USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=13 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 95 GLN : amide:sc= -1.24! X(o=-1.4!,f=-1.8) USER MOD Set 1.2: A 97 ASN : amide:sc= -0.898 K(o=-1.4,f=-2.2) USER MOD Set 1.3: A 108 THR OG1 : rot -93:sc= 0.724 USER MOD Set 2.1: A 78 MET CE :methyl 163:sc= -0.0669 (180deg=-0.439) USER MOD Set 2.2: A 80 THR OG1 : rot -140:sc= 0 USER MOD Set 3.1: A 56 GLN : amide:sc= 1.16 K(o=-0.056,f=-5.6!) USER MOD Set 3.2: A 59 GLN : amide:sc= -1.21 K(o=-0.056,f=-6.3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 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) USER MOD Single : A 55 THR OG1 : rot -31:sc= 0.143 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 76:sc= 1.28 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.026) USER MOD Single : A 93 GLN : amide:sc= -1.88! K(o=-1.9!,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 9:sc= 1.25 USER MOD Single : A 105 GLN : amide:sc= -0.0615 X(o=-0.062,f=-0.036) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : 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 1.045 66.982 -16.568 1.00 65.21 N ATOM 660 CA GLU A 46 0.717 67.769 -17.756 1.00 41.54 C ATOM 661 C GLU A 46 0.868 69.259 -17.443 1.00 5.12 C ATOM 662 O GLU A 46 0.265 70.121 -18.084 1.00 43.23 O ATOM 663 CB GLU A 46 -0.693 67.430 -18.255 1.00 55.55 C ATOM 664 CG GLU A 46 -0.972 67.900 -19.672 1.00 14.53 C ATOM 665 CD GLU A 46 -2.307 67.412 -20.184 1.00 0.14 C ATOM 666 OE1 GLU A 46 -3.340 68.012 -19.821 1.00 65.32 O ATOM 667 OE2 GLU A 46 -2.330 66.422 -20.948 1.00 5.55 O1- ATOM 0 HA GLU A 46 1.410 67.520 -18.560 1.00 41.54 H new ATOM 0 HB2 GLU A 46 -0.836 66.351 -18.206 1.00 55.55 H new ATOM 0 HB3 GLU A 46 -1.424 67.879 -17.583 1.00 55.55 H new ATOM 0 HG2 GLU A 46 -0.950 68.989 -19.702 1.00 14.53 H new ATOM 0 HG3 GLU A 46 -0.180 67.546 -20.333 1.00 14.53 H new ATOM 674 N THR A 47 1.698 69.544 -16.449 1.00 53.34 N ATOM 675 CA THR A 47 2.038 70.907 -16.085 1.00 11.21 C ATOM 676 C THR A 47 3.512 71.157 -16.393 1.00 2.33 C ATOM 677 O THR A 47 4.373 70.954 -15.539 1.00 31.14 O ATOM 678 CB THR A 47 1.771 71.172 -14.588 1.00 14.13 C ATOM 679 OG1 THR A 47 0.485 70.655 -14.216 1.00 60.32 O ATOM 680 CG2 THR A 47 1.827 72.660 -14.278 1.00 31.14 C ATOM 0 H THR A 47 2.153 68.835 -15.874 1.00 53.34 H new ATOM 0 HA THR A 47 1.412 71.584 -16.665 1.00 11.21 H new ATOM 0 HB THR A 47 2.548 70.667 -14.014 1.00 14.13 H new ATOM 0 HG1 THR A 47 0.326 70.827 -13.264 1.00 60.32 H new ATOM 0 HG21 THR A 47 1.635 72.818 -13.217 1.00 31.14 H new ATOM 0 HG22 THR A 47 2.814 73.047 -14.530 1.00 31.14 H new ATOM 0 HG23 THR A 47 1.072 73.183 -14.865 1.00 31.14 H new ATOM 688 N PRO A 48 3.824 71.548 -17.640 1.00 63.35 N ATOM 689 CA PRO A 48 5.207 71.687 -18.103 1.00 21.13 C ATOM 690 C PRO A 48 5.966 72.807 -17.398 1.00 23.22 C ATOM 691 O PRO A 48 5.818 73.983 -17.729 1.00 30.10 O ATOM 692 CB PRO A 48 5.069 71.993 -19.602 1.00 72.10 C ATOM 693 CG PRO A 48 3.657 71.661 -19.950 1.00 2.42 C ATOM 694 CD PRO A 48 2.864 71.894 -18.699 1.00 3.12 C ATOM 0 HA PRO A 48 5.783 70.786 -17.891 1.00 21.13 H new ATOM 0 HB2 PRO A 48 5.288 73.040 -19.810 1.00 72.10 H new ATOM 0 HB3 PRO A 48 5.768 71.398 -20.190 1.00 72.10 H new ATOM 0 HG2 PRO A 48 3.297 72.289 -20.764 1.00 2.42 H new ATOM 0 HG3 PRO A 48 3.569 70.627 -20.282 1.00 2.42 H new ATOM 0 HD2 PRO A 48 2.528 72.928 -18.619 1.00 3.12 H new ATOM 0 HD3 PRO A 48 1.974 71.266 -18.660 1.00 3.12 H new ATOM 702 N SER A 49 6.761 72.431 -16.409 1.00 1.52 N ATOM 703 CA SER A 49 7.637 73.368 -15.729 1.00 71.45 C ATOM 704 C SER A 49 9.060 72.822 -15.718 1.00 5.40 C ATOM 705 O SER A 49 9.977 73.428 -16.272 1.00 55.33 O ATOM 706 CB SER A 49 7.142 73.617 -14.300 1.00 4.01 C ATOM 707 OG SER A 49 5.782 74.026 -14.298 1.00 52.25 O ATOM 0 H SER A 49 6.817 71.475 -16.058 1.00 1.52 H new ATOM 0 HA SER A 49 7.629 74.319 -16.262 1.00 71.45 H new ATOM 0 HB2 SER A 49 7.253 72.708 -13.709 1.00 4.01 H new ATOM 0 HB3 SER A 49 7.757 74.382 -13.826 1.00 4.01 H new ATOM 0 HG SER A 49 5.487 74.177 -13.376 1.00 52.25 H new ATOM 713 N ALA A 50 9.229 71.649 -15.121 1.00 4.34 N ATOM 714 CA ALA A 50 10.533 71.007 -15.058 1.00 71.23 C ATOM 715 C ALA A 50 10.835 70.296 -16.371 1.00 52.43 C ATOM 716 O ALA A 50 11.921 70.438 -16.932 1.00 63.35 O ATOM 717 CB ALA A 50 10.591 70.031 -13.891 1.00 52.42 C ATOM 0 H ALA A 50 8.478 71.124 -14.674 1.00 4.34 H new ATOM 0 HA ALA A 50 11.292 71.773 -14.899 1.00 71.23 H new ATOM 0 HB1 ALA A 50 11.573 69.560 -13.859 1.00 52.42 H new ATOM 0 HB2 ALA A 50 10.415 70.568 -12.959 1.00 52.42 H new ATOM 0 HB3 ALA A 50 9.826 69.265 -14.019 1.00 52.42 H new ATOM 723 N LEU A 51 9.856 69.549 -16.871 1.00 14.24 N ATOM 724 CA LEU A 51 10.016 68.829 -18.131 1.00 65.24 C ATOM 725 C LEU A 51 9.945 69.788 -19.315 1.00 54.11 C ATOM 726 O LEU A 51 10.301 69.430 -20.438 1.00 73.42 O ATOM 727 CB LEU A 51 8.955 67.730 -18.296 1.00 34.13 C ATOM 728 CG LEU A 51 7.516 68.217 -18.516 1.00 14.14 C ATOM 729 CD1 LEU A 51 6.734 67.206 -19.342 1.00 42.24 C ATOM 730 CD2 LEU A 51 6.817 68.449 -17.187 1.00 32.32 C ATOM 0 H LEU A 51 8.947 69.426 -16.426 1.00 14.24 H new ATOM 0 HA LEU A 51 10.998 68.357 -18.107 1.00 65.24 H new ATOM 0 HB2 LEU A 51 9.239 67.101 -19.140 1.00 34.13 H new ATOM 0 HB3 LEU A 51 8.973 67.098 -17.408 1.00 34.13 H new ATOM 0 HG LEU A 51 7.558 69.162 -19.058 1.00 14.14 H new ATOM 0 HD11 LEU A 51 5.716 67.566 -19.489 1.00 42.24 H new ATOM 0 HD12 LEU A 51 7.217 67.077 -20.311 1.00 42.24 H new ATOM 0 HD13 LEU A 51 6.709 66.250 -18.819 1.00 42.24 H new ATOM 0 HD21 LEU A 51 5.799 68.794 -17.367 1.00 32.32 H new ATOM 0 HD22 LEU A 51 6.790 67.517 -16.622 1.00 32.32 H new ATOM 0 HD23 LEU A 51 7.360 69.203 -16.617 1.00 32.32 H new ATOM 742 N ASP A 52 9.489 71.007 -19.054 1.00 2.23 N ATOM 743 CA ASP A 52 9.359 72.017 -20.097 1.00 12.25 C ATOM 744 C ASP A 52 10.722 72.352 -20.686 1.00 34.31 C ATOM 745 O ASP A 52 10.895 72.359 -21.902 1.00 33.15 O ATOM 746 CB ASP A 52 8.700 73.278 -19.539 1.00 5.20 C ATOM 747 CG ASP A 52 8.596 74.385 -20.574 1.00 62.52 C ATOM 748 OD1 ASP A 52 8.016 74.143 -21.653 1.00 12.41 O ATOM 749 OD2 ASP A 52 9.075 75.505 -20.306 1.00 63.02 O1- ATOM 0 H ASP A 52 9.202 71.321 -18.127 1.00 2.23 H new ATOM 0 HA ASP A 52 8.727 71.615 -20.889 1.00 12.25 H new ATOM 0 HB2 ASP A 52 7.703 73.032 -19.173 1.00 5.20 H new ATOM 0 HB3 ASP A 52 9.274 73.636 -18.684 1.00 5.20 H new ATOM 754 N ASN A 53 11.700 72.580 -19.819 1.00 61.25 N ATOM 755 CA ASN A 53 13.061 72.883 -20.258 1.00 42.12 C ATOM 756 C ASN A 53 13.797 71.610 -20.664 1.00 63.01 C ATOM 757 O ASN A 53 15.006 71.625 -20.886 1.00 23.25 O ATOM 758 CB ASN A 53 13.840 73.598 -19.151 1.00 44.53 C ATOM 759 CG ASN A 53 13.303 74.985 -18.855 1.00 73.01 C ATOM 760 OD1 ASN A 53 12.421 75.155 -18.012 1.00 72.42 O ATOM 761 ND2 ASN A 53 13.830 75.984 -19.547 1.00 31.23 N ATOM 0 H ASN A 53 11.579 72.561 -18.806 1.00 61.25 H new ATOM 0 HA ASN A 53 12.992 73.541 -21.125 1.00 42.12 H new ATOM 0 HB2 ASN A 53 13.804 72.998 -18.242 1.00 44.53 H new ATOM 0 HB3 ASN A 53 14.888 73.674 -19.441 1.00 44.53 H new ATOM 0 HD21 ASN A 53 13.507 76.939 -19.391 1.00 31.23 H new ATOM 0 HD22 ASN A 53 14.559 75.798 -20.236 1.00 31.23 H new ATOM 768 N PHE A 54 13.069 70.511 -20.756 1.00 22.14 N ATOM 769 CA PHE A 54 13.658 69.242 -21.138 1.00 43.23 C ATOM 770 C PHE A 54 13.195 68.839 -22.533 1.00 0.30 C ATOM 771 O PHE A 54 13.988 68.800 -23.472 1.00 51.31 O ATOM 772 CB PHE A 54 13.288 68.159 -20.118 1.00 64.13 C ATOM 773 CG PHE A 54 13.870 66.805 -20.417 1.00 32.43 C ATOM 774 CD1 PHE A 54 15.228 66.568 -20.255 1.00 20.25 C ATOM 775 CD2 PHE A 54 13.060 65.771 -20.850 1.00 52.44 C ATOM 776 CE1 PHE A 54 15.763 65.324 -20.524 1.00 74.25 C ATOM 777 CE2 PHE A 54 13.590 64.525 -21.122 1.00 41.13 C ATOM 778 CZ PHE A 54 14.942 64.300 -20.958 1.00 1.54 C ATOM 0 H PHE A 54 12.067 70.473 -20.571 1.00 22.14 H new ATOM 0 HA PHE A 54 14.742 69.351 -21.153 1.00 43.23 H new ATOM 0 HB2 PHE A 54 13.623 68.476 -19.131 1.00 64.13 H new ATOM 0 HB3 PHE A 54 12.202 68.073 -20.074 1.00 64.13 H new ATOM 0 HD1 PHE A 54 15.873 67.365 -19.915 1.00 20.25 H new ATOM 0 HD2 PHE A 54 12.001 65.940 -20.977 1.00 52.44 H new ATOM 0 HE1 PHE A 54 16.821 65.151 -20.396 1.00 74.25 H new ATOM 0 HE2 PHE A 54 12.947 63.727 -21.463 1.00 41.13 H new ATOM 0 HZ PHE A 54 15.358 63.326 -21.168 1.00 1.54 H new ATOM 788 N THR A 55 11.898 68.586 -22.677 1.00 75.41 N ATOM 789 CA THR A 55 11.356 68.071 -23.926 1.00 62.12 C ATOM 790 C THR A 55 11.313 69.144 -25.016 1.00 21.25 C ATOM 791 O THR A 55 11.232 68.824 -26.201 1.00 1.24 O ATOM 792 CB THR A 55 9.943 67.473 -23.729 1.00 4.21 C ATOM 793 OG1 THR A 55 9.494 66.851 -24.943 1.00 21.43 O ATOM 794 CG2 THR A 55 8.943 68.540 -23.308 1.00 4.31 C ATOM 0 H THR A 55 11.204 68.730 -21.943 1.00 75.41 H new ATOM 0 HA THR A 55 12.031 67.279 -24.250 1.00 62.12 H new ATOM 0 HB THR A 55 10.007 66.728 -22.936 1.00 4.21 H new ATOM 0 HG1 THR A 55 9.874 67.324 -25.713 1.00 21.43 H new ATOM 0 HG21 THR A 55 7.960 68.087 -23.178 1.00 4.31 H new ATOM 0 HG22 THR A 55 9.263 68.988 -22.367 1.00 4.31 H new ATOM 0 HG23 THR A 55 8.888 69.311 -24.077 1.00 4.31 H new ATOM 802 N GLN A 56 11.388 70.408 -24.623 1.00 32.54 N ATOM 803 CA GLN A 56 11.318 71.502 -25.584 1.00 40.22 C ATOM 804 C GLN A 56 12.626 71.625 -26.352 1.00 42.31 C ATOM 805 O GLN A 56 12.643 72.064 -27.499 1.00 33.50 O ATOM 806 CB GLN A 56 10.975 72.817 -24.887 1.00 24.31 C ATOM 807 CG GLN A 56 9.565 73.313 -25.187 1.00 3.12 C ATOM 808 CD GLN A 56 8.492 72.276 -24.904 1.00 23.51 C ATOM 809 OE1 GLN A 56 8.131 71.482 -25.778 1.00 22.43 O ATOM 810 NE2 GLN A 56 7.961 72.280 -23.692 1.00 51.20 N ATOM 0 H GLN A 56 11.497 70.701 -23.652 1.00 32.54 H new ATOM 0 HA GLN A 56 10.523 71.279 -26.295 1.00 40.22 H new ATOM 0 HB2 GLN A 56 11.085 72.688 -23.810 1.00 24.31 H new ATOM 0 HB3 GLN A 56 11.692 73.579 -25.192 1.00 24.31 H new ATOM 0 HG2 GLN A 56 9.366 74.204 -24.591 1.00 3.12 H new ATOM 0 HG3 GLN A 56 9.507 73.610 -26.234 1.00 3.12 H new ATOM 0 HE21 GLN A 56 8.285 72.951 -22.996 1.00 51.20 H new ATOM 0 HE22 GLN A 56 7.228 71.612 -23.454 1.00 51.20 H new ATOM 819 N ALA A 57 13.719 71.218 -25.723 1.00 43.12 N ATOM 820 CA ALA A 57 15.011 71.189 -26.393 1.00 74.22 C ATOM 821 C ALA A 57 15.109 69.947 -27.270 1.00 13.44 C ATOM 822 O ALA A 57 15.925 69.870 -28.188 1.00 44.41 O ATOM 823 CB ALA A 57 16.137 71.220 -25.374 1.00 32.32 C ATOM 0 H ALA A 57 13.737 70.904 -24.753 1.00 43.12 H new ATOM 0 HA ALA A 57 15.104 72.072 -27.026 1.00 74.22 H new ATOM 0 HB1 ALA A 57 17.096 71.198 -25.891 1.00 32.32 H new ATOM 0 HB2 ALA A 57 16.066 72.131 -24.781 1.00 32.32 H new ATOM 0 HB3 ALA A 57 16.058 70.353 -24.718 1.00 32.32 H new ATOM 829 N ILE A 58 14.251 68.977 -26.980 1.00 52.41 N ATOM 830 CA ILE A 58 14.213 67.736 -27.732 1.00 43.42 C ATOM 831 C ILE A 58 13.463 67.927 -29.044 1.00 42.32 C ATOM 832 O ILE A 58 13.755 67.268 -30.036 1.00 2.22 O ATOM 833 CB ILE A 58 13.541 66.609 -26.917 1.00 4.31 C ATOM 834 CG1 ILE A 58 14.254 66.439 -25.574 1.00 33.32 C ATOM 835 CG2 ILE A 58 13.531 65.301 -27.698 1.00 22.11 C ATOM 836 CD1 ILE A 58 13.776 65.244 -24.781 1.00 75.03 C ATOM 0 H ILE A 58 13.569 69.030 -26.223 1.00 52.41 H new ATOM 0 HA ILE A 58 15.243 67.449 -27.943 1.00 43.42 H new ATOM 0 HB ILE A 58 12.504 66.887 -26.729 1.00 4.31 H new ATOM 0 HG12 ILE A 58 15.325 66.342 -25.751 1.00 33.32 H new ATOM 0 HG13 ILE A 58 14.109 67.341 -24.979 1.00 33.32 H new ATOM 0 HG21 ILE A 58 13.052 64.525 -27.101 1.00 22.11 H new ATOM 0 HG22 ILE A 58 12.978 65.437 -28.628 1.00 22.11 H new ATOM 0 HG23 ILE A 58 14.555 65.005 -27.925 1.00 22.11 H new ATOM 0 HD11 ILE A 58 14.326 65.187 -23.842 1.00 75.03 H new ATOM 0 HD12 ILE A 58 12.711 65.348 -24.573 1.00 75.03 H new ATOM 0 HD13 ILE A 58 13.946 64.334 -25.356 1.00 75.03 H new ATOM 848 N GLN A 59 12.516 68.857 -29.046 1.00 20.32 N ATOM 849 CA GLN A 59 11.695 69.131 -30.225 1.00 43.14 C ATOM 850 C GLN A 59 12.566 69.405 -31.452 1.00 30.01 C ATOM 851 O GLN A 59 12.245 68.978 -32.563 1.00 22.32 O ATOM 852 CB GLN A 59 10.781 70.331 -29.959 1.00 0.24 C ATOM 853 CG GLN A 59 9.951 70.206 -28.687 1.00 33.03 C ATOM 854 CD GLN A 59 8.843 69.170 -28.781 1.00 32.54 C ATOM 855 OE1 GLN A 59 8.946 68.186 -29.510 1.00 24.13 O ATOM 856 NE2 GLN A 59 7.776 69.380 -28.023 1.00 51.23 N ATOM 0 H GLN A 59 12.294 69.440 -28.239 1.00 20.32 H new ATOM 0 HA GLN A 59 11.087 68.249 -30.427 1.00 43.14 H new ATOM 0 HB2 GLN A 59 11.391 71.232 -29.896 1.00 0.24 H new ATOM 0 HB3 GLN A 59 10.110 70.459 -30.808 1.00 0.24 H new ATOM 0 HG2 GLN A 59 10.609 69.947 -27.858 1.00 33.03 H new ATOM 0 HG3 GLN A 59 9.511 71.176 -28.454 1.00 33.03 H new ATOM 0 HE21 GLN A 59 7.726 70.209 -27.430 1.00 51.23 H new ATOM 0 HE22 GLN A 59 7.005 68.713 -28.032 1.00 51.23 H new ATOM 865 N SER A 60 13.681 70.096 -31.234 1.00 51.04 N ATOM 866 CA SER A 60 14.615 70.422 -32.304 1.00 11.41 C ATOM 867 C SER A 60 15.210 69.153 -32.919 1.00 54.31 C ATOM 868 O SER A 60 15.247 68.999 -34.143 1.00 71.15 O ATOM 869 CB SER A 60 15.726 71.324 -31.765 1.00 73.34 C ATOM 870 OG SER A 60 15.183 72.445 -31.082 1.00 3.51 O ATOM 0 H SER A 60 13.960 70.443 -30.317 1.00 51.04 H new ATOM 0 HA SER A 60 14.073 70.951 -33.087 1.00 11.41 H new ATOM 0 HB2 SER A 60 16.365 70.756 -31.089 1.00 73.34 H new ATOM 0 HB3 SER A 60 16.355 71.664 -32.588 1.00 73.34 H new ATOM 0 HG SER A 60 15.912 73.007 -30.744 1.00 3.51 H new ATOM 876 N GLN A 61 15.649 68.227 -32.070 1.00 30.10 N ATOM 877 CA GLN A 61 16.261 66.996 -32.557 1.00 24.42 C ATOM 878 C GLN A 61 15.200 66.011 -33.047 1.00 14.32 C ATOM 879 O GLN A 61 15.509 65.066 -33.766 1.00 1.12 O ATOM 880 CB GLN A 61 17.159 66.352 -31.491 1.00 64.21 C ATOM 881 CG GLN A 61 16.470 66.080 -30.166 1.00 32.32 C ATOM 882 CD GLN A 61 17.389 65.414 -29.162 1.00 64.01 C ATOM 883 OE1 GLN A 61 17.453 64.188 -29.082 1.00 52.54 O ATOM 884 NE2 GLN A 61 18.121 66.212 -28.400 1.00 61.52 N ATOM 0 H GLN A 61 15.593 68.304 -31.054 1.00 30.10 H new ATOM 0 HA GLN A 61 16.894 67.259 -33.404 1.00 24.42 H new ATOM 0 HB2 GLN A 61 17.549 65.412 -31.882 1.00 64.21 H new ATOM 0 HB3 GLN A 61 18.015 67.003 -31.314 1.00 64.21 H new ATOM 0 HG2 GLN A 61 16.103 67.019 -29.751 1.00 32.32 H new ATOM 0 HG3 GLN A 61 15.601 65.445 -30.336 1.00 32.32 H new ATOM 0 HE21 GLN A 61 18.040 67.224 -28.496 1.00 61.52 H new ATOM 0 HE22 GLN A 61 18.766 65.814 -27.717 1.00 61.52 H new ATOM 893 N ILE A 62 13.949 66.247 -32.667 1.00 25.21 N ATOM 894 CA ILE A 62 12.834 65.469 -33.193 1.00 60.23 C ATOM 895 C ILE A 62 12.601 65.845 -34.651 1.00 4.22 C ATOM 896 O ILE A 62 12.402 64.981 -35.505 1.00 73.53 O ATOM 897 CB ILE A 62 11.534 65.690 -32.381 1.00 31.41 C ATOM 898 CG1 ILE A 62 11.703 65.164 -30.954 1.00 75.12 C ATOM 899 CG2 ILE A 62 10.350 65.011 -33.060 1.00 11.33 C ATOM 900 CD1 ILE A 62 10.475 65.346 -30.083 1.00 54.33 C ATOM 0 H ILE A 62 13.682 66.969 -31.998 1.00 25.21 H new ATOM 0 HA ILE A 62 13.094 64.414 -33.111 1.00 60.23 H new ATOM 0 HB ILE A 62 11.335 66.761 -32.338 1.00 31.41 H new ATOM 0 HG12 ILE A 62 11.953 64.104 -30.995 1.00 75.12 H new ATOM 0 HG13 ILE A 62 12.546 65.673 -30.487 1.00 75.12 H new ATOM 0 HG21 ILE A 62 9.448 65.179 -32.472 1.00 11.33 H new ATOM 0 HG22 ILE A 62 10.215 65.427 -34.058 1.00 11.33 H new ATOM 0 HG23 ILE A 62 10.539 63.940 -33.136 1.00 11.33 H new ATOM 0 HD11 ILE A 62 10.673 64.949 -29.087 1.00 54.33 H new ATOM 0 HD12 ILE A 62 10.235 66.407 -30.009 1.00 54.33 H new ATOM 0 HD13 ILE A 62 9.633 64.813 -30.525 1.00 54.33 H new ATOM 912 N LEU A 63 12.654 67.143 -34.932 1.00 64.35 N ATOM 913 CA LEU A 63 12.535 67.635 -36.299 1.00 53.53 C ATOM 914 C LEU A 63 13.674 67.088 -37.154 1.00 34.31 C ATOM 915 O LEU A 63 13.469 66.685 -38.301 1.00 74.53 O ATOM 916 CB LEU A 63 12.550 69.165 -36.322 1.00 24.15 C ATOM 917 CG LEU A 63 11.395 69.841 -35.587 1.00 14.34 C ATOM 918 CD1 LEU A 63 11.545 71.351 -35.644 1.00 52.54 C ATOM 919 CD2 LEU A 63 10.061 69.420 -36.181 1.00 61.01 C ATOM 0 H LEU A 63 12.779 67.873 -34.231 1.00 64.35 H new ATOM 0 HA LEU A 63 11.586 67.291 -36.709 1.00 53.53 H new ATOM 0 HB2 LEU A 63 13.488 69.509 -35.885 1.00 24.15 H new ATOM 0 HB3 LEU A 63 12.541 69.496 -37.360 1.00 24.15 H new ATOM 0 HG LEU A 63 11.421 69.526 -34.544 1.00 14.34 H new ATOM 0 HD11 LEU A 63 10.714 71.819 -35.116 1.00 52.54 H new ATOM 0 HD12 LEU A 63 12.484 71.641 -35.173 1.00 52.54 H new ATOM 0 HD13 LEU A 63 11.544 71.678 -36.684 1.00 52.54 H new ATOM 0 HD21 LEU A 63 9.251 69.913 -35.643 1.00 61.01 H new ATOM 0 HD22 LEU A 63 10.025 69.705 -37.232 1.00 61.01 H new ATOM 0 HD23 LEU A 63 9.949 68.339 -36.094 1.00 61.01 H new ATOM 931 N GLY A 64 14.876 67.071 -36.580 1.00 54.14 N ATOM 932 CA GLY A 64 16.013 66.475 -37.256 1.00 43.53 C ATOM 933 C GLY A 64 15.835 64.981 -37.442 1.00 42.50 C ATOM 934 O GLY A 64 16.223 64.423 -38.469 1.00 45.41 O ATOM 0 H GLY A 64 15.081 67.460 -35.659 1.00 54.14 H new ATOM 0 HA2 GLY A 64 16.148 66.949 -38.228 1.00 43.53 H new ATOM 0 HA3 GLY A 64 16.919 66.665 -36.680 1.00 43.53 H new ATOM 938 N GLY A 65 15.241 64.335 -36.447 1.00 25.24 N ATOM 939 CA GLY A 65 14.948 62.919 -36.538 1.00 5.50 C ATOM 940 C GLY A 65 13.987 62.616 -37.666 1.00 33.53 C ATOM 941 O GLY A 65 14.127 61.603 -38.352 1.00 11.34 O ATOM 0 H GLY A 65 14.955 64.772 -35.571 1.00 25.24 H new ATOM 0 HA2 GLY A 65 15.874 62.365 -36.691 1.00 5.50 H new ATOM 0 HA3 GLY A 65 14.523 62.574 -35.595 1.00 5.50 H new ATOM 945 N LEU A 66 13.023 63.508 -37.868 1.00 53.33 N ATOM 946 CA LEU A 66 12.051 63.367 -38.945 1.00 72.23 C ATOM 947 C LEU A 66 12.746 63.263 -40.298 1.00 34.12 C ATOM 948 O LEU A 66 12.624 62.253 -40.988 1.00 33.03 O ATOM 949 CB LEU A 66 11.078 64.551 -38.948 1.00 31.31 C ATOM 950 CG LEU A 66 10.180 64.667 -37.715 1.00 64.21 C ATOM 951 CD1 LEU A 66 9.331 65.927 -37.798 1.00 22.03 C ATOM 952 CD2 LEU A 66 9.293 63.437 -37.580 1.00 65.03 C ATOM 0 H LEU A 66 12.894 64.342 -37.295 1.00 53.33 H new ATOM 0 HA LEU A 66 11.491 62.448 -38.772 1.00 72.23 H new ATOM 0 HB2 LEU A 66 11.653 65.472 -39.045 1.00 31.31 H new ATOM 0 HB3 LEU A 66 10.445 64.476 -39.832 1.00 31.31 H new ATOM 0 HG LEU A 66 10.814 64.731 -36.831 1.00 64.21 H new ATOM 0 HD11 LEU A 66 8.697 65.997 -36.914 1.00 22.03 H new ATOM 0 HD12 LEU A 66 9.981 66.801 -37.849 1.00 22.03 H new ATOM 0 HD13 LEU A 66 8.707 65.887 -38.691 1.00 22.03 H new ATOM 0 HD21 LEU A 66 8.662 63.539 -36.697 1.00 65.03 H new ATOM 0 HD22 LEU A 66 8.665 63.342 -38.466 1.00 65.03 H new ATOM 0 HD23 LEU A 66 9.916 62.548 -37.480 1.00 65.03 H new ATOM 964 N LEU A 67 13.515 64.286 -40.655 1.00 53.21 N ATOM 965 CA LEU A 67 14.163 64.331 -41.966 1.00 64.45 C ATOM 966 C LEU A 67 15.208 63.224 -42.120 1.00 60.43 C ATOM 967 O LEU A 67 15.708 62.977 -43.215 1.00 44.24 O ATOM 968 CB LEU A 67 14.776 65.720 -42.215 1.00 51.43 C ATOM 969 CG LEU A 67 15.766 66.231 -41.157 1.00 3.00 C ATOM 970 CD1 LEU A 67 17.161 65.669 -41.393 1.00 70.32 C ATOM 971 CD2 LEU A 67 15.797 67.752 -41.154 1.00 22.21 C ATOM 0 H LEU A 67 13.706 65.092 -40.060 1.00 53.21 H new ATOM 0 HA LEU A 67 13.400 64.153 -42.723 1.00 64.45 H new ATOM 0 HB2 LEU A 67 15.286 65.700 -43.178 1.00 51.43 H new ATOM 0 HB3 LEU A 67 13.963 66.442 -42.299 1.00 51.43 H new ATOM 0 HG LEU A 67 15.427 65.885 -40.181 1.00 3.00 H new ATOM 0 HD11 LEU A 67 17.840 66.048 -40.629 1.00 70.32 H new ATOM 0 HD12 LEU A 67 17.128 64.581 -41.342 1.00 70.32 H new ATOM 0 HD13 LEU A 67 17.515 65.975 -42.377 1.00 70.32 H new ATOM 0 HD21 LEU A 67 16.503 68.100 -40.400 1.00 22.21 H new ATOM 0 HD22 LEU A 67 16.108 68.112 -42.135 1.00 22.21 H new ATOM 0 HD23 LEU A 67 14.803 68.136 -40.925 1.00 22.21 H new ATOM 983 N SER A 68 15.525 62.551 -41.025 1.00 40.32 N ATOM 984 CA SER A 68 16.480 61.462 -41.064 1.00 11.31 C ATOM 985 C SER A 68 15.775 60.111 -41.193 1.00 75.02 C ATOM 986 O SER A 68 16.157 59.279 -42.018 1.00 75.11 O ATOM 987 CB SER A 68 17.347 61.483 -39.807 1.00 0.14 C ATOM 988 OG SER A 68 17.993 62.735 -39.652 1.00 4.11 O ATOM 0 H SER A 68 15.135 62.741 -40.102 1.00 40.32 H new ATOM 0 HA SER A 68 17.113 61.597 -41.941 1.00 11.31 H new ATOM 0 HB2 SER A 68 16.729 61.278 -38.932 1.00 0.14 H new ATOM 0 HB3 SER A 68 18.093 60.690 -39.863 1.00 0.14 H new ATOM 0 HG SER A 68 17.347 63.399 -39.332 1.00 4.11 H new ATOM 994 N ASN A 69 14.738 59.899 -40.390 1.00 22.22 N ATOM 995 CA ASN A 69 14.094 58.591 -40.313 1.00 3.21 C ATOM 996 C ASN A 69 12.923 58.460 -41.287 1.00 33.23 C ATOM 997 O ASN A 69 12.623 57.360 -41.750 1.00 41.32 O ATOM 998 CB ASN A 69 13.616 58.324 -38.883 1.00 53.44 C ATOM 999 CG ASN A 69 12.895 56.994 -38.743 1.00 25.14 C ATOM 1000 OD1 ASN A 69 11.676 56.922 -38.871 1.00 41.35 O ATOM 1001 ND2 ASN A 69 13.643 55.934 -38.477 1.00 2.13 N ATOM 0 H ASN A 69 14.327 60.611 -39.786 1.00 22.22 H new ATOM 0 HA ASN A 69 14.839 57.848 -40.598 1.00 3.21 H new ATOM 0 HB2 ASN A 69 14.473 58.341 -38.209 1.00 53.44 H new ATOM 0 HB3 ASN A 69 12.950 59.128 -38.571 1.00 53.44 H new ATOM 0 HD21 ASN A 69 13.209 55.017 -38.371 1.00 2.13 H new ATOM 0 HD22 ASN A 69 14.653 56.035 -38.378 1.00 2.13 H new ATOM 1008 N ILE A 70 12.293 59.577 -41.639 1.00 71.41 N ATOM 1009 CA ILE A 70 11.146 59.546 -42.550 1.00 54.25 C ATOM 1010 C ILE A 70 11.585 59.102 -43.948 1.00 15.54 C ATOM 1011 O ILE A 70 10.783 58.615 -44.745 1.00 23.53 O ATOM 1012 CB ILE A 70 10.428 60.921 -42.615 1.00 3.10 C ATOM 1013 CG1 ILE A 70 9.798 61.253 -41.256 1.00 23.53 C ATOM 1014 CG2 ILE A 70 9.365 60.949 -43.709 1.00 12.32 C ATOM 1015 CD1 ILE A 70 8.783 60.231 -40.782 1.00 42.43 C ATOM 0 H ILE A 70 12.552 60.508 -41.313 1.00 71.41 H new ATOM 0 HA ILE A 70 10.432 58.821 -42.158 1.00 54.25 H new ATOM 0 HB ILE A 70 11.176 61.676 -42.859 1.00 3.10 H new ATOM 0 HG12 ILE A 70 10.589 61.337 -40.511 1.00 23.53 H new ATOM 0 HG13 ILE A 70 9.315 62.228 -41.319 1.00 23.53 H new ATOM 0 HG21 ILE A 70 8.884 61.927 -43.724 1.00 12.32 H new ATOM 0 HG22 ILE A 70 9.832 60.759 -44.675 1.00 12.32 H new ATOM 0 HG23 ILE A 70 8.618 60.180 -43.510 1.00 12.32 H new ATOM 0 HD11 ILE A 70 8.383 60.537 -39.815 1.00 42.43 H new ATOM 0 HD12 ILE A 70 7.970 60.163 -41.505 1.00 42.43 H new ATOM 0 HD13 ILE A 70 9.265 59.258 -40.684 1.00 42.43 H new ATOM 1129 N MET A 78 18.558 45.369 -38.885 1.00 12.00 N ATOM 1130 CA MET A 78 18.263 43.952 -38.790 1.00 2.03 C ATOM 1131 C MET A 78 19.234 43.291 -37.822 1.00 70.13 C ATOM 1132 O MET A 78 20.424 43.147 -38.120 1.00 44.34 O ATOM 1133 CB MET A 78 18.347 43.296 -40.168 1.00 63.14 C ATOM 1134 CG MET A 78 17.922 41.834 -40.169 1.00 52.15 C ATOM 1135 SD MET A 78 17.924 41.111 -41.822 1.00 73.31 S ATOM 1136 CE MET A 78 19.667 41.196 -42.223 1.00 35.54 C ATOM 0 HA MET A 78 17.248 43.823 -38.415 1.00 2.03 H new ATOM 0 HB2 MET A 78 17.718 43.850 -40.865 1.00 63.14 H new ATOM 0 HB3 MET A 78 19.371 43.369 -40.535 1.00 63.14 H new ATOM 0 HG2 MET A 78 18.593 41.264 -39.527 1.00 52.15 H new ATOM 0 HG3 MET A 78 16.923 41.750 -39.741 1.00 52.15 H new ATOM 0 HE1 MET A 78 19.881 40.531 -43.060 1.00 35.54 H new ATOM 0 HE2 MET A 78 19.928 42.218 -42.496 1.00 35.54 H new ATOM 0 HE3 MET A 78 20.255 40.891 -41.357 1.00 35.54 H new ATOM 1146 N VAL A 79 18.730 42.916 -36.657 1.00 63.22 N ATOM 1147 CA VAL A 79 19.567 42.339 -35.617 1.00 53.31 C ATOM 1148 C VAL A 79 19.954 40.902 -35.959 1.00 34.33 C ATOM 1149 O VAL A 79 19.149 39.978 -35.839 1.00 23.05 O ATOM 1150 CB VAL A 79 18.867 42.384 -34.241 1.00 51.15 C ATOM 1151 CG1 VAL A 79 19.754 41.781 -33.159 1.00 62.34 C ATOM 1152 CG2 VAL A 79 18.489 43.812 -33.883 1.00 20.14 C ATOM 0 H VAL A 79 17.745 43.001 -36.408 1.00 63.22 H new ATOM 0 HA VAL A 79 20.474 42.941 -35.561 1.00 53.31 H new ATOM 0 HB VAL A 79 17.956 41.788 -34.304 1.00 51.15 H new ATOM 0 HG11 VAL A 79 19.238 41.825 -32.200 1.00 62.34 H new ATOM 0 HG12 VAL A 79 19.974 40.742 -33.406 1.00 62.34 H new ATOM 0 HG13 VAL A 79 20.685 42.344 -33.096 1.00 62.34 H new ATOM 0 HG21 VAL A 79 17.997 43.825 -32.911 1.00 20.14 H new ATOM 0 HG22 VAL A 79 19.388 44.427 -33.843 1.00 20.14 H new ATOM 0 HG23 VAL A 79 17.811 44.209 -34.638 1.00 20.14 H new ATOM 1162 N THR A 80 21.187 40.739 -36.411 1.00 24.24 N ATOM 1163 CA THR A 80 21.722 39.432 -36.749 1.00 43.31 C ATOM 1164 C THR A 80 22.960 39.158 -35.897 1.00 22.22 C ATOM 1165 O THR A 80 23.743 40.070 -35.628 1.00 20.53 O ATOM 1166 CB THR A 80 22.072 39.365 -38.250 1.00 4.42 C ATOM 1167 OG1 THR A 80 20.966 39.854 -39.019 1.00 23.43 O ATOM 1168 CG2 THR A 80 22.398 37.943 -38.677 1.00 23.11 C ATOM 0 H THR A 80 21.843 41.507 -36.553 1.00 24.24 H new ATOM 0 HA THR A 80 20.970 38.670 -36.544 1.00 43.31 H new ATOM 0 HB THR A 80 22.952 39.983 -38.425 1.00 4.42 H new ATOM 0 HG1 THR A 80 20.854 39.300 -39.819 1.00 23.43 H new ATOM 0 HG21 THR A 80 22.640 37.929 -39.740 1.00 23.11 H new ATOM 0 HG22 THR A 80 23.251 37.578 -38.105 1.00 23.11 H new ATOM 0 HG23 THR A 80 21.536 37.301 -38.493 1.00 23.11 H new ATOM 1176 N ASN A 81 23.125 37.913 -35.466 1.00 12.13 N ATOM 1177 CA ASN A 81 24.200 37.556 -34.541 1.00 13.33 C ATOM 1178 C ASN A 81 25.558 37.630 -35.225 1.00 53.52 C ATOM 1179 O ASN A 81 26.555 38.014 -34.612 1.00 72.31 O ATOM 1180 CB ASN A 81 23.994 36.139 -33.993 1.00 31.34 C ATOM 1181 CG ASN A 81 22.664 35.952 -33.283 1.00 23.22 C ATOM 1182 OD1 ASN A 81 22.125 36.877 -32.670 1.00 55.05 O ATOM 1183 ND2 ASN A 81 22.124 34.745 -33.365 1.00 51.02 N ATOM 0 H ASN A 81 22.529 37.132 -35.741 1.00 12.13 H new ATOM 0 HA ASN A 81 24.174 38.272 -33.720 1.00 13.33 H new ATOM 0 HB2 ASN A 81 24.061 35.427 -34.815 1.00 31.34 H new ATOM 0 HB3 ASN A 81 24.803 35.904 -33.301 1.00 31.34 H new ATOM 0 HD21 ASN A 81 21.231 34.554 -32.911 1.00 51.02 H new ATOM 0 HD22 ASN A 81 22.602 34.007 -33.882 1.00 51.02 H new ATOM 1190 N ASP A 82 25.589 37.252 -36.491 1.00 32.11 N ATOM 1191 CA ASP A 82 26.837 37.199 -37.244 1.00 24.13 C ATOM 1192 C ASP A 82 27.221 38.567 -37.782 1.00 61.51 C ATOM 1193 O ASP A 82 28.393 38.934 -37.783 1.00 75.51 O ATOM 1194 CB ASP A 82 26.721 36.202 -38.394 1.00 23.52 C ATOM 1195 CG ASP A 82 26.688 34.767 -37.919 1.00 72.21 C ATOM 1196 OD1 ASP A 82 25.619 34.307 -37.456 1.00 63.25 O ATOM 1197 OD2 ASP A 82 27.727 34.082 -38.014 1.00 30.43 O1- ATOM 0 H ASP A 82 24.764 36.976 -37.023 1.00 32.11 H new ATOM 0 HA ASP A 82 27.621 36.872 -36.561 1.00 24.13 H new ATOM 0 HB2 ASP A 82 25.816 36.413 -38.963 1.00 23.52 H new ATOM 0 HB3 ASP A 82 27.563 36.337 -39.073 1.00 23.52 H new ATOM 1202 N TYR A 83 26.239 39.315 -38.254 1.00 2.10 N ATOM 1203 CA TYR A 83 26.484 40.642 -38.799 1.00 61.22 C ATOM 1204 C TYR A 83 25.384 41.597 -38.369 1.00 25.13 C ATOM 1205 O TYR A 83 24.211 41.371 -38.659 1.00 35.42 O ATOM 1206 CB TYR A 83 26.553 40.598 -40.332 1.00 22.35 C ATOM 1207 CG TYR A 83 27.860 40.062 -40.885 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.107 38.697 -40.960 1.00 54.31 C ATOM 1209 CD2 TYR A 83 28.846 40.931 -41.333 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.301 38.215 -41.465 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.042 40.458 -41.840 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.266 39.099 -41.902 1.00 0.23 C ATOM 1213 OH TYR A 83 31.455 38.621 -42.413 1.00 35.22 O ATOM 0 H TYR A 83 25.261 39.026 -38.271 1.00 2.10 H new ATOM 0 HA TYR A 83 27.441 40.994 -38.414 1.00 61.22 H new ATOM 0 HB2 TYR A 83 25.735 39.980 -40.703 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.394 41.604 -40.720 1.00 22.35 H new ATOM 0 HD1 TYR A 83 27.355 38.001 -40.619 1.00 54.31 H new ATOM 0 HD2 TYR A 83 28.675 41.996 -41.284 1.00 61.31 H new ATOM 0 HE1 TYR A 83 29.477 37.151 -41.517 1.00 54.50 H new ATOM 0 HE2 TYR A 83 30.797 41.149 -42.186 1.00 43.02 H new ATOM 0 HH TYR A 83 32.024 39.374 -42.676 1.00 35.22 H new ATOM 1223 N ILE A 84 25.756 42.660 -37.677 1.00 71.04 N ATOM 1224 CA ILE A 84 24.781 43.648 -37.250 1.00 33.43 C ATOM 1225 C ILE A 84 24.531 44.626 -38.391 1.00 24.33 C ATOM 1226 O ILE A 84 25.329 45.533 -38.643 1.00 13.30 O ATOM 1227 CB ILE A 84 25.221 44.422 -35.982 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.474 43.472 -34.805 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.170 45.454 -35.599 1.00 63.41 C ATOM 1230 CD1 ILE A 84 26.815 42.763 -34.856 1.00 21.15 C ATOM 0 H ILE A 84 26.717 42.860 -37.401 1.00 71.04 H new ATOM 0 HA ILE A 84 23.866 43.115 -36.990 1.00 33.43 H new ATOM 0 HB ILE A 84 26.156 44.931 -36.214 1.00 35.11 H new ATOM 0 HG12 ILE A 84 25.410 44.038 -33.876 1.00 70.51 H new ATOM 0 HG13 ILE A 84 24.681 42.725 -34.779 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.494 45.989 -34.706 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.039 46.161 -36.418 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.224 44.952 -35.398 1.00 63.41 H new ATOM 0 HD11 ILE A 84 26.915 42.111 -33.988 1.00 21.15 H new ATOM 0 HD12 ILE A 84 26.877 42.167 -35.767 1.00 21.15 H new ATOM 0 HD13 ILE A 84 27.617 43.501 -34.849 1.00 21.15 H new ATOM 1242 N VAL A 85 23.436 44.410 -39.099 1.00 45.21 N ATOM 1243 CA VAL A 85 23.121 45.194 -40.279 1.00 41.00 C ATOM 1244 C VAL A 85 22.274 46.410 -39.920 1.00 52.13 C ATOM 1245 O VAL A 85 21.088 46.286 -39.607 1.00 43.50 O ATOM 1246 CB VAL A 85 22.370 44.341 -41.323 1.00 62.43 C ATOM 1247 CG1 VAL A 85 22.068 45.150 -42.572 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.171 43.096 -41.675 1.00 64.33 C ATOM 0 H VAL A 85 22.746 43.693 -38.874 1.00 45.21 H new ATOM 0 HA VAL A 85 24.066 45.532 -40.705 1.00 41.00 H new ATOM 0 HB VAL A 85 21.422 44.030 -40.884 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.539 44.525 -43.291 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.447 46.007 -42.309 1.00 1.04 H new ATOM 0 HG13 VAL A 85 23.001 45.500 -43.013 1.00 1.04 H new ATOM 0 HG21 VAL A 85 22.624 42.508 -42.412 1.00 64.33 H new ATOM 0 HG22 VAL A 85 24.136 43.389 -42.088 1.00 64.33 H new ATOM 0 HG23 VAL A 85 23.327 42.498 -40.777 1.00 64.33 H new ATOM 1258 N ASP A 86 22.892 47.581 -39.957 1.00 31.13 N ATOM 1259 CA ASP A 86 22.187 48.828 -39.706 1.00 20.21 C ATOM 1260 C ASP A 86 21.971 49.568 -41.018 1.00 24.31 C ATOM 1261 O ASP A 86 22.925 49.856 -41.745 1.00 74.51 O ATOM 1262 CB ASP A 86 22.971 49.702 -38.725 1.00 4.42 C ATOM 1263 CG ASP A 86 22.259 51.004 -38.414 1.00 33.31 C ATOM 1264 OD1 ASP A 86 21.269 50.982 -37.650 1.00 21.44 O ATOM 1265 OD2 ASP A 86 22.693 52.062 -38.914 1.00 45.22 O1- ATOM 0 H ASP A 86 23.885 47.693 -40.160 1.00 31.13 H new ATOM 0 HA ASP A 86 21.218 48.601 -39.260 1.00 20.21 H new ATOM 0 HB2 ASP A 86 23.133 49.149 -37.799 1.00 4.42 H new ATOM 0 HB3 ASP A 86 23.954 49.919 -39.142 1.00 4.42 H new ATOM 1270 N ILE A 87 20.721 49.859 -41.326 1.00 70.13 N ATOM 1271 CA ILE A 87 20.373 50.481 -42.591 1.00 11.31 C ATOM 1272 C ILE A 87 20.121 51.970 -42.402 1.00 5.45 C ATOM 1273 O ILE A 87 19.212 52.365 -41.672 1.00 31.44 O ATOM 1274 CB ILE A 87 19.118 49.831 -43.218 1.00 73.15 C ATOM 1275 CG1 ILE A 87 19.316 48.317 -43.350 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.824 50.455 -44.578 1.00 33.35 C ATOM 1277 CD1 ILE A 87 18.110 47.589 -43.907 1.00 31.30 C ATOM 0 H ILE A 87 19.926 49.674 -40.715 1.00 70.13 H new ATOM 0 HA ILE A 87 21.216 50.333 -43.265 1.00 11.31 H new ATOM 0 HB ILE A 87 18.264 50.012 -42.565 1.00 73.15 H new ATOM 0 HG12 ILE A 87 20.173 48.127 -43.996 1.00 41.53 H new ATOM 0 HG13 ILE A 87 19.557 47.905 -42.370 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.938 49.988 -45.009 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.649 51.524 -44.458 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.675 50.299 -45.241 1.00 33.35 H new ATOM 0 HD11 ILE A 87 18.326 46.523 -43.971 1.00 31.30 H new ATOM 0 HD12 ILE A 87 17.254 47.747 -43.251 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.880 47.973 -44.901 1.00 31.30 H new ATOM 1289 N ALA A 88 20.926 52.788 -43.057 1.00 34.53 N ATOM 1290 CA ALA A 88 20.770 54.227 -42.978 1.00 21.21 C ATOM 1291 C ALA A 88 20.327 54.789 -44.320 1.00 23.43 C ATOM 1292 O ALA A 88 21.152 55.135 -45.170 1.00 54.14 O ATOM 1293 CB ALA A 88 22.063 54.884 -42.523 1.00 40.44 C ATOM 0 H ALA A 88 21.696 52.478 -43.650 1.00 34.53 H new ATOM 0 HA ALA A 88 19.998 54.448 -42.240 1.00 21.21 H new ATOM 0 HB1 ALA A 88 21.924 55.964 -42.471 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.337 54.505 -41.538 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.857 54.655 -43.233 1.00 40.44 H new ATOM 1299 N ASN A 89 19.024 54.836 -44.533 1.00 52.24 N ATOM 1300 CA ASN A 89 18.480 55.445 -45.733 1.00 21.13 C ATOM 1301 C ASN A 89 18.106 56.885 -45.436 1.00 22.12 C ATOM 1302 O ASN A 89 16.984 57.180 -45.024 1.00 62.21 O ATOM 1303 CB ASN A 89 17.264 54.674 -46.256 1.00 44.43 C ATOM 1304 CG ASN A 89 16.709 55.250 -47.552 1.00 51.24 C ATOM 1305 OD1 ASN A 89 15.510 55.169 -47.817 1.00 34.21 O ATOM 1306 ND2 ASN A 89 17.573 55.832 -48.375 1.00 52.10 N ATOM 0 H ASN A 89 18.325 54.461 -43.892 1.00 52.24 H new ATOM 0 HA ASN A 89 19.242 55.415 -46.512 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.542 53.633 -46.417 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.482 54.681 -45.497 1.00 44.43 H new ATOM 0 HD21 ASN A 89 17.249 56.229 -49.257 1.00 52.10 H new ATOM 0 HD22 ASN A 89 18.561 55.882 -48.125 1.00 52.10 H new ATOM 1313 N ARG A 90 19.068 57.772 -45.614 1.00 34.23 N ATOM 1314 CA ARG A 90 18.884 59.183 -45.313 1.00 61.53 C ATOM 1315 C ARG A 90 19.352 60.025 -46.492 1.00 14.51 C ATOM 1316 O ARG A 90 20.320 59.663 -47.162 1.00 31.12 O ATOM 1317 CB ARG A 90 19.683 59.557 -44.060 1.00 1.00 C ATOM 1318 CG ARG A 90 19.481 60.994 -43.599 1.00 75.44 C ATOM 1319 CD ARG A 90 20.479 61.376 -42.515 1.00 14.21 C ATOM 1320 NE ARG A 90 21.852 61.419 -43.022 1.00 45.22 N ATOM 1321 CZ ARG A 90 22.919 61.685 -42.267 1.00 45.51 C ATOM 1322 NH1 ARG A 90 22.776 61.892 -40.964 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 24.124 61.754 -42.815 1.00 21.12 N ATOM 0 H ARG A 90 19.995 57.538 -45.969 1.00 34.23 H new ATOM 0 HA ARG A 90 17.826 59.375 -45.132 1.00 61.53 H new ATOM 0 HB2 ARG A 90 19.403 58.884 -43.249 1.00 1.00 H new ATOM 0 HB3 ARG A 90 20.743 59.396 -44.257 1.00 1.00 H new ATOM 0 HG2 ARG A 90 19.589 61.669 -44.448 1.00 75.44 H new ATOM 0 HG3 ARG A 90 18.466 61.117 -43.221 1.00 75.44 H new ATOM 0 HD2 ARG A 90 20.213 62.351 -42.105 1.00 14.21 H new ATOM 0 HD3 ARG A 90 20.417 60.659 -41.697 1.00 14.21 H new ATOM 0 HE ARG A 90 22.002 61.234 -44.014 1.00 45.22 H new ATOM 0 HH11 ARG A 90 21.850 61.848 -40.539 1.00 34.45 H new ATOM 0 HH12 ARG A 90 23.592 62.095 -40.387 1.00 34.45 H new ATOM 0 HH21 ARG A 90 24.238 61.603 -43.817 1.00 21.12 H new ATOM 0 HH22 ARG A 90 24.937 61.958 -42.234 1.00 21.12 H new ATOM 1337 N ASP A 91 18.640 61.121 -46.756 1.00 14.33 N ATOM 1338 CA ASP A 91 19.035 62.091 -47.781 1.00 71.02 C ATOM 1339 C ASP A 91 18.968 61.461 -49.176 1.00 43.52 C ATOM 1340 O ASP A 91 19.627 61.903 -50.116 1.00 61.51 O ATOM 1341 CB ASP A 91 20.443 62.622 -47.473 1.00 34.34 C ATOM 1342 CG ASP A 91 20.874 63.756 -48.380 1.00 2.00 C ATOM 1343 OD1 ASP A 91 20.152 64.774 -48.455 1.00 21.24 O ATOM 1344 OD2 ASP A 91 21.957 63.651 -48.988 1.00 32.31 O1- ATOM 0 H ASP A 91 17.777 61.362 -46.269 1.00 14.33 H new ATOM 0 HA ASP A 91 18.339 62.930 -47.769 1.00 71.02 H new ATOM 0 HB2 ASP A 91 20.476 62.963 -46.438 1.00 34.34 H new ATOM 0 HB3 ASP A 91 21.158 61.804 -47.562 1.00 34.34 H new ATOM 1349 N GLY A 92 18.145 60.429 -49.299 1.00 75.32 N ATOM 1350 CA GLY A 92 17.971 59.761 -50.576 1.00 62.34 C ATOM 1351 C GLY A 92 19.075 58.765 -50.868 1.00 52.21 C ATOM 1352 O GLY A 92 19.126 58.183 -51.952 1.00 23.30 O ATOM 0 H GLY A 92 17.592 60.040 -48.535 1.00 75.32 H new ATOM 0 HA2 GLY A 92 17.010 59.246 -50.584 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.940 60.507 -51.371 1.00 62.34 H new ATOM 1356 N GLN A 93 19.961 58.566 -49.902 1.00 55.42 N ATOM 1357 CA GLN A 93 21.071 57.641 -50.065 1.00 43.03 C ATOM 1358 C GLN A 93 20.817 56.353 -49.296 1.00 53.23 C ATOM 1359 O GLN A 93 20.378 56.380 -48.142 1.00 62.41 O ATOM 1360 CB GLN A 93 22.377 58.278 -49.580 1.00 32.14 C ATOM 1361 CG GLN A 93 22.813 59.500 -50.380 1.00 62.32 C ATOM 1362 CD GLN A 93 23.651 59.164 -51.608 1.00 5.43 C ATOM 1363 OE1 GLN A 93 24.506 59.950 -52.014 1.00 25.23 O ATOM 1364 NE2 GLN A 93 23.427 58.005 -52.208 1.00 33.20 N ATOM 0 H GLN A 93 19.931 59.034 -48.996 1.00 55.42 H new ATOM 0 HA GLN A 93 21.159 57.408 -51.126 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.262 58.565 -48.535 1.00 32.14 H new ATOM 0 HB3 GLN A 93 23.169 57.530 -49.620 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.927 60.051 -50.696 1.00 62.32 H new ATOM 0 HG3 GLN A 93 23.386 60.162 -49.731 1.00 62.32 H new ATOM 0 HE21 GLN A 93 22.711 57.374 -51.848 1.00 33.20 H new ATOM 0 HE22 GLN A 93 23.970 57.743 -53.030 1.00 33.20 H new ATOM 1373 N LEU A 94 21.074 55.233 -49.947 1.00 22.14 N ATOM 1374 CA LEU A 94 20.988 53.934 -49.302 1.00 50.31 C ATOM 1375 C LEU A 94 22.352 53.557 -48.741 1.00 43.43 C ATOM 1376 O LEU A 94 23.222 53.076 -49.465 1.00 52.24 O ATOM 1377 CB LEU A 94 20.509 52.857 -50.287 1.00 41.23 C ATOM 1378 CG LEU A 94 18.992 52.769 -50.507 1.00 41.02 C ATOM 1379 CD1 LEU A 94 18.283 52.454 -49.200 1.00 1.43 C ATOM 1380 CD2 LEU A 94 18.447 54.052 -51.121 1.00 42.11 C ATOM 0 H LEU A 94 21.346 55.197 -50.929 1.00 22.14 H new ATOM 0 HA LEU A 94 20.261 53.996 -48.492 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.985 53.037 -51.251 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.861 51.888 -49.934 1.00 41.23 H new ATOM 0 HG LEU A 94 18.800 51.958 -51.210 1.00 41.02 H new ATOM 0 HD11 LEU A 94 17.209 52.395 -49.374 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.641 51.500 -48.813 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.491 53.241 -48.475 1.00 1.43 H new ATOM 0 HD21 LEU A 94 17.371 53.958 -51.264 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.653 54.890 -50.455 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.927 54.227 -52.084 1.00 42.11 H new ATOM 1392 N GLN A 95 22.554 53.823 -47.462 1.00 22.34 N ATOM 1393 CA GLN A 95 23.818 53.515 -46.820 1.00 52.10 C ATOM 1394 C GLN A 95 23.676 52.307 -45.904 1.00 55.53 C ATOM 1395 O GLN A 95 23.013 52.364 -44.866 1.00 20.22 O ATOM 1396 CB GLN A 95 24.327 54.737 -46.052 1.00 54.30 C ATOM 1397 CG GLN A 95 25.557 54.466 -45.202 1.00 4.25 C ATOM 1398 CD GLN A 95 26.203 55.732 -44.670 1.00 5.40 C ATOM 1399 OE1 GLN A 95 26.733 55.751 -43.558 1.00 14.41 O ATOM 1400 NE2 GLN A 95 26.211 56.781 -45.476 1.00 5.31 N ATOM 0 H GLN A 95 21.860 54.251 -46.849 1.00 22.34 H new ATOM 0 HA GLN A 95 24.551 53.263 -47.586 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.557 55.530 -46.763 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.529 55.108 -45.409 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.279 53.827 -44.364 1.00 4.25 H new ATOM 0 HG3 GLN A 95 26.287 53.914 -45.795 1.00 4.25 H new ATOM 0 HE21 GLN A 95 25.761 56.726 -46.390 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.667 57.645 -45.184 1.00 5.31 H new ATOM 1409 N LEU A 96 24.285 51.209 -46.314 1.00 75.11 N ATOM 1410 CA LEU A 96 24.222 49.974 -45.563 1.00 53.33 C ATOM 1411 C LEU A 96 25.427 49.863 -44.640 1.00 12.32 C ATOM 1412 O LEU A 96 26.553 49.678 -45.098 1.00 51.50 O ATOM 1413 CB LEU A 96 24.181 48.781 -46.520 1.00 11.23 C ATOM 1414 CG LEU A 96 23.936 47.424 -45.861 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.556 47.381 -45.226 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.089 46.305 -46.879 1.00 11.35 C ATOM 0 H LEU A 96 24.833 51.151 -47.172 1.00 75.11 H new ATOM 0 HA LEU A 96 23.315 49.973 -44.959 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.398 48.955 -47.258 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.126 48.738 -47.062 1.00 11.23 H new ATOM 0 HG LEU A 96 24.679 47.282 -45.077 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.399 46.407 -44.762 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.480 48.161 -44.468 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.798 47.544 -45.992 1.00 12.31 H new ATOM 0 HD21 LEU A 96 23.911 45.345 -46.394 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.367 46.444 -47.684 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.098 46.323 -47.290 1.00 11.35 H new ATOM 1428 N ASN A 97 25.194 49.993 -43.346 1.00 24.34 N ATOM 1429 CA ASN A 97 26.269 49.926 -42.369 1.00 24.31 C ATOM 1430 C ASN A 97 26.351 48.534 -41.761 1.00 43.41 C ATOM 1431 O ASN A 97 25.645 48.219 -40.801 1.00 33.42 O ATOM 1432 CB ASN A 97 26.082 50.972 -41.264 1.00 32.34 C ATOM 1433 CG ASN A 97 26.330 52.388 -41.745 1.00 4.11 C ATOM 1434 OD1 ASN A 97 27.462 52.869 -41.730 1.00 11.22 O ATOM 1435 ND2 ASN A 97 25.273 53.071 -42.154 1.00 2.51 N ATOM 0 H ASN A 97 24.268 50.146 -42.946 1.00 24.34 H new ATOM 0 HA ASN A 97 27.203 50.142 -42.888 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.068 50.900 -40.870 1.00 32.34 H new ATOM 0 HB3 ASN A 97 26.761 50.749 -40.441 1.00 32.34 H new ATOM 0 HD21 ASN A 97 25.380 54.034 -42.473 1.00 2.51 H new ATOM 0 HD22 ASN A 97 24.351 52.634 -42.151 1.00 2.51 H new ATOM 1442 N VAL A 98 27.184 47.692 -42.343 1.00 45.14 N ATOM 1443 CA VAL A 98 27.387 46.355 -41.821 1.00 72.02 C ATOM 1444 C VAL A 98 28.436 46.370 -40.722 1.00 15.31 C ATOM 1445 O VAL A 98 29.633 46.482 -40.986 1.00 42.35 O ATOM 1446 CB VAL A 98 27.806 45.364 -42.927 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.234 44.028 -42.333 1.00 50.42 C ATOM 1448 CG2 VAL A 98 26.664 45.157 -43.906 1.00 24.02 C ATOM 0 H VAL A 98 27.730 47.910 -43.176 1.00 45.14 H new ATOM 0 HA VAL A 98 26.434 46.019 -41.411 1.00 72.02 H new ATOM 0 HB VAL A 98 28.658 45.790 -43.457 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.524 43.349 -43.135 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.081 44.182 -41.664 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.404 43.596 -41.774 1.00 50.42 H new ATOM 0 HG21 VAL A 98 26.972 44.456 -44.682 1.00 24.02 H new ATOM 0 HG22 VAL A 98 25.799 44.756 -43.377 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.399 46.110 -44.363 1.00 24.02 H new ATOM 1458 N THR A 99 27.981 46.281 -39.490 1.00 13.53 N ATOM 1459 CA THR A 99 28.881 46.198 -38.362 1.00 63.52 C ATOM 1460 C THR A 99 29.438 44.785 -38.269 1.00 34.14 C ATOM 1461 O THR A 99 28.735 43.850 -37.879 1.00 52.04 O ATOM 1462 CB THR A 99 28.167 46.580 -37.056 1.00 15.12 C ATOM 1463 OG1 THR A 99 27.590 47.890 -37.189 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.130 46.551 -35.874 1.00 64.32 C ATOM 0 H THR A 99 26.991 46.264 -39.245 1.00 13.53 H new ATOM 0 HA THR A 99 29.698 46.904 -38.510 1.00 63.52 H new ATOM 0 HB THR A 99 27.380 45.851 -36.866 1.00 15.12 H new ATOM 0 HG1 THR A 99 27.133 48.132 -36.356 1.00 32.14 H new ATOM 0 HG21 THR A 99 28.597 46.826 -34.964 1.00 64.32 H new ATOM 0 HG22 THR A 99 29.542 45.548 -35.765 1.00 64.32 H new ATOM 0 HG23 THR A 99 29.940 47.259 -36.047 1.00 64.32 H new ATOM 1472 N ASP A 100 30.688 44.638 -38.677 1.00 61.11 N ATOM 1473 CA ASP A 100 31.324 43.332 -38.750 1.00 23.41 C ATOM 1474 C ASP A 100 31.577 42.754 -37.368 1.00 63.40 C ATOM 1475 O ASP A 100 31.996 43.461 -36.453 1.00 62.23 O ATOM 1476 CB ASP A 100 32.637 43.427 -39.519 1.00 14.41 C ATOM 1477 CG ASP A 100 33.378 42.114 -39.561 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.612 42.130 -39.394 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.733 41.065 -39.730 1.00 11.31 O1- ATOM 0 H ASP A 100 31.286 45.413 -38.965 1.00 61.11 H new ATOM 0 HA ASP A 100 30.643 42.663 -39.276 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.435 43.759 -40.537 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.271 44.184 -39.057 1.00 14.41 H new ATOM 1484 N ARG A 101 31.321 41.467 -37.238 1.00 1.22 N ATOM 1485 CA ARG A 101 31.513 40.762 -35.985 1.00 70.42 C ATOM 1486 C ARG A 101 32.727 39.843 -36.092 1.00 41.44 C ATOM 1487 O ARG A 101 33.237 39.347 -35.089 1.00 3.54 O ATOM 1488 CB ARG A 101 30.253 39.955 -35.662 1.00 70.04 C ATOM 1489 CG ARG A 101 30.206 39.370 -34.261 1.00 12.41 C ATOM 1490 CD ARG A 101 30.213 40.456 -33.198 1.00 13.24 C ATOM 1491 NE ARG A 101 29.802 39.944 -31.890 1.00 14.53 N ATOM 1492 CZ ARG A 101 29.667 40.701 -30.802 1.00 32.32 C ATOM 1493 NH1 ARG A 101 30.039 41.976 -30.822 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 29.186 40.168 -29.683 1.00 52.25 N ATOM 0 H ARG A 101 30.974 40.881 -37.997 1.00 1.22 H new ATOM 0 HA ARG A 101 31.691 41.477 -35.182 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.383 40.597 -35.801 1.00 70.04 H new ATOM 0 HB3 ARG A 101 30.166 39.141 -36.382 1.00 70.04 H new ATOM 0 HG2 ARG A 101 29.310 38.759 -34.151 1.00 12.41 H new ATOM 0 HG3 ARG A 101 31.061 38.710 -34.113 1.00 12.41 H new ATOM 0 HD2 ARG A 101 31.213 40.883 -33.122 1.00 13.24 H new ATOM 0 HD3 ARG A 101 29.544 41.262 -33.499 1.00 13.24 H new ATOM 0 HE ARG A 101 29.607 38.946 -31.806 1.00 14.53 H new ATOM 0 HH11 ARG A 101 30.430 42.380 -31.673 1.00 20.33 H new ATOM 0 HH12 ARG A 101 29.933 42.551 -29.986 1.00 20.33 H new ATOM 0 HH21 ARG A 101 28.922 39.183 -29.660 1.00 52.25 H new ATOM 0 HH22 ARG A 101 29.081 40.744 -28.848 1.00 52.25 H new ATOM 1508 N LYS A 102 33.199 39.647 -37.321 1.00 25.22 N ATOM 1509 CA LYS A 102 34.307 38.738 -37.579 1.00 51.24 C ATOM 1510 C LYS A 102 35.635 39.385 -37.200 1.00 24.03 C ATOM 1511 O LYS A 102 36.404 38.835 -36.410 1.00 61.52 O ATOM 1512 CB LYS A 102 34.328 38.337 -39.057 1.00 63.24 C ATOM 1513 CG LYS A 102 33.026 37.714 -39.550 1.00 64.00 C ATOM 1514 CD LYS A 102 32.721 36.404 -38.845 1.00 42.35 C ATOM 1515 CE LYS A 102 33.830 35.388 -39.058 1.00 32.33 C ATOM 1516 NZ LYS A 102 33.509 34.083 -38.433 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.829 40.107 -38.153 1.00 25.22 H new ATOM 0 HA LYS A 102 34.167 37.846 -36.968 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.547 39.219 -39.659 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.141 37.630 -39.219 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.205 38.413 -39.388 1.00 64.00 H new ATOM 0 HG3 LYS A 102 33.090 37.541 -40.624 1.00 64.00 H new ATOM 0 HD2 LYS A 102 32.591 36.585 -37.778 1.00 42.35 H new ATOM 0 HD3 LYS A 102 31.779 36.000 -39.216 1.00 42.35 H new ATOM 0 HE2 LYS A 102 33.995 35.248 -40.126 1.00 32.33 H new ATOM 0 HE3 LYS A 102 34.760 35.772 -38.640 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 34.290 33.417 -38.600 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 33.377 34.211 -37.409 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 32.635 33.704 -38.850 1.00 73.14 H new ATOM 1530 N THR A 103 35.904 40.547 -37.778 1.00 32.11 N ATOM 1531 CA THR A 103 37.121 41.292 -37.484 1.00 65.25 C ATOM 1532 C THR A 103 36.781 42.628 -36.821 1.00 51.12 C ATOM 1533 O THR A 103 37.599 43.221 -36.116 1.00 72.12 O ATOM 1534 CB THR A 103 37.952 41.534 -38.765 1.00 3.51 C ATOM 1535 OG1 THR A 103 37.161 42.191 -39.768 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.472 40.221 -39.324 1.00 15.44 C ATOM 0 H THR A 103 35.291 40.997 -38.458 1.00 32.11 H new ATOM 0 HA THR A 103 37.720 40.695 -36.796 1.00 65.25 H new ATOM 0 HB THR A 103 38.795 42.171 -38.496 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.305 42.468 -39.380 1.00 71.14 H new ATOM 0 HG21 THR A 103 39.054 40.414 -40.225 1.00 15.44 H new ATOM 0 HG22 THR A 103 39.104 39.734 -38.581 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.632 39.571 -39.567 1.00 15.44 H new ATOM 1544 N GLY A 104 35.559 43.089 -37.056 1.00 65.24 N ATOM 1545 CA GLY A 104 35.088 44.319 -36.454 1.00 42.41 C ATOM 1546 C GLY A 104 35.319 45.516 -37.349 1.00 24.42 C ATOM 1547 O GLY A 104 35.501 46.638 -36.875 1.00 13.23 O ATOM 0 H GLY A 104 34.880 42.626 -37.660 1.00 65.24 H new ATOM 0 HA2 GLY A 104 34.024 44.231 -36.235 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.597 44.475 -35.503 1.00 42.41 H new ATOM 1551 N GLN A 105 35.327 45.276 -38.649 1.00 51.35 N ATOM 1552 CA GLN A 105 35.484 46.345 -39.622 1.00 72.04 C ATOM 1553 C GLN A 105 34.130 46.717 -40.216 1.00 12.40 C ATOM 1554 O GLN A 105 33.609 46.009 -41.082 1.00 64.30 O ATOM 1555 CB GLN A 105 36.447 45.919 -40.734 1.00 71.44 C ATOM 1556 CG GLN A 105 37.850 45.588 -40.247 1.00 11.23 C ATOM 1557 CD GLN A 105 38.572 46.794 -39.679 1.00 44.43 C ATOM 1558 OE1 GLN A 105 39.239 47.529 -40.403 1.00 42.45 O ATOM 1559 NE2 GLN A 105 38.453 46.999 -38.378 1.00 23.32 N ATOM 0 H GLN A 105 35.226 44.347 -39.057 1.00 51.35 H new ATOM 0 HA GLN A 105 35.900 47.216 -39.116 1.00 72.04 H new ATOM 0 HB2 GLN A 105 36.035 45.047 -41.242 1.00 71.44 H new ATOM 0 HB3 GLN A 105 36.509 46.719 -41.472 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.792 44.812 -39.484 1.00 11.23 H new ATOM 0 HG3 GLN A 105 38.430 45.179 -41.074 1.00 11.23 H new ATOM 0 HE21 GLN A 105 37.889 46.365 -37.811 1.00 23.32 H new ATOM 0 HE22 GLN A 105 38.925 47.791 -37.941 1.00 23.32 H new ATOM 1568 N THR A 106 33.551 47.807 -39.728 1.00 25.35 N ATOM 1569 CA THR A 106 32.250 48.258 -40.192 1.00 43.25 C ATOM 1570 C THR A 106 32.271 48.524 -41.694 1.00 44.11 C ATOM 1571 O THR A 106 32.902 49.469 -42.168 1.00 33.22 O ATOM 1572 CB THR A 106 31.809 49.532 -39.451 1.00 61.32 C ATOM 1573 OG1 THR A 106 31.965 49.347 -38.038 1.00 1.35 O ATOM 1574 CG2 THR A 106 30.357 49.867 -39.762 1.00 5.13 C ATOM 0 H THR A 106 33.967 48.396 -39.007 1.00 25.35 H new ATOM 0 HA THR A 106 31.535 47.463 -39.981 1.00 43.25 H new ATOM 0 HB THR A 106 32.435 50.359 -39.787 1.00 61.32 H new ATOM 0 HG1 THR A 106 31.685 50.160 -37.569 1.00 1.35 H new ATOM 0 HG21 THR A 106 30.069 50.772 -39.226 1.00 5.13 H new ATOM 0 HG22 THR A 106 30.242 50.028 -40.834 1.00 5.13 H new ATOM 0 HG23 THR A 106 29.718 49.041 -39.449 1.00 5.13 H new ATOM 1582 N SER A 107 31.589 47.671 -42.434 1.00 30.10 N ATOM 1583 CA SER A 107 31.545 47.780 -43.874 1.00 71.15 C ATOM 1584 C SER A 107 30.375 48.662 -44.295 1.00 42.21 C ATOM 1585 O SER A 107 29.253 48.184 -44.477 1.00 53.14 O ATOM 1586 CB SER A 107 31.425 46.386 -44.493 1.00 62.32 C ATOM 1587 OG SER A 107 32.371 45.499 -43.911 1.00 35.01 O ATOM 0 H SER A 107 31.055 46.889 -42.055 1.00 30.10 H new ATOM 0 HA SER A 107 32.466 48.241 -44.231 1.00 71.15 H new ATOM 0 HB2 SER A 107 30.416 46.001 -44.343 1.00 62.32 H new ATOM 0 HB3 SER A 107 31.587 46.445 -45.569 1.00 62.32 H new ATOM 0 HG SER A 107 32.280 44.612 -44.317 1.00 35.01 H new ATOM 1593 N THR A 108 30.633 49.957 -44.396 1.00 61.34 N ATOM 1594 CA THR A 108 29.625 50.909 -44.822 1.00 45.01 C ATOM 1595 C THR A 108 29.546 50.951 -46.346 1.00 51.14 C ATOM 1596 O THR A 108 30.462 51.433 -47.015 1.00 24.12 O ATOM 1597 CB THR A 108 29.933 52.316 -44.276 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.078 52.262 -42.851 1.00 42.23 O ATOM 1599 CG2 THR A 108 28.824 53.291 -44.631 1.00 12.31 C ATOM 0 H THR A 108 31.540 50.373 -44.186 1.00 61.34 H new ATOM 0 HA THR A 108 28.664 50.585 -44.423 1.00 45.01 H new ATOM 0 HB THR A 108 30.861 52.662 -44.731 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.218 52.462 -42.427 1.00 42.23 H new ATOM 0 HG21 THR A 108 29.066 54.277 -44.234 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.725 53.350 -45.715 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.884 52.946 -44.199 1.00 12.31 H new ATOM 1607 N ILE A 109 28.456 50.425 -46.884 1.00 13.34 N ATOM 1608 CA ILE A 109 28.268 50.347 -48.324 1.00 55.11 C ATOM 1609 C ILE A 109 27.206 51.339 -48.789 1.00 14.15 C ATOM 1610 O ILE A 109 26.025 51.193 -48.468 1.00 1.14 O ATOM 1611 CB ILE A 109 27.860 48.921 -48.759 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.880 47.904 -48.248 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.750 48.840 -50.276 1.00 4.42 C ATOM 1614 CD1 ILE A 109 28.517 46.465 -48.562 1.00 12.41 C ATOM 0 H ILE A 109 27.683 50.043 -46.339 1.00 13.34 H new ATOM 0 HA ILE A 109 29.222 50.598 -48.788 1.00 55.11 H new ATOM 0 HB ILE A 109 26.886 48.690 -48.328 1.00 61.20 H new ATOM 0 HG12 ILE A 109 29.853 48.128 -48.685 1.00 73.01 H new ATOM 0 HG13 ILE A 109 28.982 48.016 -47.169 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.462 47.830 -50.566 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.997 49.546 -50.624 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.713 49.086 -50.724 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.287 45.801 -48.169 1.00 12.41 H new ATOM 0 HD12 ILE A 109 27.559 46.223 -48.102 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.444 46.336 -49.642 1.00 12.41 H new ATOM 1626 N GLN A 110 27.632 52.359 -49.517 1.00 42.43 N ATOM 1627 CA GLN A 110 26.712 53.325 -50.097 1.00 3.53 C ATOM 1628 C GLN A 110 26.259 52.863 -51.478 1.00 10.22 C ATOM 1629 O GLN A 110 27.070 52.700 -52.389 1.00 61.10 O ATOM 1630 CB GLN A 110 27.375 54.697 -50.206 1.00 51.25 C ATOM 1631 CG GLN A 110 27.776 55.294 -48.872 1.00 2.41 C ATOM 1632 CD GLN A 110 28.500 56.610 -49.034 1.00 4.14 C ATOM 1633 OE1 GLN A 110 27.884 57.675 -49.048 1.00 23.33 O ATOM 1634 NE2 GLN A 110 29.812 56.544 -49.172 1.00 32.10 N ATOM 0 H GLN A 110 28.615 52.540 -49.721 1.00 42.43 H new ATOM 0 HA GLN A 110 25.843 53.403 -49.444 1.00 3.53 H new ATOM 0 HB2 GLN A 110 28.261 54.612 -50.836 1.00 51.25 H new ATOM 0 HB3 GLN A 110 26.691 55.381 -50.708 1.00 51.25 H new ATOM 0 HG2 GLN A 110 26.887 55.443 -48.260 1.00 2.41 H new ATOM 0 HG3 GLN A 110 28.416 54.592 -48.339 1.00 2.41 H new ATOM 0 HE21 GLN A 110 30.282 55.639 -49.154 1.00 32.10 H new ATOM 0 HE22 GLN A 110 30.355 57.398 -49.296 1.00 32.10 H new ATOM 1643 N VAL A 111 24.962 52.648 -51.619 1.00 22.34 N ATOM 1644 CA VAL A 111 24.383 52.241 -52.892 1.00 74.24 C ATOM 1645 C VAL A 111 24.319 53.442 -53.842 1.00 21.00 C ATOM 1646 O VAL A 111 24.414 54.588 -53.395 1.00 75.11 O ATOM 1647 CB VAL A 111 22.970 51.634 -52.686 1.00 73.33 C ATOM 1648 CG1 VAL A 111 22.423 51.042 -53.976 1.00 13.23 C ATOM 1649 CG2 VAL A 111 23.000 50.576 -51.589 1.00 44.35 C ATOM 0 H VAL A 111 24.285 52.749 -50.863 1.00 22.34 H new ATOM 0 HA VAL A 111 25.017 51.473 -53.334 1.00 74.24 H new ATOM 0 HB VAL A 111 22.304 52.441 -52.381 1.00 73.33 H new ATOM 0 HG11 VAL A 111 21.432 50.626 -53.794 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.355 51.822 -54.734 1.00 13.23 H new ATOM 0 HG13 VAL A 111 23.089 50.253 -54.325 1.00 13.23 H new ATOM 0 HG21 VAL A 111 22.001 50.160 -51.457 1.00 44.35 H new ATOM 0 HG22 VAL A 111 23.690 49.780 -51.870 1.00 44.35 H new ATOM 0 HG23 VAL A 111 23.330 51.030 -50.655 1.00 44.35 H new