 -22.699 1.049 -18.767 1.00 71.12 C ATOM 801 CG ARG A 49 -21.402 1.452 -18.084 1.00 23.53 C ATOM 802 CD ARG A 49 -20.290 1.687 -19.094 1.00 61.33 C ATOM 803 NE ARG A 49 -20.101 3.106 -19.379 1.00 52.22 N ATOM 804 CZ ARG A 49 -19.530 3.956 -18.533 1.00 10.21 C ATOM 805 NH1 ARG A 49 -19.095 3.532 -17.355 1.00 64.02 N ATOM 806 NH2 ARG A 49 -19.394 5.234 -18.864 1.00 43.32 N ATOM 0 H ARG A 49 -25.523 2.373 -19.347 1.00 31.22 H new ATOM 0 HA ARG A 49 -22.824 3.118 -19.335 1.00 23.43 H new ATOM 0 HB2 ARG A 49 -23.357 0.583 -18.033 1.00 71.12 H new ATOM 0 HB3 ARG A 49 -22.482 0.296 -19.524 1.00 71.12 H new ATOM 0 HG2 ARG A 49 -21.563 2.359 -17.501 1.00 23.53 H new ATOM 0 HG3 ARG A 49 -21.101 0.673 -17.384 1.00 23.53 H new ATOM 0 HD2 ARG A 49 -19.359 1.267 -18.713 1.00 61.33 H new ATOM 0 HD3 ARG A 49 -20.523 1.159 -20.019 1.00 61.33 H new ATOM 0 HE ARG A 49 -20.425 3.465 -20.277 1.00 52.22 H new ATOM 0 HH11 ARG A 49 -19.198 2.551 -17.096 1.00 64.02 H new ATOM 0 HH12 ARG A 49 -18.657 4.187 -16.707 1.00 64.02 H new ATOM 0 HH21 ARG A 49 -19.728 5.565 -19.769 1.00 43.32 H new ATOM 0 HH22 ARG A 49 -18.955 5.885 -18.213 1.00 43.32 H new ATOM 820 N LYS A 50 -22.577 1.980 -21.681 1.00 2.41 N ATOM 821 CA LYS A 50 -22.650 1.721 -23.113 1.00 41.33 C ATOM 822 C LYS A 50 -23.012 0.264 -23.385 1.00 45.14 C ATOM 823 O LYS A 50 -22.306 -0.650 -22.959 1.00 72.33 O ATOM 824 CB LYS A 50 -21.317 2.060 -23.784 1.00 12.35 C ATOM 825 CG LYS A 50 -21.172 3.530 -24.141 1.00 22.21 C ATOM 826 CD LYS A 50 -20.520 4.315 -23.016 1.00 3.41 C ATOM 827 CE LYS A 50 -19.032 4.013 -22.915 1.00 11.03 C ATOM 828 NZ LYS A 50 -18.286 4.493 -24.110 1.00 0.10 N ATOM 0 H LYS A 50 -21.641 2.200 -21.340 1.00 2.41 H new ATOM 0 HA LYS A 50 -23.431 2.356 -23.531 1.00 41.33 H new ATOM 0 HB2 LYS A 50 -20.502 1.774 -23.119 1.00 12.35 H new ATOM 0 HB3 LYS A 50 -21.214 1.463 -24.690 1.00 12.35 H new ATOM 0 HG2 LYS A 50 -20.575 3.628 -25.048 1.00 22.21 H new ATOM 0 HG3 LYS A 50 -22.154 3.951 -24.358 1.00 22.21 H new ATOM 0 HD2 LYS A 50 -20.665 5.382 -23.184 1.00 3.41 H new ATOM 0 HD3 LYS A 50 -21.007 4.072 -22.072 1.00 3.41 H new ATOM 0 HE2 LYS A 50 -18.626 4.484 -22.020 1.00 11.03 H new ATOM 0 HE3 LYS A 50 -18.886 2.939 -22.804 1.00 11.03 H new ATOM 0 HZ1 LYS A 50 -17.274 4.568 -23.881 1.00 0.10 H new ATOM 0 HZ2 LYS A 50 -18.415 3.820 -24.893 1.00 0.10 H new ATOM 0 HZ3 LYS A 50 -18.647 5.426 -24.393 1.00 0.10 H new ATOM 842 N TYR A 51 -24.114 0.056 -24.098 1.00 2.23 N ATOM 843 CA TYR A 51 -24.568 -1.290 -24.426 1.00 52.31 C ATOM 844 C TYR A 51 -24.153 -1.676 -25.842 1.00 13.22 C ATOM 845 O TYR A 51 -24.761 -1.239 -26.821 1.00 32.24 O ATOM 846 CB TYR A 51 -26.089 -1.384 -24.284 1.00 65.41 C ATOM 847 CG TYR A 51 -26.579 -1.188 -22.868 1.00 2.14 C ATOM 848 CD1 TYR A 51 -26.447 -2.195 -21.919 1.00 45.02 C ATOM 849 CD2 TYR A 51 -27.172 0.006 -22.477 1.00 31.04 C ATOM 850 CE1 TYR A 51 -26.894 -2.019 -20.624 1.00 3.32 C ATOM 851 CE2 TYR A 51 -27.621 0.192 -21.183 1.00 64.33 C ATOM 852 CZ TYR A 51 -27.480 -0.824 -20.261 1.00 50.01 C ATOM 853 OH TYR A 51 -27.925 -0.644 -18.971 1.00 74.41 O ATOM 0 H TYR A 51 -24.709 0.802 -24.459 1.00 2.23 H new ATOM 0 HA TYR A 51 -24.100 -1.985 -23.729 1.00 52.31 H new ATOM 0 HB2 TYR A 51 -26.552 -0.635 -24.927 1.00 65.41 H new ATOM 0 HB3 TYR A 51 -26.419 -2.359 -24.642 1.00 65.41 H new ATOM 0 HD1 TYR A 51 -25.987 -3.131 -22.199 1.00 45.02 H new ATOM 0 HD2 TYR A 51 -27.284 0.803 -23.197 1.00 31.04 H new ATOM 0 HE1 TYR A 51 -26.785 -2.813 -19.900 1.00 3.32 H new ATOM 0 HE2 TYR A 51 -28.079 1.127 -20.896 1.00 64.33 H new ATOM 0 HH TYR A 51 -27.185 -0.329 -18.411 1.00 74.41 H new ATOM 863 N LEU A 52 -23.113 -2.497 -25.944 1.00 15.30 N ATOM 864 CA LEU A 52 -22.616 -2.943 -27.240 1.00 65.10 C ATOM 865 C LEU A 52 -23.657 -3.795 -27.959 1.00 42.13 C ATOM 866 O LEU A 52 -23.704 -5.013 -27.786 1.00 54.21 O ATOM 867 CB LEU A 52 -21.322 -3.740 -27.064 1.00 31.31 C ATOM 868 CG LEU A 52 -20.029 -2.923 -27.030 1.00 71.14 C ATOM 869 CD1 LEU A 52 -19.798 -2.236 -28.368 1.00 74.52 C ATOM 870 CD2 LEU A 52 -20.073 -1.901 -25.904 1.00 50.14 C ATOM 0 H LEU A 52 -22.598 -2.867 -25.145 1.00 15.30 H new ATOM 0 HA LEU A 52 -22.413 -2.061 -27.847 1.00 65.10 H new ATOM 0 HB2 LEU A 52 -21.393 -4.309 -26.137 1.00 31.31 H new ATOM 0 HB3 LEU A 52 -21.250 -4.462 -27.877 1.00 31.31 H new ATOM 0 HG LEU A 52 -19.197 -3.602 -26.844 1.00 71.14 H new ATOM 0 HD11 LEU A 52 -18.874 -1.659 -28.326 1.00 74.52 H new ATOM 0 HD12 LEU A 52 -19.722 -2.987 -29.154 1.00 74.52 H new ATOM 0 HD13 LEU A 52 -20.633 -1.569 -28.583 1.00 74.52 H new ATOM 0 HD21 LEU A 52 -19.145 -1.329 -25.895 1.00 50.14 H new ATOM 0 HD22 LEU A 52 -20.914 -1.225 -26.059 1.00 50.14 H new ATOM 0 HD23 LEU A 52 -20.191 -2.415 -24.950 1.00 50.14 H new ATOM 882 N VAL A 53 -24.487 -3.146 -28.769 1.00 11.44 N ATOM 883 CA VAL A 53 -25.526 -3.844 -29.517 1.00 52.02 C ATOM 884 C VAL A 53 -25.213 -3.857 -31.010 1.00 14.14 C ATOM 885 O VAL A 53 -24.974 -2.819 -31.628 1.00 4.40 O ATOM 886 CB VAL A 53 -26.907 -3.197 -29.299 1.00 25.12 C ATOM 887 CG1 VAL A 53 -27.934 -3.796 -30.247 1.00 24.40 C ATOM 888 CG2 VAL A 53 -27.347 -3.357 -27.852 1.00 71.32 C ATOM 0 H VAL A 53 -24.460 -2.138 -28.924 1.00 11.44 H new ATOM 0 HA VAL A 53 -25.550 -4.868 -29.144 1.00 52.02 H new ATOM 0 HB VAL A 53 -26.828 -2.132 -29.515 1.00 25.12 H new ATOM 0 HG11 VAL A 53 -28.903 -3.326 -30.078 1.00 24.40 H new ATOM 0 HG12 VAL A 53 -27.622 -3.624 -31.277 1.00 24.40 H new ATOM 0 HG13 VAL A 53 -28.014 -4.868 -30.067 1.00 24.40 H new ATOM 0 HG21 VAL A 53 -28.324 -2.894 -27.716 1.00 71.32 H new ATOM 0 HG22 VAL A 53 -27.410 -4.417 -27.606 1.00 71.32 H new ATOM 0 HG23 VAL A 53 -26.622 -2.875 -27.196 1.00 71.32 H new ATOM 898 N PRO A 54 -25.215 -5.058 -31.604 1.00 60.30 N ATOM 899 CA PRO A 54 -24.933 -5.236 -33.032 1.00 35.13 C ATOM 900 C PRO A 54 -26.050 -4.689 -33.915 1.00 34.15 C ATOM 901 O PRO A 54 -27.208 -4.628 -33.502 1.00 33.23 O ATOM 902 CB PRO A 54 -24.825 -6.756 -33.186 1.00 10.41 C ATOM 903 CG PRO A 54 -25.639 -7.308 -32.067 1.00 71.40 C ATOM 904 CD PRO A 54 -25.491 -6.337 -30.929 1.00 31.42 C ATOM 0 HA PRO A 54 -24.037 -4.698 -33.341 1.00 35.13 H new ATOM 0 HB2 PRO A 54 -25.207 -7.084 -34.153 1.00 10.41 H new ATOM 0 HB3 PRO A 54 -23.789 -7.088 -33.123 1.00 10.41 H new ATOM 0 HG2 PRO A 54 -26.684 -7.411 -32.359 1.00 71.40 H new ATOM 0 HG3 PRO A 54 -25.288 -8.300 -31.782 1.00 71.40 H new ATOM 0 HD2 PRO A 54 -26.397 -6.285 -30.325 1.00 31.42 H new ATOM 0 HD3 PRO A 54 -24.678 -6.622 -30.261 1.00 31.42 H new ATOM 912 N ALA A 55 -25.695 -4.292 -35.133 1.00 14.04 N ATOM 913 CA ALA A 55 -26.668 -3.753 -36.075 1.00 4.24 C ATOM 914 C ALA A 55 -27.617 -4.841 -36.566 1.00 3.21 C ATOM 915 O ALA A 55 -28.541 -4.571 -37.334 1.00 45.42 O ATOM 916 CB ALA A 55 -25.957 -3.098 -37.249 1.00 75.04 C ATOM 0 H ALA A 55 -24.741 -4.334 -35.490 1.00 14.04 H new ATOM 0 HA ALA A 55 -27.261 -2.999 -35.558 1.00 4.24 H new ATOM 0 HB1 ALA A 55 -26.695 -2.700 -37.945 1.00 75.04 H new ATOM 0 HB2 ALA A 55 -25.326 -2.287 -36.886 1.00 75.04 H new ATOM 0 HB3 ALA A 55 -25.340 -3.837 -37.759 1.00 75.04 H new ATOM 922 N ASP A 56 -27.383 -6.069 -36.121 1.00 34.52 N ATOM 923 CA ASP A 56 -28.217 -7.198 -36.515 1.00 75.31 C ATOM 924 C ASP A 56 -29.127 -7.629 -35.369 1.00 31.00 C ATOM 925 O ASP A 56 -29.800 -8.658 -35.448 1.00 44.03 O ATOM 926 CB ASP A 56 -27.346 -8.373 -36.960 1.00 64.45 C ATOM 927 CG ASP A 56 -26.088 -7.923 -37.676 1.00 4.03 C ATOM 928 OD1 ASP A 56 -25.067 -7.691 -36.994 1.00 52.30 O ATOM 929 OD2 ASP A 56 -26.123 -7.803 -38.918 1.00 23.13 O ATOM 0 H ASP A 56 -26.622 -6.309 -35.486 1.00 34.52 H new ATOM 0 HA ASP A 56 -28.841 -6.881 -37.351 1.00 75.31 H new ATOM 0 HB2 ASP A 56 -27.072 -8.968 -36.089 1.00 64.45 H new ATOM 0 HB3 ASP A 56 -27.924 -9.021 -37.619 1.00 64.45 H new ATOM 934 N LEU A 57 -29.142 -6.836 -34.303 1.00 31.15 N ATOM 935 CA LEU A 57 -29.969 -7.136 -33.139 1.00 11.33 C ATOM 936 C LEU A 57 -31.424 -6.752 -33.390 1.00 25.21 C ATOM 937 O LEU A 57 -31.736 -6.061 -34.361 1.00 34.33 O ATOM 938 CB LEU A 57 -29.440 -6.395 -31.909 1.00 40.30 C ATOM 939 CG LEU A 57 -29.913 -6.920 -30.553 1.00 54.32 C ATOM 940 CD1 LEU A 57 -28.736 -7.096 -29.608 1.00 51.01 C ATOM 941 CD2 LEU A 57 -30.949 -5.981 -29.950 1.00 1.22 C ATOM 0 H LEU A 57 -28.592 -5.981 -34.221 1.00 31.15 H new ATOM 0 HA LEU A 57 -29.922 -8.210 -32.958 1.00 11.33 H new ATOM 0 HB2 LEU A 57 -28.351 -6.430 -31.930 1.00 40.30 H new ATOM 0 HB3 LEU A 57 -29.727 -5.347 -31.990 1.00 40.30 H new ATOM 0 HG LEU A 57 -30.378 -7.894 -30.704 1.00 54.32 H new ATOM 0 HD11 LEU A 57 -29.093 -7.470 -28.648 1.00 51.01 H new ATOM 0 HD12 LEU A 57 -28.030 -7.808 -30.035 1.00 51.01 H new ATOM 0 HD13 LEU A 57 -28.240 -6.136 -29.462 1.00 51.01 H new ATOM 0 HD21 LEU A 57 -31.275 -6.370 -28.985 1.00 1.22 H new ATOM 0 HD22 LEU A 57 -30.509 -4.993 -29.813 1.00 1.22 H new ATOM 0 HD23 LEU A 57 -31.806 -5.907 -30.619 1.00 1.22 H new ATOM 953 N THR A 58 -32.310 -7.205 -32.509 1.00 12.04 N ATOM 954 CA THR A 58 -33.732 -6.909 -32.635 1.00 20.24 C ATOM 955 C THR A 58 -34.308 -6.409 -31.315 1.00 3.32 C ATOM 956 O THR A 58 -33.764 -6.681 -30.245 1.00 23.13 O ATOM 957 CB THR A 58 -34.525 -8.148 -33.091 1.00 30.32 C ATOM 958 OG1 THR A 58 -34.442 -9.176 -32.098 1.00 53.31 O ATOM 959 CG2 THR A 58 -33.994 -8.672 -34.416 1.00 42.05 C ATOM 0 H THR A 58 -32.068 -7.778 -31.701 1.00 12.04 H new ATOM 0 HA THR A 58 -33.827 -6.128 -33.389 1.00 20.24 H new ATOM 0 HB THR A 58 -35.567 -7.856 -33.225 1.00 30.32 H new ATOM 0 HG1 THR A 58 -34.950 -9.959 -32.395 1.00 53.31 H new ATOM 0 HG21 THR A 58 -34.569 -9.547 -34.718 1.00 42.05 H new ATOM 0 HG22 THR A 58 -34.086 -7.897 -35.177 1.00 42.05 H new ATOM 0 HG23 THR A 58 -32.945 -8.948 -34.304 1.00 42.05 H new ATOM 967 N VAL A 59 -35.413 -5.675 -31.397 1.00 74.51 N ATOM 968 CA VAL A 59 -36.065 -5.139 -30.209 1.00 52.11 C ATOM 969 C VAL A 59 -36.294 -6.228 -29.167 1.00 72.43 C ATOM 970 O VAL A 59 -35.986 -6.050 -27.990 1.00 24.15 O ATOM 971 CB VAL A 59 -37.416 -4.485 -30.556 1.00 4.41 C ATOM 972 CG1 VAL A 59 -38.134 -4.037 -29.292 1.00 33.23 C ATOM 973 CG2 VAL A 59 -37.212 -3.314 -31.506 1.00 33.13 C ATOM 0 H VAL A 59 -35.875 -5.438 -32.275 1.00 74.51 H new ATOM 0 HA VAL A 59 -35.397 -4.382 -29.798 1.00 52.11 H new ATOM 0 HB VAL A 59 -38.040 -5.226 -31.056 1.00 4.41 H new ATOM 0 HG11 VAL A 59 -39.086 -3.578 -29.558 1.00 33.23 H new ATOM 0 HG12 VAL A 59 -38.314 -4.900 -28.651 1.00 33.23 H new ATOM 0 HG13 VAL A 59 -37.517 -3.312 -28.761 1.00 33.23 H new ATOM 0 HG21 VAL A 59 -38.176 -2.864 -31.741 1.00 33.13 H new ATOM 0 HG22 VAL A 59 -36.569 -2.570 -31.034 1.00 33.13 H new ATOM 0 HG23 VAL A 59 -36.744 -3.668 -32.424 1.00 33.13 H new ATOM 983 N GLY A 60 -36.836 -7.359 -29.611 1.00 20.15 N ATOM 984 CA GLY A 60 -37.096 -8.462 -28.704 1.00 73.22 C ATOM 985 C GLY A 60 -35.835 -8.975 -28.038 1.00 4.41 C ATOM 986 O GLY A 60 -35.825 -9.242 -26.836 1.00 54.25 O ATOM 0 H GLY A 60 -37.099 -7.531 -30.581 1.00 20.15 H new ATOM 0 HA2 GLY A 60 -37.802 -8.140 -27.939 1.00 73.22 H new ATOM 0 HA3 GLY A 60 -37.570 -9.276 -29.253 1.00 73.22 H new ATOM 990 N GLN A 61 -34.769 -9.114 -28.820 1.00 11.44 N ATOM 991 CA GLN A 61 -33.498 -9.600 -28.298 1.00 22.42 C ATOM 992 C GLN A 61 -33.010 -8.725 -27.148 1.00 34.42 C ATOM 993 O GLN A 61 -32.576 -9.229 -26.111 1.00 43.22 O ATOM 994 CB GLN A 61 -32.446 -9.636 -29.408 1.00 10.12 C ATOM 995 CG GLN A 61 -31.348 -10.661 -29.175 1.00 34.33 C ATOM 996 CD GLN A 61 -30.169 -10.477 -30.108 1.00 21.41 C ATOM 997 OE1 GLN A 61 -29.030 -10.320 -29.665 1.00 75.12 O ATOM 998 NE2 GLN A 61 -30.435 -10.495 -31.410 1.00 12.45 N ATOM 0 H GLN A 61 -34.761 -8.897 -29.817 1.00 11.44 H new ATOM 0 HA GLN A 61 -33.653 -10.611 -27.921 1.00 22.42 H new ATOM 0 HB2 GLN A 61 -32.938 -9.853 -30.356 1.00 10.12 H new ATOM 0 HB3 GLN A 61 -31.995 -8.648 -29.501 1.00 10.12 H new ATOM 0 HG2 GLN A 61 -31.004 -10.591 -28.143 1.00 34.33 H new ATOM 0 HG3 GLN A 61 -31.758 -11.662 -29.307 1.00 34.33 H new ATOM 0 HE21 GLN A 61 -31.393 -10.628 -31.733 1.00 12.45 H new ATOM 0 HE22 GLN A 61 -29.681 -10.376 -32.086 1.00 12.45 H new ATOM 1007 N PHE A 62 -33.085 -7.412 -27.337 1.00 63.34 N ATOM 1008 CA PHE A 62 -32.650 -6.466 -26.316 1.00 73.12 C ATOM 1009 C PHE A 62 -33.558 -6.532 -25.092 1.00 11.15 C ATOM 1010 O PHE A 62 -33.086 -6.559 -23.955 1.00 62.04 O ATOM 1011 CB PHE A 62 -32.638 -5.044 -26.880 1.00 65.15 C ATOM 1012 CG PHE A 62 -31.850 -4.076 -26.047 1.00 5.44 C ATOM 1013 CD1 PHE A 62 -32.273 -3.731 -24.773 1.00 21.20 C ATOM 1014 CD2 PHE A 62 -30.684 -3.508 -26.537 1.00 25.54 C ATOM 1015 CE1 PHE A 62 -31.549 -2.840 -24.003 1.00 74.43 C ATOM 1016 CE2 PHE A 62 -29.956 -2.617 -25.771 1.00 32.10 C ATOM 1017 CZ PHE A 62 -30.390 -2.282 -24.504 1.00 3.50 C ATOM 0 H PHE A 62 -33.443 -6.979 -28.188 1.00 63.34 H new ATOM 0 HA PHE A 62 -31.639 -6.737 -26.012 1.00 73.12 H new ATOM 0 HB2 PHE A 62 -32.224 -5.065 -27.888 1.00 65.15 H new ATOM 0 HB3 PHE A 62 -33.664 -4.687 -26.965 1.00 65.15 H new ATOM 0 HD1 PHE A 62 -33.180 -4.164 -24.377 1.00 21.20 H new ATOM 0 HD2 PHE A 62 -30.341 -3.765 -27.528 1.00 25.54 H new ATOM 0 HE1 PHE A 62 -31.889 -2.581 -23.011 1.00 74.43 H new ATOM 0 HE2 PHE A 62 -29.048 -2.183 -26.163 1.00 32.10 H new ATOM 0 HZ PHE A 62 -29.823 -1.584 -23.905 1.00 3.50 H new ATOM 1027 N VAL A 63 -34.865 -6.557 -25.332 1.00 31.43 N ATOM 1028 CA VAL A 63 -35.841 -6.621 -24.250 1.00 25.32 C ATOM 1029 C VAL A 63 -35.613 -7.850 -23.377 1.00 42.41 C ATOM 1030 O VAL A 63 -35.817 -7.807 -22.163 1.00 22.14 O ATOM 1031 CB VAL A 63 -37.281 -6.651 -24.794 1.00 45.52 C ATOM 1032 CG1 VAL A 63 -38.281 -6.755 -23.653 1.00 42.13 C ATOM 1033 CG2 VAL A 63 -37.555 -5.419 -25.643 1.00 10.42 C ATOM 0 H VAL A 63 -35.273 -6.534 -26.267 1.00 31.43 H new ATOM 0 HA VAL A 63 -35.707 -5.722 -23.649 1.00 25.32 H new ATOM 0 HB VAL A 63 -37.394 -7.532 -25.426 1.00 45.52 H new ATOM 0 HG11 VAL A 63 -39.293 -6.775 -24.057 1.00 42.13 H new ATOM 0 HG12 VAL A 63 -38.097 -7.670 -23.090 1.00 42.13 H new ATOM 0 HG13 VAL A 63 -38.171 -5.895 -22.993 1.00 42.13 H new ATOM 0 HG21 VAL A 63 -38.577 -5.457 -26.019 1.00 10.42 H new ATOM 0 HG22 VAL A 63 -37.424 -4.523 -25.037 1.00 10.42 H new ATOM 0 HG23 VAL A 63 -36.860 -5.394 -26.482 1.00 10.42 H new ATOM 1043 N TYR A 64 -35.190 -8.942 -24.001 1.00 62.24 N ATOM 1044 CA TYR A 64 -34.937 -10.185 -23.282 1.00 21.34 C ATOM 1045 C TYR A 64 -33.674 -10.074 -22.432 1.00 73.12 C ATOM 1046 O TYR A 64 -33.559 -10.711 -21.384 1.00 43.44 O ATOM 1047 CB TYR A 64 -34.804 -11.350 -24.263 1.00 44.04 C ATOM 1048 CG TYR A 64 -36.124 -11.998 -24.617 1.00 0.23 C ATOM 1049 CD1 TYR A 64 -36.955 -12.509 -23.628 1.00 14.13 C ATOM 1050 CD2 TYR A 64 -36.538 -12.101 -25.939 1.00 71.20 C ATOM 1051 CE1 TYR A 64 -38.162 -13.103 -23.945 1.00 10.44 C ATOM 1052 CE2 TYR A 64 -37.743 -12.691 -26.265 1.00 32.31 C ATOM 1053 CZ TYR A 64 -38.551 -13.191 -25.265 1.00 72.44 C ATOM 1054 OH TYR A 64 -39.752 -13.782 -25.587 1.00 14.45 O ATOM 0 H TYR A 64 -35.015 -8.993 -25.005 1.00 62.24 H new ATOM 0 HA TYR A 64 -35.784 -10.371 -22.621 1.00 21.34 H new ATOM 0 HB2 TYR A 64 -34.328 -10.992 -25.176 1.00 44.04 H new ATOM 0 HB3 TYR A 64 -34.143 -12.103 -23.833 1.00 44.04 H new ATOM 0 HD1 TYR A 64 -36.653 -12.441 -22.593 1.00 14.13 H new ATOM 0 HD2 TYR A 64 -35.907 -11.713 -26.725 1.00 71.20 H new ATOM 0 HE1 TYR A 64 -38.796 -13.496 -23.164 1.00 10.44 H new ATOM 0 HE2 TYR A 64 -38.051 -12.761 -27.298 1.00 32.31 H new ATOM 0 HH TYR A 64 -39.876 -13.762 -26.559 1.00 14.45 H new ATOM 1064 N VAL A 65 -32.729 -9.261 -22.892 1.00 23.31 N ATOM 1065 CA VAL A 65 -31.475 -9.064 -22.175 1.00 33.11 C ATOM 1066 C VAL A 65 -31.672 -8.163 -20.960 1.00 64.14 C ATOM 1067 O VAL A 65 -31.037 -8.356 -19.924 1.00 5.33 O ATOM 1068 CB VAL A 65 -30.397 -8.449 -23.088 1.00 14.11 C ATOM 1069 CG1 VAL A 65 -29.284 -7.828 -22.256 1.00 52.44 C ATOM 1070 CG2 VAL A 65 -29.842 -9.500 -24.037 1.00 2.50 C ATOM 0 H VAL A 65 -32.808 -8.728 -23.758 1.00 23.31 H new ATOM 0 HA VAL A 65 -31.142 -10.048 -21.844 1.00 33.11 H new ATOM 0 HB VAL A 65 -30.856 -7.660 -23.684 1.00 14.11 H new ATOM 0 HG11 VAL A 65 -28.532 -7.399 -22.917 1.00 52.44 H new ATOM 0 HG12 VAL A 65 -29.698 -7.045 -21.621 1.00 52.44 H new ATOM 0 HG13 VAL A 65 -28.824 -8.595 -21.633 1.00 52.44 H new ATOM 0 HG21 VAL A 65 -29.082 -9.049 -24.675 1.00 2.50 H new ATOM 0 HG22 VAL A 65 -29.398 -10.312 -23.461 1.00 2.50 H new ATOM 0 HG23 VAL A 65 -30.648 -9.893 -24.656 1.00 2.50 H new ATOM 1080 N ILE A 66 -32.555 -7.181 -21.097 1.00 53.41 N ATOM 1081 CA ILE A 66 -32.836 -6.251 -20.010 1.00 34.33 C ATOM 1082 C ILE A 66 -33.145 -6.995 -18.716 1.00 72.42 C ATOM 1083 O ILE A 66 -32.674 -6.618 -17.642 1.00 55.44 O ATOM 1084 CB ILE A 66 -34.020 -5.327 -20.352 1.00 54.03 C ATOM 1085 CG1 ILE A 66 -33.549 -4.160 -21.222 1.00 1.42 C ATOM 1086 CG2 ILE A 66 -34.677 -4.814 -19.080 1.00 21.23 C ATOM 1087 CD1 ILE A 66 -32.982 -3.004 -20.427 1.00 54.23 C ATOM 0 H ILE A 66 -33.088 -7.008 -21.949 1.00 53.41 H new ATOM 0 HA ILE A 66 -31.940 -5.646 -19.873 1.00 34.33 H new ATOM 0 HB ILE A 66 -34.758 -5.900 -20.913 1.00 54.03 H new ATOM 0 HG12 ILE A 66 -32.790 -4.519 -21.917 1.00 1.42 H new ATOM 0 HG13 ILE A 66 -34.387 -3.802 -21.821 1.00 1.42 H new ATOM 0 HG21 ILE A 66 -35.512 -4.163 -19.339 1.00 21.23 H new ATOM 0 HG22 ILE A 66 -35.043 -5.657 -18.494 1.00 21.23 H new ATOM 0 HG23 ILE A 66 -33.948 -4.254 -18.494 1.00 21.23 H new ATOM 0 HD11 ILE A 66 -32.668 -2.213 -21.108 1.00 54.23 H new ATOM 0 HD12 ILE A 66 -33.745 -2.619 -19.750 1.00 54.23 H new ATOM 0 HD13 ILE A 66 -32.124 -3.346 -19.849 1.00 54.23 H new ATOM 1099 N ARG A 67 -33.938 -8.057 -18.825 1.00 53.33 N ATOM 1100 CA ARG A 67 -34.309 -8.856 -17.664 1.00 13.53 C ATOM 1101 C ARG A 67 -33.070 -9.326 -16.907 1.00 45.14 C ATOM 1102 O ARG A 67 -33.073 -9.411 -15.680 1.00 23.03 O ATOM 1103 CB ARG A 67 -35.145 -10.063 -18.094 1.00 12.14 C ATOM 1104 CG ARG A 67 -36.624 -9.752 -18.258 1.00 52.12 C ATOM 1105 CD ARG A 67 -37.452 -11.022 -18.374 1.00 44.12 C ATOM 1106 NE ARG A 67 -37.683 -11.646 -17.074 1.00 45.44 N ATOM 1107 CZ ARG A 67 -38.043 -12.915 -16.922 1.00 12.05 C ATOM 1108 NH1 ARG A 67 -38.211 -13.692 -17.983 1.00 62.44 N ATOM 1109 NH2 ARG A 67 -38.235 -13.410 -15.706 1.00 60.13 N ATOM 0 H ARG A 67 -34.335 -8.383 -19.706 1.00 53.33 H new ATOM 0 HA ARG A 67 -34.903 -8.229 -16.999 1.00 13.53 H new ATOM 0 HB2 ARG A 67 -34.756 -10.446 -19.037 1.00 12.14 H new ATOM 0 HB3 ARG A 67 -35.029 -10.856 -17.356 1.00 12.14 H new ATOM 0 HG2 ARG A 67 -36.970 -9.167 -17.406 1.00 52.12 H new ATOM 0 HG3 ARG A 67 -36.771 -9.138 -19.147 1.00 52.12 H new ATOM 0 HD2 ARG A 67 -38.410 -10.789 -18.839 1.00 44.12 H new ATOM 0 HD3 ARG A 67 -36.942 -11.728 -19.030 1.00 44.12 H new ATOM 0 HE ARG A 67 -37.561 -11.076 -16.237 1.00 45.44 H new ATOM 0 HH11 ARG A 67 -38.064 -13.315 -18.919 1.00 62.44 H new ATOM 0 HH12 ARG A 67 -38.488 -14.666 -17.863 1.00 62.44 H new ATOM 0 HH21 ARG A 67 -38.106 -12.816 -14.887 1.00 60.13 H new ATOM 0 HH22 ARG A 67 -38.512 -14.385 -15.590 1.00 60.13 H new ATOM 1123 N LYS A 68 -32.011 -9.630 -17.650 1.00 62.33 N ATOM 1124 CA LYS A 68 -30.763 -10.091 -17.053 1.00 10.04 C ATOM 1125 C LYS A 68 -29.954 -8.918 -16.510 1.00 13.35 C ATOM 1126 O LYS A 68 -29.087 -9.093 -15.654 1.00 4.22 O ATOM 1127 CB LYS A 68 -29.935 -10.863 -18.082 1.00 72.14 C ATOM 1128 CG LYS A 68 -28.842 -11.719 -17.466 1.00 4.54 C ATOM 1129 CD LYS A 68 -29.397 -13.022 -16.916 1.00 44.34 C ATOM 1130 CE LYS A 68 -28.503 -13.593 -15.826 1.00 33.33 C ATOM 1131 NZ LYS A 68 -28.839 -15.011 -15.520 1.00 34.43 N ATOM 0 H LYS A 68 -31.992 -9.565 -18.668 1.00 62.33 H new ATOM 0 HA LYS A 68 -31.010 -10.754 -16.224 1.00 10.04 H new ATOM 0 HB2 LYS A 68 -30.599 -11.501 -18.665 1.00 72.14 H new ATOM 0 HB3 LYS A 68 -29.482 -10.155 -18.776 1.00 72.14 H new ATOM 0 HG2 LYS A 68 -28.081 -11.935 -18.216 1.00 4.54 H new ATOM 0 HG3 LYS A 68 -28.352 -11.165 -16.666 1.00 4.54 H new ATOM 0 HD2 LYS A 68 -30.397 -12.853 -16.516 1.00 44.34 H new ATOM 0 HD3 LYS A 68 -29.495 -13.747 -17.724 1.00 44.34 H new ATOM 0 HE2 LYS A 68 -27.461 -13.526 -16.139 1.00 33.33 H new ATOM 0 HE3 LYS A 68 -28.604 -12.993 -14.922 1.00 33.33 H new ATOM 0 HZ1 LYS A 68 -28.208 -15.364 -14.773 1.00 34.43 H new ATOM 0 HZ2 LYS A 68 -29.826 -15.072 -15.197 1.00 34.43 H new ATOM 0 HZ3 LYS A 68 -28.718 -15.589 -16.376 1.00 34.43 H new ATOM 1145 N ARG A 69 -30.245 -7.722 -17.011 1.00 25.00 N ATOM 1146 CA ARG A 69 -29.544 -6.520 -16.576 1.00 52.52 C ATOM 1147 C ARG A 69 -30.055 -6.055 -15.216 1.00 54.44 C ATOM 1148 O ARG A 69 -29.270 -5.720 -14.328 1.00 44.42 O ATOM 1149 CB ARG A 69 -29.715 -5.402 -17.607 1.00 32.24 C ATOM 1150 CG ARG A 69 -28.760 -4.237 -17.407 1.00 70.33 C ATOM 1151 CD ARG A 69 -27.311 -4.671 -17.570 1.00 74.14 C ATOM 1152 NE ARG A 69 -26.700 -5.031 -16.294 1.00 42.32 N ATOM 1153 CZ ARG A 69 -25.434 -5.414 -16.168 1.00 2.20 C ATOM 1154 NH1 ARG A 69 -24.650 -5.486 -17.235 1.00 32.13 N ATOM 1155 NH2 ARG A 69 -24.951 -5.724 -14.972 1.00 65.43 N ATOM 0 H ARG A 69 -30.961 -7.560 -17.719 1.00 25.00 H new ATOM 0 HA ARG A 69 -28.485 -6.761 -16.484 1.00 52.52 H new ATOM 0 HB2 ARG A 69 -29.567 -5.814 -18.605 1.00 32.24 H new ATOM 0 HB3 ARG A 69 -30.740 -5.032 -17.563 1.00 32.24 H new ATOM 0 HG2 ARG A 69 -28.988 -3.450 -18.126 1.00 70.33 H new ATOM 0 HG3 ARG A 69 -28.905 -3.813 -16.413 1.00 70.33 H new ATOM 0 HD2 ARG A 69 -27.262 -5.523 -18.248 1.00 74.14 H new ATOM 0 HD3 ARG A 69 -26.741 -3.864 -18.030 1.00 74.14 H new ATOM 0 HE ARG A 69 -27.276 -4.986 -15.454 1.00 42.32 H new ATOM 0 HH11 ARG A 69 -25.018 -5.247 -18.156 1.00 32.13 H new ATOM 0 HH12 ARG A 69 -23.679 -5.780 -17.135 1.00 32.13 H new ATOM 0 HH21 ARG A 69 -25.552 -5.668 -14.149 1.00 65.43 H new ATOM 0 HH22 ARG A 69 -23.979 -6.018 -14.875 1.00 65.43 H new ATOM 1169 N ILE A 70 -31.375 -6.036 -15.060 1.00 22.53 N ATOM 1170 CA ILE A 70 -31.990 -5.614 -13.808 1.00 43.32 C ATOM 1171 C ILE A 70 -32.355 -6.815 -12.942 1.00 53.31 C ATOM 1172 O ILE A 70 -32.760 -6.661 -11.790 1.00 74.03 O ATOM 1173 CB ILE A 70 -33.255 -4.771 -14.059 1.00 63.10 C ATOM 1174 CG1 ILE A 70 -33.043 -3.837 -15.252 1.00 20.42 C ATOM 1175 CG2 ILE A 70 -33.617 -3.976 -12.814 1.00 40.11 C ATOM 1176 CD1 ILE A 70 -34.224 -2.933 -15.528 1.00 75.21 C ATOM 0 H ILE A 70 -32.039 -6.308 -15.785 1.00 22.53 H new ATOM 0 HA ILE A 70 -31.254 -5.003 -13.285 1.00 43.32 H new ATOM 0 HB ILE A 70 -34.082 -5.443 -14.290 1.00 63.10 H new ATOM 0 HG12 ILE A 70 -32.161 -3.223 -15.071 1.00 20.42 H new ATOM 0 HG13 ILE A 70 -32.838 -4.435 -16.140 1.00 20.42 H new ATOM 0 HG21 ILE A 70 -34.513 -3.386 -13.007 1.00 40.11 H new ATOM 0 HG22 ILE A 70 -33.805 -4.661 -11.987 1.00 40.11 H new ATOM 0 HG23 ILE A 70 -32.793 -3.311 -12.554 1.00 40.11 H new ATOM 0 HD11 ILE A 70 -34.004 -2.299 -16.387 1.00 75.21 H new ATOM 0 HD12 ILE A 70 -35.104 -3.539 -15.741 1.00 75.21 H new ATOM 0 HD13 ILE A 70 -34.416 -2.309 -14.655 1.00 75.21 H new ATOM 1188 N MET A 71 -32.208 -8.010 -13.505 1.00 13.21 N ATOM 1189 CA MET A 71 -32.520 -9.237 -12.782 1.00 53.44 C ATOM 1190 C MET A 71 -33.940 -9.194 -12.225 1.00 74.24 C ATOM 1191 O MET A 71 -34.245 -9.842 -11.224 1.00 33.34 O ATOM 1192 CB MET A 71 -31.521 -9.453 -11.644 1.00 74.11 C ATOM 1193 CG MET A 71 -30.092 -9.086 -12.013 1.00 11.43 C ATOM 1194 SD MET A 71 -28.922 -9.436 -10.687 1.00 41.42 S ATOM 1195 CE MET A 71 -29.037 -7.927 -9.727 1.00 35.10 C ATOM 0 H MET A 71 -31.875 -8.154 -14.458 1.00 13.21 H new ATOM 0 HA MET A 71 -32.448 -10.069 -13.482 1.00 53.44 H new ATOM 0 HB2 MET A 71 -31.829 -8.860 -10.783 1.00 74.11 H new ATOM 0 HB3 MET A 71 -31.552 -10.499 -11.338 1.00 74.11 H new ATOM 0 HG2 MET A 71 -29.798 -9.637 -12.906 1.00 11.43 H new ATOM 0 HG3 MET A 71 -30.046 -8.026 -12.263 1.00 11.43 H new ATOM 0 HE1 MET A 71 -28.369 -7.990 -8.868 1.00 35.10 H new ATOM 0 HE2 MET A 71 -28.751 -7.078 -10.348 1.00 35.10 H new ATOM 0 HE3 MET A 71 -30.062 -7.794 -9.380 1.00 35.10 H new ATOM 1205 N LEU A 72 -34.805 -8.428 -12.880 1.00 43.31 N ATOM 1206 CA LEU A 72 -36.193 -8.300 -12.451 1.00 61.01 C ATOM 1207 C LEU A 72 -36.870 -9.666 -12.385 1.00 1.44 C ATOM 1208 O LEU A 72 -36.706 -10.511 -13.265 1.00 12.21 O ATOM 1209 CB LEU A 72 -36.961 -7.383 -13.405 1.00 72.30 C ATOM 1210 CG LEU A 72 -38.083 -6.553 -12.780 1.00 12.25 C ATOM 1211 CD1 LEU A 72 -37.539 -5.673 -11.665 1.00 61.42 C ATOM 1212 CD2 LEU A 72 -38.774 -5.708 -13.840 1.00 52.50 C ATOM 0 H LEU A 72 -34.569 -7.886 -13.711 1.00 43.31 H new ATOM 0 HA LEU A 72 -36.200 -7.862 -11.453 1.00 61.01 H new ATOM 0 HB2 LEU A 72 -36.250 -6.702 -13.874 1.00 72.30 H new ATOM 0 HB3 LEU A 72 -37.388 -7.995 -14.200 1.00 72.30 H new ATOM 0 HG LEU A 72 -38.818 -7.234 -12.351 1.00 12.25 H new ATOM 0 HD11 LEU A 72 -38.352 -5.090 -11.232 1.00 61.42 H new ATOM 0 HD12 LEU A 72 -37.091 -6.299 -10.893 1.00 61.42 H new ATOM 0 HD13 LEU A 72 -36.784 -4.999 -12.069 1.00 61.42 H new ATOM 0 HD21 LEU A 72 -39.570 -5.124 -13.378 1.00 52.50 H new ATOM 0 HD22 LEU A 72 -38.049 -5.035 -14.298 1.00 52.50 H new ATOM 0 HD23 LEU A 72 -39.199 -6.359 -14.604 1.00 52.50 H new ATOM 1224 N PRO A 73 -37.652 -9.888 -11.318 1.00 1.33 N ATOM 1225 CA PRO A 73 -38.372 -11.148 -11.113 1.00 30.43 C ATOM 1226 C PRO A 73 -39.512 -11.333 -12.108 1.00 62.31 C ATOM 1227 O PRO A 73 -39.929 -10.399 -12.791 1.00 41.52 O ATOM 1228 CB PRO A 73 -38.921 -11.015 -9.689 1.00 63.22 C ATOM 1229 CG PRO A 73 -39.026 -9.547 -9.459 1.00 71.11 C ATOM 1230 CD PRO A 73 -37.893 -8.925 -10.229 1.00 30.32 C ATOM 0 HA PRO A 73 -37.726 -12.014 -11.257 1.00 30.43 H new ATOM 0 HB2 PRO A 73 -39.892 -11.501 -9.592 1.00 63.22 H new ATOM 0 HB3 PRO A 73 -38.256 -11.483 -8.963 1.00 63.22 H new ATOM 0 HG2 PRO A 73 -39.987 -9.166 -9.803 1.00 71.11 H new ATOM 0 HG3 PRO A 73 -38.952 -9.312 -8.397 1.00 71.11 H new ATOM 0 HD2 PRO A 73 -38.161 -7.941 -10.614 1.00 30.32 H new ATOM 0 HD3 PRO A 73 -37.008 -8.793 -9.606 1.00 30.32 H new ATOM 1238 N PRO A 74 -40.029 -12.568 -12.194 1.00 51.43 N ATOM 1239 CA PRO A 74 -41.128 -12.904 -13.104 1.00 0.35 C ATOM 1240 C PRO A 74 -42.449 -12.274 -12.674 1.00 22.44 C ATOM 1241 O PRO A 74 -43.365 -12.121 -13.481 1.00 31.15 O ATOM 1242 CB PRO A 74 -41.209 -14.430 -13.013 1.00 20.12 C ATOM 1243 CG PRO A 74 -40.643 -14.761 -11.676 1.00 43.32 C ATOM 1244 CD PRO A 74 -39.580 -13.730 -11.409 1.00 73.21 C ATOM 0 HA PRO A 74 -40.951 -12.532 -14.113 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -42.238 -14.778 -13.104 1.00 20.12 H new ATOM 0 HB3 PRO A 74 -40.640 -14.905 -13.812 1.00 20.12 H new ATOM 0 HG2 PRO A 74 -41.415 -14.733 -10.907 1.00 43.32 H new ATOM 0 HG3 PRO A 74 -40.222 -15.766 -11.668 1.00 43.32 H new ATOM 0 HD2 PRO A 74 -39.506 -13.494 -10.347 1.00 73.21 H new ATOM 0 HD3 PRO A 74 -38.596 -14.075 -11.728 1.00 73.21 H new ATOM 1252 N GLU A 75 -42.539 -11.912 -11.397 1.00 62.41 N ATOM 1253 CA GLU A 75 -43.749 -11.299 -10.861 1.00 54.15 C ATOM 1254 C GLU A 75 -44.180 -10.110 -11.715 1.00 34.23 C ATOM 1255 O GLU A 75 -45.372 -9.839 -11.866 1.00 22.04 O ATOM 1256 CB GLU A 75 -43.523 -10.849 -9.417 1.00 1.45 C ATOM 1257 CG GLU A 75 -43.280 -11.998 -8.452 1.00 44.23 C ATOM 1258 CD GLU A 75 -42.862 -11.524 -7.074 1.00 15.42 C ATOM 1259 OE1 GLU A 75 -43.531 -10.619 -6.531 1.00 35.12 O ATOM 1260 OE2 GLU A 75 -41.868 -12.055 -6.539 1.00 31.44 O ATOM 0 H GLU A 75 -41.789 -12.033 -10.716 1.00 62.41 H new ATOM 0 HA GLU A 75 -44.543 -12.045 -10.881 1.00 54.15 H new ATOM 0 HB2 GLU A 75 -42.669 -10.173 -9.386 1.00 1.45 H new ATOM 0 HB3 GLU A 75 -44.391 -10.282 -9.082 1.00 1.45 H new ATOM 0 HG2 GLU A 75 -44.188 -12.594 -8.367 1.00 44.23 H new ATOM 0 HG3 GLU A 75 -42.507 -12.651 -8.858 1.00 44.23 H new ATOM 1267 N LYS A 76 -43.202 -9.403 -12.271 1.00 33.20 N ATOM 1268 CA LYS A 76 -43.479 -8.243 -13.111 1.00 3.42 C ATOM 1269 C LYS A 76 -42.712 -8.329 -14.427 1.00 0.32 C ATOM 1270 O LYS A 76 -41.912 -9.241 -14.631 1.00 1.13 O ATOM 1271 CB LYS A 76 -43.105 -6.955 -12.374 1.00 10.51 C ATOM 1272 CG LYS A 76 -43.993 -6.659 -11.178 1.00 11.53 C ATOM 1273 CD LYS A 76 -44.245 -5.168 -11.026 1.00 4.11 C ATOM 1274 CE LYS A 76 -44.913 -4.847 -9.697 1.00 73.54 C ATOM 1275 NZ LYS A 76 -44.899 -3.387 -9.407 1.00 0.33 N ATOM 0 H LYS A 76 -42.211 -9.613 -12.155 1.00 33.20 H new ATOM 0 HA LYS A 76 -44.546 -8.232 -13.333 1.00 3.42 H new ATOM 0 HB2 LYS A 76 -42.070 -7.025 -12.039 1.00 10.51 H new ATOM 0 HB3 LYS A 76 -43.158 -6.119 -13.071 1.00 10.51 H new ATOM 0 HG2 LYS A 76 -44.944 -7.180 -11.292 1.00 11.53 H new ATOM 0 HG3 LYS A 76 -43.525 -7.044 -10.272 1.00 11.53 H new ATOM 0 HD2 LYS A 76 -43.300 -4.629 -11.099 1.00 4.11 H new ATOM 0 HD3 LYS A 76 -44.875 -4.819 -11.844 1.00 4.11 H new ATOM 0 HE2 LYS A 76 -45.943 -5.204 -9.713 1.00 73.54 H new ATOM 0 HE3 LYS A 76 -44.402 -5.381 -8.896 1.00 73.54 H new ATOM 0 HZ1 LYS A 76 -45.363 -3.210 -8.493 1.00 0.33 H new ATOM 0 HZ2 LYS A 76 -43.916 -3.050 -9.367 1.00 0.33 H new ATOM 0 HZ3 LYS A 76 -45.408 -2.879 -10.158 1.00 0.33 H new ATOM 1289 N ALA A 77 -42.963 -7.372 -15.315 1.00 62.31 N ATOM 1290 CA ALA A 77 -42.293 -7.339 -16.610 1.00 32.31 C ATOM 1291 C ALA A 77 -42.027 -5.904 -17.053 1.00 73.13 C ATOM 1292 O ALA A 77 -42.664 -4.968 -16.570 1.00 0.14 O ATOM 1293 CB ALA A 77 -43.125 -8.070 -17.653 1.00 70.44 C ATOM 0 H ALA A 77 -43.624 -6.611 -15.162 1.00 62.31 H new ATOM 0 HA ALA A 77 -41.333 -7.844 -16.508 1.00 32.31 H new ATOM 0 HB1 ALA A 77 -42.613 -8.038 -18.615 1.00 70.44 H new ATOM 0 HB2 ALA A 77 -43.260 -9.108 -17.349 1.00 70.44 H new ATOM 0 HB3 ALA A 77 -44.099 -7.589 -17.744 1.00 70.44 H new ATOM 1299 N ILE A 78 -41.084 -5.739 -17.973 1.00 64.52 N ATOM 1300 CA ILE A 78 -40.735 -4.419 -18.481 1.00 63.43 C ATOM 1301 C ILE A 78 -40.477 -4.458 -19.984 1.00 25.32 C ATOM 1302 O ILE A 78 -40.323 -5.530 -20.571 1.00 20.12 O ATOM 1303 CB ILE A 78 -39.490 -3.854 -17.773 1.00 4.25 C ATOM 1304 CG1 ILE A 78 -38.421 -4.940 -17.628 1.00 74.44 C ATOM 1305 CG2 ILE A 78 -39.866 -3.289 -16.411 1.00 23.24 C ATOM 1306 CD1 ILE A 78 -37.113 -4.430 -17.065 1.00 33.23 C ATOM 0 H ILE A 78 -40.547 -6.504 -18.382 1.00 64.52 H new ATOM 0 HA ILE A 78 -41.586 -3.768 -18.277 1.00 63.43 H new ATOM 0 HB ILE A 78 -39.081 -3.046 -18.380 1.00 4.25 H new ATOM 0 HG12 ILE A 78 -38.802 -5.730 -16.981 1.00 74.44 H new ATOM 0 HG13 ILE A 78 -38.236 -5.389 -18.604 1.00 74.44 H new ATOM 0 HG21 ILE A 78 -38.975 -2.893 -15.923 1.00 23.24 H new ATOM 0 HG22 ILE A 78 -40.596 -2.489 -16.538 1.00 23.24 H new ATOM 0 HG23 ILE A 78 -40.296 -4.079 -15.796 1.00 23.24 H new ATOM 0 HD11 ILE A 78 -36.403 -5.254 -16.990 1.00 33.23 H new ATOM 0 HD12 ILE A 78 -36.709 -3.661 -17.723 1.00 33.23 H new ATOM 0 HD13 ILE A 78 -37.283 -4.007 -16.075 1.00 33.23 H new ATOM 1318 N PHE A 79 -40.427 -3.282 -20.601 1.00 72.10 N ATOM 1319 CA PHE A 79 -40.186 -3.182 -22.036 1.00 15.54 C ATOM 1320 C PHE A 79 -39.439 -1.895 -22.373 1.00 22.25 C ATOM 1321 O PHE A 79 -39.460 -0.933 -21.604 1.00 41.21 O ATOM 1322 CB PHE A 79 -41.510 -3.231 -22.801 1.00 64.55 C ATOM 1323 CG PHE A 79 -42.652 -2.589 -22.067 1.00 2.31 C ATOM 1324 CD1 PHE A 79 -43.443 -3.330 -21.205 1.00 21.34 C ATOM 1325 CD2 PHE A 79 -42.935 -1.243 -22.239 1.00 4.43 C ATOM 1326 CE1 PHE A 79 -44.494 -2.742 -20.526 1.00 72.23 C ATOM 1327 CE2 PHE A 79 -43.984 -0.649 -21.564 1.00 32.33 C ATOM 1328 CZ PHE A 79 -44.765 -1.400 -20.707 1.00 73.11 C ATOM 0 H PHE A 79 -40.550 -2.386 -20.130 1.00 72.10 H new ATOM 0 HA PHE A 79 -39.569 -4.029 -22.336 1.00 15.54 H new ATOM 0 HB2 PHE A 79 -41.383 -2.735 -23.763 1.00 64.55 H new ATOM 0 HB3 PHE A 79 -41.762 -4.271 -23.009 1.00 64.55 H new ATOM 0 HD1 PHE A 79 -43.236 -4.380 -21.061 1.00 21.34 H new ATOM 0 HD2 PHE A 79 -42.328 -0.652 -22.909 1.00 4.43 H new ATOM 0 HE1 PHE A 79 -45.102 -3.331 -19.855 1.00 72.23 H new ATOM 0 HE2 PHE A 79 -44.193 0.401 -21.706 1.00 32.33 H new ATOM 0 HZ PHE A 79 -45.586 -0.938 -20.179 1.00 73.11 H new ATOM 1338 N ILE A 80 -38.778 -1.886 -23.525 1.00 63.20 N ATOM 1339 CA ILE A 80 -38.024 -0.718 -23.964 1.00 32.40 C ATOM 1340 C ILE A 80 -38.690 -0.053 -25.164 1.00 63.31 C ATOM 1341 O ILE A 80 -39.093 -0.724 -26.115 1.00 41.31 O ATOM 1342 CB ILE A 80 -36.576 -1.090 -24.336 1.00 33.22 C ATOM 1343 CG1 ILE A 80 -36.077 -2.234 -23.451 1.00 71.10 C ATOM 1344 CG2 ILE A 80 -35.667 0.123 -24.206 1.00 14.51 C ATOM 1345 CD1 ILE A 80 -36.168 -1.936 -21.970 1.00 63.31 C ATOM 0 H ILE A 80 -38.749 -2.674 -24.172 1.00 63.20 H new ATOM 0 HA ILE A 80 -38.008 -0.020 -23.127 1.00 32.40 H new ATOM 0 HB ILE A 80 -36.557 -1.424 -25.374 1.00 33.22 H new ATOM 0 HG12 ILE A 80 -36.657 -3.131 -23.669 1.00 71.10 H new ATOM 0 HG13 ILE A 80 -35.040 -2.454 -23.706 1.00 71.10 H new ATOM 0 HG21 ILE A 80 -34.648 -0.156 -24.472 1.00 14.51 H new ATOM 0 HG22 ILE A 80 -36.014 0.911 -24.875 1.00 14.51 H new ATOM 0 HG23 ILE A 80 -35.687 0.484 -23.178 1.00 14.51 H new ATOM 0 HD11 ILE A 80 -35.798 -2.790 -21.404 1.00 63.31 H new ATOM 0 HD12 ILE A 80 -35.565 -1.058 -21.738 1.00 63.31 H new ATOM 0 HD13 ILE A 80 -37.207 -1.745 -21.700 1.00 63.31 H new ATOM 1357 N PHE A 81 -38.801 1.270 -25.114 1.00 1.32 N ATOM 1358 CA PHE A 81 -39.418 2.028 -26.196 1.00 63.44 C ATOM 1359 C PHE A 81 -38.517 3.177 -26.638 1.00 21.34 C ATOM 1360 O PHE A 81 -37.781 3.748 -25.833 1.00 11.04 O ATOM 1361 CB PHE A 81 -40.779 2.571 -25.757 1.00 11.24 C ATOM 1362 CG PHE A 81 -40.683 3.723 -24.799 1.00 40.44 C ATOM 1363 CD1 PHE A 81 -40.550 5.021 -25.267 1.00 63.42 C ATOM 1364 CD2 PHE A 81 -40.725 3.510 -23.430 1.00 53.14 C ATOM 1365 CE1 PHE A 81 -40.462 6.085 -24.388 1.00 70.24 C ATOM 1366 CE2 PHE A 81 -40.638 4.570 -22.547 1.00 65.40 C ATOM 1367 CZ PHE A 81 -40.505 5.859 -23.027 1.00 22.31 C ATOM 0 H PHE A 81 -38.471 1.840 -24.335 1.00 1.32 H new ATOM 0 HA PHE A 81 -39.560 1.355 -27.042 1.00 63.44 H new ATOM 0 HB2 PHE A 81 -41.337 2.887 -26.639 1.00 11.24 H new ATOM 0 HB3 PHE A 81 -41.349 1.767 -25.291 1.00 11.24 H new ATOM 0 HD1 PHE A 81 -40.515 5.204 -26.331 1.00 63.42 H new ATOM 0 HD2 PHE A 81 -40.827 2.505 -23.049 1.00 53.14 H new ATOM 0 HE1 PHE A 81 -40.360 7.092 -24.766 1.00 70.24 H new ATOM 0 HE2 PHE A 81 -40.674 4.391 -21.483 1.00 65.40 H new ATOM 0 HZ PHE A 81 -40.435 6.688 -22.338 1.00 22.31 H new ATOM 1377 N VAL A 82 -38.580 3.510 -27.923 1.00 43.43 N ATOM 1378 CA VAL A 82 -37.771 4.592 -28.473 1.00 23.44 C ATOM 1379 C VAL A 82 -38.647 5.659 -29.120 1.00 64.51 C ATOM 1380 O VAL A 82 -39.652 5.348 -29.757 1.00 44.11 O ATOM 1381 CB VAL A 82 -36.765 4.067 -29.515 1.00 10.13 C ATOM 1382 CG1 VAL A 82 -35.545 3.472 -28.826 1.00 42.03 C ATOM 1383 CG2 VAL A 82 -37.427 3.042 -30.424 1.00 3.25 C ATOM 0 H VAL A 82 -39.183 3.046 -28.603 1.00 43.43 H new ATOM 0 HA VAL A 82 -37.223 5.032 -27.640 1.00 23.44 H new ATOM 0 HB VAL A 82 -36.434 4.904 -30.130 1.00 10.13 H new ATOM 0 HG11 VAL A 82 -34.845 3.106 -29.577 1.00 42.03 H new ATOM 0 HG12 VAL A 82 -35.060 4.237 -28.220 1.00 42.03 H new ATOM 0 HG13 VAL A 82 -35.855 2.646 -28.186 1.00 42.03 H new ATOM 0 HG21 VAL A 82 -36.702 2.681 -31.154 1.00 3.25 H new ATOM 0 HG22 VAL A 82 -37.787 2.205 -29.826 1.00 3.25 H new ATOM 0 HG23 VAL A 82 -38.266 3.505 -30.944 1.00 3.25 H new ATOM 1393 N ASN A 83 -38.256 6.918 -28.953 1.00 54.02 N ATOM 1394 CA ASN A 83 -39.006 8.032 -29.522 1.00 40.42 C ATOM 1395 C ASN A 83 -40.479 7.951 -29.135 1.00 13.15 C ATOM 1396 O ASN A 83 -41.363 8.146 -29.970 1.00 20.42 O ATOM 1397 CB ASN A 83 -38.867 8.042 -31.046 1.00 53.54 C ATOM 1398 CG ASN A 83 -38.726 9.445 -31.604 1.00 54.34 C ATOM 1399 OD1 ASN A 83 -39.430 10.365 -31.189 1.00 30.42 O ATOM 1400 ND2 ASN A 83 -37.813 9.614 -32.554 1.00 5.13 N ATOM 0 H ASN A 83 -37.425 7.192 -28.429 1.00 54.02 H new ATOM 0 HA ASN A 83 -38.594 8.958 -29.120 1.00 40.42 H new ATOM 0 HB2 ASN A 83 -37.997 7.451 -31.333 1.00 53.54 H new ATOM 0 HB3 ASN A 83 -39.739 7.563 -31.491 1.00 53.54 H new ATOM 0 HD21 ASN A 83 -37.674 10.535 -32.969 1.00 5.13 H new ATOM 0 HD22 ASN A 83 -37.251 8.823 -32.868 1.00 5.13 H new ATOM 1407 N ASP A 84 -40.736 7.661 -27.864 1.00 51.31 N ATOM 1408 CA ASP A 84 -42.102 7.555 -27.364 1.00 52.30 C ATOM 1409 C ASP A 84 -42.899 6.538 -28.174 1.00 42.22 C ATOM 1410 O ASP A 84 -44.129 6.589 -28.217 1.00 60.41 O ATOM 1411 CB ASP A 84 -42.792 8.920 -27.414 1.00 73.31 C ATOM 1412 CG ASP A 84 -41.819 10.068 -27.237 1.00 61.14 C ATOM 1413 OD1 ASP A 84 -41.238 10.189 -26.139 1.00 10.35 O ATOM 1414 OD2 ASP A 84 -41.640 10.847 -28.197 1.00 61.31 O ATOM 0 H ASP A 84 -40.016 7.495 -27.161 1.00 51.31 H new ATOM 0 HA ASP A 84 -42.060 7.215 -26.329 1.00 52.30 H new ATOM 0 HB2 ASP A 84 -43.307 9.028 -28.368 1.00 73.31 H new ATOM 0 HB3 ASP A 84 -43.552 8.968 -26.634 1.00 73.31 H new ATOM 1419 N THR A 85 -42.191 5.615 -28.817 1.00 32.35 N ATOM 1420 CA THR A 85 -42.831 4.586 -29.627 1.00 54.43 C ATOM 1421 C THR A 85 -42.343 3.196 -29.238 1.00 43.01 C ATOM 1422 O THR A 85 -41.176 3.013 -28.888 1.00 73.31 O ATOM 1423 CB THR A 85 -42.569 4.810 -31.128 1.00 70.01 C ATOM 1424 OG1 THR A 85 -43.144 6.053 -31.547 1.00 35.20 O ATOM 1425 CG2 THR A 85 -43.151 3.672 -31.954 1.00 50.20 C ATOM 0 H THR A 85 -41.173 5.559 -28.792 1.00 32.35 H new ATOM 0 HA THR A 85 -43.902 4.656 -29.438 1.00 54.43 H new ATOM 0 HB THR A 85 -41.491 4.839 -31.285 1.00 70.01 H new ATOM 0 HG1 THR A 85 -42.670 6.795 -31.116 1.00 35.20 H new ATOM 0 HG21 THR A 85 -42.954 3.852 -33.011 1.00 50.20 H new ATOM 0 HG22 THR A 85 -42.689 2.731 -31.654 1.00 50.20 H new ATOM 0 HG23 THR A 85 -44.227 3.617 -31.790 1.00 50.20 H new ATOM 1433 N LEU A 86 -43.240 2.219 -29.303 1.00 55.33 N ATOM 1434 CA LEU A 86 -42.900 0.843 -28.958 1.00 24.32 C ATOM 1435 C LEU A 86 -43.082 -0.080 -30.158 1.00 71.43 C ATOM 1436 O LEU A 86 -44.145 -0.668 -30.365 1.00 2.02 O ATOM 1437 CB LEU A 86 -43.763 0.359 -27.792 1.00 53.35 C ATOM 1438 CG LEU A 86 -43.265 -0.886 -27.058 1.00 64.35 C ATOM 1439 CD1 LEU A 86 -42.126 -0.531 -26.117 1.00 34.43 C ATOM 1440 CD2 LEU A 86 -44.404 -1.548 -26.297 1.00 64.41 C ATOM 0 H LEU A 86 -44.209 2.354 -29.592 1.00 55.33 H new ATOM 0 HA LEU A 86 -41.852 0.818 -28.660 1.00 24.32 H new ATOM 0 HB2 LEU A 86 -43.851 1.171 -27.070 1.00 53.35 H new ATOM 0 HB3 LEU A 86 -44.766 0.157 -28.168 1.00 53.35 H new ATOM 0 HG LEU A 86 -42.890 -1.594 -27.797 1.00 64.35 H new ATOM 0 HD11 LEU A 86 -41.785 -1.430 -25.603 1.00 34.43 H new ATOM 0 HD12 LEU A 86 -41.302 -0.104 -26.688 1.00 34.43 H new ATOM 0 HD13 LEU A 86 -42.474 0.196 -25.383 1.00 34.43 H new ATOM 0 HD21 LEU A 86 -44.031 -2.432 -25.781 1.00 64.41 H new ATOM 0 HD22 LEU A 86 -44.811 -0.847 -25.568 1.00 64.41 H new ATOM 0 HD23 LEU A 86 -45.188 -1.840 -26.996 1.00 64.41 H new ATOM 1452 N PRO A 87 -42.022 -0.214 -30.969 1.00 75.54 N ATOM 1453 CA PRO A 87 -42.040 -1.068 -32.161 1.00 34.23 C ATOM 1454 C PRO A 87 -42.085 -2.551 -31.812 1.00 32.21 C ATOM 1455 O PRO A 87 -41.891 -2.950 -30.663 1.00 10.24 O ATOM 1456 CB PRO A 87 -40.725 -0.724 -32.864 1.00 11.20 C ATOM 1457 CG PRO A 87 -39.831 -0.237 -31.777 1.00 1.23 C ATOM 1458 CD PRO A 87 -40.724 0.455 -30.784 1.00 13.23 C ATOM 0 HA PRO A 87 -42.925 -0.894 -32.773 1.00 34.23 H new ATOM 0 HB2 PRO A 87 -40.303 -1.596 -33.363 1.00 11.20 H new ATOM 0 HB3 PRO A 87 -40.872 0.040 -33.628 1.00 11.20 H new ATOM 0 HG2 PRO A 87 -39.297 -1.065 -31.311 1.00 1.23 H new ATOM 0 HG3 PRO A 87 -39.078 0.448 -32.168 1.00 1.23 H new ATOM 0 HD2 PRO A 87 -40.355 0.342 -29.765 1.00 13.23 H new ATOM 0 HD3 PRO A 87 -40.791 1.525 -30.981 1.00 13.23 H new ATOM 1466 N PRO A 88 -42.347 -3.391 -32.825 1.00 24.24 N ATOM 1467 CA PRO A 88 -42.422 -4.845 -32.648 1.00 70.03 C ATOM 1468 C PRO A 88 -41.059 -5.465 -32.357 1.00 43.35 C ATOM 1469 O PRO A 88 -40.022 -4.834 -32.562 1.00 2.41 O ATOM 1470 CB PRO A 88 -42.957 -5.338 -33.995 1.00 21.31 C ATOM 1471 CG PRO A 88 -42.551 -4.288 -34.972 1.00 24.41 C ATOM 1472 CD PRO A 88 -42.588 -2.986 -34.219 1.00 74.42 C ATOM 0 HA PRO A 88 -43.047 -5.121 -31.798 1.00 70.03 H new ATOM 0 HB2 PRO A 88 -42.534 -6.308 -34.258 1.00 21.31 H new ATOM 0 HB3 PRO A 88 -44.040 -5.458 -33.971 1.00 21.31 H new ATOM 0 HG2 PRO A 88 -41.553 -4.484 -35.364 1.00 24.41 H new ATOM 0 HG3 PRO A 88 -43.229 -4.265 -35.825 1.00 24.41 H new ATOM 0 HD2 PRO A 88 -41.824 -2.295 -34.574 1.00 74.42 H new ATOM 0 HD3 PRO A 88 -43.549 -2.484 -34.331 1.00 74.42 H new ATOM 1480 N THR A 89 -41.069 -6.705 -31.878 1.00 62.03 N ATOM 1481 CA THR A 89 -39.833 -7.410 -31.558 1.00 53.53 C ATOM 1482 C THR A 89 -39.039 -7.726 -32.819 1.00 61.23 C ATOM 1483 O THR A 89 -37.817 -7.873 -32.774 1.00 54.23 O ATOM 1484 CB THR A 89 -40.116 -8.720 -30.800 1.00 2.11 C ATOM 1485 OG1 THR A 89 -40.637 -9.704 -31.699 1.00 72.54 O ATOM 1486 CG2 THR A 89 -41.103 -8.488 -29.666 1.00 35.22 C ATOM 0 H THR A 89 -41.919 -7.242 -31.703 1.00 62.03 H new ATOM 0 HA THR A 89 -39.247 -6.749 -30.920 1.00 53.53 H new ATOM 0 HB THR A 89 -39.178 -9.077 -30.376 1.00 2.11 H new ATOM 0 HG1 THR A 89 -40.813 -10.534 -31.209 1.00 72.54 H new ATOM 0 HG21 THR A 89 -41.287 -9.428 -29.146 1.00 35.22 H new ATOM 0 HG22 THR A 89 -40.690 -7.761 -28.967 1.00 35.22 H new ATOM 0 HG23 THR A 89 -42.041 -8.109 -30.072 1.00 35.22 H new ATOM 1494 N ALA A 90 -39.739 -7.829 -33.944 1.00 65.22 N ATOM 1495 CA ALA A 90 -39.097 -8.126 -35.219 1.00 43.21 C ATOM 1496 C ALA A 90 -38.396 -6.893 -35.781 1.00 33.44 C ATOM 1497 O ALA A 90 -37.665 -6.979 -36.767 1.00 11.52 O ATOM 1498 CB ALA A 90 -40.119 -8.654 -36.215 1.00 3.35 C ATOM 0 H ALA A 90 -40.751 -7.711 -33.998 1.00 65.22 H new ATOM 0 HA ALA A 90 -38.343 -8.894 -35.047 1.00 43.21 H new ATOM 0 HB1 ALA A 90 -39.625 -8.871 -37.162 1.00 3.35 H new ATOM 0 HB2 ALA A 90 -40.571 -9.565 -35.824 1.00 3.35 H new ATOM 0 HB3 ALA A 90 -40.894 -7.904 -36.373 1.00 3.35 H new ATOM 1504 N ALA A 91 -38.624 -5.748 -35.146 1.00 34.52 N ATOM 1505 CA ALA A 91 -38.013 -4.499 -35.582 1.00 15.23 C ATOM 1506 C ALA A 91 -36.506 -4.512 -35.347 1.00 13.11 C ATOM 1507 O ALA A 91 -36.047 -4.593 -34.207 1.00 3.12 O ATOM 1508 CB ALA A 91 -38.651 -3.320 -34.862 1.00 53.34 C ATOM 0 H ALA A 91 -39.227 -5.660 -34.328 1.00 34.52 H new ATOM 0 HA ALA A 91 -38.186 -4.394 -36.653 1.00 15.23 H new ATOM 0 HB1 ALA A 91 -38.185 -2.393 -35.197 1.00 53.34 H new ATOM 0 HB2 ALA A 91 -39.718 -3.291 -35.085 1.00 53.34 H new ATOM 0 HB3 ALA A 91 -38.508 -3.430 -33.787 1.00 53.34 H new ATOM 1514 N LEU A 92 -35.743 -4.435 -36.430 1.00 44.32 N ATOM 1515 CA LEU A 92 -34.286 -4.439 -36.342 1.00 51.15 C ATOM 1516 C LEU A 92 -33.771 -3.119 -35.777 1.00 52.42 C ATOM 1517 O LEU A 92 -34.174 -2.043 -36.220 1.00 40.15 O ATOM 1518 CB LEU A 92 -33.673 -4.691 -37.721 1.00 32.33 C ATOM 1519 CG LEU A 92 -32.554 -5.732 -37.777 1.00 34.21 C ATOM 1520 CD1 LEU A 92 -31.302 -5.209 -37.091 1.00 34.54 C ATOM 1521 CD2 LEU A 92 -33.009 -7.038 -37.139 1.00 54.42 C ATOM 0 H LEU A 92 -36.108 -4.369 -37.380 1.00 44.32 H new ATOM 0 HA LEU A 92 -33.989 -5.242 -35.667 1.00 51.15 H new ATOM 0 HB2 LEU A 92 -34.468 -5.004 -38.398 1.00 32.33 H new ATOM 0 HB3 LEU A 92 -33.283 -3.747 -38.102 1.00 32.33 H new ATOM 0 HG LEU A 92 -32.315 -5.925 -38.823 1.00 34.21 H new ATOM 0 HD11 LEU A 92 -30.517 -5.964 -37.141 1.00 34.54 H new ATOM 0 HD12 LEU A 92 -30.965 -4.301 -37.592 1.00 34.54 H new ATOM 0 HD13 LEU A 92 -31.525 -4.986 -36.048 1.00 34.54 H new ATOM 0 HD21 LEU A 92 -32.201 -7.768 -37.187 1.00 54.42 H new ATOM 0 HD22 LEU A 92 -33.276 -6.860 -36.097 1.00 54.42 H new ATOM 0 HD23 LEU A 92 -33.877 -7.422 -37.675 1.00 54.42 H new ATOM 1533 N MET A 93 -32.877 -3.208 -34.798 1.00 75.25 N ATOM 1534 CA MET A 93 -32.305 -2.020 -34.176 1.00 21.43 C ATOM 1535 C MET A 93 -31.643 -1.125 -35.218 1.00 42.22 C ATOM 1536 O MET A 93 -31.733 0.100 -35.145 1.00 41.12 O ATOM 1537 CB MET A 93 -31.284 -2.420 -33.109 1.00 24.14 C ATOM 1538 CG MET A 93 -31.912 -2.784 -31.773 1.00 30.23 C ATOM 1539 SD MET A 93 -31.599 -1.548 -30.498 1.00 12.43 S ATOM 1540 CE MET A 93 -32.695 -0.234 -31.024 1.00 55.53 C ATOM 0 H MET A 93 -32.533 -4.090 -34.418 1.00 75.25 H new ATOM 0 HA MET A 93 -33.114 -1.462 -33.705 1.00 21.43 H new ATOM 0 HB2 MET A 93 -30.705 -3.269 -33.472 1.00 24.14 H new ATOM 0 HB3 MET A 93 -30.585 -1.597 -32.960 1.00 24.14 H new ATOM 0 HG2 MET A 93 -32.988 -2.903 -31.902 1.00 30.23 H new ATOM 0 HG3 MET A 93 -31.522 -3.747 -31.443 1.00 30.23 H new ATOM 0 HE1 MET A 93 -32.615 0.605 -30.333 1.00 55.53 H new ATOM 0 HE2 MET A 93 -32.416 0.093 -32.026 1.00 55.53 H new ATOM 0 HE3 MET A 93 -33.722 -0.599 -31.034 1.00 55.53 H new ATOM 1550 N SER A 94 -30.979 -1.745 -36.189 1.00 75.42 N ATOM 1551 CA SER A 94 -30.300 -1.004 -37.245 1.00 24.14 C ATOM 1552 C SER A 94 -31.304 -0.260 -38.120 1.00 20.33 C ATOM 1553 O SER A 94 -30.981 0.764 -38.721 1.00 51.21 O ATOM 1554 CB SER A 94 -29.461 -1.952 -38.104 1.00 52.43 C ATOM 1555 OG SER A 94 -28.991 -1.301 -39.272 1.00 33.34 O ATOM 0 H SER A 94 -30.897 -2.759 -36.266 1.00 75.42 H new ATOM 0 HA SER A 94 -29.642 -0.272 -36.776 1.00 24.14 H new ATOM 0 HB2 SER A 94 -28.615 -2.321 -37.524 1.00 52.43 H new ATOM 0 HB3 SER A 94 -30.059 -2.820 -38.383 1.00 52.43 H new ATOM 0 HG SER A 94 -28.456 -1.928 -39.803 1.00 33.34 H new ATOM 1561 N ALA A 95 -32.523 -0.784 -38.186 1.00 13.14 N ATOM 1562 CA ALA A 95 -33.577 -0.170 -38.984 1.00 42.12 C ATOM 1563 C ALA A 95 -34.276 0.943 -38.210 1.00 25.52 C ATOM 1564 O ALA A 95 -34.711 1.937 -38.791 1.00 23.12 O ATOM 1565 CB ALA A 95 -34.584 -1.221 -39.428 1.00 2.54 C ATOM 0 H ALA A 95 -32.805 -1.633 -37.696 1.00 13.14 H new ATOM 0 HA ALA A 95 -33.117 0.273 -39.868 1.00 42.12 H new ATOM 0 HB1 ALA A 95 -35.365 -0.748 -40.023 1.00 2.54 H new ATOM 0 HB2 ALA A 95 -34.079 -1.978 -40.028 1.00 2.54 H new ATOM 0 HB3 ALA A 95 -35.030 -1.691 -38.551 1.00 2.54 H new ATOM 1571 N ILE A 96 -34.379 0.767 -36.897 1.00 54.21 N ATOM 1572 CA ILE A 96 -35.026 1.757 -36.043 1.00 64.15 C ATOM 1573 C ILE A 96 -34.080 2.910 -35.726 1.00 13.41 C ATOM 1574 O ILE A 96 -34.416 4.077 -35.931 1.00 45.30 O ATOM 1575 CB ILE A 96 -35.514 1.130 -34.724 1.00 75.03 C ATOM 1576 CG1 ILE A 96 -36.457 -0.041 -35.009 1.00 62.23 C ATOM 1577 CG2 ILE A 96 -36.207 2.177 -33.866 1.00 34.15 C ATOM 1578 CD1 ILE A 96 -37.773 0.378 -35.624 1.00 63.25 C ATOM 0 H ILE A 96 -34.023 -0.051 -36.401 1.00 54.21 H new ATOM 0 HA ILE A 96 -35.886 2.137 -36.595 1.00 64.15 H new ATOM 0 HB ILE A 96 -34.651 0.752 -34.177 1.00 75.03 H new ATOM 0 HG12 ILE A 96 -35.960 -0.743 -35.679 1.00 62.23 H new ATOM 0 HG13 ILE A 96 -36.653 -0.573 -34.078 1.00 62.23 H new ATOM 0 HG21 ILE A 96 -36.547 1.719 -32.937 1.00 34.15 H new ATOM 0 HG22 ILE A 96 -35.508 2.982 -33.640 1.00 34.15 H new ATOM 0 HG23 ILE A 96 -37.064 2.581 -34.406 1.00 34.15 H new ATOM 0 HD11 ILE A 96 -38.390 -0.503 -35.798 1.00 63.25 H new ATOM 0 HD12 ILE A 96 -38.292 1.056 -34.946 1.00 63.25 H new ATOM 0 HD13 ILE A 96 -37.587 0.884 -36.571 1.00 63.25 H new ATOM 1590 N TYR A 97 -32.896 2.576 -35.225 1.00 63.33 N ATOM 1591 CA TYR A 97 -31.901 3.583 -34.879 1.00 11.33 C ATOM 1592 C TYR A 97 -31.616 4.499 -36.065 1.00 14.31 C ATOM 1593 O TYR A 97 -31.235 5.657 -35.891 1.00 10.22 O ATOM 1594 CB TYR A 97 -30.606 2.913 -34.416 1.00 20.10 C ATOM 1595 CG TYR A 97 -29.377 3.772 -34.611 1.00 41.02 C ATOM 1596 CD1 TYR A 97 -29.114 4.846 -33.769 1.00 73.24 C ATOM 1597 CD2 TYR A 97 -28.477 3.510 -35.638 1.00 34.01 C ATOM 1598 CE1 TYR A 97 -27.993 5.634 -33.944 1.00 22.14 C ATOM 1599 CE2 TYR A 97 -27.353 4.291 -35.819 1.00 43.21 C ATOM 1600 CZ TYR A 97 -27.115 5.352 -34.970 1.00 32.43 C ATOM 1601 OH TYR A 97 -25.997 6.134 -35.148 1.00 30.24 O ATOM 0 H TYR A 97 -32.602 1.615 -35.050 1.00 63.33 H new ATOM 0 HA TYR A 97 -32.302 4.187 -34.065 1.00 11.33 H new ATOM 0 HB2 TYR A 97 -30.696 2.657 -33.360 1.00 20.10 H new ATOM 0 HB3 TYR A 97 -30.476 1.978 -34.961 1.00 20.10 H new ATOM 0 HD1 TYR A 97 -29.798 5.068 -32.964 1.00 73.24 H new ATOM 0 HD2 TYR A 97 -28.660 2.681 -36.306 1.00 34.01 H new ATOM 0 HE1 TYR A 97 -27.805 6.466 -33.281 1.00 22.14 H new ATOM 0 HE2 TYR A 97 -26.664 4.072 -36.621 1.00 43.21 H new ATOM 0 HH TYR A 97 -25.483 5.801 -35.913 1.00 30.24 H new ATOM 1611 N GLN A 98 -31.806 3.972 -37.270 1.00 51.30 N ATOM 1612 CA GLN A 98 -31.571 4.742 -38.486 1.00 30.12 C ATOM 1613 C GLN A 98 -32.261 6.101 -38.412 1.00 34.11 C ATOM 1614 O GLN A 98 -31.633 7.138 -38.622 1.00 75.22 O ATOM 1615 CB GLN A 98 -32.069 3.969 -39.709 1.00 5.24 C ATOM 1616 CG GLN A 98 -32.033 4.779 -40.995 1.00 20.34 C ATOM 1617 CD GLN A 98 -31.375 4.030 -42.137 1.00 2.22 C ATOM 1618 OE1 GLN A 98 -31.316 2.800 -42.137 1.00 23.24 O ATOM 1619 NE2 GLN A 98 -30.874 4.770 -43.120 1.00 54.22 N ATOM 0 H GLN A 98 -32.122 3.016 -37.431 1.00 51.30 H new ATOM 0 HA GLN A 98 -30.497 4.905 -38.581 1.00 30.12 H new ATOM 0 HB2 GLN A 98 -31.460 3.074 -39.836 1.00 5.24 H new ATOM 0 HB3 GLN A 98 -33.091 3.636 -39.527 1.00 5.24 H new ATOM 0 HG2 GLN A 98 -33.050 5.047 -41.280 1.00 20.34 H new ATOM 0 HG3 GLN A 98 -31.495 5.710 -40.819 1.00 20.34 H new ATOM 0 HE21 GLN A 98 -30.945 5.787 -43.080 1.00 54.22 H new ATOM 0 HE22 GLN A 98 -30.419 4.321 -43.915 1.00 54.22 H new ATOM 1628 N GLU A 99 -33.556 6.085 -38.114 1.00 53.30 N ATOM 1629 CA GLU A 99 -34.331 7.316 -38.014 1.00 53.45 C ATOM 1630 C GLU A 99 -34.543 7.710 -36.555 1.00 62.32 C ATOM 1631 O GLU A 99 -34.962 8.829 -36.257 1.00 64.21 O ATOM 1632 CB GLU A 99 -35.684 7.151 -38.710 1.00 43.23 C ATOM 1633 CG GLU A 99 -36.514 8.424 -38.737 1.00 61.42 C ATOM 1634 CD GLU A 99 -35.798 9.574 -39.420 1.00 63.42 C ATOM 1635 OE1 GLU A 99 -35.035 9.314 -40.375 1.00 31.31 O ATOM 1636 OE2 GLU A 99 -35.999 10.732 -39.000 1.00 50.15 O ATOM 0 H GLU A 99 -34.090 5.234 -37.938 1.00 53.30 H new ATOM 0 HA GLU A 99 -33.770 8.109 -38.508 1.00 53.45 H new ATOM 0 HB2 GLU A 99 -35.518 6.814 -39.733 1.00 43.23 H new ATOM 0 HB3 GLU A 99 -36.250 6.369 -38.204 1.00 43.23 H new ATOM 0 HG2 GLU A 99 -37.454 8.229 -39.253 1.00 61.42 H new ATOM 0 HG3 GLU A 99 -36.764 8.712 -37.716 1.00 61.42 H new ATOM 1643 N HIS A 100 -34.250 6.782 -35.650 1.00 4.24 N ATOM 1644 CA HIS A 100 -34.407 7.031 -34.221 1.00 55.10 C ATOM 1645 C HIS A 100 -33.098 7.517 -33.607 1.00 23.43 C ATOM 1646 O HIS A 100 -32.915 7.467 -32.390 1.00 43.52 O ATOM 1647 CB HIS A 100 -34.879 5.762 -33.510 1.00 1.43 C ATOM 1648 CG HIS A 100 -36.301 5.401 -33.810 1.00 63.24 C ATOM 1649 ND1 HIS A 100 -37.262 5.253 -32.833 1.00 4.22 N ATOM 1650 CD2 HIS A 100 -36.923 5.158 -34.988 1.00 23.31 C ATOM 1651 CE1 HIS A 100 -38.413 4.934 -33.396 1.00 52.40 C ATOM 1652 NE2 HIS A 100 -38.235 4.870 -34.703 1.00 21.43 N ATOM 0 H HIS A 100 -33.903 5.851 -35.880 1.00 4.24 H new ATOM 0 HA HIS A 100 -35.158 7.810 -34.093 1.00 55.10 H new ATOM 0 HB2 HIS A 100 -34.234 4.932 -33.799 1.00 1.43 H new ATOM 0 HB3 HIS A 100 -34.766 5.895 -32.434 1.00 1.43 H new ATOM 0 HD2 HIS A 100 -36.471 5.186 -35.969 1.00 23.31 H new ATOM 0 HE1 HIS A 100 -39.342 4.756 -32.876 1.00 52.40 H new ATOM 0 HE2 HIS A 100 -38.955 4.643 -35.389 1.00 21.43 H new ATOM 1660 N LYS A 101 -32.189 7.984 -34.456 1.00 72.44 N ATOM 1661 CA LYS A 101 -30.896 8.479 -33.997 1.00 63.24 C ATOM 1662 C LYS A 101 -30.953 9.979 -33.726 1.00 71.24 C ATOM 1663 O LYS A 101 -31.524 10.739 -34.507 1.00 52.23 O ATOM 1664 CB LYS A 101 -29.814 8.178 -35.038 1.00 12.53 C ATOM 1665 CG LYS A 101 -30.102 8.774 -36.404 1.00 44.43 C ATOM 1666 CD LYS A 101 -28.982 8.481 -37.388 1.00 42.02 C ATOM 1667 CE LYS A 101 -29.354 8.906 -38.800 1.00 13.52 C ATOM 1668 NZ LYS A 101 -28.528 10.053 -39.271 1.00 14.34 N ATOM 0 H LYS A 101 -32.324 8.030 -35.466 1.00 72.44 H new ATOM 0 HA LYS A 101 -30.648 7.969 -33.066 1.00 63.24 H new ATOM 0 HB2 LYS A 101 -28.859 8.561 -34.678 1.00 12.53 H new ATOM 0 HB3 LYS A 101 -29.708 7.098 -35.137 1.00 12.53 H new ATOM 0 HG2 LYS A 101 -31.039 8.371 -36.788 1.00 44.43 H new ATOM 0 HG3 LYS A 101 -30.233 9.852 -36.311 1.00 44.43 H new ATOM 0 HD2 LYS A 101 -28.077 9.003 -37.077 1.00 42.02 H new ATOM 0 HD3 LYS A 101 -28.755 7.415 -37.376 1.00 42.02 H new ATOM 0 HE2 LYS A 101 -29.225 8.063 -39.479 1.00 13.52 H new ATOM 0 HE3 LYS A 101 -30.408 9.181 -38.830 1.00 13.52 H new ATOM 0 HZ1 LYS A 101 -28.813 10.312 -40.237 1.00 14.34 H new ATOM 0 HZ2 LYS A 101 -28.670 10.866 -38.638 1.00 14.34 H new ATOM 0 HZ3 LYS A 101 -27.524 9.783 -39.267 1.00 14.34 H new ATOM 1682 N ASP A 102 -30.356 10.398 -32.616 1.00 65.24 N ATOM 1683 CA ASP A 102 -30.336 11.808 -32.244 1.00 34.44 C ATOM 1684 C ASP A 102 -29.866 12.671 -33.409 1.00 3.30 C ATOM 1685 O ASP A 102 -29.351 12.162 -34.405 1.00 52.23 O ATOM 1686 CB ASP A 102 -29.427 12.024 -31.032 1.00 13.31 C ATOM 1687 CG ASP A 102 -29.686 13.350 -30.345 1.00 34.12 C ATOM 1688 OD1 ASP A 102 -30.852 13.795 -30.335 1.00 52.30 O ATOM 1689 OD2 ASP A 102 -28.721 13.943 -29.815 1.00 75.14 O ATOM 0 H ASP A 102 -29.879 9.781 -31.958 1.00 65.24 H new ATOM 0 HA ASP A 102 -31.352 12.105 -31.984 1.00 34.44 H new ATOM 0 HB2 ASP A 102 -29.577 11.213 -30.319 1.00 13.31 H new ATOM 0 HB3 ASP A 102 -28.385 11.980 -31.350 1.00 13.31 H new ATOM 1694 N LYS A 103 -30.045 13.981 -33.278 1.00 71.20 N ATOM 1695 CA LYS A 103 -29.639 14.918 -34.319 1.00 63.44 C ATOM 1696 C LYS A 103 -28.172 14.719 -34.688 1.00 50.13 C ATOM 1697 O LYS A 103 -27.752 15.045 -35.798 1.00 44.12 O ATOM 1698 CB LYS A 103 -29.869 16.358 -33.857 1.00 75.04 C ATOM 1699 CG LYS A 103 -31.301 16.639 -33.434 1.00 32.23 C ATOM 1700 CD LYS A 103 -31.408 17.945 -32.664 1.00 51.12 C ATOM 1701 CE LYS A 103 -31.166 19.145 -33.567 1.00 74.41 C ATOM 1702 NZ LYS A 103 -31.933 20.340 -33.118 1.00 4.34 N ATOM 0 H LYS A 103 -30.469 14.418 -32.460 1.00 71.20 H new ATOM 0 HA LYS A 103 -30.247 14.726 -35.203 1.00 63.44 H new ATOM 0 HB2 LYS A 103 -29.203 16.574 -33.021 1.00 75.04 H new ATOM 0 HB3 LYS A 103 -29.597 17.038 -34.665 1.00 75.04 H new ATOM 0 HG2 LYS A 103 -31.940 16.682 -34.316 1.00 32.23 H new ATOM 0 HG3 LYS A 103 -31.666 15.819 -32.815 1.00 32.23 H new ATOM 0 HD2 LYS A 103 -32.397 18.022 -32.212 1.00 51.12 H new ATOM 0 HD3 LYS A 103 -30.684 17.949 -31.850 1.00 51.12 H new ATOM 0 HE2 LYS A 103 -30.102 19.380 -33.581 1.00 74.41 H new ATOM 0 HE3 LYS A 103 -31.450 18.894 -34.589 1.00 74.41 H new ATOM 0 HZ1 LYS A 103 -31.741 21.136 -33.759 1.00 4.34 H new ATOM 0 HZ2 LYS A 103 -32.950 20.124 -33.129 1.00 4.34 H new ATOM 0 HZ3 LYS A 103 -31.644 20.595 -32.152 1.00 4.34 H new ATOM 1716 N ASP A 104 -27.400 14.181 -33.751 1.00 4.02 N ATOM 1717 CA ASP A 104 -25.980 13.937 -33.978 1.00 70.13 C ATOM 1718 C ASP A 104 -25.654 12.453 -33.836 1.00 74.11 C ATOM 1719 O ASP A 104 -24.599 12.085 -33.322 1.00 42.32 O ATOM 1720 CB ASP A 104 -25.136 14.753 -32.997 1.00 55.13 C ATOM 1721 CG ASP A 104 -23.749 15.048 -33.533 1.00 12.35 C ATOM 1722 OD1 ASP A 104 -23.635 15.385 -34.729 1.00 42.42 O ATOM 1723 OD2 ASP A 104 -22.777 14.940 -32.754 1.00 55.54 O ATOM 0 H ASP A 104 -27.733 13.905 -32.827 1.00 4.02 H new ATOM 0 HA ASP A 104 -25.742 14.248 -34.995 1.00 70.13 H new ATOM 0 HB2 ASP A 104 -25.645 15.692 -32.778 1.00 55.13 H new ATOM 0 HB3 ASP A 104 -25.051 14.209 -32.056 1.00 55.13 H new ATOM 1728 N GLY A 105 -26.570 11.605 -34.294 1.00 41.00 N ATOM 1729 CA GLY A 105 -26.362 10.171 -34.207 1.00 44.32 C ATOM 1730 C GLY A 105 -26.293 9.681 -32.775 1.00 11.20 C ATOM 1731 O GLY A 105 -25.286 9.872 -32.094 1.00 2.44 O ATOM 0 H GLY A 105 -27.452 11.885 -34.723 1.00 41.00 H new ATOM 0 HA2 GLY A 105 -27.172 9.657 -34.725 1.00 44.32 H new ATOM 0 HA3 GLY A 105 -25.438 9.909 -34.722 1.00 44.32 H new ATOM 1735 N PHE A 106 -27.367 9.048 -32.315 1.00 20.40 N ATOM 1736 CA PHE A 106 -27.425 8.530 -30.953 1.00 51.32 C ATOM 1737 C PHE A 106 -28.744 7.805 -30.703 1.00 14.23 C ATOM 1738 O PHE A 106 -29.822 8.382 -30.857 1.00 73.34 O ATOM 1739 CB PHE A 106 -27.257 9.669 -29.945 1.00 40.41 C ATOM 1740 CG PHE A 106 -26.342 9.329 -28.803 1.00 52.52 C ATOM 1741 CD1 PHE A 106 -25.006 9.045 -29.031 1.00 22.42 C ATOM 1742 CD2 PHE A 106 -26.819 9.293 -27.504 1.00 32.25 C ATOM 1743 CE1 PHE A 106 -24.160 8.732 -27.982 1.00 74.14 C ATOM 1744 CE2 PHE A 106 -25.979 8.981 -26.451 1.00 21.21 C ATOM 1745 CZ PHE A 106 -24.649 8.699 -26.691 1.00 2.10 C ATOM 0 H PHE A 106 -28.209 8.881 -32.866 1.00 20.40 H new ATOM 0 HA PHE A 106 -26.610 7.818 -30.826 1.00 51.32 H new ATOM 0 HB2 PHE A 106 -26.869 10.547 -30.462 1.00 40.41 H new ATOM 0 HB3 PHE A 106 -28.235 9.939 -29.548 1.00 40.41 H new ATOM 0 HD1 PHE A 106 -24.620 9.068 -30.039 1.00 22.42 H new ATOM 0 HD2 PHE A 106 -27.859 9.511 -27.311 1.00 32.25 H new ATOM 0 HE1 PHE A 106 -23.120 8.514 -28.172 1.00 74.14 H new ATOM 0 HE2 PHE A 106 -26.363 8.958 -25.442 1.00 21.21 H new ATOM 0 HZ PHE A 106 -23.992 8.453 -25.870 1.00 2.10 H new ATOM 1755 N LEU A 107 -28.651 6.538 -30.314 1.00 70.13 N ATOM 1756 CA LEU A 107 -29.837 5.732 -30.043 1.00 3.02 C ATOM 1757 C LEU A 107 -30.317 5.937 -28.610 1.00 44.20 C ATOM 1758 O LEU A 107 -29.597 5.643 -27.655 1.00 33.20 O ATOM 1759 CB LEU A 107 -29.539 4.253 -30.287 1.00 24.40 C ATOM 1760 CG LEU A 107 -30.709 3.290 -30.088 1.00 74.21 C ATOM 1761 CD1 LEU A 107 -30.886 2.961 -28.614 1.00 33.25 C ATOM 1762 CD2 LEU A 107 -31.989 3.882 -30.661 1.00 33.30 C ATOM 0 H LEU A 107 -27.767 6.047 -30.179 1.00 70.13 H new ATOM 0 HA LEU A 107 -30.628 6.053 -30.721 1.00 3.02 H new ATOM 0 HB2 LEU A 107 -29.172 4.141 -31.307 1.00 24.40 H new ATOM 0 HB3 LEU A 107 -28.730 3.952 -29.622 1.00 24.40 H new ATOM 0 HG LEU A 107 -30.488 2.365 -30.621 1.00 74.21 H new ATOM 0 HD11 LEU A 107 -31.724 2.274 -28.493 1.00 33.25 H new ATOM 0 HD12 LEU A 107 -29.977 2.495 -28.233 1.00 33.25 H new ATOM 0 HD13 LEU A 107 -31.084 3.877 -28.058 1.00 33.25 H new ATOM 0 HD21 LEU A 107 -32.812 3.183 -30.511 1.00 33.30 H new ATOM 0 HD22 LEU A 107 -32.214 4.821 -30.156 1.00 33.30 H new ATOM 0 HD23 LEU A 107 -31.859 4.066 -31.728 1.00 33.30 H new ATOM 1774 N TYR A 108 -31.538 6.440 -28.466 1.00 22.11 N ATOM 1775 CA TYR A 108 -32.115 6.683 -27.149 1.00 51.42 C ATOM 1776 C TYR A 108 -33.186 5.647 -26.823 1.00 41.13 C ATOM 1777 O TYR A 108 -34.264 5.644 -27.417 1.00 20.31 O ATOM 1778 CB TYR A 108 -32.713 8.089 -27.084 1.00 43.10 C ATOM 1779 CG TYR A 108 -31.685 9.175 -26.858 1.00 52.53 C ATOM 1780 CD1 TYR A 108 -31.002 9.272 -25.652 1.00 34.23 C ATOM 1781 CD2 TYR A 108 -31.397 10.104 -27.850 1.00 53.12 C ATOM 1782 CE1 TYR A 108 -30.063 10.263 -25.440 1.00 30.32 C ATOM 1783 CE2 TYR A 108 -30.459 11.097 -27.648 1.00 11.02 C ATOM 1784 CZ TYR A 108 -29.794 11.173 -26.442 1.00 20.22 C ATOM 1785 OH TYR A 108 -28.860 12.161 -26.235 1.00 64.12 O ATOM 0 H TYR A 108 -32.148 6.688 -29.245 1.00 22.11 H new ATOM 0 HA TYR A 108 -31.318 6.599 -26.410 1.00 51.42 H new ATOM 0 HB2 TYR A 108 -33.245 8.292 -28.014 1.00 43.10 H new ATOM 0 HB3 TYR A 108 -33.449 8.125 -26.281 1.00 43.10 H new ATOM 0 HD1 TYR A 108 -31.209 8.560 -24.866 1.00 34.23 H new ATOM 0 HD2 TYR A 108 -31.916 10.049 -28.796 1.00 53.12 H new ATOM 0 HE1 TYR A 108 -29.543 10.325 -24.496 1.00 30.32 H new ATOM 0 HE2 TYR A 108 -30.247 11.811 -28.430 1.00 11.02 H new ATOM 0 HH TYR A 108 -28.789 12.717 -27.039 1.00 64.12 H new ATOM 1795 N VAL A 109 -32.879 4.767 -25.875 1.00 55.04 N ATOM 1796 CA VAL A 109 -33.816 3.726 -25.467 1.00 4.21 C ATOM 1797 C VAL A 109 -34.225 3.897 -24.009 1.00 22.41 C ATOM 1798 O VAL A 109 -33.377 4.021 -23.124 1.00 52.03 O ATOM 1799 CB VAL A 109 -33.211 2.323 -25.659 1.00 35.22 C ATOM 1800 CG1 VAL A 109 -33.435 1.835 -27.082 1.00 73.32 C ATOM 1801 CG2 VAL A 109 -31.730 2.330 -25.316 1.00 22.44 C ATOM 0 H VAL A 109 -31.990 4.754 -25.375 1.00 55.04 H new ATOM 0 HA VAL A 109 -34.697 3.824 -26.102 1.00 4.21 H new ATOM 0 HB VAL A 109 -33.714 1.634 -24.981 1.00 35.22 H new ATOM 0 HG11 VAL A 109 -33.001 0.842 -27.199 1.00 73.32 H new ATOM 0 HG12 VAL A 109 -34.505 1.790 -27.287 1.00 73.32 H new ATOM 0 HG13 VAL A 109 -32.960 2.523 -27.782 1.00 73.32 H new ATOM 0 HG21 VAL A 109 -31.319 1.330 -25.457 1.00 22.44 H new ATOM 0 HG22 VAL A 109 -31.209 3.032 -25.967 1.00 22.44 H new ATOM 0 HG23 VAL A 109 -31.599 2.633 -24.277 1.00 22.44 H new ATOM 1811 N THR A 110 -35.532 3.900 -23.763 1.00 44.04 N ATOM 1812 CA THR A 110 -36.055 4.055 -22.412 1.00 51.11 C ATOM 1813 C THR A 110 -36.684 2.758 -21.913 1.00 45.01 C ATOM 1814 O THR A 110 -37.509 2.154 -22.597 1.00 54.24 O ATOM 1815 CB THR A 110 -37.104 5.181 -22.342 1.00 32.41 C ATOM 1816 OG1 THR A 110 -36.878 6.127 -23.392 1.00 31.14 O ATOM 1817 CG2 THR A 110 -37.051 5.887 -20.995 1.00 50.10 C ATOM 0 H THR A 110 -36.247 3.797 -24.483 1.00 44.04 H new ATOM 0 HA THR A 110 -35.210 4.315 -21.774 1.00 51.11 H new ATOM 0 HB THR A 110 -38.092 4.736 -22.462 1.00 32.41 H new ATOM 0 HG1 THR A 110 -37.550 6.839 -23.341 1.00 31.14 H new ATOM 0 HG21 THR A 110 -37.801 6.678 -20.969 1.00 50.10 H new ATOM 0 HG22 THR A 110 -37.253 5.169 -20.200 1.00 50.10 H new ATOM 0 HG23 THR A 110 -36.061 6.320 -20.850 1.00 50.10 H new ATOM 1825 N TYR A 111 -36.287 2.336 -20.718 1.00 13.54 N ATOM 1826 CA TYR A 111 -36.810 1.110 -20.128 1.00 72.24 C ATOM 1827 C TYR A 111 -37.717 1.420 -18.941 1.00 34.12 C ATOM 1828 O TYR A 111 -37.403 2.275 -18.112 1.00 74.05 O ATOM 1829 CB TYR A 111 -35.662 0.202 -19.684 1.00 42.35 C ATOM 1830 CG TYR A 111 -35.056 0.597 -18.357 1.00 75.20 C ATOM 1831 CD1 TYR A 111 -34.279 1.743 -18.239 1.00 63.33 C ATOM 1832 CD2 TYR A 111 -35.261 -0.175 -17.220 1.00 23.42 C ATOM 1833 CE1 TYR A 111 -33.723 2.107 -17.028 1.00 51.32 C ATOM 1834 CE2 TYR A 111 -34.710 0.183 -16.005 1.00 35.11 C ATOM 1835 CZ TYR A 111 -33.941 1.324 -15.914 1.00 12.33 C ATOM 1836 OH TYR A 111 -33.390 1.684 -14.705 1.00 73.54 O ATOM 0 H TYR A 111 -35.605 2.825 -20.139 1.00 13.54 H new ATOM 0 HA TYR A 111 -37.399 0.595 -20.887 1.00 72.24 H new ATOM 0 HB2 TYR A 111 -36.026 -0.823 -19.617 1.00 42.35 H new ATOM 0 HB3 TYR A 111 -34.884 0.215 -20.447 1.00 42.35 H new ATOM 0 HD1 TYR A 111 -34.107 2.360 -19.109 1.00 63.33 H new ATOM 0 HD2 TYR A 111 -35.861 -1.070 -17.287 1.00 23.42 H new ATOM 0 HE1 TYR A 111 -33.121 3.000 -16.954 1.00 51.32 H new ATOM 0 HE2 TYR A 111 -34.881 -0.428 -15.131 1.00 35.11 H new ATOM 0 HH TYR A 111 -33.667 1.044 -14.016 1.00 73.54 H new ATOM 1846 N SER A 112 -38.843 0.717 -18.865 1.00 53.52 N ATOM 1847 CA SER A 112 -39.797 0.918 -17.781 1.00 34.10 C ATOM 1848 C SER A 112 -40.793 -0.236 -17.713 1.00 44.45 C ATOM 1849 O SER A 112 -40.918 -1.018 -18.654 1.00 34.45 O ATOM 1850 CB SER A 112 -40.544 2.240 -17.970 1.00 30.13 C ATOM 1851 OG SER A 112 -41.368 2.525 -16.852 1.00 21.52 O ATOM 0 H SER A 112 -39.116 0.004 -19.541 1.00 53.52 H new ATOM 0 HA SER A 112 -39.242 0.952 -16.843 1.00 34.10 H new ATOM 0 HB2 SER A 112 -39.828 3.049 -18.113 1.00 30.13 H new ATOM 0 HB3 SER A 112 -41.154 2.191 -18.872 1.00 30.13 H new ATOM 0 HG SER A 112 -41.833 3.375 -16.997 1.00 21.52 H new ATOM 1857 N GLY A 113 -41.500 -0.334 -16.591 1.00 42.32 N ATOM 1858 CA GLY A 113 -42.476 -1.395 -16.420 1.00 0.04 C ATOM 1859 C GLY A 113 -43.865 -0.983 -16.866 1.00 24.22 C ATOM 1860 O GLY A 113 -44.851 -1.633 -16.522 1.00 14.13 O ATOM 0 H GLY A 113 -41.414 0.302 -15.798 1.00 42.32 H new ATOM 0 HA2 GLY A 113 -42.160 -2.270 -16.988 1.00 0.04 H new ATOM 0 HA3 GLY A 113 -42.507 -1.690 -15.371 1.00 0.04 H new ATOM 1864 N GLU A 114 -43.942 0.101 -17.632 1.00 24.15 N ATOM 1865 CA GLU A 114 -45.221 0.599 -18.122 1.00 54.31 C ATOM 1866 C GLU A 114 -45.036 1.399 -19.408 1.00 52.14 C ATOM 1867 O GLU A 114 -43.951 1.905 -19.686 1.00 61.21 O ATOM 1868 CB GLU A 114 -45.895 1.471 -17.060 1.00 35.12 C ATOM 1869 CG GLU A 114 -44.944 2.436 -16.370 1.00 74.33 C ATOM 1870 CD GLU A 114 -45.624 3.250 -15.287 1.00 44.42 C ATOM 1871 OE1 GLU A 114 -46.637 2.775 -14.734 1.00 42.55 O ATOM 1872 OE2 GLU A 114 -45.141 4.364 -14.993 1.00 41.40 O ATOM 0 H GLU A 114 -43.134 0.650 -17.926 1.00 24.15 H new ATOM 0 HA GLU A 114 -45.858 -0.259 -18.336 1.00 54.31 H new ATOM 0 HB2 GLU A 114 -46.700 2.039 -17.526 1.00 35.12 H new ATOM 0 HB3 GLU A 114 -46.352 0.826 -16.310 1.00 35.12 H new ATOM 0 HG2 GLU A 114 -44.117 1.876 -15.933 1.00 74.33 H new ATOM 0 HG3 GLU A 114 -44.515 3.110 -17.111 1.00 74.33 H new ATOM 1879 N ASN A 115 -46.106 1.506 -20.190 1.00 55.10 N ATOM 1880 CA ASN A 115 -46.063 2.242 -21.448 1.00 41.43 C ATOM 1881 C ASN A 115 -46.899 3.517 -21.362 1.00 65.44 C ATOM 1882 O ASN A 115 -46.751 4.425 -22.179 1.00 54.54 O ATOM 1883 CB ASN A 115 -46.568 1.364 -22.595 1.00 14.32 C ATOM 1884 CG ASN A 115 -46.948 2.174 -23.819 1.00 42.21 C ATOM 1885 OD1 ASN A 115 -48.088 2.126 -24.280 1.00 55.13 O ATOM 1886 ND2 ASN A 115 -45.989 2.923 -24.353 1.00 72.55 N ATOM 0 H ASN A 115 -47.013 1.092 -19.974 1.00 55.10 H new ATOM 0 HA ASN A 115 -45.027 2.520 -21.642 1.00 41.43 H new ATOM 0 HB2 ASN A 115 -45.796 0.644 -22.865 1.00 14.32 H new ATOM 0 HB3 ASN A 115 -47.433 0.793 -22.258 1.00 14.32 H new ATOM 0 HD21 ASN A 115 -46.184 3.489 -25.179 1.00 72.55 H new ATOM 0 HD22 ASN A 115 -45.058 2.932 -23.937 1.00 72.55 H new ATOM 1893 N THR A 116 -47.777 3.576 -20.366 1.00 23.23 N ATOM 1894 CA THR A 116 -48.637 4.736 -20.173 1.00 10.44 C ATOM 1895 C THR A 116 -48.409 5.367 -18.804 1.00 2.32 C ATOM 1896 O THR A 116 -47.481 4.997 -18.085 1.00 70.01 O ATOM 1897 CB THR A 116 -50.125 4.363 -20.313 1.00 3.43 C ATOM 1898 OG1 THR A 116 -50.555 3.628 -19.162 1.00 53.13 O ATOM 1899 CG2 THR A 116 -50.359 3.535 -21.567 1.00 12.10 C ATOM 0 H THR A 116 -47.911 2.833 -19.680 1.00 23.23 H new ATOM 0 HA THR A 116 -48.377 5.455 -20.950 1.00 10.44 H new ATOM 0 HB THR A 116 -50.703 5.284 -20.392 1.00 3.43 H new ATOM 0 HG1 THR A 116 -51.502 3.396 -19.257 1.00 53.13 H new ATOM 0 HG21 THR A 116 -51.417 3.283 -21.645 1.00 12.10 H new ATOM 0 HG22 THR A 116 -50.057 4.109 -22.443 1.00 12.10 H new ATOM 0 HG23 THR A 116 -49.771 2.619 -21.513 1.00 12.10 H new