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= -0.0157 X(o=-0.016,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=-0.072) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) 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= -3.04! C(o=-3!,f=-5.4!) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -3.130 18.040 9.150 1.00 0.00 N ATOM 575 CA ASN A 56 -2.315 17.352 8.147 1.00 0.00 C ATOM 576 C ASN A 56 -1.927 15.917 8.572 1.00 0.00 C ATOM 577 O ASN A 56 -1.608 15.095 7.714 1.00 0.00 O ATOM 578 CB ASN A 56 -1.092 18.223 7.790 1.00 0.00 C ATOM 579 CG ASN A 56 -1.440 19.359 6.842 1.00 0.00 C ATOM 580 OD1 ASN A 56 -1.196 19.295 5.644 1.00 0.00 O ATOM 581 ND2 ASN A 56 -2.022 20.432 7.330 1.00 0.00 N ATOM 0 HA ASN A 56 -2.916 17.221 7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.665 18.636 8.704 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.325 17.597 7.334 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.268 21.205 6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.228 20.492 8.327 1.00 0.00 H new ATOM 588 N SER A 57 -2.007 15.565 9.864 1.00 0.00 N ATOM 589 CA SER A 57 -1.763 14.194 10.340 1.00 0.00 C ATOM 590 C SER A 57 -2.820 13.222 9.789 1.00 0.00 C ATOM 591 O SER A 57 -2.513 12.061 9.525 1.00 0.00 O ATOM 592 CB SER A 57 -1.729 14.139 11.870 1.00 0.00 C ATOM 593 OG SER A 57 -0.682 14.960 12.365 1.00 0.00 O ATOM 0 H SER A 57 -2.242 16.222 10.608 1.00 0.00 H new ATOM 0 HA SER A 57 -0.787 13.884 9.967 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.685 14.472 12.275 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.583 13.111 12.201 1.00 0.00 H new ATOM 0 HG SER A 57 -0.670 14.919 13.344 1.00 0.00 H new ATOM 599 N HIS A 58 -4.059 13.683 9.545 1.00 0.00 N ATOM 600 CA HIS A 58 -5.108 12.859 8.917 1.00 0.00 C ATOM 601 C HIS A 58 -4.751 12.534 7.458 1.00 0.00 C ATOM 602 O HIS A 58 -4.964 11.405 7.010 1.00 0.00 O ATOM 603 CB HIS A 58 -6.482 13.555 8.991 1.00 0.00 C ATOM 604 CG HIS A 58 -7.148 13.489 10.345 1.00 0.00 C ATOM 605 ND1 HIS A 58 -7.655 14.559 11.063 1.00 0.00 N ATOM 606 CD2 HIS A 58 -7.462 12.338 11.016 1.00 0.00 C ATOM 607 CE1 HIS A 58 -8.263 14.061 12.160 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.153 12.714 12.156 1.00 0.00 N ATOM 0 H HIS A 58 -4.361 14.630 9.775 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.170 11.924 9.474 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.360 14.601 8.711 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -7.144 13.103 8.253 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.218 11.330 10.714 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -8.759 14.646 12.920 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -8.516 12.083 12.870 1.00 0.00 H new ATOM 617 N PHE A 59 -4.158 13.491 6.730 1.00 0.00 N ATOM 618 CA PHE A 59 -3.667 13.285 5.362 1.00 0.00 C ATOM 619 C PHE A 59 -2.614 12.173 5.299 1.00 0.00 C ATOM 620 O PHE A 59 -2.700 11.310 4.428 1.00 0.00 O ATOM 621 CB PHE A 59 -3.114 14.588 4.764 1.00 0.00 C ATOM 622 CG PHE A 59 -2.868 14.490 3.268 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.682 13.910 2.772 1.00 0.00 C ATOM 624 CD2 PHE A 59 -3.850 14.941 2.365 1.00 0.00 C ATOM 625 CE1 PHE A 59 -1.491 13.763 1.387 1.00 0.00 C ATOM 626 CE2 PHE A 59 -3.652 14.806 0.979 1.00 0.00 C ATOM 627 CZ PHE A 59 -2.476 14.212 0.489 1.00 0.00 C ATOM 0 H PHE A 59 -4.005 14.437 7.078 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.520 12.970 4.761 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.815 15.399 4.960 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.181 14.845 5.265 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.918 13.578 3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.758 15.392 2.738 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.587 13.305 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.405 15.159 0.290 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.329 14.101 -0.575 1.00 0.00 H new ATOM 637 N PHE A 60 -1.656 12.152 6.235 1.00 0.00 N ATOM 638 CA PHE A 60 -0.652 11.088 6.340 1.00 0.00 C ATOM 639 C PHE A 60 -1.292 9.697 6.414 1.00 0.00 C ATOM 640 O PHE A 60 -0.961 8.838 5.600 1.00 0.00 O ATOM 641 CB PHE A 60 0.249 11.313 7.558 1.00 0.00 C ATOM 642 CG PHE A 60 1.119 10.110 7.886 1.00 0.00 C ATOM 643 CD1 PHE A 60 2.006 9.604 6.920 1.00 0.00 C ATOM 644 CD2 PHE A 60 0.964 9.431 9.112 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.707 8.415 7.169 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.688 8.251 9.368 1.00 0.00 C ATOM 647 CZ PHE A 60 2.553 7.739 8.388 1.00 0.00 C ATOM 0 H PHE A 60 -1.556 12.878 6.945 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.048 11.129 5.433 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.888 12.177 7.375 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.371 11.552 8.422 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.147 10.130 5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.286 9.818 9.859 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.371 8.017 6.416 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.578 7.742 10.314 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.099 6.826 8.573 1.00 0.00 H new ATOM 657 N VAL A 61 -2.226 9.475 7.348 1.00 0.00 N ATOM 658 CA VAL A 61 -2.930 8.187 7.481 1.00 0.00 C ATOM 659 C VAL A 61 -3.613 7.791 6.166 1.00 0.00 C ATOM 660 O VAL A 61 -3.523 6.636 5.761 1.00 0.00 O ATOM 661 CB VAL A 61 -3.934 8.198 8.653 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.616 6.834 8.830 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.238 8.531 9.980 1.00 0.00 C ATOM 0 H VAL A 61 -2.516 10.176 8.030 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.179 7.431 7.710 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.674 8.959 8.406 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.315 6.882 9.665 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.156 6.576 7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.862 6.074 9.032 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.972 8.531 10.786 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.472 7.784 10.187 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.775 9.515 9.911 1.00 0.00 H new ATOM 673 N ALA A 62 -4.227 8.745 5.458 1.00 0.00 N ATOM 674 CA ALA A 62 -4.829 8.522 4.137 1.00 0.00 C ATOM 675 C ALA A 62 -3.803 8.103 3.059 1.00 0.00 C ATOM 676 O ALA A 62 -3.969 7.055 2.429 1.00 0.00 O ATOM 677 CB ALA A 62 -5.634 9.763 3.722 1.00 0.00 C ATOM 0 H ALA A 62 -4.322 9.705 5.789 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.507 7.673 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.080 9.596 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.422 9.947 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.972 10.628 3.677 1.00 0.00 H new ATOM 683 N THR A 63 -2.747 8.891 2.829 1.00 0.00 N ATOM 684 CA THR A 63 -1.710 8.569 1.827 1.00 0.00 C ATOM 685 C THR A 63 -0.963 7.266 2.161 1.00 0.00 C ATOM 686 O THR A 63 -0.753 6.429 1.279 1.00 0.00 O ATOM 687 CB THR A 63 -0.763 9.762 1.579 1.00 0.00 C ATOM 688 OG1 THR A 63 0.106 9.500 0.497 1.00 0.00 O ATOM 689 CG2 THR A 63 0.108 10.170 2.754 1.00 0.00 C ATOM 0 H THR A 63 -2.582 9.766 3.326 1.00 0.00 H new ATOM 0 HA THR A 63 -2.221 8.384 0.882 1.00 0.00 H new ATOM 0 HB THR A 63 -1.449 10.585 1.378 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.696 10.270 0.357 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.732 11.017 2.468 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.525 10.454 3.595 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.743 9.333 3.044 1.00 0.00 H new ATOM 697 N PHE A 64 -0.651 7.026 3.441 1.00 0.00 N ATOM 698 CA PHE A 64 -0.037 5.789 3.924 1.00 0.00 C ATOM 699 C PHE A 64 -0.966 4.580 3.690 1.00 0.00 C ATOM 700 O PHE A 64 -0.517 3.556 3.179 1.00 0.00 O ATOM 701 CB PHE A 64 0.369 5.947 5.404 1.00 0.00 C ATOM 702 CG PHE A 64 1.237 4.812 5.916 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.634 3.592 6.266 1.00 0.00 C ATOM 704 CD2 PHE A 64 2.640 4.936 5.980 1.00 0.00 C ATOM 705 CE1 PHE A 64 1.423 2.477 6.593 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.425 3.812 6.301 1.00 0.00 C ATOM 707 CZ PHE A 64 2.822 2.582 6.598 1.00 0.00 C ATOM 0 H PHE A 64 -0.824 7.703 4.184 1.00 0.00 H new ATOM 0 HA PHE A 64 0.870 5.593 3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.905 6.888 5.527 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.531 6.010 6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.443 3.511 6.284 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.110 5.888 5.784 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.952 1.537 6.841 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.501 3.898 6.319 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.431 1.720 6.829 1.00 0.00 H new ATOM 717 N ALA A 65 -2.265 4.696 4.000 1.00 0.00 N ATOM 718 CA ALA A 65 -3.274 3.662 3.743 1.00 0.00 C ATOM 719 C ALA A 65 -3.388 3.283 2.254 1.00 0.00 C ATOM 720 O ALA A 65 -3.388 2.098 1.912 1.00 0.00 O ATOM 721 CB ALA A 65 -4.629 4.109 4.299 1.00 0.00 C ATOM 0 H ALA A 65 -2.650 5.529 4.445 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.948 2.759 4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.374 3.337 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.546 4.271 5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.933 5.037 3.814 1.00 0.00 H new ATOM 727 N ARG A 66 -3.465 4.273 1.355 1.00 0.00 N ATOM 728 CA ARG A 66 -3.543 4.051 -0.101 1.00 0.00 C ATOM 729 C ARG A 66 -2.318 3.314 -0.650 1.00 0.00 C ATOM 730 O ARG A 66 -2.465 2.430 -1.494 1.00 0.00 O ATOM 731 CB ARG A 66 -3.780 5.387 -0.822 1.00 0.00 C ATOM 732 CG ARG A 66 -5.232 5.853 -0.611 1.00 0.00 C ATOM 733 CD ARG A 66 -5.476 7.283 -1.105 1.00 0.00 C ATOM 734 NE ARG A 66 -5.372 7.402 -2.574 1.00 0.00 N ATOM 735 CZ ARG A 66 -5.614 8.484 -3.294 1.00 0.00 C ATOM 736 NH1 ARG A 66 -5.968 9.612 -2.746 1.00 0.00 N ATOM 737 NH2 ARG A 66 -5.507 8.455 -4.592 1.00 0.00 N ATOM 0 H ARG A 66 -3.475 5.259 1.616 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.392 3.396 -0.295 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.090 6.141 -0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.577 5.275 -1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.906 5.174 -1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.477 5.793 0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.466 7.609 -0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.754 7.953 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.085 6.566 -3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.066 9.678 -1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.147 10.429 -3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.234 7.592 -5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.696 9.295 -5.138 1.00 0.00 H new ATOM 751 N GLU A 67 -1.124 3.633 -0.154 1.00 0.00 N ATOM 752 CA GLU A 67 0.109 2.931 -0.515 1.00 0.00 C ATOM 753 C GLU A 67 0.152 1.517 0.088 1.00 0.00 C ATOM 754 O GLU A 67 0.253 0.549 -0.670 1.00 0.00 O ATOM 755 CB GLU A 67 1.324 3.761 -0.084 1.00 0.00 C ATOM 756 CG GLU A 67 1.666 4.919 -1.035 1.00 0.00 C ATOM 757 CD GLU A 67 2.005 4.484 -2.481 1.00 0.00 C ATOM 758 OE1 GLU A 67 2.518 3.360 -2.707 1.00 0.00 O ATOM 759 OE2 GLU A 67 1.766 5.285 -3.416 1.00 0.00 O ATOM 0 H GLU A 67 -0.983 4.391 0.514 1.00 0.00 H new ATOM 0 HA GLU A 67 0.135 2.812 -1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.139 4.166 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.190 3.103 -0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.823 5.609 -1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.514 5.469 -0.627 1.00 0.00 H new ATOM 766 N ARG A 68 0.036 1.363 1.423 1.00 0.00 N ATOM 767 CA ARG A 68 0.147 0.058 2.113 1.00 0.00 C ATOM 768 C ARG A 68 -0.806 -0.981 1.533 1.00 0.00 C ATOM 769 O ARG A 68 -0.410 -2.127 1.372 1.00 0.00 O ATOM 770 CB ARG A 68 0.002 0.190 3.650 1.00 0.00 C ATOM 771 CG ARG A 68 -1.455 0.315 4.125 1.00 0.00 C ATOM 772 CD ARG A 68 -1.655 0.601 5.615 1.00 0.00 C ATOM 773 NE ARG A 68 -1.287 -0.545 6.470 1.00 0.00 N ATOM 774 CZ ARG A 68 -1.584 -0.702 7.749 1.00 0.00 C ATOM 775 NH1 ARG A 68 -2.231 0.200 8.430 1.00 0.00 N ATOM 776 NH2 ARG A 68 -1.215 -1.779 8.379 1.00 0.00 N ATOM 0 H ARG A 68 -0.138 2.143 2.057 1.00 0.00 H new ATOM 0 HA ARG A 68 1.158 -0.305 1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.456 -0.680 4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.560 1.064 3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.934 1.111 3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.976 -0.610 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.057 1.467 5.898 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.698 0.862 5.794 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.749 -1.291 6.029 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.528 1.065 7.978 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.441 0.042 9.415 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.695 -2.505 7.886 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.446 -1.897 9.366 1.00 0.00 H new ATOM 790 N ALA A 69 -2.026 -0.577 1.178 1.00 0.00 N ATOM 791 CA ALA A 69 -3.051 -1.446 0.602 1.00 0.00 C ATOM 792 C ALA A 69 -2.609 -2.075 -0.732 1.00 0.00 C ATOM 793 O ALA A 69 -2.723 -3.290 -0.911 1.00 0.00 O ATOM 794 CB ALA A 69 -4.339 -0.630 0.441 1.00 0.00 C ATOM 0 H ALA A 69 -2.336 0.389 1.286 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.224 -2.285 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.118 -1.260 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.663 -0.265 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.153 0.217 -0.220 1.00 0.00 H new ATOM 800 N ALA A 70 -2.070 -1.268 -1.654 1.00 0.00 N ATOM 801 CA ALA A 70 -1.527 -1.745 -2.926 1.00 0.00 C ATOM 802 C ALA A 70 -0.361 -2.729 -2.715 1.00 0.00 C ATOM 803 O ALA A 70 -0.316 -3.773 -3.372 1.00 0.00 O ATOM 804 CB ALA A 70 -1.103 -0.535 -3.768 1.00 0.00 C ATOM 0 H ALA A 70 -1.999 -0.258 -1.534 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.299 -2.300 -3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.696 -0.878 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.968 0.102 -3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.342 0.033 -3.232 1.00 0.00 H new ATOM 810 N VAL A 71 0.550 -2.425 -1.780 1.00 0.00 N ATOM 811 CA VAL A 71 1.660 -3.315 -1.394 1.00 0.00 C ATOM 812 C VAL A 71 1.125 -4.640 -0.840 1.00 0.00 C ATOM 813 O VAL A 71 1.548 -5.703 -1.289 1.00 0.00 O ATOM 814 CB VAL A 71 2.581 -2.672 -0.341 1.00 0.00 C ATOM 815 CG1 VAL A 71 3.820 -3.532 -0.078 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.053 -1.260 -0.711 1.00 0.00 C ATOM 0 H VAL A 71 0.539 -1.546 -1.264 1.00 0.00 H new ATOM 0 HA VAL A 71 2.241 -3.496 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 71 1.964 -2.602 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.447 -3.047 0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.512 -4.512 0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.384 -3.650 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.697 -0.873 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.609 -1.296 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.189 -0.606 -0.827 1.00 0.00 H new ATOM 826 N GLU A 72 0.187 -4.590 0.112 1.00 0.00 N ATOM 827 CA GLU A 72 -0.424 -5.759 0.754 1.00 0.00 C ATOM 828 C GLU A 72 -1.077 -6.699 -0.273 1.00 0.00 C ATOM 829 O GLU A 72 -0.951 -7.917 -0.177 1.00 0.00 O ATOM 830 CB GLU A 72 -1.474 -5.333 1.806 1.00 0.00 C ATOM 831 CG GLU A 72 -1.309 -6.073 3.139 1.00 0.00 C ATOM 832 CD GLU A 72 -2.622 -6.087 3.950 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.182 -5.002 4.241 1.00 0.00 O ATOM 834 OE2 GLU A 72 -3.099 -7.190 4.319 1.00 0.00 O ATOM 0 H GLU A 72 -0.179 -3.707 0.468 1.00 0.00 H new ATOM 0 HA GLU A 72 0.381 -6.299 1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.395 -4.260 1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.473 -5.520 1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.987 -7.097 2.949 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.524 -5.596 3.726 1.00 0.00 H new ATOM 841 N GLU A 73 -1.748 -6.141 -1.285 1.00 0.00 N ATOM 842 CA GLU A 73 -2.335 -6.915 -2.383 1.00 0.00 C ATOM 843 C GLU A 73 -1.269 -7.544 -3.305 1.00 0.00 C ATOM 844 O GLU A 73 -1.456 -8.649 -3.815 1.00 0.00 O ATOM 845 CB GLU A 73 -3.294 -6.014 -3.179 1.00 0.00 C ATOM 846 CG GLU A 73 -4.312 -6.849 -3.972 1.00 0.00 C ATOM 847 CD GLU A 73 -5.379 -5.986 -4.678 1.00 0.00 C ATOM 848 OE1 GLU A 73 -5.052 -4.896 -5.207 1.00 0.00 O ATOM 849 OE2 GLU A 73 -6.560 -6.410 -4.731 1.00 0.00 O ATOM 0 H GLU A 73 -1.900 -5.136 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.887 -7.749 -1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.820 -5.346 -2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.723 -5.386 -3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.784 -7.445 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.806 -7.547 -3.296 1.00 0.00 H new ATOM 856 N LEU A 74 -0.129 -6.868 -3.507 1.00 0.00 N ATOM 857 CA LEU A 74 1.016 -7.375 -4.279 1.00 0.00 C ATOM 858 C LEU A 74 1.597 -8.672 -3.674 1.00 0.00 C ATOM 859 O LEU A 74 2.035 -9.549 -4.414 1.00 0.00 O ATOM 860 CB LEU A 74 2.075 -6.259 -4.432 1.00 0.00 C ATOM 861 CG LEU A 74 2.768 -6.204 -5.810 1.00 0.00 C ATOM 862 CD1 LEU A 74 3.615 -4.934 -5.905 1.00 0.00 C ATOM 863 CD2 LEU A 74 3.680 -7.394 -6.111 1.00 0.00 C ATOM 0 H LEU A 74 0.027 -5.933 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 74 0.671 -7.651 -5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.598 -5.297 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.837 -6.393 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 74 1.960 -6.223 -6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.104 -4.895 -6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.975 -4.060 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.370 -4.941 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.124 -7.271 -7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.470 -7.446 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.097 -8.315 -6.087 1.00 0.00 H new ATOM 875 N LEU A 75 1.531 -8.843 -2.347 1.00 0.00 N ATOM 876 CA LEU A 75 1.973 -10.053 -1.634 1.00 0.00 C ATOM 877 C LEU A 75 1.303 -11.329 -2.180 1.00 0.00 C ATOM 878 O LEU A 75 1.988 -12.278 -2.559 1.00 0.00 O ATOM 879 CB LEU A 75 1.701 -9.932 -0.121 1.00 0.00 C ATOM 880 CG LEU A 75 2.210 -8.654 0.565 1.00 0.00 C ATOM 881 CD1 LEU A 75 1.738 -8.646 2.014 1.00 0.00 C ATOM 882 CD2 LEU A 75 3.732 -8.547 0.550 1.00 0.00 C ATOM 0 H LEU A 75 1.160 -8.127 -1.722 1.00 0.00 H new ATOM 0 HA LEU A 75 3.047 -10.138 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.625 -10.000 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.153 -10.790 0.377 1.00 0.00 H new ATOM 0 HG LEU A 75 1.810 -7.806 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.095 -7.742 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.649 -8.669 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.132 -9.521 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.037 -7.626 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.162 -9.401 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.086 -8.537 -0.481 1.00 0.00 H new ATOM 894 N GLU A 76 -0.032 -11.355 -2.236 1.00 0.00 N ATOM 895 CA GLU A 76 -0.812 -12.460 -2.807 1.00 0.00 C ATOM 896 C GLU A 76 -0.736 -12.521 -4.345 1.00 0.00 C ATOM 897 O GLU A 76 -0.746 -13.619 -4.908 1.00 0.00 O ATOM 898 CB GLU A 76 -2.274 -12.340 -2.347 1.00 0.00 C ATOM 899 CG GLU A 76 -2.567 -13.107 -1.050 1.00 0.00 C ATOM 900 CD GLU A 76 -1.806 -12.571 0.179 1.00 0.00 C ATOM 901 OE1 GLU A 76 -2.120 -11.452 0.650 1.00 0.00 O ATOM 902 OE2 GLU A 76 -0.926 -13.290 0.708 1.00 0.00 O ATOM 0 H GLU A 76 -0.612 -10.596 -1.880 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.376 -13.390 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.517 -11.287 -2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.928 -12.711 -3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.637 -13.065 -0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.311 -14.157 -1.194 1.00 0.00 H new ATOM 909 N ARG A 77 -0.632 -11.375 -5.042 1.00 0.00 N ATOM 910 CA ARG A 77 -0.456 -11.326 -6.511 1.00 0.00 C ATOM 911 C ARG A 77 0.895 -11.871 -6.998 1.00 0.00 C ATOM 912 O ARG A 77 0.991 -12.289 -8.153 1.00 0.00 O ATOM 913 CB ARG A 77 -0.673 -9.897 -7.043 1.00 0.00 C ATOM 914 CG ARG A 77 -2.158 -9.501 -7.071 1.00 0.00 C ATOM 915 CD ARG A 77 -2.402 -8.180 -7.816 1.00 0.00 C ATOM 916 NE ARG A 77 -1.996 -6.989 -7.039 1.00 0.00 N ATOM 917 CZ ARG A 77 -2.192 -5.727 -7.393 1.00 0.00 C ATOM 918 NH1 ARG A 77 -2.748 -5.411 -8.530 1.00 0.00 N ATOM 919 NH2 ARG A 77 -1.827 -4.746 -6.618 1.00 0.00 N ATOM 0 H ARG A 77 -0.667 -10.454 -4.605 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.219 -11.990 -6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.124 -9.192 -6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.260 -9.820 -8.049 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.733 -10.295 -7.548 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.526 -9.411 -6.049 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.854 -8.195 -8.758 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.460 -8.100 -8.064 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.523 -7.154 -6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.045 -6.144 -9.174 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.886 -4.431 -8.775 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.382 -4.943 -5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.986 -3.781 -6.908 1.00 0.00 H new ATOM 933 N ALA A 78 1.928 -11.891 -6.153 1.00 0.00 N ATOM 934 CA ALA A 78 3.251 -12.432 -6.463 1.00 0.00 C ATOM 935 C ALA A 78 3.251 -13.973 -6.607 1.00 0.00 C ATOM 936 O ALA A 78 3.525 -14.712 -5.661 1.00 0.00 O ATOM 937 CB ALA A 78 4.261 -11.924 -5.425 1.00 0.00 C ATOM 0 H ALA A 78 1.864 -11.519 -5.205 1.00 0.00 H new ATOM 0 HA ALA A 78 3.555 -12.068 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.249 -12.325 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.296 -10.835 -5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.957 -12.251 -4.431 1.00 0.00 H new ATOM 943 N GLU A 79 2.952 -14.462 -7.813 1.00 0.00 N ATOM 944 CA GLU A 79 2.990 -15.881 -8.202 1.00 0.00 C ATOM 945 C GLU A 79 4.423 -16.421 -8.404 1.00 0.00 C ATOM 946 O GLU A 79 4.641 -17.633 -8.359 1.00 0.00 O ATOM 947 CB GLU A 79 2.154 -16.011 -9.490 1.00 0.00 C ATOM 948 CG GLU A 79 2.083 -17.408 -10.125 1.00 0.00 C ATOM 949 CD GLU A 79 1.552 -18.518 -9.188 1.00 0.00 C ATOM 950 OE1 GLU A 79 0.703 -18.240 -8.305 1.00 0.00 O ATOM 951 OE2 GLU A 79 1.945 -19.697 -9.362 1.00 0.00 O ATOM 0 H GLU A 79 2.664 -13.856 -8.581 1.00 0.00 H new ATOM 0 HA GLU A 79 2.578 -16.489 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.137 -15.684 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.558 -15.320 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.444 -17.359 -11.007 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.079 -17.687 -10.468 1.00 0.00 H new ATOM 958 N SER A 80 5.406 -15.537 -8.600 1.00 0.00 N ATOM 959 CA SER A 80 6.826 -15.850 -8.822 1.00 0.00 C ATOM 960 C SER A 80 7.749 -14.950 -7.989 1.00 0.00 C ATOM 961 O SER A 80 7.354 -13.866 -7.549 1.00 0.00 O ATOM 962 CB SER A 80 7.150 -15.729 -10.317 1.00 0.00 C ATOM 963 OG SER A 80 6.953 -14.397 -10.775 1.00 0.00 O ATOM 0 H SER A 80 5.227 -14.533 -8.609 1.00 0.00 H new ATOM 0 HA SER A 80 7.004 -16.874 -8.495 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.183 -16.029 -10.494 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.518 -16.410 -10.886 1.00 0.00 H new ATOM 0 HG SER A 80 7.167 -14.344 -11.730 1.00 0.00 H new ATOM 969 N VAL A 81 9.004 -15.382 -7.792 1.00 0.00 N ATOM 970 CA VAL A 81 10.037 -14.613 -7.068 1.00 0.00 C ATOM 971 C VAL A 81 10.250 -13.225 -7.693 1.00 0.00 C ATOM 972 O VAL A 81 10.401 -12.250 -6.965 1.00 0.00 O ATOM 973 CB VAL A 81 11.370 -15.389 -6.983 1.00 0.00 C ATOM 974 CG1 VAL A 81 12.451 -14.607 -6.221 1.00 0.00 C ATOM 975 CG2 VAL A 81 11.198 -16.728 -6.250 1.00 0.00 C ATOM 0 H VAL A 81 9.337 -16.284 -8.133 1.00 0.00 H new ATOM 0 HA VAL A 81 9.672 -14.468 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 81 11.676 -15.546 -8.017 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.369 -15.194 -6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.642 -13.662 -6.729 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.109 -14.410 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.156 -17.246 -6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.841 -16.545 -5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.474 -17.344 -6.783 1.00 0.00 H new ATOM 985 N GLU A 82 10.182 -13.101 -9.024 1.00 0.00 N ATOM 986 CA GLU A 82 10.289 -11.820 -9.745 1.00 0.00 C ATOM 987 C GLU A 82 9.291 -10.768 -9.220 1.00 0.00 C ATOM 988 O GLU A 82 9.688 -9.661 -8.852 1.00 0.00 O ATOM 989 CB GLU A 82 10.082 -12.045 -11.254 1.00 0.00 C ATOM 990 CG GLU A 82 11.211 -12.835 -11.932 1.00 0.00 C ATOM 991 CD GLU A 82 12.526 -12.033 -12.000 1.00 0.00 C ATOM 992 OE1 GLU A 82 12.639 -11.116 -12.851 1.00 0.00 O ATOM 993 OE2 GLU A 82 13.462 -12.323 -11.217 1.00 0.00 O ATOM 0 H GLU A 82 10.049 -13.900 -9.644 1.00 0.00 H new ATOM 0 HA GLU A 82 11.291 -11.429 -9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.141 -12.574 -11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.986 -11.077 -11.745 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.381 -13.763 -11.386 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.904 -13.111 -12.941 1.00 0.00 H new ATOM 1000 N ARG A 83 7.997 -11.118 -9.137 1.00 0.00 N ATOM 1001 CA ARG A 83 6.948 -10.256 -8.557 1.00 0.00 C ATOM 1002 C ARG A 83 7.109 -10.061 -7.045 1.00 0.00 C ATOM 1003 O ARG A 83 6.759 -9.001 -6.528 1.00 0.00 O ATOM 1004 CB ARG A 83 5.565 -10.851 -8.864 1.00 0.00 C ATOM 1005 CG ARG A 83 5.129 -10.767 -10.338 1.00 0.00 C ATOM 1006 CD ARG A 83 4.446 -9.440 -10.705 1.00 0.00 C ATOM 1007 NE ARG A 83 5.390 -8.317 -10.873 1.00 0.00 N ATOM 1008 CZ ARG A 83 5.071 -7.063 -11.139 1.00 0.00 C ATOM 1009 NH1 ARG A 83 3.835 -6.653 -11.205 1.00 0.00 N ATOM 1010 NH2 ARG A 83 6.002 -6.184 -11.353 1.00 0.00 N ATOM 0 H ARG A 83 7.644 -12.014 -9.473 1.00 0.00 H new ATOM 0 HA ARG A 83 7.047 -9.272 -9.016 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.562 -11.898 -8.560 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.823 -10.339 -8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.003 -10.904 -10.975 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.446 -11.589 -10.553 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.885 -9.573 -11.630 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.725 -9.185 -9.928 1.00 0.00 H new ATOM 0 HE ARG A 83 6.383 -8.530 -10.774 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.071 -7.310 -11.048 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.632 -5.675 -11.413 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.983 -6.461 -11.316 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.752 -5.217 -11.558 1.00 0.00 H new ATOM 1024 N LEU A 84 7.661 -11.050 -6.337 1.00 0.00 N ATOM 1025 CA LEU A 84 7.941 -10.973 -4.900 1.00 0.00 C ATOM 1026 C LEU A 84 8.958 -9.859 -4.583 1.00 0.00 C ATOM 1027 O LEU A 84 8.773 -9.106 -3.629 1.00 0.00 O ATOM 1028 CB LEU A 84 8.414 -12.353 -4.397 1.00 0.00 C ATOM 1029 CG LEU A 84 8.196 -12.570 -2.891 1.00 0.00 C ATOM 1030 CD1 LEU A 84 6.717 -12.816 -2.578 1.00 0.00 C ATOM 1031 CD2 LEU A 84 8.996 -13.776 -2.397 1.00 0.00 C ATOM 0 H LEU A 84 7.930 -11.942 -6.753 1.00 0.00 H new ATOM 0 HA LEU A 84 7.026 -10.708 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.885 -13.131 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.474 -12.468 -4.622 1.00 0.00 H new ATOM 0 HG LEU A 84 8.533 -11.665 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.592 -12.966 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.130 -11.954 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.375 -13.703 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.827 -13.912 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.674 -14.670 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.058 -13.607 -2.578 1.00 0.00 H new ATOM 1043 N GLU A 85 10.001 -9.705 -5.408 1.00 0.00 N ATOM 1044 CA GLU A 85 10.980 -8.613 -5.274 1.00 0.00 C ATOM 1045 C GLU A 85 10.344 -7.216 -5.425 1.00 0.00 C ATOM 1046 O GLU A 85 10.739 -6.283 -4.721 1.00 0.00 O ATOM 1047 CB GLU A 85 12.137 -8.755 -6.279 1.00 0.00 C ATOM 1048 CG GLU A 85 12.925 -10.069 -6.152 1.00 0.00 C ATOM 1049 CD GLU A 85 14.352 -9.965 -6.730 1.00 0.00 C ATOM 1050 OE1 GLU A 85 14.547 -9.384 -7.827 1.00 0.00 O ATOM 1051 OE2 GLU A 85 15.303 -10.480 -6.090 1.00 0.00 O ATOM 0 H GLU A 85 10.192 -10.333 -6.189 1.00 0.00 H new ATOM 0 HA GLU A 85 11.372 -8.700 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.736 -8.681 -7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.823 -7.919 -6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.983 -10.353 -5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.385 -10.863 -6.668 1.00 0.00 H new ATOM 1058 N GLU A 86 9.338 -7.055 -6.296 1.00 0.00 N ATOM 1059 CA GLU A 86 8.605 -5.788 -6.441 1.00 0.00 C ATOM 1060 C GLU A 86 7.850 -5.393 -5.164 1.00 0.00 C ATOM 1061 O GLU A 86 7.947 -4.241 -4.745 1.00 0.00 O ATOM 1062 CB GLU A 86 7.636 -5.807 -7.641 1.00 0.00 C ATOM 1063 CG GLU A 86 8.209 -5.099 -8.875 1.00 0.00 C ATOM 1064 CD GLU A 86 9.121 -6.011 -9.715 1.00 0.00 C ATOM 1065 OE1 GLU A 86 8.580 -6.768 -10.560 1.00 0.00 O ATOM 1066 OE2 GLU A 86 10.365 -5.925 -9.580 1.00 0.00 O ATOM 0 H GLU A 86 9.010 -7.795 -6.917 1.00 0.00 H new ATOM 0 HA GLU A 86 9.368 -5.032 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.401 -6.840 -7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.700 -5.328 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.388 -4.741 -9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.773 -4.223 -8.556 1.00 0.00 H new ATOM 1073 N ALA A 87 7.147 -6.325 -4.508 1.00 0.00 N ATOM 1074 CA ALA A 87 6.470 -6.074 -3.228 1.00 0.00 C ATOM 1075 C ALA A 87 7.409 -5.454 -2.172 1.00 0.00 C ATOM 1076 O ALA A 87 7.045 -4.476 -1.511 1.00 0.00 O ATOM 1077 CB ALA A 87 5.820 -7.373 -2.732 1.00 0.00 C ATOM 0 H ALA A 87 7.031 -7.279 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 87 5.690 -5.331 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.317 -7.189 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.093 -7.719 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.588 -8.134 -2.594 1.00 0.00 H new ATOM 1083 N ALA A 88 8.635 -5.972 -2.049 1.00 0.00 N ATOM 1084 CA ALA A 88 9.655 -5.411 -1.162 1.00 0.00 C ATOM 1085 C ALA A 88 10.076 -3.980 -1.560 1.00 0.00 C ATOM 1086 O ALA A 88 10.326 -3.144 -0.697 1.00 0.00 O ATOM 1087 CB ALA A 88 10.858 -6.364 -1.086 1.00 0.00 C ATOM 0 H ALA A 88 8.947 -6.795 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 88 9.217 -5.318 -0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.615 -5.942 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.534 -7.329 -0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.280 -6.497 -2.082 1.00 0.00 H new ATOM 1093 N SER A 89 10.115 -3.655 -2.852 1.00 0.00 N ATOM 1094 CA SER A 89 10.465 -2.314 -3.338 1.00 0.00 C ATOM 1095 C SER A 89 9.337 -1.307 -3.083 1.00 0.00 C ATOM 1096 O SER A 89 9.590 -0.182 -2.643 1.00 0.00 O ATOM 1097 CB SER A 89 10.816 -2.397 -4.823 1.00 0.00 C ATOM 1098 OG SER A 89 11.276 -1.148 -5.308 1.00 0.00 O ATOM 0 H SER A 89 9.904 -4.317 -3.599 1.00 0.00 H new ATOM 0 HA SER A 89 11.332 -1.952 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.584 -3.156 -4.977 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.940 -2.711 -5.390 1.00 0.00 H new ATOM 0 HG SER A 89 11.496 -1.227 -6.260 1.00 0.00 H new ATOM 1104 N ARG A 90 8.075 -1.723 -3.269 1.00 0.00 N ATOM 1105 CA ARG A 90 6.891 -0.903 -2.963 1.00 0.00 C ATOM 1106 C ARG A 90 6.841 -0.498 -1.486 1.00 0.00 C ATOM 1107 O ARG A 90 6.637 0.679 -1.185 1.00 0.00 O ATOM 1108 CB ARG A 90 5.600 -1.625 -3.391 1.00 0.00 C ATOM 1109 CG ARG A 90 5.443 -1.870 -4.903 1.00 0.00 C ATOM 1110 CD ARG A 90 5.641 -0.621 -5.769 1.00 0.00 C ATOM 1111 NE ARG A 90 4.705 0.464 -5.400 1.00 0.00 N ATOM 1112 CZ ARG A 90 4.724 1.717 -5.821 1.00 0.00 C ATOM 1113 NH1 ARG A 90 5.583 2.129 -6.710 1.00 0.00 N ATOM 1114 NH2 ARG A 90 3.879 2.589 -5.353 1.00 0.00 N ATOM 0 H ARG A 90 7.845 -2.645 -3.639 1.00 0.00 H new ATOM 0 HA ARG A 90 6.972 0.018 -3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.556 -2.586 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.747 -1.041 -3.046 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.161 -2.630 -5.212 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.449 -2.275 -5.092 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.666 -0.266 -5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.499 -0.881 -6.818 1.00 0.00 H new ATOM 0 HE ARG A 90 3.961 0.217 -4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.265 1.478 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.574 3.102 -7.016 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.192 2.309 -4.653 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.904 3.553 -5.686 1.00 0.00 H new ATOM 1128 N LEU A 91 7.079 -1.437 -0.562 1.00 0.00 N ATOM 1129 CA LEU A 91 7.121 -1.148 0.881 1.00 0.00 C ATOM 1130 C LEU A 91 8.322 -0.270 1.277 1.00 0.00 C ATOM 1131 O LEU A 91 8.184 0.610 2.122 1.00 0.00 O ATOM 1132 CB LEU A 91 7.011 -2.468 1.673 1.00 0.00 C ATOM 1133 CG LEU A 91 8.312 -3.171 2.098 1.00 0.00 C ATOM 1134 CD1 LEU A 91 8.850 -2.668 3.440 1.00 0.00 C ATOM 1135 CD2 LEU A 91 8.048 -4.668 2.234 1.00 0.00 C ATOM 0 H LEU A 91 7.248 -2.417 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 91 6.258 -0.538 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.431 -2.268 2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.434 -3.170 1.071 1.00 0.00 H new ATOM 0 HG LEU A 91 9.055 -2.953 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.768 -3.201 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.057 -1.600 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.108 -2.845 4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.966 -5.173 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.278 -4.835 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.712 -5.067 1.277 1.00 0.00 H new ATOM 1147 N GLN A 92 9.484 -0.445 0.639 1.00 0.00 N ATOM 1148 CA GLN A 92 10.677 0.385 0.876 1.00 0.00 C ATOM 1149 C GLN A 92 10.445 1.879 0.575 1.00 0.00 C ATOM 1150 O GLN A 92 11.063 2.745 1.199 1.00 0.00 O ATOM 1151 CB GLN A 92 11.860 -0.191 0.077 1.00 0.00 C ATOM 1152 CG GLN A 92 12.465 -1.419 0.779 1.00 0.00 C ATOM 1153 CD GLN A 92 13.381 -2.244 -0.130 1.00 0.00 C ATOM 1154 OE1 GLN A 92 14.086 -1.739 -0.995 1.00 0.00 O ATOM 1155 NE2 GLN A 92 13.426 -3.549 0.046 1.00 0.00 N ATOM 0 H GLN A 92 9.627 -1.171 -0.062 1.00 0.00 H new ATOM 0 HA GLN A 92 10.911 0.347 1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.525 -0.469 -0.922 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.626 0.575 -0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.030 -1.089 1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.658 -2.055 1.144 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.846 -3.987 0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.041 -4.121 -0.533 1.00 0.00 H new ATOM 1164 N GLY A 93 9.503 2.188 -0.317 1.00 0.00 N ATOM 1165 CA GLY A 93 9.075 3.552 -0.649 1.00 0.00 C ATOM 1166 C GLY A 93 8.154 4.191 0.402 1.00 0.00 C ATOM 1167 O GLY A 93 8.165 5.414 0.555 1.00 0.00 O ATOM 0 H GLY A 93 9.000 1.476 -0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.958 4.179 -0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.558 3.536 -1.609 1.00 0.00 H new ATOM 1171 N LEU A 94 7.395 3.397 1.171 1.00 0.00 N ATOM 1172 CA LEU A 94 6.546 3.896 2.265 1.00 0.00 C ATOM 1173 C LEU A 94 7.354 4.518 3.406 1.00 0.00 C ATOM 1174 O LEU A 94 6.914 5.504 3.990 1.00 0.00 O ATOM 1175 CB LEU A 94 5.642 2.776 2.819 1.00 0.00 C ATOM 1176 CG LEU A 94 4.220 2.788 2.245 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.428 1.622 2.828 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.467 4.077 2.588 1.00 0.00 C ATOM 0 H LEU A 94 7.352 2.385 1.052 1.00 0.00 H new ATOM 0 HA LEU A 94 5.927 4.682 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.102 1.811 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.587 2.869 3.904 1.00 0.00 H new ATOM 0 HG LEU A 94 4.312 2.711 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.417 1.629 2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.917 0.683 2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.383 1.719 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.465 4.038 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.395 4.179 3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.004 4.932 2.178 1.00 0.00 H new ATOM 1190 N GLN A 95 8.540 3.993 3.723 1.00 0.00 N ATOM 1191 CA GLN A 95 9.380 4.552 4.794 1.00 0.00 C ATOM 1192 C GLN A 95 9.790 6.008 4.511 1.00 0.00 C ATOM 1193 O GLN A 95 9.895 6.817 5.434 1.00 0.00 O ATOM 1194 CB GLN A 95 10.596 3.639 5.031 1.00 0.00 C ATOM 1195 CG GLN A 95 11.099 3.732 6.480 1.00 0.00 C ATOM 1196 CD GLN A 95 12.050 2.588 6.827 1.00 0.00 C ATOM 1197 OE1 GLN A 95 11.673 1.595 7.438 1.00 0.00 O ATOM 1198 NE2 GLN A 95 13.311 2.667 6.459 1.00 0.00 N ATOM 0 H GLN A 95 8.944 3.181 3.255 1.00 0.00 H new ATOM 0 HA GLN A 95 8.792 4.585 5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.327 2.607 4.804 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.399 3.917 4.348 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.608 4.685 6.627 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.248 3.716 7.161 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.643 3.486 5.950 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.956 1.909 6.683 1.00 0.00 H new ATOM 1207 N LYS A 96 9.949 6.364 3.230 1.00 0.00 N ATOM 1208 CA LYS A 96 10.323 7.701 2.745 1.00 0.00 C ATOM 1209 C LYS A 96 9.263 8.775 3.027 1.00 0.00 C ATOM 1210 O LYS A 96 9.620 9.921 3.301 1.00 0.00 O ATOM 1211 CB LYS A 96 10.654 7.592 1.247 1.00 0.00 C ATOM 1212 CG LYS A 96 11.628 8.684 0.774 1.00 0.00 C ATOM 1213 CD LYS A 96 12.374 8.260 -0.502 1.00 0.00 C ATOM 1214 CE LYS A 96 13.433 7.188 -0.190 1.00 0.00 C ATOM 1215 NZ LYS A 96 14.053 6.639 -1.425 1.00 0.00 N ATOM 0 H LYS A 96 9.815 5.699 2.468 1.00 0.00 H new ATOM 0 HA LYS A 96 11.200 8.038 3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.087 6.612 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.732 7.658 0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.079 9.606 0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.348 8.897 1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.663 7.873 -1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.853 9.129 -0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.208 7.618 0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.973 6.378 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.760 5.921 -1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.318 6.205 -2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.515 7.407 -1.952 1.00 0.00 H new ATOM 1229 N LEU A 97 7.977 8.406 3.025 1.00 0.00 N ATOM 1230 CA LEU A 97 6.850 9.274 3.375 1.00 0.00 C ATOM 1231 C LEU A 97 7.015 9.786 4.815 1.00 0.00 C ATOM 1232 O LEU A 97 6.961 10.992 5.060 1.00 0.00 O ATOM 1233 CB LEU A 97 5.553 8.465 3.165 1.00 0.00 C ATOM 1234 CG LEU A 97 4.284 9.032 3.800 1.00 0.00 C ATOM 1235 CD1 LEU A 97 3.916 10.438 3.336 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.125 8.081 3.500 1.00 0.00 C ATOM 0 H LEU A 97 7.684 7.463 2.771 1.00 0.00 H new ATOM 0 HA LEU A 97 6.809 10.159 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.383 8.366 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.711 7.460 3.557 1.00 0.00 H new ATOM 0 HG LEU A 97 4.481 9.115 4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.003 10.759 3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.726 11.125 3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.756 10.435 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.210 8.470 3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.995 7.995 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.343 7.098 3.918 1.00 0.00 H new ATOM 1248 N ILE A 98 7.265 8.876 5.762 1.00 0.00 N ATOM 1249 CA ILE A 98 7.527 9.258 7.153 1.00 0.00 C ATOM 1250 C ILE A 98 8.879 9.948 7.303 1.00 0.00 C ATOM 1251 O ILE A 98 8.950 10.958 7.990 1.00 0.00 O ATOM 1252 CB ILE A 98 7.410 8.075 8.129 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.024 7.417 8.003 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.616 8.593 9.551 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.136 6.100 7.247 1.00 0.00 C ATOM 0 H ILE A 98 7.291 7.871 5.591 1.00 0.00 H new ATOM 0 HA ILE A 98 6.747 9.971 7.420 1.00 0.00 H new ATOM 0 HB ILE A 98 8.167 7.327 7.893 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.605 7.242 8.994 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.341 8.087 7.482 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.536 7.765 10.255 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.604 9.045 9.634 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.855 9.339 9.780 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.150 5.643 7.164 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.535 6.286 6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.803 5.427 7.785 1.00 0.00 H new ATOM 1267 N ASN A 99 9.937 9.459 6.649 1.00 0.00 N ATOM 1268 CA ASN A 99 11.272 10.064 6.714 1.00 0.00 C ATOM 1269 C ASN A 99 11.261 11.567 6.350 1.00 0.00 C ATOM 1270 O ASN A 99 12.043 12.342 6.900 1.00 0.00 O ATOM 1271 CB ASN A 99 12.216 9.260 5.808 1.00 0.00 C ATOM 1272 CG ASN A 99 13.681 9.526 6.107 1.00 0.00 C ATOM 1273 OD1 ASN A 99 14.311 10.411 5.550 1.00 0.00 O ATOM 1274 ND2 ASN A 99 14.276 8.746 6.982 1.00 0.00 N ATOM 0 H ASN A 99 9.892 8.629 6.057 1.00 0.00 H new ATOM 0 HA ASN A 99 11.630 10.021 7.743 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.012 8.196 5.930 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.011 9.507 4.766 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.264 8.880 7.196 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.749 8.007 7.447 1.00 0.00 H new ATOM 1281 N ASP A 100 10.351 11.989 5.462 1.00 0.00 N ATOM 1282 CA ASP A 100 10.150 13.399 5.098 1.00 0.00 C ATOM 1283 C ASP A 100 9.512 14.207 6.250 1.00 0.00 C ATOM 1284 O ASP A 100 10.070 15.211 6.699 1.00 0.00 O ATOM 1285 CB ASP A 100 9.299 13.486 3.820 1.00 0.00 C ATOM 1286 CG ASP A 100 9.157 14.933 3.311 1.00 0.00 C ATOM 1287 OD1 ASP A 100 10.191 15.624 3.147 1.00 0.00 O ATOM 1288 OD2 ASP A 100 8.017 15.376 3.036 1.00 0.00 O ATOM 0 H ASP A 100 9.725 11.352 4.969 1.00 0.00 H new ATOM 0 HA ASP A 100 11.126 13.846 4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.752 12.872 3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.309 13.073 4.016 1.00 0.00 H new ATOM 1293 N SER A 101 8.355 13.758 6.756 1.00 0.00 N ATOM 1294 CA SER A 101 7.540 14.434 7.788 1.00 0.00 C ATOM 1295 C SER A 101 7.792 13.920 9.220 1.00 0.00 C ATOM 1296 O SER A 101 6.934 14.041 10.096 1.00 0.00 O ATOM 1297 CB SER A 101 6.046 14.351 7.427 1.00 0.00 C ATOM 1298 OG SER A 101 5.818 14.813 6.103 1.00 0.00 O ATOM 0 H SER A 101 7.940 12.878 6.448 1.00 0.00 H new ATOM 0 HA SER A 101 7.856 15.477 7.793 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.702 13.321 7.521 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.464 14.947 8.130 1.00 0.00 H new ATOM 0 HG SER A 101 4.863 14.750 5.894 1.00 0.00 H new ATOM 1304 N VAL A 102 8.955 13.326 9.494 1.00 0.00 N ATOM 1305 CA VAL A 102 9.279 12.643 10.762 1.00 0.00 C ATOM 1306 C VAL A 102 9.204 13.562 11.984 1.00 0.00 C ATOM 1307 O VAL A 102 8.634 13.190 13.009 1.00 0.00 O ATOM 1308 CB VAL A 102 10.648 11.936 10.672 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.805 12.887 10.349 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.966 11.198 11.974 1.00 0.00 C ATOM 0 H VAL A 102 9.724 13.302 8.825 1.00 0.00 H new ATOM 0 HA VAL A 102 8.507 11.888 10.911 1.00 0.00 H new ATOM 0 HB VAL A 102 10.558 11.231 9.846 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.737 12.323 10.301 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.623 13.369 9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.880 13.646 11.127 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.935 10.707 11.887 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.993 11.910 12.799 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.197 10.450 12.165 1.00 0.00 H new ATOM 1320 N PHE A 103 9.728 14.784 11.868 1.00 0.00 N ATOM 1321 CA PHE A 103 9.672 15.812 12.913 1.00 0.00 C ATOM 1322 C PHE A 103 8.297 16.499 13.001 1.00 0.00 C ATOM 1323 O PHE A 103 8.063 17.307 13.902 1.00 0.00 O ATOM 1324 CB PHE A 103 10.784 16.842 12.660 1.00 0.00 C ATOM 1325 CG PHE A 103 12.164 16.242 12.440 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.708 15.344 13.381 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.894 16.555 11.276 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.970 14.763 13.159 1.00 0.00 C ATOM 1329 CE2 PHE A 103 14.157 15.976 11.056 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.695 15.079 11.996 1.00 0.00 C ATOM 0 H PHE A 103 10.214 15.095 11.027 1.00 0.00 H new ATOM 0 HA PHE A 103 9.826 15.324 13.875 1.00 0.00 H new ATOM 0 HB2 PHE A 103 10.518 17.438 11.787 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.830 17.524 13.509 1.00 0.00 H new ATOM 0 HD1 PHE A 103 12.154 15.101 14.276 1.00 0.00 H new ATOM 0 HD2 PHE A 103 12.483 17.241 10.551 1.00 0.00 H new ATOM 0 HE1 PHE A 103 14.382 14.074 13.882 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.714 16.221 10.164 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.664 14.633 11.825 1.00 0.00 H new ATOM 1340 N PHE A 104 7.387 16.178 12.074 1.00 0.00 N ATOM 1341 CA PHE A 104 6.012 16.695 12.043 1.00 0.00 C ATOM 1342 C PHE A 104 5.032 15.726 12.728 1.00 0.00 C ATOM 1343 O PHE A 104 4.228 16.149 13.563 1.00 0.00 O ATOM 1344 CB PHE A 104 5.612 17.018 10.592 1.00 0.00 C ATOM 1345 CG PHE A 104 4.118 17.039 10.345 1.00 0.00 C ATOM 1346 CD1 PHE A 104 3.371 18.198 10.625 1.00 0.00 C ATOM 1347 CD2 PHE A 104 3.472 15.872 9.894 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.973 18.181 10.470 1.00 0.00 C ATOM 1349 CE2 PHE A 104 2.079 15.858 9.730 1.00 0.00 C ATOM 1350 CZ PHE A 104 1.336 17.007 10.035 1.00 0.00 C ATOM 0 H PHE A 104 7.590 15.537 11.307 1.00 0.00 H new ATOM 0 HA PHE A 104 5.965 17.622 12.615 1.00 0.00 H new ATOM 0 HB2 PHE A 104 6.026 17.989 10.321 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.067 16.281 9.930 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.869 19.097 10.958 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.050 14.986 9.674 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.392 19.066 10.684 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.582 14.968 9.371 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.261 16.989 9.934 1.00 0.00 H new ATOM 1360 N LEU A 105 5.106 14.431 12.402 1.00 0.00 N ATOM 1361 CA LEU A 105 4.288 13.385 13.022 1.00 0.00 C ATOM 1362 C LEU A 105 4.554 13.263 14.533 1.00 0.00 C ATOM 1363 O LEU A 105 5.702 13.287 14.985 1.00 0.00 O ATOM 1364 CB LEU A 105 4.555 12.042 12.318 1.00 0.00 C ATOM 1365 CG LEU A 105 4.050 11.960 10.864 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.321 10.554 10.338 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.556 12.240 10.709 1.00 0.00 C ATOM 0 H LEU A 105 5.745 14.076 11.690 1.00 0.00 H new ATOM 0 HA LEU A 105 3.240 13.661 12.904 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.628 11.851 12.326 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.086 11.246 12.896 1.00 0.00 H new ATOM 0 HG LEU A 105 4.581 12.730 10.305 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.970 10.477 9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.392 10.353 10.372 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.795 9.827 10.956 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.279 12.163 9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.987 11.513 11.288 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.335 13.244 11.070 1.00 0.00 H new ATOM 1379 N ALA A 106 3.480 13.121 15.315 1.00 0.00 N ATOM 1380 CA ALA A 106 3.557 12.887 16.758 1.00 0.00 C ATOM 1381 C ALA A 106 4.185 11.517 17.065 1.00 0.00 C ATOM 1382 O ALA A 106 4.129 10.613 16.231 1.00 0.00 O ATOM 1383 CB ALA A 106 2.138 12.955 17.336 1.00 0.00 C ATOM 0 H ALA A 106 2.525 13.166 14.960 1.00 0.00 H new ATOM 0 HA ALA A 106 4.189 13.650 17.213 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.175 12.783 18.412 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.712 13.939 17.140 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.517 12.191 16.867 1.00 0.00 H new ATOM 1389 N ALA A 107 4.683 11.315 18.289 1.00 0.00 N ATOM 1390 CA ALA A 107 5.253 10.032 18.721 1.00 0.00 C ATOM 1391 C ALA A 107 4.277 8.848 18.525 1.00 0.00 C ATOM 1392 O ALA A 107 4.693 7.745 18.169 1.00 0.00 O ATOM 1393 CB ALA A 107 5.703 10.167 20.181 1.00 0.00 C ATOM 0 H ALA A 107 4.703 12.036 19.010 1.00 0.00 H new ATOM 0 HA ALA A 107 6.112 9.800 18.092 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.129 9.223 20.519 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.454 10.953 20.259 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.846 10.422 20.804 1.00 0.00 H new ATOM 1399 N TYR A 108 2.974 9.102 18.700 1.00 0.00 N ATOM 1400 CA TYR A 108 1.874 8.162 18.467 1.00 0.00 C ATOM 1401 C TYR A 108 1.797 7.752 16.986 1.00 0.00 C ATOM 1402 O TYR A 108 1.919 6.577 16.642 1.00 0.00 O ATOM 1403 CB TYR A 108 0.563 8.820 18.938 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.695 8.087 18.506 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -1.069 6.891 19.148 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.471 8.585 17.439 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -2.212 6.188 18.717 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.611 7.883 17.004 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.983 6.679 17.642 1.00 0.00 C ATOM 1410 OH TYR A 108 -4.080 5.988 17.227 1.00 0.00 O ATOM 0 H TYR A 108 2.644 10.012 19.023 1.00 0.00 H new ATOM 0 HA TYR A 108 2.046 7.247 19.035 1.00 0.00 H new ATOM 0 HB2 TYR A 108 0.575 8.888 20.026 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.524 9.840 18.556 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.480 6.512 19.970 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.190 9.508 16.954 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.498 5.271 19.211 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.200 8.265 16.183 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.500 6.460 16.478 1.00 0.00 H new ATOM 1420 N ASP A 109 1.610 8.733 16.101 1.00 0.00 N ATOM 1421 CA ASP A 109 1.409 8.545 14.658 1.00 0.00 C ATOM 1422 C ASP A 109 2.654 7.973 13.960 1.00 0.00 C ATOM 1423 O ASP A 109 2.563 7.129 13.067 1.00 0.00 O ATOM 1424 CB ASP A 109 1.022 9.896 14.041 1.00 0.00 C ATOM 1425 CG ASP A 109 -0.237 9.801 13.163 1.00 0.00 C ATOM 1426 OD1 ASP A 109 -0.339 8.866 12.336 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -1.137 10.661 13.321 1.00 0.00 O ATOM 0 H ASP A 109 1.593 9.715 16.376 1.00 0.00 H new ATOM 0 HA ASP A 109 0.612 7.815 14.513 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.852 10.621 14.837 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.852 10.270 13.442 1.00 0.00 H new ATOM 1432 N LEU A 110 3.835 8.406 14.408 1.00 0.00 N ATOM 1433 CA LEU A 110 5.133 7.918 13.958 1.00 0.00 C ATOM 1434 C LEU A 110 5.275 6.419 14.254 1.00 0.00 C ATOM 1435 O LEU A 110 5.597 5.636 13.357 1.00 0.00 O ATOM 1436 CB LEU A 110 6.222 8.766 14.647 1.00 0.00 C ATOM 1437 CG LEU A 110 7.583 8.640 13.959 1.00 0.00 C ATOM 1438 CD1 LEU A 110 7.599 9.474 12.681 1.00 0.00 C ATOM 1439 CD2 LEU A 110 8.707 9.159 14.849 1.00 0.00 C ATOM 0 H LEU A 110 3.912 9.132 15.120 1.00 0.00 H new ATOM 0 HA LEU A 110 5.238 8.023 12.878 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.916 9.812 14.651 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.314 8.457 15.688 1.00 0.00 H new ATOM 0 HG LEU A 110 7.738 7.582 13.745 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.571 9.379 12.197 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.821 9.119 12.005 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.417 10.520 12.927 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.660 9.055 14.330 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.533 10.210 15.080 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.733 8.584 15.775 1.00 0.00 H new ATOM 1451 N ARG A 111 4.974 6.001 15.493 1.00 0.00 N ATOM 1452 CA ARG A 111 4.972 4.588 15.900 1.00 0.00 C ATOM 1453 C ARG A 111 3.929 3.751 15.158 1.00 0.00 C ATOM 1454 O ARG A 111 4.206 2.615 14.776 1.00 0.00 O ATOM 1455 CB ARG A 111 4.864 4.504 17.433 1.00 0.00 C ATOM 1456 CG ARG A 111 5.231 3.125 17.999 1.00 0.00 C ATOM 1457 CD ARG A 111 5.302 3.188 19.531 1.00 0.00 C ATOM 1458 NE ARG A 111 5.621 1.874 20.123 1.00 0.00 N ATOM 1459 CZ ARG A 111 5.702 1.582 21.411 1.00 0.00 C ATOM 1460 NH1 ARG A 111 5.527 2.481 22.339 1.00 0.00 N ATOM 1461 NH2 ARG A 111 5.964 0.366 21.799 1.00 0.00 N ATOM 0 H ARG A 111 4.723 6.640 16.247 1.00 0.00 H new ATOM 0 HA ARG A 111 5.919 4.135 15.605 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.517 5.255 17.877 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.845 4.751 17.731 1.00 0.00 H new ATOM 0 HG2 ARG A 111 4.490 2.387 17.691 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.190 2.801 17.595 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.059 3.914 19.830 1.00 0.00 H new ATOM 0 HD3 ARG A 111 4.349 3.541 19.924 1.00 0.00 H new ATOM 0 HE ARG A 111 5.798 1.110 19.470 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.320 3.446 22.082 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.597 2.219 23.322 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.109 -0.370 21.108 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.025 0.150 22.794 1.00 0.00 H new ATOM 1475 N GLN A 112 2.774 4.343 14.879 1.00 0.00 N ATOM 1476 CA GLN A 112 1.694 3.738 14.083 1.00 0.00 C ATOM 1477 C GLN A 112 2.136 3.439 12.636 1.00 0.00 C ATOM 1478 O GLN A 112 2.007 2.299 12.183 1.00 0.00 O ATOM 1479 CB GLN A 112 0.438 4.630 14.116 1.00 0.00 C ATOM 1480 CG GLN A 112 -0.436 4.411 15.362 1.00 0.00 C ATOM 1481 CD GLN A 112 -1.329 3.179 15.219 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -2.377 3.208 14.585 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -0.962 2.045 15.779 1.00 0.00 N ATOM 0 H GLN A 112 2.549 5.283 15.205 1.00 0.00 H new ATOM 0 HA GLN A 112 1.446 2.778 14.536 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.743 5.676 14.075 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.159 4.437 13.225 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.202 4.298 16.238 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -1.056 5.292 15.531 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.093 1.997 16.312 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.546 1.215 15.680 1.00 0.00 H new ATOM 1492 N GLY A 113 2.684 4.426 11.917 1.00 0.00 N ATOM 1493 CA GLY A 113 3.179 4.262 10.545 1.00 0.00 C ATOM 1494 C GLY A 113 4.322 3.247 10.429 1.00 0.00 C ATOM 1495 O GLY A 113 4.305 2.372 9.560 1.00 0.00 O ATOM 0 H GLY A 113 2.798 5.374 12.277 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.356 3.946 9.905 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.521 5.227 10.172 1.00 0.00 H new ATOM 1499 N GLN A 114 5.309 3.328 11.325 1.00 0.00 N ATOM 1500 CA GLN A 114 6.472 2.436 11.314 1.00 0.00 C ATOM 1501 C GLN A 114 6.103 0.971 11.626 1.00 0.00 C ATOM 1502 O GLN A 114 6.658 0.064 11.001 1.00 0.00 O ATOM 1503 CB GLN A 114 7.556 2.973 12.265 1.00 0.00 C ATOM 1504 CG GLN A 114 8.599 3.875 11.585 1.00 0.00 C ATOM 1505 CD GLN A 114 8.111 5.263 11.209 1.00 0.00 C ATOM 1506 OE1 GLN A 114 7.135 5.451 10.503 1.00 0.00 O ATOM 1507 NE2 GLN A 114 8.820 6.295 11.613 1.00 0.00 N ATOM 0 H GLN A 114 5.325 4.014 12.079 1.00 0.00 H new ATOM 0 HA GLN A 114 6.874 2.426 10.301 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.075 3.533 13.067 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.068 2.129 12.728 1.00 0.00 H new ATOM 0 HG2 GLN A 114 9.456 3.977 12.251 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.954 3.376 10.683 1.00 0.00 H new ATOM 0 HE21 GLN A 114 9.639 6.151 12.204 1.00 0.00 H new ATOM 0 HE22 GLN A 114 8.551 7.239 11.335 1.00 0.00 H new ATOM 1516 N GLU A 115 5.156 0.705 12.537 1.00 0.00 N ATOM 1517 CA GLU A 115 4.685 -0.667 12.798 1.00 0.00 C ATOM 1518 C GLU A 115 4.018 -1.314 11.580 1.00 0.00 C ATOM 1519 O GLU A 115 4.226 -2.493 11.283 1.00 0.00 O ATOM 1520 CB GLU A 115 3.741 -0.731 14.002 1.00 0.00 C ATOM 1521 CG GLU A 115 4.475 -0.823 15.346 1.00 0.00 C ATOM 1522 CD GLU A 115 3.527 -1.324 16.453 1.00 0.00 C ATOM 1523 OE1 GLU A 115 2.766 -0.511 17.033 1.00 0.00 O ATOM 1524 OE2 GLU A 115 3.537 -2.545 16.755 1.00 0.00 O ATOM 0 H GLU A 115 4.701 1.419 13.106 1.00 0.00 H new ATOM 0 HA GLU A 115 5.584 -1.240 13.026 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.105 0.154 14.003 1.00 0.00 H new ATOM 0 HB3 GLU A 115 3.085 -1.595 13.895 1.00 0.00 H new ATOM 0 HG2 GLU A 115 5.325 -1.499 15.256 1.00 0.00 H new ATOM 0 HG3 GLU A 115 4.872 0.155 15.616 1.00 0.00 H new ATOM 1531 N ALA A 116 3.243 -0.523 10.845 1.00 0.00 N ATOM 1532 CA ALA A 116 2.574 -0.946 9.618 1.00 0.00 C ATOM 1533 C ALA A 116 3.568 -1.322 8.504 1.00 0.00 C ATOM 1534 O ALA A 116 3.369 -2.325 7.824 1.00 0.00 O ATOM 1535 CB ALA A 116 1.620 0.160 9.180 1.00 0.00 C ATOM 0 H ALA A 116 3.058 0.450 11.090 1.00 0.00 H new ATOM 0 HA ALA A 116 2.009 -1.856 9.819 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.111 -0.140 8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.883 0.336 9.963 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.183 1.076 8.999 1.00 0.00 H new ATOM 1541 N LEU A 117 4.656 -0.564 8.336 1.00 0.00 N ATOM 1542 CA LEU A 117 5.740 -0.858 7.386 1.00 0.00 C ATOM 1543 C LEU A 117 6.347 -2.248 7.626 1.00 0.00 C ATOM 1544 O LEU A 117 6.532 -3.027 6.688 1.00 0.00 O ATOM 1545 CB LEU A 117 6.826 0.231 7.530 1.00 0.00 C ATOM 1546 CG LEU A 117 6.917 1.178 6.323 1.00 0.00 C ATOM 1547 CD1 LEU A 117 7.013 2.624 6.802 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.144 0.838 5.482 1.00 0.00 C ATOM 0 H LEU A 117 4.814 0.292 8.868 1.00 0.00 H new ATOM 0 HA LEU A 117 5.332 -0.858 6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.623 0.818 8.426 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.793 -0.250 7.676 1.00 0.00 H new ATOM 0 HG LEU A 117 6.021 1.058 5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.077 3.289 5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.128 2.873 7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.903 2.744 7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.199 1.515 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.043 0.945 6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.068 -0.189 5.126 1.00 0.00 H new ATOM 1560 N ALA A 118 6.610 -2.571 8.895 1.00 0.00 N ATOM 1561 CA ALA A 118 7.128 -3.875 9.304 1.00 0.00 C ATOM 1562 C ALA A 118 6.163 -5.018 8.961 1.00 0.00 C ATOM 1563 O ALA A 118 6.609 -6.106 8.602 1.00 0.00 O ATOM 1564 CB ALA A 118 7.382 -3.863 10.810 1.00 0.00 C ATOM 0 H ALA A 118 6.467 -1.927 9.673 1.00 0.00 H new ATOM 0 HA ALA A 118 8.054 -4.051 8.757 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.769 -4.833 11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.110 -3.088 11.050 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.449 -3.659 11.335 1.00 0.00 H new ATOM 1570 N ARG A 119 4.846 -4.771 9.035 1.00 0.00 N ATOM 1571 CA ARG A 119 3.803 -5.748 8.700 1.00 0.00 C ATOM 1572 C ARG A 119 3.948 -6.243 7.259 1.00 0.00 C ATOM 1573 O ARG A 119 3.992 -7.448 7.023 1.00 0.00 O ATOM 1574 CB ARG A 119 2.406 -5.139 8.936 1.00 0.00 C ATOM 1575 CG ARG A 119 1.316 -6.203 9.126 1.00 0.00 C ATOM 1576 CD ARG A 119 -0.074 -5.556 9.038 1.00 0.00 C ATOM 1577 NE ARG A 119 -1.124 -6.423 9.607 1.00 0.00 N ATOM 1578 CZ ARG A 119 -2.423 -6.183 9.648 1.00 0.00 C ATOM 1579 NH1 ARG A 119 -2.967 -5.170 9.033 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -3.216 -6.962 10.326 1.00 0.00 N ATOM 0 H ARG A 119 4.471 -3.871 9.335 1.00 0.00 H new ATOM 0 HA ARG A 119 3.921 -6.611 9.356 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.439 -4.498 9.817 1.00 0.00 H new ATOM 0 HB3 ARG A 119 2.144 -4.504 8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 119 1.415 -6.976 8.364 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.438 -6.691 10.093 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -0.065 -4.603 9.567 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -0.308 -5.340 7.996 1.00 0.00 H new ATOM 0 HE ARG A 119 -0.813 -7.305 10.014 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -2.385 -4.528 8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -3.974 -5.020 9.090 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -2.836 -7.763 10.830 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -4.218 -6.771 10.353 1.00 0.00 H new ATOM 1594 N LEU A 120 4.067 -5.310 6.308 1.00 0.00 N ATOM 1595 CA LEU A 120 4.230 -5.598 4.873 1.00 0.00 C ATOM 1596 C LEU A 120 5.528 -6.389 4.616 1.00 0.00 C ATOM 1597 O LEU A 120 5.539 -7.351 3.847 1.00 0.00 O ATOM 1598 CB LEU A 120 4.222 -4.284 4.059 1.00 0.00 C ATOM 1599 CG LEU A 120 3.117 -3.272 4.423 1.00 0.00 C ATOM 1600 CD1 LEU A 120 3.231 -2.010 3.572 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.708 -3.845 4.268 1.00 0.00 C ATOM 0 H LEU A 120 4.053 -4.311 6.516 1.00 0.00 H new ATOM 0 HA LEU A 120 3.391 -6.213 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.189 -3.797 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.125 -4.534 3.003 1.00 0.00 H new ATOM 0 HG LEU A 120 3.270 -3.032 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.440 -1.312 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.202 -1.544 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.132 -2.271 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.975 -3.086 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.551 -4.149 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.593 -4.710 4.921 1.00 0.00 H new ATOM 1613 N GLN A 121 6.616 -6.001 5.291 1.00 0.00 N ATOM 1614 CA GLN A 121 7.938 -6.622 5.198 1.00 0.00 C ATOM 1615 C GLN A 121 7.940 -8.064 5.738 1.00 0.00 C ATOM 1616 O GLN A 121 8.377 -8.988 5.050 1.00 0.00 O ATOM 1617 CB GLN A 121 8.920 -5.681 5.917 1.00 0.00 C ATOM 1618 CG GLN A 121 10.367 -6.187 5.962 1.00 0.00 C ATOM 1619 CD GLN A 121 11.393 -5.110 5.603 1.00 0.00 C ATOM 1620 OE1 GLN A 121 12.133 -5.218 4.633 1.00 0.00 O ATOM 1621 NE2 GLN A 121 11.488 -4.032 6.354 1.00 0.00 N ATOM 0 H GLN A 121 6.597 -5.216 5.941 1.00 0.00 H new ATOM 0 HA GLN A 121 8.249 -6.739 4.160 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.903 -4.711 5.421 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.571 -5.523 6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 121 10.582 -6.566 6.961 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.474 -7.025 5.274 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.881 -3.921 7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 121 12.168 -3.308 6.123 1.00 0.00 H new ATOM 1630 N ALA A 122 7.408 -8.277 6.944 1.00 0.00 N ATOM 1631 CA ALA A 122 7.265 -9.594 7.563 1.00 0.00 C ATOM 1632 C ALA A 122 6.323 -10.526 6.778 1.00 0.00 C ATOM 1633 O ALA A 122 6.617 -11.713 6.637 1.00 0.00 O ATOM 1634 CB ALA A 122 6.778 -9.398 9.003 1.00 0.00 C ATOM 0 H ALA A 122 7.057 -7.519 7.530 1.00 0.00 H new ATOM 0 HA ALA A 122 8.236 -10.089 7.555 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.664 -10.369 9.484 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.505 -8.802 9.555 1.00 0.00 H new ATOM 0 HB3 ALA A 122 5.818 -8.882 8.995 1.00 0.00 H new ATOM 1640 N ALA A 123 5.224 -10.004 6.222 1.00 0.00 N ATOM 1641 CA ALA A 123 4.305 -10.767 5.377 1.00 0.00 C ATOM 1642 C ALA A 123 5.004 -11.336 4.126 1.00 0.00 C ATOM 1643 O ALA A 123 4.788 -12.495 3.766 1.00 0.00 O ATOM 1644 CB ALA A 123 3.107 -9.882 5.030 1.00 0.00 C ATOM 0 H ALA A 123 4.947 -9.031 6.349 1.00 0.00 H new ATOM 0 HA ALA A 123 3.950 -11.639 5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.414 -10.439 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.601 -9.579 5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.451 -8.996 4.496 1.00 0.00 H new ATOM 1650 N LEU A 124 5.888 -10.559 3.485 1.00 0.00 N ATOM 1651 CA LEU A 124 6.686 -11.038 2.352 1.00 0.00 C ATOM 1652 C LEU A 124 7.602 -12.197 2.779 1.00 0.00 C ATOM 1653 O LEU A 124 7.722 -13.200 2.073 1.00 0.00 O ATOM 1654 CB LEU A 124 7.514 -9.877 1.770 1.00 0.00 C ATOM 1655 CG LEU A 124 7.997 -10.165 0.337 1.00 0.00 C ATOM 1656 CD1 LEU A 124 6.816 -10.092 -0.629 1.00 0.00 C ATOM 1657 CD2 LEU A 124 9.027 -9.127 -0.094 1.00 0.00 C ATOM 0 H LEU A 124 6.068 -9.587 3.737 1.00 0.00 H new ATOM 0 HA LEU A 124 6.011 -11.412 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.913 -8.968 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 124 8.376 -9.691 2.411 1.00 0.00 H new ATOM 0 HG LEU A 124 8.444 -11.159 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 124 7.162 -10.296 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 124 6.067 -10.832 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 124 6.375 -9.096 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 124 9.359 -9.344 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 124 8.578 -8.134 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 124 9.881 -9.160 0.582 1.00 0.00 H new ATOM 1669 N ALA A 125 8.193 -12.082 3.973 1.00 0.00 N ATOM 1670 CA ALA A 125 9.013 -13.115 4.603 1.00 0.00 C ATOM 1671 C ALA A 125 8.241 -14.420 4.912 1.00 0.00 C ATOM 1672 O ALA A 125 8.862 -15.457 5.142 1.00 0.00 O ATOM 1673 CB ALA A 125 9.703 -12.533 5.847 1.00 0.00 C ATOM 0 H ALA A 125 8.110 -11.240 4.543 1.00 0.00 H new ATOM 0 HA ALA A 125 9.774 -13.416 3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.315 -13.303 6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.336 -11.695 5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.948 -12.187 6.553 1.00 0.00 H new ATOM 1679 N GLU A 126 6.902 -14.399 4.918 1.00 0.00 N ATOM 1680 CA GLU A 126 6.064 -15.595 5.092 1.00 0.00 C ATOM 1681 C GLU A 126 5.728 -16.218 3.725 1.00 0.00 C ATOM 1682 O GLU A 126 5.715 -17.443 3.593 1.00 0.00 O ATOM 1683 CB GLU A 126 4.781 -15.289 5.888 1.00 0.00 C ATOM 1684 CG GLU A 126 5.063 -15.020 7.372 1.00 0.00 C ATOM 1685 CD GLU A 126 3.774 -15.120 8.213 1.00 0.00 C ATOM 1686 OE1 GLU A 126 2.861 -14.274 8.049 1.00 0.00 O ATOM 1687 OE2 GLU A 126 3.662 -16.053 9.047 1.00 0.00 O ATOM 0 H GLU A 126 6.363 -13.541 4.801 1.00 0.00 H new ATOM 0 HA GLU A 126 6.636 -16.317 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.285 -14.422 5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 126 4.092 -16.129 5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.797 -15.736 7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.500 -14.028 7.488 1.00 0.00 H new ATOM 1694 N ARG A 127 5.489 -15.400 2.684 1.00 0.00 N ATOM 1695 CA ARG A 127 5.229 -15.870 1.305 1.00 0.00 C ATOM 1696 C ARG A 127 6.470 -16.487 0.653 1.00 0.00 C ATOM 1697 O ARG A 127 6.335 -17.463 -0.086 1.00 0.00 O ATOM 1698 CB ARG A 127 4.683 -14.729 0.421 1.00 0.00 C ATOM 1699 CG ARG A 127 3.149 -14.646 0.351 1.00 0.00 C ATOM 1700 CD ARG A 127 2.466 -14.098 1.610 1.00 0.00 C ATOM 1701 NE ARG A 127 2.312 -15.109 2.676 1.00 0.00 N ATOM 1702 CZ ARG A 127 1.561 -14.996 3.757 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.828 -13.943 3.980 1.00 0.00 N ATOM 1704 NH2 ARG A 127 1.525 -15.951 4.643 1.00 0.00 N ATOM 0 H ARG A 127 5.470 -14.384 2.774 1.00 0.00 H new ATOM 0 HA ARG A 127 4.474 -16.652 1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.067 -13.781 0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.073 -14.853 -0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 127 2.874 -14.017 -0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 127 2.756 -15.642 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 127 3.047 -13.260 1.995 1.00 0.00 H new ATOM 0 HD3 ARG A 127 1.484 -13.709 1.342 1.00 0.00 H new ATOM 0 HE ARG A 127 2.836 -15.978 2.567 1.00 0.00 H new ATOM 0 HH11 ARG A 127 0.823 -13.174 3.310 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.259 -13.887 4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 127 2.080 -16.796 4.505 1.00 0.00 H new ATOM 0 HH22 ARG A 127 0.942 -15.854 5.474 1.00 0.00 H new ATOM 1718 N ARG A 128 7.675 -15.976 0.954 1.00 0.00 N ATOM 1719 CA ARG A 128 8.959 -16.476 0.407 1.00 0.00 C ATOM 1720 C ARG A 128 9.134 -17.985 0.572 1.00 0.00 C ATOM 1721 O ARG A 128 9.615 -18.642 -0.343 1.00 0.00 O ATOM 1722 CB ARG A 128 10.151 -15.693 1.001 1.00 0.00 C ATOM 1723 CG ARG A 128 10.660 -16.191 2.366 1.00 0.00 C ATOM 1724 CD ARG A 128 11.677 -15.242 3.028 1.00 0.00 C ATOM 1725 NE ARG A 128 13.038 -15.815 3.079 1.00 0.00 N ATOM 1726 CZ ARG A 128 14.010 -15.714 2.189 1.00 0.00 C ATOM 1727 NH1 ARG A 128 13.857 -15.090 1.056 1.00 0.00 N ATOM 1728 NH2 ARG A 128 15.173 -16.245 2.430 1.00 0.00 N ATOM 0 H ARG A 128 7.792 -15.191 1.594 1.00 0.00 H new ATOM 0 HA ARG A 128 8.934 -16.297 -0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 128 10.977 -15.729 0.290 1.00 0.00 H new ATOM 0 HB3 ARG A 128 9.862 -14.647 1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.810 -16.323 3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.120 -17.171 2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 128 11.703 -14.302 2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 128 11.346 -15.010 4.040 1.00 0.00 H new ATOM 0 HE ARG A 128 13.257 -16.361 3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 128 12.962 -14.657 0.829 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.632 -15.034 0.396 1.00 0.00 H new ATOM 0 HH21 ARG A 128 15.336 -16.740 3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 128 15.922 -16.166 1.742 1.00 0.00 H new