USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=18 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 99 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 106 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 95 GLN :FLIP amide:sc= 0.154 F(o=-2.3!,f=-0.36) USER MOD Set 2.2: A 97 ASN :FLIP amide:sc= -0.509 F(o=-2.5!,f=-0.36) USER MOD Set 3.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 59 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.344 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.398 F(o=-1.3,f=-0.4) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0649 K(o=-0.065,f=-1.6!) USER MOD Single : A 78 MET CE :methyl -161:sc= -0.107 (180deg=-0.553) USER MOD Single : A 80 THR OG1 : rot 42:sc= -2.13! USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.37 X(o=-0.37,f=0.0013) USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-2.2!,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 145:sc= 1.66 (180deg=-1.46) USER MOD Single : A 103 THR OG1 : rot -57:sc= 0.881 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) 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 K(o=0,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 19.932 88.512 -22.687 1.00 65.21 N ATOM 660 CA GLU A 46 19.772 88.645 -24.133 1.00 41.54 C ATOM 661 C GLU A 46 20.854 89.551 -24.715 1.00 5.12 C ATOM 662 O GLU A 46 20.673 90.762 -24.846 1.00 43.23 O ATOM 663 CB GLU A 46 18.378 89.160 -24.503 1.00 55.55 C ATOM 664 CG GLU A 46 17.251 88.249 -24.038 1.00 14.53 C ATOM 665 CD GLU A 46 15.896 88.685 -24.553 1.00 0.14 C ATOM 666 OE1 GLU A 46 15.529 88.285 -25.679 1.00 65.32 O ATOM 667 OE2 GLU A 46 15.189 89.425 -23.840 1.00 5.55 O1- ATOM 0 HA GLU A 46 19.881 87.651 -24.568 1.00 41.54 H new ATOM 0 HB2 GLU A 46 18.238 90.149 -24.068 1.00 55.55 H new ATOM 0 HB3 GLU A 46 18.318 89.276 -25.585 1.00 55.55 H new ATOM 0 HG2 GLU A 46 17.451 87.231 -24.372 1.00 14.53 H new ATOM 0 HG3 GLU A 46 17.232 88.229 -22.948 1.00 14.53 H new ATOM 674 N THR A 47 21.991 88.949 -25.033 1.00 53.34 N ATOM 675 CA THR A 47 23.126 89.672 -25.583 1.00 11.21 C ATOM 676 C THR A 47 23.787 88.852 -26.697 1.00 2.33 C ATOM 677 O THR A 47 24.668 88.029 -26.450 1.00 31.14 O ATOM 678 CB THR A 47 24.152 90.053 -24.484 1.00 14.13 C ATOM 679 OG1 THR A 47 25.333 90.613 -25.070 1.00 60.32 O ATOM 680 CG2 THR A 47 24.524 88.856 -23.613 1.00 31.14 C ATOM 0 H THR A 47 22.151 87.948 -24.917 1.00 53.34 H new ATOM 0 HA THR A 47 22.756 90.604 -26.010 1.00 11.21 H new ATOM 0 HB THR A 47 23.678 90.798 -23.846 1.00 14.13 H new ATOM 0 HG1 THR A 47 25.969 90.849 -24.363 1.00 60.32 H new ATOM 0 HG21 THR A 47 25.245 89.167 -22.856 1.00 31.14 H new ATOM 0 HG22 THR A 47 23.629 88.469 -23.125 1.00 31.14 H new ATOM 0 HG23 THR A 47 24.964 88.076 -24.235 1.00 31.14 H new ATOM 688 N PRO A 48 23.304 89.007 -27.942 1.00 63.35 N ATOM 689 CA PRO A 48 23.799 88.236 -29.082 1.00 21.13 C ATOM 690 C PRO A 48 25.260 88.545 -29.416 1.00 23.22 C ATOM 691 O PRO A 48 25.569 89.571 -30.023 1.00 30.10 O ATOM 692 CB PRO A 48 22.880 88.642 -30.247 1.00 72.10 C ATOM 693 CG PRO A 48 21.735 89.371 -29.623 1.00 2.42 C ATOM 694 CD PRO A 48 22.248 89.952 -28.335 1.00 3.12 C ATOM 0 HA PRO A 48 23.779 87.167 -28.871 1.00 21.13 H new ATOM 0 HB2 PRO A 48 23.407 89.277 -30.959 1.00 72.10 H new ATOM 0 HB3 PRO A 48 22.534 87.766 -30.796 1.00 72.10 H new ATOM 0 HG2 PRO A 48 21.369 90.157 -30.284 1.00 2.42 H new ATOM 0 HG3 PRO A 48 20.900 88.695 -29.438 1.00 2.42 H new ATOM 0 HD2 PRO A 48 22.640 90.959 -28.475 1.00 3.12 H new ATOM 0 HD3 PRO A 48 21.464 90.017 -27.581 1.00 3.12 H new ATOM 702 N SER A 49 26.152 87.666 -28.980 1.00 1.52 N ATOM 703 CA SER A 49 27.565 87.765 -29.320 1.00 71.45 C ATOM 704 C SER A 49 28.174 86.369 -29.447 1.00 5.40 C ATOM 705 O SER A 49 28.374 85.861 -30.553 1.00 55.33 O ATOM 706 CB SER A 49 28.301 88.587 -28.257 1.00 4.01 C ATOM 707 OG SER A 49 28.004 88.112 -26.951 1.00 52.25 O ATOM 0 H SER A 49 25.920 86.870 -28.386 1.00 1.52 H new ATOM 0 HA SER A 49 27.669 88.271 -30.280 1.00 71.45 H new ATOM 0 HB2 SER A 49 29.376 88.535 -28.431 1.00 4.01 H new ATOM 0 HB3 SER A 49 28.015 89.636 -28.340 1.00 4.01 H new ATOM 0 HG SER A 49 28.486 88.651 -26.289 1.00 52.25 H new ATOM 713 N ALA A 50 28.423 85.737 -28.307 1.00 4.34 N ATOM 714 CA ALA A 50 28.980 84.390 -28.274 1.00 71.23 C ATOM 715 C ALA A 50 28.010 83.386 -28.883 1.00 52.43 C ATOM 716 O ALA A 50 28.394 82.538 -29.688 1.00 63.35 O ATOM 717 CB ALA A 50 29.319 83.996 -26.845 1.00 52.42 C ATOM 0 H ALA A 50 28.247 86.139 -27.386 1.00 4.34 H new ATOM 0 HA ALA A 50 29.894 84.384 -28.868 1.00 71.23 H new ATOM 0 HB1 ALA A 50 29.734 82.988 -26.834 1.00 52.42 H new ATOM 0 HB2 ALA A 50 30.051 84.694 -26.439 1.00 52.42 H new ATOM 0 HB3 ALA A 50 28.415 84.023 -26.236 1.00 52.42 H new ATOM 723 N LEU A 51 26.747 83.490 -28.495 1.00 14.24 N ATOM 724 CA LEU A 51 25.713 82.601 -29.014 1.00 65.24 C ATOM 725 C LEU A 51 25.263 83.044 -30.402 1.00 54.11 C ATOM 726 O LEU A 51 24.713 82.252 -31.165 1.00 73.42 O ATOM 727 CB LEU A 51 24.502 82.560 -28.072 1.00 34.13 C ATOM 728 CG LEU A 51 23.575 83.783 -28.116 1.00 14.14 C ATOM 729 CD1 LEU A 51 22.282 83.490 -27.384 1.00 42.24 C ATOM 730 CD2 LEU A 51 24.243 85.006 -27.516 1.00 32.32 C ATOM 0 H LEU A 51 26.412 84.180 -27.823 1.00 14.24 H new ATOM 0 HA LEU A 51 26.143 81.602 -29.082 1.00 65.24 H new ATOM 0 HB2 LEU A 51 23.913 81.674 -28.308 1.00 34.13 H new ATOM 0 HB3 LEU A 51 24.864 82.440 -27.051 1.00 34.13 H new ATOM 0 HG LEU A 51 23.356 83.995 -29.162 1.00 14.14 H new ATOM 0 HD11 LEU A 51 21.635 84.366 -27.424 1.00 42.24 H new ATOM 0 HD12 LEU A 51 21.779 82.646 -27.857 1.00 42.24 H new ATOM 0 HD13 LEU A 51 22.500 83.246 -26.344 1.00 42.24 H new ATOM 0 HD21 LEU A 51 23.560 85.854 -27.563 1.00 32.32 H new ATOM 0 HD22 LEU A 51 24.502 84.806 -26.476 1.00 32.32 H new ATOM 0 HD23 LEU A 51 25.148 85.238 -28.077 1.00 32.32 H new ATOM 742 N ASP A 52 25.526 84.308 -30.722 1.00 2.23 N ATOM 743 CA ASP A 52 25.054 84.925 -31.965 1.00 12.25 C ATOM 744 C ASP A 52 25.534 84.157 -33.188 1.00 34.31 C ATOM 745 O ASP A 52 24.738 83.561 -33.910 1.00 33.15 O ATOM 746 CB ASP A 52 25.539 86.376 -32.041 1.00 5.20 C ATOM 747 CG ASP A 52 25.214 87.052 -33.361 1.00 62.52 C ATOM 748 OD1 ASP A 52 24.159 87.710 -33.451 1.00 12.41 O ATOM 749 OD2 ASP A 52 26.027 86.949 -34.306 1.00 63.02 O1- ATOM 0 H ASP A 52 26.071 84.935 -30.130 1.00 2.23 H new ATOM 0 HA ASP A 52 23.964 84.900 -31.959 1.00 12.25 H new ATOM 0 HB2 ASP A 52 25.087 86.945 -31.229 1.00 5.20 H new ATOM 0 HB3 ASP A 52 26.618 86.399 -31.885 1.00 5.20 H new ATOM 754 N ASN A 53 26.843 84.152 -33.391 1.00 61.25 N ATOM 755 CA ASN A 53 27.434 83.529 -34.569 1.00 42.12 C ATOM 756 C ASN A 53 27.253 82.011 -34.526 1.00 63.01 C ATOM 757 O ASN A 53 27.259 81.341 -35.557 1.00 23.25 O ATOM 758 CB ASN A 53 28.920 83.890 -34.652 1.00 44.53 C ATOM 759 CG ASN A 53 29.552 83.510 -35.979 1.00 73.01 C ATOM 760 OD1 ASN A 53 30.132 82.432 -36.121 1.00 72.42 O ATOM 761 ND2 ASN A 53 29.437 84.390 -36.964 1.00 31.23 N ATOM 0 H ASN A 53 27.519 84.573 -32.754 1.00 61.25 H new ATOM 0 HA ASN A 53 26.926 83.904 -35.458 1.00 42.12 H new ATOM 0 HB2 ASN A 53 29.037 84.962 -34.495 1.00 44.53 H new ATOM 0 HB3 ASN A 53 29.455 83.389 -33.845 1.00 44.53 H new ATOM 0 HD21 ASN A 53 29.837 84.185 -37.880 1.00 31.23 H new ATOM 0 HD22 ASN A 53 28.949 85.272 -36.806 1.00 31.23 H new ATOM 768 N PHE A 54 27.062 81.486 -33.323 1.00 22.14 N ATOM 769 CA PHE A 54 26.915 80.052 -33.121 1.00 43.23 C ATOM 770 C PHE A 54 25.533 79.568 -33.562 1.00 0.30 C ATOM 771 O PHE A 54 25.421 78.691 -34.419 1.00 51.31 O ATOM 772 CB PHE A 54 27.162 79.717 -31.645 1.00 64.13 C ATOM 773 CG PHE A 54 27.140 78.249 -31.327 1.00 32.43 C ATOM 774 CD1 PHE A 54 27.879 77.347 -32.076 1.00 20.25 C ATOM 775 CD2 PHE A 54 26.388 77.772 -30.264 1.00 52.44 C ATOM 776 CE1 PHE A 54 27.866 75.999 -31.773 1.00 74.25 C ATOM 777 CE2 PHE A 54 26.370 76.426 -29.958 1.00 41.13 C ATOM 778 CZ PHE A 54 27.110 75.538 -30.713 1.00 1.54 C ATOM 0 H PHE A 54 27.005 82.037 -32.467 1.00 22.14 H new ATOM 0 HA PHE A 54 27.652 79.535 -33.736 1.00 43.23 H new ATOM 0 HB2 PHE A 54 28.129 80.125 -31.350 1.00 64.13 H new ATOM 0 HB3 PHE A 54 26.406 80.218 -31.040 1.00 64.13 H new ATOM 0 HD1 PHE A 54 28.472 77.702 -32.906 1.00 20.25 H new ATOM 0 HD2 PHE A 54 25.809 78.462 -29.668 1.00 52.44 H new ATOM 0 HE1 PHE A 54 28.446 75.306 -32.364 1.00 74.25 H new ATOM 0 HE2 PHE A 54 25.778 76.068 -29.129 1.00 41.13 H new ATOM 0 HZ PHE A 54 27.098 74.485 -30.475 1.00 1.54 H new ATOM 788 N THR A 55 24.483 80.165 -33.001 1.00 75.41 N ATOM 789 CA THR A 55 23.117 79.706 -33.245 1.00 62.12 C ATOM 790 C THR A 55 22.723 79.854 -34.717 1.00 21.25 C ATOM 791 O THR A 55 21.897 79.096 -35.229 1.00 1.24 O ATOM 792 CB THR A 55 22.099 80.454 -32.348 1.00 4.21 C ATOM 793 OG1 THR A 55 20.799 79.866 -32.474 1.00 21.43 O ATOM 794 CG2 THR A 55 22.021 81.933 -32.705 1.00 4.31 C ATOM 0 H THR A 55 24.552 80.967 -32.375 1.00 75.41 H new ATOM 0 HA THR A 55 23.093 78.647 -32.989 1.00 62.12 H new ATOM 0 HB THR A 55 22.444 80.365 -31.318 1.00 4.21 H new ATOM 0 HG1 THR A 55 20.166 80.347 -31.901 1.00 21.43 H new ATOM 0 HG21 THR A 55 21.297 82.426 -32.056 1.00 4.31 H new ATOM 0 HG22 THR A 55 23.001 82.392 -32.571 1.00 4.31 H new ATOM 0 HG23 THR A 55 21.709 82.041 -33.744 1.00 4.31 H new ATOM 802 N GLN A 56 23.342 80.804 -35.403 1.00 32.54 N ATOM 803 CA GLN A 56 23.028 81.066 -36.802 1.00 40.22 C ATOM 804 C GLN A 56 23.485 79.910 -37.681 1.00 42.31 C ATOM 805 O GLN A 56 22.823 79.562 -38.660 1.00 33.50 O ATOM 806 CB GLN A 56 23.677 82.368 -37.255 1.00 24.31 C ATOM 807 CG GLN A 56 23.101 83.599 -36.579 1.00 3.12 C ATOM 808 CD GLN A 56 23.812 84.869 -36.988 1.00 23.51 C ATOM 809 OE1 GLN A 56 24.330 84.973 -38.098 1.00 22.43 O ATOM 810 NE2 GLN A 56 23.848 85.841 -36.092 1.00 51.20 N ATOM 0 H GLN A 56 24.066 81.408 -35.014 1.00 32.54 H new ATOM 0 HA GLN A 56 21.947 81.163 -36.900 1.00 40.22 H new ATOM 0 HB2 GLN A 56 24.747 82.320 -37.054 1.00 24.31 H new ATOM 0 HB3 GLN A 56 23.559 82.467 -38.334 1.00 24.31 H new ATOM 0 HG2 GLN A 56 22.043 83.683 -36.825 1.00 3.12 H new ATOM 0 HG3 GLN A 56 23.168 83.481 -35.498 1.00 3.12 H new ATOM 0 HE21 GLN A 56 23.405 85.713 -35.182 1.00 51.20 H new ATOM 0 HE22 GLN A 56 24.319 86.719 -36.311 1.00 51.20 H new ATOM 819 N ALA A 57 24.610 79.308 -37.314 1.00 43.12 N ATOM 820 CA ALA A 57 25.131 78.158 -38.037 1.00 74.22 C ATOM 821 C ALA A 57 24.318 76.918 -37.695 1.00 13.44 C ATOM 822 O ALA A 57 24.166 76.007 -38.515 1.00 44.41 O ATOM 823 CB ALA A 57 26.601 77.944 -37.701 1.00 32.32 C ATOM 0 H ALA A 57 25.178 79.599 -36.519 1.00 43.12 H new ATOM 0 HA ALA A 57 25.048 78.345 -39.108 1.00 74.22 H new ATOM 0 HB1 ALA A 57 26.977 77.080 -38.249 1.00 32.32 H new ATOM 0 HB2 ALA A 57 27.171 78.829 -37.983 1.00 32.32 H new ATOM 0 HB3 ALA A 57 26.708 77.769 -36.630 1.00 32.32 H new ATOM 829 N ILE A 58 23.779 76.898 -36.481 1.00 52.41 N ATOM 830 CA ILE A 58 22.968 75.780 -36.023 1.00 43.42 C ATOM 831 C ILE A 58 21.684 75.674 -36.839 1.00 42.32 C ATOM 832 O ILE A 58 21.295 74.589 -37.259 1.00 2.22 O ATOM 833 CB ILE A 58 22.605 75.905 -34.530 1.00 4.31 C ATOM 834 CG1 ILE A 58 23.867 76.134 -33.691 1.00 33.32 C ATOM 835 CG2 ILE A 58 21.858 74.663 -34.058 1.00 22.11 C ATOM 836 CD1 ILE A 58 23.619 76.102 -32.198 1.00 75.03 C ATOM 0 H ILE A 58 23.890 77.646 -35.796 1.00 52.41 H new ATOM 0 HA ILE A 58 23.568 74.880 -36.160 1.00 43.42 H new ATOM 0 HB ILE A 58 21.949 76.766 -34.402 1.00 4.31 H new ATOM 0 HG12 ILE A 58 24.604 75.372 -33.944 1.00 33.32 H new ATOM 0 HG13 ILE A 58 24.300 77.098 -33.958 1.00 33.32 H new ATOM 0 HG21 ILE A 58 21.609 74.767 -33.002 1.00 22.11 H new ATOM 0 HG22 ILE A 58 20.942 74.548 -34.637 1.00 22.11 H new ATOM 0 HG23 ILE A 58 22.488 73.785 -34.197 1.00 22.11 H new ATOM 0 HD11 ILE A 58 24.557 76.271 -31.670 1.00 75.03 H new ATOM 0 HD12 ILE A 58 22.906 76.882 -31.931 1.00 75.03 H new ATOM 0 HD13 ILE A 58 23.215 75.129 -31.917 1.00 75.03 H new ATOM 848 N GLN A 59 21.046 76.812 -37.081 1.00 20.32 N ATOM 849 CA GLN A 59 19.795 76.838 -37.831 1.00 43.14 C ATOM 850 C GLN A 59 20.005 76.366 -39.271 1.00 30.01 C ATOM 851 O GLN A 59 19.071 75.913 -39.931 1.00 22.32 O ATOM 852 CB GLN A 59 19.189 78.241 -37.805 1.00 0.24 C ATOM 853 CG GLN A 59 18.840 78.716 -36.404 1.00 33.03 C ATOM 854 CD GLN A 59 18.195 80.089 -36.387 1.00 32.54 C ATOM 855 OE1 GLN A 59 17.502 80.472 -37.330 1.00 24.13 O ATOM 856 NE2 GLN A 59 18.417 80.836 -35.316 1.00 51.23 N ATOM 0 H GLN A 59 21.372 77.727 -36.770 1.00 20.32 H new ATOM 0 HA GLN A 59 19.098 76.149 -37.353 1.00 43.14 H new ATOM 0 HB2 GLN A 59 19.892 78.942 -38.255 1.00 0.24 H new ATOM 0 HB3 GLN A 59 18.289 78.253 -38.420 1.00 0.24 H new ATOM 0 HG2 GLN A 59 18.164 77.997 -35.941 1.00 33.03 H new ATOM 0 HG3 GLN A 59 19.746 78.739 -35.798 1.00 33.03 H new ATOM 0 HE21 GLN A 59 18.998 80.480 -34.557 1.00 51.23 H new ATOM 0 HE22 GLN A 59 18.007 81.768 -35.250 1.00 51.23 H new ATOM 865 N SER A 60 21.236 76.466 -39.751 1.00 51.04 N ATOM 866 CA SER A 60 21.569 76.013 -41.094 1.00 11.41 C ATOM 867 C SER A 60 21.928 74.529 -41.108 1.00 54.31 C ATOM 868 O SER A 60 21.609 73.814 -42.058 1.00 71.15 O ATOM 869 CB SER A 60 22.728 76.837 -41.650 1.00 73.34 C ATOM 870 OG SER A 60 22.378 78.206 -41.723 1.00 3.51 O ATOM 0 H SER A 60 22.021 76.857 -39.230 1.00 51.04 H new ATOM 0 HA SER A 60 20.691 76.152 -41.724 1.00 11.41 H new ATOM 0 HB2 SER A 60 23.606 76.714 -41.015 1.00 73.34 H new ATOM 0 HB3 SER A 60 22.998 76.472 -42.641 1.00 73.34 H new ATOM 0 HG SER A 60 23.133 78.718 -42.080 1.00 3.51 H new ATOM 876 N GLN A 61 22.576 74.061 -40.046 1.00 30.10 N ATOM 877 CA GLN A 61 23.049 72.677 -39.984 1.00 24.42 C ATOM 878 C GLN A 61 21.910 71.703 -39.673 1.00 14.32 C ATOM 879 O GLN A 61 22.107 70.487 -39.679 1.00 1.12 O ATOM 880 CB GLN A 61 24.150 72.532 -38.930 1.00 64.21 C ATOM 881 CG GLN A 61 23.648 72.677 -37.504 1.00 32.32 C ATOM 882 CD GLN A 61 24.744 72.530 -36.466 1.00 64.01 C ATOM 883 OE1 GLN A 61 25.960 72.923 -36.811 1.00 52.54 O flip ATOM 884 NE2 GLN A 61 24.493 72.070 -35.354 1.00 61.52 N flip ATOM 0 H GLN A 61 22.787 74.616 -39.217 1.00 30.10 H new ATOM 0 HA GLN A 61 23.452 72.429 -40.966 1.00 24.42 H new ATOM 0 HB2 GLN A 61 24.623 71.557 -39.043 1.00 64.21 H new ATOM 0 HB3 GLN A 61 24.919 73.282 -39.114 1.00 64.21 H new ATOM 0 HG2 GLN A 61 23.177 73.653 -37.389 1.00 32.32 H new ATOM 0 HG3 GLN A 61 22.878 71.928 -37.319 1.00 32.32 H new ATOM 0 HE21 GLN A 61 23.543 71.778 -35.126 1.00 61.52 H new ATOM 0 HE22 GLN A 61 25.235 71.980 -34.660 1.00 61.52 H new ATOM 893 N ILE A 62 20.722 72.242 -39.418 1.00 25.21 N ATOM 894 CA ILE A 62 19.563 71.425 -39.072 1.00 60.23 C ATOM 895 C ILE A 62 19.220 70.487 -40.221 1.00 4.22 C ATOM 896 O ILE A 62 18.833 69.341 -40.006 1.00 73.53 O ATOM 897 CB ILE A 62 18.331 72.298 -38.727 1.00 31.41 C ATOM 898 CG1 ILE A 62 18.611 73.139 -37.481 1.00 75.12 C ATOM 899 CG2 ILE A 62 17.095 71.432 -38.511 1.00 11.33 C ATOM 900 CD1 ILE A 62 17.478 74.065 -37.101 1.00 54.33 C ATOM 0 H ILE A 62 20.536 73.245 -39.445 1.00 25.21 H new ATOM 0 HA ILE A 62 19.823 70.842 -38.188 1.00 60.23 H new ATOM 0 HB ILE A 62 18.139 72.964 -39.568 1.00 31.41 H new ATOM 0 HG12 ILE A 62 18.819 72.473 -36.644 1.00 75.12 H new ATOM 0 HG13 ILE A 62 19.511 73.731 -37.649 1.00 75.12 H new ATOM 0 HG21 ILE A 62 16.243 72.068 -38.270 1.00 11.33 H new ATOM 0 HG22 ILE A 62 16.882 70.869 -39.420 1.00 11.33 H new ATOM 0 HG23 ILE A 62 17.275 70.740 -37.689 1.00 11.33 H new ATOM 0 HD11 ILE A 62 17.752 74.627 -36.208 1.00 54.33 H new ATOM 0 HD12 ILE A 62 17.283 74.757 -37.920 1.00 54.33 H new ATOM 0 HD13 ILE A 62 16.581 73.479 -36.900 1.00 54.33 H new ATOM 912 N LEU A 63 19.399 70.984 -41.440 1.00 64.35 N ATOM 913 CA LEU A 63 19.148 70.196 -42.639 1.00 53.53 C ATOM 914 C LEU A 63 19.983 68.920 -42.618 1.00 34.31 C ATOM 915 O LEU A 63 19.472 67.826 -42.860 1.00 74.53 O ATOM 916 CB LEU A 63 19.465 71.008 -43.899 1.00 24.15 C ATOM 917 CG LEU A 63 18.444 72.091 -44.277 1.00 14.34 C ATOM 918 CD1 LEU A 63 18.462 73.241 -43.281 1.00 52.54 C ATOM 919 CD2 LEU A 63 18.712 72.607 -45.683 1.00 61.01 C ATOM 0 H LEU A 63 19.719 71.935 -41.623 1.00 64.35 H new ATOM 0 HA LEU A 63 18.091 69.929 -42.656 1.00 53.53 H new ATOM 0 HB2 LEU A 63 20.437 71.484 -43.766 1.00 24.15 H new ATOM 0 HB3 LEU A 63 19.560 70.318 -44.737 1.00 24.15 H new ATOM 0 HG LEU A 63 17.453 71.638 -44.250 1.00 14.34 H new ATOM 0 HD11 LEU A 63 17.728 73.990 -43.577 1.00 52.54 H new ATOM 0 HD12 LEU A 63 18.217 72.866 -42.287 1.00 52.54 H new ATOM 0 HD13 LEU A 63 19.454 73.692 -43.264 1.00 52.54 H new ATOM 0 HD21 LEU A 63 17.979 73.374 -45.935 1.00 61.01 H new ATOM 0 HD22 LEU A 63 19.714 73.033 -45.729 1.00 61.01 H new ATOM 0 HD23 LEU A 63 18.635 71.784 -46.393 1.00 61.01 H new ATOM 931 N GLY A 64 21.265 69.064 -42.305 1.00 54.14 N ATOM 932 CA GLY A 64 22.142 67.916 -42.223 1.00 43.53 C ATOM 933 C GLY A 64 21.808 67.030 -41.043 1.00 42.50 C ATOM 934 O GLY A 64 21.854 65.800 -41.140 1.00 45.41 O ATOM 0 H GLY A 64 21.712 69.959 -42.106 1.00 54.14 H new ATOM 0 HA2 GLY A 64 22.068 67.337 -43.143 1.00 43.53 H new ATOM 0 HA3 GLY A 64 23.175 68.254 -42.141 1.00 43.53 H new ATOM 938 N GLY A 65 21.469 67.662 -39.928 1.00 25.24 N ATOM 939 CA GLY A 65 21.087 66.932 -38.738 1.00 5.50 C ATOM 940 C GLY A 65 19.868 66.063 -38.966 1.00 33.53 C ATOM 941 O GLY A 65 19.835 64.911 -38.538 1.00 11.34 O ATOM 0 H GLY A 65 21.452 68.677 -39.827 1.00 25.24 H new ATOM 0 HA2 GLY A 65 21.920 66.308 -38.413 1.00 5.50 H new ATOM 0 HA3 GLY A 65 20.883 67.636 -37.932 1.00 5.50 H new ATOM 945 N LEU A 66 18.870 66.613 -39.653 1.00 53.33 N ATOM 946 CA LEU A 66 17.652 65.875 -39.973 1.00 72.23 C ATOM 947 C LEU A 66 17.976 64.618 -40.768 1.00 34.12 C ATOM 948 O LEU A 66 17.544 63.525 -40.414 1.00 33.03 O ATOM 949 CB LEU A 66 16.681 66.751 -40.772 1.00 31.31 C ATOM 950 CG LEU A 66 16.115 67.955 -40.017 1.00 64.21 C ATOM 951 CD1 LEU A 66 15.242 68.795 -40.938 1.00 22.03 C ATOM 952 CD2 LEU A 66 15.321 67.497 -38.803 1.00 65.03 C ATOM 0 H LEU A 66 18.882 67.572 -40.000 1.00 53.33 H new ATOM 0 HA LEU A 66 17.180 65.588 -39.033 1.00 72.23 H new ATOM 0 HB2 LEU A 66 17.192 67.110 -41.665 1.00 31.31 H new ATOM 0 HB3 LEU A 66 15.850 66.131 -41.108 1.00 31.31 H new ATOM 0 HG LEU A 66 16.947 68.570 -39.672 1.00 64.21 H new ATOM 0 HD11 LEU A 66 14.847 69.648 -40.386 1.00 22.03 H new ATOM 0 HD12 LEU A 66 15.837 69.151 -41.779 1.00 22.03 H new ATOM 0 HD13 LEU A 66 14.416 68.189 -41.309 1.00 22.03 H new ATOM 0 HD21 LEU A 66 14.926 68.366 -38.278 1.00 65.03 H new ATOM 0 HD22 LEU A 66 14.496 66.862 -39.126 1.00 65.03 H new ATOM 0 HD23 LEU A 66 15.972 66.934 -38.134 1.00 65.03 H new ATOM 964 N LEU A 67 18.765 64.781 -41.824 1.00 53.21 N ATOM 965 CA LEU A 67 19.116 63.668 -42.703 1.00 64.45 C ATOM 966 C LEU A 67 19.902 62.589 -41.957 1.00 60.43 C ATOM 967 O LEU A 67 19.813 61.409 -42.289 1.00 44.24 O ATOM 968 CB LEU A 67 19.924 64.167 -43.902 1.00 51.43 C ATOM 969 CG LEU A 67 19.179 65.125 -44.835 1.00 3.00 C ATOM 970 CD1 LEU A 67 20.096 65.592 -45.952 1.00 70.32 C ATOM 971 CD2 LEU A 67 17.935 64.453 -45.406 1.00 22.21 C ATOM 0 H LEU A 67 19.175 65.675 -42.094 1.00 53.21 H new ATOM 0 HA LEU A 67 18.186 63.224 -43.057 1.00 64.45 H new ATOM 0 HB2 LEU A 67 20.820 64.667 -43.534 1.00 51.43 H new ATOM 0 HB3 LEU A 67 20.255 63.305 -44.481 1.00 51.43 H new ATOM 0 HG LEU A 67 18.864 65.996 -44.261 1.00 3.00 H new ATOM 0 HD11 LEU A 67 19.553 66.273 -46.608 1.00 70.32 H new ATOM 0 HD12 LEU A 67 20.956 66.108 -45.525 1.00 70.32 H new ATOM 0 HD13 LEU A 67 20.438 64.731 -46.526 1.00 70.32 H new ATOM 0 HD21 LEU A 67 17.417 65.148 -46.067 1.00 22.21 H new ATOM 0 HD22 LEU A 67 18.226 63.566 -45.968 1.00 22.21 H new ATOM 0 HD23 LEU A 67 17.271 64.164 -44.591 1.00 22.21 H new ATOM 983 N SER A 68 20.666 62.996 -40.954 1.00 40.32 N ATOM 984 CA SER A 68 21.455 62.058 -40.173 1.00 11.31 C ATOM 985 C SER A 68 20.593 61.404 -39.090 1.00 75.02 C ATOM 986 O SER A 68 20.759 60.224 -38.772 1.00 75.11 O ATOM 987 CB SER A 68 22.651 62.774 -39.541 1.00 0.14 C ATOM 988 OG SER A 68 23.502 61.866 -38.862 1.00 4.11 O ATOM 0 H SER A 68 20.756 63.969 -40.663 1.00 40.32 H new ATOM 0 HA SER A 68 21.825 61.277 -40.837 1.00 11.31 H new ATOM 0 HB2 SER A 68 23.216 63.294 -40.315 1.00 0.14 H new ATOM 0 HB3 SER A 68 22.295 63.532 -38.843 1.00 0.14 H new ATOM 0 HG SER A 68 24.256 62.354 -38.471 1.00 4.11 H new ATOM 994 N ASN A 69 19.658 62.170 -38.540 1.00 22.22 N ATOM 995 CA ASN A 69 18.805 61.681 -37.460 1.00 3.21 C ATOM 996 C ASN A 69 17.589 60.937 -37.992 1.00 33.23 C ATOM 997 O ASN A 69 16.641 60.671 -37.254 1.00 41.32 O ATOM 998 CB ASN A 69 18.376 62.828 -36.538 1.00 53.44 C ATOM 999 CG ASN A 69 19.499 63.252 -35.607 1.00 25.14 C ATOM 1000 OD1 ASN A 69 20.350 62.439 -35.238 1.00 41.35 O ATOM 1001 ND2 ASN A 69 19.513 64.517 -35.220 1.00 2.13 N ATOM 0 H ASN A 69 19.470 63.132 -38.823 1.00 22.22 H new ATOM 0 HA ASN A 69 19.395 60.973 -36.879 1.00 3.21 H new ATOM 0 HB2 ASN A 69 18.061 63.680 -37.140 1.00 53.44 H new ATOM 0 HB3 ASN A 69 17.513 62.518 -35.949 1.00 53.44 H new ATOM 0 HD21 ASN A 69 20.246 64.851 -34.594 1.00 2.13 H new ATOM 0 HD22 ASN A 69 18.791 65.159 -35.548 1.00 2.13 H new ATOM 1008 N ILE A 70 17.620 60.601 -39.275 1.00 71.41 N ATOM 1009 CA ILE A 70 16.633 59.694 -39.844 1.00 54.25 C ATOM 1010 C ILE A 70 16.911 58.285 -39.331 1.00 15.54 C ATOM 1011 O ILE A 70 16.001 57.480 -39.146 1.00 23.53 O ATOM 1012 CB ILE A 70 16.672 59.695 -41.397 1.00 3.10 C ATOM 1013 CG1 ILE A 70 16.365 61.091 -41.948 1.00 23.53 C ATOM 1014 CG2 ILE A 70 15.693 58.678 -41.972 1.00 12.32 C ATOM 1015 CD1 ILE A 70 14.986 61.606 -41.588 1.00 42.43 C ATOM 0 H ILE A 70 18.315 60.942 -39.939 1.00 71.41 H new ATOM 0 HA ILE A 70 15.642 60.030 -39.539 1.00 54.25 H new ATOM 0 HB ILE A 70 17.680 59.412 -41.702 1.00 3.10 H new ATOM 0 HG12 ILE A 70 17.112 61.791 -41.573 1.00 23.53 H new ATOM 0 HG13 ILE A 70 16.462 61.072 -43.033 1.00 23.53 H new ATOM 0 HG21 ILE A 70 15.742 58.701 -43.061 1.00 12.32 H new ATOM 0 HG22 ILE A 70 15.954 57.681 -41.618 1.00 12.32 H new ATOM 0 HG23 ILE A 70 14.681 58.924 -41.649 1.00 12.32 H new ATOM 0 HD11 ILE A 70 14.846 62.599 -42.015 1.00 42.43 H new ATOM 0 HD12 ILE A 70 14.230 60.930 -41.986 1.00 42.43 H new ATOM 0 HD13 ILE A 70 14.889 61.660 -40.504 1.00 42.43 H new ATOM 1129 N MET A 78 18.362 43.431 -41.258 1.00 12.00 N ATOM 1130 CA MET A 78 18.564 41.997 -41.320 1.00 2.03 C ATOM 1131 C MET A 78 19.350 41.527 -40.106 1.00 70.13 C ATOM 1132 O MET A 78 20.562 41.725 -40.021 1.00 44.34 O ATOM 1133 CB MET A 78 19.309 41.621 -42.601 1.00 63.14 C ATOM 1134 CG MET A 78 19.569 40.128 -42.738 1.00 52.15 C ATOM 1135 SD MET A 78 20.504 39.717 -44.225 1.00 73.31 S ATOM 1136 CE MET A 78 19.399 40.318 -45.502 1.00 35.54 C ATOM 0 HA MET A 78 17.590 41.508 -41.324 1.00 2.03 H new ATOM 0 HB2 MET A 78 18.731 41.961 -43.461 1.00 63.14 H new ATOM 0 HB3 MET A 78 20.261 42.151 -42.627 1.00 63.14 H new ATOM 0 HG2 MET A 78 20.115 39.777 -41.862 1.00 52.15 H new ATOM 0 HG3 MET A 78 18.617 39.598 -42.754 1.00 52.15 H new ATOM 0 HE1 MET A 78 19.655 39.852 -46.454 1.00 35.54 H new ATOM 0 HE2 MET A 78 18.371 40.068 -45.240 1.00 35.54 H new ATOM 0 HE3 MET A 78 19.499 41.400 -45.590 1.00 35.54 H new ATOM 1146 N VAL A 79 18.659 40.915 -39.164 1.00 63.22 N ATOM 1147 CA VAL A 79 19.299 40.407 -37.968 1.00 53.31 C ATOM 1148 C VAL A 79 19.846 39.013 -38.226 1.00 34.33 C ATOM 1149 O VAL A 79 19.117 38.020 -38.182 1.00 23.05 O ATOM 1150 CB VAL A 79 18.337 40.381 -36.762 1.00 51.15 C ATOM 1151 CG1 VAL A 79 19.046 39.882 -35.510 1.00 62.34 C ATOM 1152 CG2 VAL A 79 17.742 41.758 -36.525 1.00 20.14 C ATOM 0 H VAL A 79 17.652 40.758 -39.205 1.00 63.22 H new ATOM 0 HA VAL A 79 20.117 41.084 -37.720 1.00 53.31 H new ATOM 0 HB VAL A 79 17.527 39.689 -36.990 1.00 51.15 H new ATOM 0 HG11 VAL A 79 18.346 39.873 -34.675 1.00 62.34 H new ATOM 0 HG12 VAL A 79 19.419 38.872 -35.681 1.00 62.34 H new ATOM 0 HG13 VAL A 79 19.881 40.543 -35.277 1.00 62.34 H new ATOM 0 HG21 VAL A 79 17.066 41.720 -35.671 1.00 20.14 H new ATOM 0 HG22 VAL A 79 18.542 42.470 -36.324 1.00 20.14 H new ATOM 0 HG23 VAL A 79 17.190 42.073 -37.411 1.00 20.14 H new ATOM 1162 N THR A 80 21.120 38.956 -38.561 1.00 24.24 N ATOM 1163 CA THR A 80 21.798 37.696 -38.758 1.00 43.31 C ATOM 1164 C THR A 80 22.670 37.381 -37.549 1.00 22.22 C ATOM 1165 O THR A 80 22.702 38.150 -36.585 1.00 20.53 O ATOM 1166 CB THR A 80 22.648 37.718 -40.038 1.00 4.42 C ATOM 1167 OG1 THR A 80 23.231 39.012 -40.206 1.00 23.43 O ATOM 1168 CG2 THR A 80 21.811 37.374 -41.261 1.00 23.11 C ATOM 0 H THR A 80 21.708 39.777 -38.703 1.00 24.24 H new ATOM 0 HA THR A 80 21.045 36.916 -38.869 1.00 43.31 H new ATOM 0 HB THR A 80 23.432 36.968 -39.938 1.00 4.42 H new ATOM 0 HG1 THR A 80 23.551 39.342 -39.340 1.00 23.43 H new ATOM 0 HG21 THR A 80 22.440 37.398 -42.151 1.00 23.11 H new ATOM 0 HG22 THR A 80 21.387 36.377 -41.143 1.00 23.11 H new ATOM 0 HG23 THR A 80 21.005 38.101 -41.367 1.00 23.11 H new ATOM 1176 N ASN A 81 23.369 36.263 -37.593 1.00 12.13 N ATOM 1177 CA ASN A 81 24.151 35.821 -36.451 1.00 13.33 C ATOM 1178 C ASN A 81 25.537 36.456 -36.439 1.00 53.52 C ATOM 1179 O ASN A 81 26.004 36.909 -35.393 1.00 72.31 O ATOM 1180 CB ASN A 81 24.256 34.294 -36.442 1.00 31.34 C ATOM 1181 CG ASN A 81 25.086 33.770 -35.287 1.00 23.22 C ATOM 1182 OD1 ASN A 81 24.595 33.642 -34.163 1.00 55.05 O ATOM 1183 ND2 ASN A 81 26.337 33.430 -35.558 1.00 51.02 N ATOM 0 H ASN A 81 23.412 35.645 -38.403 1.00 12.13 H new ATOM 0 HA ASN A 81 23.636 36.145 -35.547 1.00 13.33 H new ATOM 0 HB2 ASN A 81 23.255 33.866 -36.388 1.00 31.34 H new ATOM 0 HB3 ASN A 81 24.696 33.959 -37.381 1.00 31.34 H new ATOM 0 HD21 ASN A 81 26.932 33.047 -34.823 1.00 51.02 H new ATOM 0 HD22 ASN A 81 26.706 33.552 -36.501 1.00 51.02 H new ATOM 1190 N ASP A 82 26.186 36.504 -37.593 1.00 32.11 N ATOM 1191 CA ASP A 82 27.566 36.980 -37.657 1.00 24.13 C ATOM 1192 C ASP A 82 27.666 38.354 -38.325 1.00 61.51 C ATOM 1193 O ASP A 82 28.755 38.909 -38.473 1.00 75.51 O ATOM 1194 CB ASP A 82 28.438 35.962 -38.397 1.00 23.52 C ATOM 1195 CG ASP A 82 29.917 36.173 -38.142 1.00 72.21 C ATOM 1196 OD1 ASP A 82 30.359 35.955 -36.993 1.00 63.25 O ATOM 1197 OD2 ASP A 82 30.646 36.534 -39.087 1.00 30.43 O1- ATOM 0 H ASP A 82 25.788 36.224 -38.489 1.00 32.11 H new ATOM 0 HA ASP A 82 27.927 37.089 -36.634 1.00 24.13 H new ATOM 0 HB2 ASP A 82 28.159 34.955 -38.087 1.00 23.52 H new ATOM 0 HB3 ASP A 82 28.243 36.031 -39.467 1.00 23.52 H new ATOM 1202 N TYR A 83 26.532 38.913 -38.721 1.00 2.10 N ATOM 1203 CA TYR A 83 26.517 40.240 -39.323 1.00 61.22 C ATOM 1204 C TYR A 83 25.626 41.187 -38.531 1.00 25.13 C ATOM 1205 O TYR A 83 24.450 40.903 -38.300 1.00 35.42 O ATOM 1206 CB TYR A 83 26.015 40.187 -40.768 1.00 22.35 C ATOM 1207 CG TYR A 83 26.925 39.473 -41.742 1.00 63.34 C ATOM 1208 CD1 TYR A 83 26.776 38.116 -41.999 1.00 54.31 C ATOM 1209 CD2 TYR A 83 27.912 40.168 -42.429 1.00 61.31 C ATOM 1210 CE1 TYR A 83 27.590 37.471 -42.911 1.00 54.50 C ATOM 1211 CE2 TYR A 83 28.731 39.528 -43.339 1.00 43.02 C ATOM 1212 CZ TYR A 83 28.564 38.183 -43.577 1.00 0.23 C ATOM 1213 OH TYR A 83 29.373 37.548 -44.493 1.00 35.22 O ATOM 0 H TYR A 83 25.616 38.473 -38.638 1.00 2.10 H new ATOM 0 HA TYR A 83 27.543 40.607 -39.311 1.00 61.22 H new ATOM 0 HB2 TYR A 83 25.042 39.697 -40.779 1.00 22.35 H new ATOM 0 HB3 TYR A 83 25.862 41.207 -41.120 1.00 22.35 H new ATOM 0 HD1 TYR A 83 26.013 37.557 -41.478 1.00 54.31 H new ATOM 0 HD2 TYR A 83 28.041 41.225 -42.249 1.00 61.31 H new ATOM 0 HE1 TYR A 83 27.463 36.415 -43.101 1.00 54.50 H new ATOM 0 HE2 TYR A 83 29.498 40.080 -43.861 1.00 43.02 H new ATOM 0 HH TYR A 83 30.006 38.193 -44.873 1.00 35.22 H new ATOM 1223 N ILE A 84 26.184 42.308 -38.109 1.00 71.04 N ATOM 1224 CA ILE A 84 25.392 43.361 -37.496 1.00 33.43 C ATOM 1225 C ILE A 84 25.150 44.447 -38.535 1.00 24.33 C ATOM 1226 O ILE A 84 25.938 45.381 -38.681 1.00 13.30 O ATOM 1227 CB ILE A 84 26.064 43.983 -36.238 1.00 35.11 C ATOM 1228 CG1 ILE A 84 26.394 42.912 -35.190 1.00 70.51 C ATOM 1229 CG2 ILE A 84 25.163 45.046 -35.625 1.00 63.41 C ATOM 1230 CD1 ILE A 84 27.659 42.126 -35.489 1.00 21.15 C ATOM 0 H ILE A 84 27.181 42.513 -38.179 1.00 71.04 H new ATOM 0 HA ILE A 84 24.456 42.916 -37.158 1.00 33.43 H new ATOM 0 HB ILE A 84 26.998 44.444 -36.558 1.00 35.11 H new ATOM 0 HG12 ILE A 84 26.497 43.391 -34.216 1.00 70.51 H new ATOM 0 HG13 ILE A 84 25.556 42.219 -35.117 1.00 70.51 H new ATOM 0 HG21 ILE A 84 25.648 45.471 -34.746 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.981 45.834 -36.356 1.00 63.41 H new ATOM 0 HG23 ILE A 84 24.214 44.595 -35.334 1.00 63.41 H new ATOM 0 HD11 ILE A 84 27.824 41.389 -34.703 1.00 21.15 H new ATOM 0 HD12 ILE A 84 27.553 41.617 -36.447 1.00 21.15 H new ATOM 0 HD13 ILE A 84 28.509 42.807 -35.532 1.00 21.15 H new ATOM 1242 N VAL A 85 24.081 44.296 -39.292 1.00 45.21 N ATOM 1243 CA VAL A 85 23.826 45.179 -40.414 1.00 41.00 C ATOM 1244 C VAL A 85 22.430 45.788 -40.335 1.00 52.13 C ATOM 1245 O VAL A 85 21.459 45.112 -39.996 1.00 43.50 O ATOM 1246 CB VAL A 85 24.007 44.430 -41.757 1.00 62.43 C ATOM 1247 CG1 VAL A 85 23.115 43.200 -41.826 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.740 45.352 -42.934 1.00 64.33 C ATOM 0 H VAL A 85 23.376 43.572 -39.151 1.00 45.21 H new ATOM 0 HA VAL A 85 24.554 45.989 -40.365 1.00 41.00 H new ATOM 0 HB VAL A 85 25.044 44.097 -41.812 1.00 62.43 H new ATOM 0 HG11 VAL A 85 23.264 42.695 -42.780 1.00 1.04 H new ATOM 0 HG12 VAL A 85 23.369 42.520 -41.012 1.00 1.04 H new ATOM 0 HG13 VAL A 85 22.072 43.502 -41.735 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.874 44.801 -43.865 1.00 64.33 H new ATOM 0 HG22 VAL A 85 22.718 45.727 -42.878 1.00 64.33 H new ATOM 0 HG23 VAL A 85 24.436 46.190 -42.905 1.00 64.33 H new ATOM 1258 N ASP A 86 22.347 47.074 -40.627 1.00 31.13 N ATOM 1259 CA ASP A 86 21.075 47.767 -40.678 1.00 20.21 C ATOM 1260 C ASP A 86 21.073 48.768 -41.821 1.00 24.31 C ATOM 1261 O ASP A 86 22.125 49.258 -42.233 1.00 74.51 O ATOM 1262 CB ASP A 86 20.760 48.458 -39.344 1.00 4.42 C ATOM 1263 CG ASP A 86 21.835 49.423 -38.878 1.00 33.31 C ATOM 1264 OD1 ASP A 86 22.837 48.964 -38.288 1.00 21.44 O ATOM 1265 OD2 ASP A 86 21.655 50.645 -39.049 1.00 45.22 O1- ATOM 0 H ASP A 86 23.154 47.662 -40.834 1.00 31.13 H new ATOM 0 HA ASP A 86 20.291 47.030 -40.855 1.00 20.21 H new ATOM 0 HB2 ASP A 86 19.818 48.999 -39.440 1.00 4.42 H new ATOM 0 HB3 ASP A 86 20.613 47.696 -38.578 1.00 4.42 H new ATOM 1270 N ILE A 87 19.886 49.039 -42.345 1.00 70.13 N ATOM 1271 CA ILE A 87 19.728 49.923 -43.490 1.00 11.31 C ATOM 1272 C ILE A 87 19.473 51.352 -43.028 1.00 5.45 C ATOM 1273 O ILE A 87 18.454 51.639 -42.400 1.00 31.44 O ATOM 1274 CB ILE A 87 18.561 49.455 -44.389 1.00 73.15 C ATOM 1275 CG1 ILE A 87 18.821 48.028 -44.889 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.369 50.408 -45.563 1.00 33.35 C ATOM 1277 CD1 ILE A 87 17.694 47.463 -45.724 1.00 31.30 C ATOM 0 H ILE A 87 19.010 48.655 -41.991 1.00 70.13 H new ATOM 0 HA ILE A 87 20.652 49.891 -44.067 1.00 11.31 H new ATOM 0 HB ILE A 87 17.645 49.457 -43.799 1.00 73.15 H new ATOM 0 HG12 ILE A 87 19.738 48.020 -45.479 1.00 41.53 H new ATOM 0 HG13 ILE A 87 18.988 47.376 -44.031 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.543 50.060 -46.183 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.146 51.407 -45.188 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.281 50.440 -46.159 1.00 33.35 H new ATOM 0 HD11 ILE A 87 17.948 46.452 -46.042 1.00 31.30 H new ATOM 0 HD12 ILE A 87 16.779 47.438 -45.131 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.541 48.091 -46.601 1.00 31.30 H new ATOM 1289 N ALA A 88 20.403 52.240 -43.336 1.00 34.53 N ATOM 1290 CA ALA A 88 20.284 53.632 -42.948 1.00 21.21 C ATOM 1291 C ALA A 88 20.056 54.511 -44.167 1.00 23.43 C ATOM 1292 O ALA A 88 20.916 54.614 -45.042 1.00 54.14 O ATOM 1293 CB ALA A 88 21.530 54.079 -42.202 1.00 40.44 C ATOM 0 H ALA A 88 21.252 52.019 -43.856 1.00 34.53 H new ATOM 0 HA ALA A 88 19.424 53.732 -42.286 1.00 21.21 H new ATOM 0 HB1 ALA A 88 21.427 55.126 -41.917 1.00 40.44 H new ATOM 0 HB2 ALA A 88 21.657 53.470 -41.307 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.401 53.962 -42.846 1.00 40.44 H new ATOM 1299 N ASN A 89 18.887 55.119 -44.242 1.00 52.24 N ATOM 1300 CA ASN A 89 18.608 56.075 -45.298 1.00 21.13 C ATOM 1301 C ASN A 89 18.984 57.474 -44.836 1.00 22.12 C ATOM 1302 O ASN A 89 18.171 58.199 -44.263 1.00 62.21 O ATOM 1303 CB ASN A 89 17.138 56.019 -45.725 1.00 44.43 C ATOM 1304 CG ASN A 89 16.808 56.994 -46.846 1.00 51.24 C ATOM 1305 OD1 ASN A 89 16.383 58.122 -46.603 1.00 34.21 O ATOM 1306 ND2 ASN A 89 17.004 56.568 -48.084 1.00 52.10 N ATOM 0 H ASN A 89 18.119 54.969 -43.588 1.00 52.24 H new ATOM 0 HA ASN A 89 19.210 55.815 -46.169 1.00 21.13 H new ATOM 0 HB2 ASN A 89 16.898 55.006 -46.049 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.506 56.237 -44.864 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.801 57.182 -48.873 1.00 52.10 H new ATOM 0 HD22 ASN A 89 17.358 55.626 -48.249 1.00 52.10 H new ATOM 1313 N ARG A 90 20.241 57.827 -45.043 1.00 34.23 N ATOM 1314 CA ARG A 90 20.727 59.151 -44.702 1.00 61.53 C ATOM 1315 C ARG A 90 21.004 59.943 -45.965 1.00 14.51 C ATOM 1316 O ARG A 90 21.506 59.391 -46.948 1.00 31.12 O ATOM 1317 CB ARG A 90 22.008 59.075 -43.858 1.00 1.00 C ATOM 1318 CG ARG A 90 22.696 60.428 -43.695 1.00 75.44 C ATOM 1319 CD ARG A 90 24.057 60.321 -43.029 1.00 14.21 C ATOM 1320 NE ARG A 90 24.854 61.531 -43.248 1.00 45.22 N ATOM 1321 CZ ARG A 90 25.927 61.873 -42.537 1.00 45.51 C ATOM 1322 NH1 ARG A 90 26.280 61.172 -41.464 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 26.621 62.947 -42.889 1.00 21.12 N ATOM 0 H ARG A 90 20.946 57.211 -45.448 1.00 34.23 H new ATOM 0 HA ARG A 90 19.955 59.649 -44.115 1.00 61.53 H new ATOM 0 HB2 ARG A 90 21.765 58.676 -42.873 1.00 1.00 H new ATOM 0 HB3 ARG A 90 22.702 58.374 -44.323 1.00 1.00 H new ATOM 0 HG2 ARG A 90 22.812 60.892 -44.675 1.00 75.44 H new ATOM 0 HG3 ARG A 90 22.058 61.086 -43.104 1.00 75.44 H new ATOM 0 HD2 ARG A 90 23.929 60.156 -41.959 1.00 14.21 H new ATOM 0 HD3 ARG A 90 24.590 59.456 -43.423 1.00 14.21 H new ATOM 0 HE ARG A 90 24.566 62.157 -44.000 1.00 45.22 H new ATOM 0 HH11 ARG A 90 25.727 60.364 -41.178 1.00 34.45 H new ATOM 0 HH12 ARG A 90 27.104 61.442 -40.926 1.00 34.45 H new ATOM 0 HH21 ARG A 90 26.331 63.500 -43.696 1.00 21.12 H new ATOM 0 HH22 ARG A 90 27.445 63.220 -42.353 1.00 21.12 H new ATOM 1337 N ASP A 91 20.647 61.224 -45.943 1.00 14.33 N ATOM 1338 CA ASP A 91 21.000 62.152 -47.015 1.00 71.02 C ATOM 1339 C ASP A 91 20.249 61.789 -48.297 1.00 43.52 C ATOM 1340 O ASP A 91 20.630 62.182 -49.401 1.00 61.51 O ATOM 1341 CB ASP A 91 22.524 62.126 -47.229 1.00 34.34 C ATOM 1342 CG ASP A 91 23.081 63.429 -47.758 1.00 2.00 C ATOM 1343 OD1 ASP A 91 23.676 63.429 -48.855 1.00 21.24 O ATOM 1344 OD2 ASP A 91 22.952 64.459 -47.068 1.00 32.31 O1- ATOM 0 H ASP A 91 20.108 61.647 -45.187 1.00 14.33 H new ATOM 0 HA ASP A 91 20.707 63.165 -46.738 1.00 71.02 H new ATOM 0 HB2 ASP A 91 23.012 61.889 -46.284 1.00 34.34 H new ATOM 0 HB3 ASP A 91 22.772 61.325 -47.925 1.00 34.34 H new ATOM 1349 N GLY A 92 19.153 61.052 -48.129 1.00 75.32 N ATOM 1350 CA GLY A 92 18.366 60.601 -49.261 1.00 62.34 C ATOM 1351 C GLY A 92 19.054 59.500 -50.039 1.00 52.21 C ATOM 1352 O GLY A 92 18.746 59.270 -51.209 1.00 23.30 O ATOM 0 H GLY A 92 18.795 60.758 -47.220 1.00 75.32 H new ATOM 0 HA2 GLY A 92 17.399 60.243 -48.908 1.00 62.34 H new ATOM 0 HA3 GLY A 92 18.172 61.444 -49.924 1.00 62.34 H new ATOM 1356 N GLN A 93 19.995 58.823 -49.398 1.00 55.42 N ATOM 1357 CA GLN A 93 20.719 57.737 -50.037 1.00 43.03 C ATOM 1358 C GLN A 93 20.590 56.471 -49.202 1.00 53.23 C ATOM 1359 O GLN A 93 20.616 56.526 -47.974 1.00 62.41 O ATOM 1360 CB GLN A 93 22.205 58.098 -50.195 1.00 32.14 C ATOM 1361 CG GLN A 93 22.472 59.526 -50.663 1.00 62.32 C ATOM 1362 CD GLN A 93 22.386 59.727 -52.171 1.00 5.43 C ATOM 1363 OE1 GLN A 93 21.519 58.989 -52.845 1.00 25.23 O flip ATOM 1364 NE2 GLN A 93 23.093 60.566 -52.726 1.00 33.20 N flip ATOM 0 H GLN A 93 20.275 59.008 -48.435 1.00 55.42 H new ATOM 0 HA GLN A 93 20.291 57.569 -51.025 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.705 57.945 -49.239 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.658 57.407 -50.906 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.757 60.192 -50.180 1.00 62.32 H new ATOM 0 HG3 GLN A 93 23.465 59.825 -50.326 1.00 62.32 H new ATOM 0 HE21 GLN A 93 23.752 61.120 -52.179 1.00 33.20 H new ATOM 0 HE22 GLN A 93 23.020 60.708 -53.733 1.00 33.20 H new ATOM 1373 N LEU A 94 20.439 55.335 -49.869 1.00 22.14 N ATOM 1374 CA LEU A 94 20.376 54.053 -49.178 1.00 50.31 C ATOM 1375 C LEU A 94 21.779 53.601 -48.808 1.00 43.43 C ATOM 1376 O LEU A 94 22.623 53.392 -49.677 1.00 52.24 O ATOM 1377 CB LEU A 94 19.687 52.988 -50.042 1.00 41.23 C ATOM 1378 CG LEU A 94 18.154 53.050 -50.080 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.584 52.947 -48.675 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.674 54.323 -50.758 1.00 42.11 C ATOM 0 H LEU A 94 20.358 55.274 -50.884 1.00 22.14 H new ATOM 0 HA LEU A 94 19.785 54.181 -48.271 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.061 53.077 -51.062 1.00 41.23 H new ATOM 0 HB3 LEU A 94 19.983 52.004 -49.678 1.00 41.23 H new ATOM 0 HG LEU A 94 17.796 52.203 -50.665 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.496 52.993 -48.720 1.00 1.43 H new ATOM 0 HD12 LEU A 94 17.890 52.002 -48.227 1.00 1.43 H new ATOM 0 HD13 LEU A 94 17.957 53.773 -48.069 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.584 54.340 -50.771 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.044 55.189 -50.209 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.049 54.354 -51.781 1.00 42.11 H new ATOM 1392 N GLN A 95 22.030 53.475 -47.519 1.00 22.34 N ATOM 1393 CA GLN A 95 23.349 53.118 -47.031 1.00 52.10 C ATOM 1394 C GLN A 95 23.283 51.866 -46.164 1.00 55.53 C ATOM 1395 O GLN A 95 22.550 51.817 -45.176 1.00 20.22 O ATOM 1396 CB GLN A 95 23.925 54.301 -46.250 1.00 54.30 C ATOM 1397 CG GLN A 95 25.270 54.033 -45.590 1.00 4.25 C ATOM 1398 CD GLN A 95 25.919 55.298 -45.053 1.00 5.40 C ATOM 1399 OE1 GLN A 95 25.756 56.404 -45.768 1.00 14.41 O flip ATOM 1400 NE2 GLN A 95 26.594 55.278 -44.022 1.00 5.31 N flip ATOM 0 H GLN A 95 21.334 53.615 -46.787 1.00 22.34 H new ATOM 0 HA GLN A 95 24.003 52.893 -47.874 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.030 55.149 -46.927 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.210 54.594 -45.481 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.135 53.323 -44.774 1.00 4.25 H new ATOM 0 HG3 GLN A 95 25.938 53.565 -46.312 1.00 4.25 H new ATOM 0 HE21 GLN A 95 26.698 54.410 -43.497 1.00 5.31 H new ATOM 0 HE22 GLN A 95 27.049 56.130 -43.694 1.00 5.31 H new ATOM 1409 N LEU A 96 24.031 50.850 -46.564 1.00 75.11 N ATOM 1410 CA LEU A 96 24.066 49.593 -45.839 1.00 53.33 C ATOM 1411 C LEU A 96 25.310 49.537 -44.960 1.00 12.32 C ATOM 1412 O LEU A 96 26.429 49.383 -45.456 1.00 51.50 O ATOM 1413 CB LEU A 96 24.068 48.423 -46.828 1.00 11.23 C ATOM 1414 CG LEU A 96 23.777 47.050 -46.221 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.338 46.975 -45.734 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.061 45.951 -47.233 1.00 11.35 C ATOM 0 H LEU A 96 24.625 50.874 -47.393 1.00 75.11 H new ATOM 0 HA LEU A 96 23.182 49.520 -45.206 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.328 48.623 -47.603 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.041 48.386 -47.318 1.00 11.23 H new ATOM 0 HG LEU A 96 24.434 46.905 -45.364 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.150 45.991 -45.305 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.170 47.739 -44.975 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.661 47.141 -46.572 1.00 12.31 H new ATOM 0 HD21 LEU A 96 23.849 44.980 -46.785 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.429 46.092 -48.110 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.109 45.992 -47.530 1.00 11.35 H new ATOM 1428 N ASN A 97 25.120 49.686 -43.660 1.00 24.34 N ATOM 1429 CA ASN A 97 26.237 49.674 -42.727 1.00 24.31 C ATOM 1430 C ASN A 97 26.432 48.276 -42.149 1.00 43.41 C ATOM 1431 O ASN A 97 25.758 47.890 -41.192 1.00 33.42 O ATOM 1432 CB ASN A 97 26.007 50.678 -41.589 1.00 32.34 C ATOM 1433 CG ASN A 97 25.780 52.096 -42.080 1.00 4.11 C ATOM 1434 OD1 ASN A 97 26.841 52.889 -42.161 1.00 11.22 O flip ATOM 1435 ND2 ASN A 97 24.652 52.483 -42.369 1.00 2.51 N flip ATOM 0 H ASN A 97 24.206 49.816 -43.226 1.00 24.34 H new ATOM 0 HA ASN A 97 27.135 49.963 -43.272 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.145 50.361 -41.002 1.00 32.34 H new ATOM 0 HB3 ASN A 97 26.869 50.665 -40.922 1.00 32.34 H new ATOM 0 HD21 ASN A 97 23.859 51.845 -42.295 1.00 2.51 H new ATOM 0 HD22 ASN A 97 24.507 53.442 -42.684 1.00 2.51 H new ATOM 1442 N VAL A 98 27.334 47.508 -42.747 1.00 45.14 N ATOM 1443 CA VAL A 98 27.622 46.160 -42.270 1.00 72.02 C ATOM 1444 C VAL A 98 28.695 46.191 -41.205 1.00 15.31 C ATOM 1445 O VAL A 98 29.879 46.334 -41.496 1.00 42.35 O ATOM 1446 CB VAL A 98 28.071 45.224 -43.407 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.438 43.845 -42.866 1.00 50.42 C ATOM 1448 CG2 VAL A 98 26.975 45.107 -44.445 1.00 24.02 C ATOM 0 H VAL A 98 27.878 47.794 -43.561 1.00 45.14 H new ATOM 0 HA VAL A 98 26.693 45.771 -41.853 1.00 72.02 H new ATOM 0 HB VAL A 98 28.959 45.651 -43.874 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.752 43.203 -43.689 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.254 43.941 -42.149 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.571 43.405 -42.373 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.301 44.443 -45.245 1.00 24.02 H new ATOM 0 HG22 VAL A 98 26.076 44.701 -43.981 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.757 46.092 -44.857 1.00 24.02 H new ATOM 1458 N THR A 99 28.270 46.065 -39.970 1.00 13.53 N ATOM 1459 CA THR A 99 29.182 46.019 -38.851 1.00 63.52 C ATOM 1460 C THR A 99 29.659 44.588 -38.631 1.00 34.14 C ATOM 1461 O THR A 99 28.885 43.726 -38.208 1.00 52.04 O ATOM 1462 CB THR A 99 28.496 46.553 -37.582 1.00 15.12 C ATOM 1463 OG1 THR A 99 28.019 47.880 -37.826 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.446 46.562 -36.393 1.00 64.32 C ATOM 0 H THR A 99 27.286 45.992 -39.713 1.00 13.53 H new ATOM 0 HA THR A 99 30.043 46.650 -39.070 1.00 63.52 H new ATOM 0 HB THR A 99 27.664 45.891 -37.340 1.00 15.12 H new ATOM 0 HG1 THR A 99 27.580 48.223 -37.020 1.00 32.14 H new ATOM 0 HG21 THR A 99 28.926 46.945 -35.515 1.00 64.32 H new ATOM 0 HG22 THR A 99 29.792 45.547 -36.196 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.301 47.200 -36.616 1.00 64.32 H new ATOM 1472 N ASP A 100 30.918 44.341 -38.967 1.00 61.11 N ATOM 1473 CA ASP A 100 31.505 43.012 -38.854 1.00 23.41 C ATOM 1474 C ASP A 100 31.550 42.549 -37.404 1.00 63.40 C ATOM 1475 O ASP A 100 31.750 43.349 -36.489 1.00 62.23 O ATOM 1476 CB ASP A 100 32.913 43.007 -39.447 1.00 14.41 C ATOM 1477 CG ASP A 100 33.572 41.643 -39.376 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.743 41.576 -38.953 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.918 40.631 -39.721 1.00 11.31 O1- ATOM 0 H ASP A 100 31.558 45.051 -39.323 1.00 61.11 H new ATOM 0 HA ASP A 100 30.876 42.318 -39.412 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.866 43.330 -40.487 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.529 43.732 -38.916 1.00 14.41 H new ATOM 1484 N ARG A 101 31.359 41.258 -37.213 1.00 1.22 N ATOM 1485 CA ARG A 101 31.348 40.662 -35.885 1.00 70.42 C ATOM 1486 C ARG A 101 32.739 40.154 -35.510 1.00 41.44 C ATOM 1487 O ARG A 101 33.062 40.000 -34.332 1.00 3.54 O ATOM 1488 CB ARG A 101 30.342 39.512 -35.866 1.00 70.04 C ATOM 1489 CG ARG A 101 30.206 38.802 -34.531 1.00 12.41 C ATOM 1490 CD ARG A 101 29.281 37.604 -34.653 1.00 13.24 C ATOM 1491 NE ARG A 101 29.277 36.775 -33.452 1.00 14.53 N ATOM 1492 CZ ARG A 101 29.417 35.451 -33.471 1.00 32.32 C ATOM 1493 NH1 ARG A 101 29.668 34.824 -34.617 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 29.330 34.757 -32.341 1.00 52.25 N ATOM 0 H ARG A 101 31.207 40.591 -37.970 1.00 1.22 H new ATOM 0 HA ARG A 101 31.058 41.417 -35.154 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.365 39.899 -36.156 1.00 70.04 H new ATOM 0 HB3 ARG A 101 30.633 38.782 -36.621 1.00 70.04 H new ATOM 0 HG2 ARG A 101 31.187 38.477 -34.185 1.00 12.41 H new ATOM 0 HG3 ARG A 101 29.817 39.493 -33.783 1.00 12.41 H new ATOM 0 HD2 ARG A 101 28.267 37.951 -34.854 1.00 13.24 H new ATOM 0 HD3 ARG A 101 29.586 36.999 -35.507 1.00 13.24 H new ATOM 0 HE ARG A 101 29.161 37.235 -32.549 1.00 14.53 H new ATOM 0 HH11 ARG A 101 29.753 35.357 -35.482 1.00 20.33 H new ATOM 0 HH12 ARG A 101 29.775 33.810 -34.631 1.00 20.33 H new ATOM 0 HH21 ARG A 101 29.156 35.239 -31.459 1.00 52.25 H new ATOM 0 HH22 ARG A 101 29.437 33.743 -32.356 1.00 52.25 H new ATOM 1508 N LYS A 102 33.560 39.903 -36.519 1.00 25.22 N ATOM 1509 CA LYS A 102 34.885 39.334 -36.311 1.00 51.24 C ATOM 1510 C LYS A 102 35.869 40.414 -35.881 1.00 24.03 C ATOM 1511 O LYS A 102 36.329 40.444 -34.740 1.00 61.52 O ATOM 1512 CB LYS A 102 35.376 38.684 -37.602 1.00 63.24 C ATOM 1513 CG LYS A 102 34.329 37.827 -38.287 1.00 64.00 C ATOM 1514 CD LYS A 102 34.750 37.477 -39.698 1.00 42.35 C ATOM 1515 CE LYS A 102 33.597 36.893 -40.494 1.00 32.33 C ATOM 1516 NZ LYS A 102 32.426 37.811 -40.535 1.00 73.14 N1+ ATOM 0 H LYS A 102 33.331 40.085 -37.496 1.00 25.22 H new ATOM 0 HA LYS A 102 34.820 38.583 -35.524 1.00 51.24 H new ATOM 0 HB2 LYS A 102 35.702 39.464 -38.290 1.00 63.24 H new ATOM 0 HB3 LYS A 102 36.248 38.069 -37.380 1.00 63.24 H new ATOM 0 HG2 LYS A 102 34.171 36.913 -37.714 1.00 64.00 H new ATOM 0 HG3 LYS A 102 33.377 38.358 -38.309 1.00 64.00 H new ATOM 0 HD2 LYS A 102 35.124 38.370 -40.199 1.00 42.35 H new ATOM 0 HD3 LYS A 102 35.571 36.761 -39.667 1.00 42.35 H new ATOM 0 HE2 LYS A 102 33.928 36.683 -41.511 1.00 32.33 H new ATOM 0 HE3 LYS A 102 33.297 35.942 -40.053 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 31.953 37.729 -41.458 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 31.758 37.556 -39.780 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 32.748 38.790 -40.397 1.00 73.14 H new ATOM 1530 N THR A 103 36.170 41.309 -36.805 1.00 32.11 N ATOM 1531 CA THR A 103 37.095 42.396 -36.555 1.00 65.25 C ATOM 1532 C THR A 103 36.342 43.612 -36.034 1.00 51.12 C ATOM 1533 O THR A 103 36.771 44.271 -35.086 1.00 72.12 O ATOM 1534 CB THR A 103 37.875 42.770 -37.833 1.00 3.51 C ATOM 1535 OG1 THR A 103 36.969 43.076 -38.905 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.794 41.635 -38.255 1.00 15.44 C ATOM 0 H THR A 103 35.780 41.302 -37.748 1.00 32.11 H new ATOM 0 HA THR A 103 37.811 42.064 -35.804 1.00 65.25 H new ATOM 0 HB THR A 103 38.478 43.650 -37.611 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.380 42.309 -39.064 1.00 71.14 H new ATOM 0 HG21 THR A 103 39.334 41.920 -39.158 1.00 15.44 H new ATOM 0 HG22 THR A 103 39.506 41.428 -37.457 1.00 15.44 H new ATOM 0 HG23 THR A 103 38.202 40.742 -38.454 1.00 15.44 H new ATOM 1544 N GLY A 104 35.202 43.888 -36.657 1.00 65.24 N ATOM 1545 CA GLY A 104 34.355 44.971 -36.217 1.00 42.41 C ATOM 1546 C GLY A 104 34.312 46.120 -37.198 1.00 24.42 C ATOM 1547 O GLY A 104 33.697 47.150 -36.920 1.00 13.23 O ATOM 0 H GLY A 104 34.851 43.374 -37.465 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.344 44.595 -36.062 1.00 42.41 H new ATOM 0 HA3 GLY A 104 34.711 45.336 -35.253 1.00 42.41 H new ATOM 1551 N GLN A 105 34.963 45.955 -38.344 1.00 51.35 N ATOM 1552 CA GLN A 105 34.897 46.962 -39.391 1.00 72.04 C ATOM 1553 C GLN A 105 33.468 47.138 -39.875 1.00 12.40 C ATOM 1554 O GLN A 105 32.760 46.162 -40.125 1.00 64.30 O ATOM 1555 CB GLN A 105 35.774 46.596 -40.587 1.00 71.44 C ATOM 1556 CG GLN A 105 37.247 46.892 -40.395 1.00 11.23 C ATOM 1557 CD GLN A 105 37.990 46.888 -41.715 1.00 44.43 C ATOM 1558 OE1 GLN A 105 38.508 45.862 -42.148 1.00 42.45 O ATOM 1559 NE2 GLN A 105 38.027 48.037 -42.376 1.00 23.32 N ATOM 0 H GLN A 105 35.536 45.142 -38.568 1.00 51.35 H new ATOM 0 HA GLN A 105 35.263 47.892 -38.956 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.654 45.534 -40.799 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.418 47.138 -41.463 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.364 47.863 -39.913 1.00 11.23 H new ATOM 0 HG3 GLN A 105 37.685 46.150 -39.728 1.00 11.23 H new ATOM 0 HE21 GLN A 105 37.584 48.867 -41.981 1.00 23.32 H new ATOM 0 HE22 GLN A 105 38.498 48.091 -43.279 1.00 23.32 H new ATOM 1568 N THR A 106 33.041 48.378 -40.000 1.00 25.35 N ATOM 1569 CA THR A 106 31.746 48.665 -40.570 1.00 43.25 C ATOM 1570 C THR A 106 31.886 48.891 -42.067 1.00 44.11 C ATOM 1571 O THR A 106 32.324 49.953 -42.511 1.00 33.22 O ATOM 1572 CB THR A 106 31.085 49.892 -39.911 1.00 61.32 C ATOM 1573 OG1 THR A 106 30.987 49.689 -38.494 1.00 1.35 O ATOM 1574 CG2 THR A 106 29.693 50.133 -40.481 1.00 5.13 C ATOM 0 H THR A 106 33.573 49.200 -39.714 1.00 25.35 H new ATOM 0 HA THR A 106 31.101 47.806 -40.383 1.00 43.25 H new ATOM 0 HB THR A 106 31.704 50.764 -40.119 1.00 61.32 H new ATOM 0 HG1 THR A 106 30.568 50.472 -38.080 1.00 1.35 H new ATOM 0 HG21 THR A 106 29.248 51.004 -39.999 1.00 5.13 H new ATOM 0 HG22 THR A 106 29.765 50.309 -41.554 1.00 5.13 H new ATOM 0 HG23 THR A 106 29.068 49.259 -40.298 1.00 5.13 H new ATOM 1582 N SER A 107 31.558 47.865 -42.836 1.00 30.10 N ATOM 1583 CA SER A 107 31.594 47.950 -44.279 1.00 71.15 C ATOM 1584 C SER A 107 30.417 48.784 -44.763 1.00 42.21 C ATOM 1585 O SER A 107 29.277 48.313 -44.792 1.00 53.14 O ATOM 1586 CB SER A 107 31.549 46.548 -44.880 1.00 62.32 C ATOM 1587 OG SER A 107 32.525 45.716 -44.271 1.00 35.01 O ATOM 0 H SER A 107 31.262 46.958 -42.476 1.00 30.10 H new ATOM 0 HA SER A 107 32.519 48.430 -44.599 1.00 71.15 H new ATOM 0 HB2 SER A 107 30.557 46.118 -44.741 1.00 62.32 H new ATOM 0 HB3 SER A 107 31.726 46.600 -45.954 1.00 62.32 H new ATOM 0 HG SER A 107 32.483 44.820 -44.665 1.00 35.01 H new ATOM 1593 N THR A 108 30.689 50.032 -45.093 1.00 61.34 N ATOM 1594 CA THR A 108 29.644 50.962 -45.454 1.00 45.01 C ATOM 1595 C THR A 108 29.371 50.914 -46.949 1.00 51.14 C ATOM 1596 O THR A 108 30.052 51.565 -47.741 1.00 24.12 O ATOM 1597 CB THR A 108 30.027 52.388 -45.044 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.833 52.345 -43.856 1.00 42.23 O ATOM 1599 CG2 THR A 108 28.781 53.211 -44.777 1.00 12.31 C ATOM 0 H THR A 108 31.630 50.424 -45.118 1.00 61.34 H new ATOM 0 HA THR A 108 28.738 50.671 -44.922 1.00 45.01 H new ATOM 0 HB THR A 108 30.590 52.849 -45.856 1.00 51.54 H new ATOM 0 HG1 THR A 108 31.079 53.257 -43.595 1.00 42.23 H new ATOM 0 HG21 THR A 108 29.068 54.222 -44.487 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.172 53.252 -45.680 1.00 12.31 H new ATOM 0 HG23 THR A 108 28.207 52.752 -43.972 1.00 12.31 H new ATOM 1607 N ILE A 109 28.384 50.121 -47.329 1.00 13.34 N ATOM 1608 CA ILE A 109 28.052 49.937 -48.730 1.00 55.11 C ATOM 1609 C ILE A 109 26.856 50.797 -49.108 1.00 14.15 C ATOM 1610 O ILE A 109 25.715 50.465 -48.791 1.00 1.14 O ATOM 1611 CB ILE A 109 27.735 48.455 -49.048 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.842 47.536 -48.518 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.551 48.257 -50.547 1.00 4.42 C ATOM 1614 CD1 ILE A 109 30.214 47.819 -49.096 1.00 12.41 C ATOM 0 H ILE A 109 27.797 49.593 -46.684 1.00 13.34 H new ATOM 0 HA ILE A 109 28.922 50.239 -49.313 1.00 55.11 H new ATOM 0 HB ILE A 109 26.803 48.192 -48.547 1.00 61.20 H new ATOM 0 HG12 ILE A 109 28.890 47.632 -47.433 1.00 73.01 H new ATOM 0 HG13 ILE A 109 28.575 46.502 -48.735 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.329 47.210 -50.751 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.726 48.878 -50.897 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.466 48.542 -51.067 1.00 4.42 H new ATOM 0 HD11 ILE A 109 30.939 47.126 -48.669 1.00 12.41 H new ATOM 0 HD12 ILE A 109 30.186 47.694 -50.178 1.00 12.41 H new ATOM 0 HD13 ILE A 109 30.506 48.842 -48.857 1.00 12.41 H new ATOM 1626 N GLN A 110 27.120 51.922 -49.755 1.00 42.43 N ATOM 1627 CA GLN A 110 26.047 52.773 -50.244 1.00 3.53 C ATOM 1628 C GLN A 110 25.456 52.208 -51.523 1.00 10.22 C ATOM 1629 O GLN A 110 26.121 51.466 -52.250 1.00 61.10 O ATOM 1630 CB GLN A 110 26.530 54.201 -50.486 1.00 51.25 C ATOM 1631 CG GLN A 110 26.660 55.004 -49.210 1.00 2.41 C ATOM 1632 CD GLN A 110 27.019 56.454 -49.458 1.00 4.14 C ATOM 1633 OE1 GLN A 110 26.627 57.043 -50.465 1.00 23.33 O ATOM 1634 NE2 GLN A 110 27.794 57.033 -48.554 1.00 32.10 N ATOM 0 H GLN A 110 28.060 52.265 -49.952 1.00 42.43 H new ATOM 0 HA GLN A 110 25.276 52.799 -49.474 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.496 54.172 -50.991 1.00 51.25 H new ATOM 0 HB3 GLN A 110 25.835 54.705 -51.157 1.00 51.25 H new ATOM 0 HG2 GLN A 110 25.720 54.957 -48.660 1.00 2.41 H new ATOM 0 HG3 GLN A 110 27.422 54.550 -48.577 1.00 2.41 H new ATOM 0 HE21 GLN A 110 28.098 56.510 -47.732 1.00 32.10 H new ATOM 0 HE22 GLN A 110 28.087 58.002 -48.679 1.00 32.10 H new ATOM 1643 N VAL A 111 24.204 52.554 -51.775 1.00 22.34 N ATOM 1644 CA VAL A 111 23.501 52.127 -52.974 1.00 74.24 C ATOM 1645 C VAL A 111 24.277 52.507 -54.236 1.00 21.00 C ATOM 1646 O VAL A 111 24.672 53.658 -54.418 1.00 75.11 O ATOM 1647 CB VAL A 111 22.080 52.734 -53.020 1.00 73.33 C ATOM 1648 CG1 VAL A 111 22.120 54.255 -52.926 1.00 13.23 C ATOM 1649 CG2 VAL A 111 21.347 52.297 -54.272 1.00 44.35 C ATOM 0 H VAL A 111 23.646 53.139 -51.153 1.00 22.34 H new ATOM 0 HA VAL A 111 23.418 51.041 -52.939 1.00 74.24 H new ATOM 0 HB VAL A 111 21.535 52.360 -52.153 1.00 73.33 H new ATOM 0 HG11 VAL A 111 21.104 54.649 -52.961 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.591 54.549 -51.988 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.694 54.656 -53.761 1.00 13.23 H new ATOM 0 HG21 VAL A 111 20.350 52.737 -54.282 1.00 44.35 H new ATOM 0 HG22 VAL A 111 21.899 52.629 -55.151 1.00 44.35 H new ATOM 0 HG23 VAL A 111 21.265 51.210 -54.285 1.00 44.35 H new