USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 583 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 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.039) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -142:sc= 0.402 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -3.582 18.110 8.613 1.00 0.00 N ATOM 575 CA ASN A 56 -2.639 17.586 7.616 1.00 0.00 C ATOM 576 C ASN A 56 -2.168 16.147 7.929 1.00 0.00 C ATOM 577 O ASN A 56 -1.773 15.423 7.016 1.00 0.00 O ATOM 578 CB ASN A 56 -1.442 18.550 7.484 1.00 0.00 C ATOM 579 CG ASN A 56 -1.704 19.721 6.551 1.00 0.00 C ATOM 580 OD1 ASN A 56 -1.294 19.719 5.398 1.00 0.00 O ATOM 581 ND2 ASN A 56 -2.375 20.763 6.990 1.00 0.00 N ATOM 0 HA ASN A 56 -3.164 17.525 6.663 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.184 18.933 8.471 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.577 17.994 7.122 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.548 21.556 6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.723 20.779 7.949 1.00 0.00 H new ATOM 588 N SER A 57 -2.259 15.692 9.188 1.00 0.00 N ATOM 589 CA SER A 57 -1.937 14.311 9.583 1.00 0.00 C ATOM 590 C SER A 57 -2.826 13.284 8.860 1.00 0.00 C ATOM 591 O SER A 57 -2.380 12.175 8.567 1.00 0.00 O ATOM 592 CB SER A 57 -2.053 14.164 11.108 1.00 0.00 C ATOM 593 OG SER A 57 -1.332 13.034 11.571 1.00 0.00 O ATOM 0 H SER A 57 -2.561 16.277 9.967 1.00 0.00 H new ATOM 0 HA SER A 57 -0.910 14.105 9.283 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.674 15.064 11.593 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.102 14.069 11.388 1.00 0.00 H new ATOM 0 HG SER A 57 -1.422 12.965 12.544 1.00 0.00 H new ATOM 599 N HIS A 58 -4.062 13.657 8.490 1.00 0.00 N ATOM 600 CA HIS A 58 -4.971 12.810 7.700 1.00 0.00 C ATOM 601 C HIS A 58 -4.378 12.476 6.327 1.00 0.00 C ATOM 602 O HIS A 58 -4.509 11.344 5.862 1.00 0.00 O ATOM 603 CB HIS A 58 -6.338 13.506 7.556 1.00 0.00 C ATOM 604 CG HIS A 58 -7.401 12.650 6.902 1.00 0.00 C ATOM 605 ND1 HIS A 58 -8.499 12.102 7.541 1.00 0.00 N ATOM 606 CD2 HIS A 58 -7.460 12.291 5.581 1.00 0.00 C ATOM 607 CE1 HIS A 58 -9.206 11.410 6.623 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.589 11.505 5.427 1.00 0.00 N ATOM 0 H HIS A 58 -4.462 14.563 8.733 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.108 11.866 8.228 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.686 13.807 8.544 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.210 14.417 6.972 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -6.759 12.568 4.807 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.120 10.867 6.815 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -8.901 11.072 4.558 1.00 0.00 H new ATOM 617 N PHE A 59 -3.704 13.437 5.681 1.00 0.00 N ATOM 618 CA PHE A 59 -3.053 13.242 4.379 1.00 0.00 C ATOM 619 C PHE A 59 -2.057 12.085 4.439 1.00 0.00 C ATOM 620 O PHE A 59 -2.122 11.185 3.603 1.00 0.00 O ATOM 621 CB PHE A 59 -2.361 14.531 3.903 1.00 0.00 C ATOM 622 CG PHE A 59 -2.001 14.515 2.424 1.00 0.00 C ATOM 623 CD1 PHE A 59 -0.966 13.690 1.937 1.00 0.00 C ATOM 624 CD2 PHE A 59 -2.728 15.315 1.521 1.00 0.00 C ATOM 625 CE1 PHE A 59 -0.686 13.638 0.559 1.00 0.00 C ATOM 626 CE2 PHE A 59 -2.436 15.278 0.146 1.00 0.00 C ATOM 627 CZ PHE A 59 -1.422 14.431 -0.338 1.00 0.00 C ATOM 0 H PHE A 59 -3.594 14.381 6.052 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.827 12.991 3.654 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.016 15.380 4.101 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.454 14.685 4.488 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.385 13.095 2.626 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.513 15.960 1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.094 12.989 0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.991 15.901 -0.540 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.210 14.390 -1.396 1.00 0.00 H new ATOM 637 N PHE A 60 -1.175 12.077 5.447 1.00 0.00 N ATOM 638 CA PHE A 60 -0.237 10.983 5.688 1.00 0.00 C ATOM 639 C PHE A 60 -0.961 9.643 5.811 1.00 0.00 C ATOM 640 O PHE A 60 -0.632 8.716 5.078 1.00 0.00 O ATOM 641 CB PHE A 60 0.585 11.244 6.954 1.00 0.00 C ATOM 642 CG PHE A 60 1.397 10.037 7.396 1.00 0.00 C ATOM 643 CD1 PHE A 60 2.307 9.444 6.504 1.00 0.00 C ATOM 644 CD2 PHE A 60 1.184 9.451 8.659 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.976 8.266 6.866 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.875 8.283 9.031 1.00 0.00 C ATOM 647 CZ PHE A 60 2.764 7.683 8.123 1.00 0.00 C ATOM 0 H PHE A 60 -1.095 12.838 6.121 1.00 0.00 H new ATOM 0 HA PHE A 60 0.433 10.934 4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.258 12.082 6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.085 11.539 7.761 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.491 9.895 5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.485 9.902 9.348 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.661 7.804 6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.723 7.850 10.009 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.283 6.775 8.393 1.00 0.00 H new ATOM 657 N VAL A 61 -1.966 9.541 6.689 1.00 0.00 N ATOM 658 CA VAL A 61 -2.748 8.306 6.849 1.00 0.00 C ATOM 659 C VAL A 61 -3.343 7.836 5.516 1.00 0.00 C ATOM 660 O VAL A 61 -3.289 6.645 5.225 1.00 0.00 O ATOM 661 CB VAL A 61 -3.828 8.441 7.942 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.621 7.137 8.097 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.183 8.775 9.296 1.00 0.00 C ATOM 0 H VAL A 61 -2.259 10.301 7.303 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.056 7.534 7.184 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.500 9.243 7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.376 7.260 8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.109 6.893 7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.943 6.330 8.374 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.959 8.867 10.056 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.493 7.979 9.576 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.639 9.716 9.218 1.00 0.00 H new ATOM 673 N ALA A 62 -3.828 8.746 4.667 1.00 0.00 N ATOM 674 CA ALA A 62 -4.341 8.420 3.330 1.00 0.00 C ATOM 675 C ALA A 62 -3.252 7.883 2.375 1.00 0.00 C ATOM 676 O ALA A 62 -3.379 6.771 1.855 1.00 0.00 O ATOM 677 CB ALA A 62 -5.066 9.642 2.748 1.00 0.00 C ATOM 0 H ALA A 62 -3.877 9.740 4.889 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.052 7.601 3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.447 9.401 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.896 9.916 3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.370 10.478 2.676 1.00 0.00 H new ATOM 683 N THR A 63 -2.181 8.649 2.134 1.00 0.00 N ATOM 684 CA THR A 63 -1.076 8.241 1.242 1.00 0.00 C ATOM 685 C THR A 63 -0.382 6.957 1.729 1.00 0.00 C ATOM 686 O THR A 63 -0.137 6.039 0.941 1.00 0.00 O ATOM 687 CB THR A 63 -0.087 9.401 1.008 1.00 0.00 C ATOM 688 OG1 THR A 63 0.855 9.049 0.017 1.00 0.00 O ATOM 689 CG2 THR A 63 0.688 9.857 2.229 1.00 0.00 C ATOM 0 H THR A 63 -2.051 9.571 2.550 1.00 0.00 H new ATOM 0 HA THR A 63 -1.510 7.997 0.273 1.00 0.00 H new ATOM 0 HB THR A 63 -0.724 10.232 0.706 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.476 9.794 -0.123 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.353 10.675 1.953 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.008 10.198 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.277 9.026 2.617 1.00 0.00 H new ATOM 697 N PHE A 64 -0.157 6.830 3.042 1.00 0.00 N ATOM 698 CA PHE A 64 0.417 5.648 3.679 1.00 0.00 C ATOM 699 C PHE A 64 -0.509 4.430 3.557 1.00 0.00 C ATOM 700 O PHE A 64 -0.042 3.353 3.193 1.00 0.00 O ATOM 701 CB PHE A 64 0.743 5.961 5.147 1.00 0.00 C ATOM 702 CG PHE A 64 1.542 4.874 5.834 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.873 3.809 6.459 1.00 0.00 C ATOM 704 CD2 PHE A 64 2.948 4.902 5.819 1.00 0.00 C ATOM 705 CE1 PHE A 64 1.608 2.754 7.025 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.681 3.837 6.369 1.00 0.00 C ATOM 707 CZ PHE A 64 3.008 2.757 6.958 1.00 0.00 C ATOM 0 H PHE A 64 -0.377 7.571 3.707 1.00 0.00 H new ATOM 0 HA PHE A 64 1.340 5.389 3.161 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.301 6.896 5.195 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.188 6.116 5.692 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.206 3.801 6.504 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.465 5.744 5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.093 1.939 7.513 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.760 3.850 6.338 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.569 1.927 7.360 1.00 0.00 H new ATOM 717 N ALA A 65 -1.817 4.591 3.804 1.00 0.00 N ATOM 718 CA ALA A 65 -2.817 3.537 3.621 1.00 0.00 C ATOM 719 C ALA A 65 -2.812 2.980 2.191 1.00 0.00 C ATOM 720 O ALA A 65 -2.758 1.765 2.009 1.00 0.00 O ATOM 721 CB ALA A 65 -4.214 4.041 3.992 1.00 0.00 C ATOM 0 H ALA A 65 -2.212 5.469 4.141 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.548 2.721 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.940 3.241 3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.222 4.355 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.476 4.887 3.357 1.00 0.00 H new ATOM 727 N ARG A 66 -2.845 3.845 1.170 1.00 0.00 N ATOM 728 CA ARG A 66 -2.841 3.411 -0.237 1.00 0.00 C ATOM 729 C ARG A 66 -1.570 2.635 -0.593 1.00 0.00 C ATOM 730 O ARG A 66 -1.659 1.581 -1.219 1.00 0.00 O ATOM 731 CB ARG A 66 -3.100 4.622 -1.152 1.00 0.00 C ATOM 732 CG ARG A 66 -3.794 4.246 -2.475 1.00 0.00 C ATOM 733 CD ARG A 66 -2.863 3.766 -3.601 1.00 0.00 C ATOM 734 NE ARG A 66 -1.925 4.820 -4.043 1.00 0.00 N ATOM 735 CZ ARG A 66 -2.197 5.893 -4.766 1.00 0.00 C ATOM 736 NH1 ARG A 66 -3.390 6.139 -5.233 1.00 0.00 N ATOM 737 NH2 ARG A 66 -1.263 6.757 -5.034 1.00 0.00 N ATOM 0 H ARG A 66 -2.875 4.857 1.291 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.654 2.703 -0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.716 5.346 -0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.152 5.111 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.523 3.462 -2.272 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.350 5.113 -2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.297 2.900 -3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.463 3.438 -4.450 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.953 4.706 -3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.155 5.491 -5.044 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.558 6.979 -5.787 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.316 6.608 -4.686 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.478 7.583 -5.592 1.00 0.00 H new ATOM 751 N GLU A 67 -0.404 3.098 -0.141 1.00 0.00 N ATOM 752 CA GLU A 67 0.870 2.400 -0.328 1.00 0.00 C ATOM 753 C GLU A 67 0.910 1.052 0.407 1.00 0.00 C ATOM 754 O GLU A 67 1.117 0.025 -0.239 1.00 0.00 O ATOM 755 CB GLU A 67 2.031 3.299 0.115 1.00 0.00 C ATOM 756 CG GLU A 67 2.391 4.405 -0.887 1.00 0.00 C ATOM 757 CD GLU A 67 2.896 3.838 -2.229 1.00 0.00 C ATOM 758 OE1 GLU A 67 4.093 3.477 -2.334 1.00 0.00 O ATOM 759 OE2 GLU A 67 2.096 3.765 -3.193 1.00 0.00 O ATOM 0 H GLU A 67 -0.316 3.976 0.370 1.00 0.00 H new ATOM 0 HA GLU A 67 0.973 2.180 -1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.775 3.759 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.911 2.679 0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.516 5.029 -1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.158 5.048 -0.455 1.00 0.00 H new ATOM 766 N ARG A 68 0.687 1.020 1.733 1.00 0.00 N ATOM 767 CA ARG A 68 0.724 -0.223 2.530 1.00 0.00 C ATOM 768 C ARG A 68 -0.253 -1.269 1.993 1.00 0.00 C ATOM 769 O ARG A 68 0.094 -2.443 1.880 1.00 0.00 O ATOM 770 CB ARG A 68 0.519 0.055 4.040 1.00 0.00 C ATOM 771 CG ARG A 68 -0.945 0.301 4.439 1.00 0.00 C ATOM 772 CD ARG A 68 -1.171 0.643 5.908 1.00 0.00 C ATOM 773 NE ARG A 68 -0.808 -0.481 6.788 1.00 0.00 N ATOM 774 CZ ARG A 68 -0.896 -0.524 8.101 1.00 0.00 C ATOM 775 NH1 ARG A 68 -1.366 0.469 8.800 1.00 0.00 N ATOM 776 NH2 ARG A 68 -0.486 -1.578 8.742 1.00 0.00 N ATOM 0 H ARG A 68 0.476 1.853 2.283 1.00 0.00 H new ATOM 0 HA ARG A 68 1.723 -0.646 2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.902 -0.791 4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.113 0.925 4.322 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.339 1.114 3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.525 -0.590 4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.580 1.519 6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.217 0.905 6.064 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.449 -1.318 6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.682 1.318 8.331 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.418 0.398 9.816 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.097 -2.369 8.228 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.553 -1.614 9.759 1.00 0.00 H new ATOM 790 N ALA A 69 -1.458 -0.831 1.625 1.00 0.00 N ATOM 791 CA ALA A 69 -2.513 -1.687 1.097 1.00 0.00 C ATOM 792 C ALA A 69 -2.126 -2.278 -0.259 1.00 0.00 C ATOM 793 O ALA A 69 -2.334 -3.470 -0.471 1.00 0.00 O ATOM 794 CB ALA A 69 -3.819 -0.895 0.983 1.00 0.00 C ATOM 0 H ALA A 69 -1.730 0.150 1.688 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.657 -2.517 1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.603 -1.541 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.111 -0.531 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.674 -0.048 0.312 1.00 0.00 H new ATOM 800 N ALA A 70 -1.522 -1.485 -1.154 1.00 0.00 N ATOM 801 CA ALA A 70 -1.034 -1.981 -2.436 1.00 0.00 C ATOM 802 C ALA A 70 -0.066 -3.158 -2.244 1.00 0.00 C ATOM 803 O ALA A 70 -0.215 -4.169 -2.927 1.00 0.00 O ATOM 804 CB ALA A 70 -0.392 -0.837 -3.233 1.00 0.00 C ATOM 0 H ALA A 70 -1.361 -0.489 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.880 -2.359 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.031 -1.217 -4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.132 -0.056 -3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.443 -0.424 -2.668 1.00 0.00 H new ATOM 810 N VAL A 71 0.868 -3.072 -1.284 1.00 0.00 N ATOM 811 CA VAL A 71 1.780 -4.179 -0.938 1.00 0.00 C ATOM 812 C VAL A 71 1.020 -5.370 -0.355 1.00 0.00 C ATOM 813 O VAL A 71 1.198 -6.492 -0.821 1.00 0.00 O ATOM 814 CB VAL A 71 2.866 -3.771 0.073 1.00 0.00 C ATOM 815 CG1 VAL A 71 3.989 -4.814 0.126 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.467 -2.400 -0.244 1.00 0.00 C ATOM 0 H VAL A 71 1.014 -2.232 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 71 2.259 -4.455 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 71 2.375 -3.713 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.743 -4.501 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.577 -5.777 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.447 -4.906 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.228 -2.156 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.919 -2.421 -1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.682 -1.644 -0.220 1.00 0.00 H new ATOM 826 N GLU A 72 0.175 -5.141 0.658 1.00 0.00 N ATOM 827 CA GLU A 72 -0.589 -6.194 1.341 1.00 0.00 C ATOM 828 C GLU A 72 -1.490 -6.988 0.371 1.00 0.00 C ATOM 829 O GLU A 72 -1.678 -8.195 0.526 1.00 0.00 O ATOM 830 CB GLU A 72 -1.438 -5.586 2.476 1.00 0.00 C ATOM 831 CG GLU A 72 -1.419 -6.464 3.735 1.00 0.00 C ATOM 832 CD GLU A 72 -2.716 -6.314 4.556 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.758 -6.895 4.164 1.00 0.00 O ATOM 834 OE2 GLU A 72 -2.703 -5.627 5.606 1.00 0.00 O ATOM 0 H GLU A 72 0.000 -4.208 1.031 1.00 0.00 H new ATOM 0 HA GLU A 72 0.133 -6.895 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.061 -4.593 2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.466 -5.462 2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.288 -7.508 3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.563 -6.194 4.354 1.00 0.00 H new ATOM 841 N GLU A 73 -2.022 -6.320 -0.656 1.00 0.00 N ATOM 842 CA GLU A 73 -2.813 -6.924 -1.731 1.00 0.00 C ATOM 843 C GLU A 73 -1.942 -7.649 -2.773 1.00 0.00 C ATOM 844 O GLU A 73 -2.340 -8.692 -3.298 1.00 0.00 O ATOM 845 CB GLU A 73 -3.670 -5.833 -2.401 1.00 0.00 C ATOM 846 CG GLU A 73 -5.014 -6.393 -2.883 1.00 0.00 C ATOM 847 CD GLU A 73 -6.015 -5.259 -3.179 1.00 0.00 C ATOM 848 OE1 GLU A 73 -6.593 -4.689 -2.221 1.00 0.00 O ATOM 849 OE2 GLU A 73 -6.248 -4.941 -4.371 1.00 0.00 O ATOM 0 H GLU A 73 -1.910 -5.312 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.456 -7.685 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.845 -5.021 -1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.127 -5.409 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.861 -6.991 -3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.427 -7.058 -2.125 1.00 0.00 H new ATOM 856 N LEU A 74 -0.730 -7.140 -3.037 1.00 0.00 N ATOM 857 CA LEU A 74 0.254 -7.752 -3.938 1.00 0.00 C ATOM 858 C LEU A 74 0.637 -9.169 -3.490 1.00 0.00 C ATOM 859 O LEU A 74 0.893 -10.017 -4.335 1.00 0.00 O ATOM 860 CB LEU A 74 1.491 -6.839 -4.081 1.00 0.00 C ATOM 861 CG LEU A 74 2.122 -6.853 -5.488 1.00 0.00 C ATOM 862 CD1 LEU A 74 2.948 -5.586 -5.732 1.00 0.00 C ATOM 863 CD2 LEU A 74 3.016 -8.071 -5.718 1.00 0.00 C ATOM 0 H LEU A 74 -0.400 -6.270 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.206 -7.855 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.206 -5.817 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.243 -7.146 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 74 1.289 -6.899 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.382 -5.621 -6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.305 -4.710 -5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.746 -5.524 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.434 -8.031 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.826 -8.071 -4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.427 -8.981 -5.606 1.00 0.00 H new ATOM 875 N LEU A 75 0.590 -9.465 -2.186 1.00 0.00 N ATOM 876 CA LEU A 75 0.835 -10.798 -1.618 1.00 0.00 C ATOM 877 C LEU A 75 -0.042 -11.897 -2.252 1.00 0.00 C ATOM 878 O LEU A 75 0.449 -12.975 -2.580 1.00 0.00 O ATOM 879 CB LEU A 75 0.600 -10.770 -0.097 1.00 0.00 C ATOM 880 CG LEU A 75 1.326 -9.657 0.677 1.00 0.00 C ATOM 881 CD1 LEU A 75 1.026 -9.809 2.161 1.00 0.00 C ATOM 882 CD2 LEU A 75 2.838 -9.697 0.480 1.00 0.00 C ATOM 0 H LEU A 75 0.375 -8.765 -1.476 1.00 0.00 H new ATOM 0 HA LEU A 75 1.873 -11.047 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.470 -10.672 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.906 -11.731 0.316 1.00 0.00 H new ATOM 0 HG LEU A 75 0.965 -8.703 0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.537 -9.024 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.049 -9.730 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.374 -10.783 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.300 -8.890 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.225 -10.654 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.070 -9.575 -0.578 1.00 0.00 H new ATOM 894 N GLU A 76 -1.338 -11.626 -2.440 1.00 0.00 N ATOM 895 CA GLU A 76 -2.296 -12.527 -3.107 1.00 0.00 C ATOM 896 C GLU A 76 -2.207 -12.499 -4.640 1.00 0.00 C ATOM 897 O GLU A 76 -2.687 -13.416 -5.310 1.00 0.00 O ATOM 898 CB GLU A 76 -3.727 -12.143 -2.693 1.00 0.00 C ATOM 899 CG GLU A 76 -4.235 -12.957 -1.498 1.00 0.00 C ATOM 900 CD GLU A 76 -4.741 -14.355 -1.917 1.00 0.00 C ATOM 901 OE1 GLU A 76 -3.912 -15.250 -2.210 1.00 0.00 O ATOM 902 OE2 GLU A 76 -5.977 -14.574 -1.941 1.00 0.00 O ATOM 0 H GLU A 76 -1.764 -10.754 -2.127 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.040 -13.538 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.757 -11.082 -2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.398 -12.290 -3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.433 -13.067 -0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.041 -12.413 -1.006 1.00 0.00 H new ATOM 909 N ARG A 77 -1.603 -11.448 -5.205 1.00 0.00 N ATOM 910 CA ARG A 77 -1.337 -11.280 -6.644 1.00 0.00 C ATOM 911 C ARG A 77 0.098 -11.682 -7.048 1.00 0.00 C ATOM 912 O ARG A 77 0.483 -11.475 -8.198 1.00 0.00 O ATOM 913 CB ARG A 77 -1.699 -9.834 -7.060 1.00 0.00 C ATOM 914 CG ARG A 77 -3.203 -9.513 -6.953 1.00 0.00 C ATOM 915 CD ARG A 77 -4.019 -10.177 -8.075 1.00 0.00 C ATOM 916 NE ARG A 77 -5.473 -10.078 -7.838 1.00 0.00 N ATOM 917 CZ ARG A 77 -6.215 -10.856 -7.067 1.00 0.00 C ATOM 918 NH1 ARG A 77 -5.704 -11.832 -6.368 1.00 0.00 N ATOM 919 NH2 ARG A 77 -7.502 -10.670 -6.983 1.00 0.00 N ATOM 0 H ARG A 77 -1.271 -10.657 -4.653 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.973 -11.972 -7.196 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.143 -9.136 -6.434 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.374 -9.670 -8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.577 -9.849 -5.986 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.346 -8.433 -6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.775 -9.707 -9.027 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.736 -11.227 -8.156 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.960 -9.325 -8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.701 -12.015 -6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.307 -12.412 -5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.945 -9.920 -7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.067 -11.274 -6.386 1.00 0.00 H new ATOM 933 N ALA A 78 0.892 -12.249 -6.134 1.00 0.00 N ATOM 934 CA ALA A 78 2.290 -12.644 -6.325 1.00 0.00 C ATOM 935 C ALA A 78 2.435 -14.159 -6.579 1.00 0.00 C ATOM 936 O ALA A 78 2.559 -14.962 -5.650 1.00 0.00 O ATOM 937 CB ALA A 78 3.128 -12.175 -5.125 1.00 0.00 C ATOM 0 H ALA A 78 0.559 -12.455 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 78 2.669 -12.155 -7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.167 -12.470 -5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.067 -11.090 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.745 -12.632 -4.213 1.00 0.00 H new ATOM 943 N GLU A 79 2.443 -14.552 -7.856 1.00 0.00 N ATOM 944 CA GLU A 79 2.676 -15.937 -8.302 1.00 0.00 C ATOM 945 C GLU A 79 4.171 -16.295 -8.413 1.00 0.00 C ATOM 946 O GLU A 79 4.523 -17.478 -8.403 1.00 0.00 O ATOM 947 CB GLU A 79 2.000 -16.165 -9.666 1.00 0.00 C ATOM 948 CG GLU A 79 0.493 -16.446 -9.573 1.00 0.00 C ATOM 949 CD GLU A 79 -0.327 -15.230 -9.102 1.00 0.00 C ATOM 950 OE1 GLU A 79 -0.566 -14.309 -9.920 1.00 0.00 O ATOM 951 OE2 GLU A 79 -0.764 -15.207 -7.926 1.00 0.00 O ATOM 0 H GLU A 79 2.285 -13.905 -8.629 1.00 0.00 H new ATOM 0 HA GLU A 79 2.243 -16.587 -7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.158 -15.286 -10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.486 -17.003 -10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.129 -16.764 -10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.327 -17.275 -8.885 1.00 0.00 H new ATOM 958 N SER A 80 5.057 -15.294 -8.509 1.00 0.00 N ATOM 959 CA SER A 80 6.514 -15.459 -8.595 1.00 0.00 C ATOM 960 C SER A 80 7.269 -14.354 -7.849 1.00 0.00 C ATOM 961 O SER A 80 6.703 -13.326 -7.462 1.00 0.00 O ATOM 962 CB SER A 80 6.962 -15.479 -10.062 1.00 0.00 C ATOM 963 OG SER A 80 8.216 -16.128 -10.171 1.00 0.00 O ATOM 0 H SER A 80 4.770 -14.316 -8.530 1.00 0.00 H new ATOM 0 HA SER A 80 6.754 -16.410 -8.119 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.220 -15.996 -10.671 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.035 -14.461 -10.444 1.00 0.00 H new ATOM 0 HG SER A 80 8.766 -15.668 -10.839 1.00 0.00 H new ATOM 969 N VAL A 81 8.580 -14.546 -7.701 1.00 0.00 N ATOM 970 CA VAL A 81 9.524 -13.608 -7.071 1.00 0.00 C ATOM 971 C VAL A 81 9.558 -12.253 -7.784 1.00 0.00 C ATOM 972 O VAL A 81 9.690 -11.225 -7.130 1.00 0.00 O ATOM 973 CB VAL A 81 10.937 -14.220 -7.032 1.00 0.00 C ATOM 974 CG1 VAL A 81 11.934 -13.305 -6.322 1.00 0.00 C ATOM 975 CG2 VAL A 81 10.942 -15.546 -6.271 1.00 0.00 C ATOM 0 H VAL A 81 9.038 -15.396 -8.030 1.00 0.00 H new ATOM 0 HA VAL A 81 9.174 -13.433 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 81 11.228 -14.363 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.918 -13.774 -6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.990 -12.351 -6.846 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.607 -13.137 -5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.952 -15.955 -6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.606 -15.379 -5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.271 -16.250 -6.763 1.00 0.00 H new ATOM 985 N GLU A 82 9.374 -12.229 -9.108 1.00 0.00 N ATOM 986 CA GLU A 82 9.371 -11.006 -9.928 1.00 0.00 C ATOM 987 C GLU A 82 8.394 -9.938 -9.397 1.00 0.00 C ATOM 988 O GLU A 82 8.721 -8.748 -9.372 1.00 0.00 O ATOM 989 CB GLU A 82 9.030 -11.342 -11.393 1.00 0.00 C ATOM 990 CG GLU A 82 10.157 -12.041 -12.171 1.00 0.00 C ATOM 991 CD GLU A 82 10.335 -13.525 -11.793 1.00 0.00 C ATOM 992 OE1 GLU A 82 9.515 -14.367 -12.232 1.00 0.00 O ATOM 993 OE2 GLU A 82 11.295 -13.856 -11.058 1.00 0.00 O ATOM 0 H GLU A 82 9.219 -13.076 -9.655 1.00 0.00 H new ATOM 0 HA GLU A 82 10.376 -10.587 -9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.146 -11.980 -11.409 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.767 -10.420 -11.911 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.950 -11.968 -13.239 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.094 -11.513 -11.991 1.00 0.00 H new ATOM 1000 N ARG A 83 7.207 -10.362 -8.936 1.00 0.00 N ATOM 1001 CA ARG A 83 6.204 -9.494 -8.298 1.00 0.00 C ATOM 1002 C ARG A 83 6.552 -9.176 -6.844 1.00 0.00 C ATOM 1003 O ARG A 83 6.468 -8.020 -6.430 1.00 0.00 O ATOM 1004 CB ARG A 83 4.813 -10.138 -8.409 1.00 0.00 C ATOM 1005 CG ARG A 83 4.314 -10.117 -9.862 1.00 0.00 C ATOM 1006 CD ARG A 83 2.791 -10.272 -9.932 1.00 0.00 C ATOM 1007 NE ARG A 83 2.267 -9.858 -11.248 1.00 0.00 N ATOM 1008 CZ ARG A 83 2.179 -10.574 -12.354 1.00 0.00 C ATOM 1009 NH1 ARG A 83 2.553 -11.820 -12.409 1.00 0.00 N ATOM 1010 NH2 ARG A 83 1.712 -10.036 -13.444 1.00 0.00 N ATOM 0 H ARG A 83 6.912 -11.336 -8.997 1.00 0.00 H new ATOM 0 HA ARG A 83 6.199 -8.542 -8.828 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.854 -11.166 -8.049 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.109 -9.605 -7.771 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.608 -9.181 -10.336 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.789 -10.921 -10.423 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.520 -11.311 -9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.326 -9.673 -9.149 1.00 0.00 H new ATOM 0 HE ARG A 83 1.930 -8.897 -11.311 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.930 -12.276 -11.578 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.469 -12.340 -13.283 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.414 -9.061 -13.444 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.644 -10.590 -14.298 1.00 0.00 H new ATOM 1024 N LEU A 84 6.973 -10.186 -6.082 1.00 0.00 N ATOM 1025 CA LEU A 84 7.369 -10.068 -4.674 1.00 0.00 C ATOM 1026 C LEU A 84 8.480 -9.014 -4.455 1.00 0.00 C ATOM 1027 O LEU A 84 8.409 -8.210 -3.528 1.00 0.00 O ATOM 1028 CB LEU A 84 7.820 -11.459 -4.189 1.00 0.00 C ATOM 1029 CG LEU A 84 7.685 -11.617 -2.665 1.00 0.00 C ATOM 1030 CD1 LEU A 84 6.260 -12.041 -2.288 1.00 0.00 C ATOM 1031 CD2 LEU A 84 8.671 -12.639 -2.095 1.00 0.00 C ATOM 0 H LEU A 84 7.051 -11.139 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 84 6.514 -9.720 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.225 -12.225 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.858 -11.624 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 84 7.913 -10.642 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.186 -12.147 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.553 -11.284 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.026 -12.994 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.535 -12.713 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.491 -13.612 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.691 -12.320 -2.311 1.00 0.00 H new ATOM 1043 N GLU A 85 9.488 -8.996 -5.332 1.00 0.00 N ATOM 1044 CA GLU A 85 10.594 -8.027 -5.350 1.00 0.00 C ATOM 1045 C GLU A 85 10.110 -6.586 -5.577 1.00 0.00 C ATOM 1046 O GLU A 85 10.557 -5.668 -4.891 1.00 0.00 O ATOM 1047 CB GLU A 85 11.598 -8.409 -6.454 1.00 0.00 C ATOM 1048 CG GLU A 85 12.420 -9.668 -6.139 1.00 0.00 C ATOM 1049 CD GLU A 85 13.690 -9.375 -5.312 1.00 0.00 C ATOM 1050 OE1 GLU A 85 13.612 -8.659 -4.284 1.00 0.00 O ATOM 1051 OE2 GLU A 85 14.783 -9.864 -5.690 1.00 0.00 O ATOM 0 H GLU A 85 9.561 -9.684 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 85 11.071 -8.062 -4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.056 -8.565 -7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.279 -7.574 -6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.795 -10.375 -5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.706 -10.150 -7.074 1.00 0.00 H new ATOM 1058 N GLU A 86 9.181 -6.371 -6.514 1.00 0.00 N ATOM 1059 CA GLU A 86 8.564 -5.057 -6.748 1.00 0.00 C ATOM 1060 C GLU A 86 7.781 -4.588 -5.502 1.00 0.00 C ATOM 1061 O GLU A 86 7.868 -3.425 -5.101 1.00 0.00 O ATOM 1062 CB GLU A 86 7.659 -5.136 -7.994 1.00 0.00 C ATOM 1063 CG GLU A 86 7.301 -3.768 -8.595 1.00 0.00 C ATOM 1064 CD GLU A 86 8.348 -3.295 -9.626 1.00 0.00 C ATOM 1065 OE1 GLU A 86 9.458 -2.864 -9.226 1.00 0.00 O ATOM 1066 OE2 GLU A 86 8.065 -3.339 -10.849 1.00 0.00 O ATOM 0 H GLU A 86 8.834 -7.103 -7.134 1.00 0.00 H new ATOM 0 HA GLU A 86 9.343 -4.316 -6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.158 -5.736 -8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.739 -5.657 -7.729 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.323 -3.827 -9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.221 -3.031 -7.796 1.00 0.00 H new ATOM 1073 N ALA A 87 7.067 -5.507 -4.834 1.00 0.00 N ATOM 1074 CA ALA A 87 6.356 -5.251 -3.577 1.00 0.00 C ATOM 1075 C ALA A 87 7.303 -4.827 -2.437 1.00 0.00 C ATOM 1076 O ALA A 87 7.003 -3.884 -1.700 1.00 0.00 O ATOM 1077 CB ALA A 87 5.540 -6.493 -3.184 1.00 0.00 C ATOM 0 H ALA A 87 6.967 -6.468 -5.161 1.00 0.00 H new ATOM 0 HA ALA A 87 5.681 -4.411 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.012 -6.301 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.818 -6.717 -3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.210 -7.343 -3.054 1.00 0.00 H new ATOM 1083 N ALA A 88 8.466 -5.478 -2.311 1.00 0.00 N ATOM 1084 CA ALA A 88 9.490 -5.094 -1.337 1.00 0.00 C ATOM 1085 C ALA A 88 9.951 -3.638 -1.496 1.00 0.00 C ATOM 1086 O ALA A 88 10.280 -3.006 -0.497 1.00 0.00 O ATOM 1087 CB ALA A 88 10.685 -6.051 -1.396 1.00 0.00 C ATOM 0 H ALA A 88 8.721 -6.284 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 88 9.026 -5.169 -0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.432 -5.745 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.351 -7.064 -1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.123 -6.025 -2.394 1.00 0.00 H new ATOM 1093 N SER A 89 9.932 -3.065 -2.703 1.00 0.00 N ATOM 1094 CA SER A 89 10.314 -1.664 -2.920 1.00 0.00 C ATOM 1095 C SER A 89 9.225 -0.705 -2.450 1.00 0.00 C ATOM 1096 O SER A 89 9.536 0.326 -1.855 1.00 0.00 O ATOM 1097 CB SER A 89 10.606 -1.387 -4.403 1.00 0.00 C ATOM 1098 OG SER A 89 11.461 -2.369 -4.971 1.00 0.00 O ATOM 0 H SER A 89 9.653 -3.555 -3.553 1.00 0.00 H new ATOM 0 HA SER A 89 11.217 -1.497 -2.333 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.668 -1.359 -4.958 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.066 -0.404 -4.504 1.00 0.00 H new ATOM 0 HG SER A 89 11.621 -2.158 -5.915 1.00 0.00 H new ATOM 1104 N ARG A 90 7.949 -1.052 -2.665 1.00 0.00 N ATOM 1105 CA ARG A 90 6.792 -0.285 -2.175 1.00 0.00 C ATOM 1106 C ARG A 90 6.793 -0.200 -0.649 1.00 0.00 C ATOM 1107 O ARG A 90 6.666 0.887 -0.086 1.00 0.00 O ATOM 1108 CB ARG A 90 5.484 -0.915 -2.689 1.00 0.00 C ATOM 1109 CG ARG A 90 5.292 -0.910 -4.212 1.00 0.00 C ATOM 1110 CD ARG A 90 5.446 0.499 -4.789 1.00 0.00 C ATOM 1111 NE ARG A 90 4.761 0.642 -6.088 1.00 0.00 N ATOM 1112 CZ ARG A 90 4.415 1.777 -6.669 1.00 0.00 C ATOM 1113 NH1 ARG A 90 4.713 2.936 -6.153 1.00 0.00 N ATOM 1114 NH2 ARG A 90 3.752 1.771 -7.790 1.00 0.00 N ATOM 0 H ARG A 90 7.686 -1.885 -3.192 1.00 0.00 H new ATOM 0 HA ARG A 90 6.865 0.732 -2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.438 -1.946 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.646 -0.387 -2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.021 -1.576 -4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.304 -1.299 -4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.042 1.226 -4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.505 0.727 -4.910 1.00 0.00 H new ATOM 0 HE ARG A 90 4.532 -0.219 -6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.229 2.986 -5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.431 3.793 -6.628 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.496 0.885 -8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.489 2.652 -8.232 1.00 0.00 H new ATOM 1128 N LEU A 91 6.986 -1.338 0.023 1.00 0.00 N ATOM 1129 CA LEU A 91 7.032 -1.408 1.487 1.00 0.00 C ATOM 1130 C LEU A 91 8.297 -0.758 2.068 1.00 0.00 C ATOM 1131 O LEU A 91 8.230 -0.140 3.121 1.00 0.00 O ATOM 1132 CB LEU A 91 6.809 -2.865 1.940 1.00 0.00 C ATOM 1133 CG LEU A 91 8.050 -3.740 2.149 1.00 0.00 C ATOM 1134 CD1 LEU A 91 8.597 -3.608 3.570 1.00 0.00 C ATOM 1135 CD2 LEU A 91 7.695 -5.213 1.951 1.00 0.00 C ATOM 0 H LEU A 91 7.115 -2.241 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 91 6.217 -0.812 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.251 -2.844 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.174 -3.353 1.201 1.00 0.00 H new ATOM 0 HG LEU A 91 8.795 -3.406 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.476 -4.242 3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.872 -2.570 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.834 -3.917 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.584 -5.825 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.929 -5.502 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.318 -5.364 0.939 1.00 0.00 H new ATOM 1147 N GLN A 92 9.446 -0.859 1.396 1.00 0.00 N ATOM 1148 CA GLN A 92 10.688 -0.216 1.791 1.00 0.00 C ATOM 1149 C GLN A 92 10.582 1.308 1.673 1.00 0.00 C ATOM 1150 O GLN A 92 10.778 2.035 2.645 1.00 0.00 O ATOM 1151 CB GLN A 92 11.796 -0.853 0.939 1.00 0.00 C ATOM 1152 CG GLN A 92 13.130 -0.125 0.993 1.00 0.00 C ATOM 1153 CD GLN A 92 14.317 -1.070 1.167 1.00 0.00 C ATOM 1154 OE1 GLN A 92 14.815 -1.674 0.226 1.00 0.00 O ATOM 1155 NE2 GLN A 92 14.816 -1.234 2.375 1.00 0.00 N ATOM 0 H GLN A 92 9.534 -1.406 0.540 1.00 0.00 H new ATOM 0 HA GLN A 92 10.924 -0.376 2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.944 -1.881 1.268 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.461 -0.895 -0.097 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.261 0.450 0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.116 0.588 1.817 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.409 -0.736 3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.609 -1.859 2.519 1.00 0.00 H new ATOM 1164 N GLY A 93 10.207 1.777 0.487 1.00 0.00 N ATOM 1165 CA GLY A 93 10.014 3.185 0.125 1.00 0.00 C ATOM 1166 C GLY A 93 9.056 3.942 1.049 1.00 0.00 C ATOM 1167 O GLY A 93 9.204 5.152 1.221 1.00 0.00 O ATOM 0 H GLY A 93 10.018 1.151 -0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.982 3.687 0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.635 3.238 -0.896 1.00 0.00 H new ATOM 1171 N LEU A 94 8.116 3.242 1.697 1.00 0.00 N ATOM 1172 CA LEU A 94 7.206 3.819 2.689 1.00 0.00 C ATOM 1173 C LEU A 94 7.972 4.501 3.834 1.00 0.00 C ATOM 1174 O LEU A 94 7.510 5.521 4.332 1.00 0.00 O ATOM 1175 CB LEU A 94 6.266 2.730 3.243 1.00 0.00 C ATOM 1176 CG LEU A 94 4.888 2.644 2.569 1.00 0.00 C ATOM 1177 CD1 LEU A 94 4.123 1.457 3.160 1.00 0.00 C ATOM 1178 CD2 LEU A 94 4.077 3.923 2.798 1.00 0.00 C ATOM 0 H LEU A 94 7.966 2.245 1.543 1.00 0.00 H new ATOM 0 HA LEU A 94 6.611 4.585 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.760 1.763 3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.120 2.908 4.309 1.00 0.00 H new ATOM 0 HG LEU A 94 5.034 2.517 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.142 1.385 2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.681 0.538 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.000 1.601 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.107 3.831 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.931 4.075 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.615 4.774 2.381 1.00 0.00 H new ATOM 1190 N GLN A 95 9.162 4.021 4.223 1.00 0.00 N ATOM 1191 CA GLN A 95 9.960 4.645 5.291 1.00 0.00 C ATOM 1192 C GLN A 95 10.337 6.097 4.959 1.00 0.00 C ATOM 1193 O GLN A 95 10.412 6.938 5.852 1.00 0.00 O ATOM 1194 CB GLN A 95 11.198 3.790 5.631 1.00 0.00 C ATOM 1195 CG GLN A 95 12.401 3.926 4.678 1.00 0.00 C ATOM 1196 CD GLN A 95 13.396 2.768 4.811 1.00 0.00 C ATOM 1197 OE1 GLN A 95 13.861 2.188 3.838 1.00 0.00 O ATOM 1198 NE2 GLN A 95 13.791 2.387 6.010 1.00 0.00 N ATOM 0 H GLN A 95 9.597 3.196 3.810 1.00 0.00 H new ATOM 0 HA GLN A 95 9.335 4.686 6.183 1.00 0.00 H new ATOM 0 HB2 GLN A 95 11.527 4.049 6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.896 2.743 5.654 1.00 0.00 H new ATOM 0 HG2 GLN A 95 12.041 3.974 3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.915 4.866 4.880 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.422 2.851 6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.466 1.628 6.107 1.00 0.00 H new ATOM 1207 N LYS A 96 10.522 6.402 3.667 1.00 0.00 N ATOM 1208 CA LYS A 96 10.891 7.723 3.142 1.00 0.00 C ATOM 1209 C LYS A 96 9.776 8.760 3.317 1.00 0.00 C ATOM 1210 O LYS A 96 10.063 9.929 3.569 1.00 0.00 O ATOM 1211 CB LYS A 96 11.306 7.565 1.668 1.00 0.00 C ATOM 1212 CG LYS A 96 12.300 8.653 1.241 1.00 0.00 C ATOM 1213 CD LYS A 96 12.834 8.412 -0.181 1.00 0.00 C ATOM 1214 CE LYS A 96 11.867 8.836 -1.296 1.00 0.00 C ATOM 1215 NZ LYS A 96 11.804 10.316 -1.447 1.00 0.00 N ATOM 0 H LYS A 96 10.414 5.706 2.929 1.00 0.00 H new ATOM 0 HA LYS A 96 11.732 8.109 3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.755 6.583 1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.421 7.611 1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.814 9.628 1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.134 8.680 1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.771 8.955 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.062 7.352 -0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.182 8.389 -2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.871 8.451 -1.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.140 10.559 -2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.479 10.742 -0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.749 10.682 -1.681 1.00 0.00 H new ATOM 1229 N LEU A 97 8.513 8.331 3.242 1.00 0.00 N ATOM 1230 CA LEU A 97 7.330 9.155 3.487 1.00 0.00 C ATOM 1231 C LEU A 97 7.325 9.672 4.934 1.00 0.00 C ATOM 1232 O LEU A 97 7.225 10.879 5.154 1.00 0.00 O ATOM 1233 CB LEU A 97 6.090 8.312 3.138 1.00 0.00 C ATOM 1234 CG LEU A 97 4.753 8.861 3.631 1.00 0.00 C ATOM 1235 CD1 LEU A 97 4.447 10.282 3.155 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.653 7.892 3.202 1.00 0.00 C ATOM 0 H LEU A 97 8.280 7.368 3.001 1.00 0.00 H new ATOM 0 HA LEU A 97 7.330 10.045 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.040 8.205 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.225 7.312 3.551 1.00 0.00 H new ATOM 0 HG LEU A 97 4.806 8.938 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.481 10.597 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.223 10.960 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.420 10.303 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.687 8.264 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.646 7.808 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.840 6.912 3.641 1.00 0.00 H new ATOM 1248 N ILE A 98 7.476 8.775 5.919 1.00 0.00 N ATOM 1249 CA ILE A 98 7.580 9.187 7.327 1.00 0.00 C ATOM 1250 C ILE A 98 8.873 9.979 7.563 1.00 0.00 C ATOM 1251 O ILE A 98 8.818 11.032 8.185 1.00 0.00 O ATOM 1252 CB ILE A 98 7.454 8.013 8.326 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.236 7.112 8.025 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.288 8.554 9.755 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.586 5.879 7.203 1.00 0.00 C ATOM 0 H ILE A 98 7.529 7.767 5.769 1.00 0.00 H new ATOM 0 HA ILE A 98 6.725 9.835 7.522 1.00 0.00 H new ATOM 0 HB ILE A 98 8.365 7.423 8.227 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.785 6.797 8.966 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.485 7.695 7.491 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.200 7.720 10.452 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.157 9.157 10.019 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.389 9.169 9.809 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.685 5.291 7.028 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.010 6.187 6.247 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.314 5.275 7.745 1.00 0.00 H new ATOM 1267 N ASN A 99 10.024 9.534 7.043 1.00 0.00 N ATOM 1268 CA ASN A 99 11.317 10.215 7.198 1.00 0.00 C ATOM 1269 C ASN A 99 11.289 11.696 6.760 1.00 0.00 C ATOM 1270 O ASN A 99 11.974 12.522 7.363 1.00 0.00 O ATOM 1271 CB ASN A 99 12.385 9.425 6.422 1.00 0.00 C ATOM 1272 CG ASN A 99 13.777 10.026 6.537 1.00 0.00 C ATOM 1273 OD1 ASN A 99 14.207 10.822 5.715 1.00 0.00 O ATOM 1274 ND2 ASN A 99 14.536 9.652 7.541 1.00 0.00 N ATOM 0 H ASN A 99 10.085 8.677 6.494 1.00 0.00 H new ATOM 0 HA ASN A 99 11.559 10.237 8.260 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.408 8.399 6.790 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.102 9.380 5.370 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.481 10.026 7.633 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.181 8.988 8.229 1.00 0.00 H new ATOM 1281 N ASP A 100 10.486 12.049 5.751 1.00 0.00 N ATOM 1282 CA ASP A 100 10.300 13.442 5.320 1.00 0.00 C ATOM 1283 C ASP A 100 9.584 14.293 6.389 1.00 0.00 C ATOM 1284 O ASP A 100 10.101 15.327 6.816 1.00 0.00 O ATOM 1285 CB ASP A 100 9.540 13.482 3.988 1.00 0.00 C ATOM 1286 CG ASP A 100 9.464 14.918 3.444 1.00 0.00 C ATOM 1287 OD1 ASP A 100 10.468 15.394 2.861 1.00 0.00 O ATOM 1288 OD2 ASP A 100 8.409 15.578 3.598 1.00 0.00 O ATOM 0 H ASP A 100 9.945 11.377 5.208 1.00 0.00 H new ATOM 0 HA ASP A 100 11.288 13.881 5.180 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.037 12.839 3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.533 13.087 4.127 1.00 0.00 H new ATOM 1293 N SER A 101 8.407 13.846 6.841 1.00 0.00 N ATOM 1294 CA SER A 101 7.525 14.550 7.790 1.00 0.00 C ATOM 1295 C SER A 101 7.646 14.021 9.234 1.00 0.00 C ATOM 1296 O SER A 101 6.707 14.105 10.026 1.00 0.00 O ATOM 1297 CB SER A 101 6.061 14.530 7.302 1.00 0.00 C ATOM 1298 OG SER A 101 5.941 14.652 5.891 1.00 0.00 O ATOM 0 H SER A 101 8.024 12.948 6.546 1.00 0.00 H new ATOM 0 HA SER A 101 7.863 15.586 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.591 13.600 7.621 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.514 15.344 7.779 1.00 0.00 H new ATOM 0 HG SER A 101 4.994 14.631 5.640 1.00 0.00 H new ATOM 1304 N VAL A 102 8.796 13.456 9.609 1.00 0.00 N ATOM 1305 CA VAL A 102 9.028 12.794 10.907 1.00 0.00 C ATOM 1306 C VAL A 102 8.829 13.730 12.099 1.00 0.00 C ATOM 1307 O VAL A 102 8.167 13.378 13.073 1.00 0.00 O ATOM 1308 CB VAL A 102 10.417 12.122 10.939 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.567 13.091 10.640 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.699 11.435 12.281 1.00 0.00 C ATOM 0 H VAL A 102 9.618 13.443 9.005 1.00 0.00 H new ATOM 0 HA VAL A 102 8.269 12.018 11.005 1.00 0.00 H new ATOM 0 HB VAL A 102 10.376 11.376 10.145 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.515 12.554 10.679 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.433 13.519 9.647 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.572 13.890 11.382 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.688 10.977 12.255 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.662 12.173 13.082 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.948 10.666 12.461 1.00 0.00 H new ATOM 1320 N PHE A 103 9.344 14.955 12.002 1.00 0.00 N ATOM 1321 CA PHE A 103 9.179 16.002 13.015 1.00 0.00 C ATOM 1322 C PHE A 103 7.774 16.634 12.993 1.00 0.00 C ATOM 1323 O PHE A 103 7.446 17.447 13.860 1.00 0.00 O ATOM 1324 CB PHE A 103 10.265 17.067 12.801 1.00 0.00 C ATOM 1325 CG PHE A 103 11.664 16.505 12.594 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.234 15.642 13.551 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.374 16.796 11.412 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.499 15.072 13.327 1.00 0.00 C ATOM 1329 CE2 PHE A 103 13.642 16.231 11.190 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.205 15.368 12.146 1.00 0.00 C ATOM 0 H PHE A 103 9.900 15.256 11.201 1.00 0.00 H new ATOM 0 HA PHE A 103 9.287 15.548 14.000 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.998 17.672 11.935 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.278 17.733 13.663 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.697 15.418 14.460 1.00 0.00 H new ATOM 0 HD2 PHE A 103 11.942 17.456 10.674 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.929 14.407 14.061 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.184 16.460 10.284 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.178 14.933 11.974 1.00 0.00 H new ATOM 1340 N PHE A 104 6.947 16.263 12.009 1.00 0.00 N ATOM 1341 CA PHE A 104 5.569 16.747 11.848 1.00 0.00 C ATOM 1342 C PHE A 104 4.553 15.763 12.451 1.00 0.00 C ATOM 1343 O PHE A 104 3.641 16.173 13.175 1.00 0.00 O ATOM 1344 CB PHE A 104 5.304 17.041 10.360 1.00 0.00 C ATOM 1345 CG PHE A 104 3.844 17.038 9.971 1.00 0.00 C ATOM 1346 CD1 PHE A 104 3.075 18.204 10.129 1.00 0.00 C ATOM 1347 CD2 PHE A 104 3.244 15.851 9.505 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.700 18.175 9.847 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.868 15.820 9.231 1.00 0.00 C ATOM 1350 CZ PHE A 104 1.100 16.980 9.416 1.00 0.00 C ATOM 0 H PHE A 104 7.223 15.601 11.284 1.00 0.00 H new ATOM 0 HA PHE A 104 5.444 17.677 12.403 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.731 18.013 10.113 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.829 16.300 9.757 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.540 19.119 10.466 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.844 14.965 9.359 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.105 19.069 9.961 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.403 14.910 8.880 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.037 16.954 9.225 1.00 0.00 H new ATOM 1360 N LEU A 105 4.719 14.465 12.183 1.00 0.00 N ATOM 1361 CA LEU A 105 3.897 13.394 12.750 1.00 0.00 C ATOM 1362 C LEU A 105 4.071 13.284 14.273 1.00 0.00 C ATOM 1363 O LEU A 105 5.183 13.380 14.798 1.00 0.00 O ATOM 1364 CB LEU A 105 4.271 12.073 12.059 1.00 0.00 C ATOM 1365 CG LEU A 105 3.890 12.012 10.568 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.351 10.680 9.988 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.390 12.181 10.337 1.00 0.00 C ATOM 0 H LEU A 105 5.444 14.123 11.552 1.00 0.00 H new ATOM 0 HA LEU A 105 2.846 13.623 12.573 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.346 11.917 12.155 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.782 11.251 12.582 1.00 0.00 H new ATOM 0 HG LEU A 105 4.387 12.843 10.067 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.084 10.631 8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.432 10.592 10.093 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.867 9.863 10.523 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.178 12.130 9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.851 11.386 10.852 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.069 13.148 10.725 1.00 0.00 H new ATOM 1379 N ALA A 106 2.962 13.067 14.987 1.00 0.00 N ATOM 1380 CA ALA A 106 2.971 12.833 16.431 1.00 0.00 C ATOM 1381 C ALA A 106 3.718 11.531 16.774 1.00 0.00 C ATOM 1382 O ALA A 106 3.731 10.599 15.969 1.00 0.00 O ATOM 1383 CB ALA A 106 1.515 12.773 16.922 1.00 0.00 C ATOM 0 H ALA A 106 2.029 13.049 14.575 1.00 0.00 H new ATOM 0 HA ALA A 106 3.496 13.647 16.931 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.501 12.599 17.998 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.017 13.717 16.701 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.994 11.960 16.416 1.00 0.00 H new ATOM 1389 N ALA A 107 4.254 11.410 17.993 1.00 0.00 N ATOM 1390 CA ALA A 107 4.906 10.182 18.476 1.00 0.00 C ATOM 1391 C ALA A 107 4.015 8.927 18.340 1.00 0.00 C ATOM 1392 O ALA A 107 4.520 7.833 18.085 1.00 0.00 O ATOM 1393 CB ALA A 107 5.364 10.410 19.924 1.00 0.00 C ATOM 0 H ALA A 107 4.249 12.165 18.679 1.00 0.00 H new ATOM 0 HA ALA A 107 5.771 9.978 17.845 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.850 9.509 20.298 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.068 11.242 19.956 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.500 10.641 20.547 1.00 0.00 H new ATOM 1399 N TYR A 108 2.692 9.089 18.461 1.00 0.00 N ATOM 1400 CA TYR A 108 1.697 8.034 18.260 1.00 0.00 C ATOM 1401 C TYR A 108 1.642 7.602 16.783 1.00 0.00 C ATOM 1402 O TYR A 108 1.851 6.434 16.456 1.00 0.00 O ATOM 1403 CB TYR A 108 0.334 8.537 18.765 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.835 7.657 18.364 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -1.042 6.417 18.999 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.684 8.060 17.315 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -2.087 5.573 18.576 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.728 7.220 16.888 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.930 5.969 17.512 1.00 0.00 C ATOM 1410 OH TYR A 108 -3.925 5.149 17.076 1.00 0.00 O ATOM 0 H TYR A 108 2.274 9.986 18.709 1.00 0.00 H new ATOM 0 HA TYR A 108 1.977 7.148 18.830 1.00 0.00 H new ATOM 0 HB2 TYR A 108 0.365 8.609 19.852 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.165 9.544 18.383 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.399 6.113 19.811 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.533 9.017 16.837 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.245 4.623 19.065 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.376 7.532 16.082 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.406 5.581 16.339 1.00 0.00 H new ATOM 1420 N ASP A 109 1.388 8.553 15.882 1.00 0.00 N ATOM 1421 CA ASP A 109 1.211 8.332 14.440 1.00 0.00 C ATOM 1422 C ASP A 109 2.489 7.844 13.743 1.00 0.00 C ATOM 1423 O ASP A 109 2.448 6.965 12.881 1.00 0.00 O ATOM 1424 CB ASP A 109 0.735 9.638 13.792 1.00 0.00 C ATOM 1425 CG ASP A 109 -0.574 9.424 13.016 1.00 0.00 C ATOM 1426 OD1 ASP A 109 -1.648 9.350 13.659 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -0.525 9.309 11.771 1.00 0.00 O ATOM 0 H ASP A 109 1.296 9.535 16.143 1.00 0.00 H new ATOM 0 HA ASP A 109 0.469 7.542 14.319 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.586 10.396 14.561 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.504 10.015 13.118 1.00 0.00 H new ATOM 1432 N LEU A 110 3.638 8.385 14.153 1.00 0.00 N ATOM 1433 CA LEU A 110 4.960 7.980 13.689 1.00 0.00 C ATOM 1434 C LEU A 110 5.209 6.498 13.979 1.00 0.00 C ATOM 1435 O LEU A 110 5.545 5.729 13.076 1.00 0.00 O ATOM 1436 CB LEU A 110 6.021 8.846 14.385 1.00 0.00 C ATOM 1437 CG LEU A 110 7.344 8.808 13.607 1.00 0.00 C ATOM 1438 CD1 LEU A 110 7.348 9.965 12.624 1.00 0.00 C ATOM 1439 CD2 LEU A 110 8.544 8.951 14.532 1.00 0.00 C ATOM 0 H LEU A 110 3.672 9.140 14.838 1.00 0.00 H new ATOM 0 HA LEU A 110 5.020 8.123 12.610 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.667 9.874 14.461 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.180 8.488 15.402 1.00 0.00 H new ATOM 0 HG LEU A 110 7.421 7.847 13.098 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.280 9.959 12.059 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.507 9.863 11.938 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.260 10.905 13.168 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.462 8.919 13.945 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.484 9.902 15.061 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.547 8.134 15.254 1.00 0.00 H new ATOM 1451 N ARG A 111 5.011 6.098 15.242 1.00 0.00 N ATOM 1452 CA ARG A 111 5.171 4.716 15.706 1.00 0.00 C ATOM 1453 C ARG A 111 4.161 3.762 15.067 1.00 0.00 C ATOM 1454 O ARG A 111 4.477 2.598 14.832 1.00 0.00 O ATOM 1455 CB ARG A 111 5.182 4.711 17.247 1.00 0.00 C ATOM 1456 CG ARG A 111 5.714 3.400 17.846 1.00 0.00 C ATOM 1457 CD ARG A 111 6.050 3.550 19.341 1.00 0.00 C ATOM 1458 NE ARG A 111 7.282 4.337 19.572 1.00 0.00 N ATOM 1459 CZ ARG A 111 8.537 3.921 19.491 1.00 0.00 C ATOM 1460 NH1 ARG A 111 8.842 2.698 19.157 1.00 0.00 N ATOM 1461 NH2 ARG A 111 9.524 4.732 19.742 1.00 0.00 N ATOM 0 H ARG A 111 4.730 6.740 15.983 1.00 0.00 H new ATOM 0 HA ARG A 111 6.130 4.320 15.372 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.795 5.540 17.602 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.169 4.884 17.611 1.00 0.00 H new ATOM 0 HG2 ARG A 111 4.970 2.613 17.718 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.606 3.087 17.303 1.00 0.00 H new ATOM 0 HD2 ARG A 111 5.215 4.031 19.851 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.167 2.561 19.784 1.00 0.00 H new ATOM 0 HE ARG A 111 7.149 5.316 19.824 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.103 2.027 18.948 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.820 2.412 19.105 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.335 5.699 20.004 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.486 4.400 19.676 1.00 0.00 H new ATOM 1475 N GLN A 112 2.990 4.280 14.706 1.00 0.00 N ATOM 1476 CA GLN A 112 1.933 3.558 13.985 1.00 0.00 C ATOM 1477 C GLN A 112 2.321 3.277 12.517 1.00 0.00 C ATOM 1478 O GLN A 112 2.014 2.199 12.008 1.00 0.00 O ATOM 1479 CB GLN A 112 0.612 4.350 14.065 1.00 0.00 C ATOM 1480 CG GLN A 112 -0.252 3.966 15.276 1.00 0.00 C ATOM 1481 CD GLN A 112 -1.054 2.690 15.020 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -0.757 1.616 15.527 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -2.093 2.754 14.212 1.00 0.00 N ATOM 0 H GLN A 112 2.737 5.247 14.912 1.00 0.00 H new ATOM 0 HA GLN A 112 1.798 2.589 14.465 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.837 5.416 14.111 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.040 4.184 13.152 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.387 3.825 16.148 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.934 4.783 15.509 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -2.351 3.643 13.783 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -2.639 1.915 14.016 1.00 0.00 H new ATOM 1492 N GLY A 113 3.022 4.200 11.843 1.00 0.00 N ATOM 1493 CA GLY A 113 3.490 4.042 10.459 1.00 0.00 C ATOM 1494 C GLY A 113 4.790 3.240 10.337 1.00 0.00 C ATOM 1495 O GLY A 113 4.889 2.338 9.511 1.00 0.00 O ATOM 0 H GLY A 113 3.285 5.096 12.254 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.713 3.548 9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.639 5.029 10.020 1.00 0.00 H new ATOM 1499 N GLN A 114 5.789 3.524 11.174 1.00 0.00 N ATOM 1500 CA GLN A 114 7.064 2.792 11.181 1.00 0.00 C ATOM 1501 C GLN A 114 6.882 1.287 11.456 1.00 0.00 C ATOM 1502 O GLN A 114 7.447 0.468 10.730 1.00 0.00 O ATOM 1503 CB GLN A 114 8.020 3.443 12.191 1.00 0.00 C ATOM 1504 CG GLN A 114 8.685 4.703 11.608 1.00 0.00 C ATOM 1505 CD GLN A 114 9.470 5.515 12.641 1.00 0.00 C ATOM 1506 OE1 GLN A 114 9.501 5.239 13.834 1.00 0.00 O ATOM 1507 NE2 GLN A 114 10.145 6.563 12.221 1.00 0.00 N ATOM 0 H GLN A 114 5.740 4.269 11.869 1.00 0.00 H new ATOM 0 HA GLN A 114 7.499 2.858 10.184 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.471 3.705 13.096 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.788 2.726 12.481 1.00 0.00 H new ATOM 0 HG2 GLN A 114 9.357 4.409 10.802 1.00 0.00 H new ATOM 0 HG3 GLN A 114 7.917 5.338 11.167 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.135 6.813 11.232 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.679 7.125 12.884 1.00 0.00 H new ATOM 1516 N GLU A 115 6.075 0.892 12.452 1.00 0.00 N ATOM 1517 CA GLU A 115 5.779 -0.535 12.690 1.00 0.00 C ATOM 1518 C GLU A 115 4.933 -1.191 11.589 1.00 0.00 C ATOM 1519 O GLU A 115 5.029 -2.400 11.363 1.00 0.00 O ATOM 1520 CB GLU A 115 5.109 -0.769 14.047 1.00 0.00 C ATOM 1521 CG GLU A 115 6.107 -0.952 15.199 1.00 0.00 C ATOM 1522 CD GLU A 115 5.475 -1.781 16.336 1.00 0.00 C ATOM 1523 OE1 GLU A 115 4.759 -1.211 17.194 1.00 0.00 O ATOM 1524 OE2 GLU A 115 5.691 -3.018 16.378 1.00 0.00 O ATOM 0 H GLU A 115 5.618 1.531 13.102 1.00 0.00 H new ATOM 0 HA GLU A 115 6.758 -1.015 12.680 1.00 0.00 H new ATOM 0 HB2 GLU A 115 4.457 0.075 14.272 1.00 0.00 H new ATOM 0 HB3 GLU A 115 4.475 -1.653 13.982 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.005 -1.450 14.834 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.415 0.022 15.579 1.00 0.00 H new ATOM 1531 N ALA A 116 4.132 -0.405 10.873 1.00 0.00 N ATOM 1532 CA ALA A 116 3.300 -0.897 9.778 1.00 0.00 C ATOM 1533 C ALA A 116 4.128 -1.485 8.624 1.00 0.00 C ATOM 1534 O ALA A 116 3.718 -2.498 8.063 1.00 0.00 O ATOM 1535 CB ALA A 116 2.343 0.196 9.307 1.00 0.00 C ATOM 0 H ALA A 116 4.042 0.598 11.038 1.00 0.00 H new ATOM 0 HA ALA A 116 2.704 -1.726 10.161 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.729 -0.185 8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.700 0.498 10.134 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.916 1.056 8.960 1.00 0.00 H new ATOM 1541 N LEU A 117 5.298 -0.919 8.296 1.00 0.00 N ATOM 1542 CA LEU A 117 6.197 -1.489 7.276 1.00 0.00 C ATOM 1543 C LEU A 117 6.557 -2.952 7.596 1.00 0.00 C ATOM 1544 O LEU A 117 6.540 -3.819 6.720 1.00 0.00 O ATOM 1545 CB LEU A 117 7.503 -0.681 7.191 1.00 0.00 C ATOM 1546 CG LEU A 117 7.453 0.537 6.261 1.00 0.00 C ATOM 1547 CD1 LEU A 117 6.703 1.720 6.864 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.882 0.974 5.974 1.00 0.00 C ATOM 0 H LEU A 117 5.648 -0.062 8.724 1.00 0.00 H new ATOM 0 HA LEU A 117 5.665 -1.446 6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.769 -0.344 8.193 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.301 -1.343 6.855 1.00 0.00 H new ATOM 0 HG LEU A 117 6.920 0.239 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.703 2.550 6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.675 1.428 7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.194 2.030 7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.872 1.841 5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.377 1.237 6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.423 0.158 5.494 1.00 0.00 H new ATOM 1560 N ALA A 118 6.859 -3.227 8.869 1.00 0.00 N ATOM 1561 CA ALA A 118 7.226 -4.557 9.364 1.00 0.00 C ATOM 1562 C ALA A 118 6.076 -5.568 9.220 1.00 0.00 C ATOM 1563 O ALA A 118 6.305 -6.753 8.964 1.00 0.00 O ATOM 1564 CB ALA A 118 7.631 -4.447 10.838 1.00 0.00 C ATOM 0 H ALA A 118 6.855 -2.515 9.600 1.00 0.00 H new ATOM 0 HA ALA A 118 8.058 -4.922 8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.906 -5.432 11.214 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.482 -3.772 10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.794 -4.058 11.417 1.00 0.00 H new ATOM 1570 N ARG A 119 4.830 -5.092 9.351 1.00 0.00 N ATOM 1571 CA ARG A 119 3.612 -5.896 9.189 1.00 0.00 C ATOM 1572 C ARG A 119 3.527 -6.494 7.779 1.00 0.00 C ATOM 1573 O ARG A 119 3.206 -7.672 7.618 1.00 0.00 O ATOM 1574 CB ARG A 119 2.386 -5.026 9.532 1.00 0.00 C ATOM 1575 CG ARG A 119 1.160 -5.847 9.958 1.00 0.00 C ATOM 1576 CD ARG A 119 0.030 -4.907 10.402 1.00 0.00 C ATOM 1577 NE ARG A 119 -1.153 -5.647 10.886 1.00 0.00 N ATOM 1578 CZ ARG A 119 -2.307 -5.139 11.288 1.00 0.00 C ATOM 1579 NH1 ARG A 119 -2.526 -3.856 11.332 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -3.279 -5.917 11.661 1.00 0.00 N ATOM 0 H ARG A 119 4.637 -4.116 9.577 1.00 0.00 H new ATOM 0 HA ARG A 119 3.637 -6.742 9.876 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.651 -4.338 10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 119 2.125 -4.419 8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.822 -6.469 9.129 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.427 -6.519 10.773 1.00 0.00 H new ATOM 0 HD2 ARG A 119 0.395 -4.251 11.193 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -0.259 -4.269 9.567 1.00 0.00 H new ATOM 0 HE ARG A 119 -1.071 -6.663 10.913 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -1.794 -3.204 11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -3.429 -3.503 11.648 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.156 -6.929 11.646 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -4.164 -5.515 11.969 1.00 0.00 H new ATOM 1594 N LEU A 120 3.874 -5.691 6.767 1.00 0.00 N ATOM 1595 CA LEU A 120 3.958 -6.099 5.360 1.00 0.00 C ATOM 1596 C LEU A 120 5.170 -7.022 5.128 1.00 0.00 C ATOM 1597 O LEU A 120 5.025 -8.052 4.477 1.00 0.00 O ATOM 1598 CB LEU A 120 4.007 -4.868 4.426 1.00 0.00 C ATOM 1599 CG LEU A 120 3.098 -3.688 4.822 1.00 0.00 C ATOM 1600 CD1 LEU A 120 3.197 -2.550 3.813 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.621 -4.068 4.958 1.00 0.00 C ATOM 0 H LEU A 120 4.111 -4.709 6.909 1.00 0.00 H new ATOM 0 HA LEU A 120 3.057 -6.662 5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.036 -4.510 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.737 -5.188 3.420 1.00 0.00 H new ATOM 0 HG LEU A 120 3.463 -3.373 5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.544 -1.733 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.226 -2.194 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.892 -2.908 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.043 -3.187 5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.255 -4.454 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.512 -4.834 5.726 1.00 0.00 H new ATOM 1613 N GLN A 121 6.342 -6.699 5.703 1.00 0.00 N ATOM 1614 CA GLN A 121 7.553 -7.540 5.656 1.00 0.00 C ATOM 1615 C GLN A 121 7.296 -8.985 6.106 1.00 0.00 C ATOM 1616 O GLN A 121 7.663 -9.916 5.393 1.00 0.00 O ATOM 1617 CB GLN A 121 8.692 -6.950 6.514 1.00 0.00 C ATOM 1618 CG GLN A 121 9.594 -5.955 5.775 1.00 0.00 C ATOM 1619 CD GLN A 121 11.032 -5.965 6.298 1.00 0.00 C ATOM 1620 OE1 GLN A 121 11.760 -6.942 6.179 1.00 0.00 O ATOM 1621 NE2 GLN A 121 11.513 -4.885 6.875 1.00 0.00 N ATOM 0 H GLN A 121 6.477 -5.832 6.222 1.00 0.00 H new ATOM 0 HA GLN A 121 7.851 -7.553 4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.257 -6.452 7.381 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.307 -7.767 6.891 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.596 -6.193 4.711 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.181 -4.951 5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.924 -4.060 6.984 1.00 0.00 H new ATOM 0 HE22 GLN A 121 12.475 -4.873 7.213 1.00 0.00 H new ATOM 1630 N ALA A 122 6.672 -9.192 7.270 1.00 0.00 N ATOM 1631 CA ALA A 122 6.366 -10.528 7.788 1.00 0.00 C ATOM 1632 C ALA A 122 5.462 -11.334 6.840 1.00 0.00 C ATOM 1633 O ALA A 122 5.775 -12.475 6.494 1.00 0.00 O ATOM 1634 CB ALA A 122 5.735 -10.382 9.177 1.00 0.00 C ATOM 0 H ALA A 122 6.364 -8.435 7.881 1.00 0.00 H new ATOM 0 HA ALA A 122 7.294 -11.095 7.863 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.501 -11.369 9.576 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.435 -9.877 9.843 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.819 -9.795 9.101 1.00 0.00 H new ATOM 1640 N ALA A 123 4.364 -10.729 6.378 1.00 0.00 N ATOM 1641 CA ALA A 123 3.458 -11.336 5.406 1.00 0.00 C ATOM 1642 C ALA A 123 4.163 -11.656 4.066 1.00 0.00 C ATOM 1643 O ALA A 123 3.858 -12.666 3.428 1.00 0.00 O ATOM 1644 CB ALA A 123 2.252 -10.409 5.256 1.00 0.00 C ATOM 0 H ALA A 123 4.079 -9.795 6.673 1.00 0.00 H new ATOM 0 HA ALA A 123 3.116 -12.308 5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.554 -10.834 4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.756 -10.299 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.585 -9.432 4.906 1.00 0.00 H new ATOM 1650 N LEU A 124 5.133 -10.828 3.652 1.00 0.00 N ATOM 1651 CA LEU A 124 5.960 -11.056 2.464 1.00 0.00 C ATOM 1652 C LEU A 124 6.874 -12.270 2.699 1.00 0.00 C ATOM 1653 O LEU A 124 6.945 -13.156 1.851 1.00 0.00 O ATOM 1654 CB LEU A 124 6.785 -9.788 2.138 1.00 0.00 C ATOM 1655 CG LEU A 124 7.261 -9.712 0.676 1.00 0.00 C ATOM 1656 CD1 LEU A 124 6.095 -9.373 -0.250 1.00 0.00 C ATOM 1657 CD2 LEU A 124 8.296 -8.605 0.498 1.00 0.00 C ATOM 0 H LEU A 124 5.367 -9.966 4.144 1.00 0.00 H new ATOM 0 HA LEU A 124 5.319 -11.267 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.182 -8.907 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.654 -9.753 2.795 1.00 0.00 H new ATOM 0 HG LEU A 124 7.688 -10.684 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 124 6.450 -9.323 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 124 5.329 -10.144 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 124 5.673 -8.409 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 124 8.617 -8.571 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.855 -7.647 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 124 9.156 -8.805 1.137 1.00 0.00 H new ATOM 1669 N ALA A 125 7.536 -12.335 3.863 1.00 0.00 N ATOM 1670 CA ALA A 125 8.481 -13.386 4.236 1.00 0.00 C ATOM 1671 C ALA A 125 7.846 -14.792 4.247 1.00 0.00 C ATOM 1672 O ALA A 125 8.455 -15.752 3.770 1.00 0.00 O ATOM 1673 CB ALA A 125 9.116 -13.054 5.592 1.00 0.00 C ATOM 0 H ALA A 125 7.421 -11.631 4.592 1.00 0.00 H new ATOM 0 HA ALA A 125 9.256 -13.415 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.820 -13.840 5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 125 9.643 -12.102 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.337 -12.983 6.351 1.00 0.00 H new ATOM 1679 N GLU A 126 6.606 -14.910 4.735 1.00 0.00 N ATOM 1680 CA GLU A 126 5.822 -16.158 4.738 1.00 0.00 C ATOM 1681 C GLU A 126 5.719 -16.798 3.346 1.00 0.00 C ATOM 1682 O GLU A 126 5.902 -18.010 3.204 1.00 0.00 O ATOM 1683 CB GLU A 126 4.406 -15.898 5.282 1.00 0.00 C ATOM 1684 CG GLU A 126 4.368 -15.730 6.807 1.00 0.00 C ATOM 1685 CD GLU A 126 2.944 -15.489 7.363 1.00 0.00 C ATOM 1686 OE1 GLU A 126 2.021 -15.092 6.610 1.00 0.00 O ATOM 1687 OE2 GLU A 126 2.738 -15.696 8.584 1.00 0.00 O ATOM 0 H GLU A 126 6.105 -14.124 5.149 1.00 0.00 H new ATOM 0 HA GLU A 126 6.353 -16.856 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.002 -15.000 4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 126 3.756 -16.726 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.786 -16.622 7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.007 -14.893 7.089 1.00 0.00 H new ATOM 1694 N ARG A 127 5.452 -15.989 2.311 1.00 0.00 N ATOM 1695 CA ARG A 127 5.387 -16.440 0.911 1.00 0.00 C ATOM 1696 C ARG A 127 6.770 -16.522 0.259 1.00 0.00 C ATOM 1697 O ARG A 127 7.043 -17.456 -0.497 1.00 0.00 O ATOM 1698 CB ARG A 127 4.416 -15.525 0.145 1.00 0.00 C ATOM 1699 CG ARG A 127 3.830 -16.230 -1.090 1.00 0.00 C ATOM 1700 CD ARG A 127 2.568 -15.530 -1.617 1.00 0.00 C ATOM 1701 NE ARG A 127 1.436 -15.638 -0.668 1.00 0.00 N ATOM 1702 CZ ARG A 127 0.678 -16.693 -0.419 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.813 -17.817 -1.065 1.00 0.00 N ATOM 1704 NH2 ARG A 127 -0.239 -16.644 0.504 1.00 0.00 N ATOM 0 H ARG A 127 5.273 -14.991 2.422 1.00 0.00 H new ATOM 0 HA ARG A 127 5.006 -17.461 0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 127 3.607 -15.217 0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.937 -14.619 -0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.582 -16.261 -1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 127 3.591 -17.263 -0.837 1.00 0.00 H new ATOM 0 HD2 ARG A 127 2.787 -14.478 -1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 127 2.283 -15.969 -2.573 1.00 0.00 H new ATOM 0 HE ARG A 127 1.213 -14.794 -0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 127 1.523 -17.905 -1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.209 -18.608 -0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -0.377 -15.788 1.041 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -0.820 -17.462 0.690 1.00 0.00 H new ATOM 1718 N ARG A 128 7.680 -15.605 0.609 1.00 0.00 N ATOM 1719 CA ARG A 128 9.087 -15.564 0.164 1.00 0.00 C ATOM 1720 C ARG A 128 9.807 -16.883 0.433 1.00 0.00 C ATOM 1721 O ARG A 128 10.539 -17.343 -0.434 1.00 0.00 O ATOM 1722 CB ARG A 128 9.804 -14.380 0.834 1.00 0.00 C ATOM 1723 CG ARG A 128 11.259 -14.125 0.398 1.00 0.00 C ATOM 1724 CD ARG A 128 12.266 -14.936 1.230 1.00 0.00 C ATOM 1725 NE ARG A 128 13.654 -14.473 1.043 1.00 0.00 N ATOM 1726 CZ ARG A 128 14.739 -15.047 1.534 1.00 0.00 C ATOM 1727 NH1 ARG A 128 14.685 -16.151 2.228 1.00 0.00 N ATOM 1728 NH2 ARG A 128 15.912 -14.511 1.355 1.00 0.00 N ATOM 0 H ARG A 128 7.450 -14.835 1.238 1.00 0.00 H new ATOM 0 HA ARG A 128 9.105 -15.420 -0.916 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.226 -13.476 0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 128 9.793 -14.540 1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 128 11.371 -14.381 -0.655 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.484 -13.063 0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.002 -14.865 2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.197 -15.988 0.954 1.00 0.00 H new ATOM 0 HE ARG A 128 13.789 -13.632 0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.786 -16.598 2.406 1.00 0.00 H new ATOM 0 HH12 ARG A 128 15.542 -16.567 2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 128 16.000 -13.640 0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 128 16.743 -14.962 1.738 1.00 0.00 H new