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 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot -54:sc= 0.858 USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.134 (180deg=-0.65) 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+ -162:sc= -0.135 (180deg=-0.466) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 85:sc= 1.17 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 83 THR OG1 : rot 71:sc= 0.217 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.0668 K(o=-0.067,f=-1.9!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 108 GLN : amide:sc= -1.7! C(o=-1.7!,f=-1.6!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -53:sc= 0.0686 USER MOD ----------------------------------------------------------------- ATOM 526 N PHE A 34 82.279 31.215 11.234 1.00 0.00 N ATOM 527 CA PHE A 34 82.203 31.809 9.905 1.00 0.00 C ATOM 528 C PHE A 34 82.098 33.328 9.993 1.00 0.00 C ATOM 529 O PHE A 34 81.809 33.882 11.054 1.00 0.00 O ATOM 530 CB PHE A 34 81.002 31.247 9.140 1.00 0.00 C ATOM 531 CG PHE A 34 79.810 30.975 10.013 1.00 0.00 C ATOM 532 CD1 PHE A 34 79.335 31.944 10.881 1.00 0.00 C ATOM 533 CD2 PHE A 34 79.165 29.749 9.965 1.00 0.00 C ATOM 534 CE1 PHE A 34 78.238 31.698 11.685 1.00 0.00 C ATOM 535 CE2 PHE A 34 78.067 29.497 10.766 1.00 0.00 C ATOM 536 CZ PHE A 34 77.604 30.472 11.628 1.00 0.00 C ATOM 0 HA PHE A 34 83.118 31.556 9.369 1.00 0.00 H new ATOM 0 HB2 PHE A 34 80.717 31.951 8.359 1.00 0.00 H new ATOM 0 HB3 PHE A 34 81.298 30.323 8.644 1.00 0.00 H new ATOM 0 HD1 PHE A 34 79.828 32.904 10.930 1.00 0.00 H new ATOM 0 HD2 PHE A 34 79.524 28.982 9.294 1.00 0.00 H new ATOM 0 HE1 PHE A 34 77.877 32.463 12.357 1.00 0.00 H new ATOM 0 HE2 PHE A 34 77.572 28.539 10.718 1.00 0.00 H new ATOM 0 HZ PHE A 34 76.748 30.276 12.256 1.00 0.00 H new ATOM 546 N THR A 35 82.335 33.998 8.869 1.00 0.00 N ATOM 547 CA THR A 35 82.269 35.453 8.818 1.00 0.00 C ATOM 548 C THR A 35 80.913 35.925 8.306 1.00 0.00 C ATOM 549 O THR A 35 80.275 35.252 7.496 1.00 0.00 O ATOM 550 CB THR A 35 83.375 36.034 7.917 1.00 0.00 C ATOM 551 OG1 THR A 35 84.577 35.269 8.062 1.00 0.00 O ATOM 552 CG2 THR A 35 83.649 37.489 8.267 1.00 0.00 C ATOM 0 H THR A 35 82.574 33.555 7.982 1.00 0.00 H new ATOM 0 HA THR A 35 82.414 35.811 9.837 1.00 0.00 H new ATOM 0 HB THR A 35 83.035 35.983 6.883 1.00 0.00 H new ATOM 0 HG1 THR A 35 85.275 35.644 7.485 1.00 0.00 H new ATOM 0 HG21 THR A 35 84.433 37.878 7.618 1.00 0.00 H new ATOM 0 HG22 THR A 35 82.740 38.074 8.128 1.00 0.00 H new ATOM 0 HG23 THR A 35 83.970 37.559 9.306 1.00 0.00 H new ATOM 560 N VAL A 36 80.477 37.086 8.784 1.00 0.00 N ATOM 561 CA VAL A 36 79.196 37.649 8.373 1.00 0.00 C ATOM 562 C VAL A 36 79.070 37.676 6.854 1.00 0.00 C ATOM 563 O VAL A 36 78.035 37.307 6.300 1.00 0.00 O ATOM 564 CB VAL A 36 79.010 39.078 8.918 1.00 0.00 C ATOM 565 CG1 VAL A 36 80.215 39.941 8.576 1.00 0.00 C ATOM 566 CG2 VAL A 36 77.730 39.693 8.373 1.00 0.00 C ATOM 0 H VAL A 36 80.992 37.655 9.456 1.00 0.00 H new ATOM 0 HA VAL A 36 78.420 37.006 8.788 1.00 0.00 H new ATOM 0 HB VAL A 36 78.927 39.027 10.004 1.00 0.00 H new ATOM 0 HG11 VAL A 36 80.066 40.947 8.969 1.00 0.00 H new ATOM 0 HG12 VAL A 36 81.111 39.507 9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 36 80.333 39.988 7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 36 77.614 40.702 8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 36 77.780 39.733 7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 36 76.877 39.085 8.675 1.00 0.00 H new ATOM 576 N ALA A 37 80.131 38.117 6.185 1.00 0.00 N ATOM 577 CA ALA A 37 80.140 38.190 4.729 1.00 0.00 C ATOM 578 C ALA A 37 80.201 36.797 4.110 1.00 0.00 C ATOM 579 O ALA A 37 79.495 36.507 3.145 1.00 0.00 O ATOM 580 CB ALA A 37 81.312 39.034 4.251 1.00 0.00 C ATOM 0 H ALA A 37 80.995 38.429 6.628 1.00 0.00 H new ATOM 0 HA ALA A 37 79.211 38.662 4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 37 81.307 39.080 3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 37 81.224 40.042 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 37 82.246 38.586 4.591 1.00 0.00 H new ATOM 586 N GLU A 38 81.049 35.942 4.672 1.00 0.00 N ATOM 587 CA GLU A 38 81.202 34.580 4.172 1.00 0.00 C ATOM 588 C GLU A 38 79.872 33.834 4.210 1.00 0.00 C ATOM 589 O GLU A 38 79.532 33.100 3.282 1.00 0.00 O ATOM 590 CB GLU A 38 82.247 33.825 4.997 1.00 0.00 C ATOM 591 CG GLU A 38 83.657 33.938 4.444 1.00 0.00 C ATOM 592 CD GLU A 38 84.017 35.358 4.050 1.00 0.00 C ATOM 593 OE1 GLU A 38 83.716 35.749 2.903 1.00 0.00 O ATOM 594 OE2 GLU A 38 84.599 36.077 4.888 1.00 0.00 O ATOM 0 H GLU A 38 81.640 36.167 5.472 1.00 0.00 H new ATOM 0 HA GLU A 38 81.538 34.636 3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 38 82.235 34.205 6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.968 32.772 5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 38 84.366 33.581 5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 38 83.756 33.288 3.575 1.00 0.00 H new ATOM 601 N VAL A 39 79.122 34.027 5.290 1.00 0.00 N ATOM 602 CA VAL A 39 77.828 33.374 5.450 1.00 0.00 C ATOM 603 C VAL A 39 76.784 33.990 4.526 1.00 0.00 C ATOM 604 O VAL A 39 75.935 33.288 3.978 1.00 0.00 O ATOM 605 CB VAL A 39 77.329 33.466 6.905 1.00 0.00 C ATOM 606 CG1 VAL A 39 75.938 32.863 7.031 1.00 0.00 C ATOM 607 CG2 VAL A 39 78.305 32.777 7.847 1.00 0.00 C ATOM 0 H VAL A 39 79.388 34.631 6.068 1.00 0.00 H new ATOM 0 HA VAL A 39 77.968 32.325 5.187 1.00 0.00 H new ATOM 0 HB VAL A 39 77.270 34.518 7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.602 32.937 8.065 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.247 33.405 6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 39 75.967 31.815 6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 39 77.937 32.852 8.870 1.00 0.00 H new ATOM 0 HG22 VAL A 39 78.398 31.727 7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 39 79.280 33.258 7.776 1.00 0.00 H new ATOM 617 N GLU A 40 76.853 35.307 4.358 1.00 0.00 N ATOM 618 CA GLU A 40 75.912 36.018 3.500 1.00 0.00 C ATOM 619 C GLU A 40 76.059 35.574 2.047 1.00 0.00 C ATOM 620 O GLU A 40 75.076 35.485 1.311 1.00 0.00 O ATOM 621 CB GLU A 40 76.130 37.528 3.608 1.00 0.00 C ATOM 622 CG GLU A 40 76.799 38.136 2.387 1.00 0.00 C ATOM 623 CD GLU A 40 77.066 39.620 2.545 1.00 0.00 C ATOM 624 OE1 GLU A 40 77.080 40.100 3.699 1.00 0.00 O ATOM 625 OE2 GLU A 40 77.259 40.302 1.518 1.00 0.00 O ATOM 0 H GLU A 40 77.550 35.903 4.804 1.00 0.00 H new ATOM 0 HA GLU A 40 74.902 35.779 3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 40 75.168 38.015 3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.740 37.736 4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 40 77.740 37.620 2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 40 76.167 37.976 1.514 1.00 0.00 H new ATOM 632 N LEU A 41 77.294 35.298 1.641 1.00 0.00 N ATOM 633 CA LEU A 41 77.571 34.864 0.276 1.00 0.00 C ATOM 634 C LEU A 41 77.189 33.401 0.082 1.00 0.00 C ATOM 635 O LEU A 41 76.671 33.017 -0.968 1.00 0.00 O ATOM 636 CB LEU A 41 79.051 35.065 -0.052 1.00 0.00 C ATOM 637 CG LEU A 41 79.607 36.470 0.183 1.00 0.00 C ATOM 638 CD1 LEU A 41 81.037 36.399 0.697 1.00 0.00 C ATOM 639 CD2 LEU A 41 79.538 37.292 -1.095 1.00 0.00 C ATOM 0 H LEU A 41 78.119 35.367 2.237 1.00 0.00 H new ATOM 0 HA LEU A 41 76.969 35.470 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 41 79.633 34.362 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 41 79.209 34.804 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 41 78.994 36.960 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 41 81.416 37.408 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.059 35.848 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 41 81.662 35.890 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 41 79.938 38.289 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 41 80.126 36.805 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 41 78.501 37.372 -1.420 1.00 0.00 H new ATOM 651 N LEU A 42 77.445 32.587 1.101 1.00 0.00 N ATOM 652 CA LEU A 42 77.126 31.165 1.044 1.00 0.00 C ATOM 653 C LEU A 42 75.624 30.950 0.886 1.00 0.00 C ATOM 654 O LEU A 42 75.187 30.074 0.140 1.00 0.00 O ATOM 655 CB LEU A 42 77.624 30.459 2.306 1.00 0.00 C ATOM 656 CG LEU A 42 76.728 29.346 2.850 1.00 0.00 C ATOM 657 CD1 LEU A 42 76.605 28.218 1.838 1.00 0.00 C ATOM 658 CD2 LEU A 42 77.271 28.822 4.172 1.00 0.00 C ATOM 0 H LEU A 42 77.873 32.888 1.977 1.00 0.00 H new ATOM 0 HA LEU A 42 77.629 30.740 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.607 30.037 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 42 77.756 31.207 3.088 1.00 0.00 H new ATOM 0 HG LEU A 42 75.735 29.759 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 42 75.964 27.435 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 42 76.170 28.603 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.593 27.807 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.621 28.030 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.275 28.426 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.307 29.634 4.898 1.00 0.00 H new ATOM 670 N VAL A 43 74.839 31.758 1.592 1.00 0.00 N ATOM 671 CA VAL A 43 73.385 31.658 1.528 1.00 0.00 C ATOM 672 C VAL A 43 72.853 32.222 0.215 1.00 0.00 C ATOM 673 O VAL A 43 71.911 31.685 -0.366 1.00 0.00 O ATOM 674 CB VAL A 43 72.720 32.402 2.701 1.00 0.00 C ATOM 675 CG1 VAL A 43 73.095 31.755 4.025 1.00 0.00 C ATOM 676 CG2 VAL A 43 73.108 33.873 2.687 1.00 0.00 C ATOM 0 H VAL A 43 75.185 32.488 2.214 1.00 0.00 H new ATOM 0 HA VAL A 43 73.137 30.599 1.592 1.00 0.00 H new ATOM 0 HB VAL A 43 71.638 32.334 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 43 72.616 32.294 4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 43 72.761 30.717 4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 43 74.177 31.789 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 43 72.629 34.384 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 43 74.190 33.965 2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 43 72.783 34.326 1.751 1.00 0.00 H new ATOM 686 N GLU A 44 73.465 33.309 -0.247 1.00 0.00 N ATOM 687 CA GLU A 44 73.051 33.946 -1.492 1.00 0.00 C ATOM 688 C GLU A 44 73.258 33.007 -2.678 1.00 0.00 C ATOM 689 O GLU A 44 72.497 33.035 -3.644 1.00 0.00 O ATOM 690 CB GLU A 44 73.834 35.242 -1.711 1.00 0.00 C ATOM 691 CG GLU A 44 74.933 35.121 -2.753 1.00 0.00 C ATOM 692 CD GLU A 44 75.816 36.352 -2.815 1.00 0.00 C ATOM 693 OE1 GLU A 44 75.345 37.440 -2.420 1.00 0.00 O ATOM 694 OE2 GLU A 44 76.977 36.229 -3.259 1.00 0.00 O ATOM 0 H GLU A 44 74.248 33.766 0.221 1.00 0.00 H new ATOM 0 HA GLU A 44 71.989 34.179 -1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 44 73.142 36.028 -2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 44 74.275 35.554 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 44 75.547 34.249 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 44 74.484 34.951 -3.731 1.00 0.00 H new ATOM 701 N ALA A 45 74.293 32.178 -2.595 1.00 0.00 N ATOM 702 CA ALA A 45 74.599 31.231 -3.660 1.00 0.00 C ATOM 703 C ALA A 45 73.496 30.187 -3.800 1.00 0.00 C ATOM 704 O ALA A 45 73.015 29.921 -4.902 1.00 0.00 O ATOM 705 CB ALA A 45 75.937 30.555 -3.397 1.00 0.00 C ATOM 0 H ALA A 45 74.933 32.143 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 45 74.661 31.784 -4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 45 76.153 29.850 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 45 76.723 31.309 -3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 45 75.895 30.021 -2.448 1.00 0.00 H new ATOM 711 N VAL A 46 73.100 29.597 -2.677 1.00 0.00 N ATOM 712 CA VAL A 46 72.053 28.583 -2.674 1.00 0.00 C ATOM 713 C VAL A 46 70.674 29.215 -2.822 1.00 0.00 C ATOM 714 O VAL A 46 69.771 28.626 -3.415 1.00 0.00 O ATOM 715 CB VAL A 46 72.085 27.746 -1.382 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.148 28.651 -0.161 1.00 0.00 C ATOM 717 CG2 VAL A 46 70.875 26.826 -1.312 1.00 0.00 C ATOM 0 H VAL A 46 73.489 29.804 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 46 72.244 27.930 -3.526 1.00 0.00 H new ATOM 0 HB VAL A 46 72.982 27.127 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.170 28.042 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 46 73.049 29.263 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.271 29.297 -0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 46 70.914 26.242 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 46 69.963 27.423 -1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 46 70.880 26.153 -2.169 1.00 0.00 H new ATOM 727 N GLU A 47 70.519 30.419 -2.279 1.00 0.00 N ATOM 728 CA GLU A 47 69.249 31.132 -2.352 1.00 0.00 C ATOM 729 C GLU A 47 68.982 31.625 -3.771 1.00 0.00 C ATOM 730 O GLU A 47 67.879 31.472 -4.296 1.00 0.00 O ATOM 731 CB GLU A 47 69.246 32.314 -1.380 1.00 0.00 C ATOM 732 CG GLU A 47 68.981 31.916 0.062 1.00 0.00 C ATOM 733 CD GLU A 47 68.879 33.112 0.988 1.00 0.00 C ATOM 734 OE1 GLU A 47 68.128 34.055 0.661 1.00 0.00 O ATOM 735 OE2 GLU A 47 69.550 33.105 2.041 1.00 0.00 O ATOM 0 H GLU A 47 71.257 30.920 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 47 68.456 30.439 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 47 70.209 32.822 -1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 47 68.488 33.031 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 47 68.056 31.342 0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 47 69.781 31.261 0.407 1.00 0.00 H new ATOM 742 N HIS A 48 70.000 32.219 -4.386 1.00 0.00 N ATOM 743 CA HIS A 48 69.876 32.736 -5.744 1.00 0.00 C ATOM 744 C HIS A 48 69.291 31.678 -6.676 1.00 0.00 C ATOM 745 O HIS A 48 68.598 32.002 -7.642 1.00 0.00 O ATOM 746 CB HIS A 48 71.238 33.194 -6.265 1.00 0.00 C ATOM 747 CG HIS A 48 71.176 33.849 -7.610 1.00 0.00 C ATOM 748 ND1 HIS A 48 72.173 33.723 -8.555 1.00 0.00 N ATOM 749 CD2 HIS A 48 70.228 34.637 -8.169 1.00 0.00 C ATOM 750 CE1 HIS A 48 71.841 34.408 -9.635 1.00 0.00 C ATOM 751 NE2 HIS A 48 70.665 34.971 -9.427 1.00 0.00 N ATOM 0 H HIS A 48 70.919 32.354 -3.966 1.00 0.00 H new ATOM 0 HA HIS A 48 69.199 33.590 -5.721 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.675 33.891 -5.550 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.905 32.334 -6.320 1.00 0.00 H new ATOM 0 HD2 HIS A 48 69.300 34.946 -7.711 1.00 0.00 H new ATOM 0 HE1 HIS A 48 72.431 34.493 -10.535 1.00 0.00 H new ATOM 0 HE2 HIS A 48 70.163 35.559 -10.093 1.00 0.00 H new ATOM 759 N LEU A 49 69.576 30.415 -6.382 1.00 0.00 N ATOM 760 CA LEU A 49 69.079 29.309 -7.194 1.00 0.00 C ATOM 761 C LEU A 49 67.908 28.613 -6.507 1.00 0.00 C ATOM 762 O LEU A 49 67.169 27.855 -7.135 1.00 0.00 O ATOM 763 CB LEU A 49 70.200 28.303 -7.462 1.00 0.00 C ATOM 764 CG LEU A 49 71.595 28.893 -7.669 1.00 0.00 C ATOM 765 CD1 LEU A 49 72.639 27.788 -7.718 1.00 0.00 C ATOM 766 CD2 LEU A 49 71.638 29.727 -8.941 1.00 0.00 C ATOM 0 H LEU A 49 70.149 30.130 -5.587 1.00 0.00 H new ATOM 0 HA LEU A 49 68.730 29.715 -8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 49 70.243 27.605 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 49 69.937 27.724 -8.347 1.00 0.00 H new ATOM 0 HG LEU A 49 71.823 29.543 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 49 73.626 28.226 -7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 49 72.625 27.233 -6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 49 72.415 27.112 -8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 49 72.639 30.139 -9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 49 71.389 29.099 -9.796 1.00 0.00 H new ATOM 0 HD23 LEU A 49 70.917 30.541 -8.867 1.00 0.00 H new ATOM 778 N GLY A 50 67.744 28.877 -5.214 1.00 0.00 N ATOM 779 CA GLY A 50 66.661 28.269 -4.465 1.00 0.00 C ATOM 780 C GLY A 50 66.878 26.787 -4.230 1.00 0.00 C ATOM 781 O GLY A 50 67.326 26.380 -3.157 1.00 0.00 O ATOM 0 H GLY A 50 68.342 29.501 -4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 50 66.559 28.775 -3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 50 65.724 28.415 -5.003 1.00 0.00 H new ATOM 785 N THR A 51 66.558 25.977 -5.234 1.00 0.00 N ATOM 786 CA THR A 51 66.718 24.532 -5.131 1.00 0.00 C ATOM 787 C THR A 51 67.037 23.916 -6.488 1.00 0.00 C ATOM 788 O THR A 51 66.334 23.020 -6.955 1.00 0.00 O ATOM 789 CB THR A 51 65.450 23.866 -4.563 1.00 0.00 C ATOM 790 OG1 THR A 51 65.613 22.444 -4.538 1.00 0.00 O ATOM 791 CG2 THR A 51 64.229 24.227 -5.395 1.00 0.00 C ATOM 0 H THR A 51 66.186 26.297 -6.128 1.00 0.00 H new ATOM 0 HA THR A 51 67.550 24.354 -4.450 1.00 0.00 H new ATOM 0 HB THR A 51 65.298 24.232 -3.548 1.00 0.00 H new ATOM 0 HG1 THR A 51 65.857 22.127 -5.433 1.00 0.00 H new ATOM 0 HG21 THR A 51 63.347 23.745 -4.974 1.00 0.00 H new ATOM 0 HG22 THR A 51 64.090 25.308 -5.387 1.00 0.00 H new ATOM 0 HG23 THR A 51 64.374 23.887 -6.420 1.00 0.00 H new ATOM 799 N GLY A 52 68.103 24.401 -7.117 1.00 0.00 N ATOM 800 CA GLY A 52 68.497 23.885 -8.415 1.00 0.00 C ATOM 801 C GLY A 52 69.821 23.148 -8.368 1.00 0.00 C ATOM 802 O GLY A 52 69.999 22.229 -7.569 1.00 0.00 O ATOM 0 H GLY A 52 68.701 25.142 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.723 23.213 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.569 24.710 -9.124 1.00 0.00 H new ATOM 806 N ARG A 53 70.751 23.550 -9.228 1.00 0.00 N ATOM 807 CA ARG A 53 72.064 22.918 -9.283 1.00 0.00 C ATOM 808 C ARG A 53 73.009 23.538 -8.258 1.00 0.00 C ATOM 809 O ARG A 53 73.122 24.760 -8.163 1.00 0.00 O ATOM 810 CB ARG A 53 72.659 23.051 -10.686 1.00 0.00 C ATOM 811 CG ARG A 53 71.752 22.520 -11.785 1.00 0.00 C ATOM 812 CD ARG A 53 72.096 23.130 -13.135 1.00 0.00 C ATOM 813 NE ARG A 53 71.469 24.436 -13.320 1.00 0.00 N ATOM 814 CZ ARG A 53 71.572 25.149 -14.436 1.00 0.00 C ATOM 815 NH1 ARG A 53 72.274 24.684 -15.461 1.00 0.00 N ATOM 816 NH2 ARG A 53 70.972 26.329 -14.529 1.00 0.00 N ATOM 0 H ARG A 53 70.620 24.310 -9.896 1.00 0.00 H new ATOM 0 HA ARG A 53 71.941 21.861 -9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 53 72.876 24.101 -10.881 1.00 0.00 H new ATOM 0 HB3 ARG A 53 73.609 22.517 -10.721 1.00 0.00 H new ATOM 0 HG2 ARG A 53 71.843 21.435 -11.841 1.00 0.00 H new ATOM 0 HG3 ARG A 53 70.713 22.740 -11.539 1.00 0.00 H new ATOM 0 HD2 ARG A 53 73.178 23.231 -13.222 1.00 0.00 H new ATOM 0 HD3 ARG A 53 71.774 22.457 -13.930 1.00 0.00 H new ATOM 0 HE ARG A 53 70.922 24.822 -12.550 1.00 0.00 H new ATOM 0 HH11 ARG A 53 72.736 23.777 -15.393 1.00 0.00 H new ATOM 0 HH12 ARG A 53 72.352 25.233 -16.317 1.00 0.00 H new ATOM 0 HH21 ARG A 53 70.431 26.689 -13.743 1.00 0.00 H new ATOM 0 HH22 ARG A 53 71.052 26.876 -15.386 1.00 0.00 H new ATOM 830 N TRP A 54 73.683 22.687 -7.493 1.00 0.00 N ATOM 831 CA TRP A 54 74.618 23.152 -6.474 1.00 0.00 C ATOM 832 C TRP A 54 75.879 23.725 -7.113 1.00 0.00 C ATOM 833 O TRP A 54 76.575 24.541 -6.509 1.00 0.00 O ATOM 834 CB TRP A 54 74.986 22.006 -5.530 1.00 0.00 C ATOM 835 CG TRP A 54 73.804 21.194 -5.093 1.00 0.00 C ATOM 836 CD1 TRP A 54 72.674 21.656 -4.481 1.00 0.00 C ATOM 837 CD2 TRP A 54 73.638 19.779 -5.232 1.00 0.00 C ATOM 838 NE1 TRP A 54 71.814 20.613 -4.232 1.00 0.00 N ATOM 839 CE2 TRP A 54 72.382 19.452 -4.684 1.00 0.00 C ATOM 840 CE3 TRP A 54 74.426 18.758 -5.769 1.00 0.00 C ATOM 841 CZ2 TRP A 54 71.900 18.146 -4.657 1.00 0.00 C ATOM 842 CZ3 TRP A 54 73.946 17.462 -5.741 1.00 0.00 C ATOM 843 CH2 TRP A 54 72.693 17.165 -5.189 1.00 0.00 C ATOM 0 H TRP A 54 73.600 21.672 -7.558 1.00 0.00 H new ATOM 0 HA TRP A 54 74.131 23.942 -5.903 1.00 0.00 H new ATOM 0 HB2 TRP A 54 75.704 21.352 -6.026 1.00 0.00 H new ATOM 0 HB3 TRP A 54 75.482 22.415 -4.650 1.00 0.00 H new ATOM 0 HD1 TRP A 54 72.484 22.689 -4.230 1.00 0.00 H new ATOM 0 HE1 TRP A 54 70.901 20.691 -3.783 1.00 0.00 H new ATOM 0 HE3 TRP A 54 75.393 18.977 -6.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 70.935 17.915 -4.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 74.547 16.664 -6.152 1.00 0.00 H new ATOM 0 HH2 TRP A 54 72.346 16.142 -5.183 1.00 0.00 H new ATOM 854 N ARG A 55 76.166 23.293 -8.337 1.00 0.00 N ATOM 855 CA ARG A 55 77.344 23.763 -9.056 1.00 0.00 C ATOM 856 C ARG A 55 77.339 25.285 -9.171 1.00 0.00 C ATOM 857 O ARG A 55 78.367 25.935 -8.983 1.00 0.00 O ATOM 858 CB ARG A 55 77.400 23.136 -10.450 1.00 0.00 C ATOM 859 CG ARG A 55 76.174 23.427 -11.299 1.00 0.00 C ATOM 860 CD ARG A 55 75.929 22.327 -12.320 1.00 0.00 C ATOM 861 NE ARG A 55 77.070 22.144 -13.212 1.00 0.00 N ATOM 862 CZ ARG A 55 77.042 21.372 -14.293 1.00 0.00 C ATOM 863 NH1 ARG A 55 75.936 20.714 -14.613 1.00 0.00 N ATOM 864 NH2 ARG A 55 78.122 21.257 -15.056 1.00 0.00 N ATOM 0 H ARG A 55 75.599 22.619 -8.851 1.00 0.00 H new ATOM 0 HA ARG A 55 78.227 23.461 -8.493 1.00 0.00 H new ATOM 0 HB2 ARG A 55 78.286 23.503 -10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.514 22.057 -10.349 1.00 0.00 H new ATOM 0 HG2 ARG A 55 75.300 23.529 -10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.304 24.379 -11.813 1.00 0.00 H new ATOM 0 HD2 ARG A 55 75.721 21.391 -11.801 1.00 0.00 H new ATOM 0 HD3 ARG A 55 75.044 22.569 -12.908 1.00 0.00 H new ATOM 0 HE ARG A 55 77.936 22.636 -12.993 1.00 0.00 H new ATOM 0 HH11 ARG A 55 75.104 20.800 -14.029 1.00 0.00 H new ATOM 0 HH12 ARG A 55 75.917 20.122 -15.443 1.00 0.00 H new ATOM 0 HH21 ARG A 55 78.974 21.762 -14.813 1.00 0.00 H new ATOM 0 HH22 ARG A 55 78.100 20.664 -15.886 1.00 0.00 H new ATOM 878 N ASP A 56 76.176 25.846 -9.482 1.00 0.00 N ATOM 879 CA ASP A 56 76.036 27.291 -9.622 1.00 0.00 C ATOM 880 C ASP A 56 76.256 27.990 -8.283 1.00 0.00 C ATOM 881 O ASP A 56 76.671 29.148 -8.237 1.00 0.00 O ATOM 882 CB ASP A 56 74.654 27.640 -10.173 1.00 0.00 C ATOM 883 CG ASP A 56 74.693 28.010 -11.643 1.00 0.00 C ATOM 884 OD1 ASP A 56 75.000 27.126 -12.470 1.00 0.00 O ATOM 885 OD2 ASP A 56 74.417 29.184 -11.966 1.00 0.00 O ATOM 0 H ASP A 56 75.316 25.322 -9.642 1.00 0.00 H new ATOM 0 HA ASP A 56 76.795 27.639 -10.322 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.985 26.791 -10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 56 74.238 28.471 -9.603 1.00 0.00 H new ATOM 890 N VAL A 57 75.972 27.279 -7.197 1.00 0.00 N ATOM 891 CA VAL A 57 76.138 27.830 -5.857 1.00 0.00 C ATOM 892 C VAL A 57 77.612 28.036 -5.526 1.00 0.00 C ATOM 893 O VAL A 57 78.018 29.113 -5.088 1.00 0.00 O ATOM 894 CB VAL A 57 75.507 26.916 -4.791 1.00 0.00 C ATOM 895 CG1 VAL A 57 75.749 27.474 -3.397 1.00 0.00 C ATOM 896 CG2 VAL A 57 74.018 26.741 -5.054 1.00 0.00 C ATOM 0 H VAL A 57 75.626 26.320 -7.219 1.00 0.00 H new ATOM 0 HA VAL A 57 75.628 28.793 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 57 75.981 25.936 -4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 57 75.296 26.814 -2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 57 76.821 27.542 -3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 57 75.304 28.466 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 57 73.588 26.092 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 57 73.526 27.713 -5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 57 73.872 26.292 -6.037 1.00 0.00 H new ATOM 906 N LYS A 58 78.411 26.996 -5.739 1.00 0.00 N ATOM 907 CA LYS A 58 79.842 27.061 -5.465 1.00 0.00 C ATOM 908 C LYS A 58 80.529 28.054 -6.397 1.00 0.00 C ATOM 909 O LYS A 58 81.490 28.720 -6.010 1.00 0.00 O ATOM 910 CB LYS A 58 80.475 25.677 -5.621 1.00 0.00 C ATOM 911 CG LYS A 58 81.915 25.609 -5.141 1.00 0.00 C ATOM 912 CD LYS A 58 82.517 24.234 -5.375 1.00 0.00 C ATOM 913 CE LYS A 58 82.788 23.988 -6.852 1.00 0.00 C ATOM 914 NZ LYS A 58 83.717 25.002 -7.421 1.00 0.00 N ATOM 0 H LYS A 58 78.092 26.097 -6.101 1.00 0.00 H new ATOM 0 HA LYS A 58 79.975 27.401 -4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.881 24.951 -5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.436 25.385 -6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 58 82.509 26.360 -5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.957 25.849 -4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 58 83.447 24.142 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 58 81.839 23.469 -4.996 1.00 0.00 H new ATOM 0 HE2 LYS A 58 83.213 22.993 -6.983 1.00 0.00 H new ATOM 0 HE3 LYS A 58 81.847 24.008 -7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 84.154 24.626 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 83.188 25.868 -7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 84.459 25.222 -6.726 1.00 0.00 H new ATOM 928 N PHE A 59 80.030 28.149 -7.625 1.00 0.00 N ATOM 929 CA PHE A 59 80.597 29.062 -8.611 1.00 0.00 C ATOM 930 C PHE A 59 80.166 30.499 -8.333 1.00 0.00 C ATOM 931 O PHE A 59 80.981 31.421 -8.370 1.00 0.00 O ATOM 932 CB PHE A 59 80.167 28.652 -10.022 1.00 0.00 C ATOM 933 CG PHE A 59 80.920 27.469 -10.558 1.00 0.00 C ATOM 934 CD1 PHE A 59 82.303 27.417 -10.479 1.00 0.00 C ATOM 935 CD2 PHE A 59 80.246 26.408 -11.142 1.00 0.00 C ATOM 936 CE1 PHE A 59 82.999 26.330 -10.971 1.00 0.00 C ATOM 937 CE2 PHE A 59 80.937 25.318 -11.635 1.00 0.00 C ATOM 938 CZ PHE A 59 82.315 25.279 -11.551 1.00 0.00 C ATOM 0 H PHE A 59 79.235 27.606 -7.961 1.00 0.00 H new ATOM 0 HA PHE A 59 81.683 29.007 -8.539 1.00 0.00 H new ATOM 0 HB2 PHE A 59 79.102 28.422 -10.016 1.00 0.00 H new ATOM 0 HB3 PHE A 59 80.307 29.497 -10.696 1.00 0.00 H new ATOM 0 HD1 PHE A 59 82.843 28.236 -10.027 1.00 0.00 H new ATOM 0 HD2 PHE A 59 79.169 26.434 -11.212 1.00 0.00 H new ATOM 0 HE1 PHE A 59 84.076 26.302 -10.902 1.00 0.00 H new ATOM 0 HE2 PHE A 59 80.400 24.497 -12.086 1.00 0.00 H new ATOM 0 HZ PHE A 59 82.857 24.429 -11.938 1.00 0.00 H new ATOM 948 N ARG A 60 78.879 30.681 -8.055 1.00 0.00 N ATOM 949 CA ARG A 60 78.338 32.005 -7.773 1.00 0.00 C ATOM 950 C ARG A 60 78.871 32.539 -6.446 1.00 0.00 C ATOM 951 O ARG A 60 79.189 33.721 -6.324 1.00 0.00 O ATOM 952 CB ARG A 60 76.809 31.959 -7.739 1.00 0.00 C ATOM 953 CG ARG A 60 76.161 33.328 -7.618 1.00 0.00 C ATOM 954 CD ARG A 60 75.979 33.981 -8.979 1.00 0.00 C ATOM 955 NE ARG A 60 77.091 34.867 -9.314 1.00 0.00 N ATOM 956 CZ ARG A 60 77.164 35.560 -10.445 1.00 0.00 C ATOM 957 NH1 ARG A 60 76.194 35.470 -11.344 1.00 0.00 N ATOM 958 NH2 ARG A 60 78.208 36.345 -10.677 1.00 0.00 N ATOM 0 H ARG A 60 78.192 29.928 -8.019 1.00 0.00 H new ATOM 0 HA ARG A 60 78.657 32.677 -8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 60 76.448 31.475 -8.646 1.00 0.00 H new ATOM 0 HB3 ARG A 60 76.491 31.341 -6.900 1.00 0.00 H new ATOM 0 HG2 ARG A 60 75.192 33.231 -7.127 1.00 0.00 H new ATOM 0 HG3 ARG A 60 76.776 33.968 -6.986 1.00 0.00 H new ATOM 0 HD2 ARG A 60 75.888 33.208 -9.743 1.00 0.00 H new ATOM 0 HD3 ARG A 60 75.048 34.548 -8.987 1.00 0.00 H new ATOM 0 HE ARG A 60 77.853 34.959 -8.643 1.00 0.00 H new ATOM 0 HH11 ARG A 60 75.390 34.868 -11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 60 76.252 36.003 -12.212 1.00 0.00 H new ATOM 0 HH21 ARG A 60 78.955 36.417 -9.987 1.00 0.00 H new ATOM 0 HH22 ARG A 60 78.263 36.877 -11.546 1.00 0.00 H new ATOM 972 N ALA A 61 78.966 31.658 -5.455 1.00 0.00 N ATOM 973 CA ALA A 61 79.461 32.039 -4.139 1.00 0.00 C ATOM 974 C ALA A 61 80.868 32.620 -4.229 1.00 0.00 C ATOM 975 O ALA A 61 81.068 33.822 -4.049 1.00 0.00 O ATOM 976 CB ALA A 61 79.442 30.842 -3.200 1.00 0.00 C ATOM 0 H ALA A 61 78.706 30.675 -5.540 1.00 0.00 H new ATOM 0 HA ALA A 61 78.802 32.810 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 61 79.815 31.142 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.421 30.472 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 61 80.077 30.053 -3.603 1.00 0.00 H new ATOM 982 N PHE A 62 81.842 31.760 -4.508 1.00 0.00 N ATOM 983 CA PHE A 62 83.232 32.188 -4.621 1.00 0.00 C ATOM 984 C PHE A 62 84.124 31.030 -5.058 1.00 0.00 C ATOM 985 O PHE A 62 84.556 30.222 -4.236 1.00 0.00 O ATOM 986 CB PHE A 62 83.724 32.750 -3.286 1.00 0.00 C ATOM 987 CG PHE A 62 83.810 34.249 -3.262 1.00 0.00 C ATOM 988 CD1 PHE A 62 84.625 34.924 -4.156 1.00 0.00 C ATOM 989 CD2 PHE A 62 83.076 34.984 -2.345 1.00 0.00 C ATOM 990 CE1 PHE A 62 84.707 36.303 -4.136 1.00 0.00 C ATOM 991 CE2 PHE A 62 83.153 36.364 -2.320 1.00 0.00 C ATOM 992 CZ PHE A 62 83.969 37.024 -3.217 1.00 0.00 C ATOM 0 H PHE A 62 81.695 30.762 -4.660 1.00 0.00 H new ATOM 0 HA PHE A 62 83.285 32.970 -5.379 1.00 0.00 H new ATOM 0 HB2 PHE A 62 83.053 32.420 -2.493 1.00 0.00 H new ATOM 0 HB3 PHE A 62 84.707 32.334 -3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.203 34.366 -4.877 1.00 0.00 H new ATOM 0 HD2 PHE A 62 82.436 34.473 -1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 62 85.347 36.817 -4.838 1.00 0.00 H new ATOM 0 HE2 PHE A 62 82.576 36.925 -1.600 1.00 0.00 H new ATOM 0 HZ PHE A 62 84.030 38.102 -3.200 1.00 0.00 H new ATOM 1002 N GLU A 63 84.394 30.956 -6.357 1.00 0.00 N ATOM 1003 CA GLU A 63 85.233 29.896 -6.904 1.00 0.00 C ATOM 1004 C GLU A 63 86.525 29.759 -6.104 1.00 0.00 C ATOM 1005 O GLU A 63 87.378 30.645 -6.126 1.00 0.00 O ATOM 1006 CB GLU A 63 85.557 30.178 -8.373 1.00 0.00 C ATOM 1007 CG GLU A 63 86.611 29.249 -8.952 1.00 0.00 C ATOM 1008 CD GLU A 63 86.882 29.519 -10.420 1.00 0.00 C ATOM 1009 OE1 GLU A 63 87.148 30.688 -10.768 1.00 0.00 O ATOM 1010 OE2 GLU A 63 86.828 28.561 -11.219 1.00 0.00 O ATOM 0 H GLU A 63 84.044 31.617 -7.050 1.00 0.00 H new ATOM 0 HA GLU A 63 84.681 28.958 -6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.644 30.089 -8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.900 31.208 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 63 87.537 29.360 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 63 86.286 28.216 -8.830 1.00 0.00 H new ATOM 1081 N ARG A 68 86.367 24.443 -0.574 1.00 0.00 N ATOM 1082 CA ARG A 68 85.028 24.022 -0.181 1.00 0.00 C ATOM 1083 C ARG A 68 84.348 23.250 -1.309 1.00 0.00 C ATOM 1084 O ARG A 68 84.898 23.113 -2.402 1.00 0.00 O ATOM 1085 CB ARG A 68 84.180 25.236 0.203 1.00 0.00 C ATOM 1086 CG ARG A 68 83.357 25.029 1.464 1.00 0.00 C ATOM 1087 CD ARG A 68 84.238 24.973 2.702 1.00 0.00 C ATOM 1088 NE ARG A 68 84.407 23.608 3.193 1.00 0.00 N ATOM 1089 CZ ARG A 68 84.831 23.315 4.418 1.00 0.00 C ATOM 1090 NH1 ARG A 68 85.127 24.286 5.271 1.00 0.00 N ATOM 1091 NH2 ARG A 68 84.958 22.048 4.791 1.00 0.00 N ATOM 0 HA ARG A 68 85.121 23.364 0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 68 84.835 26.096 0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 68 83.510 25.477 -0.623 1.00 0.00 H new ATOM 0 HG2 ARG A 68 82.636 25.840 1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 68 82.787 24.104 1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 68 85.215 25.399 2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 68 83.799 25.589 3.487 1.00 0.00 H new ATOM 0 HE ARG A 68 84.188 22.838 2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 68 85.030 25.261 4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 68 85.452 24.058 6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 68 84.730 21.299 4.138 1.00 0.00 H new ATOM 0 HH22 ARG A 68 85.283 21.823 5.731 1.00 0.00 H new ATOM 1105 N THR A 69 83.149 22.746 -1.035 1.00 0.00 N ATOM 1106 CA THR A 69 82.394 21.987 -2.024 1.00 0.00 C ATOM 1107 C THR A 69 80.938 22.435 -2.068 1.00 0.00 C ATOM 1108 O THR A 69 80.370 22.834 -1.051 1.00 0.00 O ATOM 1109 CB THR A 69 82.446 20.475 -1.732 1.00 0.00 C ATOM 1110 OG1 THR A 69 83.765 20.101 -1.318 1.00 0.00 O ATOM 1111 CG2 THR A 69 82.047 19.672 -2.961 1.00 0.00 C ATOM 0 H THR A 69 82.680 22.850 -0.135 1.00 0.00 H new ATOM 0 HA THR A 69 82.859 22.179 -2.991 1.00 0.00 H new ATOM 0 HB THR A 69 81.739 20.258 -0.931 1.00 0.00 H new ATOM 0 HG1 THR A 69 83.789 19.139 -1.133 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.091 18.608 -2.730 1.00 0.00 H new ATOM 0 HG22 THR A 69 81.032 19.938 -3.255 1.00 0.00 H new ATOM 0 HG23 THR A 69 82.732 19.895 -3.779 1.00 0.00 H new ATOM 1119 N TYR A 70 80.338 22.366 -3.251 1.00 0.00 N ATOM 1120 CA TYR A 70 78.947 22.767 -3.427 1.00 0.00 C ATOM 1121 C TYR A 70 78.052 22.099 -2.388 1.00 0.00 C ATOM 1122 O TYR A 70 77.142 22.723 -1.842 1.00 0.00 O ATOM 1123 CB TYR A 70 78.467 22.410 -4.835 1.00 0.00 C ATOM 1124 CG TYR A 70 78.648 20.951 -5.186 1.00 0.00 C ATOM 1125 CD1 TYR A 70 79.831 20.495 -5.754 1.00 0.00 C ATOM 1126 CD2 TYR A 70 77.637 20.028 -4.947 1.00 0.00 C ATOM 1127 CE1 TYR A 70 80.001 19.162 -6.077 1.00 0.00 C ATOM 1128 CE2 TYR A 70 77.799 18.693 -5.265 1.00 0.00 C ATOM 1129 CZ TYR A 70 78.982 18.265 -5.830 1.00 0.00 C ATOM 1130 OH TYR A 70 79.148 16.937 -6.149 1.00 0.00 O ATOM 0 H TYR A 70 80.793 22.036 -4.102 1.00 0.00 H new ATOM 0 HA TYR A 70 78.886 23.847 -3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 70 77.412 22.669 -4.926 1.00 0.00 H new ATOM 0 HB3 TYR A 70 79.008 23.019 -5.559 1.00 0.00 H new ATOM 0 HD1 TYR A 70 80.631 21.194 -5.946 1.00 0.00 H new ATOM 0 HD2 TYR A 70 76.709 20.360 -4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 70 80.926 18.824 -6.520 1.00 0.00 H new ATOM 0 HE2 TYR A 70 77.003 17.989 -5.072 1.00 0.00 H new ATOM 0 HH TYR A 70 78.338 16.440 -5.911 1.00 0.00 H new ATOM 1140 N VAL A 71 78.318 20.825 -2.118 1.00 0.00 N ATOM 1141 CA VAL A 71 77.539 20.071 -1.143 1.00 0.00 C ATOM 1142 C VAL A 71 77.682 20.666 0.253 1.00 0.00 C ATOM 1143 O VAL A 71 76.727 20.689 1.030 1.00 0.00 O ATOM 1144 CB VAL A 71 77.968 18.592 -1.105 1.00 0.00 C ATOM 1145 CG1 VAL A 71 79.441 18.472 -0.748 1.00 0.00 C ATOM 1146 CG2 VAL A 71 77.107 17.814 -0.122 1.00 0.00 C ATOM 0 H VAL A 71 79.067 20.293 -2.561 1.00 0.00 H new ATOM 0 HA VAL A 71 76.497 20.132 -1.456 1.00 0.00 H new ATOM 0 HB VAL A 71 77.824 18.164 -2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 71 79.726 17.420 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 71 80.040 18.994 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 71 79.615 18.915 0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 71 77.423 16.771 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 71 77.217 18.241 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 71 76.062 17.872 -0.428 1.00 0.00 H new ATOM 1156 N ASP A 72 78.880 21.148 0.565 1.00 0.00 N ATOM 1157 CA ASP A 72 79.149 21.745 1.868 1.00 0.00 C ATOM 1158 C ASP A 72 78.374 23.049 2.038 1.00 0.00 C ATOM 1159 O ASP A 72 77.887 23.357 3.126 1.00 0.00 O ATOM 1160 CB ASP A 72 80.647 22.002 2.036 1.00 0.00 C ATOM 1161 CG ASP A 72 81.451 20.718 2.101 1.00 0.00 C ATOM 1162 OD1 ASP A 72 80.849 19.654 2.355 1.00 0.00 O ATOM 1163 OD2 ASP A 72 82.682 20.778 1.900 1.00 0.00 O ATOM 0 H ASP A 72 79.681 21.137 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 72 78.821 21.045 2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 72 81.004 22.609 1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 72 80.814 22.578 2.946 1.00 0.00 H new ATOM 1168 N LEU A 73 78.265 23.811 0.955 1.00 0.00 N ATOM 1169 CA LEU A 73 77.551 25.083 0.984 1.00 0.00 C ATOM 1170 C LEU A 73 76.063 24.866 1.239 1.00 0.00 C ATOM 1171 O LEU A 73 75.459 25.543 2.071 1.00 0.00 O ATOM 1172 CB LEU A 73 77.750 25.832 -0.334 1.00 0.00 C ATOM 1173 CG LEU A 73 79.186 25.906 -0.854 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.294 26.921 -1.981 1.00 0.00 C ATOM 1175 CD2 LEU A 73 80.144 26.256 0.275 1.00 0.00 C ATOM 0 H LEU A 73 78.662 23.570 0.047 1.00 0.00 H new ATOM 0 HA LEU A 73 77.957 25.681 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.133 25.356 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 73 77.377 26.849 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 73 79.461 24.927 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 73 80.323 26.960 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.637 26.627 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.000 27.904 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 73 81.161 26.304 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.870 27.223 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 73 80.087 25.492 1.050 1.00 0.00 H new ATOM 1187 N LYS A 74 75.477 23.915 0.519 1.00 0.00 N ATOM 1188 CA LYS A 74 74.060 23.604 0.669 1.00 0.00 C ATOM 1189 C LYS A 74 73.754 23.128 2.086 1.00 0.00 C ATOM 1190 O LYS A 74 72.783 23.567 2.702 1.00 0.00 O ATOM 1191 CB LYS A 74 73.642 22.534 -0.342 1.00 0.00 C ATOM 1192 CG LYS A 74 72.167 22.176 -0.273 1.00 0.00 C ATOM 1193 CD LYS A 74 71.287 23.370 -0.602 1.00 0.00 C ATOM 1194 CE LYS A 74 69.819 22.979 -0.671 1.00 0.00 C ATOM 1195 NZ LYS A 74 69.577 21.909 -1.678 1.00 0.00 N ATOM 0 H LYS A 74 75.962 23.346 -0.175 1.00 0.00 H new ATOM 0 HA LYS A 74 73.492 24.515 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 74 73.876 22.885 -1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 74 74.234 21.635 -0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 74 71.956 21.364 -0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 74 71.927 21.810 0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 74 71.423 24.143 0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 74 71.595 23.799 -1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 74 69.488 22.637 0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 74 69.221 23.855 -0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 68.566 21.881 -1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 70.131 22.107 -2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 69.865 20.990 -1.285 1.00 0.00 H new ATOM 1209 N ASP A 75 74.589 22.229 2.596 1.00 0.00 N ATOM 1210 CA ASP A 75 74.409 21.695 3.941 1.00 0.00 C ATOM 1211 C ASP A 75 74.571 22.793 4.987 1.00 0.00 C ATOM 1212 O ASP A 75 73.868 22.812 5.998 1.00 0.00 O ATOM 1213 CB ASP A 75 75.410 20.570 4.204 1.00 0.00 C ATOM 1214 CG ASP A 75 74.892 19.556 5.205 1.00 0.00 C ATOM 1215 OD1 ASP A 75 73.678 19.262 5.178 1.00 0.00 O ATOM 1216 OD2 ASP A 75 75.700 19.055 6.014 1.00 0.00 O ATOM 0 H ASP A 75 75.397 21.855 2.098 1.00 0.00 H new ATOM 0 HA ASP A 75 73.398 21.295 4.015 1.00 0.00 H new ATOM 0 HB2 ASP A 75 75.640 20.065 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 75 76.343 20.997 4.573 1.00 0.00 H new ATOM 1221 N LYS A 76 75.504 23.706 4.739 1.00 0.00 N ATOM 1222 CA LYS A 76 75.761 24.808 5.659 1.00 0.00 C ATOM 1223 C LYS A 76 74.542 25.719 5.770 1.00 0.00 C ATOM 1224 O LYS A 76 74.198 26.181 6.858 1.00 0.00 O ATOM 1225 CB LYS A 76 76.974 25.616 5.194 1.00 0.00 C ATOM 1226 CG LYS A 76 78.304 25.003 5.595 1.00 0.00 C ATOM 1227 CD LYS A 76 78.783 25.536 6.935 1.00 0.00 C ATOM 1228 CE LYS A 76 78.177 24.759 8.093 1.00 0.00 C ATOM 1229 NZ LYS A 76 79.014 24.852 9.322 1.00 0.00 N ATOM 0 H LYS A 76 76.095 23.705 3.908 1.00 0.00 H new ATOM 0 HA LYS A 76 75.969 24.386 6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 76 76.941 25.713 4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.909 26.623 5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 76 78.204 23.919 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 76 79.050 25.217 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 76 79.870 25.475 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 76 78.518 26.590 7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 76 77.178 25.142 8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 76 78.064 23.713 7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 78.567 24.309 10.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 79.959 24.464 9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 79.101 25.848 9.608 1.00 0.00 H new ATOM 1243 N TRP A 77 73.894 25.972 4.638 1.00 0.00 N ATOM 1244 CA TRP A 77 72.713 26.827 4.609 1.00 0.00 C ATOM 1245 C TRP A 77 71.551 26.175 5.351 1.00 0.00 C ATOM 1246 O TRP A 77 70.845 26.830 6.119 1.00 0.00 O ATOM 1247 CB TRP A 77 72.309 27.125 3.165 1.00 0.00 C ATOM 1248 CG TRP A 77 70.924 27.684 3.038 1.00 0.00 C ATOM 1249 CD1 TRP A 77 70.555 28.994 3.158 1.00 0.00 C ATOM 1250 CD2 TRP A 77 69.725 26.950 2.770 1.00 0.00 C ATOM 1251 NE1 TRP A 77 69.198 29.118 2.980 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.666 27.878 2.740 1.00 0.00 C ATOM 1253 CE3 TRP A 77 69.442 25.599 2.550 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 67.348 27.497 2.500 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 68.134 25.222 2.313 1.00 0.00 C ATOM 1256 CH2 TRP A 77 67.101 26.168 2.288 1.00 0.00 C ATOM 0 H TRP A 77 74.166 25.598 3.729 1.00 0.00 H new ATOM 0 HA TRP A 77 72.960 27.763 5.110 1.00 0.00 H new ATOM 0 HB2 TRP A 77 73.019 27.832 2.735 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.378 26.208 2.580 1.00 0.00 H new ATOM 0 HD1 TRP A 77 71.230 29.812 3.363 1.00 0.00 H new ATOM 0 HE1 TRP A 77 68.672 29.991 3.020 1.00 0.00 H new ATOM 0 HE3 TRP A 77 70.232 24.863 2.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.550 28.224 2.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 67.904 24.180 2.144 1.00 0.00 H new ATOM 0 HH2 TRP A 77 66.089 25.842 2.098 1.00 0.00 H new ATOM 1267 N LYS A 78 71.356 24.882 5.117 1.00 0.00 N ATOM 1268 CA LYS A 78 70.280 24.140 5.763 1.00 0.00 C ATOM 1269 C LYS A 78 70.448 24.150 7.279 1.00 0.00 C ATOM 1270 O LYS A 78 69.477 24.307 8.021 1.00 0.00 O ATOM 1271 CB LYS A 78 70.249 22.698 5.252 1.00 0.00 C ATOM 1272 CG LYS A 78 69.245 21.818 5.977 1.00 0.00 C ATOM 1273 CD LYS A 78 67.824 22.322 5.790 1.00 0.00 C ATOM 1274 CE LYS A 78 66.805 21.329 6.328 1.00 0.00 C ATOM 1275 NZ LYS A 78 66.598 21.486 7.794 1.00 0.00 N ATOM 0 H LYS A 78 71.930 24.325 4.484 1.00 0.00 H new ATOM 0 HA LYS A 78 69.336 24.627 5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 78 70.013 22.703 4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.243 22.263 5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.321 20.796 5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 78 69.485 21.790 7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 78 67.706 23.278 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 78 67.636 22.500 4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 78 65.856 21.467 5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 78 67.140 20.314 6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 65.897 20.791 8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 67.498 21.330 8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 66.254 22.447 7.995 1.00 0.00 H new ATOM 1289 N THR A 79 71.685 23.981 7.735 1.00 0.00 N ATOM 1290 CA THR A 79 71.980 23.971 9.162 1.00 0.00 C ATOM 1291 C THR A 79 71.740 25.343 9.783 1.00 0.00 C ATOM 1292 O THR A 79 71.037 25.467 10.786 1.00 0.00 O ATOM 1293 CB THR A 79 73.435 23.545 9.433 1.00 0.00 C ATOM 1294 OG1 THR A 79 73.798 22.464 8.566 1.00 0.00 O ATOM 1295 CG2 THR A 79 73.614 23.121 10.883 1.00 0.00 C ATOM 0 H THR A 79 72.500 23.849 7.136 1.00 0.00 H new ATOM 0 HA THR A 79 71.306 23.246 9.618 1.00 0.00 H new ATOM 0 HB THR A 79 74.083 24.400 9.239 1.00 0.00 H new ATOM 0 HG1 THR A 79 74.096 22.822 7.704 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.649 22.825 11.050 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.365 23.955 11.539 1.00 0.00 H new ATOM 0 HG23 THR A 79 72.956 22.279 11.100 1.00 0.00 H new ATOM 1303 N LEU A 80 72.329 26.370 9.180 1.00 0.00 N ATOM 1304 CA LEU A 80 72.179 27.735 9.674 1.00 0.00 C ATOM 1305 C LEU A 80 70.710 28.144 9.704 1.00 0.00 C ATOM 1306 O LEU A 80 70.290 28.927 10.556 1.00 0.00 O ATOM 1307 CB LEU A 80 72.973 28.705 8.798 1.00 0.00 C ATOM 1308 CG LEU A 80 72.167 29.483 7.757 1.00 0.00 C ATOM 1309 CD1 LEU A 80 71.542 30.721 8.382 1.00 0.00 C ATOM 1310 CD2 LEU A 80 73.048 29.867 6.577 1.00 0.00 C ATOM 0 H LEU A 80 72.914 26.284 8.349 1.00 0.00 H new ATOM 0 HA LEU A 80 72.568 27.773 10.691 1.00 0.00 H new ATOM 0 HB2 LEU A 80 73.476 29.421 9.448 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.750 28.143 8.280 1.00 0.00 H new ATOM 0 HG LEU A 80 71.366 28.840 7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.972 31.262 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.878 30.423 9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 80 72.328 31.366 8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 80 72.457 30.420 5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.871 30.491 6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.448 28.965 6.113 1.00 0.00 H new ATOM 1322 N VAL A 81 69.932 27.608 8.769 1.00 0.00 N ATOM 1323 CA VAL A 81 68.509 27.915 8.690 1.00 0.00 C ATOM 1324 C VAL A 81 67.751 27.314 9.868 1.00 0.00 C ATOM 1325 O VAL A 81 66.942 27.987 10.508 1.00 0.00 O ATOM 1326 CB VAL A 81 67.894 27.393 7.378 1.00 0.00 C ATOM 1327 CG1 VAL A 81 66.378 27.332 7.486 1.00 0.00 C ATOM 1328 CG2 VAL A 81 68.318 28.265 6.206 1.00 0.00 C ATOM 0 H VAL A 81 70.263 26.959 8.055 1.00 0.00 H new ATOM 0 HA VAL A 81 68.418 29.001 8.719 1.00 0.00 H new ATOM 0 HB VAL A 81 68.263 26.383 7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 81 65.961 26.961 6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 81 66.098 26.662 8.299 1.00 0.00 H new ATOM 0 HG13 VAL A 81 65.987 28.329 7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.874 27.881 5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.980 29.288 6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.404 28.252 6.117 1.00 0.00 H new ATOM 1338 N HIS A 82 68.018 26.043 10.151 1.00 0.00 N ATOM 1339 CA HIS A 82 67.362 25.351 11.254 1.00 0.00 C ATOM 1340 C HIS A 82 67.662 26.038 12.582 1.00 0.00 C ATOM 1341 O HIS A 82 66.793 26.148 13.448 1.00 0.00 O ATOM 1342 CB HIS A 82 67.813 23.891 11.308 1.00 0.00 C ATOM 1343 CG HIS A 82 66.920 23.018 12.136 1.00 0.00 C ATOM 1344 ND1 HIS A 82 65.563 22.906 11.916 1.00 0.00 N ATOM 1345 CD2 HIS A 82 67.197 22.213 13.188 1.00 0.00 C ATOM 1346 CE1 HIS A 82 65.045 22.070 12.797 1.00 0.00 C ATOM 1347 NE2 HIS A 82 66.015 21.635 13.581 1.00 0.00 N ATOM 0 H HIS A 82 68.684 25.472 9.631 1.00 0.00 H new ATOM 0 HA HIS A 82 66.286 25.385 11.083 1.00 0.00 H new ATOM 0 HB2 HIS A 82 67.855 23.495 10.293 1.00 0.00 H new ATOM 0 HB3 HIS A 82 68.825 23.847 11.710 1.00 0.00 H new ATOM 0 HD2 HIS A 82 68.167 22.055 13.635 1.00 0.00 H new ATOM 0 HE1 HIS A 82 64.004 21.789 12.865 1.00 0.00 H new ATOM 0 HE2 HIS A 82 65.904 20.977 14.353 1.00 0.00 H new ATOM 1355 N THR A 83 68.900 26.499 12.738 1.00 0.00 N ATOM 1356 CA THR A 83 69.316 27.174 13.961 1.00 0.00 C ATOM 1357 C THR A 83 68.731 28.579 14.040 1.00 0.00 C ATOM 1358 O THR A 83 68.479 29.097 15.128 1.00 0.00 O ATOM 1359 CB THR A 83 70.850 27.262 14.060 1.00 0.00 C ATOM 1360 OG1 THR A 83 71.430 25.971 13.842 1.00 0.00 O ATOM 1361 CG2 THR A 83 71.275 27.792 15.421 1.00 0.00 C ATOM 0 H THR A 83 69.632 26.417 12.032 1.00 0.00 H new ATOM 0 HA THR A 83 68.939 26.580 14.794 1.00 0.00 H new ATOM 0 HB THR A 83 71.203 27.952 13.293 1.00 0.00 H new ATOM 0 HG1 THR A 83 71.333 25.724 12.899 1.00 0.00 H new ATOM 0 HG21 THR A 83 72.363 27.845 15.467 1.00 0.00 H new ATOM 0 HG22 THR A 83 70.856 28.787 15.571 1.00 0.00 H new ATOM 0 HG23 THR A 83 70.911 27.124 16.202 1.00 0.00 H new ATOM 1369 N ALA A 84 68.517 29.192 12.880 1.00 0.00 N ATOM 1370 CA ALA A 84 67.959 30.537 12.819 1.00 0.00 C ATOM 1371 C ALA A 84 66.436 30.504 12.887 1.00 0.00 C ATOM 1372 O ALA A 84 65.786 31.545 12.984 1.00 0.00 O ATOM 1373 CB ALA A 84 68.417 31.241 11.550 1.00 0.00 C ATOM 0 H ALA A 84 68.722 28.778 11.970 1.00 0.00 H new ATOM 0 HA ALA A 84 68.323 31.094 13.683 1.00 0.00 H new ATOM 0 HB1 ALA A 84 67.993 32.245 11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 84 69.505 31.306 11.543 1.00 0.00 H new ATOM 0 HB3 ALA A 84 68.082 30.677 10.680 1.00 0.00 H new ATOM 1379 N SER A 85 65.872 29.301 12.836 1.00 0.00 N ATOM 1380 CA SER A 85 64.425 29.132 12.887 1.00 0.00 C ATOM 1381 C SER A 85 63.986 28.617 14.254 1.00 0.00 C ATOM 1382 O SER A 85 62.935 29.002 14.767 1.00 0.00 O ATOM 1383 CB SER A 85 63.964 28.167 11.793 1.00 0.00 C ATOM 1384 OG SER A 85 62.654 28.483 11.354 1.00 0.00 O ATOM 0 H SER A 85 66.396 28.429 12.759 1.00 0.00 H new ATOM 0 HA SER A 85 63.964 30.106 12.720 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.654 28.211 10.950 1.00 0.00 H new ATOM 0 HB3 SER A 85 63.988 27.145 12.171 1.00 0.00 H new ATOM 0 HG SER A 85 62.383 27.853 10.654 1.00 0.00 H new ATOM 1390 N ILE A 86 64.799 27.744 14.839 1.00 0.00 N ATOM 1391 CA ILE A 86 64.496 27.176 16.147 1.00 0.00 C ATOM 1392 C ILE A 86 64.193 28.270 17.164 1.00 0.00 C ATOM 1393 O ILE A 86 64.366 29.456 16.885 1.00 0.00 O ATOM 1394 CB ILE A 86 65.661 26.313 16.669 1.00 0.00 C ATOM 1395 CG1 ILE A 86 66.977 27.087 16.580 1.00 0.00 C ATOM 1396 CG2 ILE A 86 65.750 25.013 15.884 1.00 0.00 C ATOM 1397 CD1 ILE A 86 68.137 26.385 17.251 1.00 0.00 C ATOM 0 H ILE A 86 65.672 27.415 14.428 1.00 0.00 H new ATOM 0 HA ILE A 86 63.615 26.546 16.022 1.00 0.00 H new ATOM 0 HB ILE A 86 65.474 26.071 17.715 1.00 0.00 H new ATOM 0 HG12 ILE A 86 67.221 27.253 15.531 1.00 0.00 H new ATOM 0 HG13 ILE A 86 66.844 28.068 17.036 1.00 0.00 H new ATOM 0 HG21 ILE A 86 66.578 24.414 16.264 1.00 0.00 H new ATOM 0 HG22 ILE A 86 64.819 24.457 15.994 1.00 0.00 H new ATOM 0 HG23 ILE A 86 65.917 25.235 14.830 1.00 0.00 H new ATOM 0 HD11 ILE A 86 69.037 26.991 17.149 1.00 0.00 H new ATOM 0 HD12 ILE A 86 67.914 26.242 18.308 1.00 0.00 H new ATOM 0 HD13 ILE A 86 68.297 25.415 16.780 1.00 0.00 H new ATOM 1409 N ALA A 87 63.741 27.863 18.346 1.00 0.00 N ATOM 1410 CA ALA A 87 63.418 28.808 19.407 1.00 0.00 C ATOM 1411 C ALA A 87 64.608 29.708 19.723 1.00 0.00 C ATOM 1412 O ALA A 87 65.755 29.395 19.404 1.00 0.00 O ATOM 1413 CB ALA A 87 62.968 28.066 20.657 1.00 0.00 C ATOM 0 H ALA A 87 63.590 26.885 18.592 1.00 0.00 H new ATOM 0 HA ALA A 87 62.601 29.440 19.059 1.00 0.00 H new ATOM 0 HB1 ALA A 87 62.730 28.785 21.441 1.00 0.00 H new ATOM 0 HB2 ALA A 87 62.083 27.472 20.429 1.00 0.00 H new ATOM 0 HB3 ALA A 87 63.768 27.409 20.998 1.00 0.00 H new ATOM 1419 N PRO A 88 64.332 30.852 20.366 1.00 0.00 N ATOM 1420 CA PRO A 88 65.367 31.820 20.739 1.00 0.00 C ATOM 1421 C PRO A 88 66.273 31.301 21.850 1.00 0.00 C ATOM 1422 O PRO A 88 67.484 31.516 21.826 1.00 0.00 O ATOM 1423 CB PRO A 88 64.564 33.029 21.225 1.00 0.00 C ATOM 1424 CG PRO A 88 63.263 32.462 21.677 1.00 0.00 C ATOM 1425 CD PRO A 88 62.987 31.289 20.778 1.00 0.00 C ATOM 0 HA PRO A 88 66.036 32.042 19.907 1.00 0.00 H new ATOM 0 HB2 PRO A 88 65.076 33.543 22.038 1.00 0.00 H new ATOM 0 HB3 PRO A 88 64.423 33.757 20.426 1.00 0.00 H new ATOM 0 HG2 PRO A 88 63.315 32.150 22.720 1.00 0.00 H new ATOM 0 HG3 PRO A 88 62.468 33.204 21.605 1.00 0.00 H new ATOM 0 HD2 PRO A 88 62.450 30.498 21.302 1.00 0.00 H new ATOM 0 HD3 PRO A 88 62.377 31.574 19.921 1.00 0.00 H new ATOM 1433 N GLN A 89 65.677 30.616 22.821 1.00 0.00 N ATOM 1434 CA GLN A 89 66.432 30.066 23.941 1.00 0.00 C ATOM 1435 C GLN A 89 67.418 29.005 23.465 1.00 0.00 C ATOM 1436 O GLN A 89 68.441 28.763 24.105 1.00 0.00 O ATOM 1437 CB GLN A 89 65.481 29.467 24.979 1.00 0.00 C ATOM 1438 CG GLN A 89 64.544 28.415 24.410 1.00 0.00 C ATOM 1439 CD GLN A 89 63.736 27.711 25.482 1.00 0.00 C ATOM 1440 OE1 GLN A 89 62.668 28.179 25.879 1.00 0.00 O ATOM 1441 NE2 GLN A 89 64.242 26.579 25.958 1.00 0.00 N ATOM 0 H GLN A 89 64.675 30.429 22.855 1.00 0.00 H new ATOM 0 HA GLN A 89 66.995 30.878 24.400 1.00 0.00 H new ATOM 0 HB2 GLN A 89 66.068 29.022 25.783 1.00 0.00 H new ATOM 0 HB3 GLN A 89 64.889 30.268 25.422 1.00 0.00 H new ATOM 0 HG2 GLN A 89 63.865 28.885 23.699 1.00 0.00 H new ATOM 0 HG3 GLN A 89 65.125 27.678 23.856 1.00 0.00 H new ATOM 0 HE21 GLN A 89 65.130 26.227 25.600 1.00 0.00 H new ATOM 0 HE22 GLN A 89 63.742 26.061 26.681 1.00 0.00 H new ATOM 1450 N GLN A 90 67.102 28.375 22.338 1.00 0.00 N ATOM 1451 CA GLN A 90 67.961 27.338 21.777 1.00 0.00 C ATOM 1452 C GLN A 90 69.071 27.951 20.929 1.00 0.00 C ATOM 1453 O GLN A 90 70.137 27.358 20.763 1.00 0.00 O ATOM 1454 CB GLN A 90 67.136 26.365 20.933 1.00 0.00 C ATOM 1455 CG GLN A 90 65.984 25.726 21.692 1.00 0.00 C ATOM 1456 CD GLN A 90 65.518 24.429 21.061 1.00 0.00 C ATOM 1457 OE1 GLN A 90 66.250 23.798 20.298 1.00 0.00 O ATOM 1458 NE2 GLN A 90 64.293 24.024 21.376 1.00 0.00 N ATOM 0 H GLN A 90 66.259 28.564 21.796 1.00 0.00 H new ATOM 0 HA GLN A 90 68.419 26.794 22.603 1.00 0.00 H new ATOM 0 HB2 GLN A 90 66.740 26.895 20.067 1.00 0.00 H new ATOM 0 HB3 GLN A 90 67.791 25.580 20.555 1.00 0.00 H new ATOM 0 HG2 GLN A 90 66.292 25.535 22.720 1.00 0.00 H new ATOM 0 HG3 GLN A 90 65.149 26.426 21.734 1.00 0.00 H new ATOM 0 HE21 GLN A 90 63.721 24.578 22.013 1.00 0.00 H new ATOM 0 HE22 GLN A 90 63.925 23.159 20.981 1.00 0.00 H new ATOM 1467 N ARG A 91 68.813 29.140 20.395 1.00 0.00 N ATOM 1468 CA ARG A 91 69.790 29.832 19.563 1.00 0.00 C ATOM 1469 C ARG A 91 70.877 30.473 20.421 1.00 0.00 C ATOM 1470 O ARG A 91 70.978 31.698 20.499 1.00 0.00 O ATOM 1471 CB ARG A 91 69.101 30.900 18.711 1.00 0.00 C ATOM 1472 CG ARG A 91 69.919 31.340 17.508 1.00 0.00 C ATOM 1473 CD ARG A 91 69.624 32.784 17.132 1.00 0.00 C ATOM 1474 NE ARG A 91 68.201 33.007 16.892 1.00 0.00 N ATOM 1475 CZ ARG A 91 67.629 34.205 16.926 1.00 0.00 C ATOM 1476 NH1 ARG A 91 68.355 35.283 17.189 1.00 0.00 N ATOM 1477 NH2 ARG A 91 66.328 34.328 16.697 1.00 0.00 N ATOM 0 H ARG A 91 67.936 29.644 20.524 1.00 0.00 H new ATOM 0 HA ARG A 91 70.256 29.098 18.906 1.00 0.00 H new ATOM 0 HB2 ARG A 91 68.142 30.514 18.366 1.00 0.00 H new ATOM 0 HB3 ARG A 91 68.890 31.769 19.334 1.00 0.00 H new ATOM 0 HG2 ARG A 91 70.981 31.230 17.729 1.00 0.00 H new ATOM 0 HG3 ARG A 91 69.700 30.690 16.661 1.00 0.00 H new ATOM 0 HD2 ARG A 91 69.965 33.443 17.930 1.00 0.00 H new ATOM 0 HD3 ARG A 91 70.188 33.048 16.238 1.00 0.00 H new ATOM 0 HE ARG A 91 67.614 32.198 16.687 1.00 0.00 H new ATOM 0 HH11 ARG A 91 69.356 35.193 17.366 1.00 0.00 H new ATOM 0 HH12 ARG A 91 67.913 36.202 17.214 1.00 0.00 H new ATOM 0 HH21 ARG A 91 65.765 33.502 16.494 1.00 0.00 H new ATOM 0 HH22 ARG A 91 65.890 35.249 16.724 1.00 0.00 H new ATOM 1491 N ARG A 92 71.688 29.638 21.062 1.00 0.00 N ATOM 1492 CA ARG A 92 72.766 30.123 21.915 1.00 0.00 C ATOM 1493 C ARG A 92 74.123 29.900 21.255 1.00 0.00 C ATOM 1494 O ARG A 92 74.710 28.824 21.368 1.00 0.00 O ATOM 1495 CB ARG A 92 72.725 29.422 23.274 1.00 0.00 C ATOM 1496 CG ARG A 92 71.504 29.777 24.107 1.00 0.00 C ATOM 1497 CD ARG A 92 71.723 31.058 24.897 1.00 0.00 C ATOM 1498 NE ARG A 92 71.001 31.047 26.167 1.00 0.00 N ATOM 1499 CZ ARG A 92 70.807 32.131 26.911 1.00 0.00 C ATOM 1500 NH1 ARG A 92 71.278 33.305 26.514 1.00 0.00 N ATOM 1501 NH2 ARG A 92 70.139 32.041 28.054 1.00 0.00 N ATOM 0 H ARG A 92 71.619 28.622 21.007 1.00 0.00 H new ATOM 0 HA ARG A 92 72.625 31.194 22.063 1.00 0.00 H new ATOM 0 HB2 ARG A 92 72.746 28.343 23.118 1.00 0.00 H new ATOM 0 HB3 ARG A 92 73.624 29.681 23.834 1.00 0.00 H new ATOM 0 HG2 ARG A 92 70.638 29.894 23.455 1.00 0.00 H new ATOM 0 HG3 ARG A 92 71.279 28.960 24.792 1.00 0.00 H new ATOM 0 HD2 ARG A 92 72.788 31.190 25.087 1.00 0.00 H new ATOM 0 HD3 ARG A 92 71.397 31.911 24.302 1.00 0.00 H new ATOM 0 HE ARG A 92 70.625 30.159 26.501 1.00 0.00 H new ATOM 0 HH11 ARG A 92 71.791 33.378 25.635 1.00 0.00 H new ATOM 0 HH12 ARG A 92 71.127 34.135 27.087 1.00 0.00 H new ATOM 0 HH21 ARG A 92 69.774 31.140 28.362 1.00 0.00 H new ATOM 0 HH22 ARG A 92 69.990 32.873 28.625 1.00 0.00 H new ATOM 1515 N GLY A 93 74.617 30.924 20.566 1.00 0.00 N ATOM 1516 CA GLY A 93 75.901 30.819 19.898 1.00 0.00 C ATOM 1517 C GLY A 93 76.642 32.140 19.855 1.00 0.00 C ATOM 1518 O GLY A 93 76.757 32.828 20.869 1.00 0.00 O ATOM 0 H GLY A 93 74.151 31.825 20.458 1.00 0.00 H new ATOM 0 HA2 GLY A 93 76.514 30.078 20.411 1.00 0.00 H new ATOM 0 HA3 GLY A 93 75.749 30.458 18.881 1.00 0.00 H new ATOM 1522 N ALA A 94 77.149 32.495 18.679 1.00 0.00 N ATOM 1523 CA ALA A 94 77.882 33.743 18.508 1.00 0.00 C ATOM 1524 C ALA A 94 76.969 34.851 17.995 1.00 0.00 C ATOM 1525 O ALA A 94 75.898 34.600 17.443 1.00 0.00 O ATOM 1526 CB ALA A 94 79.054 33.540 17.559 1.00 0.00 C ATOM 0 H ALA A 94 77.065 31.935 17.830 1.00 0.00 H new ATOM 0 HA ALA A 94 78.265 34.047 19.482 1.00 0.00 H new ATOM 0 HB1 ALA A 94 79.593 34.480 17.440 1.00 0.00 H new ATOM 0 HB2 ALA A 94 79.726 32.785 17.967 1.00 0.00 H new ATOM 0 HB3 ALA A 94 78.683 33.209 16.589 1.00 0.00 H new ATOM 1532 N PRO A 95 77.400 36.107 18.181 1.00 0.00 N ATOM 1533 CA PRO A 95 76.636 37.279 17.744 1.00 0.00 C ATOM 1534 C PRO A 95 76.597 37.413 16.225 1.00 0.00 C ATOM 1535 O PRO A 95 77.579 37.815 15.602 1.00 0.00 O ATOM 1536 CB PRO A 95 77.399 38.452 18.364 1.00 0.00 C ATOM 1537 CG PRO A 95 78.791 37.950 18.536 1.00 0.00 C ATOM 1538 CD PRO A 95 78.668 36.481 18.831 1.00 0.00 C ATOM 0 HA PRO A 95 75.592 37.222 18.051 1.00 0.00 H new ATOM 0 HB2 PRO A 95 77.371 39.329 17.717 1.00 0.00 H new ATOM 0 HB3 PRO A 95 76.964 38.747 19.319 1.00 0.00 H new ATOM 0 HG2 PRO A 95 79.381 38.119 17.635 1.00 0.00 H new ATOM 0 HG3 PRO A 95 79.296 38.471 19.350 1.00 0.00 H new ATOM 0 HD2 PRO A 95 79.509 35.918 18.426 1.00 0.00 H new ATOM 0 HD3 PRO A 95 78.642 36.287 19.903 1.00 0.00 H new ATOM 1546 N VAL A 96 75.455 37.073 15.635 1.00 0.00 N ATOM 1547 CA VAL A 96 75.288 37.157 14.189 1.00 0.00 C ATOM 1548 C VAL A 96 74.186 38.144 13.819 1.00 0.00 C ATOM 1549 O VAL A 96 73.293 38.441 14.613 1.00 0.00 O ATOM 1550 CB VAL A 96 74.954 35.781 13.582 1.00 0.00 C ATOM 1551 CG1 VAL A 96 76.216 34.947 13.423 1.00 0.00 C ATOM 1552 CG2 VAL A 96 73.929 35.055 14.441 1.00 0.00 C ATOM 0 H VAL A 96 74.632 36.737 16.136 1.00 0.00 H new ATOM 0 HA VAL A 96 76.236 37.506 13.781 1.00 0.00 H new ATOM 0 HB VAL A 96 74.522 35.934 12.593 1.00 0.00 H new ATOM 0 HG11 VAL A 96 75.960 33.979 12.993 1.00 0.00 H new ATOM 0 HG12 VAL A 96 76.913 35.464 12.764 1.00 0.00 H new ATOM 0 HG13 VAL A 96 76.680 34.800 14.398 1.00 0.00 H new ATOM 0 HG21 VAL A 96 73.705 34.085 13.998 1.00 0.00 H new ATOM 0 HG22 VAL A 96 74.331 34.911 15.444 1.00 0.00 H new ATOM 0 HG23 VAL A 96 73.016 35.648 14.498 1.00 0.00 H new ATOM 1562 N PRO A 97 74.248 38.664 12.585 1.00 0.00 N ATOM 1563 CA PRO A 97 73.263 39.626 12.081 1.00 0.00 C ATOM 1564 C PRO A 97 71.897 38.988 11.849 1.00 0.00 C ATOM 1565 O PRO A 97 71.783 37.980 11.152 1.00 0.00 O ATOM 1566 CB PRO A 97 73.868 40.091 10.754 1.00 0.00 C ATOM 1567 CG PRO A 97 74.745 38.967 10.323 1.00 0.00 C ATOM 1568 CD PRO A 97 75.285 38.355 11.586 1.00 0.00 C ATOM 0 HA PRO A 97 73.083 40.435 12.789 1.00 0.00 H new ATOM 0 HB2 PRO A 97 73.093 40.294 10.015 1.00 0.00 H new ATOM 0 HB3 PRO A 97 74.438 41.012 10.880 1.00 0.00 H new ATOM 0 HG2 PRO A 97 74.184 38.234 9.743 1.00 0.00 H new ATOM 0 HG3 PRO A 97 75.554 39.325 9.686 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.434 37.280 11.480 1.00 0.00 H new ATOM 0 HD3 PRO A 97 76.248 38.785 11.861 1.00 0.00 H new ATOM 1576 N GLN A 98 70.864 39.582 12.438 1.00 0.00 N ATOM 1577 CA GLN A 98 69.506 39.071 12.294 1.00 0.00 C ATOM 1578 C GLN A 98 69.069 39.090 10.834 1.00 0.00 C ATOM 1579 O GLN A 98 68.286 38.245 10.400 1.00 0.00 O ATOM 1580 CB GLN A 98 68.536 39.898 13.140 1.00 0.00 C ATOM 1581 CG GLN A 98 68.636 39.617 14.631 1.00 0.00 C ATOM 1582 CD GLN A 98 67.881 40.631 15.468 1.00 0.00 C ATOM 1583 OE1 GLN A 98 66.888 41.205 15.021 1.00 0.00 O ATOM 1584 NE2 GLN A 98 68.349 40.855 16.690 1.00 0.00 N ATOM 0 H GLN A 98 70.942 40.417 13.019 1.00 0.00 H new ATOM 0 HA GLN A 98 69.494 38.039 12.644 1.00 0.00 H new ATOM 0 HB2 GLN A 98 68.726 40.957 12.965 1.00 0.00 H new ATOM 0 HB3 GLN A 98 67.517 39.698 12.809 1.00 0.00 H new ATOM 0 HG2 GLN A 98 68.246 38.620 14.836 1.00 0.00 H new ATOM 0 HG3 GLN A 98 69.685 39.616 14.927 1.00 0.00 H new ATOM 0 HE21 GLN A 98 69.176 40.356 17.019 1.00 0.00 H new ATOM 0 HE22 GLN A 98 67.882 41.526 17.300 1.00 0.00 H new ATOM 1593 N GLU A 99 69.579 40.058 10.080 1.00 0.00 N ATOM 1594 CA GLU A 99 69.239 40.186 8.668 1.00 0.00 C ATOM 1595 C GLU A 99 69.624 38.926 7.899 1.00 0.00 C ATOM 1596 O GLU A 99 68.956 38.542 6.938 1.00 0.00 O ATOM 1597 CB GLU A 99 69.942 41.402 8.059 1.00 0.00 C ATOM 1598 CG GLU A 99 71.432 41.453 8.351 1.00 0.00 C ATOM 1599 CD GLU A 99 71.764 42.330 9.542 1.00 0.00 C ATOM 1600 OE1 GLU A 99 70.846 42.627 10.335 1.00 0.00 O ATOM 1601 OE2 GLU A 99 72.943 42.719 9.682 1.00 0.00 O ATOM 0 H GLU A 99 70.229 40.765 10.423 1.00 0.00 H new ATOM 0 HA GLU A 99 68.160 40.322 8.592 1.00 0.00 H new ATOM 0 HB2 GLU A 99 69.792 41.395 6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 99 69.474 42.310 8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 99 71.797 40.443 8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 99 71.958 41.826 7.472 1.00 0.00 H new ATOM 1608 N LEU A 100 70.706 38.285 8.329 1.00 0.00 N ATOM 1609 CA LEU A 100 71.182 37.067 7.681 1.00 0.00 C ATOM 1610 C LEU A 100 70.207 35.915 7.906 1.00 0.00 C ATOM 1611 O LEU A 100 69.937 35.131 6.995 1.00 0.00 O ATOM 1612 CB LEU A 100 72.565 36.691 8.214 1.00 0.00 C ATOM 1613 CG LEU A 100 73.758 37.223 7.418 1.00 0.00 C ATOM 1614 CD1 LEU A 100 73.821 36.566 6.048 1.00 0.00 C ATOM 1615 CD2 LEU A 100 73.677 38.736 7.283 1.00 0.00 C ATOM 0 H LEU A 100 71.270 38.588 9.123 1.00 0.00 H new ATOM 0 HA LEU A 100 71.251 37.257 6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.648 37.052 9.239 1.00 0.00 H new ATOM 0 HB3 LEU A 100 72.635 35.604 8.252 1.00 0.00 H new ATOM 0 HG LEU A 100 74.671 36.975 7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 100 74.676 36.957 5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 100 73.927 35.488 6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 100 72.905 36.782 5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 100 74.534 39.097 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 100 72.757 39.006 6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 100 73.682 39.190 8.274 1.00 0.00 H new ATOM 1627 N LEU A 101 69.681 35.821 9.122 1.00 0.00 N ATOM 1628 CA LEU A 101 68.734 34.766 9.466 1.00 0.00 C ATOM 1629 C LEU A 101 67.367 35.039 8.846 1.00 0.00 C ATOM 1630 O LEU A 101 66.593 34.115 8.595 1.00 0.00 O ATOM 1631 CB LEU A 101 68.603 34.646 10.985 1.00 0.00 C ATOM 1632 CG LEU A 101 69.893 34.337 11.747 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.892 33.633 10.842 1.00 0.00 C ATOM 1634 CD2 LEU A 101 70.494 35.613 12.317 1.00 0.00 C ATOM 0 H LEU A 101 69.894 36.462 9.886 1.00 0.00 H new ATOM 0 HA LEU A 101 69.113 33.826 9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 101 68.192 35.580 11.369 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.877 33.863 11.207 1.00 0.00 H new ATOM 0 HG LEU A 101 69.652 33.671 12.575 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.803 33.421 11.401 1.00 0.00 H new ATOM 0 HD12 LEU A 101 70.461 32.698 10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 101 71.128 34.274 9.993 1.00 0.00 H new ATOM 0 HD21 LEU A 101 71.411 35.374 12.856 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.720 36.303 11.504 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.782 36.077 13.000 1.00 0.00 H new ATOM 1646 N ASP A 102 67.078 36.312 8.600 1.00 0.00 N ATOM 1647 CA ASP A 102 65.806 36.706 8.007 1.00 0.00 C ATOM 1648 C ASP A 102 65.781 36.392 6.514 1.00 0.00 C ATOM 1649 O ASP A 102 64.775 35.920 5.986 1.00 0.00 O ATOM 1650 CB ASP A 102 65.555 38.198 8.231 1.00 0.00 C ATOM 1651 CG ASP A 102 64.227 38.654 7.658 1.00 0.00 C ATOM 1652 OD1 ASP A 102 63.207 37.982 7.916 1.00 0.00 O ATOM 1653 OD2 ASP A 102 64.208 39.685 6.954 1.00 0.00 O ATOM 0 H ASP A 102 67.708 37.089 8.802 1.00 0.00 H new ATOM 0 HA ASP A 102 65.015 36.135 8.493 1.00 0.00 H new ATOM 0 HB2 ASP A 102 65.579 38.411 9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 102 66.361 38.772 7.774 1.00 0.00 H new ATOM 1658 N ARG A 103 66.896 36.657 5.841 1.00 0.00 N ATOM 1659 CA ARG A 103 67.002 36.405 4.409 1.00 0.00 C ATOM 1660 C ARG A 103 67.001 34.907 4.119 1.00 0.00 C ATOM 1661 O ARG A 103 66.331 34.443 3.196 1.00 0.00 O ATOM 1662 CB ARG A 103 68.275 37.043 3.850 1.00 0.00 C ATOM 1663 CG ARG A 103 69.544 36.586 4.551 1.00 0.00 C ATOM 1664 CD ARG A 103 70.771 37.292 3.997 1.00 0.00 C ATOM 1665 NE ARG A 103 70.967 38.606 4.604 1.00 0.00 N ATOM 1666 CZ ARG A 103 71.717 39.560 4.065 1.00 0.00 C ATOM 1667 NH1 ARG A 103 72.339 39.348 2.913 1.00 0.00 N ATOM 1668 NH2 ARG A 103 71.847 40.730 4.678 1.00 0.00 N ATOM 0 H ARG A 103 67.738 37.046 6.264 1.00 0.00 H new ATOM 0 HA ARG A 103 66.136 36.852 3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 103 68.352 36.809 2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 103 68.195 38.127 3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 103 69.461 36.782 5.620 1.00 0.00 H new ATOM 0 HG3 ARG A 103 69.658 35.508 4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 103 71.653 36.676 4.172 1.00 0.00 H new ATOM 0 HD3 ARG A 103 70.669 37.403 2.917 1.00 0.00 H new ATOM 0 HE ARG A 103 70.502 38.802 5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 103 72.242 38.450 2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 103 72.914 40.083 2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 103 71.370 40.897 5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 103 72.423 41.462 4.263 1.00 0.00 H new ATOM 1682 N VAL A 104 67.757 34.155 4.913 1.00 0.00 N ATOM 1683 CA VAL A 104 67.843 32.710 4.743 1.00 0.00 C ATOM 1684 C VAL A 104 66.517 32.037 5.077 1.00 0.00 C ATOM 1685 O VAL A 104 66.095 31.100 4.397 1.00 0.00 O ATOM 1686 CB VAL A 104 68.950 32.106 5.627 1.00 0.00 C ATOM 1687 CG1 VAL A 104 70.307 32.684 5.255 1.00 0.00 C ATOM 1688 CG2 VAL A 104 68.645 32.344 7.098 1.00 0.00 C ATOM 0 H VAL A 104 68.319 34.523 5.681 1.00 0.00 H new ATOM 0 HA VAL A 104 68.085 32.529 3.696 1.00 0.00 H new ATOM 0 HB VAL A 104 68.982 31.030 5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 104 71.076 32.245 5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 104 70.525 32.457 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 104 70.293 33.765 5.396 1.00 0.00 H new ATOM 0 HG21 VAL A 104 69.437 31.911 7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 104 68.585 33.416 7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 104 67.694 31.876 7.353 1.00 0.00 H new ATOM 1698 N LEU A 105 65.863 32.520 6.127 1.00 0.00 N ATOM 1699 CA LEU A 105 64.582 31.966 6.552 1.00 0.00 C ATOM 1700 C LEU A 105 63.481 32.312 5.554 1.00 0.00 C ATOM 1701 O LEU A 105 62.761 31.434 5.080 1.00 0.00 O ATOM 1702 CB LEU A 105 64.212 32.490 7.940 1.00 0.00 C ATOM 1703 CG LEU A 105 64.902 31.808 9.121 1.00 0.00 C ATOM 1704 CD1 LEU A 105 64.630 32.568 10.410 1.00 0.00 C ATOM 1705 CD2 LEU A 105 64.443 30.363 9.245 1.00 0.00 C ATOM 0 H LEU A 105 66.198 33.294 6.700 1.00 0.00 H new ATOM 0 HA LEU A 105 64.680 30.881 6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 105 64.441 33.555 7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 105 63.134 32.391 8.068 1.00 0.00 H new ATOM 0 HG LEU A 105 65.977 31.813 8.941 1.00 0.00 H new ATOM 0 HD11 LEU A 105 65.129 32.068 11.240 1.00 0.00 H new ATOM 0 HD12 LEU A 105 65.009 33.586 10.319 1.00 0.00 H new ATOM 0 HD13 LEU A 105 63.556 32.596 10.596 1.00 0.00 H new ATOM 0 HD21 LEU A 105 64.945 29.893 10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 105 63.365 30.336 9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 105 64.690 29.823 8.331 1.00 0.00 H new ATOM 1717 N ALA A 106 63.358 33.597 5.239 1.00 0.00 N ATOM 1718 CA ALA A 106 62.348 34.059 4.295 1.00 0.00 C ATOM 1719 C ALA A 106 62.504 33.370 2.944 1.00 0.00 C ATOM 1720 O ALA A 106 61.529 32.893 2.364 1.00 0.00 O ATOM 1721 CB ALA A 106 62.430 35.569 4.132 1.00 0.00 C ATOM 0 H ALA A 106 63.945 34.337 5.624 1.00 0.00 H new ATOM 0 HA ALA A 106 61.367 33.800 4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 106 61.670 35.900 3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 106 62.262 36.049 5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 106 63.417 35.842 3.759 1.00 0.00 H new ATOM 1727 N ALA A 107 63.736 33.321 2.448 1.00 0.00 N ATOM 1728 CA ALA A 107 64.019 32.689 1.166 1.00 0.00 C ATOM 1729 C ALA A 107 63.698 31.198 1.206 1.00 0.00 C ATOM 1730 O ALA A 107 63.159 30.645 0.248 1.00 0.00 O ATOM 1731 CB ALA A 107 65.474 32.907 0.779 1.00 0.00 C ATOM 0 H ALA A 107 64.554 33.712 2.915 1.00 0.00 H new ATOM 0 HA ALA A 107 63.381 33.152 0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 107 65.671 32.429 -0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 107 65.673 33.976 0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 107 66.122 32.472 1.540 1.00 0.00 H new ATOM 1737 N GLN A 108 64.034 30.555 2.319 1.00 0.00 N ATOM 1738 CA GLN A 108 63.782 29.128 2.482 1.00 0.00 C ATOM 1739 C GLN A 108 62.302 28.811 2.291 1.00 0.00 C ATOM 1740 O GLN A 108 61.943 27.928 1.514 1.00 0.00 O ATOM 1741 CB GLN A 108 64.241 28.663 3.865 1.00 0.00 C ATOM 1742 CG GLN A 108 64.205 27.153 4.042 1.00 0.00 C ATOM 1743 CD GLN A 108 62.803 26.626 4.274 1.00 0.00 C ATOM 1744 OE1 GLN A 108 62.315 25.777 3.527 1.00 0.00 O ATOM 1745 NE2 GLN A 108 62.146 27.127 5.313 1.00 0.00 N ATOM 0 H GLN A 108 64.481 30.999 3.121 1.00 0.00 H new ATOM 0 HA GLN A 108 64.350 28.595 1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 108 65.257 29.017 4.039 1.00 0.00 H new ATOM 0 HB3 GLN A 108 63.608 29.125 4.623 1.00 0.00 H new ATOM 0 HG2 GLN A 108 64.626 26.677 3.156 1.00 0.00 H new ATOM 0 HG3 GLN A 108 64.838 26.875 4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 108 62.589 27.829 5.906 1.00 0.00 H new ATOM 0 HE22 GLN A 108 61.199 26.810 5.518 1.00 0.00 H new ATOM 1754 N ALA A 109 61.449 29.538 3.005 1.00 0.00 N ATOM 1755 CA ALA A 109 60.009 29.335 2.913 1.00 0.00 C ATOM 1756 C ALA A 109 59.479 29.773 1.552 1.00 0.00 C ATOM 1757 O ALA A 109 58.478 29.246 1.066 1.00 0.00 O ATOM 1758 CB ALA A 109 59.297 30.090 4.026 1.00 0.00 C ATOM 0 H ALA A 109 61.731 30.273 3.654 1.00 0.00 H new ATOM 0 HA ALA A 109 59.809 28.269 3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 109 58.222 29.929 3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.646 29.727 4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.512 31.155 3.939 1.00 0.00 H new ATOM 1764 N TYR A 110 60.156 30.739 0.942 1.00 0.00 N ATOM 1765 CA TYR A 110 59.751 31.250 -0.363 1.00 0.00 C ATOM 1766 C TYR A 110 59.852 30.163 -1.429 1.00 0.00 C ATOM 1767 O TYR A 110 58.963 30.018 -2.268 1.00 0.00 O ATOM 1768 CB TYR A 110 60.618 32.447 -0.756 1.00 0.00 C ATOM 1769 CG TYR A 110 59.978 33.784 -0.455 1.00 0.00 C ATOM 1770 CD1 TYR A 110 59.340 34.012 0.758 1.00 0.00 C ATOM 1771 CD2 TYR A 110 60.009 34.817 -1.383 1.00 0.00 C ATOM 1772 CE1 TYR A 110 58.753 35.231 1.038 1.00 0.00 C ATOM 1773 CE2 TYR A 110 59.426 36.039 -1.111 1.00 0.00 C ATOM 1774 CZ TYR A 110 58.799 36.241 0.100 1.00 0.00 C ATOM 1775 OH TYR A 110 58.216 37.457 0.374 1.00 0.00 O ATOM 0 H TYR A 110 60.988 31.184 1.330 1.00 0.00 H new ATOM 0 HA TYR A 110 58.711 31.570 -0.293 1.00 0.00 H new ATOM 0 HB2 TYR A 110 61.571 32.383 -0.230 1.00 0.00 H new ATOM 0 HB3 TYR A 110 60.838 32.391 -1.822 1.00 0.00 H new ATOM 0 HD1 TYR A 110 59.302 33.223 1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 110 60.497 34.662 -2.334 1.00 0.00 H new ATOM 0 HE1 TYR A 110 58.261 35.392 1.986 1.00 0.00 H new ATOM 0 HE2 TYR A 110 59.461 36.832 -1.843 1.00 0.00 H new ATOM 0 HH TYR A 110 58.338 38.058 -0.390 1.00 0.00 H new ATOM 1785 N TRP A 111 60.940 29.402 -1.387 1.00 0.00 N ATOM 1786 CA TRP A 111 61.157 28.327 -2.349 1.00 0.00 C ATOM 1787 C TRP A 111 60.494 27.037 -1.881 1.00 0.00 C ATOM 1788 O TRP A 111 60.507 26.030 -2.589 1.00 0.00 O ATOM 1789 CB TRP A 111 62.655 28.099 -2.559 1.00 0.00 C ATOM 1790 CG TRP A 111 63.429 29.368 -2.745 1.00 0.00 C ATOM 1791 CD1 TRP A 111 64.595 29.716 -2.124 1.00 0.00 C ATOM 1792 CD2 TRP A 111 63.092 30.459 -3.608 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.002 30.957 -2.550 1.00 0.00 N ATOM 1794 CE2 TRP A 111 64.098 31.434 -3.461 1.00 0.00 C ATOM 1795 CE3 TRP A 111 62.039 30.707 -4.493 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 64.079 32.635 -4.165 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 62.021 31.900 -5.191 1.00 0.00 C ATOM 1798 CH2 TRP A 111 63.036 32.851 -5.024 1.00 0.00 C ATOM 0 H TRP A 111 61.685 29.509 -0.698 1.00 0.00 H new ATOM 0 HA TRP A 111 60.705 28.622 -3.296 1.00 0.00 H new ATOM 0 HB2 TRP A 111 63.057 27.559 -1.701 1.00 0.00 H new ATOM 0 HB3 TRP A 111 62.799 27.463 -3.432 1.00 0.00 H new ATOM 0 HD1 TRP A 111 65.120 29.105 -1.404 1.00 0.00 H new ATOM 0 HE1 TRP A 111 65.842 31.444 -2.238 1.00 0.00 H new ATOM 0 HE3 TRP A 111 61.253 29.979 -4.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 64.860 33.370 -4.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 61.211 32.102 -5.876 1.00 0.00 H new ATOM 0 HH2 TRP A 111 62.994 33.773 -5.585 1.00 0.00 H new ATOM 1809 N SER A 112 59.915 27.073 -0.685 1.00 0.00 N ATOM 1810 CA SER A 112 59.249 25.904 -0.122 1.00 0.00 C ATOM 1811 C SER A 112 57.762 25.909 -0.463 1.00 0.00 C ATOM 1812 O SER A 112 56.917 25.631 0.388 1.00 0.00 O ATOM 1813 CB SER A 112 59.436 25.867 1.396 1.00 0.00 C ATOM 1814 OG SER A 112 59.150 24.579 1.913 1.00 0.00 O ATOM 0 H SER A 112 59.894 27.899 -0.087 1.00 0.00 H new ATOM 0 HA SER A 112 59.701 25.013 -0.559 1.00 0.00 H new ATOM 0 HB2 SER A 112 60.460 26.144 1.646 1.00 0.00 H new ATOM 0 HB3 SER A 112 58.783 26.604 1.864 1.00 0.00 H new ATOM 0 HG SER A 112 58.259 24.299 1.618 1.00 0.00 H new