USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=7 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 20:sc= 0.00292 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 96 LYS NZ :NH3+ -161:sc=-0.000756 (180deg=-0.537) 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=-0.00682 K(o=-0.0068,f=-0.73) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -2.929 18.581 8.470 1.00 0.00 N ATOM 575 CA ASN A 56 -2.112 17.852 7.491 1.00 0.00 C ATOM 576 C ASN A 56 -1.818 16.404 7.924 1.00 0.00 C ATOM 577 O ASN A 56 -1.515 15.563 7.075 1.00 0.00 O ATOM 578 CB ASN A 56 -0.793 18.604 7.228 1.00 0.00 C ATOM 579 CG ASN A 56 -0.985 19.932 6.514 1.00 0.00 C ATOM 580 OD1 ASN A 56 -0.902 20.029 5.296 1.00 0.00 O ATOM 581 ND2 ASN A 56 -1.209 21.001 7.244 1.00 0.00 N ATOM 0 HA ASN A 56 -2.693 17.800 6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.289 18.781 8.178 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.136 17.971 6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.314 21.911 6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.278 20.920 8.258 1.00 0.00 H new ATOM 588 N SER A 57 -1.940 16.075 9.218 1.00 0.00 N ATOM 589 CA SER A 57 -1.744 14.703 9.720 1.00 0.00 C ATOM 590 C SER A 57 -2.759 13.733 9.105 1.00 0.00 C ATOM 591 O SER A 57 -2.412 12.610 8.741 1.00 0.00 O ATOM 592 CB SER A 57 -1.791 14.665 11.252 1.00 0.00 C ATOM 593 OG SER A 57 -3.116 14.843 11.718 1.00 0.00 O ATOM 0 H SER A 57 -2.177 16.749 9.946 1.00 0.00 H new ATOM 0 HA SER A 57 -0.752 14.375 9.411 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.400 13.712 11.609 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.149 15.446 11.660 1.00 0.00 H new ATOM 0 HG SER A 57 -3.125 14.814 12.698 1.00 0.00 H new ATOM 599 N HIS A 58 -3.998 14.194 8.885 1.00 0.00 N ATOM 600 CA HIS A 58 -5.056 13.434 8.208 1.00 0.00 C ATOM 601 C HIS A 58 -4.646 13.026 6.788 1.00 0.00 C ATOM 602 O HIS A 58 -4.916 11.895 6.384 1.00 0.00 O ATOM 603 CB HIS A 58 -6.355 14.253 8.169 1.00 0.00 C ATOM 604 CG HIS A 58 -7.191 14.186 9.425 1.00 0.00 C ATOM 605 ND1 HIS A 58 -8.537 13.869 9.459 1.00 0.00 N ATOM 606 CD2 HIS A 58 -6.776 14.425 10.706 1.00 0.00 C ATOM 607 CE1 HIS A 58 -8.936 13.909 10.746 1.00 0.00 C ATOM 608 NE2 HIS A 58 -7.882 14.245 11.522 1.00 0.00 N ATOM 0 H HIS A 58 -4.298 15.124 9.179 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.222 12.520 8.779 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.104 15.295 7.973 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.959 13.908 7.330 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.780 14.700 11.021 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.936 13.705 11.100 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -7.898 14.349 12.537 1.00 0.00 H new ATOM 617 N PHE A 59 -3.965 13.910 6.044 1.00 0.00 N ATOM 618 CA PHE A 59 -3.440 13.598 4.707 1.00 0.00 C ATOM 619 C PHE A 59 -2.483 12.407 4.764 1.00 0.00 C ATOM 620 O PHE A 59 -2.664 11.454 4.010 1.00 0.00 O ATOM 621 CB PHE A 59 -2.754 14.815 4.062 1.00 0.00 C ATOM 622 CG PHE A 59 -2.553 14.666 2.560 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.614 13.750 2.039 1.00 0.00 C ATOM 624 CD2 PHE A 59 -3.333 15.433 1.672 1.00 0.00 C ATOM 625 CE1 PHE A 59 -1.489 13.572 0.648 1.00 0.00 C ATOM 626 CE2 PHE A 59 -3.191 15.270 0.281 1.00 0.00 C ATOM 627 CZ PHE A 59 -2.278 14.332 -0.231 1.00 0.00 C ATOM 0 H PHE A 59 -3.763 14.861 6.352 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.290 13.331 4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.352 15.705 4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.786 14.972 4.537 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.988 13.182 2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.043 16.149 2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.786 12.851 0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.785 15.867 -0.395 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.183 14.196 -1.298 1.00 0.00 H new ATOM 637 N PHE A 60 -1.495 12.436 5.670 1.00 0.00 N ATOM 638 CA PHE A 60 -0.565 11.325 5.876 1.00 0.00 C ATOM 639 C PHE A 60 -1.306 10.014 6.151 1.00 0.00 C ATOM 640 O PHE A 60 -1.079 9.040 5.438 1.00 0.00 O ATOM 641 CB PHE A 60 0.409 11.624 7.022 1.00 0.00 C ATOM 642 CG PHE A 60 1.203 10.404 7.459 1.00 0.00 C ATOM 643 CD1 PHE A 60 1.981 9.705 6.519 1.00 0.00 C ATOM 644 CD2 PHE A 60 1.081 9.899 8.769 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.608 8.503 6.880 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.736 8.708 9.136 1.00 0.00 C ATOM 647 CZ PHE A 60 2.490 8.004 8.184 1.00 0.00 C ATOM 0 H PHE A 60 -1.321 13.234 6.280 1.00 0.00 H new ATOM 0 HA PHE A 60 0.004 11.210 4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.099 12.407 6.710 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.149 12.012 7.874 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.096 10.094 5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.482 10.428 9.495 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.186 7.959 6.148 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.659 8.337 10.147 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.978 7.080 8.456 1.00 0.00 H new ATOM 657 N VAL A 61 -2.213 9.987 7.134 1.00 0.00 N ATOM 658 CA VAL A 61 -3.002 8.782 7.442 1.00 0.00 C ATOM 659 C VAL A 61 -3.751 8.274 6.205 1.00 0.00 C ATOM 660 O VAL A 61 -3.766 7.069 5.964 1.00 0.00 O ATOM 661 CB VAL A 61 -3.967 8.999 8.626 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.736 7.711 8.951 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.207 9.424 9.887 1.00 0.00 C ATOM 0 H VAL A 61 -2.421 10.786 7.733 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.293 8.013 7.747 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.661 9.785 8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.409 7.891 9.789 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.315 7.403 8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.031 6.923 9.215 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.912 9.570 10.705 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.491 8.648 10.159 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.676 10.357 9.695 1.00 0.00 H new ATOM 673 N ALA A 62 -4.305 9.172 5.384 1.00 0.00 N ATOM 674 CA ALA A 62 -4.984 8.814 4.135 1.00 0.00 C ATOM 675 C ALA A 62 -4.027 8.163 3.116 1.00 0.00 C ATOM 676 O ALA A 62 -4.217 7.003 2.743 1.00 0.00 O ATOM 677 CB ALA A 62 -5.698 10.045 3.557 1.00 0.00 C ATOM 0 H ALA A 62 -4.295 10.175 5.569 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.735 8.057 4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.200 9.772 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.434 10.409 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.967 10.829 3.357 1.00 0.00 H new ATOM 683 N THR A 63 -2.990 8.887 2.676 1.00 0.00 N ATOM 684 CA THR A 63 -2.003 8.398 1.694 1.00 0.00 C ATOM 685 C THR A 63 -1.301 7.118 2.169 1.00 0.00 C ATOM 686 O THR A 63 -1.179 6.160 1.408 1.00 0.00 O ATOM 687 CB THR A 63 -1.008 9.504 1.289 1.00 0.00 C ATOM 688 OG1 THR A 63 -0.218 9.072 0.202 1.00 0.00 O ATOM 689 CG2 THR A 63 -0.059 9.970 2.378 1.00 0.00 C ATOM 0 H THR A 63 -2.807 9.839 2.993 1.00 0.00 H new ATOM 0 HA THR A 63 -2.552 8.126 0.793 1.00 0.00 H new ATOM 0 HB THR A 63 -1.647 10.352 1.040 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.410 9.782 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.594 10.748 1.983 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.633 10.369 3.215 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.544 9.129 2.720 1.00 0.00 H new ATOM 697 N PHE A 64 -0.927 7.037 3.449 1.00 0.00 N ATOM 698 CA PHE A 64 -0.293 5.869 4.058 1.00 0.00 C ATOM 699 C PHE A 64 -1.223 4.649 4.093 1.00 0.00 C ATOM 700 O PHE A 64 -0.836 3.581 3.624 1.00 0.00 O ATOM 701 CB PHE A 64 0.196 6.236 5.464 1.00 0.00 C ATOM 702 CG PHE A 64 1.014 5.134 6.093 1.00 0.00 C ATOM 703 CD1 PHE A 64 2.389 5.033 5.821 1.00 0.00 C ATOM 704 CD2 PHE A 64 0.384 4.167 6.895 1.00 0.00 C ATOM 705 CE1 PHE A 64 3.120 3.945 6.313 1.00 0.00 C ATOM 706 CE2 PHE A 64 1.120 3.075 7.384 1.00 0.00 C ATOM 707 CZ PHE A 64 2.480 2.956 7.072 1.00 0.00 C ATOM 0 H PHE A 64 -1.062 7.805 4.107 1.00 0.00 H new ATOM 0 HA PHE A 64 0.558 5.582 3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.795 7.145 5.412 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.662 6.456 6.099 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.881 5.794 5.233 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.665 4.263 7.135 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.177 3.868 6.108 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.638 2.329 7.999 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.038 2.098 7.418 1.00 0.00 H new ATOM 717 N ALA A 65 -2.451 4.787 4.612 1.00 0.00 N ATOM 718 CA ALA A 65 -3.453 3.715 4.638 1.00 0.00 C ATOM 719 C ALA A 65 -3.758 3.155 3.234 1.00 0.00 C ATOM 720 O ALA A 65 -3.879 1.941 3.050 1.00 0.00 O ATOM 721 CB ALA A 65 -4.722 4.226 5.314 1.00 0.00 C ATOM 0 H ALA A 65 -2.779 5.657 5.030 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.043 2.884 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.468 3.432 5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.492 4.535 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.113 5.077 4.757 1.00 0.00 H new ATOM 727 N ARG A 66 -3.845 4.038 2.233 1.00 0.00 N ATOM 728 CA ARG A 66 -4.048 3.699 0.815 1.00 0.00 C ATOM 729 C ARG A 66 -2.841 2.991 0.196 1.00 0.00 C ATOM 730 O ARG A 66 -3.011 2.013 -0.530 1.00 0.00 O ATOM 731 CB ARG A 66 -4.392 4.989 0.049 1.00 0.00 C ATOM 732 CG ARG A 66 -5.810 5.489 0.384 1.00 0.00 C ATOM 733 CD ARG A 66 -6.884 4.785 -0.455 1.00 0.00 C ATOM 734 NE ARG A 66 -6.911 5.314 -1.833 1.00 0.00 N ATOM 735 CZ ARG A 66 -7.631 4.876 -2.849 1.00 0.00 C ATOM 736 NH1 ARG A 66 -8.399 3.828 -2.755 1.00 0.00 N ATOM 737 NH2 ARG A 66 -7.591 5.497 -3.993 1.00 0.00 N ATOM 0 H ARG A 66 -3.774 5.043 2.390 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.872 2.989 0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.665 5.763 0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.314 4.808 -1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.011 5.324 1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.864 6.564 0.213 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.688 3.713 -0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.861 4.921 0.010 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.303 6.111 -2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.458 3.316 -1.875 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.941 3.519 -3.562 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.003 6.323 -4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.148 5.158 -4.777 1.00 0.00 H new ATOM 751 N GLU A 67 -1.627 3.445 0.496 1.00 0.00 N ATOM 752 CA GLU A 67 -0.389 2.834 0.008 1.00 0.00 C ATOM 753 C GLU A 67 -0.147 1.454 0.631 1.00 0.00 C ATOM 754 O GLU A 67 0.107 0.497 -0.104 1.00 0.00 O ATOM 755 CB GLU A 67 0.805 3.756 0.283 1.00 0.00 C ATOM 756 CG GLU A 67 0.980 4.881 -0.745 1.00 0.00 C ATOM 757 CD GLU A 67 1.440 4.335 -2.112 1.00 0.00 C ATOM 758 OE1 GLU A 67 2.657 4.091 -2.297 1.00 0.00 O ATOM 759 OE2 GLU A 67 0.588 4.147 -3.014 1.00 0.00 O ATOM 0 H GLU A 67 -1.471 4.258 1.092 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.496 2.695 -1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.688 4.198 1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.715 3.156 0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.037 5.415 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.710 5.601 -0.376 1.00 0.00 H new ATOM 766 N ARG A 68 -0.257 1.320 1.965 1.00 0.00 N ATOM 767 CA ARG A 68 -0.017 0.048 2.676 1.00 0.00 C ATOM 768 C ARG A 68 -0.909 -1.066 2.116 1.00 0.00 C ATOM 769 O ARG A 68 -0.451 -2.180 1.878 1.00 0.00 O ATOM 770 CB ARG A 68 -0.107 0.237 4.217 1.00 0.00 C ATOM 771 CG ARG A 68 -1.522 0.394 4.797 1.00 0.00 C ATOM 772 CD ARG A 68 -1.634 0.123 6.307 1.00 0.00 C ATOM 773 NE ARG A 68 -1.682 1.343 7.137 1.00 0.00 N ATOM 774 CZ ARG A 68 -1.917 1.386 8.441 1.00 0.00 C ATOM 775 NH1 ARG A 68 -2.077 0.304 9.147 1.00 0.00 N ATOM 776 NH2 ARG A 68 -1.985 2.518 9.082 1.00 0.00 N ATOM 0 H ARG A 68 -0.515 2.090 2.582 1.00 0.00 H new ATOM 0 HA ARG A 68 1.006 -0.279 2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.367 -0.620 4.696 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.475 1.117 4.489 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.871 1.407 4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.193 -0.284 4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.532 -0.466 6.494 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.784 -0.483 6.620 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.520 2.232 6.665 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.023 -0.610 8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.257 0.371 10.149 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.856 3.397 8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.167 2.526 10.086 1.00 0.00 H new ATOM 790 N ALA A 69 -2.160 -0.722 1.813 1.00 0.00 N ATOM 791 CA ALA A 69 -3.164 -1.618 1.244 1.00 0.00 C ATOM 792 C ALA A 69 -2.774 -2.139 -0.154 1.00 0.00 C ATOM 793 O ALA A 69 -2.933 -3.328 -0.434 1.00 0.00 O ATOM 794 CB ALA A 69 -4.504 -0.871 1.206 1.00 0.00 C ATOM 0 H ALA A 69 -2.514 0.223 1.963 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.242 -2.504 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.271 -1.521 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.789 -0.583 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.405 0.022 0.589 1.00 0.00 H new ATOM 800 N ALA A 70 -2.233 -1.277 -1.024 1.00 0.00 N ATOM 801 CA ALA A 70 -1.757 -1.667 -2.351 1.00 0.00 C ATOM 802 C ALA A 70 -0.587 -2.665 -2.278 1.00 0.00 C ATOM 803 O ALA A 70 -0.609 -3.686 -2.969 1.00 0.00 O ATOM 804 CB ALA A 70 -1.376 -0.405 -3.136 1.00 0.00 C ATOM 0 H ALA A 70 -2.114 -0.284 -0.823 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.561 -2.186 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.020 -0.687 -4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.249 0.240 -3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.588 0.129 -2.606 1.00 0.00 H new ATOM 810 N VAL A 71 0.411 -2.419 -1.416 1.00 0.00 N ATOM 811 CA VAL A 71 1.530 -3.358 -1.191 1.00 0.00 C ATOM 812 C VAL A 71 1.030 -4.698 -0.641 1.00 0.00 C ATOM 813 O VAL A 71 1.450 -5.755 -1.116 1.00 0.00 O ATOM 814 CB VAL A 71 2.623 -2.772 -0.271 1.00 0.00 C ATOM 815 CG1 VAL A 71 3.874 -3.662 -0.296 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.028 -1.361 -0.717 1.00 0.00 C ATOM 0 H VAL A 71 0.469 -1.569 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 71 1.986 -3.529 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 71 2.209 -2.728 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.636 -3.237 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.616 -4.662 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.259 -3.719 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.799 -0.976 -0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.415 -1.398 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.158 -0.705 -0.683 1.00 0.00 H new ATOM 826 N GLU A 72 0.088 -4.665 0.308 1.00 0.00 N ATOM 827 CA GLU A 72 -0.555 -5.858 0.878 1.00 0.00 C ATOM 828 C GLU A 72 -1.296 -6.717 -0.170 1.00 0.00 C ATOM 829 O GLU A 72 -1.434 -7.928 0.003 1.00 0.00 O ATOM 830 CB GLU A 72 -1.527 -5.454 2.000 1.00 0.00 C ATOM 831 CG GLU A 72 -1.620 -6.516 3.103 1.00 0.00 C ATOM 832 CD GLU A 72 -2.985 -6.473 3.819 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.986 -6.983 3.258 1.00 0.00 O ATOM 834 OE2 GLU A 72 -3.068 -5.944 4.954 1.00 0.00 O ATOM 0 H GLU A 72 -0.256 -3.793 0.710 1.00 0.00 H new ATOM 0 HA GLU A 72 0.249 -6.475 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.202 -4.509 2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.517 -5.286 1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.466 -7.505 2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.823 -6.358 3.829 1.00 0.00 H new ATOM 841 N GLU A 73 -1.752 -6.114 -1.272 1.00 0.00 N ATOM 842 CA GLU A 73 -2.411 -6.813 -2.382 1.00 0.00 C ATOM 843 C GLU A 73 -1.427 -7.281 -3.471 1.00 0.00 C ATOM 844 O GLU A 73 -1.608 -8.356 -4.043 1.00 0.00 O ATOM 845 CB GLU A 73 -3.519 -5.915 -2.961 1.00 0.00 C ATOM 846 CG GLU A 73 -4.592 -6.746 -3.678 1.00 0.00 C ATOM 847 CD GLU A 73 -5.896 -5.944 -3.856 1.00 0.00 C ATOM 848 OE1 GLU A 73 -5.938 -5.018 -4.702 1.00 0.00 O ATOM 849 OE2 GLU A 73 -6.898 -6.244 -3.159 1.00 0.00 O ATOM 0 H GLU A 73 -1.673 -5.108 -1.421 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.856 -7.726 -1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.979 -5.338 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.083 -5.200 -3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.220 -7.060 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.795 -7.652 -3.107 1.00 0.00 H new ATOM 856 N LEU A 74 -0.346 -6.534 -3.726 1.00 0.00 N ATOM 857 CA LEU A 74 0.722 -6.915 -4.663 1.00 0.00 C ATOM 858 C LEU A 74 1.384 -8.243 -4.270 1.00 0.00 C ATOM 859 O LEU A 74 1.511 -9.141 -5.101 1.00 0.00 O ATOM 860 CB LEU A 74 1.750 -5.773 -4.752 1.00 0.00 C ATOM 861 CG LEU A 74 3.044 -6.132 -5.517 1.00 0.00 C ATOM 862 CD1 LEU A 74 2.800 -6.575 -6.962 1.00 0.00 C ATOM 863 CD2 LEU A 74 3.977 -4.927 -5.502 1.00 0.00 C ATOM 0 H LEU A 74 -0.185 -5.631 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 74 0.282 -7.075 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.282 -4.917 -5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.015 -5.461 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 74 3.491 -6.985 -5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.753 -6.811 -7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.163 -7.459 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.310 -5.771 -7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.894 -5.170 -6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.487 -4.081 -5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.219 -4.667 -4.471 1.00 0.00 H new ATOM 875 N LEU A 75 1.790 -8.384 -3.004 1.00 0.00 N ATOM 876 CA LEU A 75 2.379 -9.624 -2.479 1.00 0.00 C ATOM 877 C LEU A 75 1.444 -10.845 -2.595 1.00 0.00 C ATOM 878 O LEU A 75 1.909 -11.977 -2.698 1.00 0.00 O ATOM 879 CB LEU A 75 2.884 -9.378 -1.048 1.00 0.00 C ATOM 880 CG LEU A 75 1.822 -9.004 0.004 1.00 0.00 C ATOM 881 CD1 LEU A 75 1.205 -10.231 0.672 1.00 0.00 C ATOM 882 CD2 LEU A 75 2.461 -8.163 1.110 1.00 0.00 C ATOM 0 H LEU A 75 1.720 -7.639 -2.310 1.00 0.00 H new ATOM 0 HA LEU A 75 3.231 -9.890 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.398 -10.278 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.626 -8.581 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 75 1.043 -8.455 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.463 -9.912 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.725 -10.854 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.986 -10.804 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.705 -7.902 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.256 -8.735 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.878 -7.252 0.680 1.00 0.00 H new ATOM 894 N GLU A 76 0.127 -10.619 -2.599 1.00 0.00 N ATOM 895 CA GLU A 76 -0.903 -11.644 -2.808 1.00 0.00 C ATOM 896 C GLU A 76 -1.054 -11.994 -4.303 1.00 0.00 C ATOM 897 O GLU A 76 -1.247 -13.163 -4.651 1.00 0.00 O ATOM 898 CB GLU A 76 -2.239 -11.161 -2.208 1.00 0.00 C ATOM 899 CG GLU A 76 -2.453 -11.625 -0.758 1.00 0.00 C ATOM 900 CD GLU A 76 -2.833 -13.117 -0.604 1.00 0.00 C ATOM 901 OE1 GLU A 76 -2.921 -13.865 -1.608 1.00 0.00 O ATOM 902 OE2 GLU A 76 -3.060 -13.559 0.549 1.00 0.00 O ATOM 0 H GLU A 76 -0.265 -9.689 -2.452 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.597 -12.558 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.273 -10.072 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.060 -11.526 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.540 -11.437 -0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.238 -11.016 -0.309 1.00 0.00 H new ATOM 909 N ARG A 77 -0.934 -11.005 -5.204 1.00 0.00 N ATOM 910 CA ARG A 77 -0.948 -11.196 -6.670 1.00 0.00 C ATOM 911 C ARG A 77 0.338 -11.839 -7.213 1.00 0.00 C ATOM 912 O ARG A 77 0.300 -12.465 -8.274 1.00 0.00 O ATOM 913 CB ARG A 77 -1.201 -9.855 -7.383 1.00 0.00 C ATOM 914 CG ARG A 77 -2.658 -9.388 -7.235 1.00 0.00 C ATOM 915 CD ARG A 77 -2.952 -8.140 -8.078 1.00 0.00 C ATOM 916 NE ARG A 77 -2.989 -8.449 -9.525 1.00 0.00 N ATOM 917 CZ ARG A 77 -3.341 -7.637 -10.506 1.00 0.00 C ATOM 918 NH1 ARG A 77 -3.674 -6.395 -10.294 1.00 0.00 N ATOM 919 NH2 ARG A 77 -3.367 -8.063 -11.738 1.00 0.00 N ATOM 0 H ARG A 77 -0.822 -10.029 -4.931 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.762 -11.890 -6.879 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.534 -9.096 -6.974 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.959 -9.956 -8.441 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.329 -10.193 -7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.865 -9.174 -6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.907 -7.713 -7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.190 -7.385 -7.887 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.712 -9.393 -9.795 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.668 -6.020 -9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.940 -5.798 -11.077 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.115 -9.028 -11.949 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.640 -7.431 -12.491 1.00 0.00 H new ATOM 933 N ALA A 78 1.465 -11.698 -6.512 1.00 0.00 N ATOM 934 CA ALA A 78 2.748 -12.313 -6.853 1.00 0.00 C ATOM 935 C ALA A 78 2.661 -13.854 -6.949 1.00 0.00 C ATOM 936 O ALA A 78 2.055 -14.509 -6.100 1.00 0.00 O ATOM 937 CB ALA A 78 3.789 -11.872 -5.813 1.00 0.00 C ATOM 0 H ALA A 78 1.510 -11.134 -5.663 1.00 0.00 H new ATOM 0 HA ALA A 78 3.047 -11.975 -7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.753 -12.321 -6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.881 -10.786 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.472 -12.196 -4.821 1.00 0.00 H new ATOM 943 N GLU A 79 3.300 -14.435 -7.973 1.00 0.00 N ATOM 944 CA GLU A 79 3.309 -15.888 -8.251 1.00 0.00 C ATOM 945 C GLU A 79 4.714 -16.519 -8.225 1.00 0.00 C ATOM 946 O GLU A 79 4.846 -17.737 -8.094 1.00 0.00 O ATOM 947 CB GLU A 79 2.617 -16.165 -9.601 1.00 0.00 C ATOM 948 CG GLU A 79 3.415 -15.671 -10.825 1.00 0.00 C ATOM 949 CD GLU A 79 2.754 -16.001 -12.183 1.00 0.00 C ATOM 950 OE1 GLU A 79 1.553 -16.364 -12.240 1.00 0.00 O ATOM 951 OE2 GLU A 79 3.446 -15.887 -13.224 1.00 0.00 O ATOM 0 H GLU A 79 3.841 -13.899 -8.652 1.00 0.00 H new ATOM 0 HA GLU A 79 2.756 -16.363 -7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.448 -17.237 -9.698 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.637 -15.687 -9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.545 -14.591 -10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.410 -16.115 -10.800 1.00 0.00 H new ATOM 958 N SER A 80 5.760 -15.696 -8.355 1.00 0.00 N ATOM 959 CA SER A 80 7.178 -16.079 -8.389 1.00 0.00 C ATOM 960 C SER A 80 8.044 -15.020 -7.694 1.00 0.00 C ATOM 961 O SER A 80 7.585 -13.911 -7.406 1.00 0.00 O ATOM 962 CB SER A 80 7.640 -16.261 -9.847 1.00 0.00 C ATOM 963 OG SER A 80 7.204 -17.505 -10.371 1.00 0.00 O ATOM 0 H SER A 80 5.634 -14.688 -8.444 1.00 0.00 H new ATOM 0 HA SER A 80 7.292 -17.023 -7.856 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.249 -15.448 -10.459 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.727 -16.203 -9.897 1.00 0.00 H new ATOM 0 HG SER A 80 6.459 -17.844 -9.832 1.00 0.00 H new ATOM 969 N VAL A 81 9.321 -15.346 -7.463 1.00 0.00 N ATOM 970 CA VAL A 81 10.305 -14.475 -6.786 1.00 0.00 C ATOM 971 C VAL A 81 10.465 -13.110 -7.483 1.00 0.00 C ATOM 972 O VAL A 81 10.735 -12.108 -6.828 1.00 0.00 O ATOM 973 CB VAL A 81 11.675 -15.181 -6.648 1.00 0.00 C ATOM 974 CG1 VAL A 81 12.637 -14.363 -5.773 1.00 0.00 C ATOM 975 CG2 VAL A 81 11.548 -16.569 -6.003 1.00 0.00 C ATOM 0 H VAL A 81 9.714 -16.243 -7.746 1.00 0.00 H new ATOM 0 HA VAL A 81 9.912 -14.281 -5.788 1.00 0.00 H new ATOM 0 HB VAL A 81 12.060 -15.277 -7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.591 -14.885 -5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.795 -13.383 -6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.208 -14.240 -4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.534 -17.026 -5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.116 -16.469 -5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.903 -17.198 -6.617 1.00 0.00 H new ATOM 985 N GLU A 82 10.231 -13.028 -8.798 1.00 0.00 N ATOM 986 CA GLU A 82 10.301 -11.787 -9.588 1.00 0.00 C ATOM 987 C GLU A 82 9.364 -10.683 -9.049 1.00 0.00 C ATOM 988 O GLU A 82 9.797 -9.565 -8.758 1.00 0.00 O ATOM 989 CB GLU A 82 9.978 -12.110 -11.059 1.00 0.00 C ATOM 990 CG GLU A 82 10.476 -11.007 -12.000 1.00 0.00 C ATOM 991 CD GLU A 82 9.716 -11.018 -13.340 1.00 0.00 C ATOM 992 OE1 GLU A 82 8.639 -10.379 -13.431 1.00 0.00 O ATOM 993 OE2 GLU A 82 10.190 -11.654 -14.314 1.00 0.00 O ATOM 0 H GLU A 82 9.981 -13.842 -9.359 1.00 0.00 H new ATOM 0 HA GLU A 82 11.313 -11.391 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.439 -13.059 -11.334 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.901 -12.232 -11.178 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.354 -10.036 -11.520 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.542 -11.140 -12.185 1.00 0.00 H new ATOM 1000 N ARG A 83 8.072 -11.005 -8.884 1.00 0.00 N ATOM 1001 CA ARG A 83 7.043 -10.115 -8.308 1.00 0.00 C ATOM 1002 C ARG A 83 7.265 -9.858 -6.815 1.00 0.00 C ATOM 1003 O ARG A 83 6.987 -8.765 -6.323 1.00 0.00 O ATOM 1004 CB ARG A 83 5.657 -10.744 -8.536 1.00 0.00 C ATOM 1005 CG ARG A 83 5.187 -10.678 -9.999 1.00 0.00 C ATOM 1006 CD ARG A 83 4.470 -9.352 -10.285 1.00 0.00 C ATOM 1007 NE ARG A 83 4.144 -9.196 -11.717 1.00 0.00 N ATOM 1008 CZ ARG A 83 3.186 -9.785 -12.412 1.00 0.00 C ATOM 1009 NH1 ARG A 83 2.341 -10.619 -11.874 1.00 0.00 N ATOM 1010 NH2 ARG A 83 3.060 -9.545 -13.686 1.00 0.00 N ATOM 0 H ARG A 83 7.700 -11.916 -9.154 1.00 0.00 H new ATOM 0 HA ARG A 83 7.111 -9.149 -8.809 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.683 -11.786 -8.218 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.928 -10.236 -7.905 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.043 -10.784 -10.665 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.516 -11.511 -10.207 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.554 -9.301 -9.697 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.100 -8.523 -9.964 1.00 0.00 H new ATOM 0 HE ARG A 83 4.736 -8.549 -12.238 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.404 -10.839 -10.880 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.616 -11.052 -12.447 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.701 -8.901 -14.150 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.320 -10.001 -14.220 1.00 0.00 H new ATOM 1024 N LEU A 84 7.796 -10.851 -6.102 1.00 0.00 N ATOM 1025 CA LEU A 84 8.154 -10.759 -4.685 1.00 0.00 C ATOM 1026 C LEU A 84 9.239 -9.691 -4.431 1.00 0.00 C ATOM 1027 O LEU A 84 9.109 -8.865 -3.528 1.00 0.00 O ATOM 1028 CB LEU A 84 8.617 -12.151 -4.229 1.00 0.00 C ATOM 1029 CG LEU A 84 8.568 -12.308 -2.706 1.00 0.00 C ATOM 1030 CD1 LEU A 84 7.156 -12.703 -2.259 1.00 0.00 C ATOM 1031 CD2 LEU A 84 9.569 -13.361 -2.229 1.00 0.00 C ATOM 0 H LEU A 84 7.995 -11.767 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 84 7.286 -10.443 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.987 -12.911 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.635 -12.326 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 84 8.835 -11.349 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.135 -12.811 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.449 -11.930 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.879 -13.649 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.513 -13.452 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.332 -14.322 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.577 -13.061 -2.516 1.00 0.00 H new ATOM 1043 N GLU A 85 10.299 -9.684 -5.244 1.00 0.00 N ATOM 1044 CA GLU A 85 11.373 -8.679 -5.215 1.00 0.00 C ATOM 1045 C GLU A 85 10.845 -7.259 -5.501 1.00 0.00 C ATOM 1046 O GLU A 85 11.297 -6.293 -4.883 1.00 0.00 O ATOM 1047 CB GLU A 85 12.452 -9.052 -6.247 1.00 0.00 C ATOM 1048 CG GLU A 85 13.355 -10.222 -5.815 1.00 0.00 C ATOM 1049 CD GLU A 85 14.398 -9.837 -4.743 1.00 0.00 C ATOM 1050 OE1 GLU A 85 15.054 -8.773 -4.863 1.00 0.00 O ATOM 1051 OE2 GLU A 85 14.599 -10.620 -3.783 1.00 0.00 O ATOM 0 H GLU A 85 10.441 -10.395 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 85 11.799 -8.674 -4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.966 -9.310 -7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.074 -8.178 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.731 -11.028 -5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.874 -10.612 -6.691 1.00 0.00 H new ATOM 1058 N GLU A 86 9.859 -7.116 -6.396 1.00 0.00 N ATOM 1059 CA GLU A 86 9.195 -5.837 -6.689 1.00 0.00 C ATOM 1060 C GLU A 86 8.445 -5.282 -5.464 1.00 0.00 C ATOM 1061 O GLU A 86 8.596 -4.110 -5.113 1.00 0.00 O ATOM 1062 CB GLU A 86 8.246 -6.012 -7.890 1.00 0.00 C ATOM 1063 CG GLU A 86 7.833 -4.686 -8.541 1.00 0.00 C ATOM 1064 CD GLU A 86 8.999 -4.036 -9.314 1.00 0.00 C ATOM 1065 OE1 GLU A 86 9.280 -4.457 -10.462 1.00 0.00 O ATOM 1066 OE2 GLU A 86 9.635 -3.094 -8.784 1.00 0.00 O ATOM 0 H GLU A 86 9.495 -7.895 -6.945 1.00 0.00 H new ATOM 0 HA GLU A 86 9.961 -5.104 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.731 -6.639 -8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.351 -6.541 -7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.999 -4.860 -9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.480 -3.999 -7.772 1.00 0.00 H new ATOM 1073 N ALA A 87 7.679 -6.121 -4.759 1.00 0.00 N ATOM 1074 CA ALA A 87 6.986 -5.748 -3.522 1.00 0.00 C ATOM 1075 C ALA A 87 7.937 -5.239 -2.417 1.00 0.00 C ATOM 1076 O ALA A 87 7.583 -4.318 -1.676 1.00 0.00 O ATOM 1077 CB ALA A 87 6.167 -6.950 -3.057 1.00 0.00 C ATOM 0 H ALA A 87 7.521 -7.090 -5.035 1.00 0.00 H new ATOM 0 HA ALA A 87 6.330 -4.903 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.641 -6.698 -2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.443 -7.217 -3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.832 -7.795 -2.875 1.00 0.00 H new ATOM 1083 N ALA A 88 9.163 -5.769 -2.338 1.00 0.00 N ATOM 1084 CA ALA A 88 10.183 -5.290 -1.401 1.00 0.00 C ATOM 1085 C ALA A 88 10.630 -3.835 -1.677 1.00 0.00 C ATOM 1086 O ALA A 88 11.106 -3.151 -0.769 1.00 0.00 O ATOM 1087 CB ALA A 88 11.371 -6.260 -1.405 1.00 0.00 C ATOM 0 H ALA A 88 9.475 -6.544 -2.924 1.00 0.00 H new ATOM 0 HA ALA A 88 9.737 -5.267 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 88 12.132 -5.907 -0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.033 -7.251 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.794 -6.313 -2.408 1.00 0.00 H new ATOM 1093 N SER A 89 10.450 -3.332 -2.904 1.00 0.00 N ATOM 1094 CA SER A 89 10.733 -1.932 -3.266 1.00 0.00 C ATOM 1095 C SER A 89 9.561 -1.011 -2.917 1.00 0.00 C ATOM 1096 O SER A 89 9.772 0.129 -2.503 1.00 0.00 O ATOM 1097 CB SER A 89 11.055 -1.801 -4.759 1.00 0.00 C ATOM 1098 OG SER A 89 12.330 -2.360 -5.037 1.00 0.00 O ATOM 0 H SER A 89 10.100 -3.889 -3.684 1.00 0.00 H new ATOM 0 HA SER A 89 11.602 -1.626 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.291 -2.308 -5.349 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.039 -0.751 -5.051 1.00 0.00 H new ATOM 0 HG SER A 89 12.524 -2.272 -5.994 1.00 0.00 H new ATOM 1104 N ARG A 90 8.318 -1.508 -3.009 1.00 0.00 N ATOM 1105 CA ARG A 90 7.106 -0.771 -2.609 1.00 0.00 C ATOM 1106 C ARG A 90 7.106 -0.446 -1.112 1.00 0.00 C ATOM 1107 O ARG A 90 6.848 0.696 -0.728 1.00 0.00 O ATOM 1108 CB ARG A 90 5.841 -1.553 -2.997 1.00 0.00 C ATOM 1109 CG ARG A 90 5.711 -1.924 -4.485 1.00 0.00 C ATOM 1110 CD ARG A 90 5.747 -0.739 -5.456 1.00 0.00 C ATOM 1111 NE ARG A 90 4.587 0.156 -5.270 1.00 0.00 N ATOM 1112 CZ ARG A 90 4.181 1.114 -6.086 1.00 0.00 C ATOM 1113 NH1 ARG A 90 4.813 1.396 -7.189 1.00 0.00 N ATOM 1114 NH2 ARG A 90 3.118 1.810 -5.804 1.00 0.00 N ATOM 0 H ARG A 90 8.122 -2.443 -3.367 1.00 0.00 H new ATOM 0 HA ARG A 90 7.107 0.176 -3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.810 -2.471 -2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.970 -0.962 -2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.517 -2.611 -4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.775 -2.463 -4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.668 -0.176 -5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.760 -1.109 -6.481 1.00 0.00 H new ATOM 0 HE ARG A 90 4.040 0.020 -4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.649 0.871 -7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.472 2.142 -7.796 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.594 1.618 -4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.809 2.548 -6.437 1.00 0.00 H new ATOM 1128 N LEU A 91 7.455 -1.421 -0.265 1.00 0.00 N ATOM 1129 CA LEU A 91 7.533 -1.237 1.192 1.00 0.00 C ATOM 1130 C LEU A 91 8.644 -0.244 1.604 1.00 0.00 C ATOM 1131 O LEU A 91 8.451 0.580 2.497 1.00 0.00 O ATOM 1132 CB LEU A 91 7.619 -2.631 1.862 1.00 0.00 C ATOM 1133 CG LEU A 91 9.018 -3.235 2.096 1.00 0.00 C ATOM 1134 CD1 LEU A 91 9.709 -2.669 3.347 1.00 0.00 C ATOM 1135 CD2 LEU A 91 8.899 -4.751 2.244 1.00 0.00 C ATOM 0 H LEU A 91 7.693 -2.365 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 91 6.626 -0.756 1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 91 7.116 -2.570 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 91 7.051 -3.332 1.250 1.00 0.00 H new ATOM 0 HG LEU A 91 9.628 -2.971 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.690 -3.131 3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.826 -1.590 3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 91 9.102 -2.884 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.888 -5.179 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.256 -4.984 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.468 -5.173 1.336 1.00 0.00 H new ATOM 1147 N GLN A 92 9.783 -0.268 0.899 1.00 0.00 N ATOM 1148 CA GLN A 92 10.917 0.653 1.083 1.00 0.00 C ATOM 1149 C GLN A 92 10.592 2.115 0.734 1.00 0.00 C ATOM 1150 O GLN A 92 11.156 3.038 1.327 1.00 0.00 O ATOM 1151 CB GLN A 92 12.106 0.160 0.234 1.00 0.00 C ATOM 1152 CG GLN A 92 12.981 -0.885 0.947 1.00 0.00 C ATOM 1153 CD GLN A 92 13.915 -0.268 1.993 1.00 0.00 C ATOM 1154 OE1 GLN A 92 14.593 0.725 1.765 1.00 0.00 O ATOM 1155 NE2 GLN A 92 14.014 -0.835 3.178 1.00 0.00 N ATOM 0 H GLN A 92 9.948 -0.951 0.160 1.00 0.00 H new ATOM 0 HA GLN A 92 11.164 0.647 2.145 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.726 -0.268 -0.694 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.725 1.014 -0.039 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.338 -1.621 1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.576 -1.419 0.206 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.460 -1.664 3.395 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.644 -0.445 3.879 1.00 0.00 H new ATOM 1164 N GLY A 93 9.659 2.333 -0.191 1.00 0.00 N ATOM 1165 CA GLY A 93 9.195 3.663 -0.600 1.00 0.00 C ATOM 1166 C GLY A 93 8.200 4.256 0.397 1.00 0.00 C ATOM 1167 O GLY A 93 8.232 5.454 0.678 1.00 0.00 O ATOM 0 H GLY A 93 9.193 1.575 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.051 4.331 -0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.728 3.597 -1.583 1.00 0.00 H new ATOM 1171 N LEU A 94 7.360 3.410 0.994 1.00 0.00 N ATOM 1172 CA LEU A 94 6.420 3.798 2.043 1.00 0.00 C ATOM 1173 C LEU A 94 7.111 4.347 3.303 1.00 0.00 C ATOM 1174 O LEU A 94 6.622 5.317 3.872 1.00 0.00 O ATOM 1175 CB LEU A 94 5.514 2.603 2.372 1.00 0.00 C ATOM 1176 CG LEU A 94 4.051 2.794 1.964 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.260 1.578 2.430 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.397 4.029 2.597 1.00 0.00 C ATOM 0 H LEU A 94 7.314 2.419 0.757 1.00 0.00 H new ATOM 0 HA LEU A 94 5.817 4.623 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.906 1.716 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.559 2.412 3.444 1.00 0.00 H new ATOM 0 HG LEU A 94 4.040 2.923 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.214 1.695 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.664 0.680 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.336 1.488 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.362 4.103 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.424 3.939 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.940 4.924 2.294 1.00 0.00 H new ATOM 1190 N GLN A 95 8.255 3.796 3.735 1.00 0.00 N ATOM 1191 CA GLN A 95 9.006 4.361 4.874 1.00 0.00 C ATOM 1192 C GLN A 95 9.495 5.803 4.609 1.00 0.00 C ATOM 1193 O GLN A 95 9.600 6.608 5.539 1.00 0.00 O ATOM 1194 CB GLN A 95 10.190 3.458 5.264 1.00 0.00 C ATOM 1195 CG GLN A 95 9.768 2.301 6.187 1.00 0.00 C ATOM 1196 CD GLN A 95 10.952 1.571 6.831 1.00 0.00 C ATOM 1197 OE1 GLN A 95 12.116 1.748 6.489 1.00 0.00 O ATOM 1198 NE2 GLN A 95 10.705 0.705 7.792 1.00 0.00 N ATOM 0 H GLN A 95 8.680 2.967 3.320 1.00 0.00 H new ATOM 0 HA GLN A 95 8.307 4.405 5.709 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.645 3.051 4.361 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.951 4.058 5.763 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.121 2.691 6.973 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.178 1.586 5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.745 0.539 8.095 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.473 0.200 8.233 1.00 0.00 H new ATOM 1207 N LYS A 96 9.751 6.168 3.342 1.00 0.00 N ATOM 1208 CA LYS A 96 10.203 7.512 2.937 1.00 0.00 C ATOM 1209 C LYS A 96 9.132 8.597 3.131 1.00 0.00 C ATOM 1210 O LYS A 96 9.470 9.737 3.444 1.00 0.00 O ATOM 1211 CB LYS A 96 10.686 7.466 1.474 1.00 0.00 C ATOM 1212 CG LYS A 96 11.586 8.651 1.078 1.00 0.00 C ATOM 1213 CD LYS A 96 13.005 8.636 1.679 1.00 0.00 C ATOM 1214 CE LYS A 96 14.030 7.845 0.848 1.00 0.00 C ATOM 1215 NZ LYS A 96 13.928 6.370 1.024 1.00 0.00 N ATOM 0 H LYS A 96 9.648 5.527 2.555 1.00 0.00 H new ATOM 0 HA LYS A 96 11.028 7.793 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.232 6.537 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.818 7.445 0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.671 8.673 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.093 9.576 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.354 9.663 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.959 8.210 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.895 8.087 -0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.034 8.167 1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.813 5.921 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.762 6.151 2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.137 6.006 0.455 1.00 0.00 H new ATOM 1229 N LEU A 97 7.847 8.246 3.016 1.00 0.00 N ATOM 1230 CA LEU A 97 6.713 9.135 3.275 1.00 0.00 C ATOM 1231 C LEU A 97 6.758 9.691 4.709 1.00 0.00 C ATOM 1232 O LEU A 97 6.648 10.901 4.908 1.00 0.00 O ATOM 1233 CB LEU A 97 5.426 8.346 2.971 1.00 0.00 C ATOM 1234 CG LEU A 97 4.131 8.949 3.514 1.00 0.00 C ATOM 1235 CD1 LEU A 97 3.826 10.369 3.027 1.00 0.00 C ATOM 1236 CD2 LEU A 97 2.979 8.001 3.182 1.00 0.00 C ATOM 0 H LEU A 97 7.561 7.309 2.732 1.00 0.00 H new ATOM 0 HA LEU A 97 6.750 10.013 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.332 8.244 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.534 7.340 3.377 1.00 0.00 H new ATOM 0 HG LEU A 97 4.259 9.055 4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.888 10.711 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.632 11.038 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.740 10.370 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.045 8.416 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.908 7.879 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.161 7.031 3.645 1.00 0.00 H new ATOM 1248 N ILE A 98 6.961 8.816 5.703 1.00 0.00 N ATOM 1249 CA ILE A 98 7.123 9.231 7.105 1.00 0.00 C ATOM 1250 C ILE A 98 8.419 10.029 7.282 1.00 0.00 C ATOM 1251 O ILE A 98 8.396 11.061 7.942 1.00 0.00 O ATOM 1252 CB ILE A 98 7.070 8.045 8.096 1.00 0.00 C ATOM 1253 CG1 ILE A 98 5.887 7.093 7.818 1.00 0.00 C ATOM 1254 CG2 ILE A 98 6.916 8.560 9.536 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.302 5.875 7.001 1.00 0.00 C ATOM 0 H ILE A 98 7.017 7.808 5.561 1.00 0.00 H new ATOM 0 HA ILE A 98 6.273 9.871 7.343 1.00 0.00 H new ATOM 0 HB ILE A 98 8.005 7.500 7.966 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.459 6.764 8.765 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.105 7.635 7.286 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.880 7.714 10.223 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.765 9.196 9.788 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.994 9.135 9.620 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.434 5.237 6.833 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.705 6.200 6.042 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.064 5.315 7.544 1.00 0.00 H new ATOM 1267 N ASN A 99 9.531 9.609 6.664 1.00 0.00 N ATOM 1268 CA ASN A 99 10.830 10.293 6.763 1.00 0.00 C ATOM 1269 C ASN A 99 10.791 11.786 6.363 1.00 0.00 C ATOM 1270 O ASN A 99 11.575 12.579 6.884 1.00 0.00 O ATOM 1271 CB ASN A 99 11.868 9.521 5.931 1.00 0.00 C ATOM 1272 CG ASN A 99 13.283 10.031 6.167 1.00 0.00 C ATOM 1273 OD1 ASN A 99 13.872 9.829 7.219 1.00 0.00 O ATOM 1274 ND2 ASN A 99 13.883 10.690 5.200 1.00 0.00 N ATOM 0 H ASN A 99 9.556 8.777 6.075 1.00 0.00 H new ATOM 0 HA ASN A 99 11.113 10.294 7.816 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.818 8.461 6.182 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.623 9.610 4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.836 11.030 5.329 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.396 10.861 4.320 1.00 0.00 H new ATOM 1281 N ASP A 100 9.880 12.194 5.472 1.00 0.00 N ATOM 1282 CA ASP A 100 9.681 13.603 5.097 1.00 0.00 C ATOM 1283 C ASP A 100 9.070 14.449 6.237 1.00 0.00 C ATOM 1284 O ASP A 100 9.585 15.519 6.565 1.00 0.00 O ATOM 1285 CB ASP A 100 8.806 13.679 3.839 1.00 0.00 C ATOM 1286 CG ASP A 100 8.812 15.098 3.243 1.00 0.00 C ATOM 1287 OD1 ASP A 100 9.881 15.547 2.765 1.00 0.00 O ATOM 1288 OD2 ASP A 100 7.749 15.764 3.228 1.00 0.00 O ATOM 0 H ASP A 100 9.254 11.552 4.986 1.00 0.00 H new ATOM 0 HA ASP A 100 10.663 14.029 4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.169 12.968 3.097 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.784 13.389 4.085 1.00 0.00 H new ATOM 1293 N SER A 101 7.995 13.953 6.863 1.00 0.00 N ATOM 1294 CA SER A 101 7.230 14.623 7.936 1.00 0.00 C ATOM 1295 C SER A 101 7.529 14.045 9.331 1.00 0.00 C ATOM 1296 O SER A 101 6.727 14.170 10.254 1.00 0.00 O ATOM 1297 CB SER A 101 5.720 14.590 7.637 1.00 0.00 C ATOM 1298 OG SER A 101 5.444 15.072 6.328 1.00 0.00 O ATOM 0 H SER A 101 7.614 13.036 6.630 1.00 0.00 H new ATOM 0 HA SER A 101 7.559 15.662 7.953 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.349 13.570 7.737 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.188 15.196 8.370 1.00 0.00 H new ATOM 0 HG SER A 101 4.478 15.038 6.164 1.00 0.00 H new ATOM 1304 N VAL A 102 8.677 13.393 9.517 1.00 0.00 N ATOM 1305 CA VAL A 102 9.051 12.668 10.746 1.00 0.00 C ATOM 1306 C VAL A 102 9.057 13.553 11.995 1.00 0.00 C ATOM 1307 O VAL A 102 8.543 13.159 13.039 1.00 0.00 O ATOM 1308 CB VAL A 102 10.408 11.960 10.555 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.550 12.918 10.197 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.810 11.173 11.801 1.00 0.00 C ATOM 0 H VAL A 102 9.399 13.350 8.798 1.00 0.00 H new ATOM 0 HA VAL A 102 8.278 11.919 10.919 1.00 0.00 H new ATOM 0 HB VAL A 102 10.255 11.283 9.715 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.475 12.353 10.077 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.315 13.432 9.265 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.673 13.651 10.994 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.771 10.687 11.630 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.892 11.852 12.650 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.054 10.417 12.013 1.00 0.00 H new ATOM 1320 N PHE A 103 9.584 14.772 11.878 1.00 0.00 N ATOM 1321 CA PHE A 103 9.605 15.778 12.946 1.00 0.00 C ATOM 1322 C PHE A 103 8.240 16.460 13.151 1.00 0.00 C ATOM 1323 O PHE A 103 8.080 17.263 14.073 1.00 0.00 O ATOM 1324 CB PHE A 103 10.689 16.818 12.621 1.00 0.00 C ATOM 1325 CG PHE A 103 12.052 16.234 12.286 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.645 15.272 13.129 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.718 16.631 11.109 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.883 14.699 12.788 1.00 0.00 C ATOM 1329 CE2 PHE A 103 13.962 16.065 10.775 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.542 15.095 11.611 1.00 0.00 C ATOM 0 H PHE A 103 10.020 15.098 11.016 1.00 0.00 H new ATOM 0 HA PHE A 103 9.833 15.273 13.885 1.00 0.00 H new ATOM 0 HB2 PHE A 103 10.352 17.423 11.779 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.796 17.489 13.473 1.00 0.00 H new ATOM 0 HD1 PHE A 103 12.147 14.974 14.040 1.00 0.00 H new ATOM 0 HD2 PHE A 103 12.272 17.372 10.462 1.00 0.00 H new ATOM 0 HE1 PHE A 103 14.328 13.954 13.431 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.472 16.376 9.875 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.493 14.655 11.349 1.00 0.00 H new ATOM 1340 N PHE A 104 7.259 16.141 12.300 1.00 0.00 N ATOM 1341 CA PHE A 104 5.894 16.679 12.362 1.00 0.00 C ATOM 1342 C PHE A 104 4.929 15.667 12.999 1.00 0.00 C ATOM 1343 O PHE A 104 4.131 16.025 13.868 1.00 0.00 O ATOM 1344 CB PHE A 104 5.452 17.115 10.955 1.00 0.00 C ATOM 1345 CG PHE A 104 3.954 17.181 10.762 1.00 0.00 C ATOM 1346 CD1 PHE A 104 3.244 18.339 11.121 1.00 0.00 C ATOM 1347 CD2 PHE A 104 3.267 16.053 10.274 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.847 18.367 10.992 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.870 16.083 10.141 1.00 0.00 C ATOM 1350 CZ PHE A 104 1.163 17.243 10.497 1.00 0.00 C ATOM 0 H PHE A 104 7.395 15.486 11.530 1.00 0.00 H new ATOM 0 HA PHE A 104 5.877 17.559 13.006 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.877 18.096 10.742 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.870 16.421 10.225 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.771 19.204 11.495 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.816 15.164 10.002 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.297 19.253 11.273 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.342 15.219 9.767 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.089 17.272 10.390 1.00 0.00 H new ATOM 1360 N LEU A 105 5.016 14.399 12.590 1.00 0.00 N ATOM 1361 CA LEU A 105 4.250 13.294 13.155 1.00 0.00 C ATOM 1362 C LEU A 105 4.627 13.068 14.628 1.00 0.00 C ATOM 1363 O LEU A 105 5.807 12.973 14.976 1.00 0.00 O ATOM 1364 CB LEU A 105 4.493 12.035 12.303 1.00 0.00 C ATOM 1365 CG LEU A 105 3.982 12.172 10.854 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.398 10.948 10.055 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.467 12.338 10.768 1.00 0.00 C ATOM 0 H LEU A 105 5.639 14.109 11.836 1.00 0.00 H new ATOM 0 HA LEU A 105 3.186 13.531 13.135 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.561 11.817 12.285 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.002 11.184 12.775 1.00 0.00 H new ATOM 0 HG LEU A 105 4.429 13.077 10.442 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.038 11.043 9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.485 10.868 10.052 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.970 10.054 10.509 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.170 12.429 9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.980 11.468 11.209 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.168 13.235 11.310 1.00 0.00 H new ATOM 1379 N ALA A 106 3.616 12.990 15.497 1.00 0.00 N ATOM 1380 CA ALA A 106 3.793 12.677 16.916 1.00 0.00 C ATOM 1381 C ALA A 106 4.452 11.298 17.110 1.00 0.00 C ATOM 1382 O ALA A 106 4.347 10.435 16.236 1.00 0.00 O ATOM 1383 CB ALA A 106 2.413 12.725 17.591 1.00 0.00 C ATOM 0 H ALA A 106 2.643 13.144 15.232 1.00 0.00 H new ATOM 0 HA ALA A 106 4.459 13.410 17.372 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.518 12.495 18.651 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.987 13.722 17.477 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.754 11.993 17.124 1.00 0.00 H new ATOM 1389 N ALA A 107 5.045 11.043 18.283 1.00 0.00 N ATOM 1390 CA ALA A 107 5.618 9.735 18.636 1.00 0.00 C ATOM 1391 C ALA A 107 4.626 8.570 18.437 1.00 0.00 C ATOM 1392 O ALA A 107 5.040 7.466 18.095 1.00 0.00 O ATOM 1393 CB ALA A 107 6.182 9.793 20.064 1.00 0.00 C ATOM 0 H ALA A 107 5.142 11.742 19.020 1.00 0.00 H new ATOM 0 HA ALA A 107 6.436 9.524 17.947 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.607 8.824 20.327 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.958 10.556 20.118 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.382 10.039 20.762 1.00 0.00 H new ATOM 1399 N TYR A 108 3.321 8.814 18.596 1.00 0.00 N ATOM 1400 CA TYR A 108 2.255 7.843 18.342 1.00 0.00 C ATOM 1401 C TYR A 108 2.203 7.462 16.850 1.00 0.00 C ATOM 1402 O TYR A 108 2.346 6.293 16.492 1.00 0.00 O ATOM 1403 CB TYR A 108 0.929 8.447 18.828 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.323 7.719 18.372 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.658 6.463 18.917 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.155 8.306 17.398 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -1.826 5.798 18.495 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.322 7.645 16.972 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.665 6.390 17.523 1.00 0.00 C ATOM 1410 OH TYR A 108 -3.805 5.765 17.118 1.00 0.00 O ATOM 0 H TYR A 108 2.969 9.717 18.914 1.00 0.00 H new ATOM 0 HA TYR A 108 2.448 6.920 18.888 1.00 0.00 H new ATOM 0 HB2 TYR A 108 0.938 8.472 19.918 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.873 9.480 18.486 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.018 6.010 19.659 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.896 9.266 16.977 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.081 4.836 18.914 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.956 8.097 16.224 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.259 6.316 16.446 1.00 0.00 H new ATOM 1420 N ASP A 109 2.018 8.449 15.968 1.00 0.00 N ATOM 1421 CA ASP A 109 1.806 8.254 14.526 1.00 0.00 C ATOM 1422 C ASP A 109 3.089 7.855 13.782 1.00 0.00 C ATOM 1423 O ASP A 109 3.064 7.018 12.879 1.00 0.00 O ATOM 1424 CB ASP A 109 1.227 9.539 13.921 1.00 0.00 C ATOM 1425 CG ASP A 109 0.079 9.289 12.923 1.00 0.00 C ATOM 1426 OD1 ASP A 109 0.014 8.206 12.295 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -0.778 10.193 12.781 1.00 0.00 O ATOM 0 H ASP A 109 2.011 9.432 16.242 1.00 0.00 H new ATOM 0 HA ASP A 109 1.106 7.427 14.408 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.865 10.178 14.726 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.024 10.084 13.416 1.00 0.00 H new ATOM 1432 N LEU A 110 4.228 8.432 14.180 1.00 0.00 N ATOM 1433 CA LEU A 110 5.555 8.099 13.662 1.00 0.00 C ATOM 1434 C LEU A 110 5.835 6.609 13.894 1.00 0.00 C ATOM 1435 O LEU A 110 6.148 5.875 12.954 1.00 0.00 O ATOM 1436 CB LEU A 110 6.588 9.015 14.349 1.00 0.00 C ATOM 1437 CG LEU A 110 8.070 8.651 14.136 1.00 0.00 C ATOM 1438 CD1 LEU A 110 8.432 8.476 12.665 1.00 0.00 C ATOM 1439 CD2 LEU A 110 8.940 9.759 14.723 1.00 0.00 C ATOM 0 H LEU A 110 4.250 9.163 14.891 1.00 0.00 H new ATOM 0 HA LEU A 110 5.617 8.268 12.587 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.431 10.034 13.995 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.386 9.016 15.420 1.00 0.00 H new ATOM 0 HG LEU A 110 8.244 7.697 14.633 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.488 8.221 12.578 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.829 7.677 12.234 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.238 9.405 12.130 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.992 9.511 14.578 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.716 10.701 14.222 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.734 9.857 15.789 1.00 0.00 H new ATOM 1451 N ARG A 111 5.674 6.148 15.143 1.00 0.00 N ATOM 1452 CA ARG A 111 5.887 4.741 15.509 1.00 0.00 C ATOM 1453 C ARG A 111 4.911 3.798 14.811 1.00 0.00 C ATOM 1454 O ARG A 111 5.314 2.721 14.378 1.00 0.00 O ATOM 1455 CB ARG A 111 5.857 4.604 17.043 1.00 0.00 C ATOM 1456 CG ARG A 111 6.575 3.372 17.611 1.00 0.00 C ATOM 1457 CD ARG A 111 8.096 3.488 17.431 1.00 0.00 C ATOM 1458 NE ARG A 111 8.831 2.564 18.317 1.00 0.00 N ATOM 1459 CZ ARG A 111 10.143 2.450 18.424 1.00 0.00 C ATOM 1460 NH1 ARG A 111 10.960 3.129 17.669 1.00 0.00 N ATOM 1461 NH2 ARG A 111 10.668 1.645 19.303 1.00 0.00 N ATOM 0 H ARG A 111 5.393 6.739 15.926 1.00 0.00 H new ATOM 0 HA ARG A 111 6.871 4.434 15.155 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.305 5.497 17.479 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.817 4.578 17.368 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.338 3.265 18.669 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.214 2.474 17.111 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.355 3.278 16.393 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.408 4.512 17.636 1.00 0.00 H new ATOM 0 HE ARG A 111 8.269 1.951 18.907 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.592 3.773 16.969 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.968 3.017 17.778 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.065 1.096 19.916 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.682 1.563 19.378 1.00 0.00 H new ATOM 1475 N GLN A 112 3.672 4.247 14.632 1.00 0.00 N ATOM 1476 CA GLN A 112 2.604 3.547 13.904 1.00 0.00 C ATOM 1477 C GLN A 112 2.960 3.343 12.426 1.00 0.00 C ATOM 1478 O GLN A 112 3.002 2.208 11.965 1.00 0.00 O ATOM 1479 CB GLN A 112 1.268 4.297 14.037 1.00 0.00 C ATOM 1480 CG GLN A 112 0.462 3.894 15.284 1.00 0.00 C ATOM 1481 CD GLN A 112 -0.337 2.597 15.112 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -0.794 2.233 14.035 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -0.579 1.858 16.174 1.00 0.00 N ATOM 0 H GLN A 112 3.366 5.146 15.004 1.00 0.00 H new ATOM 0 HA GLN A 112 2.497 2.561 14.357 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.463 5.369 14.071 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.665 4.111 13.148 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.145 3.780 16.126 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.224 4.702 15.538 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.211 2.137 17.084 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.134 1.007 16.087 1.00 0.00 H new ATOM 1492 N GLY A 113 3.240 4.413 11.675 1.00 0.00 N ATOM 1493 CA GLY A 113 3.591 4.311 10.256 1.00 0.00 C ATOM 1494 C GLY A 113 4.857 3.490 10.001 1.00 0.00 C ATOM 1495 O GLY A 113 4.922 2.743 9.032 1.00 0.00 O ATOM 0 H GLY A 113 3.230 5.369 12.032 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.759 3.860 9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.729 5.313 9.850 1.00 0.00 H new ATOM 1499 N GLN A 114 5.853 3.580 10.881 1.00 0.00 N ATOM 1500 CA GLN A 114 7.069 2.765 10.803 1.00 0.00 C ATOM 1501 C GLN A 114 6.780 1.269 11.034 1.00 0.00 C ATOM 1502 O GLN A 114 7.128 0.439 10.193 1.00 0.00 O ATOM 1503 CB GLN A 114 8.092 3.311 11.811 1.00 0.00 C ATOM 1504 CG GLN A 114 8.686 4.664 11.383 1.00 0.00 C ATOM 1505 CD GLN A 114 9.908 4.521 10.477 1.00 0.00 C ATOM 1506 OE1 GLN A 114 9.908 3.829 9.467 1.00 0.00 O ATOM 1507 NE2 GLN A 114 11.002 5.176 10.805 1.00 0.00 N ATOM 0 H GLN A 114 5.841 4.223 11.673 1.00 0.00 H new ATOM 0 HA GLN A 114 7.481 2.835 9.796 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.613 3.421 12.784 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.898 2.587 11.932 1.00 0.00 H new ATOM 0 HG2 GLN A 114 7.922 5.242 10.864 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.964 5.230 12.272 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.017 5.756 11.644 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.835 5.103 10.220 1.00 0.00 H new ATOM 1516 N GLU A 115 6.137 0.902 12.151 1.00 0.00 N ATOM 1517 CA GLU A 115 5.844 -0.503 12.485 1.00 0.00 C ATOM 1518 C GLU A 115 4.792 -1.164 11.582 1.00 0.00 C ATOM 1519 O GLU A 115 4.815 -2.378 11.365 1.00 0.00 O ATOM 1520 CB GLU A 115 5.471 -0.630 13.969 1.00 0.00 C ATOM 1521 CG GLU A 115 4.037 -0.199 14.308 1.00 0.00 C ATOM 1522 CD GLU A 115 3.754 -0.052 15.820 1.00 0.00 C ATOM 1523 OE1 GLU A 115 4.650 -0.280 16.670 1.00 0.00 O ATOM 1524 OE2 GLU A 115 2.597 0.280 16.174 1.00 0.00 O ATOM 0 H GLU A 115 5.805 1.568 12.849 1.00 0.00 H new ATOM 0 HA GLU A 115 6.762 -1.058 12.294 1.00 0.00 H new ATOM 0 HB2 GLU A 115 5.607 -1.667 14.277 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.165 -0.030 14.557 1.00 0.00 H new ATOM 0 HG2 GLU A 115 3.832 0.753 13.818 1.00 0.00 H new ATOM 0 HG3 GLU A 115 3.343 -0.929 13.890 1.00 0.00 H new ATOM 1531 N ALA A 116 3.899 -0.359 11.012 1.00 0.00 N ATOM 1532 CA ALA A 116 2.889 -0.787 10.047 1.00 0.00 C ATOM 1533 C ALA A 116 3.525 -1.466 8.824 1.00 0.00 C ATOM 1534 O ALA A 116 3.048 -2.522 8.413 1.00 0.00 O ATOM 1535 CB ALA A 116 2.019 0.406 9.650 1.00 0.00 C ATOM 0 H ALA A 116 3.857 0.640 11.215 1.00 0.00 H new ATOM 0 HA ALA A 116 2.252 -1.537 10.516 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.267 0.084 8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.526 0.807 10.535 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.644 1.178 9.201 1.00 0.00 H new ATOM 1541 N LEU A 117 4.618 -0.922 8.268 1.00 0.00 N ATOM 1542 CA LEU A 117 5.334 -1.585 7.165 1.00 0.00 C ATOM 1543 C LEU A 117 5.842 -2.978 7.553 1.00 0.00 C ATOM 1544 O LEU A 117 5.716 -3.921 6.769 1.00 0.00 O ATOM 1545 CB LEU A 117 6.518 -0.730 6.667 1.00 0.00 C ATOM 1546 CG LEU A 117 6.194 0.222 5.508 1.00 0.00 C ATOM 1547 CD1 LEU A 117 5.545 -0.510 4.331 1.00 0.00 C ATOM 1548 CD2 LEU A 117 5.325 1.385 5.964 1.00 0.00 C ATOM 0 H LEU A 117 5.023 -0.033 8.560 1.00 0.00 H new ATOM 0 HA LEU A 117 4.608 -1.698 6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.898 -0.143 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.321 -1.397 6.354 1.00 0.00 H new ATOM 0 HG LEU A 117 7.145 0.627 5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.332 0.201 3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.224 -1.278 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.616 -0.975 4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.116 2.038 5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.387 1.002 6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.848 1.949 6.736 1.00 0.00 H new ATOM 1560 N ALA A 118 6.376 -3.127 8.767 1.00 0.00 N ATOM 1561 CA ALA A 118 6.853 -4.406 9.296 1.00 0.00 C ATOM 1562 C ALA A 118 5.734 -5.465 9.343 1.00 0.00 C ATOM 1563 O ALA A 118 5.974 -6.644 9.071 1.00 0.00 O ATOM 1564 CB ALA A 118 7.430 -4.187 10.701 1.00 0.00 C ATOM 0 H ALA A 118 6.491 -2.351 9.419 1.00 0.00 H new ATOM 0 HA ALA A 118 7.626 -4.783 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.787 -5.137 11.100 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.259 -3.481 10.648 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.655 -3.787 11.355 1.00 0.00 H new ATOM 1570 N ARG A 119 4.497 -5.037 9.644 1.00 0.00 N ATOM 1571 CA ARG A 119 3.300 -5.890 9.680 1.00 0.00 C ATOM 1572 C ARG A 119 3.045 -6.571 8.326 1.00 0.00 C ATOM 1573 O ARG A 119 2.787 -7.773 8.272 1.00 0.00 O ATOM 1574 CB ARG A 119 2.079 -5.051 10.118 1.00 0.00 C ATOM 1575 CG ARG A 119 0.945 -5.876 10.745 1.00 0.00 C ATOM 1576 CD ARG A 119 1.190 -6.141 12.237 1.00 0.00 C ATOM 1577 NE ARG A 119 0.052 -6.845 12.862 1.00 0.00 N ATOM 1578 CZ ARG A 119 -0.204 -8.141 12.859 1.00 0.00 C ATOM 1579 NH1 ARG A 119 0.568 -9.002 12.257 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -1.258 -8.606 13.466 1.00 0.00 N ATOM 0 H ARG A 119 4.298 -4.064 9.875 1.00 0.00 H new ATOM 0 HA ARG A 119 3.466 -6.685 10.407 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.407 -4.299 10.836 1.00 0.00 H new ATOM 0 HB3 ARG A 119 1.689 -4.516 9.252 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -0.000 -5.348 10.620 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.852 -6.825 10.218 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.096 -6.736 12.357 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.359 -5.195 12.751 1.00 0.00 H new ATOM 0 HE ARG A 119 -0.619 -6.258 13.357 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.403 -8.682 11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.337 -9.995 12.277 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -1.892 -7.968 13.948 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -1.450 -9.608 13.460 1.00 0.00 H new ATOM 1594 N LEU A 120 3.154 -5.808 7.232 1.00 0.00 N ATOM 1595 CA LEU A 120 3.022 -6.276 5.839 1.00 0.00 C ATOM 1596 C LEU A 120 4.263 -7.057 5.369 1.00 0.00 C ATOM 1597 O LEU A 120 4.146 -7.964 4.547 1.00 0.00 O ATOM 1598 CB LEU A 120 2.796 -5.088 4.885 1.00 0.00 C ATOM 1599 CG LEU A 120 1.888 -3.952 5.386 1.00 0.00 C ATOM 1600 CD1 LEU A 120 1.834 -2.845 4.332 1.00 0.00 C ATOM 1601 CD2 LEU A 120 0.471 -4.390 5.768 1.00 0.00 C ATOM 0 H LEU A 120 3.344 -4.808 7.291 1.00 0.00 H new ATOM 0 HA LEU A 120 2.161 -6.944 5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.768 -4.661 4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.374 -5.474 3.957 1.00 0.00 H new ATOM 0 HG LEU A 120 2.335 -3.589 6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.191 -2.038 4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.838 -2.459 4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.434 -3.248 3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.098 -3.525 6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.021 -4.828 4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.522 -5.129 6.567 1.00 0.00 H new ATOM 1613 N GLN A 121 5.450 -6.736 5.898 1.00 0.00 N ATOM 1614 CA GLN A 121 6.713 -7.421 5.592 1.00 0.00 C ATOM 1615 C GLN A 121 6.626 -8.934 5.867 1.00 0.00 C ATOM 1616 O GLN A 121 7.140 -9.743 5.093 1.00 0.00 O ATOM 1617 CB GLN A 121 7.860 -6.788 6.400 1.00 0.00 C ATOM 1618 CG GLN A 121 9.180 -6.788 5.620 1.00 0.00 C ATOM 1619 CD GLN A 121 10.410 -6.968 6.509 1.00 0.00 C ATOM 1620 OE1 GLN A 121 10.586 -7.975 7.183 1.00 0.00 O ATOM 1621 NE2 GLN A 121 11.326 -6.022 6.527 1.00 0.00 N ATOM 0 H GLN A 121 5.562 -5.974 6.567 1.00 0.00 H new ATOM 0 HA GLN A 121 6.913 -7.299 4.527 1.00 0.00 H new ATOM 0 HB2 GLN A 121 7.595 -5.764 6.665 1.00 0.00 H new ATOM 0 HB3 GLN A 121 7.991 -7.335 7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.156 -7.587 4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.270 -5.849 5.073 1.00 0.00 H new ATOM 0 HE21 GLN A 121 11.197 -5.176 5.972 1.00 0.00 H new ATOM 0 HE22 GLN A 121 12.165 -6.135 7.096 1.00 0.00 H new ATOM 1630 N ALA A 122 5.932 -9.321 6.943 1.00 0.00 N ATOM 1631 CA ALA A 122 5.666 -10.718 7.285 1.00 0.00 C ATOM 1632 C ALA A 122 4.892 -11.434 6.164 1.00 0.00 C ATOM 1633 O ALA A 122 5.272 -12.535 5.774 1.00 0.00 O ATOM 1634 CB ALA A 122 4.917 -10.786 8.626 1.00 0.00 C ATOM 0 H ALA A 122 5.534 -8.660 7.610 1.00 0.00 H new ATOM 0 HA ALA A 122 6.616 -11.242 7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.719 -11.827 8.880 1.00 0.00 H new ATOM 0 HB2 ALA A 122 5.527 -10.332 9.407 1.00 0.00 H new ATOM 0 HB3 ALA A 122 3.973 -10.247 8.543 1.00 0.00 H new ATOM 1640 N ALA A 123 3.859 -10.801 5.592 1.00 0.00 N ATOM 1641 CA ALA A 123 3.089 -11.356 4.474 1.00 0.00 C ATOM 1642 C ALA A 123 3.977 -11.709 3.260 1.00 0.00 C ATOM 1643 O ALA A 123 3.686 -12.671 2.547 1.00 0.00 O ATOM 1644 CB ALA A 123 1.952 -10.394 4.123 1.00 0.00 C ATOM 0 H ALA A 123 3.533 -9.883 5.895 1.00 0.00 H new ATOM 0 HA ALA A 123 2.654 -12.306 4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.375 -10.800 3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.302 -10.268 4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.368 -9.428 3.838 1.00 0.00 H new ATOM 1650 N LEU A 124 5.069 -10.966 3.028 1.00 0.00 N ATOM 1651 CA LEU A 124 6.040 -11.271 1.973 1.00 0.00 C ATOM 1652 C LEU A 124 6.922 -12.454 2.389 1.00 0.00 C ATOM 1653 O LEU A 124 7.032 -13.427 1.643 1.00 0.00 O ATOM 1654 CB LEU A 124 6.933 -10.055 1.652 1.00 0.00 C ATOM 1655 CG LEU A 124 6.399 -9.114 0.564 1.00 0.00 C ATOM 1656 CD1 LEU A 124 7.330 -7.901 0.449 1.00 0.00 C ATOM 1657 CD2 LEU A 124 6.335 -9.810 -0.794 1.00 0.00 C ATOM 0 H LEU A 124 5.302 -10.134 3.570 1.00 0.00 H new ATOM 0 HA LEU A 124 5.477 -11.529 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 124 7.077 -9.480 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.914 -10.417 1.345 1.00 0.00 H new ATOM 0 HG LEU A 124 5.392 -8.807 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 124 6.957 -7.228 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.363 -7.376 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.333 -8.236 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 124 5.952 -9.115 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.334 -10.139 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 124 5.673 -10.674 -0.729 1.00 0.00 H new ATOM 1669 N ALA A 125 7.538 -12.394 3.575 1.00 0.00 N ATOM 1670 CA ALA A 125 8.434 -13.440 4.075 1.00 0.00 C ATOM 1671 C ALA A 125 7.743 -14.822 4.165 1.00 0.00 C ATOM 1672 O ALA A 125 8.355 -15.855 3.887 1.00 0.00 O ATOM 1673 CB ALA A 125 9.017 -12.994 5.426 1.00 0.00 C ATOM 0 H ALA A 125 7.427 -11.611 4.219 1.00 0.00 H new ATOM 0 HA ALA A 125 9.247 -13.573 3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.686 -13.766 5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 125 9.573 -12.066 5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.206 -12.833 6.137 1.00 0.00 H new ATOM 1679 N GLU A 126 6.446 -14.840 4.494 1.00 0.00 N ATOM 1680 CA GLU A 126 5.565 -16.019 4.540 1.00 0.00 C ATOM 1681 C GLU A 126 5.359 -16.681 3.169 1.00 0.00 C ATOM 1682 O GLU A 126 5.043 -17.869 3.096 1.00 0.00 O ATOM 1683 CB GLU A 126 4.191 -15.610 5.101 1.00 0.00 C ATOM 1684 CG GLU A 126 4.181 -15.381 6.622 1.00 0.00 C ATOM 1685 CD GLU A 126 4.164 -16.673 7.468 1.00 0.00 C ATOM 1686 OE1 GLU A 126 4.276 -17.796 6.919 1.00 0.00 O ATOM 1687 OE2 GLU A 126 4.036 -16.565 8.712 1.00 0.00 O ATOM 0 H GLU A 126 5.953 -13.985 4.750 1.00 0.00 H new ATOM 0 HA GLU A 126 6.057 -16.749 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 126 3.864 -14.697 4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 126 3.464 -16.384 4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.060 -14.796 6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 126 3.308 -14.782 6.880 1.00 0.00 H new ATOM 1694 N ARG A 127 5.488 -15.925 2.073 1.00 0.00 N ATOM 1695 CA ARG A 127 5.425 -16.440 0.691 1.00 0.00 C ATOM 1696 C ARG A 127 6.832 -16.775 0.195 1.00 0.00 C ATOM 1697 O ARG A 127 7.036 -17.833 -0.398 1.00 0.00 O ATOM 1698 CB ARG A 127 4.704 -15.426 -0.221 1.00 0.00 C ATOM 1699 CG ARG A 127 3.171 -15.585 -0.269 1.00 0.00 C ATOM 1700 CD ARG A 127 2.445 -15.587 1.089 1.00 0.00 C ATOM 1701 NE ARG A 127 2.450 -16.917 1.735 1.00 0.00 N ATOM 1702 CZ ARG A 127 1.637 -17.935 1.521 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.671 -17.882 0.649 1.00 0.00 N ATOM 1704 NH2 ARG A 127 1.796 -19.041 2.189 1.00 0.00 N ATOM 0 H ARG A 127 5.642 -14.918 2.117 1.00 0.00 H new ATOM 0 HA ARG A 127 4.844 -17.362 0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.941 -14.418 0.119 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.098 -15.522 -1.233 1.00 0.00 H new ATOM 0 HG2 ARG A 127 2.762 -14.777 -0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 127 2.939 -16.518 -0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 127 2.920 -14.864 1.752 1.00 0.00 H new ATOM 0 HD3 ARG A 127 1.415 -15.260 0.947 1.00 0.00 H new ATOM 0 HE ARG A 127 3.175 -17.067 2.436 1.00 0.00 H new ATOM 0 HH11 ARG A 127 0.522 -17.033 0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.063 -18.689 0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 127 2.547 -19.119 2.875 1.00 0.00 H new ATOM 0 HH22 ARG A 127 1.170 -19.830 2.026 1.00 0.00 H new ATOM 1718 N ARG A 128 7.826 -15.940 0.522 1.00 0.00 N ATOM 1719 CA ARG A 128 9.254 -16.110 0.192 1.00 0.00 C ATOM 1720 C ARG A 128 9.793 -17.475 0.588 1.00 0.00 C ATOM 1721 O ARG A 128 10.398 -18.140 -0.248 1.00 0.00 O ATOM 1722 CB ARG A 128 10.064 -14.962 0.820 1.00 0.00 C ATOM 1723 CG ARG A 128 11.542 -14.929 0.387 1.00 0.00 C ATOM 1724 CD ARG A 128 12.448 -15.757 1.316 1.00 0.00 C ATOM 1725 NE ARG A 128 13.879 -15.497 1.067 1.00 0.00 N ATOM 1726 CZ ARG A 128 14.584 -14.453 1.462 1.00 0.00 C ATOM 1727 NH1 ARG A 128 14.057 -13.473 2.142 1.00 0.00 N ATOM 1728 NH2 ARG A 128 15.850 -14.370 1.172 1.00 0.00 N ATOM 0 H ARG A 128 7.652 -15.085 1.050 1.00 0.00 H new ATOM 0 HA ARG A 128 9.360 -16.065 -0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.597 -14.014 0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 128 10.016 -15.048 1.906 1.00 0.00 H new ATOM 0 HG2 ARG A 128 11.627 -15.309 -0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.890 -13.896 0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.212 -15.524 2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.242 -16.818 1.173 1.00 0.00 H new ATOM 0 HE ARG A 128 14.380 -16.204 0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.067 -13.496 2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.635 -12.683 2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 128 16.301 -15.113 0.638 1.00 0.00 H new ATOM 0 HH22 ARG A 128 16.392 -13.562 1.479 1.00 0.00 H new