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= -1.41! K(o=-1.5!,f=-1) USER MOD Set 1.2: A 97 ASN : amide:sc= -0.304 K(o=-1.5,f=-2.2) USER MOD Set 1.3: A 108 THR OG1 : rot -97:sc= 0.168 USER MOD Set 2.1: A 93 GLN : amide:sc= -0.796 X(o=-0.45,f=-0.19) USER MOD Set 2.2: A 110 GLN : amide:sc= 0.343 K(o=-0.45,f=-1) USER MOD Set 3.1: A 56 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.76) USER MOD Set 3.2: A 59 GLN : amide:sc= 0 X(o=-0.41,f=-0.87) USER MOD Set 4.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 49 SER OG : rot 112:sc= 0.151 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -34:sc= 0.042 USER MOD Single : A 60 SER OG : rot -29:sc= 0.0546 USER MOD Single : A 61 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 78 MET CE :methyl -166:sc= -0.0487 (180deg=-0.347) USER MOD Single : A 80 THR OG1 : rot -110:sc= -0.574 USER MOD Single : A 81 ASN : amide:sc= -0.0633 K(o=-0.063,f=-1.9!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.42 X(o=0.42,f=-0.0091) 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 180:sc= -0.2 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 19.828 73.771 -13.186 1.00 65.21 N ATOM 660 CA GLU A 46 20.374 74.542 -12.061 1.00 41.54 C ATOM 661 C GLU A 46 21.825 74.976 -12.289 1.00 5.12 C ATOM 662 O GLU A 46 22.158 76.153 -12.138 1.00 43.23 O ATOM 663 CB GLU A 46 20.265 73.768 -10.745 1.00 55.55 C ATOM 664 CG GLU A 46 18.848 73.652 -10.215 1.00 14.53 C ATOM 665 CD GLU A 46 18.802 73.032 -8.836 1.00 0.14 C ATOM 666 OE1 GLU A 46 19.351 73.639 -7.889 1.00 65.32 O ATOM 667 OE2 GLU A 46 18.216 71.941 -8.686 1.00 5.55 O1- ATOM 0 HA GLU A 46 19.765 75.444 -11.995 1.00 41.54 H new ATOM 0 HB2 GLU A 46 20.672 72.767 -10.889 1.00 55.55 H new ATOM 0 HB3 GLU A 46 20.884 74.259 -9.994 1.00 55.55 H new ATOM 0 HG2 GLU A 46 18.392 74.642 -10.182 1.00 14.53 H new ATOM 0 HG3 GLU A 46 18.253 73.050 -10.902 1.00 14.53 H new ATOM 674 N THR A 47 22.680 74.028 -12.630 1.00 53.34 N ATOM 675 CA THR A 47 24.096 74.295 -12.822 1.00 11.21 C ATOM 676 C THR A 47 24.624 73.586 -14.077 1.00 2.33 C ATOM 677 O THR A 47 25.056 72.432 -14.031 1.00 31.14 O ATOM 678 CB THR A 47 24.927 73.903 -11.569 1.00 14.13 C ATOM 679 OG1 THR A 47 26.329 74.073 -11.826 1.00 60.32 O ATOM 680 CG2 THR A 47 24.645 72.472 -11.125 1.00 31.14 C ATOM 0 H THR A 47 22.415 73.055 -12.781 1.00 53.34 H new ATOM 0 HA THR A 47 24.210 75.369 -12.967 1.00 11.21 H new ATOM 0 HB THR A 47 24.627 74.566 -10.758 1.00 14.13 H new ATOM 0 HG1 THR A 47 26.840 73.824 -11.028 1.00 60.32 H new ATOM 0 HG21 THR A 47 25.246 72.239 -10.246 1.00 31.14 H new ATOM 0 HG22 THR A 47 23.588 72.369 -10.879 1.00 31.14 H new ATOM 0 HG23 THR A 47 24.899 71.784 -11.932 1.00 31.14 H new ATOM 688 N PRO A 48 24.532 74.248 -15.242 1.00 63.35 N ATOM 689 CA PRO A 48 25.017 73.689 -16.499 1.00 21.13 C ATOM 690 C PRO A 48 26.538 73.667 -16.540 1.00 23.22 C ATOM 691 O PRO A 48 27.175 74.595 -17.043 1.00 30.10 O ATOM 692 CB PRO A 48 24.453 74.623 -17.585 1.00 72.10 C ATOM 693 CG PRO A 48 23.557 75.590 -16.873 1.00 2.42 C ATOM 694 CD PRO A 48 23.976 75.591 -15.426 1.00 3.12 C ATOM 0 HA PRO A 48 24.698 72.656 -16.636 1.00 21.13 H new ATOM 0 HB2 PRO A 48 25.256 75.145 -18.106 1.00 72.10 H new ATOM 0 HB3 PRO A 48 23.900 74.059 -18.336 1.00 72.10 H new ATOM 0 HG2 PRO A 48 23.648 76.588 -17.302 1.00 2.42 H new ATOM 0 HG3 PRO A 48 22.513 75.294 -16.972 1.00 2.42 H new ATOM 0 HD2 PRO A 48 24.715 76.365 -15.221 1.00 3.12 H new ATOM 0 HD3 PRO A 48 23.131 75.772 -14.761 1.00 3.12 H new ATOM 702 N SER A 49 27.111 72.622 -15.968 1.00 1.52 N ATOM 703 CA SER A 49 28.554 72.468 -15.918 1.00 71.45 C ATOM 704 C SER A 49 28.973 71.106 -16.467 1.00 5.40 C ATOM 705 O SER A 49 29.494 71.008 -17.580 1.00 55.33 O ATOM 706 CB SER A 49 29.037 72.641 -14.475 1.00 4.01 C ATOM 707 OG SER A 49 28.242 71.871 -13.584 1.00 52.25 O ATOM 0 H SER A 49 26.593 71.861 -15.528 1.00 1.52 H new ATOM 0 HA SER A 49 29.014 73.234 -16.542 1.00 71.45 H new ATOM 0 HB2 SER A 49 30.080 72.335 -14.396 1.00 4.01 H new ATOM 0 HB3 SER A 49 28.991 73.693 -14.194 1.00 4.01 H new ATOM 0 HG SER A 49 28.781 71.142 -13.212 1.00 52.25 H new ATOM 713 N ALA A 50 28.708 70.058 -15.696 1.00 4.34 N ATOM 714 CA ALA A 50 29.101 68.702 -16.070 1.00 71.23 C ATOM 715 C ALA A 50 28.324 68.198 -17.277 1.00 52.43 C ATOM 716 O ALA A 50 28.699 67.205 -17.899 1.00 63.35 O ATOM 717 CB ALA A 50 28.909 67.759 -14.894 1.00 52.42 C ATOM 0 H ALA A 50 28.220 70.121 -14.803 1.00 4.34 H new ATOM 0 HA ALA A 50 30.155 68.729 -16.345 1.00 71.23 H new ATOM 0 HB1 ALA A 50 29.205 66.751 -15.184 1.00 52.42 H new ATOM 0 HB2 ALA A 50 29.524 68.091 -14.057 1.00 52.42 H new ATOM 0 HB3 ALA A 50 27.861 67.758 -14.596 1.00 52.42 H new ATOM 723 N LEU A 51 27.243 68.884 -17.611 1.00 14.24 N ATOM 724 CA LEU A 51 26.419 68.496 -18.747 1.00 65.24 C ATOM 725 C LEU A 51 26.437 69.565 -19.838 1.00 54.11 C ATOM 726 O LEU A 51 25.797 69.407 -20.876 1.00 73.42 O ATOM 727 CB LEU A 51 24.982 68.206 -18.282 1.00 34.13 C ATOM 728 CG LEU A 51 24.343 69.258 -17.361 1.00 14.14 C ATOM 729 CD1 LEU A 51 23.906 70.491 -18.142 1.00 42.24 C ATOM 730 CD2 LEU A 51 23.163 68.657 -16.615 1.00 32.32 C ATOM 0 H LEU A 51 26.915 69.712 -17.113 1.00 14.24 H new ATOM 0 HA LEU A 51 26.836 67.586 -19.178 1.00 65.24 H new ATOM 0 HB2 LEU A 51 24.352 68.095 -19.164 1.00 34.13 H new ATOM 0 HB3 LEU A 51 24.976 67.247 -17.763 1.00 34.13 H new ATOM 0 HG LEU A 51 25.096 69.573 -16.639 1.00 14.14 H new ATOM 0 HD11 LEU A 51 23.459 71.214 -17.460 1.00 42.24 H new ATOM 0 HD12 LEU A 51 24.772 70.939 -18.629 1.00 42.24 H new ATOM 0 HD13 LEU A 51 23.174 70.203 -18.897 1.00 42.24 H new ATOM 0 HD21 LEU A 51 22.720 69.412 -15.966 1.00 32.32 H new ATOM 0 HD22 LEU A 51 22.418 68.311 -17.331 1.00 32.32 H new ATOM 0 HD23 LEU A 51 23.504 67.816 -16.012 1.00 32.32 H new ATOM 742 N ASP A 52 27.201 70.631 -19.611 1.00 2.23 N ATOM 743 CA ASP A 52 27.211 71.783 -20.517 1.00 12.25 C ATOM 744 C ASP A 52 27.834 71.427 -21.863 1.00 34.31 C ATOM 745 O ASP A 52 27.383 71.894 -22.906 1.00 33.15 O ATOM 746 CB ASP A 52 27.964 72.960 -19.883 1.00 5.20 C ATOM 747 CG ASP A 52 28.016 74.183 -20.785 1.00 62.52 C ATOM 748 OD1 ASP A 52 26.950 74.636 -21.249 1.00 12.41 O ATOM 749 OD2 ASP A 52 29.126 74.713 -21.014 1.00 63.02 O1- ATOM 0 H ASP A 52 27.823 70.723 -18.808 1.00 2.23 H new ATOM 0 HA ASP A 52 26.175 72.076 -20.690 1.00 12.25 H new ATOM 0 HB2 ASP A 52 27.483 73.228 -18.943 1.00 5.20 H new ATOM 0 HB3 ASP A 52 28.980 72.648 -19.643 1.00 5.20 H new ATOM 754 N ASN A 53 28.859 70.590 -21.842 1.00 61.25 N ATOM 755 CA ASN A 53 29.539 70.190 -23.068 1.00 42.12 C ATOM 756 C ASN A 53 28.820 69.023 -23.733 1.00 63.01 C ATOM 757 O ASN A 53 28.705 68.969 -24.959 1.00 23.25 O ATOM 758 CB ASN A 53 30.996 69.813 -22.784 1.00 44.53 C ATOM 759 CG ASN A 53 31.875 71.021 -22.524 1.00 73.01 C ATOM 760 OD1 ASN A 53 32.012 71.480 -21.389 1.00 72.42 O ATOM 761 ND2 ASN A 53 32.488 71.539 -23.577 1.00 31.23 N ATOM 0 H ASN A 53 29.239 70.174 -20.992 1.00 61.25 H new ATOM 0 HA ASN A 53 29.524 71.041 -23.749 1.00 42.12 H new ATOM 0 HB2 ASN A 53 31.033 69.150 -21.920 1.00 44.53 H new ATOM 0 HB3 ASN A 53 31.394 69.255 -23.632 1.00 44.53 H new ATOM 0 HD21 ASN A 53 33.100 72.347 -23.464 1.00 31.23 H new ATOM 0 HD22 ASN A 53 32.349 71.130 -24.501 1.00 31.23 H new ATOM 768 N PHE A 54 28.324 68.105 -22.913 1.00 22.14 N ATOM 769 CA PHE A 54 27.651 66.910 -23.403 1.00 43.23 C ATOM 770 C PHE A 54 26.407 67.264 -24.216 1.00 0.30 C ATOM 771 O PHE A 54 26.307 66.916 -25.393 1.00 51.31 O ATOM 772 CB PHE A 54 27.282 65.998 -22.227 1.00 64.13 C ATOM 773 CG PHE A 54 26.634 64.709 -22.639 1.00 32.43 C ATOM 774 CD1 PHE A 54 27.333 63.778 -23.391 1.00 20.25 C ATOM 775 CD2 PHE A 54 25.329 64.426 -22.271 1.00 52.44 C ATOM 776 CE1 PHE A 54 26.741 62.589 -23.770 1.00 74.25 C ATOM 777 CE2 PHE A 54 24.732 63.239 -22.647 1.00 41.13 C ATOM 778 CZ PHE A 54 25.439 62.319 -23.398 1.00 1.54 C ATOM 0 H PHE A 54 28.376 68.167 -21.896 1.00 22.14 H new ATOM 0 HA PHE A 54 28.337 66.381 -24.064 1.00 43.23 H new ATOM 0 HB2 PHE A 54 28.183 65.774 -21.656 1.00 64.13 H new ATOM 0 HB3 PHE A 54 26.608 66.536 -21.560 1.00 64.13 H new ATOM 0 HD1 PHE A 54 28.352 63.984 -23.684 1.00 20.25 H new ATOM 0 HD2 PHE A 54 24.772 65.141 -21.684 1.00 52.44 H new ATOM 0 HE1 PHE A 54 27.296 61.872 -24.356 1.00 74.25 H new ATOM 0 HE2 PHE A 54 23.714 63.030 -22.355 1.00 41.13 H new ATOM 0 HZ PHE A 54 24.974 61.390 -23.693 1.00 1.54 H new ATOM 788 N THR A 55 25.474 67.983 -23.604 1.00 75.41 N ATOM 789 CA THR A 55 24.212 68.302 -24.261 1.00 62.12 C ATOM 790 C THR A 55 24.425 69.301 -25.399 1.00 21.25 C ATOM 791 O THR A 55 23.581 69.448 -26.286 1.00 1.24 O ATOM 792 CB THR A 55 23.177 68.858 -23.254 1.00 4.21 C ATOM 793 OG1 THR A 55 21.873 68.855 -23.842 1.00 21.43 O ATOM 794 CG2 THR A 55 23.533 70.276 -22.819 1.00 4.31 C ATOM 0 H THR A 55 25.566 68.355 -22.659 1.00 75.41 H new ATOM 0 HA THR A 55 23.820 67.375 -24.678 1.00 62.12 H new ATOM 0 HB THR A 55 23.188 68.214 -22.374 1.00 4.21 H new ATOM 0 HG1 THR A 55 21.947 69.039 -24.802 1.00 21.43 H new ATOM 0 HG21 THR A 55 22.787 70.638 -22.112 1.00 4.31 H new ATOM 0 HG22 THR A 55 24.514 70.275 -22.343 1.00 4.31 H new ATOM 0 HG23 THR A 55 23.554 70.930 -23.691 1.00 4.31 H new ATOM 802 N GLN A 56 25.577 69.957 -25.385 1.00 32.54 N ATOM 803 CA GLN A 56 25.901 70.960 -26.387 1.00 40.22 C ATOM 804 C GLN A 56 26.259 70.278 -27.701 1.00 42.31 C ATOM 805 O GLN A 56 26.035 70.817 -28.785 1.00 33.50 O ATOM 806 CB GLN A 56 27.066 71.818 -25.904 1.00 24.31 C ATOM 807 CG GLN A 56 26.938 73.293 -26.240 1.00 3.12 C ATOM 808 CD GLN A 56 25.660 73.908 -25.702 1.00 23.51 C ATOM 809 OE1 GLN A 56 24.651 73.983 -26.402 1.00 22.43 O ATOM 810 NE2 GLN A 56 25.686 74.322 -24.444 1.00 51.20 N ATOM 0 H GLN A 56 26.306 69.811 -24.686 1.00 32.54 H new ATOM 0 HA GLN A 56 25.035 71.602 -26.547 1.00 40.22 H new ATOM 0 HB2 GLN A 56 27.157 71.710 -24.823 1.00 24.31 H new ATOM 0 HB3 GLN A 56 27.989 71.437 -26.342 1.00 24.31 H new ATOM 0 HG2 GLN A 56 27.794 73.830 -25.832 1.00 3.12 H new ATOM 0 HG3 GLN A 56 26.969 73.419 -27.322 1.00 3.12 H new ATOM 0 HE21 GLN A 56 26.544 74.242 -23.898 1.00 51.20 H new ATOM 0 HE22 GLN A 56 24.848 74.721 -24.021 1.00 51.20 H new ATOM 819 N ALA A 57 26.808 69.079 -27.591 1.00 43.12 N ATOM 820 CA ALA A 57 27.140 68.283 -28.757 1.00 74.22 C ATOM 821 C ALA A 57 25.885 67.620 -29.307 1.00 13.44 C ATOM 822 O ALA A 57 25.713 67.491 -30.520 1.00 44.41 O ATOM 823 CB ALA A 57 28.185 67.241 -28.402 1.00 32.32 C ATOM 0 H ALA A 57 27.033 68.636 -26.700 1.00 43.12 H new ATOM 0 HA ALA A 57 27.555 68.935 -29.526 1.00 74.22 H new ATOM 0 HB1 ALA A 57 28.425 66.650 -29.286 1.00 32.32 H new ATOM 0 HB2 ALA A 57 29.086 67.737 -28.042 1.00 32.32 H new ATOM 0 HB3 ALA A 57 27.795 66.586 -27.623 1.00 32.32 H new ATOM 829 N ILE A 58 24.996 67.228 -28.399 1.00 52.41 N ATOM 830 CA ILE A 58 23.763 66.547 -28.775 1.00 43.42 C ATOM 831 C ILE A 58 22.888 67.440 -29.644 1.00 42.32 C ATOM 832 O ILE A 58 22.294 66.982 -30.614 1.00 2.22 O ATOM 833 CB ILE A 58 22.954 66.110 -27.538 1.00 4.31 C ATOM 834 CG1 ILE A 58 23.845 65.313 -26.585 1.00 33.32 C ATOM 835 CG2 ILE A 58 21.740 65.287 -27.958 1.00 22.11 C ATOM 836 CD1 ILE A 58 23.100 64.700 -25.421 1.00 75.03 C ATOM 0 H ILE A 58 25.108 67.371 -27.395 1.00 52.41 H new ATOM 0 HA ILE A 58 24.055 65.661 -29.339 1.00 43.42 H new ATOM 0 HB ILE A 58 22.597 66.999 -27.018 1.00 4.31 H new ATOM 0 HG12 ILE A 58 24.341 64.520 -27.144 1.00 33.32 H new ATOM 0 HG13 ILE A 58 24.626 65.968 -26.200 1.00 33.32 H new ATOM 0 HG21 ILE A 58 21.180 64.987 -27.072 1.00 22.11 H new ATOM 0 HG22 ILE A 58 21.100 65.887 -28.606 1.00 22.11 H new ATOM 0 HG23 ILE A 58 22.071 64.399 -28.496 1.00 22.11 H new ATOM 0 HD11 ILE A 58 23.799 64.151 -24.790 1.00 75.03 H new ATOM 0 HD12 ILE A 58 22.626 65.489 -24.836 1.00 75.03 H new ATOM 0 HD13 ILE A 58 22.337 64.018 -25.796 1.00 75.03 H new ATOM 848 N GLN A 59 22.829 68.721 -29.303 1.00 20.32 N ATOM 849 CA GLN A 59 22.045 69.681 -30.071 1.00 43.14 C ATOM 850 C GLN A 59 22.436 69.666 -31.548 1.00 30.01 C ATOM 851 O GLN A 59 21.593 69.849 -32.422 1.00 22.32 O ATOM 852 CB GLN A 59 22.218 71.089 -29.503 1.00 0.24 C ATOM 853 CG GLN A 59 21.529 71.300 -28.164 1.00 33.03 C ATOM 854 CD GLN A 59 21.822 72.667 -27.576 1.00 32.54 C ATOM 855 OE1 GLN A 59 22.071 73.627 -28.304 1.00 24.13 O ATOM 856 NE2 GLN A 59 21.780 72.770 -26.258 1.00 51.23 N ATOM 0 H GLN A 59 23.315 69.120 -28.500 1.00 20.32 H new ATOM 0 HA GLN A 59 20.998 69.389 -29.992 1.00 43.14 H new ATOM 0 HB2 GLN A 59 23.282 71.297 -29.390 1.00 0.24 H new ATOM 0 HB3 GLN A 59 21.827 71.811 -30.220 1.00 0.24 H new ATOM 0 HG2 GLN A 59 20.452 71.184 -28.289 1.00 33.03 H new ATOM 0 HG3 GLN A 59 21.854 70.529 -27.465 1.00 33.03 H new ATOM 0 HE21 GLN A 59 21.570 71.950 -25.689 1.00 51.23 H new ATOM 0 HE22 GLN A 59 21.958 73.669 -25.811 1.00 51.23 H new ATOM 865 N SER A 60 23.706 69.404 -31.821 1.00 51.04 N ATOM 866 CA SER A 60 24.209 69.433 -33.184 1.00 11.41 C ATOM 867 C SER A 60 23.900 68.131 -33.926 1.00 54.31 C ATOM 868 O SER A 60 23.941 68.090 -35.156 1.00 71.15 O ATOM 869 CB SER A 60 25.716 69.687 -33.170 1.00 73.34 C ATOM 870 OG SER A 60 26.218 69.893 -34.479 1.00 3.51 O ATOM 0 H SER A 60 24.405 69.169 -31.117 1.00 51.04 H new ATOM 0 HA SER A 60 23.706 70.242 -33.714 1.00 11.41 H new ATOM 0 HB2 SER A 60 25.934 70.559 -32.554 1.00 73.34 H new ATOM 0 HB3 SER A 60 26.225 68.839 -32.713 1.00 73.34 H new ATOM 0 HG SER A 60 25.661 69.408 -35.123 1.00 3.51 H new ATOM 876 N GLN A 61 23.594 67.068 -33.188 1.00 30.10 N ATOM 877 CA GLN A 61 23.316 65.777 -33.811 1.00 24.42 C ATOM 878 C GLN A 61 21.813 65.571 -33.977 1.00 14.32 C ATOM 879 O GLN A 61 21.374 64.736 -34.766 1.00 1.12 O ATOM 880 CB GLN A 61 23.930 64.627 -33.000 1.00 64.21 C ATOM 881 CG GLN A 61 23.255 64.359 -31.664 1.00 32.32 C ATOM 882 CD GLN A 61 23.923 63.243 -30.876 1.00 64.01 C ATOM 883 OE1 GLN A 61 23.266 62.524 -30.119 1.00 52.54 O ATOM 884 NE2 GLN A 61 25.231 63.098 -31.035 1.00 61.52 N ATOM 0 H GLN A 61 23.532 67.073 -32.170 1.00 30.10 H new ATOM 0 HA GLN A 61 23.777 65.777 -34.799 1.00 24.42 H new ATOM 0 HB2 GLN A 61 23.892 63.717 -33.599 1.00 64.21 H new ATOM 0 HB3 GLN A 61 24.982 64.848 -32.822 1.00 64.21 H new ATOM 0 HG2 GLN A 61 23.263 65.272 -31.069 1.00 32.32 H new ATOM 0 HG3 GLN A 61 22.210 64.100 -31.836 1.00 32.32 H new ATOM 0 HE21 GLN A 61 25.739 63.713 -31.671 1.00 61.52 H new ATOM 0 HE22 GLN A 61 25.730 62.371 -30.522 1.00 61.52 H new ATOM 893 N ILE A 62 21.027 66.361 -33.248 1.00 25.21 N ATOM 894 CA ILE A 62 19.574 66.273 -33.324 1.00 60.23 C ATOM 895 C ILE A 62 19.092 66.678 -34.711 1.00 4.22 C ATOM 896 O ILE A 62 18.222 66.032 -35.291 1.00 73.53 O ATOM 897 CB ILE A 62 18.891 67.167 -32.260 1.00 31.41 C ATOM 898 CG1 ILE A 62 19.251 66.688 -30.851 1.00 75.12 C ATOM 899 CG2 ILE A 62 17.379 67.175 -32.451 1.00 11.33 C ATOM 900 CD1 ILE A 62 18.704 67.567 -29.747 1.00 54.33 C ATOM 0 H ILE A 62 21.373 67.068 -32.599 1.00 25.21 H new ATOM 0 HA ILE A 62 19.300 65.237 -33.127 1.00 60.23 H new ATOM 0 HB ILE A 62 19.255 68.187 -32.384 1.00 31.41 H new ATOM 0 HG12 ILE A 62 18.875 65.674 -30.715 1.00 75.12 H new ATOM 0 HG13 ILE A 62 20.336 66.640 -30.760 1.00 75.12 H new ATOM 0 HG21 ILE A 62 16.920 67.809 -31.693 1.00 11.33 H new ATOM 0 HG22 ILE A 62 17.139 67.562 -33.441 1.00 11.33 H new ATOM 0 HG23 ILE A 62 16.995 66.159 -32.356 1.00 11.33 H new ATOM 0 HD11 ILE A 62 19.001 67.163 -28.779 1.00 54.33 H new ATOM 0 HD12 ILE A 62 19.100 68.577 -29.856 1.00 54.33 H new ATOM 0 HD13 ILE A 62 17.616 67.596 -29.810 1.00 54.33 H new ATOM 912 N LEU A 63 19.695 67.735 -35.245 1.00 64.35 N ATOM 913 CA LEU A 63 19.339 68.244 -36.565 1.00 53.53 C ATOM 914 C LEU A 63 19.596 67.195 -37.642 1.00 34.31 C ATOM 915 O LEU A 63 18.892 67.138 -38.648 1.00 74.53 O ATOM 916 CB LEU A 63 20.120 69.525 -36.880 1.00 24.15 C ATOM 917 CG LEU A 63 19.545 70.824 -36.297 1.00 14.34 C ATOM 918 CD1 LEU A 63 19.545 70.798 -34.776 1.00 52.54 C ATOM 919 CD2 LEU A 63 20.338 72.019 -36.803 1.00 61.01 C ATOM 0 H LEU A 63 20.437 68.259 -34.781 1.00 64.35 H new ATOM 0 HA LEU A 63 18.274 68.476 -36.557 1.00 53.53 H new ATOM 0 HB2 LEU A 63 21.139 69.405 -36.513 1.00 24.15 H new ATOM 0 HB3 LEU A 63 20.182 69.632 -37.963 1.00 24.15 H new ATOM 0 HG LEU A 63 18.511 70.913 -36.629 1.00 14.34 H new ATOM 0 HD11 LEU A 63 19.132 71.732 -34.396 1.00 52.54 H new ATOM 0 HD12 LEU A 63 18.937 69.964 -34.426 1.00 52.54 H new ATOM 0 HD13 LEU A 63 20.566 70.679 -34.414 1.00 52.54 H new ATOM 0 HD21 LEU A 63 19.922 72.935 -36.384 1.00 61.01 H new ATOM 0 HD22 LEU A 63 21.380 71.920 -36.498 1.00 61.01 H new ATOM 0 HD23 LEU A 63 20.281 72.059 -37.891 1.00 61.01 H new ATOM 931 N GLY A 64 20.599 66.356 -37.416 1.00 54.14 N ATOM 932 CA GLY A 64 20.905 65.299 -38.359 1.00 43.53 C ATOM 933 C GLY A 64 19.878 64.185 -38.310 1.00 42.50 C ATOM 934 O GLY A 64 19.446 63.680 -39.348 1.00 45.41 O ATOM 0 H GLY A 64 21.206 66.389 -36.597 1.00 54.14 H new ATOM 0 HA2 GLY A 64 20.945 65.712 -39.367 1.00 43.53 H new ATOM 0 HA3 GLY A 64 21.893 64.893 -38.141 1.00 43.53 H new ATOM 938 N GLY A 65 19.470 63.823 -37.096 1.00 25.24 N ATOM 939 CA GLY A 65 18.495 62.763 -36.913 1.00 5.50 C ATOM 940 C GLY A 65 17.099 63.167 -37.346 1.00 33.53 C ATOM 941 O GLY A 65 16.250 62.309 -37.594 1.00 11.34 O ATOM 0 H GLY A 65 19.801 64.249 -36.230 1.00 25.24 H new ATOM 0 HA2 GLY A 65 18.807 61.887 -37.481 1.00 5.50 H new ATOM 0 HA3 GLY A 65 18.475 62.472 -35.863 1.00 5.50 H new ATOM 945 N LEU A 66 16.859 64.474 -37.438 1.00 53.33 N ATOM 946 CA LEU A 66 15.565 64.991 -37.879 1.00 72.23 C ATOM 947 C LEU A 66 15.206 64.456 -39.261 1.00 34.12 C ATOM 948 O LEU A 66 14.042 64.188 -39.551 1.00 33.03 O ATOM 949 CB LEU A 66 15.566 66.522 -37.901 1.00 31.31 C ATOM 950 CG LEU A 66 15.680 67.197 -36.531 1.00 64.21 C ATOM 951 CD1 LEU A 66 15.703 68.711 -36.687 1.00 22.03 C ATOM 952 CD2 LEU A 66 14.526 66.775 -35.628 1.00 65.03 C ATOM 0 H LEU A 66 17.545 65.195 -37.213 1.00 53.33 H new ATOM 0 HA LEU A 66 14.815 64.650 -37.165 1.00 72.23 H new ATOM 0 HB2 LEU A 66 16.395 66.859 -38.524 1.00 31.31 H new ATOM 0 HB3 LEU A 66 14.648 66.863 -38.380 1.00 31.31 H new ATOM 0 HG LEU A 66 16.614 66.880 -36.068 1.00 64.21 H new ATOM 0 HD11 LEU A 66 15.784 69.177 -35.705 1.00 22.03 H new ATOM 0 HD12 LEU A 66 16.558 69.001 -37.298 1.00 22.03 H new ATOM 0 HD13 LEU A 66 14.783 69.041 -37.170 1.00 22.03 H new ATOM 0 HD21 LEU A 66 14.624 67.265 -34.659 1.00 65.03 H new ATOM 0 HD22 LEU A 66 13.580 67.064 -36.087 1.00 65.03 H new ATOM 0 HD23 LEU A 66 14.547 65.694 -35.492 1.00 65.03 H new ATOM 964 N LEU A 67 16.216 64.274 -40.098 1.00 53.21 N ATOM 965 CA LEU A 67 16.005 63.779 -41.452 1.00 64.45 C ATOM 966 C LEU A 67 15.485 62.343 -41.431 1.00 60.43 C ATOM 967 O LEU A 67 14.640 61.971 -42.242 1.00 44.24 O ATOM 968 CB LEU A 67 17.297 63.873 -42.264 1.00 51.43 C ATOM 969 CG LEU A 67 17.819 65.298 -42.477 1.00 3.00 C ATOM 970 CD1 LEU A 67 19.127 65.277 -43.245 1.00 70.32 C ATOM 971 CD2 LEU A 67 16.788 66.142 -43.212 1.00 22.21 C ATOM 0 H LEU A 67 17.191 64.461 -39.864 1.00 53.21 H new ATOM 0 HA LEU A 67 15.251 64.405 -41.930 1.00 64.45 H new ATOM 0 HB2 LEU A 67 18.069 63.290 -41.762 1.00 51.43 H new ATOM 0 HB3 LEU A 67 17.132 63.412 -43.238 1.00 51.43 H new ATOM 0 HG LEU A 67 17.998 65.745 -41.499 1.00 3.00 H new ATOM 0 HD11 LEU A 67 19.482 66.298 -43.387 1.00 70.32 H new ATOM 0 HD12 LEU A 67 19.869 64.709 -42.684 1.00 70.32 H new ATOM 0 HD13 LEU A 67 18.971 64.809 -44.217 1.00 70.32 H new ATOM 0 HD21 LEU A 67 17.177 67.150 -43.354 1.00 22.21 H new ATOM 0 HD22 LEU A 67 16.577 65.695 -44.183 1.00 22.21 H new ATOM 0 HD23 LEU A 67 15.870 66.187 -42.626 1.00 22.21 H new ATOM 983 N SER A 68 15.970 61.547 -40.484 1.00 40.32 N ATOM 984 CA SER A 68 15.501 60.177 -40.331 1.00 11.31 C ATOM 985 C SER A 68 14.080 60.164 -39.772 1.00 75.02 C ATOM 986 O SER A 68 13.302 59.243 -40.034 1.00 75.11 O ATOM 987 CB SER A 68 16.445 59.390 -39.419 1.00 0.14 C ATOM 988 OG SER A 68 17.761 59.375 -39.949 1.00 4.11 O ATOM 0 H SER A 68 16.686 61.827 -39.813 1.00 40.32 H new ATOM 0 HA SER A 68 15.491 59.699 -41.311 1.00 11.31 H new ATOM 0 HB2 SER A 68 16.454 59.837 -38.425 1.00 0.14 H new ATOM 0 HB3 SER A 68 16.082 58.369 -39.307 1.00 0.14 H new ATOM 0 HG SER A 68 18.349 58.869 -39.350 1.00 4.11 H new ATOM 994 N ASN A 69 13.737 61.204 -39.019 1.00 22.22 N ATOM 995 CA ASN A 69 12.388 61.345 -38.488 1.00 3.21 C ATOM 996 C ASN A 69 11.424 61.724 -39.610 1.00 33.23 C ATOM 997 O ASN A 69 10.241 61.387 -39.573 1.00 41.32 O ATOM 998 CB ASN A 69 12.360 62.405 -37.386 1.00 53.44 C ATOM 999 CG ASN A 69 10.986 62.569 -36.764 1.00 25.14 C ATOM 1000 OD1 ASN A 69 10.161 63.348 -37.240 1.00 41.35 O ATOM 1001 ND2 ASN A 69 10.739 61.842 -35.685 1.00 2.13 N ATOM 0 H ASN A 69 14.373 61.959 -38.764 1.00 22.22 H new ATOM 0 HA ASN A 69 12.076 60.392 -38.061 1.00 3.21 H new ATOM 0 HB2 ASN A 69 13.076 62.134 -36.610 1.00 53.44 H new ATOM 0 HB3 ASN A 69 12.684 63.361 -37.799 1.00 53.44 H new ATOM 0 HD21 ASN A 69 9.836 61.916 -35.216 1.00 2.13 H new ATOM 0 HD22 ASN A 69 11.451 61.208 -35.323 1.00 2.13 H new ATOM 1008 N ILE A 70 11.956 62.386 -40.634 1.00 71.41 N ATOM 1009 CA ILE A 70 11.180 62.732 -41.821 1.00 54.25 C ATOM 1010 C ILE A 70 10.891 61.470 -42.631 1.00 15.54 C ATOM 1011 O ILE A 70 9.916 61.400 -43.381 1.00 23.53 O ATOM 1012 CB ILE A 70 11.924 63.768 -42.702 1.00 3.10 C ATOM 1013 CG1 ILE A 70 12.186 65.055 -41.910 1.00 23.53 C ATOM 1014 CG2 ILE A 70 11.135 64.081 -43.965 1.00 12.32 C ATOM 1015 CD1 ILE A 70 10.926 65.738 -41.417 1.00 42.43 C ATOM 0 H ILE A 70 12.928 62.695 -40.665 1.00 71.41 H new ATOM 0 HA ILE A 70 10.242 63.182 -41.495 1.00 54.25 H new ATOM 0 HB ILE A 70 12.879 63.333 -42.996 1.00 3.10 H new ATOM 0 HG12 ILE A 70 12.820 64.821 -41.054 1.00 23.53 H new ATOM 0 HG13 ILE A 70 12.743 65.750 -42.538 1.00 23.53 H new ATOM 0 HG21 ILE A 70 11.681 64.810 -44.564 1.00 12.32 H new ATOM 0 HG22 ILE A 70 10.997 63.168 -44.543 1.00 12.32 H new ATOM 0 HG23 ILE A 70 10.162 64.490 -43.694 1.00 12.32 H new ATOM 0 HD11 ILE A 70 11.193 66.640 -40.866 1.00 42.43 H new ATOM 0 HD12 ILE A 70 10.300 66.005 -42.268 1.00 42.43 H new ATOM 0 HD13 ILE A 70 10.378 65.061 -40.761 1.00 42.43 H new ATOM 1129 N MET A 78 18.826 45.856 -39.649 1.00 12.00 N ATOM 1130 CA MET A 78 18.392 44.544 -39.199 1.00 2.03 C ATOM 1131 C MET A 78 19.397 43.965 -38.210 1.00 70.13 C ATOM 1132 O MET A 78 20.602 43.974 -38.466 1.00 44.34 O ATOM 1133 CB MET A 78 18.245 43.599 -40.396 1.00 63.14 C ATOM 1134 CG MET A 78 17.887 42.167 -40.015 1.00 52.15 C ATOM 1135 SD MET A 78 17.925 41.036 -41.422 1.00 73.31 S ATOM 1136 CE MET A 78 16.652 41.742 -42.465 1.00 35.54 C ATOM 0 HA MET A 78 17.427 44.649 -38.704 1.00 2.03 H new ATOM 0 HB2 MET A 78 17.476 43.990 -41.062 1.00 63.14 H new ATOM 0 HB3 MET A 78 19.179 43.592 -40.957 1.00 63.14 H new ATOM 0 HG2 MET A 78 18.582 41.814 -39.253 1.00 52.15 H new ATOM 0 HG3 MET A 78 16.892 42.153 -39.570 1.00 52.15 H new ATOM 0 HE1 MET A 78 16.383 41.029 -43.244 1.00 35.54 H new ATOM 0 HE2 MET A 78 15.773 41.970 -41.862 1.00 35.54 H new ATOM 0 HE3 MET A 78 17.024 42.658 -42.924 1.00 35.54 H new ATOM 1146 N VAL A 79 18.902 43.470 -37.084 1.00 63.22 N ATOM 1147 CA VAL A 79 19.756 42.826 -36.097 1.00 53.31 C ATOM 1148 C VAL A 79 20.205 41.465 -36.622 1.00 34.33 C ATOM 1149 O VAL A 79 19.378 40.641 -37.009 1.00 23.05 O ATOM 1150 CB VAL A 79 19.028 42.648 -34.746 1.00 51.15 C ATOM 1151 CG1 VAL A 79 19.949 42.022 -33.712 1.00 62.34 C ATOM 1152 CG2 VAL A 79 18.487 43.983 -34.252 1.00 20.14 C ATOM 0 H VAL A 79 17.914 43.502 -36.832 1.00 63.22 H new ATOM 0 HA VAL A 79 20.622 43.466 -35.930 1.00 53.31 H new ATOM 0 HB VAL A 79 18.186 41.972 -34.898 1.00 51.15 H new ATOM 0 HG11 VAL A 79 19.413 41.907 -32.770 1.00 62.34 H new ATOM 0 HG12 VAL A 79 20.279 41.044 -34.063 1.00 62.34 H new ATOM 0 HG13 VAL A 79 20.816 42.665 -33.560 1.00 62.34 H new ATOM 0 HG21 VAL A 79 17.977 43.839 -33.299 1.00 20.14 H new ATOM 0 HG22 VAL A 79 19.312 44.683 -34.120 1.00 20.14 H new ATOM 0 HG23 VAL A 79 17.784 44.384 -34.983 1.00 20.14 H new ATOM 1162 N THR A 80 21.509 41.244 -36.660 1.00 24.24 N ATOM 1163 CA THR A 80 22.053 40.015 -37.209 1.00 43.31 C ATOM 1164 C THR A 80 23.006 39.356 -36.209 1.00 22.22 C ATOM 1165 O THR A 80 23.462 39.998 -35.260 1.00 20.53 O ATOM 1166 CB THR A 80 22.789 40.306 -38.530 1.00 4.42 C ATOM 1167 OG1 THR A 80 22.060 41.285 -39.279 1.00 23.43 O ATOM 1168 CG2 THR A 80 22.941 39.047 -39.365 1.00 23.11 C ATOM 0 H THR A 80 22.210 41.901 -36.317 1.00 24.24 H new ATOM 0 HA THR A 80 21.229 39.329 -37.406 1.00 43.31 H new ATOM 0 HB THR A 80 23.784 40.681 -38.289 1.00 4.42 H new ATOM 0 HG1 THR A 80 21.663 40.863 -40.070 1.00 23.43 H new ATOM 0 HG21 THR A 80 23.464 39.285 -40.291 1.00 23.11 H new ATOM 0 HG22 THR A 80 23.512 38.306 -38.806 1.00 23.11 H new ATOM 0 HG23 THR A 80 21.955 38.644 -39.599 1.00 23.11 H new ATOM 1176 N ASN A 81 23.291 38.075 -36.412 1.00 12.13 N ATOM 1177 CA ASN A 81 24.176 37.330 -35.523 1.00 13.33 C ATOM 1178 C ASN A 81 25.630 37.753 -35.708 1.00 53.52 C ATOM 1179 O ASN A 81 26.178 38.502 -34.902 1.00 72.31 O ATOM 1180 CB ASN A 81 24.051 35.820 -35.766 1.00 31.34 C ATOM 1181 CG ASN A 81 22.700 35.250 -35.364 1.00 23.22 C ATOM 1182 OD1 ASN A 81 21.676 35.929 -35.415 1.00 55.05 O ATOM 1183 ND2 ASN A 81 22.691 33.988 -34.961 1.00 51.02 N ATOM 0 H ASN A 81 22.920 37.528 -37.189 1.00 12.13 H new ATOM 0 HA ASN A 81 23.871 37.555 -34.501 1.00 13.33 H new ATOM 0 HB2 ASN A 81 24.223 35.615 -36.823 1.00 31.34 H new ATOM 0 HB3 ASN A 81 24.834 35.305 -35.210 1.00 31.34 H new ATOM 0 HD21 ASN A 81 21.814 33.549 -34.680 1.00 51.02 H new ATOM 0 HD22 ASN A 81 23.561 33.456 -34.932 1.00 51.02 H new ATOM 1190 N ASP A 82 26.242 37.294 -36.797 1.00 32.11 N ATOM 1191 CA ASP A 82 27.668 37.517 -37.035 1.00 24.13 C ATOM 1192 C ASP A 82 27.919 38.819 -37.781 1.00 61.51 C ATOM 1193 O ASP A 82 29.053 39.124 -38.150 1.00 75.51 O ATOM 1194 CB ASP A 82 28.266 36.349 -37.823 1.00 23.52 C ATOM 1195 CG ASP A 82 28.218 35.050 -37.051 1.00 72.21 C ATOM 1196 OD1 ASP A 82 29.212 34.721 -36.368 1.00 63.25 O ATOM 1197 OD2 ASP A 82 27.182 34.357 -37.112 1.00 30.43 O1- ATOM 0 H ASP A 82 25.772 36.764 -37.531 1.00 32.11 H new ATOM 0 HA ASP A 82 28.153 37.586 -36.061 1.00 24.13 H new ATOM 0 HB2 ASP A 82 27.724 36.231 -38.761 1.00 23.52 H new ATOM 0 HB3 ASP A 82 29.300 36.579 -38.079 1.00 23.52 H new ATOM 1202 N TYR A 83 26.869 39.592 -37.987 1.00 2.10 N ATOM 1203 CA TYR A 83 26.985 40.865 -38.684 1.00 61.22 C ATOM 1204 C TYR A 83 26.045 41.893 -38.085 1.00 25.13 C ATOM 1205 O TYR A 83 25.172 41.560 -37.287 1.00 35.42 O ATOM 1206 CB TYR A 83 26.655 40.709 -40.174 1.00 22.35 C ATOM 1207 CG TYR A 83 27.742 40.068 -41.006 1.00 63.34 C ATOM 1208 CD1 TYR A 83 27.751 38.699 -41.247 1.00 54.31 C ATOM 1209 CD2 TYR A 83 28.748 40.841 -41.567 1.00 61.31 C ATOM 1210 CE1 TYR A 83 28.737 38.119 -42.021 1.00 54.50 C ATOM 1211 CE2 TYR A 83 29.738 40.268 -42.339 1.00 43.02 C ATOM 1212 CZ TYR A 83 29.727 38.908 -42.566 1.00 0.23 C ATOM 1213 OH TYR A 83 30.710 38.337 -43.343 1.00 35.22 O ATOM 0 H TYR A 83 25.923 39.362 -37.682 1.00 2.10 H new ATOM 0 HA TYR A 83 28.016 41.201 -38.574 1.00 61.22 H new ATOM 0 HB2 TYR A 83 25.747 40.114 -40.269 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.435 41.694 -40.587 1.00 22.35 H new ATOM 0 HD1 TYR A 83 26.975 38.079 -40.822 1.00 54.31 H new ATOM 0 HD2 TYR A 83 28.757 41.908 -41.397 1.00 61.31 H new ATOM 0 HE1 TYR A 83 28.732 37.054 -42.198 1.00 54.50 H new ATOM 0 HE2 TYR A 83 30.518 40.882 -42.764 1.00 43.02 H new ATOM 0 HH TYR A 83 31.329 39.032 -43.650 1.00 35.22 H new ATOM 1223 N ILE A 84 26.248 43.139 -38.468 1.00 71.04 N ATOM 1224 CA ILE A 84 25.298 44.203 -38.190 1.00 33.43 C ATOM 1225 C ILE A 84 24.863 44.826 -39.506 1.00 24.33 C ATOM 1226 O ILE A 84 25.595 45.622 -40.092 1.00 13.30 O ATOM 1227 CB ILE A 84 25.893 45.302 -37.275 1.00 35.11 C ATOM 1228 CG1 ILE A 84 26.240 44.727 -35.898 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.926 46.473 -37.136 1.00 63.41 C ATOM 1230 CD1 ILE A 84 25.034 44.230 -35.135 1.00 21.15 C ATOM 0 H ILE A 84 27.075 43.444 -38.981 1.00 71.04 H new ATOM 0 HA ILE A 84 24.450 43.766 -37.663 1.00 33.43 H new ATOM 0 HB ILE A 84 26.809 45.669 -37.737 1.00 35.11 H new ATOM 0 HG12 ILE A 84 26.946 43.906 -36.023 1.00 70.51 H new ATOM 0 HG13 ILE A 84 26.743 45.493 -35.309 1.00 70.51 H new ATOM 0 HG21 ILE A 84 25.365 47.233 -36.489 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.731 46.902 -38.119 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.990 46.122 -36.701 1.00 63.41 H new ATOM 0 HD11 ILE A 84 25.351 43.836 -34.169 1.00 21.15 H new ATOM 0 HD12 ILE A 84 24.337 45.053 -34.980 1.00 21.15 H new ATOM 0 HD13 ILE A 84 24.543 43.441 -35.705 1.00 21.15 H new ATOM 1242 N VAL A 85 23.700 44.427 -39.991 1.00 45.21 N ATOM 1243 CA VAL A 85 23.189 44.952 -41.244 1.00 41.00 C ATOM 1244 C VAL A 85 22.451 46.264 -40.997 1.00 52.13 C ATOM 1245 O VAL A 85 21.230 46.291 -40.856 1.00 43.50 O ATOM 1246 CB VAL A 85 22.261 43.944 -41.955 1.00 62.43 C ATOM 1247 CG1 VAL A 85 21.847 44.454 -43.324 1.00 1.04 C ATOM 1248 CG2 VAL A 85 22.940 42.591 -42.077 1.00 64.33 C ATOM 0 H VAL A 85 23.094 43.743 -39.538 1.00 45.21 H new ATOM 0 HA VAL A 85 24.041 45.132 -41.900 1.00 41.00 H new ATOM 0 HB VAL A 85 21.361 43.830 -41.350 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.194 43.724 -43.802 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.316 45.400 -43.215 1.00 1.04 H new ATOM 0 HG13 VAL A 85 22.734 44.605 -43.939 1.00 1.04 H new ATOM 0 HG21 VAL A 85 22.272 41.893 -42.581 1.00 64.33 H new ATOM 0 HG22 VAL A 85 23.858 42.695 -42.655 1.00 64.33 H new ATOM 0 HG23 VAL A 85 23.178 42.213 -41.083 1.00 64.33 H new ATOM 1258 N ASP A 86 23.212 47.345 -40.910 1.00 31.13 N ATOM 1259 CA ASP A 86 22.653 48.658 -40.626 1.00 20.21 C ATOM 1260 C ASP A 86 22.384 49.431 -41.908 1.00 24.31 C ATOM 1261 O ASP A 86 23.291 50.010 -42.499 1.00 74.51 O ATOM 1262 CB ASP A 86 23.598 49.461 -39.731 1.00 4.42 C ATOM 1263 CG ASP A 86 23.080 50.857 -39.455 1.00 33.31 C ATOM 1264 OD1 ASP A 86 22.201 51.005 -38.580 1.00 21.44 O ATOM 1265 OD2 ASP A 86 23.556 51.815 -40.102 1.00 45.22 O1- ATOM 0 H ASP A 86 24.225 47.338 -41.033 1.00 31.13 H new ATOM 0 HA ASP A 86 21.707 48.508 -40.107 1.00 20.21 H new ATOM 0 HB2 ASP A 86 23.736 48.934 -38.787 1.00 4.42 H new ATOM 0 HB3 ASP A 86 24.577 49.526 -40.206 1.00 4.42 H new ATOM 1270 N ILE A 87 21.142 49.419 -42.350 1.00 70.13 N ATOM 1271 CA ILE A 87 20.755 50.197 -43.511 1.00 11.31 C ATOM 1272 C ILE A 87 20.380 51.611 -43.077 1.00 5.45 C ATOM 1273 O ILE A 87 19.255 51.864 -42.642 1.00 31.44 O ATOM 1274 CB ILE A 87 19.574 49.554 -44.274 1.00 73.15 C ATOM 1275 CG1 ILE A 87 19.906 48.104 -44.645 1.00 41.53 C ATOM 1276 CG2 ILE A 87 19.250 50.361 -45.526 1.00 33.35 C ATOM 1277 CD1 ILE A 87 18.773 47.374 -45.343 1.00 31.30 C ATOM 0 H ILE A 87 20.386 48.882 -41.925 1.00 70.13 H new ATOM 0 HA ILE A 87 21.607 50.227 -44.190 1.00 11.31 H new ATOM 0 HB ILE A 87 18.699 49.555 -43.624 1.00 73.15 H new ATOM 0 HG12 ILE A 87 20.783 48.096 -45.292 1.00 41.53 H new ATOM 0 HG13 ILE A 87 20.173 47.559 -43.739 1.00 41.53 H new ATOM 0 HG21 ILE A 87 18.417 49.896 -46.053 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.979 51.378 -45.243 1.00 33.35 H new ATOM 0 HG23 ILE A 87 20.123 50.386 -46.178 1.00 33.35 H new ATOM 0 HD11 ILE A 87 19.084 46.355 -45.573 1.00 31.30 H new ATOM 0 HD12 ILE A 87 17.900 47.348 -44.691 1.00 31.30 H new ATOM 0 HD13 ILE A 87 18.520 47.894 -46.267 1.00 31.30 H new ATOM 1289 N ALA A 88 21.341 52.518 -43.164 1.00 34.53 N ATOM 1290 CA ALA A 88 21.124 53.899 -42.783 1.00 21.21 C ATOM 1291 C ALA A 88 20.594 54.699 -43.963 1.00 23.43 C ATOM 1292 O ALA A 88 21.278 54.868 -44.974 1.00 54.14 O ATOM 1293 CB ALA A 88 22.413 54.513 -42.256 1.00 40.44 C ATOM 0 H ALA A 88 22.284 52.317 -43.498 1.00 34.53 H new ATOM 0 HA ALA A 88 20.379 53.926 -41.987 1.00 21.21 H new ATOM 0 HB1 ALA A 88 22.233 55.550 -41.974 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.753 53.954 -41.384 1.00 40.44 H new ATOM 0 HB3 ALA A 88 23.178 54.475 -43.032 1.00 40.44 H new ATOM 1299 N ASN A 89 19.365 55.164 -43.839 1.00 52.24 N ATOM 1300 CA ASN A 89 18.751 55.976 -44.874 1.00 21.13 C ATOM 1301 C ASN A 89 18.603 57.410 -44.397 1.00 22.12 C ATOM 1302 O ASN A 89 17.835 57.694 -43.483 1.00 62.21 O ATOM 1303 CB ASN A 89 17.384 55.407 -45.267 1.00 44.43 C ATOM 1304 CG ASN A 89 16.715 56.184 -46.392 1.00 51.24 C ATOM 1305 OD1 ASN A 89 15.488 56.270 -46.454 1.00 34.21 O ATOM 1306 ND2 ASN A 89 17.503 56.740 -47.305 1.00 52.10 N ATOM 0 H ASN A 89 18.770 54.993 -43.029 1.00 52.24 H new ATOM 0 HA ASN A 89 19.397 55.960 -45.752 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.504 54.368 -45.573 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.732 55.409 -44.394 1.00 44.43 H new ATOM 0 HD21 ASN A 89 17.095 57.256 -48.085 1.00 52.10 H new ATOM 0 HD22 ASN A 89 18.516 56.651 -47.226 1.00 52.10 H new ATOM 1313 N ARG A 90 19.370 58.302 -44.997 1.00 34.23 N ATOM 1314 CA ARG A 90 19.262 59.718 -44.696 1.00 61.53 C ATOM 1315 C ARG A 90 19.079 60.499 -45.989 1.00 14.51 C ATOM 1316 O ARG A 90 19.785 60.246 -46.970 1.00 31.12 O ATOM 1317 CB ARG A 90 20.499 60.214 -43.941 1.00 1.00 C ATOM 1318 CG ARG A 90 20.319 61.596 -43.330 1.00 75.44 C ATOM 1319 CD ARG A 90 21.544 62.030 -42.538 1.00 14.21 C ATOM 1320 NE ARG A 90 22.716 62.230 -43.387 1.00 45.22 N ATOM 1321 CZ ARG A 90 23.101 63.416 -43.850 1.00 45.51 C ATOM 1322 NH1 ARG A 90 22.391 64.504 -43.574 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 24.199 63.521 -44.583 1.00 21.12 N ATOM 0 H ARG A 90 20.075 58.071 -45.697 1.00 34.23 H new ATOM 0 HA ARG A 90 18.395 59.875 -44.054 1.00 61.53 H new ATOM 0 HB2 ARG A 90 20.742 59.504 -43.150 1.00 1.00 H new ATOM 0 HB3 ARG A 90 21.349 60.234 -44.624 1.00 1.00 H new ATOM 0 HG2 ARG A 90 20.123 62.320 -44.121 1.00 75.44 H new ATOM 0 HG3 ARG A 90 19.446 61.593 -42.677 1.00 75.44 H new ATOM 0 HD2 ARG A 90 21.321 62.956 -42.008 1.00 14.21 H new ATOM 0 HD3 ARG A 90 21.770 61.277 -41.783 1.00 14.21 H new ATOM 0 HE ARG A 90 23.271 61.413 -43.639 1.00 45.22 H new ATOM 0 HH11 ARG A 90 21.547 64.432 -43.005 1.00 34.45 H new ATOM 0 HH12 ARG A 90 22.689 65.412 -43.931 1.00 34.45 H new ATOM 0 HH21 ARG A 90 24.753 62.691 -44.794 1.00 21.12 H new ATOM 0 HH22 ARG A 90 24.491 64.432 -44.936 1.00 21.12 H new ATOM 1337 N ASP A 91 18.119 61.426 -45.983 1.00 14.33 N ATOM 1338 CA ASP A 91 17.760 62.211 -47.172 1.00 71.02 C ATOM 1339 C ASP A 91 17.194 61.306 -48.260 1.00 43.52 C ATOM 1340 O ASP A 91 15.983 61.101 -48.355 1.00 61.51 O ATOM 1341 CB ASP A 91 18.965 62.989 -47.731 1.00 34.34 C ATOM 1342 CG ASP A 91 19.457 64.083 -46.809 1.00 2.00 C ATOM 1343 OD1 ASP A 91 20.517 63.900 -46.172 1.00 21.24 O ATOM 1344 OD2 ASP A 91 18.794 65.136 -46.733 1.00 32.31 O1- ATOM 0 H ASP A 91 17.568 61.656 -45.156 1.00 14.33 H new ATOM 0 HA ASP A 91 17.002 62.931 -46.863 1.00 71.02 H new ATOM 0 HB2 ASP A 91 19.781 62.292 -47.922 1.00 34.34 H new ATOM 0 HB3 ASP A 91 18.690 63.429 -48.690 1.00 34.34 H new ATOM 1349 N GLY A 92 18.087 60.744 -49.052 1.00 75.32 N ATOM 1350 CA GLY A 92 17.704 59.821 -50.095 1.00 62.34 C ATOM 1351 C GLY A 92 18.782 58.789 -50.327 1.00 52.21 C ATOM 1352 O GLY A 92 18.783 58.089 -51.338 1.00 23.30 O ATOM 0 H GLY A 92 19.091 60.915 -48.989 1.00 75.32 H new ATOM 0 HA2 GLY A 92 16.773 59.324 -49.822 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.515 60.368 -51.018 1.00 62.34 H new ATOM 1356 N GLN A 93 19.705 58.697 -49.379 1.00 55.42 N ATOM 1357 CA GLN A 93 20.830 57.785 -49.492 1.00 43.03 C ATOM 1358 C GLN A 93 20.564 56.501 -48.721 1.00 53.23 C ATOM 1359 O GLN A 93 20.259 56.533 -47.530 1.00 62.41 O ATOM 1360 CB GLN A 93 22.107 58.444 -48.956 1.00 32.14 C ATOM 1361 CG GLN A 93 22.537 59.681 -49.727 1.00 62.32 C ATOM 1362 CD GLN A 93 23.885 59.513 -50.406 1.00 5.43 C ATOM 1363 OE1 GLN A 93 24.633 60.476 -50.566 1.00 25.23 O ATOM 1364 NE2 GLN A 93 24.201 58.294 -50.817 1.00 33.20 N ATOM 0 H GLN A 93 19.694 59.247 -48.520 1.00 55.42 H new ATOM 0 HA GLN A 93 20.962 57.544 -50.547 1.00 43.03 H new ATOM 0 HB2 GLN A 93 21.952 58.715 -47.912 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.917 57.715 -48.979 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.783 59.915 -50.479 1.00 62.32 H new ATOM 0 HG3 GLN A 93 22.582 60.531 -49.046 1.00 62.32 H new ATOM 0 HE21 GLN A 93 23.553 57.521 -50.666 1.00 33.20 H new ATOM 0 HE22 GLN A 93 25.092 58.129 -51.285 1.00 33.20 H new ATOM 1373 N LEU A 94 20.658 55.378 -49.410 1.00 22.14 N ATOM 1374 CA LEU A 94 20.609 54.080 -48.758 1.00 50.31 C ATOM 1375 C LEU A 94 22.031 53.606 -48.512 1.00 43.43 C ATOM 1376 O LEU A 94 22.713 53.158 -49.432 1.00 52.24 O ATOM 1377 CB LEU A 94 19.844 53.053 -49.603 1.00 41.23 C ATOM 1378 CG LEU A 94 18.311 53.146 -49.557 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.808 53.010 -48.127 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.816 54.447 -50.179 1.00 42.11 C ATOM 0 H LEU A 94 20.769 55.338 -50.423 1.00 22.14 H new ATOM 0 HA LEU A 94 20.077 54.180 -47.812 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.163 53.157 -50.640 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.137 52.055 -49.278 1.00 41.23 H new ATOM 0 HG LEU A 94 17.909 52.321 -50.145 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.720 53.079 -48.116 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.115 52.045 -47.724 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.228 53.809 -47.516 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.728 54.482 -50.131 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.231 55.293 -49.631 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.135 54.497 -51.220 1.00 42.11 H new ATOM 1392 N GLN A 95 22.490 53.754 -47.283 1.00 22.34 N ATOM 1393 CA GLN A 95 23.867 53.449 -46.949 1.00 52.10 C ATOM 1394 C GLN A 95 23.938 52.313 -45.933 1.00 55.53 C ATOM 1395 O GLN A 95 23.552 52.473 -44.779 1.00 20.22 O ATOM 1396 CB GLN A 95 24.543 54.714 -46.417 1.00 54.30 C ATOM 1397 CG GLN A 95 26.006 54.538 -46.048 1.00 4.25 C ATOM 1398 CD GLN A 95 26.715 55.860 -45.800 1.00 5.40 C ATOM 1399 OE1 GLN A 95 27.618 55.947 -44.967 1.00 14.41 O ATOM 1400 NE2 GLN A 95 26.343 56.892 -46.542 1.00 5.31 N ATOM 0 H GLN A 95 21.927 54.084 -46.499 1.00 22.34 H new ATOM 0 HA GLN A 95 24.394 53.115 -47.843 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.463 55.498 -47.170 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.999 55.060 -45.538 1.00 54.30 H new ATOM 0 HG2 GLN A 95 26.078 53.919 -45.154 1.00 4.25 H new ATOM 0 HG3 GLN A 95 26.516 54.002 -46.849 1.00 4.25 H new ATOM 0 HE21 GLN A 95 25.591 56.786 -47.223 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.808 57.793 -46.432 1.00 5.31 H new ATOM 1409 N LEU A 96 24.422 51.167 -46.381 1.00 75.11 N ATOM 1410 CA LEU A 96 24.489 49.979 -45.547 1.00 53.33 C ATOM 1411 C LEU A 96 25.808 49.922 -44.783 1.00 12.32 C ATOM 1412 O LEU A 96 26.865 49.707 -45.369 1.00 51.50 O ATOM 1413 CB LEU A 96 24.328 48.730 -46.419 1.00 11.23 C ATOM 1414 CG LEU A 96 24.489 47.392 -45.694 1.00 54.15 C ATOM 1415 CD1 LEU A 96 23.438 47.245 -44.609 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.403 46.240 -46.685 1.00 11.35 C ATOM 0 H LEU A 96 24.778 51.034 -47.328 1.00 75.11 H new ATOM 0 HA LEU A 96 23.679 50.019 -44.818 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.341 48.756 -46.881 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.059 48.776 -47.226 1.00 11.23 H new ATOM 0 HG LEU A 96 25.471 47.368 -45.222 1.00 54.15 H new ATOM 0 HD11 LEU A 96 23.568 46.288 -44.104 1.00 12.31 H new ATOM 0 HD12 LEU A 96 23.545 48.054 -43.886 1.00 12.31 H new ATOM 0 HD13 LEU A 96 22.445 47.288 -45.056 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.519 45.295 -46.155 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.434 46.260 -47.183 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.195 46.339 -47.428 1.00 11.35 H new ATOM 1428 N ASN A 97 25.739 50.124 -43.478 1.00 24.34 N ATOM 1429 CA ASN A 97 26.920 50.057 -42.629 1.00 24.31 C ATOM 1430 C ASN A 97 27.010 48.688 -41.978 1.00 43.41 C ATOM 1431 O ASN A 97 26.480 48.473 -40.888 1.00 33.42 O ATOM 1432 CB ASN A 97 26.891 51.137 -41.538 1.00 32.34 C ATOM 1433 CG ASN A 97 26.833 52.546 -42.090 1.00 4.11 C ATOM 1434 OD1 ASN A 97 27.862 53.147 -42.399 1.00 11.22 O ATOM 1435 ND2 ASN A 97 25.633 53.098 -42.176 1.00 2.51 N ATOM 0 H ASN A 97 24.874 50.337 -42.980 1.00 24.34 H new ATOM 0 HA ASN A 97 27.793 50.229 -43.259 1.00 24.31 H new ATOM 0 HB2 ASN A 97 26.027 50.971 -40.895 1.00 32.34 H new ATOM 0 HB3 ASN A 97 27.778 51.036 -40.913 1.00 32.34 H new ATOM 0 HD21 ASN A 97 25.536 54.057 -42.509 1.00 2.51 H new ATOM 0 HD22 ASN A 97 24.806 52.564 -41.910 1.00 2.51 H new ATOM 1442 N VAL A 98 27.651 47.750 -42.654 1.00 45.14 N ATOM 1443 CA VAL A 98 27.819 46.418 -42.103 1.00 72.02 C ATOM 1444 C VAL A 98 28.944 46.401 -41.089 1.00 15.31 C ATOM 1445 O VAL A 98 30.121 46.427 -41.443 1.00 42.35 O ATOM 1446 CB VAL A 98 28.078 45.359 -43.196 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.551 44.045 -42.591 1.00 50.42 C ATOM 1448 CG2 VAL A 98 26.818 45.134 -43.997 1.00 24.02 C ATOM 0 H VAL A 98 28.061 47.885 -43.578 1.00 45.14 H new ATOM 0 HA VAL A 98 26.882 46.158 -41.610 1.00 72.02 H new ATOM 0 HB VAL A 98 28.866 45.731 -43.851 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.725 43.320 -43.386 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.478 44.210 -42.042 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.790 43.662 -41.911 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.005 44.386 -44.767 1.00 24.02 H new ATOM 0 HG22 VAL A 98 26.025 44.784 -43.337 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.513 46.069 -44.466 1.00 24.02 H new ATOM 1458 N THR A 99 28.569 46.396 -39.829 1.00 13.53 N ATOM 1459 CA THR A 99 29.530 46.302 -38.755 1.00 63.52 C ATOM 1460 C THR A 99 29.754 44.836 -38.404 1.00 34.14 C ATOM 1461 O THR A 99 28.878 44.187 -37.831 1.00 52.04 O ATOM 1462 CB THR A 99 29.034 47.071 -37.517 1.00 15.12 C ATOM 1463 OG1 THR A 99 28.650 48.403 -37.893 1.00 32.14 O ATOM 1464 CG2 THR A 99 30.112 47.134 -36.442 1.00 64.32 C ATOM 0 H THR A 99 27.598 46.456 -39.523 1.00 13.53 H new ATOM 0 HA THR A 99 30.471 46.747 -39.080 1.00 63.52 H new ATOM 0 HB THR A 99 28.173 46.541 -37.110 1.00 15.12 H new ATOM 0 HG1 THR A 99 28.334 48.888 -37.102 1.00 32.14 H new ATOM 0 HG21 THR A 99 29.734 47.683 -35.579 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.383 46.123 -36.138 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.992 47.642 -36.838 1.00 64.32 H new ATOM 1472 N ASP A 100 30.902 44.303 -38.790 1.00 61.11 N ATOM 1473 CA ASP A 100 31.200 42.897 -38.553 1.00 23.41 C ATOM 1474 C ASP A 100 31.250 42.601 -37.061 1.00 63.40 C ATOM 1475 O ASP A 100 31.770 43.395 -36.271 1.00 62.23 O ATOM 1476 CB ASP A 100 32.519 42.501 -39.206 1.00 14.41 C ATOM 1477 CG ASP A 100 32.762 41.007 -39.136 1.00 53.52 C ATOM 1478 OD1 ASP A 100 33.381 40.550 -38.156 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.343 40.285 -40.059 1.00 11.31 O1- ATOM 0 H ASP A 100 31.641 44.819 -39.267 1.00 61.11 H new ATOM 0 HA ASP A 100 30.400 42.308 -39.002 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.517 42.819 -40.248 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.339 43.025 -38.714 1.00 14.41 H new ATOM 1484 N ARG A 101 30.713 41.454 -36.687 1.00 1.22 N ATOM 1485 CA ARG A 101 30.587 41.086 -35.287 1.00 70.42 C ATOM 1486 C ARG A 101 31.924 40.629 -34.697 1.00 41.44 C ATOM 1487 O ARG A 101 32.224 40.910 -33.536 1.00 3.54 O ATOM 1488 CB ARG A 101 29.550 39.972 -35.148 1.00 70.04 C ATOM 1489 CG ARG A 101 29.299 39.536 -33.716 1.00 12.41 C ATOM 1490 CD ARG A 101 28.490 40.564 -32.943 1.00 13.24 C ATOM 1491 NE ARG A 101 27.096 40.615 -33.388 1.00 14.53 N ATOM 1492 CZ ARG A 101 26.212 41.517 -32.963 1.00 32.32 C ATOM 1493 NH1 ARG A 101 26.591 42.484 -32.136 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 24.955 41.476 -33.387 1.00 52.25 N ATOM 0 H ARG A 101 30.354 40.756 -37.338 1.00 1.22 H new ATOM 0 HA ARG A 101 30.267 41.968 -34.732 1.00 70.42 H new ATOM 0 HB2 ARG A 101 28.610 40.309 -35.584 1.00 70.04 H new ATOM 0 HB3 ARG A 101 29.879 39.109 -35.727 1.00 70.04 H new ATOM 0 HG2 ARG A 101 28.771 38.583 -33.714 1.00 12.41 H new ATOM 0 HG3 ARG A 101 30.253 39.373 -33.214 1.00 12.41 H new ATOM 0 HD2 ARG A 101 28.522 40.325 -31.880 1.00 13.24 H new ATOM 0 HD3 ARG A 101 28.945 41.547 -33.063 1.00 13.24 H new ATOM 0 HE ARG A 101 26.783 39.918 -34.064 1.00 14.53 H new ATOM 0 HH11 ARG A 101 27.561 42.538 -31.825 1.00 20.33 H new ATOM 0 HH12 ARG A 101 25.912 43.173 -31.812 1.00 20.33 H new ATOM 0 HH21 ARG A 101 24.661 40.751 -34.042 1.00 52.25 H new ATOM 0 HH22 ARG A 101 24.283 42.169 -33.058 1.00 52.25 H new ATOM 1508 N LYS A 102 32.737 39.949 -35.501 1.00 25.22 N ATOM 1509 CA LYS A 102 33.920 39.270 -34.981 1.00 51.24 C ATOM 1510 C LYS A 102 35.198 40.054 -35.268 1.00 24.03 C ATOM 1511 O LYS A 102 36.030 40.252 -34.378 1.00 61.52 O ATOM 1512 CB LYS A 102 34.019 37.867 -35.579 1.00 63.24 C ATOM 1513 CG LYS A 102 32.746 37.051 -35.409 1.00 64.00 C ATOM 1514 CD LYS A 102 32.912 35.629 -35.914 1.00 42.35 C ATOM 1515 CE LYS A 102 33.302 35.589 -37.383 1.00 32.33 C ATOM 1516 NZ LYS A 102 33.448 34.195 -37.873 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.600 39.854 -36.507 1.00 25.22 H new ATOM 0 HA LYS A 102 33.814 39.200 -33.898 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.252 37.947 -36.641 1.00 63.24 H new ATOM 0 HB3 LYS A 102 34.848 37.337 -35.110 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.465 37.032 -34.356 1.00 64.00 H new ATOM 0 HG3 LYS A 102 31.931 37.534 -35.947 1.00 64.00 H new ATOM 0 HD2 LYS A 102 33.674 35.121 -35.323 1.00 42.35 H new ATOM 0 HD3 LYS A 102 31.980 35.082 -35.771 1.00 42.35 H new ATOM 0 HE2 LYS A 102 32.546 36.106 -37.975 1.00 32.33 H new ATOM 0 HE3 LYS A 102 34.240 36.125 -37.526 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 33.714 34.206 -38.878 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 34.187 33.710 -37.325 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 32.545 33.691 -37.760 1.00 73.14 H new ATOM 1530 N THR A 103 35.351 40.499 -36.501 1.00 32.11 N ATOM 1531 CA THR A 103 36.535 41.242 -36.903 1.00 65.25 C ATOM 1532 C THR A 103 36.326 42.736 -36.687 1.00 51.12 C ATOM 1533 O THR A 103 37.278 43.489 -36.479 1.00 72.12 O ATOM 1534 CB THR A 103 36.888 40.975 -38.380 1.00 3.51 C ATOM 1535 OG1 THR A 103 35.758 41.254 -39.218 1.00 71.14 O ATOM 1536 CG2 THR A 103 37.323 39.531 -38.578 1.00 15.44 C ATOM 0 H THR A 103 34.668 40.359 -37.246 1.00 32.11 H new ATOM 0 HA THR A 103 37.364 40.902 -36.283 1.00 65.25 H new ATOM 0 HB THR A 103 37.713 41.632 -38.655 1.00 3.51 H new ATOM 0 HG1 THR A 103 35.994 41.082 -40.153 1.00 71.14 H new ATOM 0 HG21 THR A 103 37.567 39.365 -39.627 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.201 39.328 -37.965 1.00 15.44 H new ATOM 0 HG23 THR A 103 36.513 38.863 -38.284 1.00 15.44 H new ATOM 1544 N GLY A 104 35.069 43.156 -36.734 1.00 65.24 N ATOM 1545 CA GLY A 104 34.742 44.550 -36.508 1.00 42.41 C ATOM 1546 C GLY A 104 34.954 45.410 -37.735 1.00 24.42 C ATOM 1547 O GLY A 104 35.082 46.630 -37.632 1.00 13.23 O ATOM 0 H GLY A 104 34.268 42.554 -36.925 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.702 44.627 -36.191 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.353 44.934 -35.691 1.00 42.41 H new ATOM 1551 N GLN A 105 35.013 44.775 -38.896 1.00 51.35 N ATOM 1552 CA GLN A 105 35.102 45.499 -40.155 1.00 72.04 C ATOM 1553 C GLN A 105 33.836 46.311 -40.386 1.00 12.40 C ATOM 1554 O GLN A 105 32.734 45.766 -40.361 1.00 64.30 O ATOM 1555 CB GLN A 105 35.299 44.532 -41.325 1.00 71.44 C ATOM 1556 CG GLN A 105 36.648 43.836 -41.335 1.00 11.23 C ATOM 1557 CD GLN A 105 36.787 42.864 -42.492 1.00 44.43 C ATOM 1558 OE1 GLN A 105 36.176 43.043 -43.547 1.00 42.45 O ATOM 1559 NE2 GLN A 105 37.600 41.838 -42.309 1.00 23.32 N ATOM 0 H GLN A 105 35.001 43.760 -38.992 1.00 51.35 H new ATOM 0 HA GLN A 105 35.961 46.168 -40.098 1.00 72.04 H new ATOM 0 HB2 GLN A 105 34.513 43.777 -41.294 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.178 45.080 -42.259 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.439 44.583 -41.394 1.00 11.23 H new ATOM 0 HG3 GLN A 105 36.785 43.301 -40.395 1.00 11.23 H new ATOM 0 HE21 GLN A 105 38.087 41.726 -41.420 1.00 23.32 H new ATOM 0 HE22 GLN A 105 37.740 41.159 -43.057 1.00 23.32 H new ATOM 1568 N THR A 106 33.990 47.606 -40.592 1.00 25.35 N ATOM 1569 CA THR A 106 32.857 48.450 -40.921 1.00 43.25 C ATOM 1570 C THR A 106 32.723 48.557 -42.434 1.00 44.11 C ATOM 1571 O THR A 106 33.351 49.401 -43.072 1.00 33.22 O ATOM 1572 CB THR A 106 32.988 49.855 -40.301 1.00 61.32 C ATOM 1573 OG1 THR A 106 33.208 49.743 -38.888 1.00 1.35 O ATOM 1574 CG2 THR A 106 31.732 50.679 -40.555 1.00 5.13 C ATOM 0 H THR A 106 34.884 48.094 -40.538 1.00 25.35 H new ATOM 0 HA THR A 106 31.962 47.990 -40.502 1.00 43.25 H new ATOM 0 HB THR A 106 33.835 50.358 -40.767 1.00 61.32 H new ATOM 0 HG1 THR A 106 33.292 50.638 -38.498 1.00 1.35 H new ATOM 0 HG21 THR A 106 31.848 51.666 -40.108 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.576 50.783 -41.629 1.00 5.13 H new ATOM 0 HG23 THR A 106 30.872 50.178 -40.110 1.00 5.13 H new ATOM 1582 N SER A 107 31.937 47.665 -43.007 1.00 30.10 N ATOM 1583 CA SER A 107 31.736 47.641 -44.437 1.00 71.15 C ATOM 1584 C SER A 107 30.573 48.555 -44.805 1.00 42.21 C ATOM 1585 O SER A 107 29.414 48.138 -44.813 1.00 53.14 O ATOM 1586 CB SER A 107 31.480 46.205 -44.911 1.00 62.32 C ATOM 1587 OG SER A 107 31.492 46.113 -46.326 1.00 35.01 O ATOM 0 H SER A 107 31.426 46.945 -42.497 1.00 30.10 H new ATOM 0 HA SER A 107 32.634 48.004 -44.936 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.240 45.543 -44.496 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.517 45.862 -44.532 1.00 62.32 H new ATOM 0 HG SER A 107 31.327 45.185 -46.595 1.00 35.01 H new ATOM 1593 N THR A 108 30.888 49.815 -45.053 1.00 61.34 N ATOM 1594 CA THR A 108 29.883 50.790 -45.425 1.00 45.01 C ATOM 1595 C THR A 108 29.660 50.769 -46.932 1.00 51.14 C ATOM 1596 O THR A 108 30.473 51.283 -47.703 1.00 24.12 O ATOM 1597 CB THR A 108 30.294 52.203 -44.980 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.609 52.201 -43.582 1.00 42.23 O ATOM 1599 CG2 THR A 108 29.177 53.194 -45.240 1.00 12.31 C ATOM 0 H THR A 108 31.837 50.186 -45.002 1.00 61.34 H new ATOM 0 HA THR A 108 28.954 50.525 -44.920 1.00 45.01 H new ATOM 0 HB THR A 108 31.171 52.501 -45.555 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.829 52.500 -43.070 1.00 42.23 H new ATOM 0 HG21 THR A 108 29.489 54.187 -44.918 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.949 53.214 -46.306 1.00 12.31 H new ATOM 0 HG23 THR A 108 28.288 52.895 -44.684 1.00 12.31 H new ATOM 1607 N ILE A 109 28.568 50.151 -47.342 1.00 13.34 N ATOM 1608 CA ILE A 109 28.256 49.995 -48.750 1.00 55.11 C ATOM 1609 C ILE A 109 27.043 50.837 -49.133 1.00 14.15 C ATOM 1610 O ILE A 109 25.915 50.545 -48.727 1.00 1.14 O ATOM 1611 CB ILE A 109 27.976 48.516 -49.097 1.00 61.20 C ATOM 1612 CG1 ILE A 109 29.153 47.630 -48.668 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.702 48.360 -50.587 1.00 4.42 C ATOM 1614 CD1 ILE A 109 28.910 46.151 -48.883 1.00 12.41 C ATOM 0 H ILE A 109 27.876 49.745 -46.712 1.00 13.34 H new ATOM 0 HA ILE A 109 29.124 50.335 -49.314 1.00 55.11 H new ATOM 0 HB ILE A 109 27.089 48.196 -48.550 1.00 61.20 H new ATOM 0 HG12 ILE A 109 30.042 47.928 -49.224 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.363 47.805 -47.613 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.507 47.312 -50.813 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.833 48.958 -50.862 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.569 48.698 -51.154 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.784 45.587 -48.557 1.00 12.41 H new ATOM 0 HD12 ILE A 109 28.040 45.837 -48.306 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.730 45.962 -49.941 1.00 12.41 H new ATOM 1626 N GLN A 110 27.277 51.897 -49.892 1.00 42.43 N ATOM 1627 CA GLN A 110 26.185 52.699 -50.420 1.00 3.53 C ATOM 1628 C GLN A 110 25.522 51.991 -51.583 1.00 10.22 C ATOM 1629 O GLN A 110 26.176 51.251 -52.329 1.00 61.10 O ATOM 1630 CB GLN A 110 26.667 54.074 -50.884 1.00 51.25 C ATOM 1631 CG GLN A 110 26.849 55.069 -49.757 1.00 2.41 C ATOM 1632 CD GLN A 110 27.183 56.462 -50.259 1.00 4.14 C ATOM 1633 OE1 GLN A 110 26.731 56.872 -51.330 1.00 23.33 O ATOM 1634 NE2 GLN A 110 27.985 57.194 -49.501 1.00 32.10 N ATOM 0 H GLN A 110 28.208 52.220 -50.155 1.00 42.43 H new ATOM 0 HA GLN A 110 25.467 52.836 -49.611 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.614 53.958 -51.411 1.00 51.25 H new ATOM 0 HB3 GLN A 110 25.951 54.477 -51.600 1.00 51.25 H new ATOM 0 HG2 GLN A 110 25.937 55.110 -49.162 1.00 2.41 H new ATOM 0 HG3 GLN A 110 27.645 54.724 -49.097 1.00 2.41 H new ATOM 0 HE21 GLN A 110 28.338 56.818 -48.621 1.00 32.10 H new ATOM 0 HE22 GLN A 110 28.250 58.133 -49.797 1.00 32.10 H new ATOM 1643 N VAL A 111 24.224 52.206 -51.717 1.00 22.34 N ATOM 1644 CA VAL A 111 23.471 51.697 -52.848 1.00 74.24 C ATOM 1645 C VAL A 111 24.099 52.176 -54.159 1.00 21.00 C ATOM 1646 O VAL A 111 24.368 53.363 -54.336 1.00 75.11 O ATOM 1647 CB VAL A 111 21.987 52.131 -52.770 1.00 73.33 C ATOM 1648 CG1 VAL A 111 21.856 53.644 -52.638 1.00 13.23 C ATOM 1649 CG2 VAL A 111 21.221 51.635 -53.979 1.00 44.35 C ATOM 0 H VAL A 111 23.666 52.736 -51.048 1.00 22.34 H new ATOM 0 HA VAL A 111 23.505 50.608 -52.817 1.00 74.24 H new ATOM 0 HB VAL A 111 21.557 51.680 -51.876 1.00 73.33 H new ATOM 0 HG11 VAL A 111 20.801 53.915 -52.586 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.361 53.975 -51.731 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.312 54.126 -53.503 1.00 13.23 H new ATOM 0 HG21 VAL A 111 20.180 51.950 -53.905 1.00 44.35 H new ATOM 0 HG22 VAL A 111 21.662 52.050 -54.885 1.00 44.35 H new ATOM 0 HG23 VAL A 111 21.268 50.547 -54.018 1.00 44.35 H new