USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 ASN : amide:sc= -0.0795 X(o=-0.058,f=-0.19) USER MOD Set 1.2: A 99 THR OG1 : rot 85:sc= 0.0217 USER MOD Set 2.1: A 56 GLN : amide:sc= -0.767 K(o=-0.77,f=-1.4!) USER MOD Set 2.2: A 59 GLN : amide:sc= 0 X(o=-0.77,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00689 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.752 F(o=-1.8,f=-0.75) USER MOD Single : A 68 SER OG : rot 180:sc= -0.565 USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 78 MET CE :methyl 162:sc= -0.111 (180deg=-0.844) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc=-0.00727 X(o=-0.0073,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0323 F(o=-2.6!,f=-0.032) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.01 F(o=-1.1,f=-0.01) USER MOD Single : A 102 LYS NZ :NH3+ 169:sc= -0.796 (180deg=-1.09) USER MOD Single : A 103 THR OG1 : rot -0:sc= 1.06 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 106 THR OG1 : rot 49:sc= 0.366 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 24.950 41.044 -20.037 1.00 65.21 N ATOM 660 CA GLU A 46 25.428 41.660 -18.803 1.00 41.54 C ATOM 661 C GLU A 46 26.903 41.336 -18.590 1.00 5.12 C ATOM 662 O GLU A 46 27.505 41.735 -17.592 1.00 43.23 O ATOM 663 CB GLU A 46 24.600 41.187 -17.604 1.00 55.55 C ATOM 664 CG GLU A 46 24.613 39.681 -17.406 1.00 14.53 C ATOM 665 CD GLU A 46 23.725 39.233 -16.263 1.00 0.14 C ATOM 666 OE1 GLU A 46 22.508 39.501 -16.310 1.00 65.32 O ATOM 667 OE2 GLU A 46 24.241 38.598 -15.319 1.00 5.55 O1- ATOM 0 HA GLU A 46 25.314 42.740 -18.891 1.00 41.54 H new ATOM 0 HB2 GLU A 46 24.979 41.666 -16.701 1.00 55.55 H new ATOM 0 HB3 GLU A 46 23.570 41.518 -17.732 1.00 55.55 H new ATOM 0 HG2 GLU A 46 24.287 39.195 -18.326 1.00 14.53 H new ATOM 0 HG3 GLU A 46 25.635 39.352 -17.217 1.00 14.53 H new ATOM 674 N THR A 47 27.468 40.596 -19.531 1.00 53.34 N ATOM 675 CA THR A 47 28.883 40.283 -19.533 1.00 11.21 C ATOM 676 C THR A 47 29.606 41.056 -20.630 1.00 2.33 C ATOM 677 O THR A 47 29.725 40.585 -21.764 1.00 31.14 O ATOM 678 CB THR A 47 29.121 38.773 -19.714 1.00 14.13 C ATOM 679 OG1 THR A 47 28.042 38.194 -20.456 1.00 60.32 O ATOM 680 CG2 THR A 47 29.250 38.085 -18.368 1.00 31.14 C ATOM 0 H THR A 47 26.954 40.196 -20.316 1.00 53.34 H new ATOM 0 HA THR A 47 29.285 40.582 -18.565 1.00 11.21 H new ATOM 0 HB THR A 47 30.052 38.634 -20.264 1.00 14.13 H new ATOM 0 HG1 THR A 47 28.201 37.234 -20.569 1.00 60.32 H new ATOM 0 HG21 THR A 47 29.418 37.019 -18.519 1.00 31.14 H new ATOM 0 HG22 THR A 47 30.091 38.511 -17.821 1.00 31.14 H new ATOM 0 HG23 THR A 47 28.334 38.231 -17.796 1.00 31.14 H new ATOM 688 N PRO A 48 30.058 42.285 -20.329 1.00 63.35 N ATOM 689 CA PRO A 48 30.753 43.115 -21.307 1.00 21.13 C ATOM 690 C PRO A 48 32.139 42.562 -21.632 1.00 23.22 C ATOM 691 O PRO A 48 33.144 42.981 -21.059 1.00 30.10 O ATOM 692 CB PRO A 48 30.858 44.475 -20.614 1.00 72.10 C ATOM 693 CG PRO A 48 30.803 44.170 -19.156 1.00 2.42 C ATOM 694 CD PRO A 48 29.942 42.944 -19.014 1.00 3.12 C ATOM 0 HA PRO A 48 30.229 43.159 -22.262 1.00 21.13 H new ATOM 0 HB2 PRO A 48 31.787 44.981 -20.877 1.00 72.10 H new ATOM 0 HB3 PRO A 48 30.041 45.133 -20.911 1.00 72.10 H new ATOM 0 HG2 PRO A 48 31.802 43.992 -18.758 1.00 2.42 H new ATOM 0 HG3 PRO A 48 30.382 45.007 -18.599 1.00 2.42 H new ATOM 0 HD2 PRO A 48 30.293 42.298 -18.209 1.00 3.12 H new ATOM 0 HD3 PRO A 48 28.908 43.204 -18.786 1.00 3.12 H new ATOM 702 N SER A 49 32.177 41.596 -22.538 1.00 1.52 N ATOM 703 CA SER A 49 33.426 40.978 -22.945 1.00 71.45 C ATOM 704 C SER A 49 33.698 41.230 -24.426 1.00 5.40 C ATOM 705 O SER A 49 34.785 40.941 -24.921 1.00 55.33 O ATOM 706 CB SER A 49 33.367 39.475 -22.676 1.00 4.01 C ATOM 707 OG SER A 49 33.004 39.206 -21.330 1.00 52.25 O ATOM 0 H SER A 49 31.351 41.223 -23.006 1.00 1.52 H new ATOM 0 HA SER A 49 34.237 41.420 -22.367 1.00 71.45 H new ATOM 0 HB2 SER A 49 32.646 39.011 -23.349 1.00 4.01 H new ATOM 0 HB3 SER A 49 34.337 39.027 -22.890 1.00 4.01 H new ATOM 0 HG SER A 49 32.972 38.237 -21.187 1.00 52.25 H new ATOM 713 N ALA A 50 32.709 41.782 -25.126 1.00 4.34 N ATOM 714 CA ALA A 50 32.829 42.001 -26.565 1.00 71.23 C ATOM 715 C ALA A 50 31.751 42.951 -27.085 1.00 52.43 C ATOM 716 O ALA A 50 31.982 43.711 -28.024 1.00 63.35 O ATOM 717 CB ALA A 50 32.757 40.673 -27.301 1.00 52.42 C ATOM 0 H ALA A 50 31.822 42.084 -24.723 1.00 4.34 H new ATOM 0 HA ALA A 50 33.797 42.467 -26.751 1.00 71.23 H new ATOM 0 HB1 ALA A 50 32.847 40.846 -28.373 1.00 52.42 H new ATOM 0 HB2 ALA A 50 33.570 40.028 -26.968 1.00 52.42 H new ATOM 0 HB3 ALA A 50 31.802 40.192 -27.090 1.00 52.42 H new ATOM 723 N LEU A 51 30.574 42.909 -26.473 1.00 14.24 N ATOM 724 CA LEU A 51 29.454 43.739 -26.919 1.00 65.24 C ATOM 725 C LEU A 51 29.459 45.111 -26.245 1.00 54.11 C ATOM 726 O LEU A 51 28.720 46.007 -26.654 1.00 73.42 O ATOM 727 CB LEU A 51 28.128 43.009 -26.652 1.00 34.13 C ATOM 728 CG LEU A 51 27.922 42.500 -25.219 1.00 14.14 C ATOM 729 CD1 LEU A 51 27.416 43.608 -24.308 1.00 42.24 C ATOM 730 CD2 LEU A 51 26.961 41.322 -25.215 1.00 32.32 C ATOM 0 H LEU A 51 30.367 42.314 -25.671 1.00 14.24 H new ATOM 0 HA LEU A 51 29.564 43.907 -27.990 1.00 65.24 H new ATOM 0 HB2 LEU A 51 27.308 43.683 -26.899 1.00 34.13 H new ATOM 0 HB3 LEU A 51 28.059 42.160 -27.332 1.00 34.13 H new ATOM 0 HG LEU A 51 28.886 42.169 -24.833 1.00 14.14 H new ATOM 0 HD11 LEU A 51 27.280 43.216 -23.300 1.00 42.24 H new ATOM 0 HD12 LEU A 51 28.142 44.421 -24.287 1.00 42.24 H new ATOM 0 HD13 LEU A 51 26.463 43.982 -24.684 1.00 42.24 H new ATOM 0 HD21 LEU A 51 26.822 40.969 -24.193 1.00 32.32 H new ATOM 0 HD22 LEU A 51 26.000 41.635 -25.624 1.00 32.32 H new ATOM 0 HD23 LEU A 51 27.370 40.516 -25.825 1.00 32.32 H new ATOM 742 N ASP A 52 30.314 45.270 -25.236 1.00 2.23 N ATOM 743 CA ASP A 52 30.331 46.476 -24.404 1.00 12.25 C ATOM 744 C ASP A 52 30.526 47.742 -25.228 1.00 34.31 C ATOM 745 O ASP A 52 29.657 48.614 -25.258 1.00 33.15 O ATOM 746 CB ASP A 52 31.440 46.386 -23.353 1.00 5.20 C ATOM 747 CG ASP A 52 31.648 47.700 -22.619 1.00 62.52 C ATOM 748 OD1 ASP A 52 30.756 48.105 -21.846 1.00 12.41 O ATOM 749 OD2 ASP A 52 32.713 48.326 -22.809 1.00 63.02 O1- ATOM 0 H ASP A 52 31.010 44.573 -24.972 1.00 2.23 H new ATOM 0 HA ASP A 52 29.358 46.535 -23.916 1.00 12.25 H new ATOM 0 HB2 ASP A 52 31.193 45.606 -22.633 1.00 5.20 H new ATOM 0 HB3 ASP A 52 32.372 46.091 -23.836 1.00 5.20 H new ATOM 754 N ASN A 53 31.658 47.823 -25.910 1.00 61.25 N ATOM 755 CA ASN A 53 32.027 49.026 -26.647 1.00 42.12 C ATOM 756 C ASN A 53 31.044 49.289 -27.776 1.00 63.01 C ATOM 757 O ASN A 53 30.741 50.436 -28.094 1.00 23.25 O ATOM 758 CB ASN A 53 33.447 48.893 -27.206 1.00 44.53 C ATOM 759 CG ASN A 53 33.906 50.134 -27.951 1.00 73.01 C ATOM 760 OD1 ASN A 53 33.717 50.255 -29.164 1.00 72.42 O ATOM 761 ND2 ASN A 53 34.515 51.066 -27.233 1.00 31.23 N ATOM 0 H ASN A 53 32.341 47.068 -25.970 1.00 61.25 H new ATOM 0 HA ASN A 53 31.996 49.870 -25.958 1.00 42.12 H new ATOM 0 HB2 ASN A 53 34.137 48.691 -26.387 1.00 44.53 H new ATOM 0 HB3 ASN A 53 33.489 48.036 -27.878 1.00 44.53 H new ATOM 0 HD21 ASN A 53 34.846 51.920 -27.682 1.00 31.23 H new ATOM 0 HD22 ASN A 53 34.653 50.929 -26.232 1.00 31.23 H new ATOM 768 N PHE A 54 30.521 48.215 -28.355 1.00 22.14 N ATOM 769 CA PHE A 54 29.625 48.328 -29.493 1.00 43.23 C ATOM 770 C PHE A 54 28.268 48.900 -29.087 1.00 0.30 C ATOM 771 O PHE A 54 27.869 49.954 -29.579 1.00 51.31 O ATOM 772 CB PHE A 54 29.439 46.970 -30.178 1.00 64.13 C ATOM 773 CG PHE A 54 28.472 47.018 -31.326 1.00 32.43 C ATOM 774 CD1 PHE A 54 27.251 46.367 -31.247 1.00 20.25 C ATOM 775 CD2 PHE A 54 28.776 47.731 -32.476 1.00 52.44 C ATOM 776 CE1 PHE A 54 26.353 46.423 -32.296 1.00 74.25 C ATOM 777 CE2 PHE A 54 27.881 47.789 -33.527 1.00 41.13 C ATOM 778 CZ PHE A 54 26.668 47.137 -33.436 1.00 1.54 C ATOM 0 H PHE A 54 30.703 47.258 -28.054 1.00 22.14 H new ATOM 0 HA PHE A 54 30.086 49.019 -30.199 1.00 43.23 H new ATOM 0 HB2 PHE A 54 30.405 46.616 -30.539 1.00 64.13 H new ATOM 0 HB3 PHE A 54 29.087 46.245 -29.444 1.00 64.13 H new ATOM 0 HD1 PHE A 54 26.999 45.810 -30.357 1.00 20.25 H new ATOM 0 HD2 PHE A 54 29.722 48.246 -32.551 1.00 52.44 H new ATOM 0 HE1 PHE A 54 25.406 45.909 -32.225 1.00 74.25 H new ATOM 0 HE2 PHE A 54 28.130 48.344 -34.419 1.00 41.13 H new ATOM 0 HZ PHE A 54 25.966 47.185 -34.255 1.00 1.54 H new ATOM 788 N THR A 55 27.572 48.224 -28.177 1.00 75.41 N ATOM 789 CA THR A 55 26.206 48.608 -27.834 1.00 62.12 C ATOM 790 C THR A 55 26.168 49.978 -27.144 1.00 21.25 C ATOM 791 O THR A 55 25.159 50.681 -27.195 1.00 1.24 O ATOM 792 CB THR A 55 25.509 47.533 -26.959 1.00 4.21 C ATOM 793 OG1 THR A 55 24.111 47.825 -26.830 1.00 21.43 O ATOM 794 CG2 THR A 55 26.137 47.448 -25.577 1.00 4.31 C ATOM 0 H THR A 55 27.927 47.415 -27.668 1.00 75.41 H new ATOM 0 HA THR A 55 25.651 48.684 -28.769 1.00 62.12 H new ATOM 0 HB THR A 55 25.638 46.572 -27.456 1.00 4.21 H new ATOM 0 HG1 THR A 55 23.683 47.138 -26.277 1.00 21.43 H new ATOM 0 HG21 THR A 55 25.624 46.685 -24.991 1.00 4.31 H new ATOM 0 HG22 THR A 55 27.191 47.186 -25.672 1.00 4.31 H new ATOM 0 HG23 THR A 55 26.047 48.412 -25.076 1.00 4.31 H new ATOM 802 N GLN A 56 27.283 50.368 -26.533 1.00 32.54 N ATOM 803 CA GLN A 56 27.380 51.672 -25.889 1.00 40.22 C ATOM 804 C GLN A 56 27.712 52.753 -26.910 1.00 42.31 C ATOM 805 O GLN A 56 27.245 53.884 -26.796 1.00 33.50 O ATOM 806 CB GLN A 56 28.424 51.662 -24.771 1.00 24.31 C ATOM 807 CG GLN A 56 27.826 51.466 -23.386 1.00 3.12 C ATOM 808 CD GLN A 56 27.086 50.154 -23.231 1.00 23.51 C ATOM 809 OE1 GLN A 56 25.890 50.067 -23.503 1.00 22.43 O ATOM 810 NE2 GLN A 56 27.788 49.128 -22.780 1.00 51.20 N ATOM 0 H GLN A 56 28.129 49.801 -26.471 1.00 32.54 H new ATOM 0 HA GLN A 56 26.410 51.895 -25.445 1.00 40.22 H new ATOM 0 HB2 GLN A 56 29.144 50.866 -24.964 1.00 24.31 H new ATOM 0 HB3 GLN A 56 28.975 52.602 -24.791 1.00 24.31 H new ATOM 0 HG2 GLN A 56 28.623 51.515 -22.644 1.00 3.12 H new ATOM 0 HG3 GLN A 56 27.142 52.288 -23.174 1.00 3.12 H new ATOM 0 HE21 GLN A 56 28.779 49.243 -22.566 1.00 51.20 H new ATOM 0 HE22 GLN A 56 27.339 48.222 -22.646 1.00 51.20 H new ATOM 819 N ALA A 57 28.503 52.403 -27.920 1.00 43.12 N ATOM 820 CA ALA A 57 28.800 53.330 -29.005 1.00 74.22 C ATOM 821 C ALA A 57 27.528 53.643 -29.779 1.00 13.44 C ATOM 822 O ALA A 57 27.388 54.721 -30.356 1.00 44.41 O ATOM 823 CB ALA A 57 29.860 52.762 -29.935 1.00 32.32 C ATOM 0 H ALA A 57 28.947 51.489 -28.009 1.00 43.12 H new ATOM 0 HA ALA A 57 29.192 54.251 -28.574 1.00 74.22 H new ATOM 0 HB1 ALA A 57 30.062 53.474 -30.735 1.00 32.32 H new ATOM 0 HB2 ALA A 57 30.776 52.578 -29.373 1.00 32.32 H new ATOM 0 HB3 ALA A 57 29.503 51.826 -30.364 1.00 32.32 H new ATOM 829 N ILE A 58 26.597 52.692 -29.783 1.00 52.41 N ATOM 830 CA ILE A 58 25.301 52.896 -30.414 1.00 43.42 C ATOM 831 C ILE A 58 24.552 54.036 -29.731 1.00 42.32 C ATOM 832 O ILE A 58 23.849 54.806 -30.378 1.00 2.22 O ATOM 833 CB ILE A 58 24.431 51.620 -30.373 1.00 4.31 C ATOM 834 CG1 ILE A 58 25.192 50.442 -30.976 1.00 33.32 C ATOM 835 CG2 ILE A 58 23.117 51.838 -31.115 1.00 22.11 C ATOM 836 CD1 ILE A 58 24.369 49.179 -31.102 1.00 75.03 C ATOM 0 H ILE A 58 26.718 51.774 -29.356 1.00 52.41 H new ATOM 0 HA ILE A 58 25.489 53.148 -31.458 1.00 43.42 H new ATOM 0 HB ILE A 58 24.202 51.394 -29.332 1.00 4.31 H new ATOM 0 HG12 ILE A 58 25.558 50.725 -31.963 1.00 33.32 H new ATOM 0 HG13 ILE A 58 26.067 50.234 -30.360 1.00 33.32 H new ATOM 0 HG21 ILE A 58 22.520 50.927 -31.073 1.00 22.11 H new ATOM 0 HG22 ILE A 58 22.566 52.654 -30.647 1.00 22.11 H new ATOM 0 HG23 ILE A 58 23.324 52.089 -32.155 1.00 22.11 H new ATOM 0 HD11 ILE A 58 24.980 48.389 -31.538 1.00 75.03 H new ATOM 0 HD12 ILE A 58 24.025 48.869 -30.115 1.00 75.03 H new ATOM 0 HD13 ILE A 58 23.508 49.368 -31.743 1.00 75.03 H new ATOM 848 N GLN A 59 24.724 54.146 -28.420 1.00 20.32 N ATOM 849 CA GLN A 59 24.085 55.204 -27.647 1.00 43.14 C ATOM 850 C GLN A 59 24.677 56.565 -27.997 1.00 30.01 C ATOM 851 O GLN A 59 23.984 57.581 -27.982 1.00 22.32 O ATOM 852 CB GLN A 59 24.241 54.935 -26.147 1.00 0.24 C ATOM 853 CG GLN A 59 23.505 53.690 -25.667 1.00 33.03 C ATOM 854 CD GLN A 59 23.781 53.369 -24.209 1.00 32.54 C ATOM 855 OE1 GLN A 59 24.048 54.260 -23.401 1.00 24.13 O ATOM 856 NE2 GLN A 59 23.705 52.095 -23.862 1.00 51.23 N ATOM 0 H GLN A 59 25.303 53.513 -27.868 1.00 20.32 H new ATOM 0 HA GLN A 59 23.024 55.214 -27.898 1.00 43.14 H new ATOM 0 HB2 GLN A 59 25.301 54.832 -25.914 1.00 0.24 H new ATOM 0 HB3 GLN A 59 23.875 55.799 -25.592 1.00 0.24 H new ATOM 0 HG2 GLN A 59 22.433 53.831 -25.807 1.00 33.03 H new ATOM 0 HG3 GLN A 59 23.798 52.840 -26.283 1.00 33.03 H new ATOM 0 HE21 GLN A 59 23.481 51.388 -24.562 1.00 51.23 H new ATOM 0 HE22 GLN A 59 23.870 51.819 -22.894 1.00 51.23 H new ATOM 865 N SER A 60 25.958 56.577 -28.329 1.00 51.04 N ATOM 866 CA SER A 60 26.641 57.804 -28.680 1.00 11.41 C ATOM 867 C SER A 60 26.337 58.195 -30.123 1.00 54.31 C ATOM 868 O SER A 60 26.198 59.372 -30.430 1.00 71.15 O ATOM 869 CB SER A 60 28.149 57.630 -28.479 1.00 73.34 C ATOM 870 OG SER A 60 28.438 57.203 -27.154 1.00 3.51 O ATOM 0 H SER A 60 26.545 55.744 -28.362 1.00 51.04 H new ATOM 0 HA SER A 60 26.285 58.604 -28.031 1.00 11.41 H new ATOM 0 HB2 SER A 60 28.533 56.901 -29.192 1.00 73.34 H new ATOM 0 HB3 SER A 60 28.658 58.572 -28.681 1.00 73.34 H new ATOM 0 HG SER A 60 29.406 57.097 -27.048 1.00 3.51 H new ATOM 876 N GLN A 61 26.201 57.196 -30.999 1.00 30.10 N ATOM 877 CA GLN A 61 25.980 57.444 -32.424 1.00 24.42 C ATOM 878 C GLN A 61 24.528 57.821 -32.709 1.00 14.32 C ATOM 879 O GLN A 61 24.162 58.101 -33.854 1.00 1.12 O ATOM 880 CB GLN A 61 26.378 56.219 -33.252 1.00 64.21 C ATOM 881 CG GLN A 61 25.423 55.046 -33.116 1.00 32.32 C ATOM 882 CD GLN A 61 25.864 53.824 -33.899 1.00 64.01 C ATOM 883 OE1 GLN A 61 27.167 53.646 -34.046 1.00 52.54 O flip ATOM 884 NE2 GLN A 61 25.037 53.043 -34.364 1.00 61.52 N flip ATOM 0 H GLN A 61 26.240 56.209 -30.746 1.00 30.10 H new ATOM 0 HA GLN A 61 26.609 58.286 -32.711 1.00 24.42 H new ATOM 0 HB2 GLN A 61 26.437 56.506 -34.302 1.00 64.21 H new ATOM 0 HB3 GLN A 61 27.376 55.899 -32.952 1.00 64.21 H new ATOM 0 HG2 GLN A 61 25.331 54.781 -32.063 1.00 32.32 H new ATOM 0 HG3 GLN A 61 24.433 55.350 -33.456 1.00 32.32 H new ATOM 0 HE21 GLN A 61 24.041 53.215 -34.229 1.00 61.52 H new ATOM 0 HE22 GLN A 61 25.347 52.223 -34.885 1.00 61.52 H new ATOM 893 N ILE A 62 23.706 57.840 -31.666 1.00 25.21 N ATOM 894 CA ILE A 62 22.311 58.243 -31.800 1.00 60.23 C ATOM 895 C ILE A 62 22.218 59.682 -32.304 1.00 4.22 C ATOM 896 O ILE A 62 21.284 60.041 -33.017 1.00 73.53 O ATOM 897 CB ILE A 62 21.546 58.110 -30.456 1.00 31.41 C ATOM 898 CG1 ILE A 62 21.465 56.640 -30.031 1.00 75.12 C ATOM 899 CG2 ILE A 62 20.146 58.703 -30.557 1.00 11.33 C ATOM 900 CD1 ILE A 62 20.757 56.421 -28.705 1.00 54.33 C ATOM 0 H ILE A 62 23.981 57.581 -30.719 1.00 25.21 H new ATOM 0 HA ILE A 62 21.846 57.574 -32.524 1.00 60.23 H new ATOM 0 HB ILE A 62 22.098 58.669 -29.701 1.00 31.41 H new ATOM 0 HG12 ILE A 62 20.946 56.076 -30.806 1.00 75.12 H new ATOM 0 HG13 ILE A 62 22.475 56.235 -29.964 1.00 75.12 H new ATOM 0 HG21 ILE A 62 19.635 58.595 -29.600 1.00 11.33 H new ATOM 0 HG22 ILE A 62 20.216 59.760 -30.813 1.00 11.33 H new ATOM 0 HG23 ILE A 62 19.584 58.179 -31.330 1.00 11.33 H new ATOM 0 HD11 ILE A 62 20.740 55.356 -28.473 1.00 54.33 H new ATOM 0 HD12 ILE A 62 21.287 56.956 -27.917 1.00 54.33 H new ATOM 0 HD13 ILE A 62 19.735 56.794 -28.772 1.00 54.33 H new ATOM 912 N LEU A 63 23.224 60.484 -31.968 1.00 64.35 N ATOM 913 CA LEU A 63 23.248 61.900 -32.329 1.00 53.53 C ATOM 914 C LEU A 63 23.228 62.103 -33.852 1.00 34.31 C ATOM 915 O LEU A 63 22.882 63.177 -34.342 1.00 74.53 O ATOM 916 CB LEU A 63 24.464 62.584 -31.674 1.00 24.15 C ATOM 917 CG LEU A 63 25.846 62.424 -32.347 1.00 14.34 C ATOM 918 CD1 LEU A 63 26.937 62.787 -31.356 1.00 52.54 C ATOM 919 CD2 LEU A 63 26.095 61.019 -32.876 1.00 61.01 C ATOM 0 H LEU A 63 24.041 60.175 -31.441 1.00 64.35 H new ATOM 0 HA LEU A 63 22.341 62.369 -31.948 1.00 53.53 H new ATOM 0 HB2 LEU A 63 24.249 63.650 -31.606 1.00 24.15 H new ATOM 0 HB3 LEU A 63 24.546 62.210 -30.654 1.00 24.15 H new ATOM 0 HG LEU A 63 25.860 63.096 -33.205 1.00 14.34 H new ATOM 0 HD11 LEU A 63 27.912 62.674 -31.831 1.00 52.54 H new ATOM 0 HD12 LEU A 63 26.807 63.820 -31.034 1.00 52.54 H new ATOM 0 HD13 LEU A 63 26.876 62.127 -30.490 1.00 52.54 H new ATOM 0 HD21 LEU A 63 27.082 60.973 -33.336 1.00 61.01 H new ATOM 0 HD22 LEU A 63 26.045 60.306 -32.053 1.00 61.01 H new ATOM 0 HD23 LEU A 63 25.337 60.770 -33.618 1.00 61.01 H new ATOM 931 N GLY A 64 23.591 61.061 -34.590 1.00 54.14 N ATOM 932 CA GLY A 64 23.515 61.101 -36.035 1.00 43.53 C ATOM 933 C GLY A 64 22.452 60.161 -36.558 1.00 42.50 C ATOM 934 O GLY A 64 21.807 60.433 -37.574 1.00 45.41 O ATOM 0 H GLY A 64 23.940 60.182 -34.207 1.00 54.14 H new ATOM 0 HA2 GLY A 64 23.296 62.118 -36.361 1.00 43.53 H new ATOM 0 HA3 GLY A 64 24.482 60.831 -36.459 1.00 43.53 H new ATOM 938 N GLY A 65 22.261 59.056 -35.841 1.00 25.24 N ATOM 939 CA GLY A 65 21.259 58.071 -36.214 1.00 5.50 C ATOM 940 C GLY A 65 19.851 58.628 -36.156 1.00 33.53 C ATOM 941 O GLY A 65 18.971 58.172 -36.885 1.00 11.34 O ATOM 0 H GLY A 65 22.789 58.824 -34.999 1.00 25.24 H new ATOM 0 HA2 GLY A 65 21.464 57.713 -37.223 1.00 5.50 H new ATOM 0 HA3 GLY A 65 21.334 57.211 -35.549 1.00 5.50 H new ATOM 945 N LEU A 66 19.640 59.614 -35.284 1.00 53.33 N ATOM 946 CA LEU A 66 18.346 60.285 -35.176 1.00 72.23 C ATOM 947 C LEU A 66 17.880 60.779 -36.536 1.00 34.12 C ATOM 948 O LEU A 66 16.748 60.530 -36.936 1.00 33.03 O ATOM 949 CB LEU A 66 18.416 61.469 -34.204 1.00 31.31 C ATOM 950 CG LEU A 66 18.530 61.108 -32.726 1.00 64.21 C ATOM 951 CD1 LEU A 66 18.701 62.363 -31.884 1.00 22.03 C ATOM 952 CD2 LEU A 66 17.303 60.332 -32.275 1.00 65.03 C ATOM 0 H LEU A 66 20.350 59.966 -34.642 1.00 53.33 H new ATOM 0 HA LEU A 66 17.632 59.556 -34.793 1.00 72.23 H new ATOM 0 HB2 LEU A 66 19.272 62.087 -34.475 1.00 31.31 H new ATOM 0 HB3 LEU A 66 17.525 62.081 -34.342 1.00 31.31 H new ATOM 0 HG LEU A 66 19.409 60.478 -32.591 1.00 64.21 H new ATOM 0 HD11 LEU A 66 18.781 62.088 -30.832 1.00 22.03 H new ATOM 0 HD12 LEU A 66 19.606 62.887 -32.192 1.00 22.03 H new ATOM 0 HD13 LEU A 66 17.839 63.015 -32.024 1.00 22.03 H new ATOM 0 HD21 LEU A 66 17.399 60.082 -31.219 1.00 65.03 H new ATOM 0 HD22 LEU A 66 16.412 60.942 -32.424 1.00 65.03 H new ATOM 0 HD23 LEU A 66 17.217 59.416 -32.859 1.00 65.03 H new ATOM 964 N LEU A 67 18.776 61.442 -37.257 1.00 53.21 N ATOM 965 CA LEU A 67 18.442 62.040 -38.545 1.00 64.45 C ATOM 966 C LEU A 67 17.995 60.973 -39.547 1.00 60.43 C ATOM 967 O LEU A 67 17.167 61.232 -40.419 1.00 44.24 O ATOM 968 CB LEU A 67 19.648 62.806 -39.095 1.00 51.43 C ATOM 969 CG LEU A 67 20.227 63.872 -38.163 1.00 3.00 C ATOM 970 CD1 LEU A 67 21.429 64.540 -38.805 1.00 70.32 C ATOM 971 CD2 LEU A 67 19.171 64.902 -37.800 1.00 22.21 C ATOM 0 H LEU A 67 19.745 61.580 -36.970 1.00 53.21 H new ATOM 0 HA LEU A 67 17.614 62.733 -38.395 1.00 64.45 H new ATOM 0 HB2 LEU A 67 20.434 62.090 -39.333 1.00 51.43 H new ATOM 0 HB3 LEU A 67 19.358 63.284 -40.031 1.00 51.43 H new ATOM 0 HG LEU A 67 20.553 63.384 -37.244 1.00 3.00 H new ATOM 0 HD11 LEU A 67 21.829 65.296 -38.129 1.00 70.32 H new ATOM 0 HD12 LEU A 67 22.196 63.792 -39.008 1.00 70.32 H new ATOM 0 HD13 LEU A 67 21.127 65.012 -39.740 1.00 70.32 H new ATOM 0 HD21 LEU A 67 19.605 65.650 -37.137 1.00 22.21 H new ATOM 0 HD22 LEU A 67 18.809 65.387 -38.707 1.00 22.21 H new ATOM 0 HD23 LEU A 67 18.340 64.409 -37.296 1.00 22.21 H new ATOM 983 N SER A 68 18.539 59.771 -39.404 1.00 40.32 N ATOM 984 CA SER A 68 18.189 58.665 -40.281 1.00 11.31 C ATOM 985 C SER A 68 16.825 58.085 -39.900 1.00 75.02 C ATOM 986 O SER A 68 16.041 57.689 -40.765 1.00 75.11 O ATOM 987 CB SER A 68 19.268 57.585 -40.199 1.00 0.14 C ATOM 988 OG SER A 68 20.558 58.142 -40.397 1.00 4.11 O ATOM 0 H SER A 68 19.226 59.539 -38.687 1.00 40.32 H new ATOM 0 HA SER A 68 18.127 59.032 -41.305 1.00 11.31 H new ATOM 0 HB2 SER A 68 19.224 57.095 -39.226 1.00 0.14 H new ATOM 0 HB3 SER A 68 19.079 56.819 -40.951 1.00 0.14 H new ATOM 0 HG SER A 68 21.233 57.434 -40.339 1.00 4.11 H new ATOM 994 N ASN A 69 16.537 58.056 -38.601 1.00 22.22 N ATOM 995 CA ASN A 69 15.273 57.514 -38.110 1.00 3.21 C ATOM 996 C ASN A 69 14.144 58.516 -38.313 1.00 33.23 C ATOM 997 O ASN A 69 12.977 58.136 -38.441 1.00 41.32 O ATOM 998 CB ASN A 69 15.376 57.138 -36.626 1.00 53.44 C ATOM 999 CG ASN A 69 16.351 56.001 -36.369 1.00 25.14 C ATOM 1000 OD1 ASN A 69 16.568 55.140 -37.225 1.00 41.35 O ATOM 1001 ND2 ASN A 69 16.939 55.987 -35.183 1.00 2.13 N ATOM 0 H ASN A 69 17.160 58.401 -37.871 1.00 22.22 H new ATOM 0 HA ASN A 69 15.053 56.613 -38.682 1.00 3.21 H new ATOM 0 HB2 ASN A 69 15.688 58.013 -36.056 1.00 53.44 H new ATOM 0 HB3 ASN A 69 14.390 56.854 -36.259 1.00 53.44 H new ATOM 0 HD21 ASN A 69 17.599 55.245 -34.950 1.00 2.13 H new ATOM 0 HD22 ASN A 69 16.732 56.718 -34.503 1.00 2.13 H new ATOM 1008 N ILE A 70 14.499 59.798 -38.356 1.00 71.41 N ATOM 1009 CA ILE A 70 13.528 60.855 -38.608 1.00 54.25 C ATOM 1010 C ILE A 70 12.949 60.718 -40.008 1.00 15.54 C ATOM 1011 O ILE A 70 11.761 60.956 -40.220 1.00 23.53 O ATOM 1012 CB ILE A 70 14.147 62.267 -38.432 1.00 3.10 C ATOM 1013 CG1 ILE A 70 14.512 62.512 -36.963 1.00 23.53 C ATOM 1014 CG2 ILE A 70 13.197 63.349 -38.931 1.00 12.32 C ATOM 1015 CD1 ILE A 70 13.342 62.374 -36.007 1.00 42.43 C ATOM 0 H ILE A 70 15.454 60.128 -38.219 1.00 71.41 H new ATOM 0 HA ILE A 70 12.732 60.745 -37.871 1.00 54.25 H new ATOM 0 HB ILE A 70 15.056 62.314 -39.031 1.00 3.10 H new ATOM 0 HG12 ILE A 70 15.292 61.809 -36.671 1.00 23.53 H new ATOM 0 HG13 ILE A 70 14.932 63.513 -36.865 1.00 23.53 H new ATOM 0 HG21 ILE A 70 13.657 64.328 -38.795 1.00 12.32 H new ATOM 0 HG22 ILE A 70 12.988 63.190 -39.989 1.00 12.32 H new ATOM 0 HG23 ILE A 70 12.266 63.304 -38.366 1.00 12.32 H new ATOM 0 HD11 ILE A 70 13.681 62.562 -34.988 1.00 42.43 H new ATOM 0 HD12 ILE A 70 12.569 63.096 -36.271 1.00 42.43 H new ATOM 0 HD13 ILE A 70 12.935 61.365 -36.074 1.00 42.43 H new ATOM 1129 N MET A 78 18.944 45.086 -39.860 1.00 12.00 N ATOM 1130 CA MET A 78 18.782 43.662 -40.057 1.00 2.03 C ATOM 1131 C MET A 78 19.569 42.908 -38.998 1.00 70.13 C ATOM 1132 O MET A 78 20.798 42.825 -39.059 1.00 44.34 O ATOM 1133 CB MET A 78 19.235 43.250 -41.458 1.00 63.14 C ATOM 1134 CG MET A 78 18.996 41.779 -41.770 1.00 52.15 C ATOM 1135 SD MET A 78 19.446 41.338 -43.461 1.00 73.31 S ATOM 1136 CE MET A 78 21.200 41.697 -43.452 1.00 35.54 C ATOM 0 HA MET A 78 17.725 43.412 -39.962 1.00 2.03 H new ATOM 0 HB2 MET A 78 18.709 43.859 -42.194 1.00 63.14 H new ATOM 0 HB3 MET A 78 20.298 43.467 -41.565 1.00 63.14 H new ATOM 0 HG2 MET A 78 19.571 41.167 -41.075 1.00 52.15 H new ATOM 0 HG3 MET A 78 17.944 41.544 -41.606 1.00 52.15 H new ATOM 0 HE1 MET A 78 21.679 41.191 -44.290 1.00 35.54 H new ATOM 0 HE2 MET A 78 21.352 42.773 -43.542 1.00 35.54 H new ATOM 0 HE3 MET A 78 21.638 41.346 -42.518 1.00 35.54 H new ATOM 1146 N VAL A 79 18.852 42.388 -38.015 1.00 63.22 N ATOM 1147 CA VAL A 79 19.468 41.637 -36.938 1.00 53.31 C ATOM 1148 C VAL A 79 19.956 40.298 -37.461 1.00 34.33 C ATOM 1149 O VAL A 79 19.163 39.382 -37.690 1.00 23.05 O ATOM 1150 CB VAL A 79 18.487 41.403 -35.769 1.00 51.15 C ATOM 1151 CG1 VAL A 79 19.175 40.669 -34.625 1.00 62.34 C ATOM 1152 CG2 VAL A 79 17.905 42.722 -35.283 1.00 20.14 C ATOM 0 H VAL A 79 17.838 42.474 -37.943 1.00 63.22 H new ATOM 0 HA VAL A 79 20.307 42.223 -36.563 1.00 53.31 H new ATOM 0 HB VAL A 79 17.670 40.780 -36.132 1.00 51.15 H new ATOM 0 HG11 VAL A 79 18.465 40.515 -33.812 1.00 62.34 H new ATOM 0 HG12 VAL A 79 19.538 39.704 -34.978 1.00 62.34 H new ATOM 0 HG13 VAL A 79 20.015 41.263 -34.265 1.00 62.34 H new ATOM 0 HG21 VAL A 79 17.216 42.534 -34.459 1.00 20.14 H new ATOM 0 HG22 VAL A 79 18.711 43.371 -34.941 1.00 20.14 H new ATOM 0 HG23 VAL A 79 17.370 43.207 -36.100 1.00 20.14 H new ATOM 1162 N THR A 80 21.252 40.206 -37.689 1.00 24.24 N ATOM 1163 CA THR A 80 21.850 38.974 -38.151 1.00 43.31 C ATOM 1164 C THR A 80 22.363 38.187 -36.946 1.00 22.22 C ATOM 1165 O THR A 80 22.458 38.733 -35.847 1.00 20.53 O ATOM 1166 CB THR A 80 22.994 39.263 -39.148 1.00 4.42 C ATOM 1167 OG1 THR A 80 22.601 40.321 -40.033 1.00 23.43 O ATOM 1168 CG2 THR A 80 23.338 38.032 -39.973 1.00 23.11 C ATOM 0 H THR A 80 21.911 40.974 -37.560 1.00 24.24 H new ATOM 0 HA THR A 80 21.100 38.381 -38.675 1.00 43.31 H new ATOM 0 HB THR A 80 23.875 39.552 -38.574 1.00 4.42 H new ATOM 0 HG1 THR A 80 23.327 40.506 -40.665 1.00 23.43 H new ATOM 0 HG21 THR A 80 24.147 38.271 -40.664 1.00 23.11 H new ATOM 0 HG22 THR A 80 23.653 37.226 -39.310 1.00 23.11 H new ATOM 0 HG23 THR A 80 22.461 37.715 -40.537 1.00 23.11 H new ATOM 1176 N ASN A 81 22.667 36.910 -37.150 1.00 12.13 N ATOM 1177 CA ASN A 81 23.145 36.039 -36.075 1.00 13.33 C ATOM 1178 C ASN A 81 24.350 36.643 -35.351 1.00 53.52 C ATOM 1179 O ASN A 81 24.538 36.432 -34.151 1.00 72.31 O ATOM 1180 CB ASN A 81 23.508 34.663 -36.642 1.00 31.34 C ATOM 1181 CG ASN A 81 24.029 33.715 -35.580 1.00 23.22 C ATOM 1182 OD1 ASN A 81 23.254 33.050 -34.894 1.00 55.05 O ATOM 1183 ND2 ASN A 81 25.343 33.628 -35.453 1.00 51.02 N ATOM 0 H ASN A 81 22.591 36.449 -38.057 1.00 12.13 H new ATOM 0 HA ASN A 81 22.340 35.933 -35.347 1.00 13.33 H new ATOM 0 HB2 ASN A 81 22.629 34.225 -37.115 1.00 31.34 H new ATOM 0 HB3 ASN A 81 24.262 34.782 -37.420 1.00 31.34 H new ATOM 0 HD21 ASN A 81 25.748 32.992 -34.766 1.00 51.02 H new ATOM 0 HD22 ASN A 81 25.951 34.197 -36.042 1.00 51.02 H new ATOM 1190 N ASP A 82 25.158 37.402 -36.081 1.00 32.11 N ATOM 1191 CA ASP A 82 26.348 38.020 -35.507 1.00 24.13 C ATOM 1192 C ASP A 82 26.524 39.438 -36.034 1.00 61.51 C ATOM 1193 O ASP A 82 26.827 40.360 -35.278 1.00 75.51 O ATOM 1194 CB ASP A 82 27.590 37.185 -35.830 1.00 23.52 C ATOM 1195 CG ASP A 82 28.852 37.757 -35.209 1.00 72.21 C ATOM 1196 OD1 ASP A 82 29.664 38.352 -35.940 1.00 63.25 O ATOM 1197 OD2 ASP A 82 29.049 37.581 -33.986 1.00 30.43 O1- ATOM 0 H ASP A 82 25.012 37.604 -37.070 1.00 32.11 H new ATOM 0 HA ASP A 82 26.222 38.063 -34.425 1.00 24.13 H new ATOM 0 HB2 ASP A 82 27.442 36.166 -35.472 1.00 23.52 H new ATOM 0 HB3 ASP A 82 27.715 37.128 -36.911 1.00 23.52 H new ATOM 1202 N TYR A 83 26.309 39.603 -37.332 1.00 2.10 N ATOM 1203 CA TYR A 83 26.506 40.891 -37.989 1.00 61.22 C ATOM 1204 C TYR A 83 25.356 41.849 -37.699 1.00 25.13 C ATOM 1205 O TYR A 83 24.202 41.438 -37.586 1.00 35.42 O ATOM 1206 CB TYR A 83 26.643 40.695 -39.499 1.00 22.35 C ATOM 1207 CG TYR A 83 27.755 39.749 -39.885 1.00 63.34 C ATOM 1208 CD1 TYR A 83 29.044 40.214 -40.097 1.00 54.31 C ATOM 1209 CD2 TYR A 83 27.514 38.388 -40.031 1.00 61.31 C ATOM 1210 CE1 TYR A 83 30.063 39.352 -40.444 1.00 54.50 C ATOM 1211 CE2 TYR A 83 28.528 37.519 -40.379 1.00 43.02 C ATOM 1212 CZ TYR A 83 29.800 38.006 -40.583 1.00 0.23 C ATOM 1213 OH TYR A 83 30.819 37.144 -40.923 1.00 35.22 O ATOM 0 H TYR A 83 25.997 38.858 -37.955 1.00 2.10 H new ATOM 0 HA TYR A 83 27.422 41.329 -37.591 1.00 61.22 H new ATOM 0 HB2 TYR A 83 25.701 40.317 -39.895 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.820 41.663 -39.968 1.00 22.35 H new ATOM 0 HD1 TYR A 83 29.253 41.268 -39.989 1.00 54.31 H new ATOM 0 HD2 TYR A 83 26.517 38.004 -39.870 1.00 61.31 H new ATOM 0 HE1 TYR A 83 31.062 39.730 -40.606 1.00 54.50 H new ATOM 0 HE2 TYR A 83 28.325 36.464 -40.491 1.00 43.02 H new ATOM 0 HH TYR A 83 30.469 36.230 -40.980 1.00 35.22 H new ATOM 1223 N ILE A 84 25.680 43.128 -37.568 1.00 71.04 N ATOM 1224 CA ILE A 84 24.670 44.158 -37.381 1.00 33.43 C ATOM 1225 C ILE A 84 24.598 45.026 -38.630 1.00 24.33 C ATOM 1226 O ILE A 84 25.440 45.900 -38.842 1.00 13.30 O ATOM 1227 CB ILE A 84 24.952 45.058 -36.150 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.090 44.218 -34.872 1.00 70.51 C ATOM 1229 CG2 ILE A 84 23.840 46.087 -35.981 1.00 63.41 C ATOM 1230 CD1 ILE A 84 26.456 43.588 -34.694 1.00 21.15 C ATOM 0 H ILE A 84 26.638 43.477 -37.588 1.00 71.04 H new ATOM 0 HA ILE A 84 23.721 43.652 -37.204 1.00 33.43 H new ATOM 0 HB ILE A 84 25.895 45.577 -36.321 1.00 35.11 H new ATOM 0 HG12 ILE A 84 24.877 44.850 -34.010 1.00 70.51 H new ATOM 0 HG13 ILE A 84 24.337 43.430 -34.884 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.051 46.712 -35.113 1.00 63.41 H new ATOM 0 HG22 ILE A 84 23.784 46.712 -36.873 1.00 63.41 H new ATOM 0 HG23 ILE A 84 22.889 45.574 -35.836 1.00 63.41 H new ATOM 0 HD11 ILE A 84 26.473 43.012 -33.769 1.00 21.15 H new ATOM 0 HD12 ILE A 84 26.665 42.929 -35.536 1.00 21.15 H new ATOM 0 HD13 ILE A 84 27.214 44.370 -34.648 1.00 21.15 H new ATOM 1242 N VAL A 85 23.612 44.763 -39.469 1.00 45.21 N ATOM 1243 CA VAL A 85 23.498 45.457 -40.739 1.00 41.00 C ATOM 1244 C VAL A 85 22.357 46.469 -40.703 1.00 52.13 C ATOM 1245 O VAL A 85 21.192 46.109 -40.867 1.00 43.50 O ATOM 1246 CB VAL A 85 23.259 44.461 -41.896 1.00 62.43 C ATOM 1247 CG1 VAL A 85 23.417 45.143 -43.245 1.00 1.04 C ATOM 1248 CG2 VAL A 85 24.194 43.265 -41.789 1.00 64.33 C ATOM 0 H VAL A 85 22.880 44.075 -39.294 1.00 45.21 H new ATOM 0 HA VAL A 85 24.438 45.981 -40.910 1.00 41.00 H new ATOM 0 HB VAL A 85 22.234 44.100 -41.815 1.00 62.43 H new ATOM 0 HG11 VAL A 85 23.243 44.419 -44.041 1.00 1.04 H new ATOM 0 HG12 VAL A 85 22.695 45.955 -43.329 1.00 1.04 H new ATOM 0 HG13 VAL A 85 24.426 45.545 -43.334 1.00 1.04 H new ATOM 0 HG21 VAL A 85 24.005 42.580 -42.615 1.00 64.33 H new ATOM 0 HG22 VAL A 85 25.228 43.607 -41.831 1.00 64.33 H new ATOM 0 HG23 VAL A 85 24.020 42.750 -40.844 1.00 64.33 H new ATOM 1258 N ASP A 86 22.683 47.732 -40.470 1.00 31.13 N ATOM 1259 CA ASP A 86 21.663 48.773 -40.433 1.00 20.21 C ATOM 1260 C ASP A 86 21.571 49.466 -41.780 1.00 24.31 C ATOM 1261 O ASP A 86 22.575 49.911 -42.337 1.00 74.51 O ATOM 1262 CB ASP A 86 21.949 49.798 -39.331 1.00 4.42 C ATOM 1263 CG ASP A 86 20.921 50.919 -39.298 1.00 33.31 C ATOM 1264 OD1 ASP A 86 19.737 50.647 -38.997 1.00 21.44 O ATOM 1265 OD2 ASP A 86 21.295 52.084 -39.557 1.00 45.22 O1- ATOM 0 H ASP A 86 23.635 48.060 -40.305 1.00 31.13 H new ATOM 0 HA ASP A 86 20.708 48.297 -40.209 1.00 20.21 H new ATOM 0 HB2 ASP A 86 21.963 49.294 -38.365 1.00 4.42 H new ATOM 0 HB3 ASP A 86 22.941 50.223 -39.483 1.00 4.42 H new ATOM 1270 N ILE A 87 20.363 49.534 -42.307 1.00 70.13 N ATOM 1271 CA ILE A 87 20.118 50.196 -43.573 1.00 11.31 C ATOM 1272 C ILE A 87 20.027 51.706 -43.354 1.00 5.45 C ATOM 1273 O ILE A 87 18.941 52.252 -43.159 1.00 31.44 O ATOM 1274 CB ILE A 87 18.818 49.665 -44.227 1.00 73.15 C ATOM 1275 CG1 ILE A 87 18.906 48.146 -44.399 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.571 50.333 -45.570 1.00 33.35 C ATOM 1277 CD1 ILE A 87 17.663 47.520 -44.995 1.00 31.30 C ATOM 0 H ILE A 87 19.530 49.135 -41.873 1.00 70.13 H new ATOM 0 HA ILE A 87 20.947 49.982 -44.248 1.00 11.31 H new ATOM 0 HB ILE A 87 17.980 49.904 -43.572 1.00 73.15 H new ATOM 0 HG12 ILE A 87 19.759 47.912 -45.036 1.00 41.53 H new ATOM 0 HG13 ILE A 87 19.099 47.691 -43.427 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.652 49.942 -46.007 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.476 51.410 -45.429 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.407 50.127 -46.238 1.00 33.35 H new ATOM 0 HD11 ILE A 87 17.805 46.443 -45.084 1.00 31.30 H new ATOM 0 HD12 ILE A 87 16.809 47.721 -44.349 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.479 47.945 -45.982 1.00 31.30 H new ATOM 1289 N ALA A 88 21.175 52.371 -43.355 1.00 34.53 N ATOM 1290 CA ALA A 88 21.225 53.792 -43.054 1.00 21.21 C ATOM 1291 C ALA A 88 20.727 54.633 -44.224 1.00 23.43 C ATOM 1292 O ALA A 88 21.509 55.111 -45.042 1.00 54.14 O ATOM 1293 CB ALA A 88 22.634 54.206 -42.655 1.00 40.44 C ATOM 0 H ALA A 88 22.081 51.949 -43.561 1.00 34.53 H new ATOM 0 HA ALA A 88 20.557 53.974 -42.212 1.00 21.21 H new ATOM 0 HB1 ALA A 88 22.651 55.273 -42.434 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.941 53.647 -41.771 1.00 40.44 H new ATOM 0 HB3 ALA A 88 23.321 53.995 -43.474 1.00 40.44 H new ATOM 1299 N ASN A 89 19.415 54.776 -44.314 1.00 52.24 N ATOM 1300 CA ASN A 89 18.800 55.630 -45.320 1.00 21.13 C ATOM 1301 C ASN A 89 18.503 56.994 -44.713 1.00 22.12 C ATOM 1302 O ASN A 89 17.542 57.150 -43.963 1.00 62.21 O ATOM 1303 CB ASN A 89 17.506 54.991 -45.839 1.00 44.43 C ATOM 1304 CG ASN A 89 16.816 55.812 -46.918 1.00 51.24 C ATOM 1305 OD1 ASN A 89 15.590 55.800 -47.026 1.00 34.21 O ATOM 1306 ND2 ASN A 89 17.589 56.512 -47.735 1.00 52.10 N ATOM 0 H ASN A 89 18.750 54.308 -43.698 1.00 52.24 H new ATOM 0 HA ASN A 89 19.487 55.749 -46.158 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.732 54.001 -46.235 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.819 54.851 -45.005 1.00 44.43 H new ATOM 0 HD21 ASN A 89 17.171 57.065 -48.484 1.00 52.10 H new ATOM 0 HD22 ASN A 89 18.602 56.498 -47.615 1.00 52.10 H new ATOM 1313 N ARG A 90 19.344 57.974 -45.013 1.00 34.23 N ATOM 1314 CA ARG A 90 19.182 59.300 -44.442 1.00 61.53 C ATOM 1315 C ARG A 90 19.008 60.347 -45.531 1.00 14.51 C ATOM 1316 O ARG A 90 19.983 60.803 -46.133 1.00 31.12 O ATOM 1317 CB ARG A 90 20.364 59.655 -43.538 1.00 1.00 C ATOM 1318 CG ARG A 90 20.224 61.016 -42.876 1.00 75.44 C ATOM 1319 CD ARG A 90 21.156 61.163 -41.687 1.00 14.21 C ATOM 1320 NE ARG A 90 22.569 61.152 -42.064 1.00 45.22 N ATOM 1321 CZ ARG A 90 23.516 60.545 -41.348 1.00 45.51 C ATOM 1322 NH1 ARG A 90 23.181 59.808 -40.293 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 24.793 60.658 -41.694 1.00 21.12 N ATOM 0 H ARG A 90 20.139 57.876 -45.644 1.00 34.23 H new ATOM 0 HA ARG A 90 18.278 59.291 -43.833 1.00 61.53 H new ATOM 0 HB2 ARG A 90 20.465 58.892 -42.767 1.00 1.00 H new ATOM 0 HB3 ARG A 90 21.281 59.637 -44.126 1.00 1.00 H new ATOM 0 HG2 ARG A 90 20.438 61.798 -43.604 1.00 75.44 H new ATOM 0 HG3 ARG A 90 19.194 61.157 -42.550 1.00 75.44 H new ATOM 0 HD2 ARG A 90 20.931 62.095 -41.169 1.00 14.21 H new ATOM 0 HD3 ARG A 90 20.967 60.353 -40.982 1.00 14.21 H new ATOM 0 HE ARG A 90 22.845 61.634 -42.920 1.00 45.22 H new ATOM 0 HH11 ARG A 90 22.200 59.707 -40.032 1.00 34.45 H new ATOM 0 HH12 ARG A 90 23.905 59.343 -39.745 1.00 34.45 H new ATOM 0 HH21 ARG A 90 25.053 61.211 -42.511 1.00 21.12 H new ATOM 0 HH22 ARG A 90 25.514 60.192 -41.143 1.00 21.12 H new ATOM 1337 N ASP A 91 17.748 60.686 -45.782 1.00 14.33 N ATOM 1338 CA ASP A 91 17.373 61.731 -46.727 1.00 71.02 C ATOM 1339 C ASP A 91 17.869 61.414 -48.134 1.00 43.52 C ATOM 1340 O ASP A 91 18.928 61.874 -48.565 1.00 61.51 O ATOM 1341 CB ASP A 91 17.886 63.097 -46.265 1.00 34.34 C ATOM 1342 CG ASP A 91 17.350 64.232 -47.108 1.00 2.00 C ATOM 1343 OD1 ASP A 91 16.117 64.435 -47.125 1.00 21.24 O ATOM 1344 OD2 ASP A 91 18.160 64.946 -47.739 1.00 32.31 O1- ATOM 0 H ASP A 91 16.950 60.238 -45.330 1.00 14.33 H new ATOM 0 HA ASP A 91 16.284 61.769 -46.760 1.00 71.02 H new ATOM 0 HB2 ASP A 91 17.602 63.256 -45.225 1.00 34.34 H new ATOM 0 HB3 ASP A 91 18.975 63.104 -46.302 1.00 34.34 H new ATOM 1349 N GLY A 92 17.104 60.592 -48.835 1.00 75.32 N ATOM 1350 CA GLY A 92 17.433 60.240 -50.199 1.00 62.34 C ATOM 1351 C GLY A 92 18.447 59.118 -50.303 1.00 52.21 C ATOM 1352 O GLY A 92 18.119 58.016 -50.744 1.00 23.30 O ATOM 0 H GLY A 92 16.252 60.159 -48.478 1.00 75.32 H new ATOM 0 HA2 GLY A 92 16.522 59.946 -50.720 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.823 61.121 -50.710 1.00 62.34 H new ATOM 1356 N GLN A 93 19.675 59.388 -49.881 1.00 55.42 N ATOM 1357 CA GLN A 93 20.766 58.442 -50.066 1.00 43.03 C ATOM 1358 C GLN A 93 20.784 57.400 -48.954 1.00 53.23 C ATOM 1359 O GLN A 93 20.227 57.608 -47.874 1.00 62.41 O ATOM 1360 CB GLN A 93 22.107 59.179 -50.132 1.00 32.14 C ATOM 1361 CG GLN A 93 22.152 60.283 -51.184 1.00 62.32 C ATOM 1362 CD GLN A 93 22.467 59.794 -52.595 1.00 5.43 C ATOM 1363 OE1 GLN A 93 22.138 58.547 -52.902 1.00 25.23 O flip ATOM 1364 NE2 GLN A 93 23.016 60.539 -53.406 1.00 33.20 N flip ATOM 0 H GLN A 93 19.940 60.253 -49.409 1.00 55.42 H new ATOM 0 HA GLN A 93 20.606 57.923 -51.011 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.321 59.612 -49.155 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.897 58.458 -50.341 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.191 60.796 -51.196 1.00 62.32 H new ATOM 0 HG3 GLN A 93 22.902 61.018 -50.891 1.00 62.32 H new ATOM 0 HE21 GLN A 93 23.257 61.494 -53.140 1.00 33.20 H new ATOM 0 HE22 GLN A 93 23.230 60.202 -54.345 1.00 33.20 H new ATOM 1373 N LEU A 94 21.433 56.280 -49.225 1.00 22.14 N ATOM 1374 CA LEU A 94 21.428 55.150 -48.316 1.00 50.31 C ATOM 1375 C LEU A 94 22.840 54.592 -48.186 1.00 43.43 C ATOM 1376 O LEU A 94 23.542 54.432 -49.181 1.00 52.24 O ATOM 1377 CB LEU A 94 20.471 54.079 -48.857 1.00 41.23 C ATOM 1378 CG LEU A 94 19.923 53.065 -47.846 1.00 41.02 C ATOM 1379 CD1 LEU A 94 18.777 52.291 -48.476 1.00 1.43 C ATOM 1380 CD2 LEU A 94 21.004 52.101 -47.383 1.00 42.11 C ATOM 0 H LEU A 94 21.975 56.130 -50.076 1.00 22.14 H new ATOM 0 HA LEU A 94 21.089 55.465 -47.329 1.00 50.31 H new ATOM 0 HB2 LEU A 94 19.625 54.584 -49.324 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.987 53.529 -49.644 1.00 41.23 H new ATOM 0 HG LEU A 94 19.567 53.612 -46.973 1.00 41.02 H new ATOM 0 HD11 LEU A 94 18.387 51.570 -47.758 1.00 1.43 H new ATOM 0 HD12 LEU A 94 17.985 52.983 -48.763 1.00 1.43 H new ATOM 0 HD13 LEU A 94 19.136 51.764 -49.360 1.00 1.43 H new ATOM 0 HD21 LEU A 94 20.581 51.396 -46.667 1.00 42.11 H new ATOM 0 HD22 LEU A 94 21.396 51.555 -48.241 1.00 42.11 H new ATOM 0 HD23 LEU A 94 21.811 52.660 -46.908 1.00 42.11 H new ATOM 1392 N GLN A 95 23.259 54.322 -46.962 1.00 22.34 N ATOM 1393 CA GLN A 95 24.554 53.703 -46.713 1.00 52.10 C ATOM 1394 C GLN A 95 24.370 52.383 -45.975 1.00 55.53 C ATOM 1395 O GLN A 95 24.069 52.363 -44.781 1.00 20.22 O ATOM 1396 CB GLN A 95 25.458 54.637 -45.907 1.00 54.30 C ATOM 1397 CG GLN A 95 25.712 55.972 -46.590 1.00 4.25 C ATOM 1398 CD GLN A 95 26.682 56.859 -45.834 1.00 5.40 C ATOM 1399 OE1 GLN A 95 27.644 56.259 -45.152 1.00 14.41 O flip ATOM 1400 NE2 GLN A 95 26.575 58.084 -45.879 1.00 5.31 N flip ATOM 0 H GLN A 95 22.720 54.522 -46.120 1.00 22.34 H new ATOM 0 HA GLN A 95 25.032 53.510 -47.673 1.00 52.10 H new ATOM 0 HB2 GLN A 95 25.005 54.817 -44.932 1.00 54.30 H new ATOM 0 HB3 GLN A 95 26.412 54.142 -45.728 1.00 54.30 H new ATOM 0 HG2 GLN A 95 26.101 55.791 -47.592 1.00 4.25 H new ATOM 0 HG3 GLN A 95 24.765 56.498 -46.707 1.00 4.25 H new ATOM 0 HE21 GLN A 95 25.820 58.511 -46.416 1.00 5.31 H new ATOM 0 HE22 GLN A 95 27.242 58.673 -45.380 1.00 5.31 H new ATOM 1409 N LEU A 96 24.542 51.286 -46.691 1.00 75.11 N ATOM 1410 CA LEU A 96 24.355 49.967 -46.113 1.00 53.33 C ATOM 1411 C LEU A 96 25.624 49.526 -45.398 1.00 12.32 C ATOM 1412 O LEU A 96 26.645 49.259 -46.033 1.00 51.50 O ATOM 1413 CB LEU A 96 23.991 48.955 -47.201 1.00 11.23 C ATOM 1414 CG LEU A 96 23.629 47.559 -46.691 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.393 47.619 -45.804 1.00 12.31 C ATOM 1416 CD2 LEU A 96 23.405 46.607 -47.855 1.00 11.35 C ATOM 0 H LEU A 96 24.811 51.282 -47.675 1.00 75.11 H new ATOM 0 HA LEU A 96 23.538 50.015 -45.393 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.149 49.346 -47.773 1.00 11.23 H new ATOM 0 HB3 LEU A 96 24.831 48.867 -47.890 1.00 11.23 H new ATOM 0 HG LEU A 96 24.461 47.184 -46.096 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.150 46.617 -45.450 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.589 48.268 -44.950 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.554 48.015 -46.376 1.00 12.31 H new ATOM 0 HD21 LEU A 96 23.148 45.619 -47.473 1.00 11.35 H new ATOM 0 HD22 LEU A 96 22.590 46.978 -48.477 1.00 11.35 H new ATOM 0 HD23 LEU A 96 24.315 46.540 -48.451 1.00 11.35 H new ATOM 1428 N ASN A 97 25.565 49.474 -44.077 1.00 24.34 N ATOM 1429 CA ASN A 97 26.727 49.094 -43.287 1.00 24.31 C ATOM 1430 C ASN A 97 26.519 47.742 -42.615 1.00 43.41 C ATOM 1431 O ASN A 97 25.575 47.543 -41.850 1.00 33.42 O ATOM 1432 CB ASN A 97 27.061 50.179 -42.246 1.00 32.34 C ATOM 1433 CG ASN A 97 25.942 50.435 -41.252 1.00 4.11 C ATOM 1434 OD1 ASN A 97 25.885 49.819 -40.189 1.00 11.22 O ATOM 1435 ND2 ASN A 97 25.046 51.350 -41.591 1.00 2.51 N ATOM 0 H ASN A 97 24.731 49.689 -43.531 1.00 24.34 H new ATOM 0 HA ASN A 97 27.575 49.001 -43.965 1.00 24.31 H new ATOM 0 HB2 ASN A 97 27.958 49.884 -41.702 1.00 32.34 H new ATOM 0 HB3 ASN A 97 27.294 51.109 -42.765 1.00 32.34 H new ATOM 0 HD21 ASN A 97 24.274 51.565 -40.961 1.00 2.51 H new ATOM 0 HD22 ASN A 97 25.129 51.839 -42.482 1.00 2.51 H new ATOM 1442 N VAL A 98 27.383 46.797 -42.937 1.00 45.14 N ATOM 1443 CA VAL A 98 27.373 45.507 -42.267 1.00 72.02 C ATOM 1444 C VAL A 98 28.438 45.493 -41.174 1.00 15.31 C ATOM 1445 O VAL A 98 29.636 45.396 -41.443 1.00 42.35 O ATOM 1446 CB VAL A 98 27.573 44.327 -43.260 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.791 44.542 -44.141 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.680 43.001 -42.516 1.00 24.02 C ATOM 0 H VAL A 98 28.099 46.897 -43.656 1.00 45.14 H new ATOM 0 HA VAL A 98 26.391 45.366 -41.815 1.00 72.02 H new ATOM 0 HB VAL A 98 26.695 44.291 -43.905 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.901 43.698 -44.823 1.00 50.42 H new ATOM 0 HG12 VAL A 98 28.667 45.459 -44.716 1.00 50.42 H new ATOM 0 HG13 VAL A 98 29.681 44.623 -43.517 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.819 42.192 -43.233 1.00 24.02 H new ATOM 0 HG22 VAL A 98 28.531 43.033 -41.835 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.766 42.828 -41.947 1.00 24.02 H new ATOM 1458 N THR A 99 27.993 45.639 -39.942 1.00 13.53 N ATOM 1459 CA THR A 99 28.897 45.702 -38.811 1.00 63.52 C ATOM 1460 C THR A 99 29.322 44.306 -38.372 1.00 34.14 C ATOM 1461 O THR A 99 28.534 43.559 -37.789 1.00 52.04 O ATOM 1462 CB THR A 99 28.247 46.441 -37.623 1.00 15.12 C ATOM 1463 OG1 THR A 99 27.794 47.738 -38.043 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.229 46.589 -36.469 1.00 64.32 C ATOM 0 H THR A 99 27.006 45.717 -39.698 1.00 13.53 H new ATOM 0 HA THR A 99 29.780 46.256 -39.131 1.00 63.52 H new ATOM 0 HB THR A 99 27.397 45.852 -37.279 1.00 15.12 H new ATOM 0 HG1 THR A 99 26.904 47.659 -38.446 1.00 32.14 H new ATOM 0 HG21 THR A 99 28.745 47.113 -35.645 1.00 64.32 H new ATOM 0 HG22 THR A 99 29.548 45.602 -36.134 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.098 47.158 -36.801 1.00 64.32 H new ATOM 1472 N ASP A 100 30.559 43.955 -38.701 1.00 61.11 N ATOM 1473 CA ASP A 100 31.161 42.714 -38.233 1.00 23.41 C ATOM 1474 C ASP A 100 31.487 42.827 -36.752 1.00 63.40 C ATOM 1475 O ASP A 100 31.876 43.895 -36.276 1.00 62.23 O ATOM 1476 CB ASP A 100 32.434 42.414 -39.026 1.00 14.41 C ATOM 1477 CG ASP A 100 33.234 41.267 -38.443 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.449 41.442 -38.233 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.654 40.200 -38.164 1.00 11.31 O1- ATOM 0 H ASP A 100 31.168 44.518 -39.295 1.00 61.11 H new ATOM 0 HA ASP A 100 30.454 41.898 -38.383 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.167 42.178 -40.056 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.057 43.308 -39.055 1.00 14.41 H new ATOM 1484 N ARG A 101 31.326 41.733 -36.026 1.00 1.22 N ATOM 1485 CA ARG A 101 31.578 41.738 -34.597 1.00 70.42 C ATOM 1486 C ARG A 101 32.838 40.952 -34.250 1.00 41.44 C ATOM 1487 O ARG A 101 33.321 41.016 -33.120 1.00 3.54 O ATOM 1488 CB ARG A 101 30.391 41.154 -33.840 1.00 70.04 C ATOM 1489 CG ARG A 101 29.900 42.054 -32.718 1.00 12.41 C ATOM 1490 CD ARG A 101 29.401 41.244 -31.537 1.00 13.24 C ATOM 1491 NE ARG A 101 30.492 40.527 -30.877 1.00 14.53 N ATOM 1492 CZ ARG A 101 30.359 39.338 -30.301 1.00 32.32 C ATOM 1493 NH1 ARG A 101 29.203 38.699 -30.358 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 31.396 38.774 -29.693 1.00 52.25 N ATOM 0 H ARG A 101 31.023 40.834 -36.402 1.00 1.22 H new ATOM 0 HA ARG A 101 31.723 42.776 -34.297 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.574 40.976 -34.539 1.00 70.04 H new ATOM 0 HB3 ARG A 101 30.673 40.186 -33.425 1.00 70.04 H new ATOM 0 HG2 ARG A 101 30.709 42.710 -32.396 1.00 12.41 H new ATOM 0 HG3 ARG A 101 29.098 42.694 -33.087 1.00 12.41 H new ATOM 0 HD2 ARG A 101 28.914 41.906 -30.821 1.00 13.24 H new ATOM 0 HD3 ARG A 101 28.649 40.532 -31.875 1.00 13.24 H new ATOM 0 HE ARG A 101 31.412 40.968 -30.858 1.00 14.53 H new ATOM 0 HH11 ARG A 101 28.411 39.119 -30.845 1.00 20.33 H new ATOM 0 HH12 ARG A 101 29.103 37.786 -29.915 1.00 20.33 H new ATOM 0 HH21 ARG A 101 32.296 39.254 -29.668 1.00 52.25 H new ATOM 0 HH22 ARG A 101 31.293 37.861 -29.251 1.00 52.25 H new ATOM 1508 N LYS A 102 33.369 40.205 -35.207 1.00 25.22 N ATOM 1509 CA LYS A 102 34.569 39.419 -34.954 1.00 51.24 C ATOM 1510 C LYS A 102 35.811 40.295 -35.059 1.00 24.03 C ATOM 1511 O LYS A 102 36.594 40.391 -34.115 1.00 61.52 O ATOM 1512 CB LYS A 102 34.674 38.235 -35.923 1.00 63.24 C ATOM 1513 CG LYS A 102 33.546 37.222 -35.791 1.00 64.00 C ATOM 1514 CD LYS A 102 33.395 36.723 -34.362 1.00 42.35 C ATOM 1515 CE LYS A 102 32.430 35.547 -34.273 1.00 32.33 C ATOM 1516 NZ LYS A 102 31.104 35.859 -34.873 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.995 40.126 -36.153 1.00 25.22 H new ATOM 0 HA LYS A 102 34.500 39.022 -33.941 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.689 38.615 -36.944 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.625 37.728 -35.758 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.610 37.676 -36.118 1.00 64.00 H new ATOM 0 HG3 LYS A 102 33.738 36.377 -36.452 1.00 64.00 H new ATOM 0 HD2 LYS A 102 34.370 36.424 -33.977 1.00 42.35 H new ATOM 0 HD3 LYS A 102 33.038 37.535 -33.729 1.00 42.35 H new ATOM 0 HE2 LYS A 102 32.863 34.685 -34.781 1.00 32.33 H new ATOM 0 HE3 LYS A 102 32.297 35.267 -33.228 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 30.548 34.985 -34.959 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 30.597 36.533 -34.264 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 31.239 36.278 -35.815 1.00 73.14 H new ATOM 1530 N THR A 103 35.988 40.933 -36.203 1.00 32.11 N ATOM 1531 CA THR A 103 37.116 41.827 -36.405 1.00 65.25 C ATOM 1532 C THR A 103 36.646 43.277 -36.399 1.00 51.12 C ATOM 1533 O THR A 103 37.400 44.189 -36.055 1.00 72.12 O ATOM 1534 CB THR A 103 37.864 41.519 -37.722 1.00 3.51 C ATOM 1535 OG1 THR A 103 36.964 41.569 -38.844 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.515 40.146 -37.660 1.00 15.44 C ATOM 0 H THR A 103 35.365 40.849 -37.006 1.00 32.11 H new ATOM 0 HA THR A 103 37.813 41.668 -35.582 1.00 65.25 H new ATOM 0 HB THR A 103 38.636 42.277 -37.850 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.061 41.786 -38.530 1.00 71.14 H new ATOM 0 HG21 THR A 103 39.036 39.948 -38.596 1.00 15.44 H new ATOM 0 HG22 THR A 103 39.227 40.118 -36.835 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.749 39.387 -37.504 1.00 15.44 H new ATOM 1544 N GLY A 104 35.392 43.476 -36.783 1.00 65.24 N ATOM 1545 CA GLY A 104 34.791 44.792 -36.735 1.00 42.41 C ATOM 1546 C GLY A 104 34.956 45.555 -38.029 1.00 24.42 C ATOM 1547 O GLY A 104 34.853 46.783 -38.053 1.00 13.23 O ATOM 0 H GLY A 104 34.776 42.741 -37.130 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.729 44.694 -36.508 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.239 45.362 -35.922 1.00 42.41 H new ATOM 1551 N GLN A 105 35.216 44.829 -39.109 1.00 51.35 N ATOM 1552 CA GLN A 105 35.332 45.444 -40.422 1.00 72.04 C ATOM 1553 C GLN A 105 33.948 45.778 -40.955 1.00 12.40 C ATOM 1554 O GLN A 105 33.257 44.922 -41.508 1.00 64.30 O ATOM 1555 CB GLN A 105 36.065 44.522 -41.395 1.00 71.44 C ATOM 1556 CG GLN A 105 37.487 44.198 -40.973 1.00 11.23 C ATOM 1557 CD GLN A 105 38.204 43.323 -41.979 1.00 44.43 C ATOM 1558 OE1 GLN A 105 37.582 42.529 -42.688 1.00 42.45 O ATOM 1559 NE2 GLN A 105 39.518 43.448 -42.039 1.00 23.32 N ATOM 0 H GLN A 105 35.350 43.818 -39.101 1.00 51.35 H new ATOM 0 HA GLN A 105 35.913 46.361 -40.326 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.504 43.593 -41.494 1.00 71.44 H new ATOM 0 HB3 GLN A 105 36.085 44.989 -42.380 1.00 71.44 H new ATOM 0 HG2 GLN A 105 38.044 45.126 -40.841 1.00 11.23 H new ATOM 0 HG3 GLN A 105 37.470 43.696 -40.006 1.00 11.23 H new ATOM 0 HE21 GLN A 105 39.995 44.117 -41.435 1.00 23.32 H new ATOM 0 HE22 GLN A 105 40.056 42.875 -42.690 1.00 23.32 H new ATOM 1568 N THR A 106 33.538 47.015 -40.754 1.00 25.35 N ATOM 1569 CA THR A 106 32.216 47.449 -41.153 1.00 43.25 C ATOM 1570 C THR A 106 32.186 47.853 -42.618 1.00 44.11 C ATOM 1571 O THR A 106 32.470 49.002 -42.963 1.00 33.22 O ATOM 1572 CB THR A 106 31.737 48.621 -40.280 1.00 61.32 C ATOM 1573 OG1 THR A 106 32.740 49.645 -40.247 1.00 1.35 O ATOM 1574 CG2 THR A 106 31.442 48.149 -38.867 1.00 5.13 C ATOM 0 H THR A 106 34.106 47.740 -40.314 1.00 25.35 H new ATOM 0 HA THR A 106 31.541 46.605 -41.013 1.00 43.25 H new ATOM 0 HB THR A 106 30.821 49.023 -40.713 1.00 61.32 H new ATOM 0 HG1 THR A 106 33.036 49.843 -41.160 1.00 1.35 H new ATOM 0 HG21 THR A 106 31.104 48.992 -38.265 1.00 5.13 H new ATOM 0 HG22 THR A 106 30.663 47.387 -38.893 1.00 5.13 H new ATOM 0 HG23 THR A 106 32.346 47.728 -38.428 1.00 5.13 H new ATOM 1582 N SER A 107 31.870 46.898 -43.480 1.00 30.10 N ATOM 1583 CA SER A 107 31.745 47.176 -44.899 1.00 71.15 C ATOM 1584 C SER A 107 30.542 48.083 -45.126 1.00 42.21 C ATOM 1585 O SER A 107 29.397 47.638 -45.083 1.00 53.14 O ATOM 1586 CB SER A 107 31.600 45.877 -45.701 1.00 62.32 C ATOM 1587 OG SER A 107 31.564 46.133 -47.098 1.00 35.01 O ATOM 0 H SER A 107 31.696 45.927 -43.221 1.00 30.10 H new ATOM 0 HA SER A 107 32.649 47.678 -45.245 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.432 45.211 -45.473 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.688 45.361 -45.400 1.00 62.32 H new ATOM 0 HG SER A 107 31.473 45.287 -47.583 1.00 35.01 H new ATOM 1593 N THR A 108 30.809 49.362 -45.323 1.00 61.34 N ATOM 1594 CA THR A 108 29.758 50.336 -45.518 1.00 45.01 C ATOM 1595 C THR A 108 29.669 50.720 -46.986 1.00 51.14 C ATOM 1596 O THR A 108 30.540 51.417 -47.510 1.00 24.12 O ATOM 1597 CB THR A 108 30.007 51.589 -44.661 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.351 51.194 -43.326 1.00 42.23 O ATOM 1599 CG2 THR A 108 28.774 52.482 -44.630 1.00 12.31 C ATOM 0 H THR A 108 31.752 49.749 -45.352 1.00 61.34 H new ATOM 0 HA THR A 108 28.814 49.888 -45.207 1.00 45.01 H new ATOM 0 HB THR A 108 30.828 52.154 -45.103 1.00 51.54 H new ATOM 0 HG1 THR A 108 30.511 51.992 -42.780 1.00 42.23 H new ATOM 0 HG21 THR A 108 28.976 53.361 -44.018 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.526 52.796 -45.644 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.935 51.930 -44.206 1.00 12.31 H new ATOM 1607 N ILE A 109 28.626 50.243 -47.645 1.00 13.34 N ATOM 1608 CA ILE A 109 28.452 50.466 -49.068 1.00 55.11 C ATOM 1609 C ILE A 109 27.347 51.482 -49.313 1.00 14.15 C ATOM 1610 O ILE A 109 26.184 51.236 -48.986 1.00 1.14 O ATOM 1611 CB ILE A 109 28.103 49.154 -49.802 1.00 61.20 C ATOM 1612 CG1 ILE A 109 29.157 48.084 -49.504 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.998 49.395 -51.304 1.00 4.42 C ATOM 1614 CD1 ILE A 109 28.838 46.727 -50.096 1.00 12.41 C ATOM 0 H ILE A 109 27.883 49.695 -47.212 1.00 13.34 H new ATOM 0 HA ILE A 109 29.396 50.847 -49.458 1.00 55.11 H new ATOM 0 HB ILE A 109 27.137 48.800 -49.442 1.00 61.20 H new ATOM 0 HG12 ILE A 109 30.120 48.420 -49.888 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.262 47.983 -48.424 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.751 48.460 -51.806 1.00 4.42 H new ATOM 0 HG22 ILE A 109 27.217 50.129 -51.501 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.950 49.769 -51.680 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.631 46.024 -49.842 1.00 12.41 H new ATOM 0 HD12 ILE A 109 27.891 46.368 -49.693 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.762 46.812 -51.180 1.00 12.41 H new ATOM 1626 N GLN A 110 27.714 52.631 -49.853 1.00 42.43 N ATOM 1627 CA GLN A 110 26.732 53.629 -50.236 1.00 3.53 C ATOM 1628 C GLN A 110 25.889 53.103 -51.391 1.00 10.22 C ATOM 1629 O GLN A 110 26.401 52.834 -52.479 1.00 61.10 O ATOM 1630 CB GLN A 110 27.423 54.935 -50.618 1.00 51.25 C ATOM 1631 CG GLN A 110 28.142 55.588 -49.452 1.00 2.41 C ATOM 1632 CD GLN A 110 28.875 56.849 -49.849 1.00 4.14 C ATOM 1633 OE1 GLN A 110 28.312 57.942 -49.820 1.00 23.33 O ATOM 1634 NE2 GLN A 110 30.139 56.706 -50.207 1.00 32.10 N ATOM 0 H GLN A 110 28.682 52.895 -50.036 1.00 42.43 H new ATOM 0 HA GLN A 110 26.077 53.830 -49.389 1.00 3.53 H new ATOM 0 HB2 GLN A 110 28.139 54.741 -51.417 1.00 51.25 H new ATOM 0 HB3 GLN A 110 26.682 55.629 -51.016 1.00 51.25 H new ATOM 0 HG2 GLN A 110 27.419 55.824 -48.671 1.00 2.41 H new ATOM 0 HG3 GLN A 110 28.852 54.879 -49.026 1.00 2.41 H new ATOM 0 HE21 GLN A 110 30.565 55.779 -50.216 1.00 32.10 H new ATOM 0 HE22 GLN A 110 30.689 57.522 -50.474 1.00 32.10 H new ATOM 1643 N VAL A 111 24.599 52.951 -51.143 1.00 22.34 N ATOM 1644 CA VAL A 111 23.703 52.332 -52.099 1.00 74.24 C ATOM 1645 C VAL A 111 23.411 53.276 -53.257 1.00 21.00 C ATOM 1646 O VAL A 111 22.586 54.186 -53.153 1.00 75.11 O ATOM 1647 CB VAL A 111 22.383 51.894 -51.434 1.00 73.33 C ATOM 1648 CG1 VAL A 111 21.461 51.229 -52.442 1.00 13.23 C ATOM 1649 CG2 VAL A 111 22.662 50.958 -50.269 1.00 44.35 C ATOM 0 H VAL A 111 24.148 53.252 -50.279 1.00 22.34 H new ATOM 0 HA VAL A 111 24.203 51.443 -52.484 1.00 74.24 H new ATOM 0 HB VAL A 111 21.882 52.784 -51.054 1.00 73.33 H new ATOM 0 HG11 VAL A 111 20.537 50.929 -51.948 1.00 13.23 H new ATOM 0 HG12 VAL A 111 21.232 51.931 -53.244 1.00 13.23 H new ATOM 0 HG13 VAL A 111 21.951 50.349 -52.858 1.00 13.23 H new ATOM 0 HG21 VAL A 111 21.720 50.658 -49.810 1.00 44.35 H new ATOM 0 HG22 VAL A 111 23.188 50.074 -50.630 1.00 44.35 H new ATOM 0 HG23 VAL A 111 23.279 51.470 -49.530 1.00 44.35 H new