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 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.3) 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= 0.00178 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.0221 K(o=-0.022,f=-0.71) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 121 GLN : amide:sc= -2.2 K(o=-2.2,f=-9.4!) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -3.502 18.255 8.940 1.00 0.00 N ATOM 575 CA ASN A 56 -2.537 17.768 7.943 1.00 0.00 C ATOM 576 C ASN A 56 -2.160 16.286 8.181 1.00 0.00 C ATOM 577 O ASN A 56 -1.746 15.599 7.246 1.00 0.00 O ATOM 578 CB ASN A 56 -1.289 18.675 7.944 1.00 0.00 C ATOM 579 CG ASN A 56 -1.404 19.866 7.006 1.00 0.00 C ATOM 580 OD1 ASN A 56 -0.669 19.992 6.037 1.00 0.00 O ATOM 581 ND2 ASN A 56 -2.318 20.779 7.246 1.00 0.00 N ATOM 0 HA ASN A 56 -3.005 17.814 6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.113 19.036 8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.419 18.083 7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.410 21.584 6.626 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.936 20.683 8.052 1.00 0.00 H new ATOM 588 N SER A 57 -2.356 15.764 9.401 1.00 0.00 N ATOM 589 CA SER A 57 -2.141 14.350 9.736 1.00 0.00 C ATOM 590 C SER A 57 -3.067 13.429 8.922 1.00 0.00 C ATOM 591 O SER A 57 -2.670 12.331 8.526 1.00 0.00 O ATOM 592 CB SER A 57 -2.322 14.147 11.246 1.00 0.00 C ATOM 593 OG SER A 57 -1.567 13.033 11.681 1.00 0.00 O ATOM 0 H SER A 57 -2.673 16.322 10.194 1.00 0.00 H new ATOM 0 HA SER A 57 -1.120 14.077 9.468 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.005 15.042 11.782 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.376 13.994 11.476 1.00 0.00 H new ATOM 0 HG SER A 57 -1.688 12.913 12.646 1.00 0.00 H new ATOM 599 N HIS A 58 -4.276 13.901 8.570 1.00 0.00 N ATOM 600 CA HIS A 58 -5.222 13.178 7.705 1.00 0.00 C ATOM 601 C HIS A 58 -4.639 12.923 6.309 1.00 0.00 C ATOM 602 O HIS A 58 -4.822 11.832 5.772 1.00 0.00 O ATOM 603 CB HIS A 58 -6.548 13.952 7.605 1.00 0.00 C ATOM 604 CG HIS A 58 -7.549 13.321 6.664 1.00 0.00 C ATOM 605 ND1 HIS A 58 -8.143 13.948 5.582 1.00 0.00 N ATOM 606 CD2 HIS A 58 -7.984 12.025 6.700 1.00 0.00 C ATOM 607 CE1 HIS A 58 -8.927 13.038 4.965 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.846 11.864 5.628 1.00 0.00 N ATOM 0 H HIS A 58 -4.627 14.806 8.883 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.411 12.206 8.160 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.992 14.025 8.598 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.341 14.969 7.273 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.709 11.273 7.424 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.523 13.220 4.083 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.337 11.004 5.381 1.00 0.00 H new ATOM 617 N PHE A 59 -3.902 13.886 5.739 1.00 0.00 N ATOM 618 CA PHE A 59 -3.227 13.728 4.445 1.00 0.00 C ATOM 619 C PHE A 59 -2.285 12.524 4.473 1.00 0.00 C ATOM 620 O PHE A 59 -2.407 11.631 3.635 1.00 0.00 O ATOM 621 CB PHE A 59 -2.467 15.009 4.048 1.00 0.00 C ATOM 622 CG PHE A 59 -2.073 15.064 2.578 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.110 14.180 2.047 1.00 0.00 C ATOM 624 CD2 PHE A 59 -2.686 16.004 1.726 1.00 0.00 C ATOM 625 CE1 PHE A 59 -0.798 14.205 0.675 1.00 0.00 C ATOM 626 CE2 PHE A 59 -2.357 16.044 0.358 1.00 0.00 C ATOM 627 CZ PHE A 59 -1.423 15.137 -0.170 1.00 0.00 C ATOM 0 H PHE A 59 -3.757 14.801 6.166 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.992 13.550 3.689 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.088 15.874 4.280 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.567 15.089 4.658 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.609 13.479 2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.412 16.697 2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.078 13.508 0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.824 16.774 -0.287 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.186 15.156 -1.223 1.00 0.00 H new ATOM 637 N PHE A 60 -1.379 12.477 5.460 1.00 0.00 N ATOM 638 CA PHE A 60 -0.459 11.359 5.667 1.00 0.00 C ATOM 639 C PHE A 60 -1.212 10.038 5.805 1.00 0.00 C ATOM 640 O PHE A 60 -0.917 9.103 5.071 1.00 0.00 O ATOM 641 CB PHE A 60 0.401 11.590 6.914 1.00 0.00 C ATOM 642 CG PHE A 60 1.191 10.358 7.330 1.00 0.00 C ATOM 643 CD1 PHE A 60 2.126 9.795 6.442 1.00 0.00 C ATOM 644 CD2 PHE A 60 0.926 9.717 8.558 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.775 8.596 6.777 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.598 8.528 8.899 1.00 0.00 C ATOM 647 CZ PHE A 60 2.517 7.963 8.000 1.00 0.00 C ATOM 0 H PHE A 60 -1.266 13.226 6.143 1.00 0.00 H new ATOM 0 HA PHE A 60 0.186 11.302 4.790 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.093 12.411 6.724 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.241 11.898 7.739 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.344 10.284 5.504 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.204 10.141 9.240 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.480 8.158 6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.407 8.052 9.849 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.024 7.043 8.251 1.00 0.00 H new ATOM 657 N VAL A 61 -2.204 9.964 6.697 1.00 0.00 N ATOM 658 CA VAL A 61 -3.027 8.759 6.890 1.00 0.00 C ATOM 659 C VAL A 61 -3.640 8.291 5.563 1.00 0.00 C ATOM 660 O VAL A 61 -3.623 7.096 5.279 1.00 0.00 O ATOM 661 CB VAL A 61 -4.113 9.000 7.956 1.00 0.00 C ATOM 662 CG1 VAL A 61 -5.037 7.784 8.116 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.503 9.313 9.334 1.00 0.00 C ATOM 0 H VAL A 61 -2.462 10.738 7.309 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.378 7.961 7.252 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.687 9.856 7.602 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.788 7.995 8.877 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.531 7.575 7.167 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.449 6.917 8.418 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.302 9.476 10.057 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.886 8.475 9.658 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.888 10.210 9.264 1.00 0.00 H new ATOM 673 N ALA A 62 -4.112 9.216 4.721 1.00 0.00 N ATOM 674 CA ALA A 62 -4.663 8.910 3.399 1.00 0.00 C ATOM 675 C ALA A 62 -3.609 8.276 2.471 1.00 0.00 C ATOM 676 O ALA A 62 -3.775 7.137 2.026 1.00 0.00 O ATOM 677 CB ALA A 62 -5.293 10.170 2.781 1.00 0.00 C ATOM 0 H ALA A 62 -4.122 10.212 4.943 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.449 8.165 3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.699 9.929 1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.094 10.530 3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.533 10.945 2.680 1.00 0.00 H new ATOM 683 N THR A 63 -2.515 8.995 2.190 1.00 0.00 N ATOM 684 CA THR A 63 -1.427 8.527 1.312 1.00 0.00 C ATOM 685 C THR A 63 -0.769 7.239 1.834 1.00 0.00 C ATOM 686 O THR A 63 -0.561 6.297 1.070 1.00 0.00 O ATOM 687 CB THR A 63 -0.411 9.653 1.030 1.00 0.00 C ATOM 688 OG1 THR A 63 0.520 9.240 0.054 1.00 0.00 O ATOM 689 CG2 THR A 63 0.367 10.166 2.224 1.00 0.00 C ATOM 0 H THR A 63 -2.356 9.929 2.568 1.00 0.00 H new ATOM 0 HA THR A 63 -1.871 8.260 0.353 1.00 0.00 H new ATOM 0 HB THR A 63 -1.034 10.481 0.692 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.158 9.964 -0.117 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.048 10.954 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.325 10.565 2.965 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.939 9.349 2.664 1.00 0.00 H new ATOM 697 N PHE A 64 -0.535 7.133 3.146 1.00 0.00 N ATOM 698 CA PHE A 64 0.048 5.968 3.809 1.00 0.00 C ATOM 699 C PHE A 64 -0.846 4.728 3.706 1.00 0.00 C ATOM 700 O PHE A 64 -0.387 3.679 3.257 1.00 0.00 O ATOM 701 CB PHE A 64 0.341 6.304 5.278 1.00 0.00 C ATOM 702 CG PHE A 64 1.094 5.205 5.993 1.00 0.00 C ATOM 703 CD1 PHE A 64 2.496 5.154 5.897 1.00 0.00 C ATOM 704 CD2 PHE A 64 0.398 4.200 6.694 1.00 0.00 C ATOM 705 CE1 PHE A 64 3.193 4.085 6.481 1.00 0.00 C ATOM 706 CE2 PHE A 64 1.106 3.134 7.277 1.00 0.00 C ATOM 707 CZ PHE A 64 2.500 3.070 7.156 1.00 0.00 C ATOM 0 H PHE A 64 -0.756 7.886 3.798 1.00 0.00 H new ATOM 0 HA PHE A 64 0.979 5.725 3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.921 7.226 5.326 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.599 6.491 5.797 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.033 5.933 5.377 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.677 4.248 6.783 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.270 4.044 6.410 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.575 2.365 7.818 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.041 2.239 7.583 1.00 0.00 H new ATOM 717 N ALA A 65 -2.122 4.836 4.095 1.00 0.00 N ATOM 718 CA ALA A 65 -3.087 3.740 4.001 1.00 0.00 C ATOM 719 C ALA A 65 -3.256 3.250 2.553 1.00 0.00 C ATOM 720 O ALA A 65 -3.234 2.046 2.297 1.00 0.00 O ATOM 721 CB ALA A 65 -4.425 4.192 4.585 1.00 0.00 C ATOM 0 H ALA A 65 -2.514 5.693 4.486 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.708 2.896 4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.146 3.377 4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.290 4.470 5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.794 5.051 4.026 1.00 0.00 H new ATOM 727 N ARG A 66 -3.380 4.176 1.595 1.00 0.00 N ATOM 728 CA ARG A 66 -3.477 3.878 0.157 1.00 0.00 C ATOM 729 C ARG A 66 -2.242 3.142 -0.371 1.00 0.00 C ATOM 730 O ARG A 66 -2.377 2.141 -1.073 1.00 0.00 O ATOM 731 CB ARG A 66 -3.756 5.193 -0.586 1.00 0.00 C ATOM 732 CG ARG A 66 -4.024 4.990 -2.082 1.00 0.00 C ATOM 733 CD ARG A 66 -4.523 6.301 -2.699 1.00 0.00 C ATOM 734 NE ARG A 66 -4.738 6.165 -4.151 1.00 0.00 N ATOM 735 CZ ARG A 66 -5.092 7.120 -4.994 1.00 0.00 C ATOM 736 NH1 ARG A 66 -5.318 8.342 -4.599 1.00 0.00 N ATOM 737 NH2 ARG A 66 -5.225 6.862 -6.262 1.00 0.00 N ATOM 0 H ARG A 66 -3.417 5.175 1.800 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.302 3.188 -0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.616 5.685 -0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.904 5.862 -0.462 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.113 4.664 -2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.765 4.204 -2.225 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.455 6.600 -2.218 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.798 7.093 -2.510 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.599 5.236 -4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.223 8.585 -3.613 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.590 9.055 -5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.056 5.919 -6.611 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.498 7.603 -6.907 1.00 0.00 H new ATOM 751 N GLU A 67 -1.043 3.595 -0.004 1.00 0.00 N ATOM 752 CA GLU A 67 0.219 2.945 -0.368 1.00 0.00 C ATOM 753 C GLU A 67 0.359 1.551 0.263 1.00 0.00 C ATOM 754 O GLU A 67 0.604 0.578 -0.454 1.00 0.00 O ATOM 755 CB GLU A 67 1.409 3.822 0.048 1.00 0.00 C ATOM 756 CG GLU A 67 1.747 4.954 -0.930 1.00 0.00 C ATOM 757 CD GLU A 67 2.262 4.417 -2.279 1.00 0.00 C ATOM 758 OE1 GLU A 67 3.375 3.840 -2.325 1.00 0.00 O ATOM 759 OE2 GLU A 67 1.559 4.572 -3.307 1.00 0.00 O ATOM 0 H GLU A 67 -0.918 4.434 0.562 1.00 0.00 H new ATOM 0 HA GLU A 67 0.213 2.820 -1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.198 4.256 1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.287 3.187 0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.860 5.565 -1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.502 5.603 -0.486 1.00 0.00 H new ATOM 766 N ARG A 68 0.195 1.427 1.592 1.00 0.00 N ATOM 767 CA ARG A 68 0.389 0.152 2.308 1.00 0.00 C ATOM 768 C ARG A 68 -0.584 -0.904 1.792 1.00 0.00 C ATOM 769 O ARG A 68 -0.194 -2.050 1.600 1.00 0.00 O ATOM 770 CB ARG A 68 0.335 0.344 3.844 1.00 0.00 C ATOM 771 CG ARG A 68 -1.091 0.410 4.416 1.00 0.00 C ATOM 772 CD ARG A 68 -1.149 0.622 5.928 1.00 0.00 C ATOM 773 NE ARG A 68 -0.613 -0.540 6.664 1.00 0.00 N ATOM 774 CZ ARG A 68 -0.598 -0.722 7.971 1.00 0.00 C ATOM 775 NH1 ARG A 68 -1.094 0.153 8.799 1.00 0.00 N ATOM 776 NH2 ARG A 68 -0.058 -1.792 8.481 1.00 0.00 N ATOM 0 H ARG A 68 -0.074 2.202 2.198 1.00 0.00 H new ATOM 0 HA ARG A 68 1.393 -0.218 2.098 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.869 -0.477 4.322 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.863 1.262 4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.630 1.221 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.613 -0.515 4.170 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.581 1.514 6.192 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.181 0.800 6.231 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.209 -1.286 6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.512 1.013 8.443 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.065 -0.022 9.804 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.357 -2.495 7.869 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.050 -1.927 9.492 1.00 0.00 H new ATOM 790 N ALA A 69 -1.820 -0.493 1.503 1.00 0.00 N ATOM 791 CA ALA A 69 -2.863 -1.340 0.930 1.00 0.00 C ATOM 792 C ALA A 69 -2.473 -1.883 -0.454 1.00 0.00 C ATOM 793 O ALA A 69 -2.591 -3.084 -0.692 1.00 0.00 O ATOM 794 CB ALA A 69 -4.178 -0.554 0.871 1.00 0.00 C ATOM 0 H ALA A 69 -2.130 0.465 1.666 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.993 -2.210 1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.959 -1.183 0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.466 -0.251 1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.045 0.332 0.250 1.00 0.00 H new ATOM 800 N ALA A 70 -1.971 -1.028 -1.353 1.00 0.00 N ATOM 801 CA ALA A 70 -1.508 -1.440 -2.679 1.00 0.00 C ATOM 802 C ALA A 70 -0.413 -2.525 -2.603 1.00 0.00 C ATOM 803 O ALA A 70 -0.498 -3.541 -3.298 1.00 0.00 O ATOM 804 CB ALA A 70 -1.041 -0.201 -3.453 1.00 0.00 C ATOM 0 H ALA A 70 -1.875 -0.028 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.338 -1.900 -3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.694 -0.499 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.871 0.498 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.226 0.280 -2.913 1.00 0.00 H new ATOM 810 N VAL A 71 0.590 -2.348 -1.734 1.00 0.00 N ATOM 811 CA VAL A 71 1.669 -3.333 -1.537 1.00 0.00 C ATOM 812 C VAL A 71 1.182 -4.608 -0.830 1.00 0.00 C ATOM 813 O VAL A 71 1.546 -5.715 -1.229 1.00 0.00 O ATOM 814 CB VAL A 71 2.872 -2.723 -0.795 1.00 0.00 C ATOM 815 CG1 VAL A 71 4.025 -3.738 -0.749 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.374 -1.451 -1.496 1.00 0.00 C ATOM 0 H VAL A 71 0.679 -1.519 -1.146 1.00 0.00 H new ATOM 0 HA VAL A 71 1.999 -3.623 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 71 2.544 -2.469 0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.874 -3.301 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.698 -4.637 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.322 -3.997 -1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.224 -1.045 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.681 -1.693 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.574 -0.712 -1.525 1.00 0.00 H new ATOM 826 N GLU A 72 0.327 -4.481 0.187 1.00 0.00 N ATOM 827 CA GLU A 72 -0.302 -5.612 0.884 1.00 0.00 C ATOM 828 C GLU A 72 -1.162 -6.472 -0.065 1.00 0.00 C ATOM 829 O GLU A 72 -1.250 -7.688 0.104 1.00 0.00 O ATOM 830 CB GLU A 72 -1.087 -5.079 2.095 1.00 0.00 C ATOM 831 CG GLU A 72 -1.472 -6.136 3.144 1.00 0.00 C ATOM 832 CD GLU A 72 -2.754 -6.936 2.823 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.746 -6.348 2.327 1.00 0.00 O ATOM 834 OE2 GLU A 72 -2.807 -8.145 3.155 1.00 0.00 O ATOM 0 H GLU A 72 0.045 -3.574 0.558 1.00 0.00 H new ATOM 0 HA GLU A 72 0.472 -6.287 1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.491 -4.307 2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.997 -4.600 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.643 -6.835 3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.602 -5.641 4.106 1.00 0.00 H new ATOM 841 N GLU A 73 -1.754 -5.872 -1.103 1.00 0.00 N ATOM 842 CA GLU A 73 -2.507 -6.591 -2.136 1.00 0.00 C ATOM 843 C GLU A 73 -1.571 -7.227 -3.188 1.00 0.00 C ATOM 844 O GLU A 73 -1.816 -8.342 -3.652 1.00 0.00 O ATOM 845 CB GLU A 73 -3.514 -5.636 -2.804 1.00 0.00 C ATOM 846 CG GLU A 73 -4.749 -6.366 -3.349 1.00 0.00 C ATOM 847 CD GLU A 73 -5.727 -6.754 -2.219 1.00 0.00 C ATOM 848 OE1 GLU A 73 -6.610 -5.932 -1.868 1.00 0.00 O ATOM 849 OE2 GLU A 73 -5.640 -7.890 -1.693 1.00 0.00 O ATOM 0 H GLU A 73 -1.724 -4.863 -1.251 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.050 -7.406 -1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.831 -4.884 -2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.021 -5.106 -3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.260 -5.728 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.436 -7.263 -3.883 1.00 0.00 H new ATOM 856 N LEU A 74 -0.469 -6.551 -3.540 1.00 0.00 N ATOM 857 CA LEU A 74 0.572 -7.061 -4.440 1.00 0.00 C ATOM 858 C LEU A 74 1.231 -8.335 -3.895 1.00 0.00 C ATOM 859 O LEU A 74 1.291 -9.330 -4.615 1.00 0.00 O ATOM 860 CB LEU A 74 1.598 -5.949 -4.736 1.00 0.00 C ATOM 861 CG LEU A 74 2.835 -6.394 -5.543 1.00 0.00 C ATOM 862 CD1 LEU A 74 2.502 -7.058 -6.882 1.00 0.00 C ATOM 863 CD2 LEU A 74 3.719 -5.177 -5.815 1.00 0.00 C ATOM 0 H LEU A 74 -0.273 -5.610 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 74 0.104 -7.350 -5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.096 -5.150 -5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.935 -5.526 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 74 3.342 -7.143 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.425 -7.341 -7.387 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.897 -7.947 -6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.946 -6.359 -7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.596 -5.484 -6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.156 -4.438 -6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.037 -4.739 -4.869 1.00 0.00 H new ATOM 875 N LEU A 75 1.704 -8.344 -2.640 1.00 0.00 N ATOM 876 CA LEU A 75 2.356 -9.529 -2.055 1.00 0.00 C ATOM 877 C LEU A 75 1.455 -10.777 -2.036 1.00 0.00 C ATOM 878 O LEU A 75 1.949 -11.897 -2.166 1.00 0.00 O ATOM 879 CB LEU A 75 2.959 -9.200 -0.678 1.00 0.00 C ATOM 880 CG LEU A 75 1.988 -8.963 0.494 1.00 0.00 C ATOM 881 CD1 LEU A 75 1.643 -10.255 1.246 1.00 0.00 C ATOM 882 CD2 LEU A 75 2.616 -8.015 1.519 1.00 0.00 C ATOM 0 H LEU A 75 1.648 -7.545 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 75 3.180 -9.798 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.625 -10.017 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.576 -8.308 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 75 1.084 -8.545 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.956 -10.029 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.173 -10.961 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.554 -10.695 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.919 -7.856 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.537 -8.453 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.839 -7.060 1.043 1.00 0.00 H new ATOM 894 N GLU A 76 0.138 -10.591 -1.920 1.00 0.00 N ATOM 895 CA GLU A 76 -0.877 -11.651 -1.988 1.00 0.00 C ATOM 896 C GLU A 76 -1.081 -12.195 -3.416 1.00 0.00 C ATOM 897 O GLU A 76 -1.387 -13.377 -3.593 1.00 0.00 O ATOM 898 CB GLU A 76 -2.213 -11.095 -1.462 1.00 0.00 C ATOM 899 CG GLU A 76 -2.373 -11.222 0.062 1.00 0.00 C ATOM 900 CD GLU A 76 -2.776 -12.636 0.539 1.00 0.00 C ATOM 901 OE1 GLU A 76 -2.473 -13.648 -0.140 1.00 0.00 O ATOM 902 OE2 GLU A 76 -3.402 -12.752 1.621 1.00 0.00 O ATOM 0 H GLU A 76 -0.268 -9.667 -1.771 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.525 -12.481 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.296 -10.045 -1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.034 -11.620 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.434 -10.943 0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.126 -10.509 0.398 1.00 0.00 H new ATOM 909 N ARG A 77 -0.875 -11.362 -4.445 1.00 0.00 N ATOM 910 CA ARG A 77 -0.970 -11.729 -5.872 1.00 0.00 C ATOM 911 C ARG A 77 0.384 -12.037 -6.533 1.00 0.00 C ATOM 912 O ARG A 77 0.448 -12.320 -7.730 1.00 0.00 O ATOM 913 CB ARG A 77 -1.769 -10.656 -6.635 1.00 0.00 C ATOM 914 CG ARG A 77 -3.243 -10.663 -6.194 1.00 0.00 C ATOM 915 CD ARG A 77 -4.147 -9.973 -7.220 1.00 0.00 C ATOM 916 NE ARG A 77 -5.568 -10.275 -6.961 1.00 0.00 N ATOM 917 CZ ARG A 77 -6.617 -9.823 -7.627 1.00 0.00 C ATOM 918 NH1 ARG A 77 -6.504 -8.940 -8.578 1.00 0.00 N ATOM 919 NH2 ARG A 77 -7.811 -10.262 -7.351 1.00 0.00 N ATOM 0 H ARG A 77 -0.630 -10.382 -4.307 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.510 -12.674 -5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.334 -9.673 -6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.704 -10.840 -7.707 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.575 -11.691 -6.051 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.337 -10.161 -5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.988 -8.895 -7.183 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.879 -10.301 -8.224 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.763 -10.903 -6.181 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.585 -8.576 -8.829 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.335 -8.613 -9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.941 -10.959 -6.617 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.616 -9.909 -7.868 1.00 0.00 H new ATOM 933 N ALA A 78 1.468 -12.021 -5.760 1.00 0.00 N ATOM 934 CA ALA A 78 2.826 -12.353 -6.180 1.00 0.00 C ATOM 935 C ALA A 78 3.064 -13.876 -6.302 1.00 0.00 C ATOM 936 O ALA A 78 3.806 -14.469 -5.522 1.00 0.00 O ATOM 937 CB ALA A 78 3.796 -11.678 -5.202 1.00 0.00 C ATOM 0 H ALA A 78 1.419 -11.763 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 78 2.998 -11.975 -7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.822 -11.908 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.645 -10.599 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.611 -12.047 -4.193 1.00 0.00 H new ATOM 943 N GLU A 79 2.423 -14.528 -7.278 1.00 0.00 N ATOM 944 CA GLU A 79 2.590 -15.968 -7.564 1.00 0.00 C ATOM 945 C GLU A 79 3.999 -16.317 -8.090 1.00 0.00 C ATOM 946 O GLU A 79 4.437 -17.462 -7.991 1.00 0.00 O ATOM 947 CB GLU A 79 1.497 -16.406 -8.557 1.00 0.00 C ATOM 948 CG GLU A 79 1.133 -17.902 -8.509 1.00 0.00 C ATOM 949 CD GLU A 79 2.111 -18.853 -9.237 1.00 0.00 C ATOM 950 OE1 GLU A 79 2.471 -18.591 -10.411 1.00 0.00 O ATOM 951 OE2 GLU A 79 2.452 -19.921 -8.670 1.00 0.00 O ATOM 0 H GLU A 79 1.762 -14.068 -7.904 1.00 0.00 H new ATOM 0 HA GLU A 79 2.484 -16.517 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.597 -15.822 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.825 -16.160 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.067 -18.208 -7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.141 -18.030 -8.942 1.00 0.00 H new ATOM 958 N SER A 80 4.732 -15.320 -8.596 1.00 0.00 N ATOM 959 CA SER A 80 6.124 -15.420 -9.051 1.00 0.00 C ATOM 960 C SER A 80 7.048 -14.607 -8.144 1.00 0.00 C ATOM 961 O SER A 80 6.682 -13.530 -7.665 1.00 0.00 O ATOM 962 CB SER A 80 6.258 -14.911 -10.494 1.00 0.00 C ATOM 963 OG SER A 80 5.608 -15.777 -11.412 1.00 0.00 O ATOM 0 H SER A 80 4.355 -14.379 -8.705 1.00 0.00 H new ATOM 0 HA SER A 80 6.413 -16.470 -9.010 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.830 -13.911 -10.570 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.313 -14.827 -10.755 1.00 0.00 H new ATOM 0 HG SER A 80 5.709 -15.426 -12.321 1.00 0.00 H new ATOM 969 N VAL A 81 8.284 -15.087 -7.976 1.00 0.00 N ATOM 970 CA VAL A 81 9.365 -14.426 -7.219 1.00 0.00 C ATOM 971 C VAL A 81 9.568 -12.973 -7.661 1.00 0.00 C ATOM 972 O VAL A 81 9.735 -12.099 -6.819 1.00 0.00 O ATOM 973 CB VAL A 81 10.686 -15.210 -7.367 1.00 0.00 C ATOM 974 CG1 VAL A 81 11.836 -14.536 -6.610 1.00 0.00 C ATOM 975 CG2 VAL A 81 10.573 -16.641 -6.831 1.00 0.00 C ATOM 0 H VAL A 81 8.575 -15.979 -8.376 1.00 0.00 H new ATOM 0 HA VAL A 81 9.066 -14.417 -6.171 1.00 0.00 H new ATOM 0 HB VAL A 81 10.891 -15.226 -8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.748 -15.119 -6.739 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.989 -13.530 -7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.589 -14.479 -5.550 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.527 -17.153 -6.957 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.313 -16.614 -5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.799 -17.176 -7.381 1.00 0.00 H new ATOM 985 N GLU A 82 9.490 -12.690 -8.964 1.00 0.00 N ATOM 986 CA GLU A 82 9.618 -11.335 -9.524 1.00 0.00 C ATOM 987 C GLU A 82 8.609 -10.344 -8.911 1.00 0.00 C ATOM 988 O GLU A 82 8.999 -9.268 -8.449 1.00 0.00 O ATOM 989 CB GLU A 82 9.449 -11.379 -11.052 1.00 0.00 C ATOM 990 CG GLU A 82 10.509 -12.221 -11.783 1.00 0.00 C ATOM 991 CD GLU A 82 11.949 -11.710 -11.569 1.00 0.00 C ATOM 992 OE1 GLU A 82 12.218 -10.507 -11.801 1.00 0.00 O ATOM 993 OE2 GLU A 82 12.832 -12.521 -11.197 1.00 0.00 O ATOM 0 H GLU A 82 9.334 -13.405 -9.674 1.00 0.00 H new ATOM 0 HA GLU A 82 10.616 -10.976 -9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.462 -11.777 -11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.481 -10.360 -11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.443 -13.253 -11.440 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.287 -12.225 -12.850 1.00 0.00 H new ATOM 1000 N ARG A 83 7.319 -10.716 -8.854 1.00 0.00 N ATOM 1001 CA ARG A 83 6.268 -9.915 -8.201 1.00 0.00 C ATOM 1002 C ARG A 83 6.456 -9.796 -6.683 1.00 0.00 C ATOM 1003 O ARG A 83 6.028 -8.806 -6.093 1.00 0.00 O ATOM 1004 CB ARG A 83 4.867 -10.476 -8.499 1.00 0.00 C ATOM 1005 CG ARG A 83 4.314 -10.054 -9.867 1.00 0.00 C ATOM 1006 CD ARG A 83 2.802 -10.314 -9.941 1.00 0.00 C ATOM 1007 NE ARG A 83 2.166 -9.522 -11.011 1.00 0.00 N ATOM 1008 CZ ARG A 83 0.872 -9.369 -11.219 1.00 0.00 C ATOM 1009 NH1 ARG A 83 -0.024 -10.024 -10.532 1.00 0.00 N ATOM 1010 NH2 ARG A 83 0.445 -8.541 -12.130 1.00 0.00 N ATOM 0 H ARG A 83 6.974 -11.585 -9.261 1.00 0.00 H new ATOM 0 HA ARG A 83 6.359 -8.915 -8.626 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.903 -11.564 -8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.179 -10.145 -7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.516 -8.996 -10.036 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.823 -10.606 -10.657 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.623 -11.375 -10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.343 -10.068 -8.984 1.00 0.00 H new ATOM 0 HE ARG A 83 2.792 -9.042 -11.658 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.268 -10.679 -9.807 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.016 -9.880 -10.720 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.112 -8.007 -12.687 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.556 -8.427 -12.286 1.00 0.00 H new ATOM 1024 N LEU A 84 7.086 -10.782 -6.044 1.00 0.00 N ATOM 1025 CA LEU A 84 7.371 -10.767 -4.607 1.00 0.00 C ATOM 1026 C LEU A 84 8.523 -9.798 -4.282 1.00 0.00 C ATOM 1027 O LEU A 84 8.407 -8.952 -3.396 1.00 0.00 O ATOM 1028 CB LEU A 84 7.691 -12.202 -4.149 1.00 0.00 C ATOM 1029 CG LEU A 84 7.463 -12.403 -2.642 1.00 0.00 C ATOM 1030 CD1 LEU A 84 6.003 -12.739 -2.327 1.00 0.00 C ATOM 1031 CD2 LEU A 84 8.354 -13.525 -2.127 1.00 0.00 C ATOM 0 H LEU A 84 7.417 -11.624 -6.514 1.00 0.00 H new ATOM 0 HA LEU A 84 6.497 -10.408 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.069 -12.904 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.728 -12.434 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 84 7.713 -11.465 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.884 -12.873 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.361 -11.925 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.722 -13.659 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.187 -13.661 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.115 -14.450 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.399 -13.269 -2.301 1.00 0.00 H new ATOM 1043 N GLU A 85 9.631 -9.899 -5.021 1.00 0.00 N ATOM 1044 CA GLU A 85 10.801 -9.025 -4.895 1.00 0.00 C ATOM 1045 C GLU A 85 10.472 -7.558 -5.207 1.00 0.00 C ATOM 1046 O GLU A 85 10.889 -6.673 -4.458 1.00 0.00 O ATOM 1047 CB GLU A 85 11.945 -9.511 -5.799 1.00 0.00 C ATOM 1048 CG GLU A 85 12.597 -10.802 -5.285 1.00 0.00 C ATOM 1049 CD GLU A 85 13.928 -11.075 -6.013 1.00 0.00 C ATOM 1050 OE1 GLU A 85 13.917 -11.406 -7.223 1.00 0.00 O ATOM 1051 OE2 GLU A 85 15.004 -10.950 -5.376 1.00 0.00 O ATOM 0 H GLU A 85 9.742 -10.610 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 85 11.119 -9.076 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.562 -9.678 -6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.702 -8.730 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.774 -10.722 -4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.918 -11.641 -5.434 1.00 0.00 H new ATOM 1058 N GLU A 86 9.705 -7.274 -6.268 1.00 0.00 N ATOM 1059 CA GLU A 86 9.299 -5.894 -6.576 1.00 0.00 C ATOM 1060 C GLU A 86 8.405 -5.284 -5.477 1.00 0.00 C ATOM 1061 O GLU A 86 8.561 -4.107 -5.154 1.00 0.00 O ATOM 1062 CB GLU A 86 8.686 -5.783 -7.987 1.00 0.00 C ATOM 1063 CG GLU A 86 7.224 -6.227 -8.087 1.00 0.00 C ATOM 1064 CD GLU A 86 6.658 -6.224 -9.527 1.00 0.00 C ATOM 1065 OE1 GLU A 86 7.420 -6.113 -10.518 1.00 0.00 O ATOM 1066 OE2 GLU A 86 5.417 -6.332 -9.675 1.00 0.00 O ATOM 0 H GLU A 86 9.355 -7.973 -6.923 1.00 0.00 H new ATOM 0 HA GLU A 86 10.204 -5.286 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.761 -4.748 -8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.281 -6.383 -8.675 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.132 -7.232 -7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.613 -5.571 -7.467 1.00 0.00 H new ATOM 1073 N ALA A 87 7.533 -6.076 -4.831 1.00 0.00 N ATOM 1074 CA ALA A 87 6.705 -5.626 -3.705 1.00 0.00 C ATOM 1075 C ALA A 87 7.560 -5.073 -2.549 1.00 0.00 C ATOM 1076 O ALA A 87 7.259 -4.018 -1.986 1.00 0.00 O ATOM 1077 CB ALA A 87 5.809 -6.777 -3.230 1.00 0.00 C ATOM 0 H ALA A 87 7.383 -7.054 -5.079 1.00 0.00 H new ATOM 0 HA ALA A 87 6.076 -4.805 -4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.196 -6.440 -2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.163 -7.097 -4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.430 -7.613 -2.910 1.00 0.00 H new ATOM 1083 N ALA A 88 8.667 -5.753 -2.234 1.00 0.00 N ATOM 1084 CA ALA A 88 9.641 -5.311 -1.238 1.00 0.00 C ATOM 1085 C ALA A 88 10.273 -3.944 -1.581 1.00 0.00 C ATOM 1086 O ALA A 88 10.614 -3.186 -0.677 1.00 0.00 O ATOM 1087 CB ALA A 88 10.698 -6.409 -1.032 1.00 0.00 C ATOM 0 H ALA A 88 8.913 -6.640 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 88 9.115 -5.150 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.425 -6.080 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.212 -7.321 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.207 -6.605 -1.976 1.00 0.00 H new ATOM 1093 N SER A 89 10.382 -3.580 -2.861 1.00 0.00 N ATOM 1094 CA SER A 89 10.870 -2.262 -3.303 1.00 0.00 C ATOM 1095 C SER A 89 9.784 -1.186 -3.209 1.00 0.00 C ATOM 1096 O SER A 89 10.079 -0.048 -2.839 1.00 0.00 O ATOM 1097 CB SER A 89 11.407 -2.321 -4.738 1.00 0.00 C ATOM 1098 OG SER A 89 12.396 -3.331 -4.878 1.00 0.00 O ATOM 0 H SER A 89 10.132 -4.197 -3.633 1.00 0.00 H new ATOM 0 HA SER A 89 11.681 -1.991 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.586 -2.515 -5.428 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.830 -1.354 -5.010 1.00 0.00 H new ATOM 0 HG SER A 89 12.719 -3.347 -5.803 1.00 0.00 H new ATOM 1104 N ARG A 90 8.519 -1.537 -3.484 1.00 0.00 N ATOM 1105 CA ARG A 90 7.369 -0.626 -3.329 1.00 0.00 C ATOM 1106 C ARG A 90 7.192 -0.197 -1.867 1.00 0.00 C ATOM 1107 O ARG A 90 7.035 0.992 -1.593 1.00 0.00 O ATOM 1108 CB ARG A 90 6.082 -1.260 -3.889 1.00 0.00 C ATOM 1109 CG ARG A 90 6.130 -1.638 -5.382 1.00 0.00 C ATOM 1110 CD ARG A 90 6.443 -0.477 -6.332 1.00 0.00 C ATOM 1111 NE ARG A 90 5.344 0.509 -6.380 1.00 0.00 N ATOM 1112 CZ ARG A 90 5.206 1.510 -7.231 1.00 0.00 C ATOM 1113 NH1 ARG A 90 6.101 1.775 -8.141 1.00 0.00 N ATOM 1114 NH2 ARG A 90 4.151 2.271 -7.187 1.00 0.00 N ATOM 0 H ARG A 90 8.261 -2.464 -3.822 1.00 0.00 H new ATOM 0 HA ARG A 90 7.575 0.273 -3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.857 -2.156 -3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.257 -0.565 -3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.882 -2.415 -5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.170 -2.070 -5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.360 0.017 -6.011 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.625 -0.867 -7.334 1.00 0.00 H new ATOM 0 HE ARG A 90 4.611 0.405 -5.679 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.941 1.201 -8.212 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.961 2.556 -8.782 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.425 2.096 -6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.051 3.042 -7.847 1.00 0.00 H new ATOM 1128 N LEU A 91 7.280 -1.139 -0.921 1.00 0.00 N ATOM 1129 CA LEU A 91 7.162 -0.847 0.517 1.00 0.00 C ATOM 1130 C LEU A 91 8.372 -0.077 1.085 1.00 0.00 C ATOM 1131 O LEU A 91 8.214 0.740 1.989 1.00 0.00 O ATOM 1132 CB LEU A 91 6.836 -2.151 1.275 1.00 0.00 C ATOM 1133 CG LEU A 91 8.022 -3.006 1.748 1.00 0.00 C ATOM 1134 CD1 LEU A 91 8.532 -2.567 3.127 1.00 0.00 C ATOM 1135 CD2 LEU A 91 7.591 -4.478 1.801 1.00 0.00 C ATOM 0 H LEU A 91 7.435 -2.126 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 91 6.332 -0.156 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.237 -1.893 2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.211 -2.769 0.630 1.00 0.00 H new ATOM 0 HG LEU A 91 8.839 -2.874 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.370 -3.198 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.858 -1.528 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.730 -2.663 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.428 -5.090 2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.759 -4.589 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.279 -4.802 0.808 1.00 0.00 H new ATOM 1147 N GLN A 92 9.579 -0.272 0.541 1.00 0.00 N ATOM 1148 CA GLN A 92 10.786 0.461 0.959 1.00 0.00 C ATOM 1149 C GLN A 92 10.684 1.986 0.753 1.00 0.00 C ATOM 1150 O GLN A 92 11.318 2.755 1.478 1.00 0.00 O ATOM 1151 CB GLN A 92 12.012 -0.125 0.234 1.00 0.00 C ATOM 1152 CG GLN A 92 12.567 -1.385 0.922 1.00 0.00 C ATOM 1153 CD GLN A 92 13.422 -1.096 2.158 1.00 0.00 C ATOM 1154 OE1 GLN A 92 14.295 -0.239 2.171 1.00 0.00 O ATOM 1155 NE2 GLN A 92 13.230 -1.822 3.241 1.00 0.00 N ATOM 0 H GLN A 92 9.750 -0.946 -0.206 1.00 0.00 H new ATOM 0 HA GLN A 92 10.895 0.327 2.035 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.739 -0.368 -0.793 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.795 0.631 0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.733 -2.025 1.211 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.164 -1.945 0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.507 -2.542 3.251 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.804 -1.664 4.069 1.00 0.00 H new ATOM 1164 N GLY A 93 9.836 2.434 -0.176 1.00 0.00 N ATOM 1165 CA GLY A 93 9.543 3.853 -0.425 1.00 0.00 C ATOM 1166 C GLY A 93 8.502 4.446 0.535 1.00 0.00 C ATOM 1167 O GLY A 93 8.443 5.663 0.706 1.00 0.00 O ATOM 0 H GLY A 93 9.320 1.807 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.467 4.425 -0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.187 3.967 -1.449 1.00 0.00 H new ATOM 1171 N LEU A 94 7.711 3.604 1.209 1.00 0.00 N ATOM 1172 CA LEU A 94 6.751 4.025 2.231 1.00 0.00 C ATOM 1173 C LEU A 94 7.452 4.544 3.497 1.00 0.00 C ATOM 1174 O LEU A 94 6.993 5.523 4.072 1.00 0.00 O ATOM 1175 CB LEU A 94 5.798 2.863 2.553 1.00 0.00 C ATOM 1176 CG LEU A 94 4.345 3.080 2.130 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.547 1.828 2.482 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.690 4.272 2.824 1.00 0.00 C ATOM 0 H LEU A 94 7.721 2.596 1.056 1.00 0.00 H new ATOM 0 HA LEU A 94 6.171 4.859 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.171 1.962 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.824 2.679 3.627 1.00 0.00 H new ATOM 0 HG LEU A 94 4.347 3.282 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.507 1.965 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.964 0.970 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.599 1.653 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.660 4.372 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.699 4.115 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.242 5.181 2.585 1.00 0.00 H new ATOM 1190 N GLN A 95 8.580 3.958 3.922 1.00 0.00 N ATOM 1191 CA GLN A 95 9.344 4.489 5.067 1.00 0.00 C ATOM 1192 C GLN A 95 9.854 5.926 4.814 1.00 0.00 C ATOM 1193 O GLN A 95 9.901 6.743 5.738 1.00 0.00 O ATOM 1194 CB GLN A 95 10.505 3.553 5.451 1.00 0.00 C ATOM 1195 CG GLN A 95 10.047 2.415 6.383 1.00 0.00 C ATOM 1196 CD GLN A 95 11.207 1.640 7.018 1.00 0.00 C ATOM 1197 OE1 GLN A 95 12.364 1.723 6.622 1.00 0.00 O ATOM 1198 NE2 GLN A 95 10.946 0.842 8.034 1.00 0.00 N ATOM 0 H GLN A 95 8.984 3.123 3.497 1.00 0.00 H new ATOM 0 HA GLN A 95 8.654 4.535 5.909 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.941 3.128 4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.288 4.130 5.942 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.424 2.832 7.174 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.424 1.722 5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.991 0.755 8.382 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.699 0.311 8.472 1.00 0.00 H new ATOM 1207 N LYS A 96 10.177 6.275 3.558 1.00 0.00 N ATOM 1208 CA LYS A 96 10.597 7.633 3.161 1.00 0.00 C ATOM 1209 C LYS A 96 9.494 8.694 3.273 1.00 0.00 C ATOM 1210 O LYS A 96 9.812 9.857 3.520 1.00 0.00 O ATOM 1211 CB LYS A 96 11.207 7.617 1.745 1.00 0.00 C ATOM 1212 CG LYS A 96 12.688 7.204 1.730 1.00 0.00 C ATOM 1213 CD LYS A 96 13.598 8.270 2.374 1.00 0.00 C ATOM 1214 CE LYS A 96 15.095 8.001 2.168 1.00 0.00 C ATOM 1215 NZ LYS A 96 15.536 6.723 2.788 1.00 0.00 N ATOM 0 H LYS A 96 10.154 5.616 2.780 1.00 0.00 H new ATOM 0 HA LYS A 96 11.357 7.932 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.638 6.930 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.108 8.608 1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 96 12.805 6.260 2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.005 7.032 0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.352 9.247 1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.389 8.317 3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.313 7.977 1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.670 8.824 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.554 6.589 2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.355 6.753 3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.008 5.932 2.366 1.00 0.00 H new ATOM 1229 N LEU A 97 8.219 8.319 3.154 1.00 0.00 N ATOM 1230 CA LEU A 97 7.080 9.220 3.347 1.00 0.00 C ATOM 1231 C LEU A 97 7.069 9.767 4.786 1.00 0.00 C ATOM 1232 O LEU A 97 6.979 10.980 4.983 1.00 0.00 O ATOM 1233 CB LEU A 97 5.799 8.450 2.979 1.00 0.00 C ATOM 1234 CG LEU A 97 4.487 9.057 3.479 1.00 0.00 C ATOM 1235 CD1 LEU A 97 4.210 10.460 2.953 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.337 8.117 3.126 1.00 0.00 C ATOM 0 H LEU A 97 7.944 7.366 2.917 1.00 0.00 H new ATOM 0 HA LEU A 97 7.151 10.093 2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.748 8.367 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.881 7.437 3.373 1.00 0.00 H new ATOM 0 HG LEU A 97 4.580 9.167 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.262 10.818 3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.012 11.130 3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.158 10.437 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.398 8.543 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.292 7.987 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.499 7.150 3.602 1.00 0.00 H new ATOM 1248 N ILE A 98 7.208 8.890 5.788 1.00 0.00 N ATOM 1249 CA ILE A 98 7.291 9.306 7.200 1.00 0.00 C ATOM 1250 C ILE A 98 8.580 10.093 7.459 1.00 0.00 C ATOM 1251 O ILE A 98 8.527 11.107 8.142 1.00 0.00 O ATOM 1252 CB ILE A 98 7.193 8.122 8.189 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.029 7.165 7.849 1.00 0.00 C ATOM 1254 CG2 ILE A 98 6.991 8.609 9.632 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.532 5.901 7.169 1.00 0.00 C ATOM 0 H ILE A 98 7.266 7.881 5.649 1.00 0.00 H new ATOM 0 HA ILE A 98 6.427 9.946 7.378 1.00 0.00 H new ATOM 0 HB ILE A 98 8.139 7.588 8.098 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.494 6.901 8.761 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.317 7.672 7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.926 7.750 10.300 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.834 9.235 9.926 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.070 9.188 9.695 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.688 5.249 6.943 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.045 6.165 6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.224 5.382 7.832 1.00 0.00 H new ATOM 1267 N ASN A 99 9.724 9.682 6.897 1.00 0.00 N ATOM 1268 CA ASN A 99 11.011 10.374 7.083 1.00 0.00 C ATOM 1269 C ASN A 99 10.953 11.886 6.758 1.00 0.00 C ATOM 1270 O ASN A 99 11.668 12.673 7.376 1.00 0.00 O ATOM 1271 CB ASN A 99 12.087 9.656 6.251 1.00 0.00 C ATOM 1272 CG ASN A 99 13.474 10.241 6.474 1.00 0.00 C ATOM 1273 OD1 ASN A 99 14.164 9.921 7.432 1.00 0.00 O ATOM 1274 ND2 ASN A 99 13.936 11.104 5.595 1.00 0.00 N ATOM 0 H ASN A 99 9.786 8.858 6.299 1.00 0.00 H new ATOM 0 HA ASN A 99 11.266 10.325 8.142 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.096 8.597 6.509 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.832 9.725 5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.867 11.504 5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.363 11.373 4.795 1.00 0.00 H new ATOM 1281 N ASP A 100 10.098 12.302 5.818 1.00 0.00 N ATOM 1282 CA ASP A 100 9.871 13.719 5.491 1.00 0.00 C ATOM 1283 C ASP A 100 9.140 14.477 6.623 1.00 0.00 C ATOM 1284 O ASP A 100 9.625 15.499 7.110 1.00 0.00 O ATOM 1285 CB ASP A 100 9.087 13.819 4.176 1.00 0.00 C ATOM 1286 CG ASP A 100 8.794 15.282 3.803 1.00 0.00 C ATOM 1287 OD1 ASP A 100 9.722 15.985 3.337 1.00 0.00 O ATOM 1288 OD2 ASP A 100 7.636 15.732 3.974 1.00 0.00 O ATOM 0 H ASP A 100 9.538 11.661 5.256 1.00 0.00 H new ATOM 0 HA ASP A 100 10.844 14.197 5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.656 13.345 3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.149 13.271 4.268 1.00 0.00 H new ATOM 1293 N SER A 101 7.981 13.968 7.052 1.00 0.00 N ATOM 1294 CA SER A 101 7.087 14.550 8.073 1.00 0.00 C ATOM 1295 C SER A 101 7.313 13.983 9.487 1.00 0.00 C ATOM 1296 O SER A 101 6.456 14.092 10.363 1.00 0.00 O ATOM 1297 CB SER A 101 5.615 14.439 7.629 1.00 0.00 C ATOM 1298 OG SER A 101 5.290 13.148 7.134 1.00 0.00 O ATOM 0 H SER A 101 7.616 13.091 6.680 1.00 0.00 H new ATOM 0 HA SER A 101 7.344 15.606 8.151 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.966 14.675 8.473 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.415 15.181 6.856 1.00 0.00 H new ATOM 0 HG SER A 101 4.347 13.128 6.867 1.00 0.00 H new ATOM 1304 N VAL A 102 8.477 13.395 9.764 1.00 0.00 N ATOM 1305 CA VAL A 102 8.791 12.711 11.031 1.00 0.00 C ATOM 1306 C VAL A 102 8.674 13.614 12.261 1.00 0.00 C ATOM 1307 O VAL A 102 8.094 13.218 13.271 1.00 0.00 O ATOM 1308 CB VAL A 102 10.179 12.044 10.956 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.320 13.035 10.697 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.484 11.266 12.234 1.00 0.00 C ATOM 0 H VAL A 102 9.251 13.378 9.100 1.00 0.00 H new ATOM 0 HA VAL A 102 8.033 11.939 11.161 1.00 0.00 H new ATOM 0 HB VAL A 102 10.127 11.367 10.104 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.267 12.497 10.656 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.151 13.544 9.748 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.354 13.769 11.502 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.469 10.806 12.154 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.469 11.946 13.086 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.732 10.490 12.376 1.00 0.00 H new ATOM 1320 N PHE A 103 9.170 14.850 12.168 1.00 0.00 N ATOM 1321 CA PHE A 103 9.069 15.868 13.219 1.00 0.00 C ATOM 1322 C PHE A 103 7.674 16.514 13.292 1.00 0.00 C ATOM 1323 O PHE A 103 7.407 17.318 14.189 1.00 0.00 O ATOM 1324 CB PHE A 103 10.150 16.933 12.982 1.00 0.00 C ATOM 1325 CG PHE A 103 11.556 16.380 12.811 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.086 15.474 13.752 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.327 16.749 11.691 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.374 14.940 13.573 1.00 0.00 C ATOM 1329 CE2 PHE A 103 13.617 16.218 11.514 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.140 15.312 12.454 1.00 0.00 C ATOM 0 H PHE A 103 9.665 15.180 11.340 1.00 0.00 H new ATOM 0 HA PHE A 103 9.225 15.379 14.180 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.888 17.506 12.092 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.147 17.628 13.821 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.500 15.189 14.614 1.00 0.00 H new ATOM 0 HD2 PHE A 103 11.926 17.442 10.966 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.775 14.244 14.295 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.206 16.506 10.656 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.130 14.902 12.316 1.00 0.00 H new ATOM 1340 N PHE A 104 6.785 16.165 12.356 1.00 0.00 N ATOM 1341 CA PHE A 104 5.403 16.653 12.296 1.00 0.00 C ATOM 1342 C PHE A 104 4.429 15.633 12.907 1.00 0.00 C ATOM 1343 O PHE A 104 3.577 15.996 13.723 1.00 0.00 O ATOM 1344 CB PHE A 104 5.052 17.017 10.844 1.00 0.00 C ATOM 1345 CG PHE A 104 3.569 17.056 10.561 1.00 0.00 C ATOM 1346 CD1 PHE A 104 2.829 18.223 10.820 1.00 0.00 C ATOM 1347 CD2 PHE A 104 2.923 15.892 10.102 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.437 18.219 10.634 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.535 15.890 9.908 1.00 0.00 C ATOM 1350 CZ PHE A 104 0.800 17.051 10.188 1.00 0.00 C ATOM 0 H PHE A 104 7.012 15.519 11.600 1.00 0.00 H new ATOM 0 HA PHE A 104 5.308 17.557 12.898 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.482 17.991 10.611 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.520 16.294 10.176 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.329 19.118 11.160 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.498 15.000 9.899 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.860 19.110 10.833 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.036 15.003 9.546 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.272 17.046 10.058 1.00 0.00 H new ATOM 1360 N LEU A 105 4.562 14.357 12.534 1.00 0.00 N ATOM 1361 CA LEU A 105 3.765 13.251 13.062 1.00 0.00 C ATOM 1362 C LEU A 105 3.996 13.066 14.569 1.00 0.00 C ATOM 1363 O LEU A 105 5.133 13.087 15.048 1.00 0.00 O ATOM 1364 CB LEU A 105 4.103 11.975 12.268 1.00 0.00 C ATOM 1365 CG LEU A 105 3.683 12.047 10.786 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.154 10.799 10.057 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.172 12.176 10.609 1.00 0.00 C ATOM 0 H LEU A 105 5.246 14.059 11.838 1.00 0.00 H new ATOM 0 HA LEU A 105 2.705 13.474 12.941 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.176 11.794 12.325 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.610 11.123 12.737 1.00 0.00 H new ATOM 0 HG LEU A 105 4.148 12.940 10.369 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.855 10.854 9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.240 10.728 10.121 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.705 9.918 10.516 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.933 12.223 9.547 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.678 11.312 11.055 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.825 13.085 11.099 1.00 0.00 H new ATOM 1379 N ALA A 106 2.904 12.885 15.319 1.00 0.00 N ATOM 1380 CA ALA A 106 2.950 12.589 16.751 1.00 0.00 C ATOM 1381 C ALA A 106 3.722 11.283 17.015 1.00 0.00 C ATOM 1382 O ALA A 106 3.739 10.396 16.159 1.00 0.00 O ATOM 1383 CB ALA A 106 1.505 12.488 17.266 1.00 0.00 C ATOM 0 H ALA A 106 1.957 12.941 14.944 1.00 0.00 H new ATOM 0 HA ALA A 106 3.476 13.385 17.279 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.514 12.267 18.333 1.00 0.00 H new ATOM 0 HB2 ALA A 106 0.991 13.434 17.095 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.984 11.691 16.735 1.00 0.00 H new ATOM 1389 N ALA A 107 4.281 11.108 18.218 1.00 0.00 N ATOM 1390 CA ALA A 107 4.987 9.876 18.599 1.00 0.00 C ATOM 1391 C ALA A 107 4.120 8.611 18.415 1.00 0.00 C ATOM 1392 O ALA A 107 4.640 7.543 18.097 1.00 0.00 O ATOM 1393 CB ALA A 107 5.496 10.018 20.039 1.00 0.00 C ATOM 0 H ALA A 107 4.258 11.814 18.954 1.00 0.00 H new ATOM 0 HA ALA A 107 5.836 9.743 17.929 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.021 9.109 20.331 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.177 10.867 20.102 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.652 10.180 20.709 1.00 0.00 H new ATOM 1399 N TYR A 108 2.797 8.741 18.552 1.00 0.00 N ATOM 1400 CA TYR A 108 1.814 7.686 18.313 1.00 0.00 C ATOM 1401 C TYR A 108 1.813 7.264 16.833 1.00 0.00 C ATOM 1402 O TYR A 108 2.091 6.111 16.505 1.00 0.00 O ATOM 1403 CB TYR A 108 0.440 8.204 18.768 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.736 7.326 18.391 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.927 6.084 19.029 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.645 7.757 17.405 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -2.030 5.278 18.685 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.749 6.956 17.061 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.948 5.713 17.703 1.00 0.00 C ATOM 1410 OH TYR A 108 -4.019 4.934 17.388 1.00 0.00 O ATOM 0 H TYR A 108 2.367 9.619 18.844 1.00 0.00 H new ATOM 0 HA TYR A 108 2.067 6.793 18.885 1.00 0.00 H new ATOM 0 HB2 TYR A 108 0.454 8.320 19.852 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.284 9.196 18.343 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.228 5.750 19.781 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.494 8.706 16.911 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.174 4.325 19.173 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.445 7.291 16.306 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.553 5.377 16.696 1.00 0.00 H new ATOM 1420 N ASP A 109 1.529 8.205 15.931 1.00 0.00 N ATOM 1421 CA ASP A 109 1.393 7.966 14.489 1.00 0.00 C ATOM 1422 C ASP A 109 2.726 7.624 13.810 1.00 0.00 C ATOM 1423 O ASP A 109 2.781 6.772 12.925 1.00 0.00 O ATOM 1424 CB ASP A 109 0.781 9.203 13.825 1.00 0.00 C ATOM 1425 CG ASP A 109 -0.411 8.837 12.921 1.00 0.00 C ATOM 1426 OD1 ASP A 109 -0.277 7.933 12.063 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -1.497 9.440 13.090 1.00 0.00 O ATOM 0 H ASP A 109 1.383 9.181 16.188 1.00 0.00 H new ATOM 0 HA ASP A 109 0.742 7.100 14.366 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.453 9.903 14.593 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.542 9.712 13.234 1.00 0.00 H new ATOM 1432 N LEU A 110 3.813 8.266 14.247 1.00 0.00 N ATOM 1433 CA LEU A 110 5.174 7.996 13.795 1.00 0.00 C ATOM 1434 C LEU A 110 5.528 6.526 14.056 1.00 0.00 C ATOM 1435 O LEU A 110 5.877 5.793 13.128 1.00 0.00 O ATOM 1436 CB LEU A 110 6.133 8.969 14.508 1.00 0.00 C ATOM 1437 CG LEU A 110 7.633 8.667 14.340 1.00 0.00 C ATOM 1438 CD1 LEU A 110 8.039 8.535 12.876 1.00 0.00 C ATOM 1439 CD2 LEU A 110 8.447 9.790 14.975 1.00 0.00 C ATOM 0 H LEU A 110 3.765 9.008 14.945 1.00 0.00 H new ATOM 0 HA LEU A 110 5.265 8.157 12.721 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.940 9.976 14.139 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.898 8.968 15.572 1.00 0.00 H new ATOM 0 HG LEU A 110 7.830 7.713 14.830 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.106 8.322 12.812 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.479 7.722 12.415 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.823 9.467 12.353 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.510 9.580 14.858 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.208 10.734 14.486 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.205 9.860 16.036 1.00 0.00 H new ATOM 1451 N ARG A 111 5.400 6.080 15.315 1.00 0.00 N ATOM 1452 CA ARG A 111 5.682 4.688 15.697 1.00 0.00 C ATOM 1453 C ARG A 111 4.768 3.689 14.996 1.00 0.00 C ATOM 1454 O ARG A 111 5.233 2.624 14.592 1.00 0.00 O ATOM 1455 CB ARG A 111 5.652 4.522 17.227 1.00 0.00 C ATOM 1456 CG ARG A 111 6.809 5.263 17.925 1.00 0.00 C ATOM 1457 CD ARG A 111 6.652 5.191 19.449 1.00 0.00 C ATOM 1458 NE ARG A 111 7.690 5.976 20.151 1.00 0.00 N ATOM 1459 CZ ARG A 111 7.781 6.180 21.454 1.00 0.00 C ATOM 1460 NH1 ARG A 111 6.923 5.674 22.295 1.00 0.00 N ATOM 1461 NH2 ARG A 111 8.745 6.904 21.948 1.00 0.00 N ATOM 0 H ARG A 111 5.100 6.669 16.092 1.00 0.00 H new ATOM 0 HA ARG A 111 6.692 4.460 15.355 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.702 4.895 17.611 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.702 3.462 17.475 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.761 4.822 17.630 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.827 6.305 17.604 1.00 0.00 H new ATOM 0 HD2 ARG A 111 5.666 5.561 19.730 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.705 4.151 19.770 1.00 0.00 H new ATOM 0 HE ARG A 111 8.410 6.404 19.570 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.152 5.101 21.954 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.023 5.852 23.294 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.440 7.320 21.328 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.805 7.055 22.955 1.00 0.00 H new ATOM 1475 N GLN A 112 3.514 4.076 14.775 1.00 0.00 N ATOM 1476 CA GLN A 112 2.521 3.297 14.023 1.00 0.00 C ATOM 1477 C GLN A 112 2.954 3.104 12.563 1.00 0.00 C ATOM 1478 O GLN A 112 3.105 1.967 12.125 1.00 0.00 O ATOM 1479 CB GLN A 112 1.126 3.943 14.107 1.00 0.00 C ATOM 1480 CG GLN A 112 0.337 3.539 15.365 1.00 0.00 C ATOM 1481 CD GLN A 112 -0.223 2.113 15.320 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -0.404 1.496 14.277 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -0.558 1.535 16.455 1.00 0.00 N ATOM 0 H GLN A 112 3.146 4.962 15.121 1.00 0.00 H new ATOM 0 HA GLN A 112 2.459 2.311 14.483 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.235 5.027 14.089 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.552 3.665 13.223 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.986 3.636 16.235 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.488 4.238 15.504 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.418 2.026 17.338 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -0.957 0.596 16.451 1.00 0.00 H new ATOM 1492 N GLY A 113 3.188 4.179 11.801 1.00 0.00 N ATOM 1493 CA GLY A 113 3.578 4.101 10.392 1.00 0.00 C ATOM 1494 C GLY A 113 4.916 3.390 10.166 1.00 0.00 C ATOM 1495 O GLY A 113 5.075 2.670 9.185 1.00 0.00 O ATOM 0 H GLY A 113 3.111 5.134 12.150 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.800 3.578 9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.638 5.110 9.984 1.00 0.00 H new ATOM 1499 N GLN A 114 5.873 3.550 11.080 1.00 0.00 N ATOM 1500 CA GLN A 114 7.155 2.841 11.034 1.00 0.00 C ATOM 1501 C GLN A 114 6.982 1.324 11.220 1.00 0.00 C ATOM 1502 O GLN A 114 7.413 0.547 10.364 1.00 0.00 O ATOM 1503 CB GLN A 114 8.096 3.438 12.093 1.00 0.00 C ATOM 1504 CG GLN A 114 8.627 4.829 11.698 1.00 0.00 C ATOM 1505 CD GLN A 114 9.861 4.757 10.801 1.00 0.00 C ATOM 1506 OE1 GLN A 114 9.863 4.175 9.724 1.00 0.00 O ATOM 1507 NE2 GLN A 114 10.963 5.348 11.210 1.00 0.00 N ATOM 0 H GLN A 114 5.782 4.178 11.878 1.00 0.00 H new ATOM 0 HA GLN A 114 7.595 2.975 10.046 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.567 3.512 13.043 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.937 2.763 12.248 1.00 0.00 H new ATOM 0 HG2 GLN A 114 7.840 5.381 11.183 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.871 5.390 12.600 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.977 5.837 12.105 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.803 5.317 10.632 1.00 0.00 H new ATOM 1516 N GLU A 115 6.350 0.876 12.313 1.00 0.00 N ATOM 1517 CA GLU A 115 6.164 -0.558 12.594 1.00 0.00 C ATOM 1518 C GLU A 115 5.182 -1.261 11.642 1.00 0.00 C ATOM 1519 O GLU A 115 5.304 -2.455 11.363 1.00 0.00 O ATOM 1520 CB GLU A 115 5.790 -0.763 14.069 1.00 0.00 C ATOM 1521 CG GLU A 115 4.322 -0.478 14.416 1.00 0.00 C ATOM 1522 CD GLU A 115 4.064 -0.371 15.935 1.00 0.00 C ATOM 1523 OE1 GLU A 115 4.812 -0.971 16.748 1.00 0.00 O ATOM 1524 OE2 GLU A 115 3.074 0.290 16.334 1.00 0.00 O ATOM 0 H GLU A 115 5.955 1.491 13.024 1.00 0.00 H new ATOM 0 HA GLU A 115 7.121 -1.043 12.403 1.00 0.00 H new ATOM 0 HB2 GLU A 115 6.019 -1.792 14.346 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.423 -0.120 14.681 1.00 0.00 H new ATOM 0 HG2 GLU A 115 4.016 0.452 13.936 1.00 0.00 H new ATOM 0 HG3 GLU A 115 3.698 -1.270 14.003 1.00 0.00 H new ATOM 1531 N ALA A 116 4.244 -0.498 11.088 1.00 0.00 N ATOM 1532 CA ALA A 116 3.278 -0.929 10.082 1.00 0.00 C ATOM 1533 C ALA A 116 3.937 -1.522 8.829 1.00 0.00 C ATOM 1534 O ALA A 116 3.465 -2.544 8.332 1.00 0.00 O ATOM 1535 CB ALA A 116 2.394 0.263 9.713 1.00 0.00 C ATOM 0 H ALA A 116 4.131 0.484 11.340 1.00 0.00 H new ATOM 0 HA ALA A 116 2.679 -1.732 10.512 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.666 -0.043 8.962 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.871 0.617 10.602 1.00 0.00 H new ATOM 0 HB3 ALA A 116 3.014 1.065 9.313 1.00 0.00 H new ATOM 1541 N LEU A 117 5.023 -0.923 8.327 1.00 0.00 N ATOM 1542 CA LEU A 117 5.776 -1.483 7.199 1.00 0.00 C ATOM 1543 C LEU A 117 6.397 -2.845 7.537 1.00 0.00 C ATOM 1544 O LEU A 117 6.289 -3.787 6.751 1.00 0.00 O ATOM 1545 CB LEU A 117 6.865 -0.495 6.728 1.00 0.00 C ATOM 1546 CG LEU A 117 6.433 0.463 5.604 1.00 0.00 C ATOM 1547 CD1 LEU A 117 5.790 -0.286 4.435 1.00 0.00 C ATOM 1548 CD2 LEU A 117 5.524 1.582 6.103 1.00 0.00 C ATOM 0 H LEU A 117 5.401 -0.046 8.686 1.00 0.00 H new ATOM 0 HA LEU A 117 5.067 -1.642 6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.192 0.097 7.583 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.729 -1.066 6.386 1.00 0.00 H new ATOM 0 HG LEU A 117 7.346 0.933 5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.499 0.426 3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.505 -0.998 4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.908 -0.821 4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.250 2.228 5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.623 1.151 6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.049 2.168 6.858 1.00 0.00 H new ATOM 1560 N ALA A 118 6.995 -2.970 8.726 1.00 0.00 N ATOM 1561 CA ALA A 118 7.576 -4.228 9.204 1.00 0.00 C ATOM 1562 C ALA A 118 6.541 -5.362 9.278 1.00 0.00 C ATOM 1563 O ALA A 118 6.870 -6.527 9.035 1.00 0.00 O ATOM 1564 CB ALA A 118 8.191 -4.004 10.586 1.00 0.00 C ATOM 0 H ALA A 118 7.090 -2.198 9.386 1.00 0.00 H new ATOM 0 HA ALA A 118 8.339 -4.533 8.488 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.625 -4.937 10.947 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.969 -3.244 10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.418 -3.672 11.279 1.00 0.00 H new ATOM 1570 N ARG A 119 5.275 -5.021 9.567 1.00 0.00 N ATOM 1571 CA ARG A 119 4.160 -5.973 9.603 1.00 0.00 C ATOM 1572 C ARG A 119 3.971 -6.693 8.256 1.00 0.00 C ATOM 1573 O ARG A 119 3.704 -7.894 8.220 1.00 0.00 O ATOM 1574 CB ARG A 119 2.874 -5.235 10.029 1.00 0.00 C ATOM 1575 CG ARG A 119 1.843 -6.165 10.685 1.00 0.00 C ATOM 1576 CD ARG A 119 0.490 -5.456 10.842 1.00 0.00 C ATOM 1577 NE ARG A 119 -0.525 -6.354 11.429 1.00 0.00 N ATOM 1578 CZ ARG A 119 -1.830 -6.150 11.509 1.00 0.00 C ATOM 1579 NH1 ARG A 119 -2.390 -5.051 11.087 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -2.610 -7.058 12.019 1.00 0.00 N ATOM 0 H ARG A 119 4.997 -4.064 9.784 1.00 0.00 H new ATOM 0 HA ARG A 119 4.390 -6.747 10.335 1.00 0.00 H new ATOM 0 HB2 ARG A 119 3.132 -4.438 10.726 1.00 0.00 H new ATOM 0 HB3 ARG A 119 2.426 -4.762 9.155 1.00 0.00 H new ATOM 0 HG2 ARG A 119 1.720 -7.063 10.080 1.00 0.00 H new ATOM 0 HG3 ARG A 119 2.206 -6.486 11.661 1.00 0.00 H new ATOM 0 HD2 ARG A 119 0.610 -4.577 11.475 1.00 0.00 H new ATOM 0 HD3 ARG A 119 0.147 -5.104 9.869 1.00 0.00 H new ATOM 0 HE ARG A 119 -0.181 -7.232 11.817 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -1.818 -4.312 10.678 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -3.400 -4.930 11.166 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -2.217 -7.935 12.361 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -3.615 -6.893 12.077 1.00 0.00 H new ATOM 1594 N LEU A 120 4.148 -5.965 7.146 1.00 0.00 N ATOM 1595 CA LEU A 120 4.060 -6.472 5.767 1.00 0.00 C ATOM 1596 C LEU A 120 5.275 -7.335 5.383 1.00 0.00 C ATOM 1597 O LEU A 120 5.122 -8.320 4.661 1.00 0.00 O ATOM 1598 CB LEU A 120 3.904 -5.311 4.757 1.00 0.00 C ATOM 1599 CG LEU A 120 2.989 -4.147 5.182 1.00 0.00 C ATOM 1600 CD1 LEU A 120 2.995 -3.051 4.116 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.537 -4.557 5.457 1.00 0.00 C ATOM 0 H LEU A 120 4.365 -4.969 7.183 1.00 0.00 H new ATOM 0 HA LEU A 120 3.173 -7.105 5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.894 -4.907 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.522 -5.721 3.822 1.00 0.00 H new ATOM 0 HG LEU A 120 3.402 -3.784 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.344 -2.235 4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.010 -2.676 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.635 -3.460 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.961 -3.680 5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.104 -4.991 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.513 -5.292 6.261 1.00 0.00 H new ATOM 1613 N GLN A 121 6.469 -7.014 5.896 1.00 0.00 N ATOM 1614 CA GLN A 121 7.702 -7.794 5.702 1.00 0.00 C ATOM 1615 C GLN A 121 7.530 -9.259 6.126 1.00 0.00 C ATOM 1616 O GLN A 121 7.948 -10.169 5.408 1.00 0.00 O ATOM 1617 CB GLN A 121 8.875 -7.130 6.460 1.00 0.00 C ATOM 1618 CG GLN A 121 10.038 -6.744 5.530 1.00 0.00 C ATOM 1619 CD GLN A 121 9.676 -5.673 4.536 1.00 0.00 C ATOM 1620 OE1 GLN A 121 8.619 -5.076 4.611 1.00 0.00 O ATOM 1621 NE2 GLN A 121 10.542 -5.400 3.581 1.00 0.00 N ATOM 0 H GLN A 121 6.610 -6.184 6.472 1.00 0.00 H new ATOM 0 HA GLN A 121 7.929 -7.800 4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.513 -6.239 6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.240 -7.813 7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 121 10.878 -6.401 6.134 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.373 -7.631 4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 121 11.424 -5.910 3.532 1.00 0.00 H new ATOM 0 HE22 GLN A 121 10.330 -4.679 2.891 1.00 0.00 H new ATOM 1630 N ALA A 122 6.875 -9.492 7.267 1.00 0.00 N ATOM 1631 CA ALA A 122 6.540 -10.830 7.747 1.00 0.00 C ATOM 1632 C ALA A 122 5.580 -11.562 6.786 1.00 0.00 C ATOM 1633 O ALA A 122 5.868 -12.689 6.380 1.00 0.00 O ATOM 1634 CB ALA A 122 5.967 -10.705 9.165 1.00 0.00 C ATOM 0 H ALA A 122 6.560 -8.747 7.888 1.00 0.00 H new ATOM 0 HA ALA A 122 7.440 -11.444 7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.710 -11.695 9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.710 -10.249 9.819 1.00 0.00 H new ATOM 0 HB3 ALA A 122 5.073 -10.082 9.143 1.00 0.00 H new ATOM 1640 N ALA A 123 4.490 -10.912 6.355 1.00 0.00 N ATOM 1641 CA ALA A 123 3.562 -11.463 5.360 1.00 0.00 C ATOM 1642 C ALA A 123 4.267 -11.845 4.041 1.00 0.00 C ATOM 1643 O ALA A 123 3.939 -12.869 3.435 1.00 0.00 O ATOM 1644 CB ALA A 123 2.416 -10.471 5.130 1.00 0.00 C ATOM 0 H ALA A 123 4.227 -9.985 6.689 1.00 0.00 H new ATOM 0 HA ALA A 123 3.152 -12.394 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.725 -10.878 4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.887 -10.303 6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.820 -9.526 4.767 1.00 0.00 H new ATOM 1650 N LEU A 124 5.257 -11.054 3.607 1.00 0.00 N ATOM 1651 CA LEU A 124 6.084 -11.346 2.433 1.00 0.00 C ATOM 1652 C LEU A 124 6.931 -12.607 2.678 1.00 0.00 C ATOM 1653 O LEU A 124 6.882 -13.545 1.883 1.00 0.00 O ATOM 1654 CB LEU A 124 6.964 -10.121 2.101 1.00 0.00 C ATOM 1655 CG LEU A 124 7.495 -10.114 0.654 1.00 0.00 C ATOM 1656 CD1 LEU A 124 6.379 -9.768 -0.327 1.00 0.00 C ATOM 1657 CD2 LEU A 124 8.597 -9.070 0.494 1.00 0.00 C ATOM 0 H LEU A 124 5.508 -10.180 4.070 1.00 0.00 H new ATOM 0 HA LEU A 124 5.443 -11.545 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.386 -9.213 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.809 -10.095 2.789 1.00 0.00 H new ATOM 0 HG LEU A 124 7.884 -11.110 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 124 6.774 -9.768 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 124 5.582 -10.508 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 124 5.982 -8.780 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 124 8.960 -9.079 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 124 8.200 -8.083 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 124 9.419 -9.302 1.171 1.00 0.00 H new ATOM 1669 N ALA A 125 7.676 -12.649 3.792 1.00 0.00 N ATOM 1670 CA ALA A 125 8.565 -13.751 4.168 1.00 0.00 C ATOM 1671 C ALA A 125 7.842 -15.108 4.314 1.00 0.00 C ATOM 1672 O ALA A 125 8.388 -16.144 3.931 1.00 0.00 O ATOM 1673 CB ALA A 125 9.303 -13.365 5.455 1.00 0.00 C ATOM 0 H ALA A 125 7.674 -11.892 4.476 1.00 0.00 H new ATOM 0 HA ALA A 125 9.276 -13.901 3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.970 -14.176 5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 125 9.886 -12.460 5.283 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.579 -13.185 6.249 1.00 0.00 H new ATOM 1679 N GLU A 126 6.600 -15.104 4.808 1.00 0.00 N ATOM 1680 CA GLU A 126 5.731 -16.287 4.918 1.00 0.00 C ATOM 1681 C GLU A 126 5.549 -17.011 3.572 1.00 0.00 C ATOM 1682 O GLU A 126 5.712 -18.232 3.503 1.00 0.00 O ATOM 1683 CB GLU A 126 4.361 -15.875 5.485 1.00 0.00 C ATOM 1684 CG GLU A 126 4.393 -15.604 6.996 1.00 0.00 C ATOM 1685 CD GLU A 126 3.158 -14.812 7.480 1.00 0.00 C ATOM 1686 OE1 GLU A 126 2.025 -15.073 7.003 1.00 0.00 O ATOM 1687 OE2 GLU A 126 3.302 -13.945 8.376 1.00 0.00 O ATOM 0 H GLU A 126 6.155 -14.254 5.154 1.00 0.00 H new ATOM 0 HA GLU A 126 6.219 -16.988 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.015 -14.980 4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 126 3.637 -16.663 5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.445 -16.552 7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.297 -15.048 7.243 1.00 0.00 H new ATOM 1694 N ARG A 127 5.244 -16.271 2.493 1.00 0.00 N ATOM 1695 CA ARG A 127 5.106 -16.834 1.132 1.00 0.00 C ATOM 1696 C ARG A 127 6.456 -17.020 0.436 1.00 0.00 C ATOM 1697 O ARG A 127 6.640 -17.977 -0.320 1.00 0.00 O ATOM 1698 CB ARG A 127 4.169 -15.980 0.260 1.00 0.00 C ATOM 1699 CG ARG A 127 2.859 -15.577 0.969 1.00 0.00 C ATOM 1700 CD ARG A 127 1.628 -15.607 0.056 1.00 0.00 C ATOM 1701 NE ARG A 127 1.828 -14.883 -1.215 1.00 0.00 N ATOM 1702 CZ ARG A 127 1.187 -15.106 -2.345 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.182 -15.929 -2.428 1.00 0.00 N ATOM 1704 NH2 ARG A 127 1.552 -14.506 -3.435 1.00 0.00 N ATOM 0 H ARG A 127 5.085 -15.264 2.536 1.00 0.00 H new ATOM 0 HA ARG A 127 4.661 -17.822 1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.697 -15.078 -0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 127 3.926 -16.534 -0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 127 2.691 -16.248 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 127 2.972 -14.573 1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 127 1.370 -16.644 -0.161 1.00 0.00 H new ATOM 0 HD3 ARG A 127 0.781 -15.171 0.585 1.00 0.00 H new ATOM 0 HE ARG A 127 2.528 -14.141 -1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -0.137 -16.430 -1.599 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -0.287 -16.073 -3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 127 2.339 -13.857 -3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 127 1.052 -14.683 -4.306 1.00 0.00 H new ATOM 1718 N ARG A 128 7.433 -16.151 0.737 1.00 0.00 N ATOM 1719 CA ARG A 128 8.816 -16.217 0.228 1.00 0.00 C ATOM 1720 C ARG A 128 9.455 -17.586 0.477 1.00 0.00 C ATOM 1721 O ARG A 128 10.194 -18.064 -0.377 1.00 0.00 O ATOM 1722 CB ARG A 128 9.671 -15.103 0.857 1.00 0.00 C ATOM 1723 CG ARG A 128 11.008 -14.920 0.131 1.00 0.00 C ATOM 1724 CD ARG A 128 11.901 -13.903 0.843 1.00 0.00 C ATOM 1725 NE ARG A 128 13.222 -13.812 0.190 1.00 0.00 N ATOM 1726 CZ ARG A 128 14.172 -12.928 0.437 1.00 0.00 C ATOM 1727 NH1 ARG A 128 14.045 -12.020 1.362 1.00 0.00 N ATOM 1728 NH2 ARG A 128 15.283 -12.939 -0.242 1.00 0.00 N ATOM 0 H ARG A 128 7.280 -15.358 1.360 1.00 0.00 H new ATOM 0 HA ARG A 128 8.774 -16.069 -0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.116 -14.165 0.835 1.00 0.00 H new ATOM 0 HB3 ARG A 128 9.858 -15.338 1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 128 11.524 -15.878 0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 128 10.825 -14.591 -0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 128 11.420 -12.925 0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.026 -14.191 1.887 1.00 0.00 H new ATOM 0 HE ARG A 128 13.423 -14.507 -0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.193 -11.977 1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.798 -11.352 1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 128 15.427 -13.635 -0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 128 16.009 -12.251 -0.042 1.00 0.00 H new