USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 446 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot 51:sc= 0.876 USER MOD Set 1.2: A 105 SER OG : rot 128:sc= 0.524 USER MOD Single : A 42 CYS SG : rot 180:sc= -2.61! USER MOD Single : A 45 MET CE :methyl -148:sc= -0.0128 (180deg=-1.3) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 53 SER OG : rot 69:sc= 0.0178 USER MOD Single : A 79 CYS SG : rot 106:sc= 1.9 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.865 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.401 K(o=-0.4,f=-2.2!) USER MOD Single : A 93 MET CE :methyl 159:sc= -0.155 (180deg=-0.797) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 120:sc= 0 USER MOD Single : A 102 THR OG1 : rot 134:sc= 0.658 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.46) USER MOD Single : A 118 HIS : no HE2:sc= -0.0406 K(o=-0.041,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 567 N THR A 40 6.981 0.901 -11.622 1.00 0.00 N ATOM 568 CA THR A 40 5.900 -0.106 -11.720 1.00 0.00 C ATOM 569 C THR A 40 5.511 -0.616 -10.313 1.00 0.00 C ATOM 570 O THR A 40 6.209 -1.438 -9.709 1.00 0.00 O ATOM 571 CB THR A 40 6.354 -1.305 -12.622 1.00 0.00 C ATOM 572 OG1 THR A 40 7.564 -1.877 -12.101 1.00 0.00 O ATOM 573 CG2 THR A 40 6.611 -0.880 -14.074 1.00 0.00 C ATOM 0 HA THR A 40 5.028 0.364 -12.175 1.00 0.00 H new ATOM 0 HB THR A 40 5.541 -2.031 -12.613 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.452 -2.066 -11.146 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.923 -1.747 -14.657 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.697 -0.467 -14.499 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.396 -0.125 -14.098 1.00 0.00 H new ATOM 581 N VAL A 41 4.399 -0.081 -9.773 1.00 0.00 N ATOM 582 CA VAL A 41 3.862 -0.469 -8.445 1.00 0.00 C ATOM 583 C VAL A 41 2.329 -0.640 -8.525 1.00 0.00 C ATOM 584 O VAL A 41 1.597 0.342 -8.554 1.00 0.00 O ATOM 585 CB VAL A 41 4.179 0.594 -7.314 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.706 0.071 -5.930 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.673 1.008 -7.278 1.00 0.00 C ATOM 0 H VAL A 41 3.843 0.634 -10.243 1.00 0.00 H new ATOM 0 HA VAL A 41 4.353 -1.405 -8.180 1.00 0.00 H new ATOM 0 HB VAL A 41 3.620 1.497 -7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.931 0.813 -5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.631 -0.108 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.223 -0.860 -5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.829 1.738 -6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.290 0.129 -7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.952 1.449 -8.235 1.00 0.00 H new ATOM 597 N CYS A 42 1.848 -1.885 -8.575 1.00 0.00 N ATOM 598 CA CYS A 42 0.399 -2.190 -8.530 1.00 0.00 C ATOM 599 C CYS A 42 0.076 -2.880 -7.202 1.00 0.00 C ATOM 600 O CYS A 42 0.389 -4.048 -6.996 1.00 0.00 O ATOM 601 CB CYS A 42 -0.006 -3.070 -9.731 1.00 0.00 C ATOM 602 SG CYS A 42 0.305 -2.294 -11.333 1.00 0.00 S ATOM 0 H CYS A 42 2.441 -2.712 -8.647 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.174 -1.265 -8.597 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.540 -4.012 -9.681 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.066 -3.311 -9.653 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.061 -3.101 -12.284 1.00 0.00 H new ATOM 608 N ALA A 43 -0.590 -2.145 -6.315 1.00 0.00 N ATOM 609 CA ALA A 43 -0.848 -2.567 -4.929 1.00 0.00 C ATOM 610 C ALA A 43 -2.280 -2.185 -4.562 1.00 0.00 C ATOM 611 O ALA A 43 -2.822 -1.216 -5.107 1.00 0.00 O ATOM 612 CB ALA A 43 0.177 -1.920 -3.975 1.00 0.00 C ATOM 0 H ALA A 43 -0.973 -1.226 -6.536 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.737 -3.647 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.025 -2.240 -2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.183 -2.227 -4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.098 -0.835 -4.038 1.00 0.00 H new ATOM 618 N GLU A 44 -2.914 -2.943 -3.670 1.00 0.00 N ATOM 619 CA GLU A 44 -4.326 -2.716 -3.338 1.00 0.00 C ATOM 620 C GLU A 44 -4.494 -2.323 -1.868 1.00 0.00 C ATOM 621 O GLU A 44 -3.947 -2.974 -0.974 1.00 0.00 O ATOM 622 CB GLU A 44 -5.168 -3.971 -3.653 1.00 0.00 C ATOM 623 CG GLU A 44 -6.650 -3.661 -3.817 1.00 0.00 C ATOM 624 CD GLU A 44 -7.513 -4.920 -3.966 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.426 -5.581 -5.015 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.280 -5.248 -3.042 1.00 0.00 O ATOM 0 H GLU A 44 -2.480 -3.715 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.682 -1.890 -3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.795 -4.433 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.040 -4.699 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.994 -3.092 -2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.788 -3.027 -4.693 1.00 0.00 H new ATOM 633 N MET A 45 -5.242 -1.230 -1.634 1.00 0.00 N ATOM 634 CA MET A 45 -5.627 -0.794 -0.274 1.00 0.00 C ATOM 635 C MET A 45 -7.157 -0.848 -0.077 1.00 0.00 C ATOM 636 O MET A 45 -7.926 -0.749 -1.035 1.00 0.00 O ATOM 637 CB MET A 45 -5.069 0.622 0.051 1.00 0.00 C ATOM 638 CG MET A 45 -3.536 0.750 -0.154 1.00 0.00 C ATOM 639 SD MET A 45 -2.770 2.071 0.814 1.00 0.00 S ATOM 640 CE MET A 45 -3.460 3.547 0.080 1.00 0.00 C ATOM 0 H MET A 45 -5.596 -0.625 -2.375 1.00 0.00 H new ATOM 0 HA MET A 45 -5.177 -1.494 0.430 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.573 1.355 -0.579 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.310 0.870 1.085 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.065 -0.198 0.107 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.335 0.925 -1.211 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.732 4.356 0.137 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.707 3.353 -0.964 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.363 3.833 0.619 1.00 0.00 H new ATOM 650 N THR A 46 -7.574 -1.005 1.194 1.00 0.00 N ATOM 651 CA THR A 46 -9.004 -1.093 1.589 1.00 0.00 C ATOM 652 C THR A 46 -9.545 0.294 1.964 1.00 0.00 C ATOM 653 O THR A 46 -8.772 1.171 2.374 1.00 0.00 O ATOM 654 CB THR A 46 -9.231 -2.083 2.790 1.00 0.00 C ATOM 655 OG1 THR A 46 -10.626 -2.141 3.136 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.428 -1.700 4.044 1.00 0.00 C ATOM 0 H THR A 46 -6.931 -1.075 1.983 1.00 0.00 H new ATOM 0 HA THR A 46 -9.545 -1.481 0.726 1.00 0.00 H new ATOM 0 HB THR A 46 -8.879 -3.057 2.450 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.752 -2.762 3.883 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.627 -2.420 4.837 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.364 -1.703 3.809 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.724 -0.705 4.375 1.00 0.00 H new ATOM 664 N GLU A 47 -10.880 0.469 1.861 1.00 0.00 N ATOM 665 CA GLU A 47 -11.550 1.773 2.099 1.00 0.00 C ATOM 666 C GLU A 47 -11.199 2.369 3.479 1.00 0.00 C ATOM 667 O GLU A 47 -11.067 3.578 3.605 1.00 0.00 O ATOM 668 CB GLU A 47 -13.090 1.634 1.964 1.00 0.00 C ATOM 669 CG GLU A 47 -13.862 2.972 2.071 1.00 0.00 C ATOM 670 CD GLU A 47 -15.393 2.805 2.114 1.00 0.00 C ATOM 671 OE1 GLU A 47 -15.940 2.516 3.204 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.058 2.958 1.066 1.00 0.00 O ATOM 0 H GLU A 47 -11.523 -0.282 1.612 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.180 2.458 1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.319 1.172 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.451 0.957 2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.538 3.497 2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.598 3.602 1.221 1.00 0.00 H new ATOM 679 N GLU A 48 -10.984 1.477 4.468 1.00 0.00 N ATOM 680 CA GLU A 48 -10.705 1.836 5.883 1.00 0.00 C ATOM 681 C GLU A 48 -9.592 2.912 6.011 1.00 0.00 C ATOM 682 O GLU A 48 -9.817 3.968 6.610 1.00 0.00 O ATOM 683 CB GLU A 48 -10.316 0.549 6.666 1.00 0.00 C ATOM 684 CG GLU A 48 -11.361 -0.580 6.566 1.00 0.00 C ATOM 685 CD GLU A 48 -10.951 -1.858 7.314 1.00 0.00 C ATOM 686 OE1 GLU A 48 -11.220 -1.964 8.530 1.00 0.00 O ATOM 687 OE2 GLU A 48 -10.335 -2.754 6.697 1.00 0.00 O ATOM 0 H GLU A 48 -10.999 0.470 4.308 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.609 2.272 6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.361 0.182 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.169 0.804 7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.310 -0.223 6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.527 -0.820 5.516 1.00 0.00 H new ATOM 694 N PHE A 49 -8.417 2.660 5.387 1.00 0.00 N ATOM 695 CA PHE A 49 -7.292 3.630 5.395 1.00 0.00 C ATOM 696 C PHE A 49 -7.587 4.875 4.517 1.00 0.00 C ATOM 697 O PHE A 49 -7.243 6.003 4.893 1.00 0.00 O ATOM 698 CB PHE A 49 -5.953 2.981 4.961 1.00 0.00 C ATOM 699 CG PHE A 49 -4.813 4.003 4.874 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.387 4.689 6.018 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.218 4.332 3.651 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.400 5.655 5.941 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.237 5.306 3.578 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.828 5.960 4.723 1.00 0.00 C ATOM 0 H PHE A 49 -8.222 1.800 4.875 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.190 3.957 6.430 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.684 2.199 5.671 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.082 2.500 3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.835 4.461 6.974 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.528 3.819 2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.077 6.170 6.834 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.792 5.554 2.626 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.057 6.714 4.665 1.00 0.00 H new ATOM 714 N LEU A 50 -8.200 4.660 3.346 1.00 0.00 N ATOM 715 CA LEU A 50 -8.522 5.753 2.393 1.00 0.00 C ATOM 716 C LEU A 50 -9.541 6.758 3.006 1.00 0.00 C ATOM 717 O LEU A 50 -9.581 7.929 2.618 1.00 0.00 O ATOM 718 CB LEU A 50 -8.989 5.170 1.020 1.00 0.00 C ATOM 719 CG LEU A 50 -7.863 4.579 0.107 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.207 3.334 0.717 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.401 4.296 -1.310 1.00 0.00 C ATOM 0 H LEU A 50 -8.488 3.736 3.026 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.614 6.324 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.723 4.387 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.500 5.959 0.468 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.080 5.334 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.433 2.964 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.760 3.592 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.961 2.560 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.602 3.886 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.219 3.578 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.763 5.224 -1.754 1.00 0.00 H new ATOM 733 N LEU A 51 -10.339 6.279 3.987 1.00 0.00 N ATOM 734 CA LEU A 51 -11.226 7.124 4.816 1.00 0.00 C ATOM 735 C LEU A 51 -10.401 7.991 5.805 1.00 0.00 C ATOM 736 O LEU A 51 -10.656 9.187 5.931 1.00 0.00 O ATOM 737 CB LEU A 51 -12.247 6.244 5.591 1.00 0.00 C ATOM 738 CG LEU A 51 -13.301 5.487 4.732 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.211 4.598 5.611 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.122 6.465 3.865 1.00 0.00 C ATOM 0 H LEU A 51 -10.385 5.289 4.227 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.774 7.792 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.691 5.510 6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.777 6.880 6.300 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.763 4.825 4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.936 4.083 4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.602 3.863 6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.737 5.220 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.850 5.906 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.643 7.173 4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.454 7.007 3.196 1.00 0.00 H new ATOM 752 N PHE A 52 -9.404 7.371 6.496 1.00 0.00 N ATOM 753 CA PHE A 52 -8.455 8.102 7.398 1.00 0.00 C ATOM 754 C PHE A 52 -7.683 9.205 6.627 1.00 0.00 C ATOM 755 O PHE A 52 -7.324 10.247 7.191 1.00 0.00 O ATOM 756 CB PHE A 52 -7.436 7.122 8.056 1.00 0.00 C ATOM 757 CG PHE A 52 -8.054 6.009 8.907 1.00 0.00 C ATOM 758 CD1 PHE A 52 -9.034 6.294 9.856 1.00 0.00 C ATOM 759 CD2 PHE A 52 -7.659 4.678 8.756 1.00 0.00 C ATOM 760 CE1 PHE A 52 -9.597 5.289 10.620 1.00 0.00 C ATOM 761 CE2 PHE A 52 -8.227 3.674 9.518 1.00 0.00 C ATOM 762 CZ PHE A 52 -9.192 3.981 10.451 1.00 0.00 C ATOM 0 H PHE A 52 -9.233 6.367 6.448 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.054 8.570 8.180 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.837 6.665 7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.754 7.699 8.681 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.358 7.315 9.996 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.897 4.429 8.032 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.355 5.528 11.351 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.914 2.649 9.382 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.632 3.198 11.051 1.00 0.00 H new ATOM 772 N SER A 53 -7.436 8.942 5.330 1.00 0.00 N ATOM 773 CA SER A 53 -6.839 9.924 4.403 1.00 0.00 C ATOM 774 C SER A 53 -7.844 11.053 4.069 1.00 0.00 C ATOM 775 O SER A 53 -7.478 12.225 4.052 1.00 0.00 O ATOM 776 CB SER A 53 -6.366 9.223 3.108 1.00 0.00 C ATOM 777 OG SER A 53 -5.375 8.235 3.378 1.00 0.00 O ATOM 0 H SER A 53 -7.644 8.043 4.895 1.00 0.00 H new ATOM 0 HA SER A 53 -5.976 10.373 4.894 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.219 8.758 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.963 9.965 2.419 1.00 0.00 H new ATOM 0 HG SER A 53 -5.783 7.485 3.859 1.00 0.00 H new ATOM 1109 N ALA A 74 -10.222 2.321 -3.346 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.189 1.061 -2.584 1.00 0.00 C ATOM 1111 C ALA A 74 -10.632 -0.140 -3.451 1.00 0.00 C ATOM 1112 O ALA A 74 -11.713 -0.116 -4.060 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.072 1.190 -1.343 1.00 0.00 C ATOM 0 HA ALA A 74 -9.161 0.872 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.047 0.257 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.703 2.002 -0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.097 1.403 -1.646 1.00 0.00 H new ATOM 1119 N GLY A 75 -9.777 -1.174 -3.510 1.00 0.00 N ATOM 1120 CA GLY A 75 -10.035 -2.379 -4.318 1.00 0.00 C ATOM 1121 C GLY A 75 -9.424 -2.341 -5.729 1.00 0.00 C ATOM 1122 O GLY A 75 -9.536 -3.319 -6.479 1.00 0.00 O ATOM 0 H GLY A 75 -8.893 -1.199 -3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.643 -3.247 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.112 -2.519 -4.406 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.780 -1.217 -6.091 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.035 -1.087 -7.363 1.00 0.00 C ATOM 1128 C ASP A 76 -6.525 -1.345 -7.137 1.00 0.00 C ATOM 1129 O ASP A 76 -5.895 -0.679 -6.307 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.258 0.323 -7.984 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.704 0.611 -8.430 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -10.480 -0.341 -8.681 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -10.066 1.800 -8.585 1.00 0.00 O ATOM 0 H ASP A 76 -8.759 -0.375 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.412 -1.835 -8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.961 1.077 -7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.598 0.434 -8.845 1.00 0.00 H new ATOM 1138 N ARG A 77 -5.951 -2.325 -7.866 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.499 -2.624 -7.798 1.00 0.00 C ATOM 1140 C ARG A 77 -3.810 -2.320 -9.180 1.00 0.00 C ATOM 1141 O ARG A 77 -3.781 -3.151 -10.091 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.251 -4.098 -7.265 1.00 0.00 C ATOM 1143 CG ARG A 77 -4.460 -5.312 -8.222 1.00 0.00 C ATOM 1144 CD ARG A 77 -5.847 -5.388 -8.890 1.00 0.00 C ATOM 1145 NE ARG A 77 -6.947 -5.605 -7.943 1.00 0.00 N ATOM 1146 CZ ARG A 77 -8.173 -5.973 -8.272 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -8.521 -6.155 -9.514 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -9.046 -6.158 -7.341 1.00 0.00 N ATOM 0 H ARG A 77 -6.468 -2.924 -8.509 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.024 -1.964 -7.072 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.225 -4.144 -6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.902 -4.247 -6.404 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.700 -5.274 -9.002 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.294 -6.231 -7.659 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.028 -4.463 -9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.844 -6.196 -9.621 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.750 -5.460 -6.953 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.840 -6.013 -10.260 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.474 -6.439 -9.740 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.787 -6.020 -6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.996 -6.442 -7.582 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.309 -1.074 -9.334 1.00 0.00 N ATOM 1163 CA TRP A 78 -2.620 -0.616 -10.574 1.00 0.00 C ATOM 1164 C TRP A 78 -2.004 0.781 -10.353 1.00 0.00 C ATOM 1165 O TRP A 78 -2.721 1.689 -9.972 1.00 0.00 O ATOM 1166 CB TRP A 78 -3.594 -0.568 -11.790 1.00 0.00 C ATOM 1167 CG TRP A 78 -2.907 -0.204 -13.092 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -2.161 -1.034 -13.883 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -2.886 1.083 -13.736 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -1.677 -0.345 -14.962 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -2.109 0.953 -14.897 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -3.451 2.329 -13.434 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -1.875 2.019 -15.758 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -3.220 3.389 -14.293 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -2.436 3.226 -15.446 1.00 0.00 C ATOM 0 H TRP A 78 -3.367 -0.357 -8.611 1.00 0.00 H new ATOM 0 HA TRP A 78 -1.833 -1.336 -10.797 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.075 -1.540 -11.900 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.382 0.157 -11.587 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -1.980 -2.080 -13.685 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -1.088 -0.736 -15.697 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -4.055 2.460 -12.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.270 1.898 -16.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -3.649 4.355 -14.073 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -2.273 4.070 -16.099 1.00 0.00 H new ATOM 1186 N CYS A 79 -0.681 0.933 -10.587 1.00 0.00 N ATOM 1187 CA CYS A 79 0.052 2.237 -10.450 1.00 0.00 C ATOM 1188 C CYS A 79 -0.199 2.960 -9.090 1.00 0.00 C ATOM 1189 O CYS A 79 -0.056 4.188 -8.990 1.00 0.00 O ATOM 1190 CB CYS A 79 -0.254 3.169 -11.649 1.00 0.00 C ATOM 1191 SG CYS A 79 0.399 2.581 -13.232 1.00 0.00 S ATOM 0 H CYS A 79 -0.080 0.161 -10.877 1.00 0.00 H new ATOM 0 HA CYS A 79 1.114 1.990 -10.458 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.334 3.288 -11.736 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.160 4.156 -11.442 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.577 2.134 -13.965 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.535 2.168 -8.051 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.748 2.668 -6.680 1.00 0.00 C ATOM 1199 C LEU A 80 0.598 3.188 -6.131 1.00 0.00 C ATOM 1200 O LEU A 80 1.559 2.424 -6.036 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.359 1.531 -5.766 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.738 1.869 -4.264 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.519 1.846 -3.310 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.517 3.202 -4.165 1.00 0.00 C ATOM 0 H LEU A 80 -0.666 1.161 -8.141 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.465 3.489 -6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.260 1.163 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.647 0.706 -5.747 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.398 1.070 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.845 2.085 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.067 0.854 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.214 2.582 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.761 3.404 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.903 4.012 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.437 3.130 -4.746 1.00 0.00 H new ATOM 1216 N CYS A 81 0.657 4.491 -5.805 1.00 0.00 N ATOM 1217 CA CYS A 81 1.861 5.122 -5.233 1.00 0.00 C ATOM 1218 C CYS A 81 2.215 4.481 -3.869 1.00 0.00 C ATOM 1219 O CYS A 81 1.529 4.697 -2.864 1.00 0.00 O ATOM 1220 CB CYS A 81 1.645 6.649 -5.112 1.00 0.00 C ATOM 1221 SG CYS A 81 0.074 7.115 -4.333 1.00 0.00 S ATOM 0 H CYS A 81 -0.124 5.135 -5.930 1.00 0.00 H new ATOM 0 HA CYS A 81 2.708 4.953 -5.898 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.465 7.077 -4.535 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.690 7.092 -6.107 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.014 8.411 -4.275 1.00 0.00 H new ATOM 1227 N ALA A 82 3.287 3.656 -3.885 1.00 0.00 N ATOM 1228 CA ALA A 82 3.770 2.863 -2.722 1.00 0.00 C ATOM 1229 C ALA A 82 4.059 3.716 -1.461 1.00 0.00 C ATOM 1230 O ALA A 82 4.094 3.180 -0.360 1.00 0.00 O ATOM 1231 CB ALA A 82 5.017 2.053 -3.111 1.00 0.00 C ATOM 0 H ALA A 82 3.854 3.517 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 82 2.955 2.190 -2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.360 1.478 -2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.770 1.374 -3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.807 2.732 -3.431 1.00 0.00 H new ATOM 1237 N SER A 83 4.327 5.020 -1.651 1.00 0.00 N ATOM 1238 CA SER A 83 4.494 5.993 -0.541 1.00 0.00 C ATOM 1239 C SER A 83 3.227 6.084 0.367 1.00 0.00 C ATOM 1240 O SER A 83 3.351 6.221 1.582 1.00 0.00 O ATOM 1241 CB SER A 83 4.829 7.390 -1.114 1.00 0.00 C ATOM 1242 OG SER A 83 5.998 7.350 -1.926 1.00 0.00 O ATOM 0 H SER A 83 4.435 5.436 -2.576 1.00 0.00 H new ATOM 0 HA SER A 83 5.315 5.637 0.081 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.987 7.755 -1.702 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.976 8.095 -0.296 1.00 0.00 H new ATOM 0 HG SER A 83 6.184 8.246 -2.276 1.00 0.00 H new ATOM 1248 N ARG A 84 2.023 6.025 -0.249 1.00 0.00 N ATOM 1249 CA ARG A 84 0.716 6.064 0.477 1.00 0.00 C ATOM 1250 C ARG A 84 0.395 4.725 1.190 1.00 0.00 C ATOM 1251 O ARG A 84 -0.205 4.715 2.273 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.436 6.433 -0.492 1.00 0.00 C ATOM 1253 CG ARG A 84 -0.311 7.832 -1.131 1.00 0.00 C ATOM 1254 CD ARG A 84 -0.220 8.957 -0.086 1.00 0.00 C ATOM 1255 NE ARG A 84 -1.369 8.967 0.838 1.00 0.00 N ATOM 1256 CZ ARG A 84 -2.345 9.850 0.848 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -2.402 10.816 -0.021 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -3.261 9.767 1.753 1.00 0.00 N ATOM 0 H ARG A 84 1.922 5.949 -1.261 1.00 0.00 H new ATOM 0 HA ARG A 84 0.806 6.833 1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.479 5.687 -1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.381 6.378 0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.575 7.859 -1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.171 8.010 -1.776 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.701 8.843 0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.161 9.918 -0.597 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.411 8.222 1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.678 10.904 -0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.170 11.486 0.011 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.223 9.023 2.450 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.023 10.445 1.771 1.00 0.00 H new ATOM 1272 N TRP A 85 0.776 3.607 0.556 1.00 0.00 N ATOM 1273 CA TRP A 85 0.678 2.262 1.165 1.00 0.00 C ATOM 1274 C TRP A 85 1.631 2.175 2.395 1.00 0.00 C ATOM 1275 O TRP A 85 1.236 1.719 3.478 1.00 0.00 O ATOM 1276 CB TRP A 85 0.958 1.173 0.070 1.00 0.00 C ATOM 1277 CG TRP A 85 1.516 -0.127 0.596 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.675 -0.714 0.211 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.966 -0.970 1.628 1.00 0.00 C ATOM 1280 NE1 TRP A 85 2.917 -1.822 0.975 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.881 -2.006 1.837 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.195 -0.935 2.403 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.681 -2.992 2.788 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.391 -1.917 3.337 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.540 -2.931 3.525 1.00 0.00 C ATOM 0 H TRP A 85 1.160 3.603 -0.389 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.328 2.075 1.541 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.029 0.965 -0.461 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.657 1.583 -0.659 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.314 -0.359 -0.583 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.743 -2.416 0.909 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.924 -0.149 2.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.404 -3.780 2.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.287 -1.903 3.940 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.353 -3.687 4.273 1.00 0.00 H new ATOM 1296 N GLN A 86 2.868 2.660 2.206 1.00 0.00 N ATOM 1297 CA GLN A 86 3.877 2.788 3.282 1.00 0.00 C ATOM 1298 C GLN A 86 3.347 3.672 4.426 1.00 0.00 C ATOM 1299 O GLN A 86 3.487 3.329 5.594 1.00 0.00 O ATOM 1300 CB GLN A 86 5.193 3.391 2.708 1.00 0.00 C ATOM 1301 CG GLN A 86 6.343 3.575 3.731 1.00 0.00 C ATOM 1302 CD GLN A 86 6.774 2.272 4.411 1.00 0.00 C ATOM 1303 OE1 GLN A 86 7.652 1.568 3.935 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.162 1.946 5.532 1.00 0.00 N ATOM 0 H GLN A 86 3.204 2.978 1.297 1.00 0.00 H new ATOM 0 HA GLN A 86 4.082 1.795 3.682 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.546 2.747 1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.965 4.361 2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.203 4.012 3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.028 4.287 4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.432 2.551 5.909 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.418 1.089 6.022 1.00 0.00 H new ATOM 1313 N GLU A 87 2.714 4.794 4.048 1.00 0.00 N ATOM 1314 CA GLU A 87 2.127 5.784 4.984 1.00 0.00 C ATOM 1315 C GLU A 87 1.114 5.129 5.966 1.00 0.00 C ATOM 1316 O GLU A 87 1.055 5.501 7.144 1.00 0.00 O ATOM 1317 CB GLU A 87 1.424 6.894 4.165 1.00 0.00 C ATOM 1318 CG GLU A 87 0.759 8.021 4.982 1.00 0.00 C ATOM 1319 CD GLU A 87 -0.084 8.952 4.099 1.00 0.00 C ATOM 1320 OE1 GLU A 87 -1.185 8.532 3.684 1.00 0.00 O ATOM 1321 OE2 GLU A 87 0.333 10.093 3.808 1.00 0.00 O ATOM 0 H GLU A 87 2.590 5.049 3.068 1.00 0.00 H new ATOM 0 HA GLU A 87 2.933 6.206 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.157 7.343 3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.663 6.429 3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.127 7.584 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.528 8.602 5.491 1.00 0.00 H new ATOM 1328 N ALA A 88 0.321 4.162 5.459 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.609 3.368 6.294 1.00 0.00 C ATOM 1330 C ALA A 88 0.127 2.525 7.359 1.00 0.00 C ATOM 1331 O ALA A 88 -0.348 2.410 8.482 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.502 2.487 5.420 1.00 0.00 C ATOM 0 H ALA A 88 0.305 3.910 4.471 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.238 4.076 6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.178 1.912 6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.084 3.115 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.882 1.805 4.838 1.00 0.00 H new ATOM 1338 N PHE A 89 1.281 1.939 7.000 1.00 0.00 N ATOM 1339 CA PHE A 89 2.147 1.210 7.970 1.00 0.00 C ATOM 1340 C PHE A 89 2.789 2.177 8.995 1.00 0.00 C ATOM 1341 O PHE A 89 2.874 1.869 10.191 1.00 0.00 O ATOM 1342 CB PHE A 89 3.232 0.410 7.214 1.00 0.00 C ATOM 1343 CG PHE A 89 4.232 -0.335 8.109 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.866 -1.509 8.771 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.538 0.143 8.291 1.00 0.00 C ATOM 1346 CE1 PHE A 89 4.767 -2.180 9.580 1.00 0.00 C ATOM 1347 CE2 PHE A 89 6.437 -0.530 9.099 1.00 0.00 C ATOM 1348 CZ PHE A 89 6.052 -1.691 9.745 1.00 0.00 C ATOM 0 H PHE A 89 1.645 1.950 6.047 1.00 0.00 H new ATOM 0 HA PHE A 89 1.521 0.514 8.528 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.741 -0.314 6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.784 1.095 6.570 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.866 -1.899 8.650 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.847 1.050 7.793 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.467 -3.087 10.084 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.440 -0.149 9.225 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.753 -2.216 10.377 1.00 0.00 H new ATOM 1358 N GLU A 90 3.217 3.346 8.503 1.00 0.00 N ATOM 1359 CA GLU A 90 3.840 4.410 9.321 1.00 0.00 C ATOM 1360 C GLU A 90 2.857 4.973 10.377 1.00 0.00 C ATOM 1361 O GLU A 90 3.258 5.358 11.480 1.00 0.00 O ATOM 1362 CB GLU A 90 4.342 5.533 8.376 1.00 0.00 C ATOM 1363 CG GLU A 90 5.427 5.089 7.368 1.00 0.00 C ATOM 1364 CD GLU A 90 6.745 4.671 8.038 1.00 0.00 C ATOM 1365 OE1 GLU A 90 7.543 5.566 8.402 1.00 0.00 O ATOM 1366 OE2 GLU A 90 6.984 3.457 8.219 1.00 0.00 O ATOM 0 H GLU A 90 3.143 3.589 7.515 1.00 0.00 H new ATOM 0 HA GLU A 90 4.680 3.987 9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.492 5.931 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.739 6.348 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.046 4.254 6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.624 5.906 6.673 1.00 0.00 H new ATOM 1373 N ALA A 91 1.565 5.006 10.012 1.00 0.00 N ATOM 1374 CA ALA A 91 0.466 5.425 10.909 1.00 0.00 C ATOM 1375 C ALA A 91 -0.183 4.218 11.644 1.00 0.00 C ATOM 1376 O ALA A 91 -0.911 4.401 12.624 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.570 6.201 10.091 1.00 0.00 C ATOM 0 H ALA A 91 1.247 4.741 9.080 1.00 0.00 H new ATOM 0 HA ALA A 91 0.875 6.069 11.687 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.386 6.516 10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.100 7.079 9.648 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.962 5.562 9.300 1.00 0.00 H new ATOM 1383 N GLY A 92 0.081 2.992 11.145 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.387 1.745 11.790 1.00 0.00 C ATOM 1385 C GLY A 92 -1.574 1.050 11.092 1.00 0.00 C ATOM 1386 O GLY A 92 -1.778 -0.151 11.274 1.00 0.00 O ATOM 0 H GLY A 92 0.619 2.838 10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.447 1.044 11.837 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.672 1.971 12.817 1.00 0.00 H new ATOM 1390 N MET A 93 -2.348 1.789 10.270 1.00 0.00 N ATOM 1391 CA MET A 93 -3.598 1.270 9.625 1.00 0.00 C ATOM 1392 C MET A 93 -3.338 0.605 8.238 1.00 0.00 C ATOM 1393 O MET A 93 -4.197 0.668 7.345 1.00 0.00 O ATOM 1394 CB MET A 93 -4.629 2.420 9.475 1.00 0.00 C ATOM 1395 CG MET A 93 -4.957 3.171 10.774 1.00 0.00 C ATOM 1396 SD MET A 93 -3.757 4.457 11.175 1.00 0.00 S ATOM 1397 CE MET A 93 -4.091 5.649 9.872 1.00 0.00 C ATOM 0 H MET A 93 -2.136 2.757 10.028 1.00 0.00 H new ATOM 0 HA MET A 93 -3.993 0.492 10.279 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.249 3.135 8.745 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.553 2.009 9.068 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.946 3.621 10.686 1.00 0.00 H new ATOM 0 HG3 MET A 93 -5.003 2.457 11.597 1.00 0.00 H new ATOM 0 HE1 MET A 93 -3.724 6.630 10.173 1.00 0.00 H new ATOM 0 HE2 MET A 93 -3.587 5.338 8.957 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.165 5.702 9.694 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.163 -0.036 8.087 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.752 -0.761 6.857 1.00 0.00 C ATOM 1409 C ALA A 94 -2.766 -1.863 6.390 1.00 0.00 C ATOM 1410 O ALA A 94 -2.959 -2.865 7.090 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.360 -1.366 7.068 1.00 0.00 C ATOM 0 H ALA A 94 -1.458 -0.068 8.824 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.734 -0.026 6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.055 -1.899 6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.354 -0.570 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.388 -2.060 7.908 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.443 -1.664 5.205 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.324 -2.696 4.558 1.00 0.00 C ATOM 1419 C PRO A 95 -3.602 -4.036 4.183 1.00 0.00 C ATOM 1420 O PRO A 95 -2.376 -4.141 4.297 1.00 0.00 O ATOM 1421 CB PRO A 95 -4.805 -1.966 3.268 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.718 -0.516 3.611 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.460 -0.394 4.424 1.00 0.00 C ATOM 0 HA PRO A 95 -5.113 -3.017 5.238 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.174 -2.211 2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.823 -2.252 3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.672 0.102 2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.590 -0.190 4.178 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.578 -0.297 3.791 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.483 0.480 5.075 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.363 -5.099 3.751 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.769 -6.319 3.150 1.00 0.00 C ATOM 1433 C PRO A 96 -3.400 -6.110 1.646 1.00 0.00 C ATOM 1434 O PRO A 96 -4.283 -5.919 0.799 1.00 0.00 O ATOM 1435 CB PRO A 96 -4.889 -7.398 3.333 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.013 -6.715 4.077 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.836 -5.237 3.837 1.00 0.00 C ATOM 0 HA PRO A 96 -2.828 -6.604 3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.231 -7.772 2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.516 -8.256 3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.983 -7.055 3.715 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.972 -6.945 5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.328 -4.913 2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.252 -4.641 4.649 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.093 -6.128 1.335 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.566 -5.941 -0.043 1.00 0.00 C ATOM 1447 C VAL A 97 -1.226 -7.310 -0.689 1.00 0.00 C ATOM 1448 O VAL A 97 -1.026 -8.313 0.002 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.294 -5.000 -0.032 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.844 -5.604 0.817 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.212 -4.647 -1.461 1.00 0.00 C ATOM 0 H VAL A 97 -1.362 -6.273 2.031 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.341 -5.462 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.612 -4.065 0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.703 -4.933 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.502 -5.735 1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.132 -6.571 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.086 -4.000 -1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.482 -5.562 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.577 -4.132 -2.009 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.210 -7.344 -2.026 1.00 0.00 N ATOM 1462 CA VAL A 98 -0.764 -8.521 -2.802 1.00 0.00 C ATOM 1463 C VAL A 98 0.783 -8.592 -2.925 1.00 0.00 C ATOM 1464 O VAL A 98 1.500 -7.624 -2.648 1.00 0.00 O ATOM 1465 CB VAL A 98 -1.397 -8.520 -4.246 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.941 -8.560 -4.187 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -0.908 -7.307 -5.074 1.00 0.00 C ATOM 0 H VAL A 98 -1.505 -6.559 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.106 -9.398 -2.253 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.060 -9.427 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.344 -8.558 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.262 -9.464 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.307 -7.686 -3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.363 -7.335 -6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.193 -6.384 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.177 -7.347 -5.172 1.00 0.00 H new ATOM 1477 N LEU A 99 1.278 -9.773 -3.318 1.00 0.00 N ATOM 1478 CA LEU A 99 2.660 -9.966 -3.825 1.00 0.00 C ATOM 1479 C LEU A 99 2.627 -10.342 -5.330 1.00 0.00 C ATOM 1480 O LEU A 99 3.658 -10.312 -6.007 1.00 0.00 O ATOM 1481 CB LEU A 99 3.397 -11.067 -3.007 1.00 0.00 C ATOM 1482 CG LEU A 99 3.751 -10.705 -1.529 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.404 -11.893 -0.793 1.00 0.00 C ATOM 1484 CD2 LEU A 99 4.655 -9.458 -1.466 1.00 0.00 C ATOM 0 H LEU A 99 0.732 -10.635 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 99 3.207 -9.030 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.777 -11.963 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.320 -11.322 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 99 2.816 -10.475 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.636 -11.603 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.716 -12.738 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.322 -12.178 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.886 -9.228 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.580 -9.651 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.139 -8.611 -1.919 1.00 0.00 H new ATOM 1496 N GLN A 100 1.425 -10.709 -5.833 1.00 0.00 N ATOM 1497 CA GLN A 100 1.210 -11.104 -7.243 1.00 0.00 C ATOM 1498 C GLN A 100 1.309 -9.881 -8.189 1.00 0.00 C ATOM 1499 O GLN A 100 2.275 -9.747 -8.942 1.00 0.00 O ATOM 1500 CB GLN A 100 -0.171 -11.800 -7.392 1.00 0.00 C ATOM 1501 CG GLN A 100 -0.342 -13.081 -6.556 1.00 0.00 C ATOM 1502 CD GLN A 100 -1.714 -13.735 -6.740 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -1.909 -14.565 -7.623 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -2.680 -13.358 -5.920 1.00 0.00 N ATOM 0 H GLN A 100 0.575 -10.739 -5.270 1.00 0.00 H new ATOM 0 HA GLN A 100 1.994 -11.806 -7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.951 -11.092 -7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.327 -12.045 -8.443 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.435 -13.795 -6.831 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.197 -12.843 -5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.492 -12.666 -5.194 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.613 -13.759 -6.013 1.00 0.00 H new ATOM 1513 N SER A 101 0.305 -8.985 -8.121 1.00 0.00 N ATOM 1514 CA SER A 101 0.245 -7.760 -8.968 1.00 0.00 C ATOM 1515 C SER A 101 1.382 -6.760 -8.628 1.00 0.00 C ATOM 1516 O SER A 101 1.861 -6.031 -9.506 1.00 0.00 O ATOM 1517 CB SER A 101 -1.138 -7.081 -8.820 1.00 0.00 C ATOM 1518 OG SER A 101 -1.268 -5.947 -9.662 1.00 0.00 O ATOM 0 H SER A 101 -0.486 -9.081 -7.484 1.00 0.00 H new ATOM 0 HA SER A 101 0.387 -8.067 -10.004 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.922 -7.800 -9.058 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.285 -6.781 -7.783 1.00 0.00 H new ATOM 0 HG SER A 101 -2.016 -6.083 -10.280 1.00 0.00 H new ATOM 1524 N THR A 102 1.797 -6.742 -7.345 1.00 0.00 N ATOM 1525 CA THR A 102 2.937 -5.914 -6.858 1.00 0.00 C ATOM 1526 C THR A 102 4.279 -6.322 -7.528 1.00 0.00 C ATOM 1527 O THR A 102 4.657 -7.495 -7.515 1.00 0.00 O ATOM 1528 CB THR A 102 3.071 -5.997 -5.293 1.00 0.00 C ATOM 1529 OG1 THR A 102 1.841 -5.587 -4.667 1.00 0.00 O ATOM 1530 CG2 THR A 102 4.209 -5.113 -4.754 1.00 0.00 C ATOM 0 H THR A 102 1.357 -7.298 -6.612 1.00 0.00 H new ATOM 0 HA THR A 102 2.719 -4.884 -7.139 1.00 0.00 H new ATOM 0 HB THR A 102 3.299 -7.036 -5.054 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.605 -6.224 -3.960 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.259 -5.206 -3.669 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.156 -5.432 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.019 -4.073 -5.021 1.00 0.00 H new ATOM 1538 N GLU A 103 4.983 -5.326 -8.103 1.00 0.00 N ATOM 1539 CA GLU A 103 6.249 -5.533 -8.858 1.00 0.00 C ATOM 1540 C GLU A 103 7.487 -5.217 -7.963 1.00 0.00 C ATOM 1541 O GLU A 103 7.360 -4.585 -6.908 1.00 0.00 O ATOM 1542 CB GLU A 103 6.219 -4.632 -10.146 1.00 0.00 C ATOM 1543 CG GLU A 103 6.898 -5.191 -11.423 1.00 0.00 C ATOM 1544 CD GLU A 103 8.435 -5.237 -11.371 1.00 0.00 C ATOM 1545 OE1 GLU A 103 9.062 -4.172 -11.203 1.00 0.00 O ATOM 1546 OE2 GLU A 103 9.010 -6.345 -11.442 1.00 0.00 O ATOM 0 H GLU A 103 4.693 -4.349 -8.060 1.00 0.00 H new ATOM 0 HA GLU A 103 6.336 -6.578 -9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.177 -4.419 -10.384 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.691 -3.680 -9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.525 -6.199 -11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.596 -4.581 -12.274 1.00 0.00 H new ATOM 1553 N LYS A 104 8.667 -5.672 -8.411 1.00 0.00 N ATOM 1554 CA LYS A 104 9.980 -5.428 -7.771 1.00 0.00 C ATOM 1555 C LYS A 104 10.282 -3.914 -7.519 1.00 0.00 C ATOM 1556 O LYS A 104 10.935 -3.564 -6.525 1.00 0.00 O ATOM 1557 CB LYS A 104 11.077 -6.084 -8.669 1.00 0.00 C ATOM 1558 CG LYS A 104 12.510 -6.063 -8.109 1.00 0.00 C ATOM 1559 CD LYS A 104 12.610 -6.689 -6.703 1.00 0.00 C ATOM 1560 CE LYS A 104 12.180 -8.170 -6.632 1.00 0.00 C ATOM 1561 NZ LYS A 104 13.084 -9.056 -7.403 1.00 0.00 N ATOM 0 H LYS A 104 8.742 -6.239 -9.256 1.00 0.00 H new ATOM 0 HA LYS A 104 9.970 -5.878 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.795 -7.121 -8.853 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.078 -5.578 -9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.169 -6.602 -8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.865 -5.033 -8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.639 -6.605 -6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.992 -6.111 -6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.162 -8.491 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.164 -8.270 -7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.755 -10.040 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.083 -8.768 -8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.049 -8.983 -7.023 1.00 0.00 H new ATOM 1575 N SER A 105 9.790 -3.027 -8.409 1.00 0.00 N ATOM 1576 CA SER A 105 9.965 -1.548 -8.270 1.00 0.00 C ATOM 1577 C SER A 105 9.338 -0.972 -6.966 1.00 0.00 C ATOM 1578 O SER A 105 9.772 0.082 -6.479 1.00 0.00 O ATOM 1579 CB SER A 105 9.395 -0.812 -9.498 1.00 0.00 C ATOM 1580 OG SER A 105 10.046 -1.199 -10.698 1.00 0.00 O ATOM 0 H SER A 105 9.264 -3.302 -9.239 1.00 0.00 H new ATOM 0 HA SER A 105 11.040 -1.377 -8.207 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.328 -1.018 -9.581 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.502 0.264 -9.358 1.00 0.00 H new ATOM 0 HG SER A 105 9.377 -1.469 -11.361 1.00 0.00 H new ATOM 1586 N ALA A 106 8.308 -1.656 -6.422 1.00 0.00 N ATOM 1587 CA ALA A 106 7.654 -1.271 -5.139 1.00 0.00 C ATOM 1588 C ALA A 106 8.634 -1.289 -3.941 1.00 0.00 C ATOM 1589 O ALA A 106 8.519 -0.473 -3.019 1.00 0.00 O ATOM 1590 CB ALA A 106 6.469 -2.203 -4.858 1.00 0.00 C ATOM 0 H ALA A 106 7.904 -2.488 -6.853 1.00 0.00 H new ATOM 0 HA ALA A 106 7.304 -0.245 -5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.995 -1.916 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.744 -2.125 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.824 -3.231 -4.786 1.00 0.00 H new ATOM 1596 N LEU A 107 9.600 -2.220 -3.985 1.00 0.00 N ATOM 1597 CA LEU A 107 10.611 -2.418 -2.913 1.00 0.00 C ATOM 1598 C LEU A 107 11.499 -1.164 -2.704 1.00 0.00 C ATOM 1599 O LEU A 107 12.031 -0.951 -1.613 1.00 0.00 O ATOM 1600 CB LEU A 107 11.494 -3.668 -3.216 1.00 0.00 C ATOM 1601 CG LEU A 107 10.842 -5.071 -2.966 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.582 -5.323 -3.826 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.883 -6.198 -3.148 1.00 0.00 C ATOM 0 H LEU A 107 9.709 -2.865 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 107 10.065 -2.585 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.805 -3.619 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.398 -3.601 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 107 10.501 -5.074 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.181 -6.312 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.830 -4.567 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.845 -5.268 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.409 -7.163 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.277 -6.169 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.699 -6.058 -2.439 1.00 0.00 H new ATOM 1615 N ARG A 108 11.616 -0.335 -3.753 1.00 0.00 N ATOM 1616 CA ARG A 108 12.416 0.916 -3.737 1.00 0.00 C ATOM 1617 C ARG A 108 11.734 2.057 -2.932 1.00 0.00 C ATOM 1618 O ARG A 108 12.349 3.097 -2.672 1.00 0.00 O ATOM 1619 CB ARG A 108 12.662 1.367 -5.197 1.00 0.00 C ATOM 1620 CG ARG A 108 13.342 0.297 -6.082 1.00 0.00 C ATOM 1621 CD ARG A 108 13.655 0.811 -7.495 1.00 0.00 C ATOM 1622 NE ARG A 108 14.536 1.997 -7.459 1.00 0.00 N ATOM 1623 CZ ARG A 108 15.425 2.324 -8.368 1.00 0.00 C ATOM 1624 NH1 ARG A 108 15.656 1.561 -9.392 1.00 0.00 N ATOM 1625 NH2 ARG A 108 16.104 3.415 -8.225 1.00 0.00 N ATOM 0 H ARG A 108 11.157 -0.509 -4.647 1.00 0.00 H new ATOM 0 HA ARG A 108 13.360 0.705 -3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.708 1.642 -5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.281 2.264 -5.189 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.266 -0.030 -5.605 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.694 -0.576 -6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.132 0.020 -8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.725 1.063 -8.006 1.00 0.00 H new ATOM 0 HE ARG A 108 14.445 2.618 -6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.142 0.687 -9.503 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.351 1.835 -10.086 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.946 4.011 -7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.797 3.680 -8.925 1.00 0.00 H new ATOM 1639 N TYR A 109 10.450 1.860 -2.575 1.00 0.00 N ATOM 1640 CA TYR A 109 9.636 2.847 -1.821 1.00 0.00 C ATOM 1641 C TYR A 109 9.214 2.301 -0.432 1.00 0.00 C ATOM 1642 O TYR A 109 9.352 2.989 0.586 1.00 0.00 O ATOM 1643 CB TYR A 109 8.359 3.204 -2.630 1.00 0.00 C ATOM 1644 CG TYR A 109 8.597 3.946 -3.951 1.00 0.00 C ATOM 1645 CD1 TYR A 109 9.008 3.270 -5.107 1.00 0.00 C ATOM 1646 CD2 TYR A 109 8.399 5.325 -4.040 1.00 0.00 C ATOM 1647 CE1 TYR A 109 9.208 3.947 -6.296 1.00 0.00 C ATOM 1648 CE2 TYR A 109 8.598 6.004 -5.222 1.00 0.00 C ATOM 1649 CZ TYR A 109 9.007 5.315 -6.347 1.00 0.00 C ATOM 1650 OH TYR A 109 9.208 5.993 -7.528 1.00 0.00 O ATOM 0 H TYR A 109 9.940 1.006 -2.801 1.00 0.00 H new ATOM 0 HA TYR A 109 10.252 3.734 -1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.817 2.283 -2.844 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.712 3.816 -2.002 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.171 2.203 -5.069 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.083 5.871 -3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.519 3.411 -7.180 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.435 7.071 -5.269 1.00 0.00 H new ATOM 0 HH TYR A 109 9.023 6.946 -7.394 1.00 0.00 H new ATOM 1660 N VAL A 110 8.673 1.065 -0.412 1.00 0.00 N ATOM 1661 CA VAL A 110 8.022 0.483 0.791 1.00 0.00 C ATOM 1662 C VAL A 110 8.803 -0.729 1.378 1.00 0.00 C ATOM 1663 O VAL A 110 8.685 -1.021 2.577 1.00 0.00 O ATOM 1664 CB VAL A 110 6.547 0.056 0.446 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.488 -1.072 -0.616 1.00 0.00 C ATOM 1666 CG2 VAL A 110 5.776 -0.338 1.719 1.00 0.00 C ATOM 0 H VAL A 110 8.672 0.443 -1.220 1.00 0.00 H new ATOM 0 HA VAL A 110 8.019 1.258 1.558 1.00 0.00 H new ATOM 0 HB VAL A 110 6.060 0.926 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.448 -1.328 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.962 -0.730 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.013 -1.951 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 110 4.760 -0.629 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.278 -1.175 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.744 0.511 2.402 1.00 0.00 H new ATOM 1676 N SER A 111 9.601 -1.397 0.514 1.00 0.00 N ATOM 1677 CA SER A 111 10.328 -2.665 0.821 1.00 0.00 C ATOM 1678 C SER A 111 9.394 -3.895 0.841 1.00 0.00 C ATOM 1679 O SER A 111 8.218 -3.805 1.206 1.00 0.00 O ATOM 1680 CB SER A 111 11.154 -2.597 2.136 1.00 0.00 C ATOM 1681 OG SER A 111 11.818 -3.825 2.420 1.00 0.00 O ATOM 0 H SER A 111 9.766 -1.069 -0.438 1.00 0.00 H new ATOM 0 HA SER A 111 11.033 -2.786 -0.001 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.891 -1.797 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.493 -2.343 2.965 1.00 0.00 H new ATOM 0 HG SER A 111 12.326 -3.737 3.253 1.00 0.00 H new ATOM 1687 N LEU A 112 9.964 -5.046 0.446 1.00 0.00 N ATOM 1688 CA LEU A 112 9.282 -6.360 0.439 1.00 0.00 C ATOM 1689 C LEU A 112 8.775 -6.760 1.841 1.00 0.00 C ATOM 1690 O LEU A 112 7.682 -7.299 1.964 1.00 0.00 O ATOM 1691 CB LEU A 112 10.258 -7.423 -0.157 1.00 0.00 C ATOM 1692 CG LEU A 112 9.912 -8.956 -0.010 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.426 -9.774 -1.219 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.482 -9.554 1.310 1.00 0.00 C ATOM 0 H LEU A 112 10.928 -5.095 0.116 1.00 0.00 H new ATOM 0 HA LEU A 112 8.391 -6.298 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.363 -7.211 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.235 -7.262 0.298 1.00 0.00 H new ATOM 0 HG LEU A 112 8.825 -9.025 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.170 -10.825 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.962 -9.403 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.509 -9.671 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.222 -10.611 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.567 -9.446 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.057 -9.024 2.163 1.00 0.00 H new ATOM 1706 N ALA A 113 9.574 -6.465 2.881 1.00 0.00 N ATOM 1707 CA ALA A 113 9.269 -6.859 4.281 1.00 0.00 C ATOM 1708 C ALA A 113 7.880 -6.352 4.757 1.00 0.00 C ATOM 1709 O ALA A 113 7.152 -7.070 5.450 1.00 0.00 O ATOM 1710 CB ALA A 113 10.380 -6.352 5.210 1.00 0.00 C ATOM 0 H ALA A 113 10.448 -5.949 2.783 1.00 0.00 H new ATOM 0 HA ALA A 113 9.228 -7.948 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.156 -6.641 6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.333 -6.788 4.910 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.442 -5.266 5.144 1.00 0.00 H new ATOM 1716 N ASP A 114 7.527 -5.118 4.347 1.00 0.00 N ATOM 1717 CA ASP A 114 6.211 -4.501 4.641 1.00 0.00 C ATOM 1718 C ASP A 114 5.082 -5.258 3.897 1.00 0.00 C ATOM 1719 O ASP A 114 4.043 -5.590 4.486 1.00 0.00 O ATOM 1720 CB ASP A 114 6.226 -3.012 4.212 1.00 0.00 C ATOM 1721 CG ASP A 114 5.125 -2.128 4.845 1.00 0.00 C ATOM 1722 OD1 ASP A 114 4.001 -2.613 5.104 1.00 0.00 O ATOM 1723 OD2 ASP A 114 5.392 -0.930 5.075 1.00 0.00 O ATOM 0 H ASP A 114 8.145 -4.517 3.802 1.00 0.00 H new ATOM 0 HA ASP A 114 6.022 -4.564 5.713 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.198 -2.588 4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.129 -2.963 3.127 1.00 0.00 H new ATOM 1728 N LEU A 115 5.337 -5.561 2.608 1.00 0.00 N ATOM 1729 CA LEU A 115 4.369 -6.229 1.722 1.00 0.00 C ATOM 1730 C LEU A 115 3.970 -7.599 2.309 1.00 0.00 C ATOM 1731 O LEU A 115 2.793 -7.935 2.429 1.00 0.00 O ATOM 1732 CB LEU A 115 4.998 -6.433 0.320 1.00 0.00 C ATOM 1733 CG LEU A 115 5.542 -5.162 -0.393 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.268 -5.512 -1.697 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.427 -4.154 -0.663 1.00 0.00 C ATOM 0 H LEU A 115 6.224 -5.347 2.153 1.00 0.00 H new ATOM 0 HA LEU A 115 3.480 -5.604 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.816 -7.147 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.249 -6.891 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 115 6.263 -4.704 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.634 -4.599 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.109 -6.170 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.578 -6.016 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.841 -3.278 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.670 -4.611 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.972 -3.853 0.281 1.00 0.00 H new ATOM 1747 N GLN A 116 5.005 -8.338 2.726 1.00 0.00 N ATOM 1748 CA GLN A 116 4.899 -9.708 3.256 1.00 0.00 C ATOM 1749 C GLN A 116 4.342 -9.752 4.683 1.00 0.00 C ATOM 1750 O GLN A 116 3.701 -10.730 5.074 1.00 0.00 O ATOM 1751 CB GLN A 116 6.288 -10.362 3.195 1.00 0.00 C ATOM 1752 CG GLN A 116 6.890 -10.352 1.772 1.00 0.00 C ATOM 1753 CD GLN A 116 7.688 -11.603 1.430 1.00 0.00 C ATOM 1754 OE1 GLN A 116 8.306 -12.212 2.298 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.695 -11.983 0.165 1.00 0.00 N ATOM 0 H GLN A 116 5.965 -7.994 2.705 1.00 0.00 H new ATOM 0 HA GLN A 116 4.189 -10.260 2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.962 -9.839 3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.216 -11.391 3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.083 -10.238 1.048 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.537 -9.481 1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.169 -11.452 -0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 116 8.226 -12.807 -0.117 1.00 0.00 H new ATOM 1764 N ALA A 117 4.610 -8.683 5.453 1.00 0.00 N ATOM 1765 CA ALA A 117 3.986 -8.468 6.786 1.00 0.00 C ATOM 1766 C ALA A 117 2.437 -8.352 6.702 1.00 0.00 C ATOM 1767 O ALA A 117 1.742 -8.504 7.714 1.00 0.00 O ATOM 1768 CB ALA A 117 4.576 -7.209 7.443 1.00 0.00 C ATOM 0 H ALA A 117 5.259 -7.945 5.179 1.00 0.00 H new ATOM 0 HA ALA A 117 4.211 -9.342 7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.115 -7.058 8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.652 -7.333 7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.380 -6.343 6.811 1.00 0.00 H new ATOM 1774 N HIS A 118 1.915 -8.054 5.487 1.00 0.00 N ATOM 1775 CA HIS A 118 0.460 -7.933 5.221 1.00 0.00 C ATOM 1776 C HIS A 118 -0.020 -8.889 4.091 1.00 0.00 C ATOM 1777 O HIS A 118 -1.185 -8.828 3.684 1.00 0.00 O ATOM 1778 CB HIS A 118 0.128 -6.460 4.881 1.00 0.00 C ATOM 1779 CG HIS A 118 0.540 -5.501 5.970 1.00 0.00 C ATOM 1780 ND1 HIS A 118 1.731 -4.803 5.950 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -0.053 -5.179 7.144 1.00 0.00 C ATOM 1782 CE1 HIS A 118 1.855 -4.112 7.057 1.00 0.00 C ATOM 1783 NE2 HIS A 118 0.789 -4.319 7.798 1.00 0.00 N ATOM 0 H HIS A 118 2.492 -7.890 4.662 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.077 -8.233 6.121 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.628 -6.185 3.953 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -0.944 -6.365 4.706 1.00 0.00 H new ATOM 0 HD1 HIS A 118 2.411 -4.822 5.190 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -1.010 -5.534 7.498 1.00 0.00 H new ATOM 0 HE1 HIS A 118 2.691 -3.480 7.316 1.00 0.00 H new ATOM 1792 N ALA A 119 0.875 -9.779 3.601 1.00 0.00 N ATOM 1793 CA ALA A 119 0.538 -10.793 2.566 1.00 0.00 C ATOM 1794 C ALA A 119 0.956 -12.225 3.019 1.00 0.00 C ATOM 1795 O ALA A 119 0.155 -12.938 3.641 1.00 0.00 O ATOM 1796 CB ALA A 119 1.161 -10.411 1.210 1.00 0.00 C ATOM 0 H ALA A 119 1.847 -9.817 3.908 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.544 -10.806 2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.903 -11.165 0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.776 -9.442 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.245 -10.356 1.310 1.00 0.00 H new