USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 616 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 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.542 X(o=-0.54,f=-0.078) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -163:sc= -0.0878 (180deg=-0.43) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -118:sc= -1.26 (180deg=-4.94!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 60:sc= 1.16 USER MOD Single : A 82 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.024) USER MOD Single : A 83 THR OG1 : rot 75:sc= 0.0158 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.1!) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN :FLIP amide:sc= -1.51! C(o=-2!,f=-1.5!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -54:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 526 N PHE A 34 82.982 31.805 10.446 1.00 0.00 N ATOM 527 CA PHE A 34 82.733 32.546 9.215 1.00 0.00 C ATOM 528 C PHE A 34 82.479 34.021 9.510 1.00 0.00 C ATOM 529 O PHE A 34 82.207 34.401 10.650 1.00 0.00 O ATOM 530 CB PHE A 34 81.537 31.950 8.469 1.00 0.00 C ATOM 531 CG PHE A 34 80.441 31.473 9.379 1.00 0.00 C ATOM 532 CD1 PHE A 34 79.863 32.331 10.299 1.00 0.00 C ATOM 533 CD2 PHE A 34 79.990 30.164 9.313 1.00 0.00 C ATOM 534 CE1 PHE A 34 78.854 31.895 11.137 1.00 0.00 C ATOM 535 CE2 PHE A 34 78.981 29.722 10.148 1.00 0.00 C ATOM 536 CZ PHE A 34 78.413 30.588 11.062 1.00 0.00 C ATOM 0 HA PHE A 34 83.620 32.467 8.587 1.00 0.00 H new ATOM 0 HB2 PHE A 34 81.133 32.700 7.788 1.00 0.00 H new ATOM 0 HB3 PHE A 34 81.880 31.115 7.857 1.00 0.00 H new ATOM 0 HD1 PHE A 34 80.205 33.354 10.363 1.00 0.00 H new ATOM 0 HD2 PHE A 34 80.432 29.482 8.601 1.00 0.00 H new ATOM 0 HE1 PHE A 34 78.411 32.575 11.849 1.00 0.00 H new ATOM 0 HE2 PHE A 34 78.637 28.700 10.086 1.00 0.00 H new ATOM 0 HZ PHE A 34 77.626 30.244 11.717 1.00 0.00 H new ATOM 546 N THR A 35 82.571 34.850 8.475 1.00 0.00 N ATOM 547 CA THR A 35 82.354 36.284 8.622 1.00 0.00 C ATOM 548 C THR A 35 81.053 36.714 7.953 1.00 0.00 C ATOM 549 O THR A 35 80.534 36.021 7.079 1.00 0.00 O ATOM 550 CB THR A 35 83.519 37.093 8.022 1.00 0.00 C ATOM 551 OG1 THR A 35 84.755 36.404 8.237 1.00 0.00 O ATOM 552 CG2 THR A 35 83.591 38.480 8.644 1.00 0.00 C ATOM 0 H THR A 35 82.794 34.553 7.525 1.00 0.00 H new ATOM 0 HA THR A 35 82.294 36.487 9.691 1.00 0.00 H new ATOM 0 HB THR A 35 83.345 37.201 6.951 1.00 0.00 H new ATOM 0 HG1 THR A 35 85.491 36.924 7.851 1.00 0.00 H new ATOM 0 HG21 THR A 35 84.421 39.033 8.205 1.00 0.00 H new ATOM 0 HG22 THR A 35 82.659 39.013 8.454 1.00 0.00 H new ATOM 0 HG23 THR A 35 83.744 38.389 9.719 1.00 0.00 H new ATOM 560 N VAL A 36 80.531 37.864 8.370 1.00 0.00 N ATOM 561 CA VAL A 36 79.291 38.388 7.809 1.00 0.00 C ATOM 562 C VAL A 36 79.344 38.411 6.286 1.00 0.00 C ATOM 563 O VAL A 36 78.336 38.188 5.616 1.00 0.00 O ATOM 564 CB VAL A 36 79.000 39.810 8.324 1.00 0.00 C ATOM 565 CG1 VAL A 36 80.179 40.730 8.046 1.00 0.00 C ATOM 566 CG2 VAL A 36 77.728 40.354 7.692 1.00 0.00 C ATOM 0 H VAL A 36 80.947 38.450 9.094 1.00 0.00 H new ATOM 0 HA VAL A 36 78.491 37.722 8.131 1.00 0.00 H new ATOM 0 HB VAL A 36 78.852 39.765 9.403 1.00 0.00 H new ATOM 0 HG11 VAL A 36 79.955 41.730 8.417 1.00 0.00 H new ATOM 0 HG12 VAL A 36 81.066 40.346 8.549 1.00 0.00 H new ATOM 0 HG13 VAL A 36 80.361 40.773 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 36 77.537 41.360 8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 36 77.845 40.386 6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 36 76.889 39.706 7.947 1.00 0.00 H new ATOM 576 N ALA A 37 80.527 38.682 5.744 1.00 0.00 N ATOM 577 CA ALA A 37 80.712 38.732 4.299 1.00 0.00 C ATOM 578 C ALA A 37 80.621 37.339 3.685 1.00 0.00 C ATOM 579 O ALA A 37 79.906 37.128 2.706 1.00 0.00 O ATOM 580 CB ALA A 37 82.049 39.373 3.960 1.00 0.00 C ATOM 0 H ALA A 37 81.372 38.870 6.284 1.00 0.00 H new ATOM 0 HA ALA A 37 79.912 39.340 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 37 82.174 39.404 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 37 82.077 40.388 4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 37 82.856 38.788 4.402 1.00 0.00 H new ATOM 586 N GLU A 38 81.349 36.391 4.268 1.00 0.00 N ATOM 587 CA GLU A 38 81.350 35.019 3.776 1.00 0.00 C ATOM 588 C GLU A 38 79.956 34.405 3.871 1.00 0.00 C ATOM 589 O GLU A 38 79.456 33.820 2.910 1.00 0.00 O ATOM 590 CB GLU A 38 82.348 34.170 4.568 1.00 0.00 C ATOM 591 CG GLU A 38 83.784 34.321 4.096 1.00 0.00 C ATOM 592 CD GLU A 38 84.669 33.174 4.545 1.00 0.00 C ATOM 593 OE1 GLU A 38 84.339 32.012 4.231 1.00 0.00 O ATOM 594 OE2 GLU A 38 85.691 33.440 5.211 1.00 0.00 O ATOM 0 H GLU A 38 81.945 36.548 5.081 1.00 0.00 H new ATOM 0 HA GLU A 38 81.650 35.037 2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 38 82.290 34.444 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.059 33.122 4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.800 34.383 3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 38 84.190 35.259 4.475 1.00 0.00 H new ATOM 601 N VAL A 39 79.334 34.543 5.038 1.00 0.00 N ATOM 602 CA VAL A 39 77.997 34.004 5.260 1.00 0.00 C ATOM 603 C VAL A 39 76.979 34.662 4.336 1.00 0.00 C ATOM 604 O VAL A 39 76.063 34.007 3.839 1.00 0.00 O ATOM 605 CB VAL A 39 77.549 34.198 6.720 1.00 0.00 C ATOM 606 CG1 VAL A 39 76.205 33.528 6.960 1.00 0.00 C ATOM 607 CG2 VAL A 39 78.602 33.656 7.676 1.00 0.00 C ATOM 0 H VAL A 39 79.734 35.023 5.844 1.00 0.00 H new ATOM 0 HA VAL A 39 78.046 32.937 5.041 1.00 0.00 H new ATOM 0 HB VAL A 39 77.434 35.266 6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.905 33.676 7.997 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.457 33.967 6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.289 32.461 6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 39 78.269 33.801 8.704 1.00 0.00 H new ATOM 0 HG22 VAL A 39 78.750 32.592 7.489 1.00 0.00 H new ATOM 0 HG23 VAL A 39 79.542 34.186 7.521 1.00 0.00 H new ATOM 617 N GLU A 40 77.146 35.961 4.109 1.00 0.00 N ATOM 618 CA GLU A 40 76.240 36.708 3.244 1.00 0.00 C ATOM 619 C GLU A 40 76.256 36.147 1.825 1.00 0.00 C ATOM 620 O GLU A 40 75.208 35.845 1.253 1.00 0.00 O ATOM 621 CB GLU A 40 76.624 38.189 3.223 1.00 0.00 C ATOM 622 CG GLU A 40 75.899 39.021 4.268 1.00 0.00 C ATOM 623 CD GLU A 40 74.437 39.238 3.928 1.00 0.00 C ATOM 624 OE1 GLU A 40 74.017 38.828 2.826 1.00 0.00 O ATOM 625 OE2 GLU A 40 73.713 39.818 4.764 1.00 0.00 O ATOM 0 H GLU A 40 77.900 36.518 4.512 1.00 0.00 H new ATOM 0 HA GLU A 40 75.231 36.607 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.699 38.279 3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.411 38.597 2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 40 75.974 38.527 5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 40 76.393 39.988 4.365 1.00 0.00 H new ATOM 632 N LEU A 41 77.452 36.011 1.263 1.00 0.00 N ATOM 633 CA LEU A 41 77.607 35.487 -0.089 1.00 0.00 C ATOM 634 C LEU A 41 77.178 34.025 -0.159 1.00 0.00 C ATOM 635 O LEU A 41 76.559 33.593 -1.133 1.00 0.00 O ATOM 636 CB LEU A 41 79.059 35.626 -0.549 1.00 0.00 C ATOM 637 CG LEU A 41 79.610 37.052 -0.607 1.00 0.00 C ATOM 638 CD1 LEU A 41 81.082 37.071 -0.224 1.00 0.00 C ATOM 639 CD2 LEU A 41 79.411 37.644 -1.995 1.00 0.00 C ATOM 0 H LEU A 41 78.329 36.256 1.723 1.00 0.00 H new ATOM 0 HA LEU A 41 76.965 36.068 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 41 79.689 35.041 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 41 79.149 35.182 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 41 79.061 37.663 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 41 81.457 38.093 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.199 36.688 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 41 81.646 36.446 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 41 79.809 38.659 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 41 79.934 37.032 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 41 78.347 37.666 -2.232 1.00 0.00 H new ATOM 651 N LEU A 42 77.508 33.267 0.881 1.00 0.00 N ATOM 652 CA LEU A 42 77.155 31.852 0.940 1.00 0.00 C ATOM 653 C LEU A 42 75.655 31.657 0.741 1.00 0.00 C ATOM 654 O LEU A 42 75.222 31.043 -0.234 1.00 0.00 O ATOM 655 CB LEU A 42 77.586 31.254 2.280 1.00 0.00 C ATOM 656 CG LEU A 42 76.786 30.044 2.763 1.00 0.00 C ATOM 657 CD1 LEU A 42 76.761 28.960 1.697 1.00 0.00 C ATOM 658 CD2 LEU A 42 77.368 29.504 4.062 1.00 0.00 C ATOM 0 H LEU A 42 78.019 33.608 1.695 1.00 0.00 H new ATOM 0 HA LEU A 42 77.680 31.338 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.634 30.965 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 42 77.523 32.033 3.040 1.00 0.00 H new ATOM 0 HG LEU A 42 75.761 30.362 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 42 76.187 28.107 2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 42 76.298 29.351 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.780 28.644 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.786 28.643 4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.403 29.202 3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.332 30.280 4.827 1.00 0.00 H new ATOM 670 N VAL A 43 74.867 32.185 1.672 1.00 0.00 N ATOM 671 CA VAL A 43 73.415 32.071 1.599 1.00 0.00 C ATOM 672 C VAL A 43 72.878 32.707 0.321 1.00 0.00 C ATOM 673 O VAL A 43 71.986 32.161 -0.327 1.00 0.00 O ATOM 674 CB VAL A 43 72.738 32.734 2.812 1.00 0.00 C ATOM 675 CG1 VAL A 43 73.097 31.997 4.093 1.00 0.00 C ATOM 676 CG2 VAL A 43 73.129 34.202 2.905 1.00 0.00 C ATOM 0 H VAL A 43 75.210 32.696 2.486 1.00 0.00 H new ATOM 0 HA VAL A 43 73.181 31.006 1.599 1.00 0.00 H new ATOM 0 HB VAL A 43 71.658 32.677 2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 43 72.609 32.480 4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 43 72.762 30.962 4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 43 74.177 32.020 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 43 72.641 34.654 3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 43 74.210 34.284 3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 43 72.816 34.720 1.998 1.00 0.00 H new ATOM 686 N GLU A 44 73.429 33.863 -0.035 1.00 0.00 N ATOM 687 CA GLU A 44 73.005 34.573 -1.236 1.00 0.00 C ATOM 688 C GLU A 44 73.248 33.728 -2.482 1.00 0.00 C ATOM 689 O GLU A 44 72.578 33.897 -3.501 1.00 0.00 O ATOM 690 CB GLU A 44 73.748 35.906 -1.357 1.00 0.00 C ATOM 691 CG GLU A 44 73.297 36.749 -2.537 1.00 0.00 C ATOM 692 CD GLU A 44 74.187 37.955 -2.767 1.00 0.00 C ATOM 693 OE1 GLU A 44 75.418 37.822 -2.603 1.00 0.00 O ATOM 694 OE2 GLU A 44 73.654 39.030 -3.109 1.00 0.00 O ATOM 0 H GLU A 44 74.169 34.328 0.491 1.00 0.00 H new ATOM 0 HA GLU A 44 71.936 34.768 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 44 73.606 36.476 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 44 74.816 35.710 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 44 73.287 36.133 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 44 72.274 37.084 -2.369 1.00 0.00 H new ATOM 701 N ALA A 45 74.212 32.817 -2.394 1.00 0.00 N ATOM 702 CA ALA A 45 74.544 31.944 -3.513 1.00 0.00 C ATOM 703 C ALA A 45 73.500 30.844 -3.679 1.00 0.00 C ATOM 704 O ALA A 45 73.001 30.609 -4.779 1.00 0.00 O ATOM 705 CB ALA A 45 75.926 31.338 -3.318 1.00 0.00 C ATOM 0 H ALA A 45 74.777 32.665 -1.559 1.00 0.00 H new ATOM 0 HA ALA A 45 74.548 32.545 -4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 45 76.161 30.688 -4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 45 76.667 32.135 -3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 45 75.941 30.756 -2.396 1.00 0.00 H new ATOM 711 N VAL A 46 73.175 30.172 -2.579 1.00 0.00 N ATOM 712 CA VAL A 46 72.191 29.097 -2.603 1.00 0.00 C ATOM 713 C VAL A 46 70.779 29.648 -2.766 1.00 0.00 C ATOM 714 O VAL A 46 69.923 29.014 -3.381 1.00 0.00 O ATOM 715 CB VAL A 46 72.254 28.250 -1.318 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.338 29.145 -0.091 1.00 0.00 C ATOM 717 CG2 VAL A 46 71.050 27.324 -1.231 1.00 0.00 C ATOM 0 H VAL A 46 73.579 30.353 -1.660 1.00 0.00 H new ATOM 0 HA VAL A 46 72.433 28.466 -3.458 1.00 0.00 H new ATOM 0 HB VAL A 46 73.154 27.636 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.382 28.528 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 46 73.235 29.762 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.458 29.787 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 46 71.111 26.733 -0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 46 70.135 27.917 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.040 26.658 -2.094 1.00 0.00 H new ATOM 727 N GLU A 47 70.544 30.834 -2.212 1.00 0.00 N ATOM 728 CA GLU A 47 69.235 31.470 -2.297 1.00 0.00 C ATOM 729 C GLU A 47 68.961 31.965 -3.714 1.00 0.00 C ATOM 730 O GLU A 47 67.817 31.981 -4.168 1.00 0.00 O ATOM 731 CB GLU A 47 69.146 32.637 -1.311 1.00 0.00 C ATOM 732 CG GLU A 47 69.584 33.967 -1.902 1.00 0.00 C ATOM 733 CD GLU A 47 69.531 35.098 -0.893 1.00 0.00 C ATOM 734 OE1 GLU A 47 69.575 34.814 0.322 1.00 0.00 O ATOM 735 OE2 GLU A 47 69.446 36.269 -1.320 1.00 0.00 O ATOM 0 H GLU A 47 71.243 31.373 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 47 68.481 30.727 -2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 47 68.119 32.726 -0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 47 69.764 32.415 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 47 70.600 33.873 -2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 47 68.945 34.212 -2.751 1.00 0.00 H new ATOM 742 N HIS A 48 70.021 32.368 -4.409 1.00 0.00 N ATOM 743 CA HIS A 48 69.896 32.864 -5.775 1.00 0.00 C ATOM 744 C HIS A 48 69.567 31.727 -6.737 1.00 0.00 C ATOM 745 O HIS A 48 68.947 31.941 -7.780 1.00 0.00 O ATOM 746 CB HIS A 48 71.187 33.557 -6.208 1.00 0.00 C ATOM 747 CG HIS A 48 71.072 34.272 -7.519 1.00 0.00 C ATOM 748 ND1 HIS A 48 71.039 35.647 -7.626 1.00 0.00 N ATOM 749 CD2 HIS A 48 70.984 33.796 -8.783 1.00 0.00 C ATOM 750 CE1 HIS A 48 70.934 35.985 -8.899 1.00 0.00 C ATOM 751 NE2 HIS A 48 70.899 34.880 -9.622 1.00 0.00 N ATOM 0 H HIS A 48 70.975 32.361 -4.049 1.00 0.00 H new ATOM 0 HA HIS A 48 69.080 33.586 -5.801 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.482 34.271 -5.439 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.983 32.815 -6.277 1.00 0.00 H new ATOM 0 HD2 HIS A 48 70.981 32.757 -9.077 1.00 0.00 H new ATOM 0 HE1 HIS A 48 70.885 36.993 -9.283 1.00 0.00 H new ATOM 0 HE2 HIS A 48 70.821 34.839 -10.638 1.00 0.00 H new ATOM 759 N LEU A 49 69.986 30.517 -6.381 1.00 0.00 N ATOM 760 CA LEU A 49 69.736 29.346 -7.214 1.00 0.00 C ATOM 761 C LEU A 49 68.659 28.459 -6.598 1.00 0.00 C ATOM 762 O LEU A 49 68.244 27.465 -7.192 1.00 0.00 O ATOM 763 CB LEU A 49 71.026 28.545 -7.402 1.00 0.00 C ATOM 764 CG LEU A 49 72.214 29.313 -7.982 1.00 0.00 C ATOM 765 CD1 LEU A 49 73.507 28.543 -7.761 1.00 0.00 C ATOM 766 CD2 LEU A 49 72.001 29.586 -9.463 1.00 0.00 C ATOM 0 H LEU A 49 70.500 30.322 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 49 69.384 29.691 -8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 49 71.320 28.136 -6.435 1.00 0.00 H new ATOM 0 HB3 LEU A 49 70.813 27.698 -8.055 1.00 0.00 H new ATOM 0 HG LEU A 49 72.291 30.269 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 49 74.341 29.105 -8.180 1.00 0.00 H new ATOM 0 HD12 LEU A 49 73.667 28.399 -6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 49 73.441 27.572 -8.252 1.00 0.00 H new ATOM 0 HD21 LEU A 49 72.856 30.133 -9.859 1.00 0.00 H new ATOM 0 HD22 LEU A 49 71.897 28.641 -9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 49 71.097 30.180 -9.597 1.00 0.00 H new ATOM 778 N GLY A 50 68.209 28.827 -5.402 1.00 0.00 N ATOM 779 CA GLY A 50 67.183 28.055 -4.725 1.00 0.00 C ATOM 780 C GLY A 50 67.615 26.628 -4.453 1.00 0.00 C ATOM 781 O GLY A 50 68.586 26.391 -3.732 1.00 0.00 O ATOM 0 H GLY A 50 68.537 29.646 -4.890 1.00 0.00 H new ATOM 0 HA2 GLY A 50 66.930 28.541 -3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.278 28.048 -5.333 1.00 0.00 H new ATOM 785 N THR A 51 66.893 25.672 -5.029 1.00 0.00 N ATOM 786 CA THR A 51 67.205 24.261 -4.843 1.00 0.00 C ATOM 787 C THR A 51 67.709 23.634 -6.138 1.00 0.00 C ATOM 788 O THR A 51 67.483 22.452 -6.396 1.00 0.00 O ATOM 789 CB THR A 51 65.977 23.474 -4.349 1.00 0.00 C ATOM 790 OG1 THR A 51 64.932 23.532 -5.327 1.00 0.00 O ATOM 791 CG2 THR A 51 65.472 24.033 -3.027 1.00 0.00 C ATOM 0 H THR A 51 66.087 25.850 -5.629 1.00 0.00 H new ATOM 0 HA THR A 51 67.989 24.208 -4.087 1.00 0.00 H new ATOM 0 HB THR A 51 66.275 22.437 -4.197 1.00 0.00 H new ATOM 0 HG1 THR A 51 64.155 23.028 -5.006 1.00 0.00 H new ATOM 0 HG21 THR A 51 64.604 23.461 -2.698 1.00 0.00 H new ATOM 0 HG22 THR A 51 66.260 23.961 -2.277 1.00 0.00 H new ATOM 0 HG23 THR A 51 65.190 25.078 -3.158 1.00 0.00 H new ATOM 799 N GLY A 52 68.395 24.433 -6.950 1.00 0.00 N ATOM 800 CA GLY A 52 68.921 23.937 -8.208 1.00 0.00 C ATOM 801 C GLY A 52 69.902 22.797 -8.018 1.00 0.00 C ATOM 802 O GLY A 52 69.512 21.629 -8.006 1.00 0.00 O ATOM 0 H GLY A 52 68.596 25.415 -6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.096 23.601 -8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.414 24.752 -8.738 1.00 0.00 H new ATOM 806 N ARG A 53 71.178 23.136 -7.871 1.00 0.00 N ATOM 807 CA ARG A 53 72.218 22.131 -7.683 1.00 0.00 C ATOM 808 C ARG A 53 73.312 22.648 -6.753 1.00 0.00 C ATOM 809 O ARG A 53 73.581 23.848 -6.702 1.00 0.00 O ATOM 810 CB ARG A 53 72.825 21.737 -9.031 1.00 0.00 C ATOM 811 CG ARG A 53 72.027 20.676 -9.771 1.00 0.00 C ATOM 812 CD ARG A 53 72.191 19.307 -9.130 1.00 0.00 C ATOM 813 NE ARG A 53 71.245 18.333 -9.668 1.00 0.00 N ATOM 814 CZ ARG A 53 71.337 17.817 -10.888 1.00 0.00 C ATOM 815 NH1 ARG A 53 72.326 18.179 -11.693 1.00 0.00 N ATOM 816 NH2 ARG A 53 70.437 16.936 -11.306 1.00 0.00 N ATOM 0 H ARG A 53 71.517 24.098 -7.878 1.00 0.00 H new ATOM 0 HA ARG A 53 71.761 21.253 -7.226 1.00 0.00 H new ATOM 0 HB2 ARG A 53 72.902 22.625 -9.659 1.00 0.00 H new ATOM 0 HB3 ARG A 53 73.839 21.371 -8.870 1.00 0.00 H new ATOM 0 HG2 ARG A 53 70.972 20.952 -9.778 1.00 0.00 H new ATOM 0 HG3 ARG A 53 72.352 20.634 -10.810 1.00 0.00 H new ATOM 0 HD2 ARG A 53 73.209 18.951 -9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 53 72.050 19.392 -8.053 1.00 0.00 H new ATOM 0 HE ARG A 53 70.472 18.033 -9.074 1.00 0.00 H new ATOM 0 HH11 ARG A 53 73.020 18.856 -11.376 1.00 0.00 H new ATOM 0 HH12 ARG A 53 72.393 17.780 -12.629 1.00 0.00 H new ATOM 0 HH21 ARG A 53 69.674 16.655 -10.690 1.00 0.00 H new ATOM 0 HH22 ARG A 53 70.508 16.540 -12.243 1.00 0.00 H new ATOM 830 N TRP A 54 73.937 21.735 -6.019 1.00 0.00 N ATOM 831 CA TRP A 54 75.001 22.099 -5.090 1.00 0.00 C ATOM 832 C TRP A 54 76.194 22.690 -5.833 1.00 0.00 C ATOM 833 O TRP A 54 76.835 23.624 -5.351 1.00 0.00 O ATOM 834 CB TRP A 54 75.442 20.876 -4.283 1.00 0.00 C ATOM 835 CG TRP A 54 74.295 20.082 -3.734 1.00 0.00 C ATOM 836 CD1 TRP A 54 73.080 20.563 -3.339 1.00 0.00 C ATOM 837 CD2 TRP A 54 74.259 18.667 -3.516 1.00 0.00 C ATOM 838 NE1 TRP A 54 72.290 19.533 -2.889 1.00 0.00 N ATOM 839 CE2 TRP A 54 72.989 18.360 -2.989 1.00 0.00 C ATOM 840 CE3 TRP A 54 75.174 17.631 -3.718 1.00 0.00 C ATOM 841 CZ2 TRP A 54 72.615 17.059 -2.661 1.00 0.00 C ATOM 842 CZ3 TRP A 54 74.801 16.341 -3.392 1.00 0.00 C ATOM 843 CH2 TRP A 54 73.531 16.064 -2.868 1.00 0.00 C ATOM 0 H TRP A 54 73.726 20.738 -6.049 1.00 0.00 H new ATOM 0 HA TRP A 54 74.611 22.855 -4.408 1.00 0.00 H new ATOM 0 HB2 TRP A 54 76.051 20.231 -4.917 1.00 0.00 H new ATOM 0 HB3 TRP A 54 76.076 21.203 -3.459 1.00 0.00 H new ATOM 0 HD1 TRP A 54 72.783 21.601 -3.375 1.00 0.00 H new ATOM 0 HE1 TRP A 54 71.337 19.627 -2.537 1.00 0.00 H new ATOM 0 HE3 TRP A 54 76.155 17.834 -4.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 71.637 16.843 -2.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 75.500 15.532 -3.544 1.00 0.00 H new ATOM 0 HH2 TRP A 54 73.270 15.045 -2.623 1.00 0.00 H new ATOM 854 N ARG A 55 76.485 22.141 -7.007 1.00 0.00 N ATOM 855 CA ARG A 55 77.602 22.614 -7.816 1.00 0.00 C ATOM 856 C ARG A 55 77.334 24.020 -8.344 1.00 0.00 C ATOM 857 O ARG A 55 78.262 24.792 -8.583 1.00 0.00 O ATOM 858 CB ARG A 55 77.856 21.658 -8.983 1.00 0.00 C ATOM 859 CG ARG A 55 76.670 21.517 -9.923 1.00 0.00 C ATOM 860 CD ARG A 55 76.994 20.606 -11.096 1.00 0.00 C ATOM 861 NE ARG A 55 77.624 21.332 -12.196 1.00 0.00 N ATOM 862 CZ ARG A 55 77.707 20.861 -13.435 1.00 0.00 C ATOM 863 NH1 ARG A 55 77.203 19.671 -13.731 1.00 0.00 N ATOM 864 NH2 ARG A 55 78.295 21.582 -14.382 1.00 0.00 N ATOM 0 H ARG A 55 75.963 21.368 -7.420 1.00 0.00 H new ATOM 0 HA ARG A 55 78.489 22.646 -7.183 1.00 0.00 H new ATOM 0 HB2 ARG A 55 78.718 22.010 -9.549 1.00 0.00 H new ATOM 0 HB3 ARG A 55 78.114 20.676 -8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 55 75.816 21.118 -9.376 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.379 22.500 -10.294 1.00 0.00 H new ATOM 0 HD2 ARG A 55 77.657 19.807 -10.762 1.00 0.00 H new ATOM 0 HD3 ARG A 55 76.078 20.133 -11.451 1.00 0.00 H new ATOM 0 HE ARG A 55 78.022 22.251 -12.002 1.00 0.00 H new ATOM 0 HH11 ARG A 55 76.750 19.114 -13.006 1.00 0.00 H new ATOM 0 HH12 ARG A 55 77.268 19.312 -14.684 1.00 0.00 H new ATOM 0 HH21 ARG A 55 78.683 22.498 -14.158 1.00 0.00 H new ATOM 0 HH22 ARG A 55 78.358 21.220 -15.333 1.00 0.00 H new ATOM 878 N ASP A 56 76.058 24.344 -8.525 1.00 0.00 N ATOM 879 CA ASP A 56 75.667 25.657 -9.026 1.00 0.00 C ATOM 880 C ASP A 56 75.951 26.740 -7.990 1.00 0.00 C ATOM 881 O ASP A 56 76.530 27.780 -8.306 1.00 0.00 O ATOM 882 CB ASP A 56 74.182 25.664 -9.395 1.00 0.00 C ATOM 883 CG ASP A 56 73.899 26.482 -10.639 1.00 0.00 C ATOM 884 OD1 ASP A 56 74.806 27.215 -11.087 1.00 0.00 O ATOM 885 OD2 ASP A 56 72.771 26.388 -11.166 1.00 0.00 O ATOM 0 H ASP A 56 75.278 23.716 -8.332 1.00 0.00 H new ATOM 0 HA ASP A 56 76.256 25.869 -9.918 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.845 24.640 -9.553 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.605 26.064 -8.561 1.00 0.00 H new ATOM 890 N VAL A 57 75.539 26.490 -6.751 1.00 0.00 N ATOM 891 CA VAL A 57 75.749 27.443 -5.668 1.00 0.00 C ATOM 892 C VAL A 57 77.227 27.554 -5.312 1.00 0.00 C ATOM 893 O VAL A 57 77.714 28.629 -4.961 1.00 0.00 O ATOM 894 CB VAL A 57 74.957 27.045 -4.408 1.00 0.00 C ATOM 895 CG1 VAL A 57 75.223 25.591 -4.048 1.00 0.00 C ATOM 896 CG2 VAL A 57 75.308 27.963 -3.247 1.00 0.00 C ATOM 0 H VAL A 57 75.058 25.635 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 57 75.390 28.409 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 57 73.893 27.154 -4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 57 74.655 25.327 -3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 57 74.918 24.950 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 57 76.287 25.453 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 57 74.740 27.668 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 57 76.374 27.888 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 57 75.062 28.992 -3.509 1.00 0.00 H new ATOM 906 N LYS A 58 77.938 26.435 -5.406 1.00 0.00 N ATOM 907 CA LYS A 58 79.362 26.405 -5.096 1.00 0.00 C ATOM 908 C LYS A 58 80.169 27.117 -6.177 1.00 0.00 C ATOM 909 O LYS A 58 81.248 27.649 -5.912 1.00 0.00 O ATOM 910 CB LYS A 58 79.844 24.960 -4.954 1.00 0.00 C ATOM 911 CG LYS A 58 80.413 24.379 -6.237 1.00 0.00 C ATOM 912 CD LYS A 58 81.909 24.624 -6.345 1.00 0.00 C ATOM 913 CE LYS A 58 82.706 23.479 -5.738 1.00 0.00 C ATOM 914 NZ LYS A 58 83.034 23.729 -4.307 1.00 0.00 N ATOM 0 H LYS A 58 77.551 25.537 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 58 79.513 26.926 -4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 58 80.606 24.915 -4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 58 79.012 24.339 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 58 80.216 23.308 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 58 79.908 24.824 -7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.184 24.745 -7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.164 25.555 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 58 82.136 22.554 -5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 58 83.628 23.339 -6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 83.801 23.092 -4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 83.338 24.716 -4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 82.192 23.553 -3.722 1.00 0.00 H new ATOM 928 N PHE A 59 79.640 27.125 -7.396 1.00 0.00 N ATOM 929 CA PHE A 59 80.311 27.773 -8.517 1.00 0.00 C ATOM 930 C PHE A 59 79.935 29.249 -8.596 1.00 0.00 C ATOM 931 O PHE A 59 80.797 30.112 -8.769 1.00 0.00 O ATOM 932 CB PHE A 59 79.951 27.072 -9.829 1.00 0.00 C ATOM 933 CG PHE A 59 80.671 27.629 -11.023 1.00 0.00 C ATOM 934 CD1 PHE A 59 82.053 27.566 -11.107 1.00 0.00 C ATOM 935 CD2 PHE A 59 79.967 28.214 -12.063 1.00 0.00 C ATOM 936 CE1 PHE A 59 82.718 28.078 -12.205 1.00 0.00 C ATOM 937 CE2 PHE A 59 80.626 28.728 -13.163 1.00 0.00 C ATOM 938 CZ PHE A 59 82.004 28.659 -13.235 1.00 0.00 C ATOM 0 H PHE A 59 78.748 26.690 -7.633 1.00 0.00 H new ATOM 0 HA PHE A 59 81.387 27.698 -8.357 1.00 0.00 H new ATOM 0 HB2 PHE A 59 80.180 26.010 -9.739 1.00 0.00 H new ATOM 0 HB3 PHE A 59 78.876 27.153 -9.992 1.00 0.00 H new ATOM 0 HD1 PHE A 59 82.617 27.112 -10.305 1.00 0.00 H new ATOM 0 HD2 PHE A 59 78.890 28.269 -12.013 1.00 0.00 H new ATOM 0 HE1 PHE A 59 83.795 28.024 -12.258 1.00 0.00 H new ATOM 0 HE2 PHE A 59 80.065 29.183 -13.966 1.00 0.00 H new ATOM 0 HZ PHE A 59 82.522 29.058 -14.095 1.00 0.00 H new ATOM 948 N ARG A 60 78.643 29.533 -8.470 1.00 0.00 N ATOM 949 CA ARG A 60 78.152 30.904 -8.529 1.00 0.00 C ATOM 950 C ARG A 60 78.826 31.769 -7.468 1.00 0.00 C ATOM 951 O ARG A 60 79.303 32.865 -7.758 1.00 0.00 O ATOM 952 CB ARG A 60 76.635 30.934 -8.339 1.00 0.00 C ATOM 953 CG ARG A 60 76.006 32.280 -8.662 1.00 0.00 C ATOM 954 CD ARG A 60 74.541 32.322 -8.258 1.00 0.00 C ATOM 955 NE ARG A 60 74.306 33.237 -7.144 1.00 0.00 N ATOM 956 CZ ARG A 60 74.374 34.559 -7.253 1.00 0.00 C ATOM 957 NH1 ARG A 60 74.669 35.117 -8.419 1.00 0.00 N ATOM 958 NH2 ARG A 60 74.148 35.326 -6.194 1.00 0.00 N ATOM 0 H ARG A 60 77.917 28.831 -8.326 1.00 0.00 H new ATOM 0 HA ARG A 60 78.396 31.309 -9.511 1.00 0.00 H new ATOM 0 HB2 ARG A 60 76.183 30.170 -8.972 1.00 0.00 H new ATOM 0 HB3 ARG A 60 76.402 30.672 -7.307 1.00 0.00 H new ATOM 0 HG2 ARG A 60 76.550 33.070 -8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 60 76.096 32.478 -9.730 1.00 0.00 H new ATOM 0 HD2 ARG A 60 73.938 32.629 -9.113 1.00 0.00 H new ATOM 0 HD3 ARG A 60 74.213 31.320 -7.980 1.00 0.00 H new ATOM 0 HE ARG A 60 74.077 32.839 -6.233 1.00 0.00 H new ATOM 0 HH11 ARG A 60 74.844 34.531 -9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 60 74.721 36.132 -8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 60 73.922 34.900 -5.295 1.00 0.00 H new ATOM 0 HH22 ARG A 60 74.201 36.341 -6.279 1.00 0.00 H new ATOM 972 N ALA A 61 78.859 31.268 -6.237 1.00 0.00 N ATOM 973 CA ALA A 61 79.475 31.994 -5.133 1.00 0.00 C ATOM 974 C ALA A 61 80.952 32.258 -5.406 1.00 0.00 C ATOM 975 O ALA A 61 81.337 33.368 -5.773 1.00 0.00 O ATOM 976 CB ALA A 61 79.307 31.220 -3.834 1.00 0.00 C ATOM 0 H ALA A 61 78.466 30.362 -5.980 1.00 0.00 H new ATOM 0 HA ALA A 61 78.972 32.956 -5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 61 79.772 31.773 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.246 31.087 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 61 79.783 30.244 -3.928 1.00 0.00 H new ATOM 982 N PHE A 62 81.776 31.231 -5.224 1.00 0.00 N ATOM 983 CA PHE A 62 83.211 31.353 -5.449 1.00 0.00 C ATOM 984 C PHE A 62 83.894 29.992 -5.358 1.00 0.00 C ATOM 985 O PHE A 62 84.232 29.528 -4.269 1.00 0.00 O ATOM 986 CB PHE A 62 83.828 32.315 -4.432 1.00 0.00 C ATOM 987 CG PHE A 62 84.091 33.686 -4.986 1.00 0.00 C ATOM 988 CD1 PHE A 62 84.963 33.863 -6.048 1.00 0.00 C ATOM 989 CD2 PHE A 62 83.466 34.798 -4.445 1.00 0.00 C ATOM 990 CE1 PHE A 62 85.207 35.124 -6.559 1.00 0.00 C ATOM 991 CE2 PHE A 62 83.706 36.061 -4.952 1.00 0.00 C ATOM 992 CZ PHE A 62 84.577 36.224 -6.011 1.00 0.00 C ATOM 0 H PHE A 62 81.474 30.305 -4.921 1.00 0.00 H new ATOM 0 HA PHE A 62 83.363 31.749 -6.453 1.00 0.00 H new ATOM 0 HB2 PHE A 62 83.161 32.400 -3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 62 84.765 31.894 -4.067 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.458 33.006 -6.481 1.00 0.00 H new ATOM 0 HD2 PHE A 62 82.783 34.676 -3.617 1.00 0.00 H new ATOM 0 HE1 PHE A 62 85.890 35.249 -7.386 1.00 0.00 H new ATOM 0 HE2 PHE A 62 83.213 36.920 -4.520 1.00 0.00 H new ATOM 0 HZ PHE A 62 84.765 37.210 -6.410 1.00 0.00 H new ATOM 1002 N GLU A 63 84.092 29.357 -6.509 1.00 0.00 N ATOM 1003 CA GLU A 63 84.733 28.048 -6.559 1.00 0.00 C ATOM 1004 C GLU A 63 86.134 28.105 -5.957 1.00 0.00 C ATOM 1005 O GLU A 63 86.697 27.082 -5.570 1.00 0.00 O ATOM 1006 CB GLU A 63 84.806 27.546 -8.002 1.00 0.00 C ATOM 1007 CG GLU A 63 85.259 26.100 -8.121 1.00 0.00 C ATOM 1008 CD GLU A 63 84.850 25.467 -9.437 1.00 0.00 C ATOM 1009 OE1 GLU A 63 85.033 26.115 -10.489 1.00 0.00 O ATOM 1010 OE2 GLU A 63 84.348 24.324 -9.415 1.00 0.00 O ATOM 0 H GLU A 63 83.818 29.728 -7.419 1.00 0.00 H new ATOM 0 HA GLU A 63 84.132 27.355 -5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 63 83.824 27.650 -8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.491 28.180 -8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 63 86.343 26.054 -8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 63 84.838 25.522 -7.298 1.00 0.00 H new ATOM 1081 N ARG A 68 86.198 25.438 0.446 1.00 0.00 N ATOM 1082 CA ARG A 68 84.860 24.977 0.795 1.00 0.00 C ATOM 1083 C ARG A 68 84.350 23.966 -0.228 1.00 0.00 C ATOM 1084 O ARG A 68 85.008 23.696 -1.233 1.00 0.00 O ATOM 1085 CB ARG A 68 83.896 26.162 0.881 1.00 0.00 C ATOM 1086 CG ARG A 68 84.157 27.075 2.068 1.00 0.00 C ATOM 1087 CD ARG A 68 83.742 26.420 3.376 1.00 0.00 C ATOM 1088 NE ARG A 68 83.481 27.404 4.422 1.00 0.00 N ATOM 1089 CZ ARG A 68 84.431 28.125 5.007 1.00 0.00 C ATOM 1090 NH1 ARG A 68 85.698 27.973 4.649 1.00 0.00 N ATOM 1091 NH2 ARG A 68 84.114 29.002 5.951 1.00 0.00 N ATOM 0 HA ARG A 68 84.913 24.489 1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 68 83.967 26.745 -0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 68 82.875 25.785 0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 68 85.216 27.329 2.107 1.00 0.00 H new ATOM 0 HG3 ARG A 68 83.610 28.009 1.938 1.00 0.00 H new ATOM 0 HD2 ARG A 68 82.848 25.819 3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 68 84.527 25.740 3.706 1.00 0.00 H new ATOM 0 HE ARG A 68 82.516 27.546 4.720 1.00 0.00 H new ATOM 0 HH11 ARG A 68 85.946 27.301 3.923 1.00 0.00 H new ATOM 0 HH12 ARG A 68 86.425 28.528 5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 68 83.140 29.123 6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 68 84.844 29.555 6.399 1.00 0.00 H new ATOM 1105 N THR A 69 83.172 23.407 0.037 1.00 0.00 N ATOM 1106 CA THR A 69 82.575 22.425 -0.858 1.00 0.00 C ATOM 1107 C THR A 69 81.102 22.732 -1.107 1.00 0.00 C ATOM 1108 O THR A 69 80.425 23.306 -0.255 1.00 0.00 O ATOM 1109 CB THR A 69 82.701 20.998 -0.291 1.00 0.00 C ATOM 1110 OG1 THR A 69 84.047 20.758 0.135 1.00 0.00 O ATOM 1111 CG2 THR A 69 82.301 19.964 -1.332 1.00 0.00 C ATOM 0 H THR A 69 82.614 23.618 0.864 1.00 0.00 H new ATOM 0 HA THR A 69 83.120 22.483 -1.800 1.00 0.00 H new ATOM 0 HB THR A 69 82.029 20.909 0.562 1.00 0.00 H new ATOM 0 HG1 THR A 69 84.119 19.850 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.398 18.965 -0.908 1.00 0.00 H new ATOM 0 HG22 THR A 69 81.267 20.132 -1.633 1.00 0.00 H new ATOM 0 HG23 THR A 69 82.951 20.054 -2.202 1.00 0.00 H new ATOM 1119 N TYR A 70 80.613 22.344 -2.280 1.00 0.00 N ATOM 1120 CA TYR A 70 79.220 22.580 -2.642 1.00 0.00 C ATOM 1121 C TYR A 70 78.283 22.122 -1.528 1.00 0.00 C ATOM 1122 O TYR A 70 77.320 22.811 -1.188 1.00 0.00 O ATOM 1123 CB TYR A 70 78.879 21.851 -3.942 1.00 0.00 C ATOM 1124 CG TYR A 70 79.294 20.397 -3.949 1.00 0.00 C ATOM 1125 CD1 TYR A 70 78.430 19.406 -3.499 1.00 0.00 C ATOM 1126 CD2 TYR A 70 80.550 20.015 -4.403 1.00 0.00 C ATOM 1127 CE1 TYR A 70 78.806 18.076 -3.502 1.00 0.00 C ATOM 1128 CE2 TYR A 70 80.934 18.688 -4.411 1.00 0.00 C ATOM 1129 CZ TYR A 70 80.058 17.722 -3.959 1.00 0.00 C ATOM 1130 OH TYR A 70 80.437 16.399 -3.965 1.00 0.00 O ATOM 0 H TYR A 70 81.160 21.865 -2.996 1.00 0.00 H new ATOM 0 HA TYR A 70 79.085 23.652 -2.788 1.00 0.00 H new ATOM 0 HB2 TYR A 70 77.804 21.914 -4.113 1.00 0.00 H new ATOM 0 HB3 TYR A 70 79.364 22.362 -4.773 1.00 0.00 H new ATOM 0 HD1 TYR A 70 77.448 19.680 -3.141 1.00 0.00 H new ATOM 0 HD2 TYR A 70 81.238 20.769 -4.756 1.00 0.00 H new ATOM 0 HE1 TYR A 70 78.123 17.318 -3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 70 81.914 18.408 -4.769 1.00 0.00 H new ATOM 0 HH TYR A 70 81.348 16.321 -4.318 1.00 0.00 H new ATOM 1140 N VAL A 71 78.572 20.955 -0.963 1.00 0.00 N ATOM 1141 CA VAL A 71 77.758 20.404 0.114 1.00 0.00 C ATOM 1142 C VAL A 71 77.839 21.273 1.364 1.00 0.00 C ATOM 1143 O VAL A 71 76.868 21.395 2.112 1.00 0.00 O ATOM 1144 CB VAL A 71 78.193 18.970 0.470 1.00 0.00 C ATOM 1145 CG1 VAL A 71 79.654 18.945 0.894 1.00 0.00 C ATOM 1146 CG2 VAL A 71 77.303 18.399 1.563 1.00 0.00 C ATOM 0 H VAL A 71 79.364 20.372 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 71 76.729 20.385 -0.246 1.00 0.00 H new ATOM 0 HB VAL A 71 78.086 18.346 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 71 79.944 17.924 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 71 80.276 19.311 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 71 79.790 19.583 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 71 77.625 17.385 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 71 77.376 19.022 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 71 76.269 18.380 1.217 1.00 0.00 H new ATOM 1156 N ASP A 72 79.002 21.876 1.584 1.00 0.00 N ATOM 1157 CA ASP A 72 79.210 22.736 2.744 1.00 0.00 C ATOM 1158 C ASP A 72 78.322 23.974 2.668 1.00 0.00 C ATOM 1159 O ASP A 72 77.739 24.394 3.668 1.00 0.00 O ATOM 1160 CB ASP A 72 80.679 23.152 2.840 1.00 0.00 C ATOM 1161 CG ASP A 72 81.611 21.962 2.956 1.00 0.00 C ATOM 1162 OD1 ASP A 72 81.111 20.819 3.016 1.00 0.00 O ATOM 1163 OD2 ASP A 72 82.841 22.173 2.986 1.00 0.00 O ATOM 0 H ASP A 72 79.815 21.785 0.975 1.00 0.00 H new ATOM 0 HA ASP A 72 78.941 22.172 3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 72 80.947 23.735 1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 72 80.814 23.801 3.705 1.00 0.00 H new ATOM 1168 N LEU A 73 78.225 24.554 1.477 1.00 0.00 N ATOM 1169 CA LEU A 73 77.408 25.745 1.271 1.00 0.00 C ATOM 1170 C LEU A 73 75.928 25.430 1.462 1.00 0.00 C ATOM 1171 O LEU A 73 75.223 26.127 2.193 1.00 0.00 O ATOM 1172 CB LEU A 73 77.644 26.312 -0.130 1.00 0.00 C ATOM 1173 CG LEU A 73 79.099 26.600 -0.502 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.173 27.673 -1.577 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.891 27.018 0.728 1.00 0.00 C ATOM 0 H LEU A 73 78.702 24.219 0.640 1.00 0.00 H new ATOM 0 HA LEU A 73 77.700 26.489 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.236 25.610 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 73 77.076 27.237 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 73 79.540 25.686 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 73 80.216 27.865 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.641 27.334 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.715 28.590 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.924 27.219 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.450 27.919 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.867 26.216 1.466 1.00 0.00 H new ATOM 1187 N LYS A 74 75.462 24.375 0.801 1.00 0.00 N ATOM 1188 CA LYS A 74 74.067 23.965 0.900 1.00 0.00 C ATOM 1189 C LYS A 74 73.728 23.529 2.322 1.00 0.00 C ATOM 1190 O LYS A 74 72.680 23.889 2.859 1.00 0.00 O ATOM 1191 CB LYS A 74 73.779 22.823 -0.077 1.00 0.00 C ATOM 1192 CG LYS A 74 72.337 22.776 -0.550 1.00 0.00 C ATOM 1193 CD LYS A 74 71.420 22.192 0.512 1.00 0.00 C ATOM 1194 CE LYS A 74 70.069 21.805 -0.069 1.00 0.00 C ATOM 1195 NZ LYS A 74 69.309 20.907 0.844 1.00 0.00 N ATOM 0 H LYS A 74 76.031 23.789 0.191 1.00 0.00 H new ATOM 0 HA LYS A 74 73.443 24.821 0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 74 74.433 22.923 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 74 74.027 21.876 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 74 72.004 23.782 -0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 74 72.271 22.177 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 74 71.890 21.315 0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 74 71.278 22.919 1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 74 69.485 22.705 -0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 74 70.215 21.308 -1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 68.394 20.666 0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 69.854 20.037 1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 69.147 21.390 1.751 1.00 0.00 H new ATOM 1209 N ASP A 75 74.620 22.753 2.927 1.00 0.00 N ATOM 1210 CA ASP A 75 74.416 22.270 4.288 1.00 0.00 C ATOM 1211 C ASP A 75 74.466 23.423 5.286 1.00 0.00 C ATOM 1212 O ASP A 75 73.706 23.452 6.255 1.00 0.00 O ATOM 1213 CB ASP A 75 75.474 21.225 4.645 1.00 0.00 C ATOM 1214 CG ASP A 75 75.106 20.427 5.881 1.00 0.00 C ATOM 1215 OD1 ASP A 75 75.133 21.004 6.988 1.00 0.00 O ATOM 1216 OD2 ASP A 75 74.792 19.226 5.741 1.00 0.00 O ATOM 0 H ASP A 75 75.492 22.445 2.497 1.00 0.00 H new ATOM 0 HA ASP A 75 73.429 21.809 4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 75 75.607 20.545 3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 75 76.430 21.722 4.808 1.00 0.00 H new ATOM 1221 N LYS A 76 75.365 24.371 5.044 1.00 0.00 N ATOM 1222 CA LYS A 76 75.514 25.526 5.921 1.00 0.00 C ATOM 1223 C LYS A 76 74.227 26.344 5.968 1.00 0.00 C ATOM 1224 O LYS A 76 73.746 26.700 7.043 1.00 0.00 O ATOM 1225 CB LYS A 76 76.673 26.406 5.446 1.00 0.00 C ATOM 1226 CG LYS A 76 78.015 26.018 6.043 1.00 0.00 C ATOM 1227 CD LYS A 76 79.166 26.674 5.299 1.00 0.00 C ATOM 1228 CE LYS A 76 79.574 27.987 5.949 1.00 0.00 C ATOM 1229 NZ LYS A 76 80.431 28.808 5.051 1.00 0.00 N ATOM 0 H LYS A 76 76.002 24.362 4.247 1.00 0.00 H new ATOM 0 HA LYS A 76 75.729 25.162 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 76 76.739 26.351 4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.458 27.444 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 76 78.045 26.310 7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 76 78.129 24.935 6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 76 80.020 25.997 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 76 78.876 26.854 4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 76 78.681 28.553 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 76 80.111 27.782 6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 81.363 28.945 5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 80.546 28.320 4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 79.983 29.733 4.894 1.00 0.00 H new ATOM 1243 N TRP A 77 73.674 26.635 4.796 1.00 0.00 N ATOM 1244 CA TRP A 77 72.442 27.410 4.704 1.00 0.00 C ATOM 1245 C TRP A 77 71.293 26.690 5.402 1.00 0.00 C ATOM 1246 O TRP A 77 70.582 27.277 6.217 1.00 0.00 O ATOM 1247 CB TRP A 77 72.085 27.666 3.239 1.00 0.00 C ATOM 1248 CG TRP A 77 70.691 28.184 3.050 1.00 0.00 C ATOM 1249 CD1 TRP A 77 70.271 29.477 3.183 1.00 0.00 C ATOM 1250 CD2 TRP A 77 69.534 27.419 2.694 1.00 0.00 C ATOM 1251 NE1 TRP A 77 68.923 29.562 2.932 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.447 28.313 2.629 1.00 0.00 C ATOM 1253 CE3 TRP A 77 69.310 26.067 2.422 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 67.159 27.897 2.305 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 68.031 25.655 2.101 1.00 0.00 C ATOM 1256 CH2 TRP A 77 66.969 26.567 2.043 1.00 0.00 C ATOM 0 H TRP A 77 74.059 26.346 3.897 1.00 0.00 H new ATOM 0 HA TRP A 77 72.604 28.365 5.203 1.00 0.00 H new ATOM 0 HB2 TRP A 77 72.791 28.383 2.820 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.200 26.739 2.677 1.00 0.00 H new ATOM 0 HD1 TRP A 77 70.906 30.310 3.447 1.00 0.00 H new ATOM 0 HE1 TRP A 77 68.367 30.416 2.966 1.00 0.00 H new ATOM 0 HE3 TRP A 77 70.122 25.356 2.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.339 28.598 2.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 67.847 24.612 1.891 1.00 0.00 H new ATOM 0 HH2 TRP A 77 65.981 26.214 1.787 1.00 0.00 H new ATOM 1267 N LYS A 78 71.116 25.413 5.077 1.00 0.00 N ATOM 1268 CA LYS A 78 70.055 24.612 5.673 1.00 0.00 C ATOM 1269 C LYS A 78 70.186 24.578 7.193 1.00 0.00 C ATOM 1270 O LYS A 78 69.203 24.742 7.916 1.00 0.00 O ATOM 1271 CB LYS A 78 70.089 23.187 5.116 1.00 0.00 C ATOM 1272 CG LYS A 78 69.065 22.261 5.749 1.00 0.00 C ATOM 1273 CD LYS A 78 68.612 21.183 4.778 1.00 0.00 C ATOM 1274 CE LYS A 78 69.734 20.203 4.471 1.00 0.00 C ATOM 1275 NZ LYS A 78 69.210 18.874 4.051 1.00 0.00 N ATOM 0 H LYS A 78 71.695 24.911 4.403 1.00 0.00 H new ATOM 0 HA LYS A 78 69.100 25.073 5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.918 23.222 4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.085 22.771 5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.494 21.796 6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 78 68.203 22.841 6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 78 67.763 20.645 5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 78 68.268 21.646 3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 78 70.366 20.610 3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 78 70.363 20.083 5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 70.005 18.235 3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 68.628 18.474 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 68.630 18.984 3.194 1.00 0.00 H new ATOM 1289 N THR A 79 71.408 24.365 7.672 1.00 0.00 N ATOM 1290 CA THR A 79 71.668 24.310 9.105 1.00 0.00 C ATOM 1291 C THR A 79 71.403 25.659 9.764 1.00 0.00 C ATOM 1292 O THR A 79 70.664 25.747 10.745 1.00 0.00 O ATOM 1293 CB THR A 79 73.120 23.886 9.396 1.00 0.00 C ATOM 1294 OG1 THR A 79 73.425 22.672 8.701 1.00 0.00 O ATOM 1295 CG2 THR A 79 73.338 23.690 10.889 1.00 0.00 C ATOM 0 H THR A 79 72.233 24.228 7.088 1.00 0.00 H new ATOM 0 HA THR A 79 70.989 23.566 9.521 1.00 0.00 H new ATOM 0 HB THR A 79 73.783 24.679 9.049 1.00 0.00 H new ATOM 0 HG1 THR A 79 73.315 22.810 7.737 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.370 23.391 11.070 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.134 24.624 11.412 1.00 0.00 H new ATOM 0 HG23 THR A 79 72.666 22.914 11.256 1.00 0.00 H new ATOM 1303 N LEU A 80 72.009 26.707 9.219 1.00 0.00 N ATOM 1304 CA LEU A 80 71.838 28.054 9.754 1.00 0.00 C ATOM 1305 C LEU A 80 70.369 28.463 9.736 1.00 0.00 C ATOM 1306 O LEU A 80 69.913 29.219 10.595 1.00 0.00 O ATOM 1307 CB LEU A 80 72.668 29.054 8.947 1.00 0.00 C ATOM 1308 CG LEU A 80 71.899 29.899 7.931 1.00 0.00 C ATOM 1309 CD1 LEU A 80 71.260 31.101 8.609 1.00 0.00 C ATOM 1310 CD2 LEU A 80 72.819 30.346 6.804 1.00 0.00 C ATOM 0 H LEU A 80 72.623 26.651 8.407 1.00 0.00 H new ATOM 0 HA LEU A 80 72.184 28.055 10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 80 73.169 29.726 9.644 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.447 28.505 8.418 1.00 0.00 H new ATOM 0 HG LEU A 80 71.106 29.286 7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.717 31.690 7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.569 30.759 9.379 1.00 0.00 H new ATOM 0 HD13 LEU A 80 72.036 31.716 9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 80 72.255 30.946 6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.634 30.942 7.215 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.228 29.471 6.299 1.00 0.00 H new ATOM 1322 N VAL A 81 69.631 27.959 8.752 1.00 0.00 N ATOM 1323 CA VAL A 81 68.212 28.269 8.624 1.00 0.00 C ATOM 1324 C VAL A 81 67.411 27.665 9.773 1.00 0.00 C ATOM 1325 O VAL A 81 66.584 28.338 10.388 1.00 0.00 O ATOM 1326 CB VAL A 81 67.643 27.754 7.289 1.00 0.00 C ATOM 1327 CG1 VAL A 81 66.128 27.641 7.363 1.00 0.00 C ATOM 1328 CG2 VAL A 81 68.063 28.664 6.145 1.00 0.00 C ATOM 0 H VAL A 81 69.993 27.334 8.032 1.00 0.00 H new ATOM 0 HA VAL A 81 68.122 29.355 8.654 1.00 0.00 H new ATOM 0 HB VAL A 81 68.049 26.760 7.100 1.00 0.00 H new ATOM 0 HG11 VAL A 81 65.743 27.276 6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 81 65.853 26.946 8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 81 65.700 28.621 7.575 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.652 28.285 5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.687 29.671 6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.151 28.689 6.080 1.00 0.00 H new ATOM 1338 N HIS A 82 67.663 26.391 10.056 1.00 0.00 N ATOM 1339 CA HIS A 82 66.966 25.695 11.132 1.00 0.00 C ATOM 1340 C HIS A 82 67.223 26.374 12.474 1.00 0.00 C ATOM 1341 O HIS A 82 66.302 26.577 13.267 1.00 0.00 O ATOM 1342 CB HIS A 82 67.410 24.233 11.194 1.00 0.00 C ATOM 1343 CG HIS A 82 66.381 23.320 11.786 1.00 0.00 C ATOM 1344 ND1 HIS A 82 66.703 22.226 12.562 1.00 0.00 N ATOM 1345 CD2 HIS A 82 65.030 23.343 11.715 1.00 0.00 C ATOM 1346 CE1 HIS A 82 65.594 21.615 12.940 1.00 0.00 C ATOM 1347 NE2 HIS A 82 64.565 22.274 12.439 1.00 0.00 N ATOM 0 H HIS A 82 68.344 25.820 9.556 1.00 0.00 H new ATOM 0 HA HIS A 82 65.897 25.734 10.924 1.00 0.00 H new ATOM 0 HB2 HIS A 82 67.651 23.892 10.187 1.00 0.00 H new ATOM 0 HB3 HIS A 82 68.326 24.164 11.781 1.00 0.00 H new ATOM 0 HD2 HIS A 82 64.429 24.068 11.187 1.00 0.00 H new ATOM 0 HE1 HIS A 82 65.539 20.728 13.554 1.00 0.00 H new ATOM 0 HE2 HIS A 82 63.584 22.028 12.569 1.00 0.00 H new ATOM 1355 N THR A 83 68.481 26.724 12.724 1.00 0.00 N ATOM 1356 CA THR A 83 68.859 27.379 13.970 1.00 0.00 C ATOM 1357 C THR A 83 68.285 28.789 14.047 1.00 0.00 C ATOM 1358 O THR A 83 67.995 29.293 15.131 1.00 0.00 O ATOM 1359 CB THR A 83 70.390 27.450 14.124 1.00 0.00 C ATOM 1360 OG1 THR A 83 70.957 26.141 14.003 1.00 0.00 O ATOM 1361 CG2 THR A 83 70.771 28.050 15.470 1.00 0.00 C ATOM 0 H THR A 83 69.255 26.565 12.080 1.00 0.00 H new ATOM 0 HA THR A 83 68.447 26.778 14.781 1.00 0.00 H new ATOM 0 HB THR A 83 70.783 28.090 13.334 1.00 0.00 H new ATOM 0 HG1 THR A 83 70.943 25.864 13.063 1.00 0.00 H new ATOM 0 HG21 THR A 83 71.857 28.090 15.556 1.00 0.00 H new ATOM 0 HG22 THR A 83 70.363 29.058 15.548 1.00 0.00 H new ATOM 0 HG23 THR A 83 70.366 27.432 16.271 1.00 0.00 H new ATOM 1369 N ALA A 84 68.123 29.421 12.889 1.00 0.00 N ATOM 1370 CA ALA A 84 67.581 30.772 12.826 1.00 0.00 C ATOM 1371 C ALA A 84 66.060 30.758 12.926 1.00 0.00 C ATOM 1372 O ALA A 84 65.429 31.803 13.089 1.00 0.00 O ATOM 1373 CB ALA A 84 68.021 31.457 11.540 1.00 0.00 C ATOM 0 H ALA A 84 68.360 29.019 11.982 1.00 0.00 H new ATOM 0 HA ALA A 84 67.970 31.333 13.676 1.00 0.00 H new ATOM 0 HB1 ALA A 84 67.609 32.466 11.506 1.00 0.00 H new ATOM 0 HB2 ALA A 84 69.109 31.508 11.509 1.00 0.00 H new ATOM 0 HB3 ALA A 84 67.660 30.888 10.683 1.00 0.00 H new ATOM 1379 N SER A 85 65.475 29.569 12.827 1.00 0.00 N ATOM 1380 CA SER A 85 64.027 29.420 12.902 1.00 0.00 C ATOM 1381 C SER A 85 63.603 28.920 14.280 1.00 0.00 C ATOM 1382 O SER A 85 62.441 29.048 14.668 1.00 0.00 O ATOM 1383 CB SER A 85 63.535 28.453 11.823 1.00 0.00 C ATOM 1384 OG SER A 85 62.159 28.651 11.549 1.00 0.00 O ATOM 0 H SER A 85 65.982 28.694 12.695 1.00 0.00 H new ATOM 0 HA SER A 85 63.577 30.399 12.735 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.115 28.596 10.911 1.00 0.00 H new ATOM 0 HB3 SER A 85 63.700 27.426 12.148 1.00 0.00 H new ATOM 0 HG SER A 85 61.870 28.022 10.855 1.00 0.00 H new ATOM 1390 N ILE A 86 64.553 28.352 15.015 1.00 0.00 N ATOM 1391 CA ILE A 86 64.279 27.834 16.349 1.00 0.00 C ATOM 1392 C ILE A 86 64.554 28.889 17.415 1.00 0.00 C ATOM 1393 O ILE A 86 64.814 30.050 17.101 1.00 0.00 O ATOM 1394 CB ILE A 86 65.123 26.582 16.652 1.00 0.00 C ATOM 1395 CG1 ILE A 86 66.601 26.957 16.785 1.00 0.00 C ATOM 1396 CG2 ILE A 86 64.932 25.538 15.562 1.00 0.00 C ATOM 1397 CD1 ILE A 86 67.498 25.777 17.086 1.00 0.00 C ATOM 0 H ILE A 86 65.519 28.239 14.709 1.00 0.00 H new ATOM 0 HA ILE A 86 63.223 27.564 16.372 1.00 0.00 H new ATOM 0 HB ILE A 86 64.789 26.156 17.598 1.00 0.00 H new ATOM 0 HG12 ILE A 86 66.933 27.429 15.860 1.00 0.00 H new ATOM 0 HG13 ILE A 86 66.710 27.698 17.577 1.00 0.00 H new ATOM 0 HG21 ILE A 86 65.535 24.659 15.790 1.00 0.00 H new ATOM 0 HG22 ILE A 86 63.881 25.254 15.511 1.00 0.00 H new ATOM 0 HG23 ILE A 86 65.243 25.952 14.603 1.00 0.00 H new ATOM 0 HD11 ILE A 86 68.531 26.116 17.167 1.00 0.00 H new ATOM 0 HD12 ILE A 86 67.192 25.318 18.026 1.00 0.00 H new ATOM 0 HD13 ILE A 86 67.418 25.045 16.282 1.00 0.00 H new ATOM 1409 N ALA A 87 64.498 28.476 18.677 1.00 0.00 N ATOM 1410 CA ALA A 87 64.745 29.384 19.790 1.00 0.00 C ATOM 1411 C ALA A 87 66.143 29.181 20.365 1.00 0.00 C ATOM 1412 O ALA A 87 66.777 28.144 20.167 1.00 0.00 O ATOM 1413 CB ALA A 87 63.694 29.190 20.873 1.00 0.00 C ATOM 0 H ALA A 87 64.284 27.518 18.954 1.00 0.00 H new ATOM 0 HA ALA A 87 64.680 30.405 19.414 1.00 0.00 H new ATOM 0 HB1 ALA A 87 63.891 29.875 21.698 1.00 0.00 H new ATOM 0 HB2 ALA A 87 62.705 29.393 20.461 1.00 0.00 H new ATOM 0 HB3 ALA A 87 63.732 28.163 21.237 1.00 0.00 H new ATOM 1419 N PRO A 88 66.637 30.194 21.093 1.00 0.00 N ATOM 1420 CA PRO A 88 67.966 30.149 21.710 1.00 0.00 C ATOM 1421 C PRO A 88 68.035 29.156 22.865 1.00 0.00 C ATOM 1422 O PRO A 88 69.082 28.560 23.120 1.00 0.00 O ATOM 1423 CB PRO A 88 68.167 31.578 22.221 1.00 0.00 C ATOM 1424 CG PRO A 88 66.788 32.105 22.427 1.00 0.00 C ATOM 1425 CD PRO A 88 65.937 31.459 21.369 1.00 0.00 C ATOM 0 HA PRO A 88 68.732 29.821 21.007 1.00 0.00 H new ATOM 0 HB2 PRO A 88 68.738 31.590 23.149 1.00 0.00 H new ATOM 0 HB3 PRO A 88 68.718 32.182 21.500 1.00 0.00 H new ATOM 0 HG2 PRO A 88 66.422 31.862 23.425 1.00 0.00 H new ATOM 0 HG3 PRO A 88 66.767 33.191 22.336 1.00 0.00 H new ATOM 0 HD2 PRO A 88 64.920 31.287 21.721 1.00 0.00 H new ATOM 0 HD3 PRO A 88 65.864 32.081 20.477 1.00 0.00 H new ATOM 1433 N GLN A 89 66.915 28.982 23.559 1.00 0.00 N ATOM 1434 CA GLN A 89 66.851 28.060 24.686 1.00 0.00 C ATOM 1435 C GLN A 89 66.988 26.615 24.217 1.00 0.00 C ATOM 1436 O GLN A 89 67.195 25.709 25.023 1.00 0.00 O ATOM 1437 CB GLN A 89 65.534 28.239 25.444 1.00 0.00 C ATOM 1438 CG GLN A 89 64.305 28.171 24.552 1.00 0.00 C ATOM 1439 CD GLN A 89 63.071 27.694 25.294 1.00 0.00 C ATOM 1440 OE1 GLN A 89 63.136 27.355 26.476 1.00 0.00 O ATOM 1441 NE2 GLN A 89 61.938 27.667 24.603 1.00 0.00 N ATOM 0 H GLN A 89 66.040 29.467 23.361 1.00 0.00 H new ATOM 0 HA GLN A 89 67.682 28.286 25.355 1.00 0.00 H new ATOM 0 HB2 GLN A 89 65.459 27.469 26.212 1.00 0.00 H new ATOM 0 HB3 GLN A 89 65.548 29.200 25.957 1.00 0.00 H new ATOM 0 HG2 GLN A 89 64.112 29.157 24.130 1.00 0.00 H new ATOM 0 HG3 GLN A 89 64.504 27.500 23.716 1.00 0.00 H new ATOM 0 HE21 GLN A 89 61.930 27.957 23.625 1.00 0.00 H new ATOM 0 HE22 GLN A 89 61.075 27.356 25.050 1.00 0.00 H new ATOM 1450 N GLN A 90 66.872 26.410 22.909 1.00 0.00 N ATOM 1451 CA GLN A 90 66.983 25.075 22.334 1.00 0.00 C ATOM 1452 C GLN A 90 68.318 24.899 21.618 1.00 0.00 C ATOM 1453 O GLN A 90 68.892 23.810 21.612 1.00 0.00 O ATOM 1454 CB GLN A 90 65.832 24.819 21.359 1.00 0.00 C ATOM 1455 CG GLN A 90 64.459 24.883 22.010 1.00 0.00 C ATOM 1456 CD GLN A 90 64.129 23.632 22.801 1.00 0.00 C ATOM 1457 OE1 GLN A 90 64.893 22.667 22.805 1.00 0.00 O ATOM 1458 NE2 GLN A 90 62.986 23.643 23.477 1.00 0.00 N ATOM 0 H GLN A 90 66.701 27.150 22.228 1.00 0.00 H new ATOM 0 HA GLN A 90 66.929 24.352 23.148 1.00 0.00 H new ATOM 0 HB2 GLN A 90 65.878 25.553 20.554 1.00 0.00 H new ATOM 0 HB3 GLN A 90 65.964 23.838 20.903 1.00 0.00 H new ATOM 0 HG2 GLN A 90 64.415 25.748 22.671 1.00 0.00 H new ATOM 0 HG3 GLN A 90 63.702 25.031 21.240 1.00 0.00 H new ATOM 0 HE21 GLN A 90 62.383 24.465 23.445 1.00 0.00 H new ATOM 0 HE22 GLN A 90 62.711 22.830 24.028 1.00 0.00 H new ATOM 1467 N ARG A 91 68.808 25.978 21.016 1.00 0.00 N ATOM 1468 CA ARG A 91 70.075 25.943 20.297 1.00 0.00 C ATOM 1469 C ARG A 91 70.442 27.328 19.773 1.00 0.00 C ATOM 1470 O ARG A 91 69.749 27.884 18.921 1.00 0.00 O ATOM 1471 CB ARG A 91 69.998 24.951 19.135 1.00 0.00 C ATOM 1472 CG ARG A 91 70.751 23.655 19.389 1.00 0.00 C ATOM 1473 CD ARG A 91 71.302 23.068 18.099 1.00 0.00 C ATOM 1474 NE ARG A 91 72.496 23.775 17.643 1.00 0.00 N ATOM 1475 CZ ARG A 91 73.672 23.704 18.257 1.00 0.00 C ATOM 1476 NH1 ARG A 91 73.810 22.962 19.347 1.00 0.00 N ATOM 1477 NH2 ARG A 91 74.713 24.375 17.781 1.00 0.00 N ATOM 0 H ARG A 91 68.346 26.887 21.012 1.00 0.00 H new ATOM 0 HA ARG A 91 70.850 25.620 20.992 1.00 0.00 H new ATOM 0 HB2 ARG A 91 68.952 24.720 18.934 1.00 0.00 H new ATOM 0 HB3 ARG A 91 70.398 25.424 18.238 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.570 23.839 20.085 1.00 0.00 H new ATOM 0 HG3 ARG A 91 70.086 22.933 19.863 1.00 0.00 H new ATOM 0 HD2 ARG A 91 71.540 22.015 18.252 1.00 0.00 H new ATOM 0 HD3 ARG A 91 70.536 23.112 17.324 1.00 0.00 H new ATOM 0 HE ARG A 91 72.423 24.355 16.807 1.00 0.00 H new ATOM 0 HH11 ARG A 91 73.012 22.444 19.716 1.00 0.00 H new ATOM 0 HH12 ARG A 91 74.714 22.909 19.817 1.00 0.00 H new ATOM 0 HH21 ARG A 91 74.611 24.947 16.942 1.00 0.00 H new ATOM 0 HH22 ARG A 91 75.615 24.319 18.254 1.00 0.00 H new ATOM 1491 N ARG A 92 71.535 27.880 20.290 1.00 0.00 N ATOM 1492 CA ARG A 92 71.993 29.201 19.876 1.00 0.00 C ATOM 1493 C ARG A 92 72.728 29.128 18.541 1.00 0.00 C ATOM 1494 O ARG A 92 73.114 28.050 18.091 1.00 0.00 O ATOM 1495 CB ARG A 92 72.909 29.804 20.942 1.00 0.00 C ATOM 1496 CG ARG A 92 73.084 31.308 20.815 1.00 0.00 C ATOM 1497 CD ARG A 92 73.743 31.899 22.051 1.00 0.00 C ATOM 1498 NE ARG A 92 75.037 31.283 22.329 1.00 0.00 N ATOM 1499 CZ ARG A 92 76.149 31.576 21.663 1.00 0.00 C ATOM 1500 NH1 ARG A 92 76.123 32.472 20.685 1.00 0.00 N ATOM 1501 NH2 ARG A 92 77.289 30.973 21.974 1.00 0.00 N ATOM 0 H ARG A 92 72.120 27.433 20.996 1.00 0.00 H new ATOM 0 HA ARG A 92 71.118 29.840 19.755 1.00 0.00 H new ATOM 0 HB2 ARG A 92 72.504 29.576 21.928 1.00 0.00 H new ATOM 0 HB3 ARG A 92 73.887 29.327 20.881 1.00 0.00 H new ATOM 0 HG2 ARG A 92 73.689 31.532 19.937 1.00 0.00 H new ATOM 0 HG3 ARG A 92 72.112 31.777 20.660 1.00 0.00 H new ATOM 0 HD2 ARG A 92 73.875 32.972 21.913 1.00 0.00 H new ATOM 0 HD3 ARG A 92 73.086 31.766 22.911 1.00 0.00 H new ATOM 0 HE ARG A 92 75.091 30.590 23.075 1.00 0.00 H new ATOM 0 HH11 ARG A 92 75.248 32.938 20.443 1.00 0.00 H new ATOM 0 HH12 ARG A 92 76.978 32.695 20.175 1.00 0.00 H new ATOM 0 HH21 ARG A 92 77.313 30.283 22.725 1.00 0.00 H new ATOM 0 HH22 ARG A 92 78.142 31.199 21.462 1.00 0.00 H new ATOM 1515 N GLY A 93 72.919 30.284 17.912 1.00 0.00 N ATOM 1516 CA GLY A 93 73.607 30.328 16.635 1.00 0.00 C ATOM 1517 C GLY A 93 74.820 31.237 16.661 1.00 0.00 C ATOM 1518 O GLY A 93 75.007 32.006 17.603 1.00 0.00 O ATOM 0 H GLY A 93 72.610 31.190 18.264 1.00 0.00 H new ATOM 0 HA2 GLY A 93 73.918 29.321 16.358 1.00 0.00 H new ATOM 0 HA3 GLY A 93 72.916 30.671 15.865 1.00 0.00 H new ATOM 1522 N ALA A 94 75.646 31.148 15.624 1.00 0.00 N ATOM 1523 CA ALA A 94 76.847 31.969 15.532 1.00 0.00 C ATOM 1524 C ALA A 94 76.519 33.446 15.726 1.00 0.00 C ATOM 1525 O ALA A 94 75.376 33.877 15.575 1.00 0.00 O ATOM 1526 CB ALA A 94 77.535 31.751 14.192 1.00 0.00 C ATOM 0 H ALA A 94 75.506 30.516 14.836 1.00 0.00 H new ATOM 0 HA ALA A 94 77.525 31.666 16.330 1.00 0.00 H new ATOM 0 HB1 ALA A 94 78.430 32.371 14.138 1.00 0.00 H new ATOM 0 HB2 ALA A 94 77.813 30.702 14.092 1.00 0.00 H new ATOM 0 HB3 ALA A 94 76.855 32.024 13.385 1.00 0.00 H new ATOM 1532 N PRO A 95 77.544 34.240 16.069 1.00 0.00 N ATOM 1533 CA PRO A 95 77.388 35.681 16.291 1.00 0.00 C ATOM 1534 C PRO A 95 77.105 36.439 14.999 1.00 0.00 C ATOM 1535 O PRO A 95 77.978 37.124 14.465 1.00 0.00 O ATOM 1536 CB PRO A 95 78.742 36.099 16.871 1.00 0.00 C ATOM 1537 CG PRO A 95 79.703 35.082 16.359 1.00 0.00 C ATOM 1538 CD PRO A 95 78.933 33.794 16.266 1.00 0.00 C ATOM 0 HA PRO A 95 76.543 35.904 16.942 1.00 0.00 H new ATOM 0 HB2 PRO A 95 79.018 37.103 16.548 1.00 0.00 H new ATOM 0 HB3 PRO A 95 78.720 36.110 17.961 1.00 0.00 H new ATOM 0 HG2 PRO A 95 80.096 35.373 15.385 1.00 0.00 H new ATOM 0 HG3 PRO A 95 80.556 34.979 17.030 1.00 0.00 H new ATOM 0 HD2 PRO A 95 79.279 33.178 15.436 1.00 0.00 H new ATOM 0 HD3 PRO A 95 79.039 33.197 17.172 1.00 0.00 H new ATOM 1546 N VAL A 96 75.880 36.313 14.500 1.00 0.00 N ATOM 1547 CA VAL A 96 75.481 36.988 13.271 1.00 0.00 C ATOM 1548 C VAL A 96 74.277 37.893 13.506 1.00 0.00 C ATOM 1549 O VAL A 96 73.491 37.693 14.432 1.00 0.00 O ATOM 1550 CB VAL A 96 75.140 35.977 12.160 1.00 0.00 C ATOM 1551 CG1 VAL A 96 76.410 35.385 11.568 1.00 0.00 C ATOM 1552 CG2 VAL A 96 74.233 34.881 12.699 1.00 0.00 C ATOM 0 H VAL A 96 75.146 35.749 14.928 1.00 0.00 H new ATOM 0 HA VAL A 96 76.330 37.593 12.953 1.00 0.00 H new ATOM 0 HB VAL A 96 74.608 36.501 11.366 1.00 0.00 H new ATOM 0 HG11 VAL A 96 76.149 34.673 10.785 1.00 0.00 H new ATOM 0 HG12 VAL A 96 77.020 36.183 11.144 1.00 0.00 H new ATOM 0 HG13 VAL A 96 76.972 34.874 12.350 1.00 0.00 H new ATOM 0 HG21 VAL A 96 74.002 34.175 11.901 1.00 0.00 H new ATOM 0 HG22 VAL A 96 74.738 34.358 13.511 1.00 0.00 H new ATOM 0 HG23 VAL A 96 73.309 35.324 13.071 1.00 0.00 H new ATOM 1562 N PRO A 97 74.127 38.913 12.648 1.00 0.00 N ATOM 1563 CA PRO A 97 73.020 39.870 12.741 1.00 0.00 C ATOM 1564 C PRO A 97 71.679 39.241 12.380 1.00 0.00 C ATOM 1565 O PRO A 97 71.629 38.190 11.742 1.00 0.00 O ATOM 1566 CB PRO A 97 73.397 40.949 11.723 1.00 0.00 C ATOM 1567 CG PRO A 97 74.273 40.252 10.740 1.00 0.00 C ATOM 1568 CD PRO A 97 75.027 39.212 11.521 1.00 0.00 C ATOM 0 HA PRO A 97 72.892 40.249 13.755 1.00 0.00 H new ATOM 0 HB2 PRO A 97 72.512 41.364 11.240 1.00 0.00 H new ATOM 0 HB3 PRO A 97 73.919 41.779 12.200 1.00 0.00 H new ATOM 0 HG2 PRO A 97 73.682 39.792 9.948 1.00 0.00 H new ATOM 0 HG3 PRO A 97 74.957 40.953 10.262 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.227 38.325 10.920 1.00 0.00 H new ATOM 0 HD3 PRO A 97 75.991 39.588 11.865 1.00 0.00 H new ATOM 1576 N GLN A 98 70.596 39.891 12.792 1.00 0.00 N ATOM 1577 CA GLN A 98 69.254 39.394 12.511 1.00 0.00 C ATOM 1578 C GLN A 98 68.990 39.359 11.009 1.00 0.00 C ATOM 1579 O GLN A 98 68.239 38.515 10.521 1.00 0.00 O ATOM 1580 CB GLN A 98 68.208 40.269 13.204 1.00 0.00 C ATOM 1581 CG GLN A 98 68.075 41.656 12.596 1.00 0.00 C ATOM 1582 CD GLN A 98 67.059 42.516 13.321 1.00 0.00 C ATOM 1583 OE1 GLN A 98 67.277 42.929 14.461 1.00 0.00 O ATOM 1584 NE2 GLN A 98 65.939 42.791 12.662 1.00 0.00 N ATOM 0 H GLN A 98 70.621 40.763 13.321 1.00 0.00 H new ATOM 0 HA GLN A 98 69.182 38.378 12.898 1.00 0.00 H new ATOM 0 HB2 GLN A 98 67.241 39.768 13.160 1.00 0.00 H new ATOM 0 HB3 GLN A 98 68.469 40.367 14.258 1.00 0.00 H new ATOM 0 HG2 GLN A 98 69.045 42.152 12.616 1.00 0.00 H new ATOM 0 HG3 GLN A 98 67.786 41.563 11.549 1.00 0.00 H new ATOM 0 HE21 GLN A 98 65.800 42.428 11.719 1.00 0.00 H new ATOM 0 HE22 GLN A 98 65.218 43.365 13.099 1.00 0.00 H new ATOM 1593 N GLU A 99 69.613 40.281 10.282 1.00 0.00 N ATOM 1594 CA GLU A 99 69.444 40.355 8.835 1.00 0.00 C ATOM 1595 C GLU A 99 69.754 39.012 8.182 1.00 0.00 C ATOM 1596 O GLU A 99 69.024 38.552 7.302 1.00 0.00 O ATOM 1597 CB GLU A 99 70.348 41.441 8.248 1.00 0.00 C ATOM 1598 CG GLU A 99 71.817 41.261 8.591 1.00 0.00 C ATOM 1599 CD GLU A 99 72.527 42.580 8.828 1.00 0.00 C ATOM 1600 OE1 GLU A 99 71.940 43.458 9.494 1.00 0.00 O ATOM 1601 OE2 GLU A 99 73.669 42.732 8.348 1.00 0.00 O ATOM 0 H GLU A 99 70.239 40.987 10.671 1.00 0.00 H new ATOM 0 HA GLU A 99 68.404 40.608 8.629 1.00 0.00 H new ATOM 0 HB2 GLU A 99 70.235 41.449 7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 99 70.016 42.414 8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 99 71.905 40.640 9.483 1.00 0.00 H new ATOM 0 HG3 GLU A 99 72.313 40.726 7.781 1.00 0.00 H new ATOM 1608 N LEU A 100 70.842 38.386 8.617 1.00 0.00 N ATOM 1609 CA LEU A 100 71.252 37.095 8.075 1.00 0.00 C ATOM 1610 C LEU A 100 70.145 36.059 8.242 1.00 0.00 C ATOM 1611 O LEU A 100 69.888 35.258 7.342 1.00 0.00 O ATOM 1612 CB LEU A 100 72.528 36.611 8.765 1.00 0.00 C ATOM 1613 CG LEU A 100 73.835 36.864 8.012 1.00 0.00 C ATOM 1614 CD1 LEU A 100 73.806 36.188 6.650 1.00 0.00 C ATOM 1615 CD2 LEU A 100 74.085 38.358 7.864 1.00 0.00 C ATOM 0 H LEU A 100 71.457 38.752 9.344 1.00 0.00 H new ATOM 0 HA LEU A 100 71.449 37.222 7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.595 37.093 9.741 1.00 0.00 H new ATOM 0 HB3 LEU A 100 72.437 35.540 8.944 1.00 0.00 H new ATOM 0 HG LEU A 100 74.654 36.435 8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 100 74.744 36.379 6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 100 73.675 35.114 6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 100 72.978 36.586 6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 100 75.019 38.519 7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 100 73.264 38.811 7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 100 74.151 38.815 8.851 1.00 0.00 H new ATOM 1627 N LEU A 101 69.491 36.081 9.399 1.00 0.00 N ATOM 1628 CA LEU A 101 68.410 35.145 9.684 1.00 0.00 C ATOM 1629 C LEU A 101 67.141 35.533 8.933 1.00 0.00 C ATOM 1630 O LEU A 101 66.308 34.682 8.619 1.00 0.00 O ATOM 1631 CB LEU A 101 68.132 35.099 11.188 1.00 0.00 C ATOM 1632 CG LEU A 101 69.308 34.691 12.076 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.306 33.855 11.289 1.00 0.00 C ATOM 1634 CD2 LEU A 101 69.985 35.921 12.662 1.00 0.00 C ATOM 0 H LEU A 101 69.691 36.737 10.154 1.00 0.00 H new ATOM 0 HA LEU A 101 68.721 34.156 9.347 1.00 0.00 H new ATOM 0 HB2 LEU A 101 67.789 36.084 11.504 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.311 34.404 11.364 1.00 0.00 H new ATOM 0 HG LEU A 101 68.926 34.085 12.897 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.136 33.574 11.937 1.00 0.00 H new ATOM 0 HD12 LEU A 101 69.815 32.956 10.918 1.00 0.00 H new ATOM 0 HD13 LEU A 101 70.683 34.436 10.447 1.00 0.00 H new ATOM 0 HD21 LEU A 101 70.820 35.612 13.291 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.354 36.553 11.854 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.267 36.481 13.261 1.00 0.00 H new ATOM 1646 N ASP A 102 67.001 36.822 8.645 1.00 0.00 N ATOM 1647 CA ASP A 102 65.835 37.323 7.926 1.00 0.00 C ATOM 1648 C ASP A 102 65.920 36.976 6.443 1.00 0.00 C ATOM 1649 O ASP A 102 64.922 36.603 5.825 1.00 0.00 O ATOM 1650 CB ASP A 102 65.713 38.838 8.102 1.00 0.00 C ATOM 1651 CG ASP A 102 64.327 39.350 7.764 1.00 0.00 C ATOM 1652 OD1 ASP A 102 64.081 39.656 6.579 1.00 0.00 O ATOM 1653 OD2 ASP A 102 63.489 39.447 8.685 1.00 0.00 O ATOM 0 H ASP A 102 67.680 37.539 8.898 1.00 0.00 H new ATOM 0 HA ASP A 102 64.949 36.844 8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 102 65.953 39.102 9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 102 66.446 39.335 7.466 1.00 0.00 H new ATOM 1658 N ARG A 103 67.116 37.102 5.879 1.00 0.00 N ATOM 1659 CA ARG A 103 67.330 36.804 4.468 1.00 0.00 C ATOM 1660 C ARG A 103 67.229 35.304 4.208 1.00 0.00 C ATOM 1661 O ARG A 103 66.596 34.871 3.245 1.00 0.00 O ATOM 1662 CB ARG A 103 68.698 37.319 4.017 1.00 0.00 C ATOM 1663 CG ARG A 103 69.857 36.756 4.824 1.00 0.00 C ATOM 1664 CD ARG A 103 71.172 37.421 4.448 1.00 0.00 C ATOM 1665 NE ARG A 103 71.419 37.371 3.009 1.00 0.00 N ATOM 1666 CZ ARG A 103 71.057 38.333 2.168 1.00 0.00 C ATOM 1667 NH1 ARG A 103 70.435 39.413 2.618 1.00 0.00 N ATOM 1668 NH2 ARG A 103 71.317 38.214 0.872 1.00 0.00 N ATOM 0 H ARG A 103 67.952 37.408 6.377 1.00 0.00 H new ATOM 0 HA ARG A 103 66.552 37.309 3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 103 68.843 37.069 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 103 68.710 38.406 4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 103 69.666 36.901 5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 103 69.930 35.681 4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 103 71.160 38.460 4.778 1.00 0.00 H new ATOM 0 HD3 ARG A 103 71.990 36.929 4.974 1.00 0.00 H new ATOM 0 HE ARG A 103 71.895 36.553 2.630 1.00 0.00 H new ATOM 0 HH11 ARG A 103 70.233 39.508 3.613 1.00 0.00 H new ATOM 0 HH12 ARG A 103 70.158 40.150 1.969 1.00 0.00 H new ATOM 0 HH21 ARG A 103 71.795 37.384 0.522 1.00 0.00 H new ATOM 0 HH22 ARG A 103 71.039 38.953 0.226 1.00 0.00 H new ATOM 1682 N VAL A 104 67.859 34.515 5.073 1.00 0.00 N ATOM 1683 CA VAL A 104 67.840 33.063 4.937 1.00 0.00 C ATOM 1684 C VAL A 104 66.435 32.510 5.145 1.00 0.00 C ATOM 1685 O VAL A 104 66.003 31.600 4.436 1.00 0.00 O ATOM 1686 CB VAL A 104 68.797 32.393 5.941 1.00 0.00 C ATOM 1687 CG1 VAL A 104 70.225 32.869 5.718 1.00 0.00 C ATOM 1688 CG2 VAL A 104 68.351 32.672 7.369 1.00 0.00 C ATOM 0 H VAL A 104 68.389 34.857 5.875 1.00 0.00 H new ATOM 0 HA VAL A 104 68.171 32.836 3.924 1.00 0.00 H new ATOM 0 HB VAL A 104 68.769 31.315 5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 104 70.886 32.385 6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 104 70.540 32.614 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 104 70.273 33.950 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 104 69.038 32.191 8.065 1.00 0.00 H new ATOM 0 HG22 VAL A 104 68.349 33.748 7.546 1.00 0.00 H new ATOM 0 HG23 VAL A 104 67.346 32.277 7.520 1.00 0.00 H new ATOM 1698 N LEU A 105 65.725 33.066 6.120 1.00 0.00 N ATOM 1699 CA LEU A 105 64.366 32.629 6.421 1.00 0.00 C ATOM 1700 C LEU A 105 63.414 32.989 5.286 1.00 0.00 C ATOM 1701 O LEU A 105 62.681 32.137 4.783 1.00 0.00 O ATOM 1702 CB LEU A 105 63.883 33.263 7.727 1.00 0.00 C ATOM 1703 CG LEU A 105 64.350 32.585 9.016 1.00 0.00 C ATOM 1704 CD1 LEU A 105 63.923 33.394 10.230 1.00 0.00 C ATOM 1705 CD2 LEU A 105 63.806 31.166 9.099 1.00 0.00 C ATOM 0 H LEU A 105 66.067 33.820 6.716 1.00 0.00 H new ATOM 0 HA LEU A 105 64.376 31.545 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 105 64.213 34.302 7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 105 62.793 33.274 7.721 1.00 0.00 H new ATOM 0 HG LEU A 105 65.439 32.535 9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 105 64.264 32.896 11.138 1.00 0.00 H new ATOM 0 HD12 LEU A 105 64.362 34.390 10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 105 62.836 33.477 10.248 1.00 0.00 H new ATOM 0 HD21 LEU A 105 64.148 30.699 10.022 1.00 0.00 H new ATOM 0 HD22 LEU A 105 62.716 31.193 9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 105 64.163 30.589 8.246 1.00 0.00 H new ATOM 1717 N ALA A 106 63.431 34.256 4.885 1.00 0.00 N ATOM 1718 CA ALA A 106 62.573 34.727 3.805 1.00 0.00 C ATOM 1719 C ALA A 106 62.755 33.881 2.550 1.00 0.00 C ATOM 1720 O ALA A 106 61.781 33.421 1.954 1.00 0.00 O ATOM 1721 CB ALA A 106 62.860 36.191 3.504 1.00 0.00 C ATOM 0 H ALA A 106 64.030 34.975 5.292 1.00 0.00 H new ATOM 0 HA ALA A 106 61.537 34.630 4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 106 62.212 36.530 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 106 62.671 36.789 4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 106 63.902 36.304 3.205 1.00 0.00 H new ATOM 1727 N ALA A 107 64.007 33.681 2.153 1.00 0.00 N ATOM 1728 CA ALA A 107 64.316 32.889 0.969 1.00 0.00 C ATOM 1729 C ALA A 107 63.777 31.468 1.103 1.00 0.00 C ATOM 1730 O ALA A 107 63.187 30.928 0.167 1.00 0.00 O ATOM 1731 CB ALA A 107 65.818 32.865 0.726 1.00 0.00 C ATOM 0 H ALA A 107 64.824 34.057 2.634 1.00 0.00 H new ATOM 0 HA ALA A 107 63.828 33.356 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 107 66.034 32.270 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 107 66.179 33.883 0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 107 66.319 32.425 1.588 1.00 0.00 H new ATOM 1737 N GLN A 108 63.985 30.869 2.271 1.00 0.00 N ATOM 1738 CA GLN A 108 63.521 29.511 2.525 1.00 0.00 C ATOM 1739 C GLN A 108 62.030 29.381 2.232 1.00 0.00 C ATOM 1740 O GLN A 108 61.602 28.461 1.535 1.00 0.00 O ATOM 1741 CB GLN A 108 63.803 29.116 3.976 1.00 0.00 C ATOM 1742 CG GLN A 108 63.805 27.613 4.208 1.00 0.00 C ATOM 1743 CD GLN A 108 62.445 26.986 3.975 1.00 0.00 C ATOM 1744 OE1 GLN A 108 61.413 27.567 4.576 1.00 0.00 O flip ATOM 1745 NE2 GLN A 108 62.322 25.989 3.263 1.00 0.00 N flip ATOM 0 H GLN A 108 64.471 31.303 3.056 1.00 0.00 H new ATOM 0 HA GLN A 108 64.064 28.839 1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 108 64.770 29.522 4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 108 63.053 29.574 4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 108 64.534 27.148 3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 108 64.126 27.407 5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 108 63.142 25.574 2.820 1.00 0.00 H new ATOM 0 HE22 GLN A 108 61.400 25.578 3.116 1.00 0.00 H new ATOM 1754 N ALA A 109 61.243 30.308 2.768 1.00 0.00 N ATOM 1755 CA ALA A 109 59.800 30.298 2.562 1.00 0.00 C ATOM 1756 C ALA A 109 59.450 30.612 1.111 1.00 0.00 C ATOM 1757 O ALA A 109 58.563 29.989 0.528 1.00 0.00 O ATOM 1758 CB ALA A 109 59.127 31.292 3.496 1.00 0.00 C ATOM 0 H ALA A 109 61.581 31.076 3.348 1.00 0.00 H new ATOM 0 HA ALA A 109 59.433 29.297 2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 109 58.050 31.274 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.341 31.022 4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.508 32.294 3.297 1.00 0.00 H new ATOM 1764 N TYR A 110 60.152 31.581 0.535 1.00 0.00 N ATOM 1765 CA TYR A 110 59.913 31.980 -0.847 1.00 0.00 C ATOM 1766 C TYR A 110 59.933 30.769 -1.775 1.00 0.00 C ATOM 1767 O TYR A 110 59.092 30.639 -2.663 1.00 0.00 O ATOM 1768 CB TYR A 110 60.964 32.997 -1.296 1.00 0.00 C ATOM 1769 CG TYR A 110 60.620 34.424 -0.930 1.00 0.00 C ATOM 1770 CD1 TYR A 110 59.370 34.955 -1.223 1.00 0.00 C ATOM 1771 CD2 TYR A 110 61.545 35.240 -0.292 1.00 0.00 C ATOM 1772 CE1 TYR A 110 59.052 36.257 -0.892 1.00 0.00 C ATOM 1773 CE2 TYR A 110 61.235 36.544 0.045 1.00 0.00 C ATOM 1774 CZ TYR A 110 59.987 37.048 -0.258 1.00 0.00 C ATOM 1775 OH TYR A 110 59.674 38.346 0.075 1.00 0.00 O ATOM 0 H TYR A 110 60.891 32.105 1.003 1.00 0.00 H new ATOM 0 HA TYR A 110 58.926 32.440 -0.900 1.00 0.00 H new ATOM 0 HB2 TYR A 110 61.923 32.737 -0.849 1.00 0.00 H new ATOM 0 HB3 TYR A 110 61.087 32.927 -2.377 1.00 0.00 H new ATOM 0 HD1 TYR A 110 58.634 34.339 -1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 110 62.523 34.849 -0.055 1.00 0.00 H new ATOM 0 HE1 TYR A 110 58.076 36.654 -1.128 1.00 0.00 H new ATOM 0 HE2 TYR A 110 61.965 37.165 0.543 1.00 0.00 H new ATOM 0 HH TYR A 110 60.442 38.765 0.517 1.00 0.00 H new ATOM 1785 N TRP A 111 60.901 29.884 -1.560 1.00 0.00 N ATOM 1786 CA TRP A 111 61.032 28.682 -2.376 1.00 0.00 C ATOM 1787 C TRP A 111 60.241 27.526 -1.773 1.00 0.00 C ATOM 1788 O TRP A 111 59.893 26.572 -2.467 1.00 0.00 O ATOM 1789 CB TRP A 111 62.504 28.292 -2.514 1.00 0.00 C ATOM 1790 CG TRP A 111 63.416 29.469 -2.691 1.00 0.00 C ATOM 1791 CD1 TRP A 111 64.617 29.675 -2.075 1.00 0.00 C ATOM 1792 CD2 TRP A 111 63.199 30.601 -3.540 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.159 30.867 -2.489 1.00 0.00 N ATOM 1794 CE2 TRP A 111 64.309 31.454 -3.389 1.00 0.00 C ATOM 1795 CE3 TRP A 111 62.175 30.976 -4.415 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 64.422 32.658 -4.079 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 62.289 32.171 -5.099 1.00 0.00 C ATOM 1798 CH2 TRP A 111 63.406 33.000 -4.929 1.00 0.00 C ATOM 0 H TRP A 111 61.606 29.976 -0.828 1.00 0.00 H new ATOM 0 HA TRP A 111 60.627 28.898 -3.365 1.00 0.00 H new ATOM 0 HB2 TRP A 111 62.809 27.735 -1.628 1.00 0.00 H new ATOM 0 HB3 TRP A 111 62.617 27.622 -3.367 1.00 0.00 H new ATOM 0 HD1 TRP A 111 65.074 29.000 -1.366 1.00 0.00 H new ATOM 0 HE1 TRP A 111 66.050 31.253 -2.177 1.00 0.00 H new ATOM 0 HE3 TRP A 111 61.311 30.343 -4.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 65.281 33.299 -3.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 61.504 32.471 -5.777 1.00 0.00 H new ATOM 0 HH2 TRP A 111 63.466 33.927 -5.480 1.00 0.00 H new ATOM 1809 N SER A 112 59.962 27.619 -0.476 1.00 0.00 N ATOM 1810 CA SER A 112 59.215 26.578 0.221 1.00 0.00 C ATOM 1811 C SER A 112 59.797 25.200 -0.077 1.00 0.00 C ATOM 1812 O SER A 112 59.062 24.228 -0.255 1.00 0.00 O ATOM 1813 CB SER A 112 57.740 26.620 -0.185 1.00 0.00 C ATOM 1814 OG SER A 112 57.002 25.605 0.473 1.00 0.00 O ATOM 0 H SER A 112 60.242 28.404 0.113 1.00 0.00 H new ATOM 0 HA SER A 112 59.295 26.763 1.292 1.00 0.00 H new ATOM 0 HB2 SER A 112 57.320 27.596 0.059 1.00 0.00 H new ATOM 0 HB3 SER A 112 57.653 26.496 -1.264 1.00 0.00 H new ATOM 0 HG SER A 112 57.424 24.736 0.309 1.00 0.00 H new