USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=11 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 119:sc= 0.304 USER MOD Single : A 48 HIS : no HD1:sc= -0.0889 K(o=-0.089,f=-0.71) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -169:sc= 0 (180deg=-0.14) USER MOD Single : A 76 LYS NZ :NH3+ -156:sc= -0.0983 (180deg=-0.654) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 91:sc= 1.21 USER MOD Single : A 82 HIS : no HD1:sc= -0.0652 X(o=-0.065,f=0) USER MOD Single : A 83 THR OG1 : rot 75:sc= 0.0838 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0249 X(o=-0.025,f=-0.45) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= -3.16! C(o=-3.2!,f=-7.8!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 526 N PHE A 34 81.981 31.970 11.448 1.00 0.00 N ATOM 527 CA PHE A 34 81.992 32.561 10.115 1.00 0.00 C ATOM 528 C PHE A 34 81.793 34.072 10.188 1.00 0.00 C ATOM 529 O PHE A 34 81.356 34.604 11.209 1.00 0.00 O ATOM 530 CB PHE A 34 80.900 31.933 9.246 1.00 0.00 C ATOM 531 CG PHE A 34 79.653 31.587 10.009 1.00 0.00 C ATOM 532 CD1 PHE A 34 78.990 32.550 10.752 1.00 0.00 C ATOM 533 CD2 PHE A 34 79.144 30.298 9.982 1.00 0.00 C ATOM 534 CE1 PHE A 34 77.842 32.235 11.455 1.00 0.00 C ATOM 535 CE2 PHE A 34 77.996 29.978 10.682 1.00 0.00 C ATOM 536 CZ PHE A 34 77.345 30.947 11.420 1.00 0.00 C ATOM 0 HA PHE A 34 82.964 32.362 9.665 1.00 0.00 H new ATOM 0 HB2 PHE A 34 80.645 32.623 8.442 1.00 0.00 H new ATOM 0 HB3 PHE A 34 81.293 31.030 8.779 1.00 0.00 H new ATOM 0 HD1 PHE A 34 79.374 33.559 10.782 1.00 0.00 H new ATOM 0 HD2 PHE A 34 79.650 29.536 9.408 1.00 0.00 H new ATOM 0 HE1 PHE A 34 77.335 32.995 12.031 1.00 0.00 H new ATOM 0 HE2 PHE A 34 77.608 28.970 10.652 1.00 0.00 H new ATOM 0 HZ PHE A 34 76.449 30.698 11.969 1.00 0.00 H new ATOM 546 N THR A 35 82.118 34.759 9.097 1.00 0.00 N ATOM 547 CA THR A 35 81.977 36.208 9.036 1.00 0.00 C ATOM 548 C THR A 35 80.784 36.610 8.177 1.00 0.00 C ATOM 549 O THR A 35 80.352 35.855 7.306 1.00 0.00 O ATOM 550 CB THR A 35 83.248 36.873 8.473 1.00 0.00 C ATOM 551 OG1 THR A 35 84.411 36.173 8.930 1.00 0.00 O ATOM 552 CG2 THR A 35 83.329 38.332 8.897 1.00 0.00 C ATOM 0 H THR A 35 82.481 34.334 8.243 1.00 0.00 H new ATOM 0 HA THR A 35 81.817 36.552 10.058 1.00 0.00 H new ATOM 0 HB THR A 35 83.202 36.829 7.385 1.00 0.00 H new ATOM 0 HG1 THR A 35 84.902 35.816 8.160 1.00 0.00 H new ATOM 0 HG21 THR A 35 84.234 38.780 8.488 1.00 0.00 H new ATOM 0 HG22 THR A 35 82.457 38.869 8.523 1.00 0.00 H new ATOM 0 HG23 THR A 35 83.353 38.394 9.985 1.00 0.00 H new ATOM 560 N VAL A 36 80.256 37.804 8.427 1.00 0.00 N ATOM 561 CA VAL A 36 79.113 38.306 7.674 1.00 0.00 C ATOM 562 C VAL A 36 79.357 38.207 6.172 1.00 0.00 C ATOM 563 O VAL A 36 78.435 37.947 5.399 1.00 0.00 O ATOM 564 CB VAL A 36 78.802 39.770 8.036 1.00 0.00 C ATOM 565 CG1 VAL A 36 80.020 40.649 7.801 1.00 0.00 C ATOM 566 CG2 VAL A 36 77.608 40.274 7.239 1.00 0.00 C ATOM 0 H VAL A 36 80.601 38.441 9.145 1.00 0.00 H new ATOM 0 HA VAL A 36 78.260 37.683 7.942 1.00 0.00 H new ATOM 0 HB VAL A 36 78.549 39.818 9.095 1.00 0.00 H new ATOM 0 HG11 VAL A 36 79.781 41.680 8.062 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.846 40.300 8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 36 80.308 40.599 6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 36 77.402 41.310 7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 36 77.830 40.212 6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 36 76.735 39.661 7.464 1.00 0.00 H new ATOM 576 N ALA A 37 80.605 38.415 5.766 1.00 0.00 N ATOM 577 CA ALA A 37 80.971 38.346 4.357 1.00 0.00 C ATOM 578 C ALA A 37 80.907 36.912 3.842 1.00 0.00 C ATOM 579 O ALA A 37 80.317 36.645 2.796 1.00 0.00 O ATOM 580 CB ALA A 37 82.363 38.923 4.145 1.00 0.00 C ATOM 0 H ALA A 37 81.380 38.633 6.393 1.00 0.00 H new ATOM 0 HA ALA A 37 80.253 38.940 3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 37 82.624 38.865 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 37 82.378 39.965 4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 37 83.086 38.353 4.729 1.00 0.00 H new ATOM 586 N GLU A 38 81.518 35.994 4.585 1.00 0.00 N ATOM 587 CA GLU A 38 81.531 34.587 4.201 1.00 0.00 C ATOM 588 C GLU A 38 80.114 34.020 4.165 1.00 0.00 C ATOM 589 O GLU A 38 79.715 33.379 3.193 1.00 0.00 O ATOM 590 CB GLU A 38 82.391 33.778 5.173 1.00 0.00 C ATOM 591 CG GLU A 38 83.882 33.882 4.898 1.00 0.00 C ATOM 592 CD GLU A 38 84.396 35.305 4.996 1.00 0.00 C ATOM 593 OE1 GLU A 38 84.266 36.052 4.004 1.00 0.00 O ATOM 594 OE2 GLU A 38 84.928 35.672 6.065 1.00 0.00 O ATOM 0 H GLU A 38 82.010 36.199 5.455 1.00 0.00 H new ATOM 0 HA GLU A 38 81.959 34.514 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 38 82.193 34.118 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.093 32.731 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 38 84.423 33.255 5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 38 84.092 33.492 3.902 1.00 0.00 H new ATOM 601 N VAL A 39 79.360 34.261 5.232 1.00 0.00 N ATOM 602 CA VAL A 39 77.988 33.776 5.324 1.00 0.00 C ATOM 603 C VAL A 39 77.118 34.378 4.227 1.00 0.00 C ATOM 604 O VAL A 39 76.248 33.707 3.673 1.00 0.00 O ATOM 605 CB VAL A 39 77.367 34.103 6.695 1.00 0.00 C ATOM 606 CG1 VAL A 39 75.954 33.547 6.788 1.00 0.00 C ATOM 607 CG2 VAL A 39 78.238 33.560 7.817 1.00 0.00 C ATOM 0 H VAL A 39 79.676 34.789 6.045 1.00 0.00 H new ATOM 0 HA VAL A 39 78.026 32.694 5.200 1.00 0.00 H new ATOM 0 HB VAL A 39 77.312 35.186 6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.532 33.788 7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.337 33.989 6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 39 75.980 32.465 6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 39 77.784 33.800 8.779 1.00 0.00 H new ATOM 0 HG22 VAL A 39 78.327 32.478 7.718 1.00 0.00 H new ATOM 0 HG23 VAL A 39 79.228 34.012 7.760 1.00 0.00 H new ATOM 617 N GLU A 40 77.359 35.649 3.918 1.00 0.00 N ATOM 618 CA GLU A 40 76.596 36.342 2.886 1.00 0.00 C ATOM 619 C GLU A 40 76.771 35.662 1.531 1.00 0.00 C ATOM 620 O GLU A 40 75.793 35.336 0.857 1.00 0.00 O ATOM 621 CB GLU A 40 77.032 37.805 2.795 1.00 0.00 C ATOM 622 CG GLU A 40 76.221 38.738 3.678 1.00 0.00 C ATOM 623 CD GLU A 40 76.755 40.158 3.673 1.00 0.00 C ATOM 624 OE1 GLU A 40 77.986 40.327 3.554 1.00 0.00 O ATOM 625 OE2 GLU A 40 75.942 41.098 3.788 1.00 0.00 O ATOM 0 H GLU A 40 78.076 36.219 4.367 1.00 0.00 H new ATOM 0 HA GLU A 40 75.542 36.301 3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.084 37.880 3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.950 38.136 1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 40 75.185 38.742 3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 40 76.222 38.357 4.699 1.00 0.00 H new ATOM 632 N LEU A 41 78.022 35.452 1.139 1.00 0.00 N ATOM 633 CA LEU A 41 78.327 34.811 -0.136 1.00 0.00 C ATOM 634 C LEU A 41 77.730 33.409 -0.197 1.00 0.00 C ATOM 635 O LEU A 41 77.187 32.998 -1.223 1.00 0.00 O ATOM 636 CB LEU A 41 79.840 34.744 -0.347 1.00 0.00 C ATOM 637 CG LEU A 41 80.554 36.084 -0.526 1.00 0.00 C ATOM 638 CD1 LEU A 41 82.009 35.976 -0.100 1.00 0.00 C ATOM 639 CD2 LEU A 41 80.453 36.552 -1.971 1.00 0.00 C ATOM 0 H LEU A 41 78.842 35.716 1.685 1.00 0.00 H new ATOM 0 HA LEU A 41 77.882 35.410 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.283 34.230 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 41 80.037 34.130 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 41 80.065 36.822 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.500 36.940 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 41 82.060 35.686 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.512 35.224 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 41 80.966 37.507 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 41 80.916 35.814 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 41 79.404 36.671 -2.243 1.00 0.00 H new ATOM 651 N LEU A 42 77.833 32.679 0.908 1.00 0.00 N ATOM 652 CA LEU A 42 77.302 31.323 0.982 1.00 0.00 C ATOM 653 C LEU A 42 75.787 31.321 0.800 1.00 0.00 C ATOM 654 O LEU A 42 75.263 30.703 -0.126 1.00 0.00 O ATOM 655 CB LEU A 42 77.667 30.683 2.322 1.00 0.00 C ATOM 656 CG LEU A 42 76.718 29.595 2.828 1.00 0.00 C ATOM 657 CD1 LEU A 42 76.555 28.502 1.783 1.00 0.00 C ATOM 658 CD2 LEU A 42 77.226 29.012 4.138 1.00 0.00 C ATOM 0 H LEU A 42 78.280 33.004 1.765 1.00 0.00 H new ATOM 0 HA LEU A 42 77.747 30.740 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.666 30.255 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 42 77.720 31.469 3.075 1.00 0.00 H new ATOM 0 HG LEU A 42 75.742 30.045 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 42 75.877 27.737 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 42 76.146 28.931 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.526 28.054 1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.539 28.240 4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.213 28.577 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.290 29.801 4.887 1.00 0.00 H new ATOM 670 N VAL A 43 75.089 32.018 1.691 1.00 0.00 N ATOM 671 CA VAL A 43 73.634 32.099 1.628 1.00 0.00 C ATOM 672 C VAL A 43 73.171 32.607 0.267 1.00 0.00 C ATOM 673 O VAL A 43 72.200 32.103 -0.296 1.00 0.00 O ATOM 674 CB VAL A 43 73.076 33.024 2.725 1.00 0.00 C ATOM 675 CG1 VAL A 43 71.562 33.128 2.617 1.00 0.00 C ATOM 676 CG2 VAL A 43 73.487 32.525 4.102 1.00 0.00 C ATOM 0 H VAL A 43 75.507 32.535 2.465 1.00 0.00 H new ATOM 0 HA VAL A 43 73.253 31.090 1.785 1.00 0.00 H new ATOM 0 HB VAL A 43 73.496 34.020 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 43 71.186 33.786 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 43 71.294 33.535 1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 43 71.120 32.138 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 43 73.084 33.191 4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 43 73.097 31.519 4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 43 74.575 32.508 4.173 1.00 0.00 H new ATOM 686 N GLU A 44 73.873 33.607 -0.256 1.00 0.00 N ATOM 687 CA GLU A 44 73.533 34.183 -1.552 1.00 0.00 C ATOM 688 C GLU A 44 73.701 33.153 -2.666 1.00 0.00 C ATOM 689 O GLU A 44 72.954 33.153 -3.644 1.00 0.00 O ATOM 690 CB GLU A 44 74.407 35.406 -1.837 1.00 0.00 C ATOM 691 CG GLU A 44 74.013 36.155 -3.099 1.00 0.00 C ATOM 692 CD GLU A 44 74.527 37.581 -3.116 1.00 0.00 C ATOM 693 OE1 GLU A 44 73.918 38.439 -2.443 1.00 0.00 O ATOM 694 OE2 GLU A 44 75.539 37.839 -3.801 1.00 0.00 O ATOM 0 H GLU A 44 74.680 34.035 0.197 1.00 0.00 H new ATOM 0 HA GLU A 44 72.488 34.492 -1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 44 74.352 36.087 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 44 75.446 35.088 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 44 74.400 35.623 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 44 72.927 36.163 -3.188 1.00 0.00 H new ATOM 701 N ALA A 45 74.688 32.277 -2.510 1.00 0.00 N ATOM 702 CA ALA A 45 74.953 31.241 -3.500 1.00 0.00 C ATOM 703 C ALA A 45 73.770 30.288 -3.629 1.00 0.00 C ATOM 704 O ALA A 45 73.300 30.010 -4.732 1.00 0.00 O ATOM 705 CB ALA A 45 76.215 30.473 -3.135 1.00 0.00 C ATOM 0 H ALA A 45 75.317 32.264 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 45 75.102 31.725 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 45 76.401 29.702 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 45 77.062 31.159 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 45 76.088 30.007 -2.158 1.00 0.00 H new ATOM 711 N VAL A 46 73.293 29.787 -2.493 1.00 0.00 N ATOM 712 CA VAL A 46 72.164 28.865 -2.479 1.00 0.00 C ATOM 713 C VAL A 46 70.847 29.605 -2.679 1.00 0.00 C ATOM 714 O VAL A 46 69.892 29.055 -3.226 1.00 0.00 O ATOM 715 CB VAL A 46 72.101 28.076 -1.157 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.271 29.010 0.031 1.00 0.00 C ATOM 717 CG2 VAL A 46 70.792 27.307 -1.059 1.00 0.00 C ATOM 0 H VAL A 46 73.671 30.005 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 46 72.314 28.168 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 46 72.920 27.357 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.224 28.435 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 46 73.237 29.511 -0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.475 29.754 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 46 70.764 26.755 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 46 69.956 28.006 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 46 70.717 26.608 -1.892 1.00 0.00 H new ATOM 727 N GLU A 47 70.804 30.857 -2.233 1.00 0.00 N ATOM 728 CA GLU A 47 69.602 31.673 -2.364 1.00 0.00 C ATOM 729 C GLU A 47 69.372 32.072 -3.819 1.00 0.00 C ATOM 730 O GLU A 47 68.274 31.908 -4.352 1.00 0.00 O ATOM 731 CB GLU A 47 69.712 32.925 -1.491 1.00 0.00 C ATOM 732 CG GLU A 47 68.494 33.831 -1.571 1.00 0.00 C ATOM 733 CD GLU A 47 68.492 34.900 -0.496 1.00 0.00 C ATOM 734 OE1 GLU A 47 69.477 34.978 0.267 1.00 0.00 O ATOM 735 OE2 GLU A 47 67.503 35.660 -0.418 1.00 0.00 O ATOM 0 H GLU A 47 71.586 31.328 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 47 68.751 31.079 -2.029 1.00 0.00 H new ATOM 0 HB2 GLU A 47 69.862 32.623 -0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 47 70.595 33.490 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 47 68.463 34.307 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 47 67.590 33.228 -1.481 1.00 0.00 H new ATOM 742 N HIS A 48 70.414 32.598 -4.455 1.00 0.00 N ATOM 743 CA HIS A 48 70.326 33.021 -5.848 1.00 0.00 C ATOM 744 C HIS A 48 69.802 31.889 -6.727 1.00 0.00 C ATOM 745 O HIS A 48 69.109 32.128 -7.717 1.00 0.00 O ATOM 746 CB HIS A 48 71.694 33.482 -6.350 1.00 0.00 C ATOM 747 CG HIS A 48 71.621 34.378 -7.548 1.00 0.00 C ATOM 748 ND1 HIS A 48 72.738 34.818 -8.227 1.00 0.00 N ATOM 749 CD2 HIS A 48 70.557 34.915 -8.189 1.00 0.00 C ATOM 750 CE1 HIS A 48 72.363 35.589 -9.233 1.00 0.00 C ATOM 751 NE2 HIS A 48 71.044 35.663 -9.232 1.00 0.00 N ATOM 0 H HIS A 48 71.329 32.741 -4.028 1.00 0.00 H new ATOM 0 HA HIS A 48 69.627 33.855 -5.906 1.00 0.00 H new ATOM 0 HB2 HIS A 48 72.210 34.006 -5.545 1.00 0.00 H new ATOM 0 HB3 HIS A 48 72.295 32.607 -6.597 1.00 0.00 H new ATOM 0 HD2 HIS A 48 69.518 34.780 -7.928 1.00 0.00 H new ATOM 0 HE1 HIS A 48 73.023 36.076 -9.936 1.00 0.00 H new ATOM 0 HE2 HIS A 48 70.479 36.190 -9.898 1.00 0.00 H new ATOM 759 N LEU A 49 70.139 30.658 -6.360 1.00 0.00 N ATOM 760 CA LEU A 49 69.703 29.488 -7.116 1.00 0.00 C ATOM 761 C LEU A 49 68.612 28.731 -6.367 1.00 0.00 C ATOM 762 O LEU A 49 68.186 27.656 -6.789 1.00 0.00 O ATOM 763 CB LEU A 49 70.889 28.561 -7.388 1.00 0.00 C ATOM 764 CG LEU A 49 72.162 29.233 -7.904 1.00 0.00 C ATOM 765 CD1 LEU A 49 73.388 28.416 -7.528 1.00 0.00 C ATOM 766 CD2 LEU A 49 72.089 29.425 -9.412 1.00 0.00 C ATOM 0 H LEU A 49 70.712 30.443 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 49 69.294 29.832 -8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 49 71.130 28.032 -6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 49 70.578 27.810 -8.115 1.00 0.00 H new ATOM 0 HG LEU A 49 72.247 30.214 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 49 74.284 28.910 -7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 49 73.449 28.330 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 49 73.311 27.421 -7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 49 73.003 29.905 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 49 71.979 28.455 -9.897 1.00 0.00 H new ATOM 0 HD23 LEU A 49 71.233 30.053 -9.658 1.00 0.00 H new ATOM 778 N GLY A 50 68.162 29.300 -5.252 1.00 0.00 N ATOM 779 CA GLY A 50 67.123 28.665 -4.463 1.00 0.00 C ATOM 780 C GLY A 50 67.460 27.231 -4.106 1.00 0.00 C ATOM 781 O GLY A 50 68.254 26.978 -3.200 1.00 0.00 O ATOM 0 H GLY A 50 68.499 30.189 -4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 50 66.966 29.236 -3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.185 28.687 -5.018 1.00 0.00 H new ATOM 785 N THR A 51 66.853 26.287 -4.819 1.00 0.00 N ATOM 786 CA THR A 51 67.091 24.871 -4.572 1.00 0.00 C ATOM 787 C THR A 51 67.280 24.108 -5.878 1.00 0.00 C ATOM 788 O THR A 51 66.362 23.446 -6.360 1.00 0.00 O ATOM 789 CB THR A 51 65.930 24.236 -3.783 1.00 0.00 C ATOM 790 OG1 THR A 51 64.689 24.840 -4.167 1.00 0.00 O ATOM 791 CG2 THR A 51 66.138 24.401 -2.286 1.00 0.00 C ATOM 0 H THR A 51 66.193 26.478 -5.572 1.00 0.00 H new ATOM 0 HA THR A 51 68.004 24.803 -3.980 1.00 0.00 H new ATOM 0 HB THR A 51 65.903 23.171 -4.014 1.00 0.00 H new ATOM 0 HG1 THR A 51 63.956 24.430 -3.663 1.00 0.00 H new ATOM 0 HG21 THR A 51 65.305 23.945 -1.751 1.00 0.00 H new ATOM 0 HG22 THR A 51 67.068 23.915 -1.992 1.00 0.00 H new ATOM 0 HG23 THR A 51 66.190 25.462 -2.041 1.00 0.00 H new ATOM 799 N GLY A 52 68.478 24.205 -6.446 1.00 0.00 N ATOM 800 CA GLY A 52 68.766 23.518 -7.692 1.00 0.00 C ATOM 801 C GLY A 52 70.148 22.895 -7.705 1.00 0.00 C ATOM 802 O GLY A 52 70.569 22.283 -6.723 1.00 0.00 O ATOM 0 H GLY A 52 69.254 24.747 -6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.019 22.741 -7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.681 24.222 -8.520 1.00 0.00 H new ATOM 806 N ARG A 53 70.855 23.049 -8.820 1.00 0.00 N ATOM 807 CA ARG A 53 72.196 22.494 -8.957 1.00 0.00 C ATOM 808 C ARG A 53 73.130 23.059 -7.890 1.00 0.00 C ATOM 809 O ARG A 53 73.244 24.274 -7.732 1.00 0.00 O ATOM 810 CB ARG A 53 72.754 22.793 -10.349 1.00 0.00 C ATOM 811 CG ARG A 53 72.124 21.957 -11.451 1.00 0.00 C ATOM 812 CD ARG A 53 72.764 22.240 -12.801 1.00 0.00 C ATOM 813 NE ARG A 53 72.219 23.443 -13.424 1.00 0.00 N ATOM 814 CZ ARG A 53 71.017 23.498 -13.988 1.00 0.00 C ATOM 815 NH1 ARG A 53 70.240 22.424 -14.007 1.00 0.00 N ATOM 816 NH2 ARG A 53 70.591 24.630 -14.535 1.00 0.00 N ATOM 0 H ARG A 53 70.521 23.553 -9.641 1.00 0.00 H new ATOM 0 HA ARG A 53 72.131 21.414 -8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 53 72.601 23.849 -10.573 1.00 0.00 H new ATOM 0 HB3 ARG A 53 73.830 22.621 -10.344 1.00 0.00 H new ATOM 0 HG2 ARG A 53 72.230 20.899 -11.212 1.00 0.00 H new ATOM 0 HG3 ARG A 53 71.056 22.167 -11.503 1.00 0.00 H new ATOM 0 HD2 ARG A 53 73.841 22.353 -12.675 1.00 0.00 H new ATOM 0 HD3 ARG A 53 72.608 21.387 -13.462 1.00 0.00 H new ATOM 0 HE ARG A 53 72.792 24.287 -13.426 1.00 0.00 H new ATOM 0 HH11 ARG A 53 70.564 21.552 -13.588 1.00 0.00 H new ATOM 0 HH12 ARG A 53 69.318 22.469 -14.441 1.00 0.00 H new ATOM 0 HH21 ARG A 53 71.186 25.458 -14.523 1.00 0.00 H new ATOM 0 HH22 ARG A 53 69.668 24.672 -14.968 1.00 0.00 H new ATOM 830 N TRP A 54 73.794 22.169 -7.162 1.00 0.00 N ATOM 831 CA TRP A 54 74.717 22.579 -6.110 1.00 0.00 C ATOM 832 C TRP A 54 75.983 23.188 -6.704 1.00 0.00 C ATOM 833 O TRP A 54 76.583 24.089 -6.117 1.00 0.00 O ATOM 834 CB TRP A 54 75.078 21.384 -5.226 1.00 0.00 C ATOM 835 CG TRP A 54 73.901 20.523 -4.881 1.00 0.00 C ATOM 836 CD1 TRP A 54 73.840 19.160 -4.930 1.00 0.00 C ATOM 837 CD2 TRP A 54 72.614 20.968 -4.437 1.00 0.00 C ATOM 838 NE1 TRP A 54 72.594 18.730 -4.543 1.00 0.00 N ATOM 839 CE2 TRP A 54 71.824 19.820 -4.235 1.00 0.00 C ATOM 840 CE3 TRP A 54 72.054 22.224 -4.188 1.00 0.00 C ATOM 841 CZ2 TRP A 54 70.504 19.893 -3.797 1.00 0.00 C ATOM 842 CZ3 TRP A 54 70.744 22.295 -3.755 1.00 0.00 C ATOM 843 CH2 TRP A 54 69.981 21.136 -3.562 1.00 0.00 C ATOM 0 H TRP A 54 73.711 21.159 -7.281 1.00 0.00 H new ATOM 0 HA TRP A 54 74.222 23.336 -5.502 1.00 0.00 H new ATOM 0 HB2 TRP A 54 75.826 20.777 -5.736 1.00 0.00 H new ATOM 0 HB3 TRP A 54 75.536 21.747 -4.306 1.00 0.00 H new ATOM 0 HD1 TRP A 54 74.652 18.514 -5.229 1.00 0.00 H new ATOM 0 HE1 TRP A 54 72.291 17.757 -4.493 1.00 0.00 H new ATOM 0 HE3 TRP A 54 72.635 23.123 -4.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 69.914 19.001 -3.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 70.300 23.261 -3.562 1.00 0.00 H new ATOM 0 HH2 TRP A 54 68.960 21.225 -3.221 1.00 0.00 H new ATOM 854 N ARG A 55 76.382 22.692 -7.870 1.00 0.00 N ATOM 855 CA ARG A 55 77.578 23.188 -8.542 1.00 0.00 C ATOM 856 C ARG A 55 77.489 24.695 -8.767 1.00 0.00 C ATOM 857 O ARG A 55 78.439 25.430 -8.496 1.00 0.00 O ATOM 858 CB ARG A 55 77.771 22.472 -9.880 1.00 0.00 C ATOM 859 CG ARG A 55 78.871 23.073 -10.739 1.00 0.00 C ATOM 860 CD ARG A 55 79.394 22.071 -11.756 1.00 0.00 C ATOM 861 NE ARG A 55 80.272 21.077 -11.143 1.00 0.00 N ATOM 862 CZ ARG A 55 81.060 20.264 -11.839 1.00 0.00 C ATOM 863 NH1 ARG A 55 81.080 20.328 -13.163 1.00 0.00 N ATOM 864 NH2 ARG A 55 81.830 19.386 -11.209 1.00 0.00 N ATOM 0 H ARG A 55 75.895 21.947 -8.369 1.00 0.00 H new ATOM 0 HA ARG A 55 78.436 22.983 -7.902 1.00 0.00 H new ATOM 0 HB2 ARG A 55 78.001 21.423 -9.691 1.00 0.00 H new ATOM 0 HB3 ARG A 55 76.833 22.498 -10.435 1.00 0.00 H new ATOM 0 HG2 ARG A 55 78.490 23.953 -11.257 1.00 0.00 H new ATOM 0 HG3 ARG A 55 79.690 23.408 -10.102 1.00 0.00 H new ATOM 0 HD2 ARG A 55 78.554 21.567 -12.234 1.00 0.00 H new ATOM 0 HD3 ARG A 55 79.936 22.600 -12.540 1.00 0.00 H new ATOM 0 HE ARG A 55 80.281 21.003 -10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 55 80.490 21.002 -13.650 1.00 0.00 H new ATOM 0 HH12 ARG A 55 81.686 19.703 -13.695 1.00 0.00 H new ATOM 0 HH21 ARG A 55 81.817 19.335 -10.190 1.00 0.00 H new ATOM 0 HH22 ARG A 55 82.435 18.762 -11.743 1.00 0.00 H new ATOM 878 N ASP A 56 76.343 25.147 -9.265 1.00 0.00 N ATOM 879 CA ASP A 56 76.130 26.566 -9.526 1.00 0.00 C ATOM 880 C ASP A 56 76.332 27.388 -8.257 1.00 0.00 C ATOM 881 O ASP A 56 76.778 28.534 -8.312 1.00 0.00 O ATOM 882 CB ASP A 56 74.724 26.798 -10.082 1.00 0.00 C ATOM 883 CG ASP A 56 74.575 28.162 -10.727 1.00 0.00 C ATOM 884 OD1 ASP A 56 75.363 29.069 -10.386 1.00 0.00 O ATOM 885 OD2 ASP A 56 73.671 28.322 -11.573 1.00 0.00 O ATOM 0 H ASP A 56 75.548 24.552 -9.496 1.00 0.00 H new ATOM 0 HA ASP A 56 76.862 26.889 -10.266 1.00 0.00 H new ATOM 0 HB2 ASP A 56 74.494 26.025 -10.816 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.997 26.699 -9.276 1.00 0.00 H new ATOM 890 N VAL A 57 75.999 26.796 -7.115 1.00 0.00 N ATOM 891 CA VAL A 57 76.142 27.474 -5.832 1.00 0.00 C ATOM 892 C VAL A 57 77.612 27.643 -5.462 1.00 0.00 C ATOM 893 O VAL A 57 78.042 28.725 -5.062 1.00 0.00 O ATOM 894 CB VAL A 57 75.426 26.703 -4.707 1.00 0.00 C ATOM 895 CG1 VAL A 57 75.625 27.402 -3.371 1.00 0.00 C ATOM 896 CG2 VAL A 57 73.946 26.553 -5.024 1.00 0.00 C ATOM 0 H VAL A 57 75.628 25.848 -7.052 1.00 0.00 H new ATOM 0 HA VAL A 57 75.681 28.456 -5.939 1.00 0.00 H new ATOM 0 HB VAL A 57 75.862 25.707 -4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 57 75.112 26.843 -2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 57 76.689 27.453 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 57 75.216 28.411 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 57 73.455 26.006 -4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 57 73.493 27.540 -5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 57 73.828 26.006 -5.959 1.00 0.00 H new ATOM 906 N LYS A 58 78.378 26.566 -5.597 1.00 0.00 N ATOM 907 CA LYS A 58 79.801 26.594 -5.279 1.00 0.00 C ATOM 908 C LYS A 58 80.549 27.537 -6.215 1.00 0.00 C ATOM 909 O LYS A 58 81.588 28.091 -5.854 1.00 0.00 O ATOM 910 CB LYS A 58 80.393 25.186 -5.376 1.00 0.00 C ATOM 911 CG LYS A 58 81.704 25.025 -4.625 1.00 0.00 C ATOM 912 CD LYS A 58 82.580 23.956 -5.255 1.00 0.00 C ATOM 913 CE LYS A 58 83.263 24.467 -6.515 1.00 0.00 C ATOM 914 NZ LYS A 58 84.500 23.698 -6.826 1.00 0.00 N ATOM 0 H LYS A 58 78.037 25.662 -5.925 1.00 0.00 H new ATOM 0 HA LYS A 58 79.913 26.960 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.670 24.469 -4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.552 24.939 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 58 82.238 25.975 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.500 24.764 -3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 58 83.334 23.632 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 58 81.974 23.083 -5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 58 82.572 24.399 -7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 58 83.512 25.521 -6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 84.936 24.077 -7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 85.170 23.783 -6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 84.259 22.696 -6.969 1.00 0.00 H new ATOM 928 N PHE A 59 80.014 27.718 -7.418 1.00 0.00 N ATOM 929 CA PHE A 59 80.632 28.596 -8.405 1.00 0.00 C ATOM 930 C PHE A 59 80.175 30.039 -8.211 1.00 0.00 C ATOM 931 O PHE A 59 80.986 30.965 -8.232 1.00 0.00 O ATOM 932 CB PHE A 59 80.289 28.127 -9.821 1.00 0.00 C ATOM 933 CG PHE A 59 80.712 29.092 -10.891 1.00 0.00 C ATOM 934 CD1 PHE A 59 82.003 29.066 -11.394 1.00 0.00 C ATOM 935 CD2 PHE A 59 79.819 30.025 -11.394 1.00 0.00 C ATOM 936 CE1 PHE A 59 82.395 29.954 -12.378 1.00 0.00 C ATOM 937 CE2 PHE A 59 80.206 30.915 -12.378 1.00 0.00 C ATOM 938 CZ PHE A 59 81.495 30.878 -12.872 1.00 0.00 C ATOM 0 H PHE A 59 79.154 27.269 -7.733 1.00 0.00 H new ATOM 0 HA PHE A 59 81.712 28.554 -8.267 1.00 0.00 H new ATOM 0 HB2 PHE A 59 80.767 27.164 -10.002 1.00 0.00 H new ATOM 0 HB3 PHE A 59 79.213 27.967 -9.892 1.00 0.00 H new ATOM 0 HD1 PHE A 59 82.710 28.344 -11.013 1.00 0.00 H new ATOM 0 HD2 PHE A 59 78.809 30.057 -11.013 1.00 0.00 H new ATOM 0 HE1 PHE A 59 83.405 29.925 -12.760 1.00 0.00 H new ATOM 0 HE2 PHE A 59 79.501 31.639 -12.760 1.00 0.00 H new ATOM 0 HZ PHE A 59 81.799 31.570 -13.643 1.00 0.00 H new ATOM 948 N ARG A 60 78.873 30.221 -8.021 1.00 0.00 N ATOM 949 CA ARG A 60 78.308 31.550 -7.825 1.00 0.00 C ATOM 950 C ARG A 60 78.683 32.104 -6.453 1.00 0.00 C ATOM 951 O ARG A 60 78.771 33.317 -6.265 1.00 0.00 O ATOM 952 CB ARG A 60 76.785 31.507 -7.970 1.00 0.00 C ATOM 953 CG ARG A 60 76.101 32.811 -7.595 1.00 0.00 C ATOM 954 CD ARG A 60 76.562 33.958 -8.481 1.00 0.00 C ATOM 955 NE ARG A 60 75.928 35.222 -8.116 1.00 0.00 N ATOM 956 CZ ARG A 60 75.932 36.298 -8.894 1.00 0.00 C ATOM 957 NH1 ARG A 60 76.532 36.264 -10.076 1.00 0.00 N ATOM 958 NH2 ARG A 60 75.333 37.412 -8.491 1.00 0.00 N ATOM 0 H ARG A 60 78.189 29.465 -7.999 1.00 0.00 H new ATOM 0 HA ARG A 60 78.721 32.209 -8.589 1.00 0.00 H new ATOM 0 HB2 ARG A 60 76.533 31.258 -9.001 1.00 0.00 H new ATOM 0 HB3 ARG A 60 76.391 30.707 -7.344 1.00 0.00 H new ATOM 0 HG2 ARG A 60 75.021 32.694 -7.682 1.00 0.00 H new ATOM 0 HG3 ARG A 60 76.313 33.047 -6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 60 77.645 34.061 -8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 60 76.335 33.726 -9.522 1.00 0.00 H new ATOM 0 HE ARG A 60 75.456 35.282 -7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 60 76.992 35.410 -10.390 1.00 0.00 H new ATOM 0 HH12 ARG A 60 76.533 37.092 -10.671 1.00 0.00 H new ATOM 0 HH21 ARG A 60 74.869 37.442 -7.583 1.00 0.00 H new ATOM 0 HH22 ARG A 60 75.337 38.238 -9.089 1.00 0.00 H new ATOM 972 N ALA A 61 78.903 31.206 -5.499 1.00 0.00 N ATOM 973 CA ALA A 61 79.271 31.604 -4.146 1.00 0.00 C ATOM 974 C ALA A 61 80.453 32.567 -4.159 1.00 0.00 C ATOM 975 O ALA A 61 80.297 33.761 -3.900 1.00 0.00 O ATOM 976 CB ALA A 61 79.596 30.378 -3.305 1.00 0.00 C ATOM 0 H ALA A 61 78.833 30.198 -5.638 1.00 0.00 H new ATOM 0 HA ALA A 61 78.420 32.121 -3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 61 79.869 30.690 -2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.723 29.726 -3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 61 80.429 29.838 -3.756 1.00 0.00 H new ATOM 982 N PHE A 62 81.635 32.042 -4.461 1.00 0.00 N ATOM 983 CA PHE A 62 82.845 32.856 -4.506 1.00 0.00 C ATOM 984 C PHE A 62 83.810 32.337 -5.568 1.00 0.00 C ATOM 985 O PHE A 62 84.448 33.117 -6.275 1.00 0.00 O ATOM 986 CB PHE A 62 83.530 32.864 -3.138 1.00 0.00 C ATOM 987 CG PHE A 62 83.304 31.608 -2.346 1.00 0.00 C ATOM 988 CD1 PHE A 62 84.005 30.451 -2.643 1.00 0.00 C ATOM 989 CD2 PHE A 62 82.389 31.585 -1.306 1.00 0.00 C ATOM 990 CE1 PHE A 62 83.799 29.293 -1.916 1.00 0.00 C ATOM 991 CE2 PHE A 62 82.180 30.431 -0.575 1.00 0.00 C ATOM 992 CZ PHE A 62 82.885 29.283 -0.881 1.00 0.00 C ATOM 0 H PHE A 62 81.782 31.056 -4.678 1.00 0.00 H new ATOM 0 HA PHE A 62 82.559 33.875 -4.767 1.00 0.00 H new ATOM 0 HB2 PHE A 62 84.601 33.008 -3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 62 83.167 33.716 -2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 62 84.721 30.453 -3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 62 81.833 32.479 -1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 62 84.352 28.397 -2.157 1.00 0.00 H new ATOM 0 HE2 PHE A 62 81.466 30.427 0.235 1.00 0.00 H new ATOM 0 HZ PHE A 62 82.722 28.380 -0.312 1.00 0.00 H new ATOM 1002 N GLU A 63 83.911 31.016 -5.672 1.00 0.00 N ATOM 1003 CA GLU A 63 84.800 30.393 -6.647 1.00 0.00 C ATOM 1004 C GLU A 63 86.196 31.005 -6.578 1.00 0.00 C ATOM 1005 O GLU A 63 86.896 31.095 -7.586 1.00 0.00 O ATOM 1006 CB GLU A 63 84.232 30.548 -8.059 1.00 0.00 C ATOM 1007 CG GLU A 63 84.895 29.642 -9.084 1.00 0.00 C ATOM 1008 CD GLU A 63 84.995 30.286 -10.453 1.00 0.00 C ATOM 1009 OE1 GLU A 63 84.353 31.337 -10.662 1.00 0.00 O ATOM 1010 OE2 GLU A 63 85.713 29.739 -11.316 1.00 0.00 O ATOM 0 H GLU A 63 83.389 30.357 -5.094 1.00 0.00 H new ATOM 0 HA GLU A 63 84.875 29.332 -6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 63 83.163 30.336 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.345 31.585 -8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 63 85.894 29.377 -8.737 1.00 0.00 H new ATOM 0 HG3 GLU A 63 84.329 28.714 -9.164 1.00 0.00 H new ATOM 1081 N ARG A 68 85.771 24.506 0.969 1.00 0.00 N ATOM 1082 CA ARG A 68 84.319 24.591 0.864 1.00 0.00 C ATOM 1083 C ARG A 68 83.815 23.813 -0.347 1.00 0.00 C ATOM 1084 O ARG A 68 84.345 23.947 -1.451 1.00 0.00 O ATOM 1085 CB ARG A 68 83.878 26.052 0.765 1.00 0.00 C ATOM 1086 CG ARG A 68 82.665 26.382 1.618 1.00 0.00 C ATOM 1087 CD ARG A 68 83.000 26.348 3.101 1.00 0.00 C ATOM 1088 NE ARG A 68 83.752 27.528 3.519 1.00 0.00 N ATOM 1089 CZ ARG A 68 83.973 27.847 4.789 1.00 0.00 C ATOM 1090 NH1 ARG A 68 83.501 27.078 5.761 1.00 0.00 N ATOM 1091 NH2 ARG A 68 84.666 28.938 5.090 1.00 0.00 N ATOM 0 HA ARG A 68 83.889 24.149 1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 68 84.707 26.694 1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 68 83.654 26.285 -0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 68 82.289 27.370 1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 68 81.867 25.670 1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 68 82.079 26.282 3.679 1.00 0.00 H new ATOM 0 HD3 ARG A 68 83.580 25.452 3.321 1.00 0.00 H new ATOM 0 HE ARG A 68 84.128 28.141 2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 68 82.967 26.239 5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 68 83.672 27.325 6.736 1.00 0.00 H new ATOM 0 HH21 ARG A 68 85.030 29.533 4.345 1.00 0.00 H new ATOM 0 HH22 ARG A 68 84.835 29.182 6.066 1.00 0.00 H new ATOM 1105 N THR A 69 82.787 22.997 -0.134 1.00 0.00 N ATOM 1106 CA THR A 69 82.212 22.196 -1.208 1.00 0.00 C ATOM 1107 C THR A 69 80.735 22.517 -1.402 1.00 0.00 C ATOM 1108 O THR A 69 80.056 22.953 -0.472 1.00 0.00 O ATOM 1109 CB THR A 69 82.366 20.689 -0.928 1.00 0.00 C ATOM 1110 OG1 THR A 69 83.703 20.403 -0.502 1.00 0.00 O ATOM 1111 CG2 THR A 69 82.039 19.872 -2.169 1.00 0.00 C ATOM 0 H THR A 69 82.336 22.874 0.772 1.00 0.00 H new ATOM 0 HA THR A 69 82.758 22.447 -2.117 1.00 0.00 H new ATOM 0 HB THR A 69 81.667 20.416 -0.137 1.00 0.00 H new ATOM 0 HG1 THR A 69 83.792 19.443 -0.325 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.155 18.811 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 69 81.011 20.069 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 69 82.716 20.150 -2.976 1.00 0.00 H new ATOM 1119 N TYR A 70 80.242 22.297 -2.616 1.00 0.00 N ATOM 1120 CA TYR A 70 78.844 22.565 -2.933 1.00 0.00 C ATOM 1121 C TYR A 70 77.920 21.937 -1.894 1.00 0.00 C ATOM 1122 O TYR A 70 76.963 22.563 -1.438 1.00 0.00 O ATOM 1123 CB TYR A 70 78.503 22.029 -4.325 1.00 0.00 C ATOM 1124 CG TYR A 70 78.806 20.558 -4.498 1.00 0.00 C ATOM 1125 CD1 TYR A 70 80.075 20.128 -4.867 1.00 0.00 C ATOM 1126 CD2 TYR A 70 77.823 19.597 -4.292 1.00 0.00 C ATOM 1127 CE1 TYR A 70 80.355 18.785 -5.027 1.00 0.00 C ATOM 1128 CE2 TYR A 70 78.095 18.252 -4.449 1.00 0.00 C ATOM 1129 CZ TYR A 70 79.363 17.851 -4.817 1.00 0.00 C ATOM 1130 OH TYR A 70 79.639 16.512 -4.974 1.00 0.00 O ATOM 0 H TYR A 70 80.789 21.934 -3.396 1.00 0.00 H new ATOM 0 HA TYR A 70 78.695 23.645 -2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 70 77.444 22.199 -4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 70 79.060 22.596 -5.070 1.00 0.00 H new ATOM 0 HD1 TYR A 70 80.855 20.856 -5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 70 76.829 19.907 -4.004 1.00 0.00 H new ATOM 0 HE1 TYR A 70 81.346 18.468 -5.315 1.00 0.00 H new ATOM 0 HE2 TYR A 70 77.320 17.518 -4.285 1.00 0.00 H new ATOM 0 HH TYR A 70 78.832 15.988 -4.788 1.00 0.00 H new ATOM 1140 N VAL A 71 78.214 20.695 -1.523 1.00 0.00 N ATOM 1141 CA VAL A 71 77.412 19.982 -0.536 1.00 0.00 C ATOM 1142 C VAL A 71 77.471 20.671 0.822 1.00 0.00 C ATOM 1143 O VAL A 71 76.489 20.686 1.565 1.00 0.00 O ATOM 1144 CB VAL A 71 77.881 18.523 -0.380 1.00 0.00 C ATOM 1145 CG1 VAL A 71 79.341 18.474 0.042 1.00 0.00 C ATOM 1146 CG2 VAL A 71 77.003 17.785 0.619 1.00 0.00 C ATOM 0 H VAL A 71 79.002 20.162 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 71 76.384 19.989 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 71 77.790 18.025 -1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 71 79.655 17.435 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 71 79.955 18.964 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 71 79.462 18.988 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 71 77.349 16.756 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 71 77.059 18.280 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 71 75.971 17.789 0.269 1.00 0.00 H new ATOM 1156 N ASP A 72 78.627 21.242 1.140 1.00 0.00 N ATOM 1157 CA ASP A 72 78.815 21.935 2.409 1.00 0.00 C ATOM 1158 C ASP A 72 77.984 23.213 2.458 1.00 0.00 C ATOM 1159 O ASP A 72 77.439 23.573 3.503 1.00 0.00 O ATOM 1160 CB ASP A 72 80.293 22.264 2.622 1.00 0.00 C ATOM 1161 CG ASP A 72 81.022 21.182 3.394 1.00 0.00 C ATOM 1162 OD1 ASP A 72 80.441 20.092 3.581 1.00 0.00 O ATOM 1163 OD2 ASP A 72 82.174 21.425 3.810 1.00 0.00 O ATOM 0 H ASP A 72 79.449 21.239 0.536 1.00 0.00 H new ATOM 0 HA ASP A 72 78.480 21.274 3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 72 80.774 22.403 1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 72 80.378 23.209 3.158 1.00 0.00 H new ATOM 1168 N LEU A 73 77.892 23.896 1.322 1.00 0.00 N ATOM 1169 CA LEU A 73 77.128 25.136 1.235 1.00 0.00 C ATOM 1170 C LEU A 73 75.640 24.875 1.446 1.00 0.00 C ATOM 1171 O LEU A 73 74.977 25.578 2.210 1.00 0.00 O ATOM 1172 CB LEU A 73 77.353 25.802 -0.123 1.00 0.00 C ATOM 1173 CG LEU A 73 78.810 26.030 -0.526 1.00 0.00 C ATOM 1174 CD1 LEU A 73 78.891 26.923 -1.755 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.594 26.636 0.629 1.00 0.00 C ATOM 0 H LEU A 73 78.337 23.612 0.449 1.00 0.00 H new ATOM 0 HA LEU A 73 77.476 25.804 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 73 76.877 25.190 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 73 76.842 26.765 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 73 79.254 25.066 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.936 27.074 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.365 26.450 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.430 27.886 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.629 26.791 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.150 27.592 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.565 25.959 1.483 1.00 0.00 H new ATOM 1187 N LYS A 74 75.121 23.858 0.766 1.00 0.00 N ATOM 1188 CA LYS A 74 73.712 23.500 0.881 1.00 0.00 C ATOM 1189 C LYS A 74 73.375 23.064 2.303 1.00 0.00 C ATOM 1190 O LYS A 74 72.384 23.510 2.882 1.00 0.00 O ATOM 1191 CB LYS A 74 73.367 22.380 -0.103 1.00 0.00 C ATOM 1192 CG LYS A 74 72.060 22.602 -0.844 1.00 0.00 C ATOM 1193 CD LYS A 74 70.898 22.788 0.117 1.00 0.00 C ATOM 1194 CE LYS A 74 70.699 21.561 0.994 1.00 0.00 C ATOM 1195 NZ LYS A 74 70.353 20.356 0.191 1.00 0.00 N ATOM 0 H LYS A 74 75.655 23.267 0.129 1.00 0.00 H new ATOM 0 HA LYS A 74 73.118 24.382 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 74 74.175 22.284 -0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 74 73.312 21.436 0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 74 72.148 23.480 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 74 71.861 21.751 -1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 74 71.080 23.660 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 74 69.986 22.986 -0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 74 71.609 21.370 1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 74 69.907 21.756 1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 70.045 19.592 0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 69.584 20.588 -0.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 71.188 20.044 -0.345 1.00 0.00 H new ATOM 1209 N ASP A 75 74.206 22.190 2.861 1.00 0.00 N ATOM 1210 CA ASP A 75 73.998 21.695 4.217 1.00 0.00 C ATOM 1211 C ASP A 75 74.167 22.817 5.237 1.00 0.00 C ATOM 1212 O ASP A 75 73.441 22.884 6.229 1.00 0.00 O ATOM 1213 CB ASP A 75 74.975 20.559 4.524 1.00 0.00 C ATOM 1214 CG ASP A 75 74.271 19.239 4.765 1.00 0.00 C ATOM 1215 OD1 ASP A 75 73.714 18.678 3.797 1.00 0.00 O ATOM 1216 OD2 ASP A 75 74.277 18.766 5.920 1.00 0.00 O ATOM 0 H ASP A 75 75.030 21.810 2.395 1.00 0.00 H new ATOM 0 HA ASP A 75 72.979 21.316 4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 75 75.672 20.449 3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 75 75.565 20.819 5.403 1.00 0.00 H new ATOM 1221 N LYS A 76 75.130 23.697 4.987 1.00 0.00 N ATOM 1222 CA LYS A 76 75.396 24.817 5.882 1.00 0.00 C ATOM 1223 C LYS A 76 74.206 25.771 5.928 1.00 0.00 C ATOM 1224 O LYS A 76 73.882 26.323 6.979 1.00 0.00 O ATOM 1225 CB LYS A 76 76.649 25.571 5.432 1.00 0.00 C ATOM 1226 CG LYS A 76 77.036 26.714 6.355 1.00 0.00 C ATOM 1227 CD LYS A 76 77.424 26.209 7.734 1.00 0.00 C ATOM 1228 CE LYS A 76 78.282 27.222 8.477 1.00 0.00 C ATOM 1229 NZ LYS A 76 79.612 27.403 7.831 1.00 0.00 N ATOM 0 H LYS A 76 75.740 23.656 4.171 1.00 0.00 H new ATOM 0 HA LYS A 76 75.560 24.418 6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 76 77.481 24.870 5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.485 25.965 4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 76 77.869 27.267 5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.202 27.410 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 76 76.524 25.999 8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 76 77.968 25.270 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 76 77.763 28.180 8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 76 78.420 26.894 9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 80.295 27.752 8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 79.940 26.492 7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 79.531 28.092 7.056 1.00 0.00 H new ATOM 1243 N TRP A 77 73.559 25.958 4.783 1.00 0.00 N ATOM 1244 CA TRP A 77 72.404 26.844 4.694 1.00 0.00 C ATOM 1245 C TRP A 77 71.213 26.263 5.449 1.00 0.00 C ATOM 1246 O TRP A 77 70.602 26.937 6.279 1.00 0.00 O ATOM 1247 CB TRP A 77 72.029 27.081 3.231 1.00 0.00 C ATOM 1248 CG TRP A 77 70.700 27.754 3.059 1.00 0.00 C ATOM 1249 CD1 TRP A 77 70.349 28.998 3.499 1.00 0.00 C ATOM 1250 CD2 TRP A 77 69.547 27.217 2.403 1.00 0.00 C ATOM 1251 NE1 TRP A 77 69.046 29.267 3.156 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.532 28.191 2.482 1.00 0.00 C ATOM 1253 CE3 TRP A 77 69.273 26.010 1.754 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 67.266 27.992 1.937 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 68.016 25.814 1.215 1.00 0.00 C ATOM 1256 CH2 TRP A 77 67.025 26.801 1.308 1.00 0.00 C ATOM 0 H TRP A 77 73.814 25.508 3.904 1.00 0.00 H new ATOM 0 HA TRP A 77 72.672 27.796 5.152 1.00 0.00 H new ATOM 0 HB2 TRP A 77 72.800 27.690 2.760 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.014 26.125 2.708 1.00 0.00 H new ATOM 0 HD1 TRP A 77 71.000 29.671 4.037 1.00 0.00 H new ATOM 0 HE1 TRP A 77 68.543 30.128 3.369 1.00 0.00 H new ATOM 0 HE3 TRP A 77 70.030 25.244 1.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.501 28.751 2.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 67.793 24.884 0.713 1.00 0.00 H new ATOM 0 HH2 TRP A 77 66.053 26.618 0.875 1.00 0.00 H new ATOM 1267 N LYS A 78 70.887 25.008 5.156 1.00 0.00 N ATOM 1268 CA LYS A 78 69.770 24.336 5.808 1.00 0.00 C ATOM 1269 C LYS A 78 69.928 24.365 7.325 1.00 0.00 C ATOM 1270 O LYS A 78 68.987 24.686 8.052 1.00 0.00 O ATOM 1271 CB LYS A 78 69.667 22.888 5.324 1.00 0.00 C ATOM 1272 CG LYS A 78 68.591 22.084 6.033 1.00 0.00 C ATOM 1273 CD LYS A 78 67.976 21.042 5.114 1.00 0.00 C ATOM 1274 CE LYS A 78 68.863 19.812 4.993 1.00 0.00 C ATOM 1275 NZ LYS A 78 68.232 18.753 4.158 1.00 0.00 N ATOM 0 H LYS A 78 71.381 24.436 4.471 1.00 0.00 H new ATOM 0 HA LYS A 78 68.855 24.867 5.545 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.464 22.885 4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 78 70.629 22.397 5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.019 21.592 6.907 1.00 0.00 H new ATOM 0 HG3 LYS A 78 67.813 22.756 6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 78 66.998 20.750 5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 78 67.816 21.475 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 78 69.820 20.096 4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 78 69.071 19.415 5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 68.868 17.932 4.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 67.330 18.463 4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 68.057 19.123 3.202 1.00 0.00 H new ATOM 1289 N THR A 79 71.124 24.029 7.798 1.00 0.00 N ATOM 1290 CA THR A 79 71.404 24.017 9.228 1.00 0.00 C ATOM 1291 C THR A 79 71.213 25.401 9.838 1.00 0.00 C ATOM 1292 O THR A 79 70.497 25.562 10.827 1.00 0.00 O ATOM 1293 CB THR A 79 72.839 23.536 9.515 1.00 0.00 C ATOM 1294 OG1 THR A 79 73.127 22.364 8.745 1.00 0.00 O ATOM 1295 CG2 THR A 79 73.023 23.234 10.995 1.00 0.00 C ATOM 0 H THR A 79 71.914 23.762 7.211 1.00 0.00 H new ATOM 0 HA THR A 79 70.697 23.322 9.682 1.00 0.00 H new ATOM 0 HB THR A 79 73.528 24.333 9.234 1.00 0.00 H new ATOM 0 HG1 THR A 79 73.527 22.625 7.889 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.044 22.896 11.173 1.00 0.00 H new ATOM 0 HG22 THR A 79 72.832 24.136 11.577 1.00 0.00 H new ATOM 0 HG23 THR A 79 72.325 22.453 11.297 1.00 0.00 H new ATOM 1303 N LEU A 80 71.856 26.399 9.241 1.00 0.00 N ATOM 1304 CA LEU A 80 71.756 27.772 9.725 1.00 0.00 C ATOM 1305 C LEU A 80 70.303 28.235 9.750 1.00 0.00 C ATOM 1306 O LEU A 80 69.914 29.046 10.591 1.00 0.00 O ATOM 1307 CB LEU A 80 72.586 28.706 8.843 1.00 0.00 C ATOM 1308 CG LEU A 80 71.807 29.528 7.816 1.00 0.00 C ATOM 1309 CD1 LEU A 80 71.237 30.783 8.457 1.00 0.00 C ATOM 1310 CD2 LEU A 80 72.696 29.886 6.634 1.00 0.00 C ATOM 0 H LEU A 80 72.452 26.283 8.421 1.00 0.00 H new ATOM 0 HA LEU A 80 72.146 27.802 10.743 1.00 0.00 H new ATOM 0 HB2 LEU A 80 73.132 29.393 9.489 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.328 28.109 8.313 1.00 0.00 H new ATOM 0 HG LEU A 80 70.977 28.924 7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.686 31.355 7.710 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.565 30.504 9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 80 72.051 31.391 8.852 1.00 0.00 H new ATOM 0 HD21 LEU A 80 72.125 30.471 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.547 30.471 6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.054 28.973 6.158 1.00 0.00 H new ATOM 1322 N VAL A 81 69.504 27.714 8.825 1.00 0.00 N ATOM 1323 CA VAL A 81 68.093 28.071 8.743 1.00 0.00 C ATOM 1324 C VAL A 81 67.325 27.557 9.955 1.00 0.00 C ATOM 1325 O VAL A 81 66.558 28.294 10.576 1.00 0.00 O ATOM 1326 CB VAL A 81 67.446 27.511 7.462 1.00 0.00 C ATOM 1327 CG1 VAL A 81 65.933 27.659 7.520 1.00 0.00 C ATOM 1328 CG2 VAL A 81 68.011 28.205 6.232 1.00 0.00 C ATOM 0 H VAL A 81 69.810 27.042 8.121 1.00 0.00 H new ATOM 0 HA VAL A 81 68.042 29.160 8.720 1.00 0.00 H new ATOM 0 HB VAL A 81 67.681 26.449 7.391 1.00 0.00 H new ATOM 0 HG11 VAL A 81 65.493 27.258 6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 81 65.547 27.112 8.380 1.00 0.00 H new ATOM 0 HG13 VAL A 81 65.674 28.713 7.615 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.543 27.797 5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.808 29.274 6.292 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.088 28.042 6.185 1.00 0.00 H new ATOM 1338 N HIS A 82 67.535 26.287 10.287 1.00 0.00 N ATOM 1339 CA HIS A 82 66.863 25.674 11.426 1.00 0.00 C ATOM 1340 C HIS A 82 67.206 26.407 12.719 1.00 0.00 C ATOM 1341 O HIS A 82 66.330 26.684 13.540 1.00 0.00 O ATOM 1342 CB HIS A 82 67.253 24.200 11.543 1.00 0.00 C ATOM 1343 CG HIS A 82 66.250 23.371 12.285 1.00 0.00 C ATOM 1344 ND1 HIS A 82 66.366 22.006 12.435 1.00 0.00 N ATOM 1345 CD2 HIS A 82 65.110 23.723 12.923 1.00 0.00 C ATOM 1346 CE1 HIS A 82 65.338 21.553 13.131 1.00 0.00 C ATOM 1347 NE2 HIS A 82 64.561 22.575 13.440 1.00 0.00 N ATOM 0 H HIS A 82 68.165 25.663 9.783 1.00 0.00 H new ATOM 0 HA HIS A 82 65.788 25.746 11.263 1.00 0.00 H new ATOM 0 HB2 HIS A 82 67.384 23.787 10.543 1.00 0.00 H new ATOM 0 HB3 HIS A 82 68.217 24.127 12.047 1.00 0.00 H new ATOM 0 HD2 HIS A 82 64.707 24.721 13.010 1.00 0.00 H new ATOM 0 HE1 HIS A 82 65.163 20.522 13.401 1.00 0.00 H new ATOM 0 HE2 HIS A 82 63.694 22.521 13.975 1.00 0.00 H new ATOM 1355 N THR A 83 68.486 26.720 12.895 1.00 0.00 N ATOM 1356 CA THR A 83 68.945 27.419 14.089 1.00 0.00 C ATOM 1357 C THR A 83 68.430 28.854 14.117 1.00 0.00 C ATOM 1358 O THR A 83 68.211 29.423 15.186 1.00 0.00 O ATOM 1359 CB THR A 83 70.483 27.436 14.173 1.00 0.00 C ATOM 1360 OG1 THR A 83 71.000 26.118 13.956 1.00 0.00 O ATOM 1361 CG2 THR A 83 70.945 27.950 15.528 1.00 0.00 C ATOM 0 H THR A 83 69.223 26.500 12.225 1.00 0.00 H new ATOM 0 HA THR A 83 68.548 26.876 14.946 1.00 0.00 H new ATOM 0 HB THR A 83 70.860 28.106 13.400 1.00 0.00 H new ATOM 0 HG1 THR A 83 70.940 25.896 13.003 1.00 0.00 H new ATOM 0 HG21 THR A 83 72.034 27.953 15.564 1.00 0.00 H new ATOM 0 HG22 THR A 83 70.574 28.964 15.678 1.00 0.00 H new ATOM 0 HG23 THR A 83 70.558 27.302 16.314 1.00 0.00 H new ATOM 1369 N ALA A 84 68.239 29.432 12.936 1.00 0.00 N ATOM 1370 CA ALA A 84 67.747 30.800 12.827 1.00 0.00 C ATOM 1371 C ALA A 84 66.231 30.853 12.987 1.00 0.00 C ATOM 1372 O ALA A 84 65.648 31.929 13.112 1.00 0.00 O ATOM 1373 CB ALA A 84 68.160 31.404 11.493 1.00 0.00 C ATOM 0 H ALA A 84 68.417 28.975 12.042 1.00 0.00 H new ATOM 0 HA ALA A 84 68.192 31.385 13.632 1.00 0.00 H new ATOM 0 HB1 ALA A 84 67.786 32.426 11.425 1.00 0.00 H new ATOM 0 HB2 ALA A 84 69.247 31.410 11.417 1.00 0.00 H new ATOM 0 HB3 ALA A 84 67.743 30.810 10.680 1.00 0.00 H new ATOM 1379 N SER A 85 65.599 29.684 12.982 1.00 0.00 N ATOM 1380 CA SER A 85 64.150 29.597 13.122 1.00 0.00 C ATOM 1381 C SER A 85 63.765 29.190 14.541 1.00 0.00 C ATOM 1382 O SER A 85 62.656 29.468 14.999 1.00 0.00 O ATOM 1383 CB SER A 85 63.578 28.594 12.118 1.00 0.00 C ATOM 1384 OG SER A 85 62.192 28.808 11.916 1.00 0.00 O ATOM 0 H SER A 85 66.068 28.784 12.882 1.00 0.00 H new ATOM 0 HA SER A 85 63.730 30.582 12.919 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.105 28.685 11.168 1.00 0.00 H new ATOM 0 HB3 SER A 85 63.744 27.579 12.479 1.00 0.00 H new ATOM 0 HG SER A 85 61.851 28.155 11.269 1.00 0.00 H new ATOM 1390 N ILE A 86 64.688 28.529 15.231 1.00 0.00 N ATOM 1391 CA ILE A 86 64.446 28.083 16.597 1.00 0.00 C ATOM 1392 C ILE A 86 64.733 29.198 17.598 1.00 0.00 C ATOM 1393 O ILE A 86 64.992 30.338 17.214 1.00 0.00 O ATOM 1394 CB ILE A 86 65.309 26.857 16.951 1.00 0.00 C ATOM 1395 CG1 ILE A 86 66.789 27.244 16.996 1.00 0.00 C ATOM 1396 CG2 ILE A 86 65.078 25.739 15.945 1.00 0.00 C ATOM 1397 CD1 ILE A 86 67.704 26.090 17.342 1.00 0.00 C ATOM 0 H ILE A 86 65.610 28.291 14.866 1.00 0.00 H new ATOM 0 HA ILE A 86 63.394 27.806 16.656 1.00 0.00 H new ATOM 0 HB ILE A 86 65.017 26.497 17.938 1.00 0.00 H new ATOM 0 HG12 ILE A 86 67.080 27.650 16.027 1.00 0.00 H new ATOM 0 HG13 ILE A 86 66.926 28.039 17.729 1.00 0.00 H new ATOM 0 HG21 ILE A 86 65.695 24.880 16.208 1.00 0.00 H new ATOM 0 HG22 ILE A 86 64.027 25.449 15.958 1.00 0.00 H new ATOM 0 HG23 ILE A 86 65.346 26.086 14.947 1.00 0.00 H new ATOM 0 HD11 ILE A 86 68.737 26.437 17.356 1.00 0.00 H new ATOM 0 HD12 ILE A 86 67.440 25.698 18.324 1.00 0.00 H new ATOM 0 HD13 ILE A 86 67.595 25.303 16.596 1.00 0.00 H new ATOM 1409 N ALA A 87 64.686 28.860 18.882 1.00 0.00 N ATOM 1410 CA ALA A 87 64.945 29.831 19.938 1.00 0.00 C ATOM 1411 C ALA A 87 66.364 29.692 20.477 1.00 0.00 C ATOM 1412 O ALA A 87 67.017 28.661 20.313 1.00 0.00 O ATOM 1413 CB ALA A 87 63.933 29.670 21.062 1.00 0.00 C ATOM 0 H ALA A 87 64.471 27.921 19.216 1.00 0.00 H new ATOM 0 HA ALA A 87 64.843 30.829 19.512 1.00 0.00 H new ATOM 0 HB1 ALA A 87 64.138 30.401 21.844 1.00 0.00 H new ATOM 0 HB2 ALA A 87 62.928 29.828 20.672 1.00 0.00 H new ATOM 0 HB3 ALA A 87 64.007 28.665 21.477 1.00 0.00 H new ATOM 1419 N PRO A 88 66.856 30.753 21.134 1.00 0.00 N ATOM 1420 CA PRO A 88 68.203 30.772 21.710 1.00 0.00 C ATOM 1421 C PRO A 88 68.334 29.844 22.912 1.00 0.00 C ATOM 1422 O PRO A 88 69.419 29.344 23.206 1.00 0.00 O ATOM 1423 CB PRO A 88 68.385 32.231 22.138 1.00 0.00 C ATOM 1424 CG PRO A 88 67.001 32.735 22.360 1.00 0.00 C ATOM 1425 CD PRO A 88 66.133 32.014 21.366 1.00 0.00 C ATOM 0 HA PRO A 88 68.954 30.424 21.001 1.00 0.00 H new ATOM 0 HB2 PRO A 88 68.984 32.306 23.046 1.00 0.00 H new ATOM 0 HB3 PRO A 88 68.898 32.808 21.369 1.00 0.00 H new ATOM 0 HG2 PRO A 88 66.673 32.537 23.380 1.00 0.00 H new ATOM 0 HG3 PRO A 88 66.950 33.814 22.212 1.00 0.00 H new ATOM 0 HD2 PRO A 88 65.132 31.837 21.760 1.00 0.00 H new ATOM 0 HD3 PRO A 88 66.016 32.586 20.445 1.00 0.00 H new ATOM 1433 N GLN A 89 67.221 29.617 23.603 1.00 0.00 N ATOM 1434 CA GLN A 89 67.212 28.748 24.774 1.00 0.00 C ATOM 1435 C GLN A 89 67.438 27.294 24.374 1.00 0.00 C ATOM 1436 O GLN A 89 67.910 26.487 25.174 1.00 0.00 O ATOM 1437 CB GLN A 89 65.886 28.883 25.525 1.00 0.00 C ATOM 1438 CG GLN A 89 64.670 28.554 24.675 1.00 0.00 C ATOM 1439 CD GLN A 89 63.430 28.294 25.508 1.00 0.00 C ATOM 1440 OE1 GLN A 89 63.480 27.584 26.513 1.00 0.00 O ATOM 1441 NE2 GLN A 89 62.307 28.870 25.094 1.00 0.00 N ATOM 0 H GLN A 89 66.314 30.023 23.372 1.00 0.00 H new ATOM 0 HA GLN A 89 68.026 29.056 25.430 1.00 0.00 H new ATOM 0 HB2 GLN A 89 65.901 28.224 26.393 1.00 0.00 H new ATOM 0 HB3 GLN A 89 65.792 29.902 25.900 1.00 0.00 H new ATOM 0 HG2 GLN A 89 64.476 29.379 23.990 1.00 0.00 H new ATOM 0 HG3 GLN A 89 64.884 27.676 24.065 1.00 0.00 H new ATOM 0 HE21 GLN A 89 62.311 29.451 24.255 1.00 0.00 H new ATOM 0 HE22 GLN A 89 61.441 28.732 25.615 1.00 0.00 H new ATOM 1450 N GLN A 90 67.097 26.967 23.131 1.00 0.00 N ATOM 1451 CA GLN A 90 67.263 25.609 22.627 1.00 0.00 C ATOM 1452 C GLN A 90 68.633 25.432 21.980 1.00 0.00 C ATOM 1453 O GLN A 90 69.208 24.344 22.011 1.00 0.00 O ATOM 1454 CB GLN A 90 66.162 25.281 21.616 1.00 0.00 C ATOM 1455 CG GLN A 90 64.772 25.689 22.076 1.00 0.00 C ATOM 1456 CD GLN A 90 63.683 25.214 21.135 1.00 0.00 C ATOM 1457 OE1 GLN A 90 63.149 25.992 20.343 1.00 0.00 O ATOM 1458 NE2 GLN A 90 63.348 23.932 21.215 1.00 0.00 N ATOM 0 H GLN A 90 66.705 27.623 22.456 1.00 0.00 H new ATOM 0 HA GLN A 90 67.189 24.923 23.471 1.00 0.00 H new ATOM 0 HB2 GLN A 90 66.385 25.781 20.674 1.00 0.00 H new ATOM 0 HB3 GLN A 90 66.170 24.209 21.418 1.00 0.00 H new ATOM 0 HG2 GLN A 90 64.589 25.284 23.071 1.00 0.00 H new ATOM 0 HG3 GLN A 90 64.726 26.775 22.161 1.00 0.00 H new ATOM 0 HE21 GLN A 90 63.817 23.323 21.886 1.00 0.00 H new ATOM 0 HE22 GLN A 90 62.622 23.556 20.605 1.00 0.00 H new ATOM 1467 N ARG A 91 69.149 26.507 21.394 1.00 0.00 N ATOM 1468 CA ARG A 91 70.450 26.470 20.739 1.00 0.00 C ATOM 1469 C ARG A 91 70.823 27.844 20.190 1.00 0.00 C ATOM 1470 O ARG A 91 70.284 28.285 19.175 1.00 0.00 O ATOM 1471 CB ARG A 91 70.445 25.441 19.606 1.00 0.00 C ATOM 1472 CG ARG A 91 71.755 24.683 19.466 1.00 0.00 C ATOM 1473 CD ARG A 91 71.887 23.598 20.524 1.00 0.00 C ATOM 1474 NE ARG A 91 71.285 22.339 20.093 1.00 0.00 N ATOM 1475 CZ ARG A 91 71.347 21.216 20.800 1.00 0.00 C ATOM 1476 NH1 ARG A 91 71.979 21.195 21.965 1.00 0.00 N ATOM 1477 NH2 ARG A 91 70.774 20.110 20.342 1.00 0.00 N ATOM 0 H ARG A 91 68.685 27.415 21.360 1.00 0.00 H new ATOM 0 HA ARG A 91 71.194 26.181 21.481 1.00 0.00 H new ATOM 0 HB2 ARG A 91 69.639 24.728 19.778 1.00 0.00 H new ATOM 0 HB3 ARG A 91 70.227 25.949 18.666 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.813 24.235 18.474 1.00 0.00 H new ATOM 0 HG3 ARG A 91 72.590 25.379 19.551 1.00 0.00 H new ATOM 0 HD2 ARG A 91 72.941 23.438 20.749 1.00 0.00 H new ATOM 0 HD3 ARG A 91 71.411 23.931 21.446 1.00 0.00 H new ATOM 0 HE ARG A 91 70.790 22.321 19.201 1.00 0.00 H new ATOM 0 HH11 ARG A 91 72.420 22.043 22.321 1.00 0.00 H new ATOM 0 HH12 ARG A 91 72.024 20.331 22.505 1.00 0.00 H new ATOM 0 HH21 ARG A 91 70.286 20.122 19.447 1.00 0.00 H new ATOM 0 HH22 ARG A 91 70.822 19.248 20.885 1.00 0.00 H new ATOM 1491 N ARG A 92 71.747 28.516 20.869 1.00 0.00 N ATOM 1492 CA ARG A 92 72.190 29.841 20.451 1.00 0.00 C ATOM 1493 C ARG A 92 72.913 29.774 19.109 1.00 0.00 C ATOM 1494 O ARG A 92 73.545 28.770 18.783 1.00 0.00 O ATOM 1495 CB ARG A 92 73.111 30.451 21.509 1.00 0.00 C ATOM 1496 CG ARG A 92 72.365 31.088 22.671 1.00 0.00 C ATOM 1497 CD ARG A 92 72.113 32.568 22.427 1.00 0.00 C ATOM 1498 NE ARG A 92 71.839 33.288 23.667 1.00 0.00 N ATOM 1499 CZ ARG A 92 71.562 34.586 23.717 1.00 0.00 C ATOM 1500 NH1 ARG A 92 71.521 35.302 22.602 1.00 0.00 N ATOM 1501 NH2 ARG A 92 71.324 35.170 24.885 1.00 0.00 N ATOM 0 H ARG A 92 72.203 28.165 21.711 1.00 0.00 H new ATOM 0 HA ARG A 92 71.309 30.473 20.338 1.00 0.00 H new ATOM 0 HB2 ARG A 92 73.772 29.675 21.894 1.00 0.00 H new ATOM 0 HB3 ARG A 92 73.743 31.203 21.038 1.00 0.00 H new ATOM 0 HG2 ARG A 92 71.414 30.576 22.819 1.00 0.00 H new ATOM 0 HG3 ARG A 92 72.941 30.962 23.588 1.00 0.00 H new ATOM 0 HD2 ARG A 92 72.982 33.008 21.937 1.00 0.00 H new ATOM 0 HD3 ARG A 92 71.270 32.685 21.746 1.00 0.00 H new ATOM 0 HE ARG A 92 71.862 32.766 24.543 1.00 0.00 H new ATOM 0 HH11 ARG A 92 71.702 34.856 21.703 1.00 0.00 H new ATOM 0 HH12 ARG A 92 71.308 36.299 22.643 1.00 0.00 H new ATOM 0 HH21 ARG A 92 71.354 34.622 25.745 1.00 0.00 H new ATOM 0 HH22 ARG A 92 71.111 36.167 24.923 1.00 0.00 H new ATOM 1515 N GLY A 93 72.814 30.850 18.335 1.00 0.00 N ATOM 1516 CA GLY A 93 73.463 30.893 17.038 1.00 0.00 C ATOM 1517 C GLY A 93 74.645 31.841 17.011 1.00 0.00 C ATOM 1518 O GLY A 93 74.760 32.724 17.861 1.00 0.00 O ATOM 0 H GLY A 93 72.296 31.693 18.583 1.00 0.00 H new ATOM 0 HA2 GLY A 93 73.799 29.891 16.770 1.00 0.00 H new ATOM 0 HA3 GLY A 93 72.739 31.199 16.283 1.00 0.00 H new ATOM 1522 N ALA A 94 75.526 31.659 16.033 1.00 0.00 N ATOM 1523 CA ALA A 94 76.705 32.506 15.900 1.00 0.00 C ATOM 1524 C ALA A 94 76.323 33.983 15.905 1.00 0.00 C ATOM 1525 O ALA A 94 75.175 34.353 15.659 1.00 0.00 O ATOM 1526 CB ALA A 94 77.462 32.160 14.626 1.00 0.00 C ATOM 0 H ALA A 94 75.446 30.933 15.321 1.00 0.00 H new ATOM 0 HA ALA A 94 77.353 32.322 16.757 1.00 0.00 H new ATOM 0 HB1 ALA A 94 78.340 32.800 14.539 1.00 0.00 H new ATOM 0 HB2 ALA A 94 77.776 31.117 14.661 1.00 0.00 H new ATOM 0 HB3 ALA A 94 76.813 32.315 13.764 1.00 0.00 H new ATOM 1532 N PRO A 95 77.307 34.848 16.194 1.00 0.00 N ATOM 1533 CA PRO A 95 77.098 36.298 16.239 1.00 0.00 C ATOM 1534 C PRO A 95 76.849 36.891 14.857 1.00 0.00 C ATOM 1535 O PRO A 95 77.738 37.499 14.261 1.00 0.00 O ATOM 1536 CB PRO A 95 78.411 36.828 16.819 1.00 0.00 C ATOM 1537 CG PRO A 95 79.425 35.794 16.469 1.00 0.00 C ATOM 1538 CD PRO A 95 78.699 34.477 16.498 1.00 0.00 C ATOM 0 HA PRO A 95 76.219 36.565 16.825 1.00 0.00 H new ATOM 0 HB2 PRO A 95 78.670 37.797 16.392 1.00 0.00 H new ATOM 0 HB3 PRO A 95 78.341 36.964 17.898 1.00 0.00 H new ATOM 0 HG2 PRO A 95 79.851 35.983 15.484 1.00 0.00 H new ATOM 0 HG3 PRO A 95 80.251 35.800 17.180 1.00 0.00 H new ATOM 0 HD2 PRO A 95 79.100 33.781 15.761 1.00 0.00 H new ATOM 0 HD3 PRO A 95 78.783 33.993 17.471 1.00 0.00 H new ATOM 1546 N VAL A 96 75.632 36.711 14.351 1.00 0.00 N ATOM 1547 CA VAL A 96 75.266 37.230 13.039 1.00 0.00 C ATOM 1548 C VAL A 96 74.070 38.171 13.134 1.00 0.00 C ATOM 1549 O VAL A 96 73.267 38.102 14.065 1.00 0.00 O ATOM 1550 CB VAL A 96 74.931 36.091 12.058 1.00 0.00 C ATOM 1551 CG1 VAL A 96 76.204 35.432 11.550 1.00 0.00 C ATOM 1552 CG2 VAL A 96 74.020 35.069 12.721 1.00 0.00 C ATOM 0 H VAL A 96 74.884 36.210 14.830 1.00 0.00 H new ATOM 0 HA VAL A 96 76.129 37.780 12.665 1.00 0.00 H new ATOM 0 HB VAL A 96 74.404 36.514 11.203 1.00 0.00 H new ATOM 0 HG11 VAL A 96 75.947 34.630 10.858 1.00 0.00 H new ATOM 0 HG12 VAL A 96 76.817 36.172 11.036 1.00 0.00 H new ATOM 0 HG13 VAL A 96 76.762 35.021 12.391 1.00 0.00 H new ATOM 0 HG21 VAL A 96 73.793 34.271 12.014 1.00 0.00 H new ATOM 0 HG22 VAL A 96 74.519 34.649 13.594 1.00 0.00 H new ATOM 0 HG23 VAL A 96 73.094 35.554 13.031 1.00 0.00 H new ATOM 1562 N PRO A 97 73.947 39.073 12.149 1.00 0.00 N ATOM 1563 CA PRO A 97 72.851 40.046 12.099 1.00 0.00 C ATOM 1564 C PRO A 97 71.507 39.390 11.799 1.00 0.00 C ATOM 1565 O PRO A 97 71.453 38.285 11.260 1.00 0.00 O ATOM 1566 CB PRO A 97 73.257 40.979 10.955 1.00 0.00 C ATOM 1567 CG PRO A 97 74.139 40.151 10.086 1.00 0.00 C ATOM 1568 CD PRO A 97 74.867 39.213 11.008 1.00 0.00 C ATOM 0 HA PRO A 97 72.713 40.554 13.053 1.00 0.00 H new ATOM 0 HB2 PRO A 97 72.385 41.337 10.408 1.00 0.00 H new ATOM 0 HB3 PRO A 97 73.782 41.858 11.329 1.00 0.00 H new ATOM 0 HG2 PRO A 97 73.554 39.599 9.350 1.00 0.00 H new ATOM 0 HG3 PRO A 97 74.840 40.776 9.533 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.064 38.253 10.531 1.00 0.00 H new ATOM 0 HD3 PRO A 97 75.830 39.620 11.316 1.00 0.00 H new ATOM 1576 N GLN A 98 70.426 40.078 12.153 1.00 0.00 N ATOM 1577 CA GLN A 98 69.083 39.561 11.922 1.00 0.00 C ATOM 1578 C GLN A 98 68.812 39.396 10.430 1.00 0.00 C ATOM 1579 O GLN A 98 68.071 38.503 10.019 1.00 0.00 O ATOM 1580 CB GLN A 98 68.041 40.494 12.541 1.00 0.00 C ATOM 1581 CG GLN A 98 68.115 41.920 12.020 1.00 0.00 C ATOM 1582 CD GLN A 98 67.186 42.861 12.761 1.00 0.00 C ATOM 1583 OE1 GLN A 98 67.617 43.623 13.627 1.00 0.00 O ATOM 1584 NE2 GLN A 98 65.903 42.813 12.424 1.00 0.00 N ATOM 0 H GLN A 98 70.454 40.994 12.601 1.00 0.00 H new ATOM 0 HA GLN A 98 69.012 38.582 12.396 1.00 0.00 H new ATOM 0 HB2 GLN A 98 67.046 40.095 12.344 1.00 0.00 H new ATOM 0 HB3 GLN A 98 68.172 40.504 13.623 1.00 0.00 H new ATOM 0 HG2 GLN A 98 69.139 42.282 12.108 1.00 0.00 H new ATOM 0 HG3 GLN A 98 67.864 41.929 10.959 1.00 0.00 H new ATOM 0 HE21 GLN A 98 65.590 42.166 11.700 1.00 0.00 H new ATOM 0 HE22 GLN A 98 65.231 43.423 12.889 1.00 0.00 H new ATOM 1593 N GLU A 99 69.418 40.262 9.624 1.00 0.00 N ATOM 1594 CA GLU A 99 69.241 40.212 8.178 1.00 0.00 C ATOM 1595 C GLU A 99 69.590 38.830 7.634 1.00 0.00 C ATOM 1596 O GLU A 99 68.888 38.291 6.778 1.00 0.00 O ATOM 1597 CB GLU A 99 70.108 41.274 7.498 1.00 0.00 C ATOM 1598 CG GLU A 99 71.592 41.124 7.787 1.00 0.00 C ATOM 1599 CD GLU A 99 72.302 42.459 7.901 1.00 0.00 C ATOM 1600 OE1 GLU A 99 71.730 43.386 8.510 1.00 0.00 O ATOM 1601 OE2 GLU A 99 73.431 42.575 7.380 1.00 0.00 O ATOM 0 H GLU A 99 70.036 41.006 9.948 1.00 0.00 H new ATOM 0 HA GLU A 99 68.193 40.415 7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 99 69.949 41.225 6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 99 69.781 42.261 7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 99 71.723 40.567 8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 99 72.055 40.537 6.994 1.00 0.00 H new ATOM 1608 N LEU A 100 70.681 38.262 8.137 1.00 0.00 N ATOM 1609 CA LEU A 100 71.125 36.942 7.703 1.00 0.00 C ATOM 1610 C LEU A 100 70.037 35.898 7.933 1.00 0.00 C ATOM 1611 O LEU A 100 69.760 35.072 7.062 1.00 0.00 O ATOM 1612 CB LEU A 100 72.399 36.540 8.448 1.00 0.00 C ATOM 1613 CG LEU A 100 73.702 36.645 7.654 1.00 0.00 C ATOM 1614 CD1 LEU A 100 73.627 35.801 6.391 1.00 0.00 C ATOM 1615 CD2 LEU A 100 74.003 38.096 7.311 1.00 0.00 C ATOM 0 H LEU A 100 71.274 38.695 8.845 1.00 0.00 H new ATOM 0 HA LEU A 100 71.336 36.990 6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.488 37.163 9.338 1.00 0.00 H new ATOM 0 HB3 LEU A 100 72.287 35.511 8.790 1.00 0.00 H new ATOM 0 HG LEU A 100 74.514 36.264 8.274 1.00 0.00 H new ATOM 0 HD11 LEU A 100 74.563 35.888 5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 100 73.460 34.758 6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 100 72.804 36.151 5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 100 74.934 38.151 6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 100 73.190 38.504 6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 100 74.102 38.674 8.230 1.00 0.00 H new ATOM 1627 N LEU A 101 69.423 35.940 9.110 1.00 0.00 N ATOM 1628 CA LEU A 101 68.363 34.999 9.455 1.00 0.00 C ATOM 1629 C LEU A 101 67.079 35.324 8.698 1.00 0.00 C ATOM 1630 O LEU A 101 66.248 34.448 8.461 1.00 0.00 O ATOM 1631 CB LEU A 101 68.102 35.025 10.962 1.00 0.00 C ATOM 1632 CG LEU A 101 69.308 34.740 11.857 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.323 33.875 11.126 1.00 0.00 C ATOM 1634 CD2 LEU A 101 69.947 36.041 12.320 1.00 0.00 C ATOM 0 H LEU A 101 69.641 36.616 9.842 1.00 0.00 H new ATOM 0 HA LEU A 101 68.689 34.000 9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 101 67.704 36.005 11.225 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.326 34.294 11.189 1.00 0.00 H new ATOM 0 HG LEU A 101 68.964 34.195 12.736 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.174 33.683 11.779 1.00 0.00 H new ATOM 0 HD12 LEU A 101 69.860 32.929 10.845 1.00 0.00 H new ATOM 0 HD13 LEU A 101 70.663 34.393 10.229 1.00 0.00 H new ATOM 0 HD21 LEU A 101 70.804 35.819 12.956 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.277 36.613 11.453 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.218 36.624 12.883 1.00 0.00 H new ATOM 1646 N ASP A 102 66.925 36.589 8.321 1.00 0.00 N ATOM 1647 CA ASP A 102 65.744 37.029 7.588 1.00 0.00 C ATOM 1648 C ASP A 102 65.819 36.598 6.127 1.00 0.00 C ATOM 1649 O ASP A 102 64.814 36.206 5.533 1.00 0.00 O ATOM 1650 CB ASP A 102 65.600 38.549 7.677 1.00 0.00 C ATOM 1651 CG ASP A 102 64.215 39.024 7.283 1.00 0.00 C ATOM 1652 OD1 ASP A 102 63.229 38.359 7.666 1.00 0.00 O ATOM 1653 OD2 ASP A 102 64.117 40.059 6.593 1.00 0.00 O ATOM 0 H ASP A 102 67.603 37.327 8.511 1.00 0.00 H new ATOM 0 HA ASP A 102 64.870 36.561 8.042 1.00 0.00 H new ATOM 0 HB2 ASP A 102 65.816 38.872 8.695 1.00 0.00 H new ATOM 0 HB3 ASP A 102 66.340 39.020 7.030 1.00 0.00 H new ATOM 1658 N ARG A 103 67.015 36.674 5.553 1.00 0.00 N ATOM 1659 CA ARG A 103 67.221 36.294 4.160 1.00 0.00 C ATOM 1660 C ARG A 103 67.141 34.779 3.993 1.00 0.00 C ATOM 1661 O ARG A 103 66.604 34.280 3.004 1.00 0.00 O ATOM 1662 CB ARG A 103 68.576 36.802 3.665 1.00 0.00 C ATOM 1663 CG ARG A 103 69.756 36.259 4.455 1.00 0.00 C ATOM 1664 CD ARG A 103 71.080 36.659 3.824 1.00 0.00 C ATOM 1665 NE ARG A 103 71.559 37.944 4.326 1.00 0.00 N ATOM 1666 CZ ARG A 103 71.245 39.112 3.775 1.00 0.00 C ATOM 1667 NH1 ARG A 103 70.455 39.155 2.711 1.00 0.00 N ATOM 1668 NH2 ARG A 103 71.721 40.239 4.290 1.00 0.00 N ATOM 0 H ARG A 103 67.857 36.995 6.031 1.00 0.00 H new ATOM 0 HA ARG A 103 66.431 36.751 3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 103 68.696 36.530 2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 103 68.587 37.891 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 103 69.712 36.631 5.478 1.00 0.00 H new ATOM 0 HG3 ARG A 103 69.691 35.172 4.508 1.00 0.00 H new ATOM 0 HD2 ARG A 103 71.825 35.890 4.027 1.00 0.00 H new ATOM 0 HD3 ARG A 103 70.964 36.713 2.742 1.00 0.00 H new ATOM 0 HE ARG A 103 72.168 37.945 5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 103 70.087 38.291 2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 103 70.215 40.052 2.290 1.00 0.00 H new ATOM 0 HH21 ARG A 103 72.328 40.209 5.109 1.00 0.00 H new ATOM 0 HH22 ARG A 103 71.480 41.135 3.867 1.00 0.00 H new ATOM 1682 N VAL A 104 67.680 34.052 4.967 1.00 0.00 N ATOM 1683 CA VAL A 104 67.670 32.595 4.928 1.00 0.00 C ATOM 1684 C VAL A 104 66.277 32.047 5.216 1.00 0.00 C ATOM 1685 O VAL A 104 65.842 31.071 4.603 1.00 0.00 O ATOM 1686 CB VAL A 104 68.664 31.999 5.943 1.00 0.00 C ATOM 1687 CG1 VAL A 104 70.071 32.512 5.676 1.00 0.00 C ATOM 1688 CG2 VAL A 104 68.231 32.322 7.365 1.00 0.00 C ATOM 0 H VAL A 104 68.129 34.449 5.793 1.00 0.00 H new ATOM 0 HA VAL A 104 67.971 32.304 3.922 1.00 0.00 H new ATOM 0 HB VAL A 104 68.670 30.915 5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 104 70.760 32.081 6.403 1.00 0.00 H new ATOM 0 HG12 VAL A 104 70.378 32.225 4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 104 70.085 33.598 5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 104 68.944 31.893 8.069 1.00 0.00 H new ATOM 0 HG22 VAL A 104 68.195 33.403 7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 104 67.242 31.901 7.549 1.00 0.00 H new ATOM 1698 N LEU A 105 65.581 32.681 6.154 1.00 0.00 N ATOM 1699 CA LEU A 105 64.235 32.257 6.524 1.00 0.00 C ATOM 1700 C LEU A 105 63.235 32.598 5.424 1.00 0.00 C ATOM 1701 O LEU A 105 62.439 31.755 5.012 1.00 0.00 O ATOM 1702 CB LEU A 105 63.813 32.922 7.836 1.00 0.00 C ATOM 1703 CG LEU A 105 64.402 32.320 9.112 1.00 0.00 C ATOM 1704 CD1 LEU A 105 64.018 33.157 10.323 1.00 0.00 C ATOM 1705 CD2 LEU A 105 63.939 30.882 9.287 1.00 0.00 C ATOM 0 H LEU A 105 65.926 33.489 6.671 1.00 0.00 H new ATOM 0 HA LEU A 105 64.245 31.175 6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 105 64.091 33.975 7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 105 62.726 32.882 7.907 1.00 0.00 H new ATOM 0 HG LEU A 105 65.488 32.322 9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 105 64.446 32.714 11.222 1.00 0.00 H new ATOM 0 HD12 LEU A 105 64.400 34.170 10.201 1.00 0.00 H new ATOM 0 HD13 LEU A 105 62.932 33.187 10.415 1.00 0.00 H new ATOM 0 HD21 LEU A 105 64.368 30.470 10.200 1.00 0.00 H new ATOM 0 HD22 LEU A 105 62.851 30.855 9.353 1.00 0.00 H new ATOM 0 HD23 LEU A 105 64.265 30.288 8.433 1.00 0.00 H new ATOM 1717 N ALA A 106 63.283 33.839 4.951 1.00 0.00 N ATOM 1718 CA ALA A 106 62.385 34.290 3.895 1.00 0.00 C ATOM 1719 C ALA A 106 62.597 33.489 2.615 1.00 0.00 C ATOM 1720 O ALA A 106 61.638 33.067 1.969 1.00 0.00 O ATOM 1721 CB ALA A 106 62.584 35.775 3.631 1.00 0.00 C ATOM 0 H ALA A 106 63.935 34.550 5.283 1.00 0.00 H new ATOM 0 HA ALA A 106 61.360 34.126 4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 106 61.907 36.098 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 106 62.374 36.338 4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 106 63.614 35.955 3.323 1.00 0.00 H new ATOM 1727 N ALA A 107 63.859 33.284 2.253 1.00 0.00 N ATOM 1728 CA ALA A 107 64.196 32.533 1.050 1.00 0.00 C ATOM 1729 C ALA A 107 63.767 31.075 1.175 1.00 0.00 C ATOM 1730 O ALA A 107 63.256 30.485 0.223 1.00 0.00 O ATOM 1731 CB ALA A 107 65.689 32.623 0.773 1.00 0.00 C ATOM 0 H ALA A 107 64.665 33.627 2.776 1.00 0.00 H new ATOM 0 HA ALA A 107 63.655 32.974 0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 107 65.927 32.058 -0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 107 65.971 33.666 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 107 66.241 32.209 1.617 1.00 0.00 H new ATOM 1737 N GLN A 108 63.978 30.499 2.354 1.00 0.00 N ATOM 1738 CA GLN A 108 63.614 29.110 2.602 1.00 0.00 C ATOM 1739 C GLN A 108 62.122 28.889 2.372 1.00 0.00 C ATOM 1740 O GLN A 108 61.724 27.966 1.662 1.00 0.00 O ATOM 1741 CB GLN A 108 63.987 28.709 4.031 1.00 0.00 C ATOM 1742 CG GLN A 108 63.814 27.225 4.311 1.00 0.00 C ATOM 1743 CD GLN A 108 65.009 26.404 3.867 1.00 0.00 C ATOM 1744 OE1 GLN A 108 66.129 26.614 4.334 1.00 0.00 O ATOM 1745 NE2 GLN A 108 64.777 25.463 2.960 1.00 0.00 N ATOM 0 H GLN A 108 64.399 30.973 3.153 1.00 0.00 H new ATOM 0 HA GLN A 108 64.168 28.485 1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 108 65.024 28.987 4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 108 63.373 29.276 4.731 1.00 0.00 H new ATOM 0 HG2 GLN A 108 63.653 27.077 5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 108 62.921 26.865 3.801 1.00 0.00 H new ATOM 0 HE21 GLN A 108 63.833 25.323 2.600 1.00 0.00 H new ATOM 0 HE22 GLN A 108 65.543 24.880 2.623 1.00 0.00 H new ATOM 1754 N ALA A 109 61.303 29.741 2.979 1.00 0.00 N ATOM 1755 CA ALA A 109 59.855 29.640 2.839 1.00 0.00 C ATOM 1756 C ALA A 109 59.410 30.041 1.437 1.00 0.00 C ATOM 1757 O ALA A 109 58.450 29.490 0.898 1.00 0.00 O ATOM 1758 CB ALA A 109 59.162 30.503 3.883 1.00 0.00 C ATOM 0 H ALA A 109 61.617 30.509 3.572 1.00 0.00 H new ATOM 0 HA ALA A 109 59.571 28.600 2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 109 58.082 30.418 3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.447 30.167 4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.460 31.543 3.751 1.00 0.00 H new ATOM 1764 N TYR A 110 60.112 31.005 0.851 1.00 0.00 N ATOM 1765 CA TYR A 110 59.787 31.482 -0.487 1.00 0.00 C ATOM 1766 C TYR A 110 60.016 30.389 -1.526 1.00 0.00 C ATOM 1767 O TYR A 110 59.200 30.192 -2.426 1.00 0.00 O ATOM 1768 CB TYR A 110 60.627 32.713 -0.831 1.00 0.00 C ATOM 1769 CG TYR A 110 59.956 34.022 -0.481 1.00 0.00 C ATOM 1770 CD1 TYR A 110 59.269 34.175 0.717 1.00 0.00 C ATOM 1771 CD2 TYR A 110 60.007 35.106 -1.349 1.00 0.00 C ATOM 1772 CE1 TYR A 110 58.653 35.368 1.040 1.00 0.00 C ATOM 1773 CE2 TYR A 110 59.396 36.303 -1.033 1.00 0.00 C ATOM 1774 CZ TYR A 110 58.720 36.430 0.162 1.00 0.00 C ATOM 1775 OH TYR A 110 58.108 37.621 0.480 1.00 0.00 O ATOM 0 H TYR A 110 60.910 31.471 1.282 1.00 0.00 H new ATOM 0 HA TYR A 110 58.732 31.755 -0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 110 61.580 32.651 -0.305 1.00 0.00 H new ATOM 0 HB3 TYR A 110 60.851 32.703 -1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 110 59.216 33.346 1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 110 60.534 35.010 -2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 110 58.122 35.469 1.975 1.00 0.00 H new ATOM 0 HE2 TYR A 110 59.447 37.136 -1.719 1.00 0.00 H new ATOM 0 HH TYR A 110 58.251 38.266 -0.244 1.00 0.00 H new ATOM 1785 N TRP A 111 61.133 29.682 -1.394 1.00 0.00 N ATOM 1786 CA TRP A 111 61.471 28.608 -2.321 1.00 0.00 C ATOM 1787 C TRP A 111 60.671 27.349 -2.010 1.00 0.00 C ATOM 1788 O TRP A 111 60.541 26.460 -2.852 1.00 0.00 O ATOM 1789 CB TRP A 111 62.969 28.304 -2.257 1.00 0.00 C ATOM 1790 CG TRP A 111 63.824 29.419 -2.779 1.00 0.00 C ATOM 1791 CD1 TRP A 111 64.876 30.013 -2.142 1.00 0.00 C ATOM 1792 CD2 TRP A 111 63.698 30.075 -4.046 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.412 30.998 -2.936 1.00 0.00 N ATOM 1794 CE2 TRP A 111 64.707 31.055 -4.110 1.00 0.00 C ATOM 1795 CE3 TRP A 111 62.832 29.928 -5.133 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 64.871 31.883 -5.217 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 62.996 30.750 -6.231 1.00 0.00 C ATOM 1798 CH2 TRP A 111 64.010 31.717 -6.267 1.00 0.00 C ATOM 0 H TRP A 111 61.819 29.833 -0.655 1.00 0.00 H new ATOM 0 HA TRP A 111 61.217 28.938 -3.328 1.00 0.00 H new ATOM 0 HB2 TRP A 111 63.246 28.096 -1.224 1.00 0.00 H new ATOM 0 HB3 TRP A 111 63.174 27.400 -2.830 1.00 0.00 H new ATOM 0 HD1 TRP A 111 65.234 29.747 -1.158 1.00 0.00 H new ATOM 0 HE1 TRP A 111 66.205 31.590 -2.691 1.00 0.00 H new ATOM 0 HE3 TRP A 111 62.048 29.185 -5.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 65.650 32.630 -5.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 62.332 30.646 -7.076 1.00 0.00 H new ATOM 0 HH2 TRP A 111 64.114 32.343 -7.141 1.00 0.00 H new ATOM 1809 N SER A 112 60.135 27.278 -0.795 1.00 0.00 N ATOM 1810 CA SER A 112 59.350 26.124 -0.372 1.00 0.00 C ATOM 1811 C SER A 112 57.954 26.162 -0.987 1.00 0.00 C ATOM 1812 O SER A 112 57.445 27.228 -1.337 1.00 0.00 O ATOM 1813 CB SER A 112 59.246 26.083 1.153 1.00 0.00 C ATOM 1814 OG SER A 112 58.423 25.011 1.580 1.00 0.00 O ATOM 0 H SER A 112 60.230 28.006 -0.087 1.00 0.00 H new ATOM 0 HA SER A 112 59.857 25.224 -0.719 1.00 0.00 H new ATOM 0 HB2 SER A 112 60.241 25.976 1.586 1.00 0.00 H new ATOM 0 HB3 SER A 112 58.839 27.026 1.518 1.00 0.00 H new ATOM 0 HG SER A 112 58.374 25.006 2.559 1.00 0.00 H new