USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 578 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 101 GLN : amide:sc= 0.0871 K(o=0.79,f=-3.6!) USER MOD Set 1.2: A 150 ASN : amide:sc= 0.701 K(o=0.79,f=-0.86) USER MOD Set 2.1: A 98 SER OG : rot 45:sc= -0.984 USER MOD Set 2.2: A 153 HIS : no HD1:sc= -0.124 K(o=-1.1,f=-5.3!) USER MOD Set 3.1: A 64 LYS NZ :NH3+ -171:sc= 0.814 (180deg=0.578) USER MOD Set 3.2: A 125 SER OG : rot -134:sc= -1.3! USER MOD Set 4.1: A 57 CYS SG : rot 160:sc= 0.264 USER MOD Set 4.2: A 109 HIS : +bothHN:sc= 0.429 K(o=0.69,f=-2.4) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.81! C(o=-1.8!,f=-2.2!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -66:sc= 0.0699 USER MOD Single : A 62 TYR OH : rot -69:sc= 0.456 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 47:sc= 0.571 USER MOD Single : A 72 THR OG1 : rot -48:sc= 0.852 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.1!) USER MOD Single : A 78 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.2) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -170:sc= 0.829 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.027 X(o=-0.027,f=-0.35) USER MOD Single : A 92 ASN : amide:sc= 0.027 X(o=0.027,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 115 ASN : amide:sc= 0.123 X(o=0.12,f=-0.04) USER MOD Single : A 117 ASN : amide:sc= 0.403 X(o=0.4,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 127 MET CE :methyl -129:sc= -0.123 (180deg=-0.805) USER MOD Single : A 140 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 142 SER OG : rot 86:sc= 0.533 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 TYR OH : rot 180:sc= -1.52! USER MOD ----------------------------------------------------------------- ATOM 723 N THR A 53 -8.175 -4.974 -12.844 1.00 13.24 N ATOM 724 CA THR A 53 -9.528 -5.540 -12.990 1.00 53.01 C ATOM 725 C THR A 53 -10.172 -5.873 -11.637 1.00 61.25 C ATOM 726 O THR A 53 -9.479 -6.168 -10.661 1.00 60.40 O ATOM 727 CB THR A 53 -9.527 -6.809 -13.880 1.00 64.31 C ATOM 728 OG1 THR A 53 -10.870 -7.137 -14.264 1.00 64.13 O ATOM 729 CG2 THR A 53 -8.903 -8.006 -13.170 1.00 70.02 C ATOM 0 HA THR A 53 -10.122 -4.764 -13.474 1.00 53.01 H new ATOM 0 HB THR A 53 -8.925 -6.587 -14.761 1.00 64.31 H new ATOM 0 HG1 THR A 53 -10.863 -7.939 -14.828 1.00 64.13 H new ATOM 0 HG21 THR A 53 -8.924 -8.872 -13.831 1.00 70.02 H new ATOM 0 HG22 THR A 53 -7.871 -7.775 -12.907 1.00 70.02 H new ATOM 0 HG23 THR A 53 -9.468 -8.227 -12.264 1.00 70.02 H new ATOM 737 N ALA A 54 -11.505 -5.834 -11.593 1.00 21.20 N ATOM 738 CA ALA A 54 -12.256 -6.096 -10.359 1.00 43.12 C ATOM 739 C ALA A 54 -11.931 -7.480 -9.771 1.00 42.24 C ATOM 740 O ALA A 54 -11.724 -8.452 -10.506 1.00 20.44 O ATOM 741 CB ALA A 54 -13.755 -5.967 -10.619 1.00 43.22 C ATOM 0 H ALA A 54 -12.091 -5.623 -12.401 1.00 21.20 H new ATOM 0 HA ALA A 54 -11.953 -5.351 -9.623 1.00 43.12 H new ATOM 0 HB1 ALA A 54 -14.302 -6.163 -9.697 1.00 43.22 H new ATOM 0 HB2 ALA A 54 -13.979 -4.958 -10.966 1.00 43.22 H new ATOM 0 HB3 ALA A 54 -14.056 -6.687 -11.380 1.00 43.22 H new ATOM 747 N GLY A 55 -11.882 -7.555 -8.441 1.00 43.13 N ATOM 748 CA GLY A 55 -11.561 -8.806 -7.758 1.00 34.13 C ATOM 749 C GLY A 55 -10.081 -8.938 -7.403 1.00 42.12 C ATOM 750 O GLY A 55 -9.711 -9.761 -6.561 1.00 45.21 O ATOM 0 H GLY A 55 -12.060 -6.767 -7.818 1.00 43.13 H new ATOM 0 HA2 GLY A 55 -12.154 -8.877 -6.846 1.00 34.13 H new ATOM 0 HA3 GLY A 55 -11.851 -9.643 -8.393 1.00 34.13 H new ATOM 754 N GLN A 56 -9.233 -8.139 -8.048 1.00 51.33 N ATOM 755 CA GLN A 56 -7.796 -8.128 -7.750 1.00 61.22 C ATOM 756 C GLN A 56 -7.477 -7.227 -6.548 1.00 32.15 C ATOM 757 O GLN A 56 -8.059 -6.153 -6.394 1.00 74.42 O ATOM 758 CB GLN A 56 -6.992 -7.642 -8.966 1.00 32.21 C ATOM 759 CG GLN A 56 -6.985 -8.612 -10.146 1.00 63.53 C ATOM 760 CD GLN A 56 -6.099 -8.139 -11.292 1.00 24.44 C ATOM 761 OE1 GLN A 56 -5.965 -6.945 -11.539 1.00 15.13 O ATOM 762 NE2 GLN A 56 -5.481 -9.069 -11.995 1.00 22.51 N ATOM 0 H GLN A 56 -9.514 -7.489 -8.782 1.00 51.33 H new ATOM 0 HA GLN A 56 -7.512 -9.152 -7.508 1.00 61.22 H new ATOM 0 HB2 GLN A 56 -7.400 -6.688 -9.298 1.00 32.21 H new ATOM 0 HB3 GLN A 56 -5.963 -7.458 -8.656 1.00 32.21 H new ATOM 0 HG2 GLN A 56 -6.641 -9.589 -9.806 1.00 63.53 H new ATOM 0 HG3 GLN A 56 -8.004 -8.742 -10.510 1.00 63.53 H new ATOM 0 HE21 GLN A 56 -5.613 -10.054 -11.765 1.00 22.51 H new ATOM 0 HE22 GLN A 56 -4.872 -8.803 -12.768 1.00 22.51 H new ATOM 771 N CYS A 57 -6.535 -7.664 -5.709 1.00 11.42 N ATOM 772 CA CYS A 57 -6.066 -6.849 -4.579 1.00 13.21 C ATOM 773 C CYS A 57 -5.467 -5.520 -5.067 1.00 45.24 C ATOM 774 O CYS A 57 -5.524 -4.503 -4.382 1.00 5.40 O ATOM 775 CB CYS A 57 -5.015 -7.619 -3.768 1.00 1.14 C ATOM 776 SG CYS A 57 -5.559 -9.254 -3.215 1.00 0.12 S ATOM 0 H CYS A 57 -6.081 -8.574 -5.788 1.00 11.42 H new ATOM 0 HA CYS A 57 -6.925 -6.631 -3.945 1.00 13.21 H new ATOM 0 HB2 CYS A 57 -4.116 -7.733 -4.374 1.00 1.14 H new ATOM 0 HB3 CYS A 57 -4.739 -7.026 -2.896 1.00 1.14 H new ATOM 0 HG CYS A 57 -4.521 -9.983 -2.929 1.00 0.12 H new ATOM 782 N THR A 58 -4.911 -5.544 -6.277 1.00 32.21 N ATOM 783 CA THR A 58 -4.279 -4.365 -6.888 1.00 61.10 C ATOM 784 C THR A 58 -5.310 -3.350 -7.418 1.00 21.13 C ATOM 785 O THR A 58 -4.960 -2.220 -7.759 1.00 42.34 O ATOM 786 CB THR A 58 -3.367 -4.791 -8.064 1.00 54.52 C ATOM 787 OG1 THR A 58 -4.126 -5.565 -9.005 1.00 73.02 O ATOM 788 CG2 THR A 58 -2.182 -5.613 -7.568 1.00 1.02 C ATOM 0 H THR A 58 -4.883 -6.377 -6.865 1.00 32.21 H new ATOM 0 HA THR A 58 -3.696 -3.887 -6.101 1.00 61.10 H new ATOM 0 HB THR A 58 -2.985 -3.891 -8.545 1.00 54.52 H new ATOM 0 HG1 THR A 58 -3.548 -5.833 -9.750 1.00 73.02 H new ATOM 0 HG21 THR A 58 -1.558 -5.899 -8.415 1.00 1.02 H new ATOM 0 HG22 THR A 58 -1.594 -5.019 -6.868 1.00 1.02 H new ATOM 0 HG23 THR A 58 -2.546 -6.510 -7.066 1.00 1.02 H new ATOM 796 N TRP A 59 -6.579 -3.757 -7.474 1.00 21.24 N ATOM 797 CA TRP A 59 -7.637 -2.947 -8.094 1.00 4.52 C ATOM 798 C TRP A 59 -8.096 -1.780 -7.195 1.00 61.14 C ATOM 799 O TRP A 59 -7.944 -0.609 -7.548 1.00 72.43 O ATOM 800 CB TRP A 59 -8.831 -3.854 -8.443 1.00 61.11 C ATOM 801 CG TRP A 59 -9.930 -3.161 -9.195 1.00 40.33 C ATOM 802 CD1 TRP A 59 -9.906 -2.763 -10.500 1.00 14.33 C ATOM 803 CD2 TRP A 59 -11.220 -2.796 -8.691 1.00 51.52 C ATOM 804 NE1 TRP A 59 -11.095 -2.167 -10.835 1.00 64.40 N ATOM 805 CE2 TRP A 59 -11.918 -2.176 -9.743 1.00 3.01 C ATOM 806 CE3 TRP A 59 -11.849 -2.934 -7.451 1.00 63.55 C ATOM 807 CZ2 TRP A 59 -13.213 -1.693 -9.593 1.00 64.31 C ATOM 808 CZ3 TRP A 59 -13.136 -2.454 -7.303 1.00 23.44 C ATOM 809 CH2 TRP A 59 -13.807 -1.841 -8.368 1.00 34.43 C ATOM 0 H TRP A 59 -6.904 -4.647 -7.096 1.00 21.24 H new ATOM 0 HA TRP A 59 -7.226 -2.500 -8.999 1.00 4.52 H new ATOM 0 HB2 TRP A 59 -8.473 -4.695 -9.038 1.00 61.11 H new ATOM 0 HB3 TRP A 59 -9.241 -4.267 -7.521 1.00 61.11 H new ATOM 0 HD1 TRP A 59 -9.071 -2.898 -11.172 1.00 14.33 H new ATOM 0 HE1 TRP A 59 -11.327 -1.780 -11.750 1.00 64.40 H new ATOM 0 HE3 TRP A 59 -11.339 -3.407 -6.625 1.00 63.55 H new ATOM 0 HZ2 TRP A 59 -13.732 -1.218 -10.413 1.00 64.31 H new ATOM 0 HZ3 TRP A 59 -13.633 -2.553 -6.349 1.00 23.44 H new ATOM 0 HH2 TRP A 59 -14.813 -1.478 -8.220 1.00 34.43 H new ATOM 820 N TYR A 60 -8.650 -2.104 -6.028 1.00 43.30 N ATOM 821 CA TYR A 60 -9.241 -1.088 -5.139 1.00 73.11 C ATOM 822 C TYR A 60 -8.206 -0.075 -4.614 1.00 31.51 C ATOM 823 O TYR A 60 -8.553 1.064 -4.290 1.00 22.11 O ATOM 824 CB TYR A 60 -9.957 -1.761 -3.955 1.00 24.00 C ATOM 825 CG TYR A 60 -9.072 -2.672 -3.115 1.00 3.12 C ATOM 826 CD1 TYR A 60 -8.349 -2.181 -2.030 1.00 24.10 C ATOM 827 CD2 TYR A 60 -8.969 -4.029 -3.406 1.00 3.15 C ATOM 828 CE1 TYR A 60 -7.554 -3.015 -1.265 1.00 64.25 C ATOM 829 CE2 TYR A 60 -8.178 -4.865 -2.645 1.00 53.21 C ATOM 830 CZ TYR A 60 -7.472 -4.357 -1.580 1.00 0.12 C ATOM 831 OH TYR A 60 -6.687 -5.194 -0.824 1.00 23.00 O ATOM 0 H TYR A 60 -8.705 -3.058 -5.671 1.00 43.30 H new ATOM 0 HA TYR A 60 -9.961 -0.532 -5.740 1.00 73.11 H new ATOM 0 HB2 TYR A 60 -10.374 -0.986 -3.311 1.00 24.00 H new ATOM 0 HB3 TYR A 60 -10.796 -2.343 -4.337 1.00 24.00 H new ATOM 0 HD1 TYR A 60 -8.410 -1.132 -1.782 1.00 24.10 H new ATOM 0 HD2 TYR A 60 -9.518 -4.435 -4.243 1.00 3.15 H new ATOM 0 HE1 TYR A 60 -7.001 -2.619 -0.426 1.00 64.25 H new ATOM 0 HE2 TYR A 60 -8.114 -5.916 -2.885 1.00 53.21 H new ATOM 0 HH TYR A 60 -5.745 -4.946 -0.932 1.00 23.00 H new ATOM 841 N VAL A 61 -6.946 -0.489 -4.532 1.00 42.34 N ATOM 842 CA VAL A 61 -5.880 0.373 -4.000 1.00 74.23 C ATOM 843 C VAL A 61 -5.710 1.659 -4.831 1.00 10.30 C ATOM 844 O VAL A 61 -5.372 2.718 -4.297 1.00 22.41 O ATOM 845 CB VAL A 61 -4.524 -0.381 -3.937 1.00 62.23 C ATOM 846 CG1 VAL A 61 -3.439 0.493 -3.305 1.00 1.45 C ATOM 847 CG2 VAL A 61 -4.679 -1.693 -3.173 1.00 40.04 C ATOM 0 H VAL A 61 -6.631 -1.414 -4.825 1.00 42.34 H new ATOM 0 HA VAL A 61 -6.183 0.651 -2.991 1.00 74.23 H new ATOM 0 HB VAL A 61 -4.214 -0.611 -4.956 1.00 62.23 H new ATOM 0 HG11 VAL A 61 -2.500 -0.059 -3.273 1.00 1.45 H new ATOM 0 HG12 VAL A 61 -3.308 1.397 -3.899 1.00 1.45 H new ATOM 0 HG13 VAL A 61 -3.735 0.764 -2.292 1.00 1.45 H new ATOM 0 HG21 VAL A 61 -3.720 -2.209 -3.138 1.00 40.04 H new ATOM 0 HG22 VAL A 61 -5.016 -1.485 -2.158 1.00 40.04 H new ATOM 0 HG23 VAL A 61 -5.412 -2.323 -3.677 1.00 40.04 H new ATOM 857 N TYR A 62 -5.969 1.566 -6.136 1.00 45.15 N ATOM 858 CA TYR A 62 -5.802 2.708 -7.045 1.00 1.02 C ATOM 859 C TYR A 62 -6.749 3.861 -6.673 1.00 64.12 C ATOM 860 O TYR A 62 -6.344 5.028 -6.637 1.00 44.00 O ATOM 861 CB TYR A 62 -6.041 2.267 -8.496 1.00 22.22 C ATOM 862 CG TYR A 62 -5.406 3.187 -9.521 1.00 63.23 C ATOM 863 CD1 TYR A 62 -4.038 3.432 -9.490 1.00 60.42 C ATOM 864 CD2 TYR A 62 -6.156 3.799 -10.522 1.00 42.04 C ATOM 865 CE1 TYR A 62 -3.438 4.256 -10.416 1.00 35.23 C ATOM 866 CE2 TYR A 62 -5.556 4.622 -11.459 1.00 3.22 C ATOM 867 CZ TYR A 62 -4.196 4.846 -11.400 1.00 72.44 C ATOM 868 OH TYR A 62 -3.584 5.656 -12.332 1.00 50.14 O ATOM 0 H TYR A 62 -6.295 0.713 -6.590 1.00 45.15 H new ATOM 0 HA TYR A 62 -4.779 3.072 -6.947 1.00 1.02 H new ATOM 0 HB2 TYR A 62 -5.647 1.260 -8.631 1.00 22.22 H new ATOM 0 HB3 TYR A 62 -7.114 2.217 -8.680 1.00 22.22 H new ATOM 0 HD1 TYR A 62 -3.434 2.967 -8.725 1.00 60.42 H new ATOM 0 HD2 TYR A 62 -7.222 3.629 -10.568 1.00 42.04 H new ATOM 0 HE1 TYR A 62 -2.375 4.438 -10.369 1.00 35.23 H new ATOM 0 HE2 TYR A 62 -6.149 5.087 -12.233 1.00 3.22 H new ATOM 0 HH TYR A 62 -3.276 6.479 -11.898 1.00 50.14 H new ATOM 878 N ASP A 63 -8.006 3.522 -6.392 1.00 71.52 N ATOM 879 CA ASP A 63 -9.004 4.497 -5.944 1.00 74.51 C ATOM 880 C ASP A 63 -8.612 5.082 -4.574 1.00 23.10 C ATOM 881 O ASP A 63 -8.728 6.286 -4.335 1.00 72.34 O ATOM 882 CB ASP A 63 -10.378 3.814 -5.865 1.00 33.44 C ATOM 883 CG ASP A 63 -11.515 4.784 -5.579 1.00 2.13 C ATOM 884 OD1 ASP A 63 -11.832 5.013 -4.391 1.00 22.35 O ATOM 885 OD2 ASP A 63 -12.116 5.306 -6.542 1.00 3.31 O ATOM 0 H ASP A 63 -8.362 2.569 -6.467 1.00 71.52 H new ATOM 0 HA ASP A 63 -9.050 5.319 -6.659 1.00 74.51 H new ATOM 0 HB2 ASP A 63 -10.576 3.300 -6.806 1.00 33.44 H new ATOM 0 HB3 ASP A 63 -10.354 3.053 -5.085 1.00 33.44 H new ATOM 890 N LYS A 64 -8.120 4.210 -3.692 1.00 70.14 N ATOM 891 CA LYS A 64 -7.687 4.609 -2.344 1.00 43.32 C ATOM 892 C LYS A 64 -6.517 5.613 -2.379 1.00 35.14 C ATOM 893 O LYS A 64 -6.402 6.475 -1.505 1.00 33.43 O ATOM 894 CB LYS A 64 -7.272 3.362 -1.547 1.00 14.14 C ATOM 895 CG LYS A 64 -8.397 2.348 -1.333 1.00 35.43 C ATOM 896 CD LYS A 64 -9.478 2.868 -0.386 1.00 31.02 C ATOM 897 CE LYS A 64 -8.920 3.161 1.005 1.00 21.31 C ATOM 898 NZ LYS A 64 -9.982 3.545 1.971 1.00 11.24 N ATOM 0 H LYS A 64 -8.009 3.215 -3.886 1.00 70.14 H new ATOM 0 HA LYS A 64 -8.530 5.104 -1.861 1.00 43.32 H new ATOM 0 HB2 LYS A 64 -6.450 2.870 -2.067 1.00 14.14 H new ATOM 0 HB3 LYS A 64 -6.892 3.676 -0.575 1.00 14.14 H new ATOM 0 HG2 LYS A 64 -8.848 2.102 -2.294 1.00 35.43 H new ATOM 0 HG3 LYS A 64 -7.979 1.425 -0.931 1.00 35.43 H new ATOM 0 HD2 LYS A 64 -9.918 3.775 -0.800 1.00 31.02 H new ATOM 0 HD3 LYS A 64 -10.278 2.132 -0.309 1.00 31.02 H new ATOM 0 HE2 LYS A 64 -8.396 2.280 1.376 1.00 21.31 H new ATOM 0 HE3 LYS A 64 -8.186 3.964 0.938 1.00 21.31 H new ATOM 0 HZ1 LYS A 64 -9.544 3.880 2.853 1.00 11.24 H new ATOM 0 HZ2 LYS A 64 -10.564 4.304 1.563 1.00 11.24 H new ATOM 0 HZ3 LYS A 64 -10.582 2.720 2.174 1.00 11.24 H new ATOM 912 N VAL A 65 -5.647 5.488 -3.381 1.00 22.11 N ATOM 913 CA VAL A 65 -4.469 6.364 -3.503 1.00 4.40 C ATOM 914 C VAL A 65 -4.726 7.549 -4.465 1.00 13.12 C ATOM 915 O VAL A 65 -3.817 8.316 -4.796 1.00 44.21 O ATOM 916 CB VAL A 65 -3.233 5.552 -3.977 1.00 50.24 C ATOM 917 CG1 VAL A 65 -3.375 5.133 -5.437 1.00 25.05 C ATOM 918 CG2 VAL A 65 -1.935 6.328 -3.751 1.00 72.22 C ATOM 0 H VAL A 65 -5.730 4.792 -4.122 1.00 22.11 H new ATOM 0 HA VAL A 65 -4.270 6.776 -2.514 1.00 4.40 H new ATOM 0 HB VAL A 65 -3.185 4.646 -3.373 1.00 50.24 H new ATOM 0 HG11 VAL A 65 -2.495 4.566 -5.740 1.00 25.05 H new ATOM 0 HG12 VAL A 65 -4.264 4.512 -5.553 1.00 25.05 H new ATOM 0 HG13 VAL A 65 -3.468 6.021 -6.063 1.00 25.05 H new ATOM 0 HG21 VAL A 65 -1.090 5.731 -4.094 1.00 72.22 H new ATOM 0 HG22 VAL A 65 -1.969 7.264 -4.309 1.00 72.22 H new ATOM 0 HG23 VAL A 65 -1.820 6.543 -2.689 1.00 72.22 H new ATOM 928 N GLY A 66 -5.968 7.694 -4.920 1.00 45.41 N ATOM 929 CA GLY A 66 -6.331 8.815 -5.790 1.00 41.00 C ATOM 930 C GLY A 66 -5.806 8.694 -7.223 1.00 1.44 C ATOM 931 O GLY A 66 -5.896 9.644 -8.003 1.00 33.33 O ATOM 0 H GLY A 66 -6.735 7.057 -4.705 1.00 45.41 H new ATOM 0 HA2 GLY A 66 -7.417 8.900 -5.819 1.00 41.00 H new ATOM 0 HA3 GLY A 66 -5.950 9.738 -5.352 1.00 41.00 H new ATOM 935 N GLY A 67 -5.247 7.534 -7.567 1.00 21.22 N ATOM 936 CA GLY A 67 -4.769 7.290 -8.931 1.00 34.25 C ATOM 937 C GLY A 67 -3.458 7.996 -9.295 1.00 13.01 C ATOM 938 O GLY A 67 -2.978 7.876 -10.425 1.00 12.32 O ATOM 0 H GLY A 67 -5.114 6.752 -6.926 1.00 21.22 H new ATOM 0 HA2 GLY A 67 -4.636 6.217 -9.066 1.00 34.25 H new ATOM 0 HA3 GLY A 67 -5.541 7.606 -9.632 1.00 34.25 H new ATOM 942 N ASN A 68 -2.850 8.700 -8.344 1.00 5.03 N ATOM 943 CA ASN A 68 -1.627 9.473 -8.619 1.00 42.50 C ATOM 944 C ASN A 68 -0.355 8.598 -8.613 1.00 73.51 C ATOM 945 O ASN A 68 0.760 9.112 -8.514 1.00 74.24 O ATOM 946 CB ASN A 68 -1.485 10.627 -7.612 1.00 74.42 C ATOM 947 CG ASN A 68 -2.508 11.732 -7.843 1.00 15.40 C ATOM 948 OD1 ASN A 68 -2.273 12.667 -8.605 1.00 1.53 O ATOM 949 ND2 ASN A 68 -3.642 11.644 -7.176 1.00 63.03 N ATOM 0 H ASN A 68 -3.176 8.756 -7.379 1.00 5.03 H new ATOM 0 HA ASN A 68 -1.729 9.879 -9.625 1.00 42.50 H new ATOM 0 HB2 ASN A 68 -1.598 10.238 -6.600 1.00 74.42 H new ATOM 0 HB3 ASN A 68 -0.481 11.045 -7.683 1.00 74.42 H new ATOM 0 HD21 ASN A 68 -4.355 12.365 -7.285 1.00 63.03 H new ATOM 0 HD22 ASN A 68 -3.806 10.855 -6.551 1.00 63.03 H new ATOM 956 N ILE A 69 -0.521 7.279 -8.732 1.00 23.20 N ATOM 957 CA ILE A 69 0.624 6.357 -8.816 1.00 4.44 C ATOM 958 C ILE A 69 0.818 5.810 -10.239 1.00 5.01 C ATOM 959 O ILE A 69 1.935 5.489 -10.644 1.00 54.25 O ATOM 960 CB ILE A 69 0.480 5.154 -7.849 1.00 42.00 C ATOM 961 CG1 ILE A 69 -0.844 4.411 -8.084 1.00 42.42 C ATOM 962 CG2 ILE A 69 0.596 5.608 -6.394 1.00 64.34 C ATOM 963 CD1 ILE A 69 -0.960 3.110 -7.317 1.00 1.10 C ATOM 0 H ILE A 69 -1.432 6.822 -8.773 1.00 23.20 H new ATOM 0 HA ILE A 69 1.494 6.948 -8.530 1.00 4.44 H new ATOM 0 HB ILE A 69 1.295 4.461 -8.055 1.00 42.00 H new ATOM 0 HG12 ILE A 69 -1.671 5.063 -7.802 1.00 42.42 H new ATOM 0 HG13 ILE A 69 -0.950 4.205 -9.149 1.00 42.42 H new ATOM 0 HG21 ILE A 69 0.492 4.746 -5.735 1.00 64.34 H new ATOM 0 HG22 ILE A 69 1.569 6.072 -6.234 1.00 64.34 H new ATOM 0 HG23 ILE A 69 -0.190 6.330 -6.174 1.00 64.34 H new ATOM 0 HD11 ILE A 69 -1.921 2.644 -7.534 1.00 1.10 H new ATOM 0 HD12 ILE A 69 -0.155 2.438 -7.616 1.00 1.10 H new ATOM 0 HD13 ILE A 69 -0.887 3.310 -6.248 1.00 1.10 H new ATOM 975 N GLY A 70 -0.275 5.706 -10.992 1.00 71.32 N ATOM 976 CA GLY A 70 -0.217 5.117 -12.323 1.00 14.24 C ATOM 977 C GLY A 70 -0.449 3.604 -12.315 1.00 61.00 C ATOM 978 O GLY A 70 0.464 2.826 -12.029 1.00 4.25 O ATOM 0 H GLY A 70 -1.202 6.019 -10.705 1.00 71.32 H new ATOM 0 HA2 GLY A 70 -0.966 5.591 -12.958 1.00 14.24 H new ATOM 0 HA3 GLY A 70 0.756 5.328 -12.766 1.00 14.24 H new ATOM 982 N SER A 71 -1.674 3.180 -12.620 1.00 52.30 N ATOM 983 CA SER A 71 -2.016 1.749 -12.622 1.00 13.45 C ATOM 984 C SER A 71 -1.401 1.026 -13.824 1.00 73.41 C ATOM 985 O SER A 71 -2.043 0.856 -14.855 1.00 20.15 O ATOM 986 CB SER A 71 -3.538 1.546 -12.625 1.00 75.34 C ATOM 987 OG SER A 71 -4.149 2.181 -13.736 1.00 30.52 O ATOM 0 H SER A 71 -2.446 3.799 -12.868 1.00 52.30 H new ATOM 0 HA SER A 71 -1.601 1.321 -11.709 1.00 13.45 H new ATOM 0 HB2 SER A 71 -3.763 0.480 -12.646 1.00 75.34 H new ATOM 0 HB3 SER A 71 -3.960 1.943 -11.702 1.00 75.34 H new ATOM 0 HG SER A 71 -3.650 1.965 -14.551 1.00 30.52 H new ATOM 993 N THR A 72 -0.142 0.624 -13.691 1.00 20.02 N ATOM 994 CA THR A 72 0.558 -0.096 -14.764 1.00 35.13 C ATOM 995 C THR A 72 1.692 -0.968 -14.204 1.00 64.24 C ATOM 996 O THR A 72 2.573 -1.416 -14.940 1.00 54.53 O ATOM 997 CB THR A 72 1.140 0.897 -15.806 1.00 4.20 C ATOM 998 OG1 THR A 72 1.722 0.188 -16.915 1.00 30.02 O ATOM 999 CG2 THR A 72 2.189 1.810 -15.173 1.00 54.10 C ATOM 0 H THR A 72 0.420 0.781 -12.854 1.00 20.02 H new ATOM 0 HA THR A 72 -0.173 -0.741 -15.250 1.00 35.13 H new ATOM 0 HB THR A 72 0.316 1.512 -16.168 1.00 4.20 H new ATOM 0 HG1 THR A 72 2.309 -0.520 -16.578 1.00 30.02 H new ATOM 0 HG21 THR A 72 2.578 2.494 -15.927 1.00 54.10 H new ATOM 0 HG22 THR A 72 1.733 2.382 -14.365 1.00 54.10 H new ATOM 0 HG23 THR A 72 3.005 1.206 -14.775 1.00 54.10 H new ATOM 1007 N TRP A 73 1.642 -1.236 -12.900 1.00 51.22 N ATOM 1008 CA TRP A 73 2.726 -1.946 -12.209 1.00 53.35 C ATOM 1009 C TRP A 73 2.527 -3.473 -12.226 1.00 74.30 C ATOM 1010 O TRP A 73 3.392 -4.224 -11.768 1.00 1.24 O ATOM 1011 CB TRP A 73 2.841 -1.441 -10.761 1.00 73.50 C ATOM 1012 CG TRP A 73 3.200 0.017 -10.652 1.00 32.04 C ATOM 1013 CD1 TRP A 73 3.637 0.838 -11.656 1.00 72.14 C ATOM 1014 CD2 TRP A 73 3.163 0.822 -9.467 1.00 10.31 C ATOM 1015 NE1 TRP A 73 3.868 2.099 -11.165 1.00 1.33 N ATOM 1016 CE2 TRP A 73 3.584 2.114 -9.827 1.00 55.05 C ATOM 1017 CE3 TRP A 73 2.812 0.575 -8.136 1.00 14.51 C ATOM 1018 CZ2 TRP A 73 3.665 3.156 -8.907 1.00 4.21 C ATOM 1019 CZ3 TRP A 73 2.892 1.611 -7.223 1.00 13.41 C ATOM 1020 CH2 TRP A 73 3.314 2.886 -7.612 1.00 22.34 C ATOM 0 H TRP A 73 0.863 -0.973 -12.297 1.00 51.22 H new ATOM 0 HA TRP A 73 3.651 -1.736 -12.746 1.00 53.35 H new ATOM 0 HB2 TRP A 73 1.893 -1.611 -10.251 1.00 73.50 H new ATOM 0 HB3 TRP A 73 3.594 -2.031 -10.239 1.00 73.50 H new ATOM 0 HD1 TRP A 73 3.779 0.538 -12.684 1.00 72.14 H new ATOM 0 HE1 TRP A 73 4.198 2.896 -11.710 1.00 1.33 H new ATOM 0 HE3 TRP A 73 2.485 -0.407 -7.827 1.00 14.51 H new ATOM 0 HZ2 TRP A 73 3.993 4.141 -9.204 1.00 4.21 H new ATOM 0 HZ3 TRP A 73 2.624 1.432 -6.192 1.00 13.41 H new ATOM 0 HH2 TRP A 73 3.364 3.674 -6.875 1.00 22.34 H new ATOM 1031 N GLY A 74 1.398 -3.929 -12.767 1.00 64.11 N ATOM 1032 CA GLY A 74 1.122 -5.361 -12.839 1.00 22.41 C ATOM 1033 C GLY A 74 0.731 -5.970 -11.494 1.00 5.42 C ATOM 1034 O GLY A 74 -0.050 -5.382 -10.737 1.00 43.22 O ATOM 0 H GLY A 74 0.667 -3.334 -13.158 1.00 64.11 H new ATOM 0 HA2 GLY A 74 0.319 -5.533 -13.555 1.00 22.41 H new ATOM 0 HA3 GLY A 74 2.004 -5.875 -13.220 1.00 22.41 H new ATOM 1038 N ASN A 75 1.264 -7.157 -11.194 1.00 73.22 N ATOM 1039 CA ASN A 75 0.966 -7.847 -9.932 1.00 33.41 C ATOM 1040 C ASN A 75 1.607 -7.131 -8.731 1.00 71.43 C ATOM 1041 O ASN A 75 2.616 -6.438 -8.871 1.00 53.42 O ATOM 1042 CB ASN A 75 1.435 -9.306 -9.986 1.00 64.15 C ATOM 1043 CG ASN A 75 0.750 -10.091 -11.088 1.00 12.23 C ATOM 1044 OD1 ASN A 75 1.265 -10.210 -12.196 1.00 31.42 O ATOM 1045 ND2 ASN A 75 -0.425 -10.620 -10.805 1.00 4.45 N ATOM 0 H ASN A 75 1.904 -7.662 -11.806 1.00 73.22 H new ATOM 0 HA ASN A 75 -0.116 -7.828 -9.799 1.00 33.41 H new ATOM 0 HB2 ASN A 75 2.514 -9.333 -10.141 1.00 64.15 H new ATOM 0 HB3 ASN A 75 1.238 -9.784 -9.026 1.00 64.15 H new ATOM 0 HD21 ASN A 75 -0.932 -11.146 -11.517 1.00 4.45 H new ATOM 0 HD22 ASN A 75 -0.826 -10.503 -9.874 1.00 4.45 H new ATOM 1052 N ALA A 76 1.029 -7.327 -7.548 1.00 24.24 N ATOM 1053 CA ALA A 76 1.457 -6.613 -6.337 1.00 13.32 C ATOM 1054 C ALA A 76 2.951 -6.816 -6.020 1.00 14.15 C ATOM 1055 O ALA A 76 3.601 -5.917 -5.486 1.00 13.33 O ATOM 1056 CB ALA A 76 0.593 -7.035 -5.161 1.00 60.14 C ATOM 0 H ALA A 76 0.258 -7.978 -7.397 1.00 24.24 H new ATOM 0 HA ALA A 76 1.326 -5.547 -6.523 1.00 13.32 H new ATOM 0 HB1 ALA A 76 0.913 -6.504 -4.265 1.00 60.14 H new ATOM 0 HB2 ALA A 76 -0.450 -6.796 -5.371 1.00 60.14 H new ATOM 0 HB3 ALA A 76 0.694 -8.109 -5.002 1.00 60.14 H new ATOM 1062 N ASN A 77 3.496 -7.987 -6.356 1.00 2.43 N ATOM 1063 CA ASN A 77 4.930 -8.265 -6.149 1.00 74.02 C ATOM 1064 C ASN A 77 5.835 -7.223 -6.840 1.00 61.35 C ATOM 1065 O ASN A 77 6.947 -6.950 -6.380 1.00 23.40 O ATOM 1066 CB ASN A 77 5.293 -9.666 -6.663 1.00 75.32 C ATOM 1067 CG ASN A 77 4.793 -10.776 -5.763 1.00 31.22 C ATOM 1068 OD1 ASN A 77 4.631 -10.593 -4.570 1.00 4.12 O ATOM 1069 ND2 ASN A 77 4.558 -11.943 -6.326 1.00 31.02 N ATOM 0 H ASN A 77 2.974 -8.759 -6.771 1.00 2.43 H new ATOM 0 HA ASN A 77 5.104 -8.208 -5.074 1.00 74.02 H new ATOM 0 HB2 ASN A 77 4.876 -9.800 -7.661 1.00 75.32 H new ATOM 0 HB3 ASN A 77 6.376 -9.743 -6.757 1.00 75.32 H new ATOM 0 HD21 ASN A 77 4.230 -12.726 -5.760 1.00 31.02 H new ATOM 0 HD22 ASN A 77 4.703 -12.064 -7.328 1.00 31.02 H new ATOM 1076 N ASN A 78 5.353 -6.632 -7.930 1.00 73.24 N ATOM 1077 CA ASN A 78 6.155 -5.691 -8.728 1.00 13.44 C ATOM 1078 C ASN A 78 5.934 -4.224 -8.300 1.00 44.21 C ATOM 1079 O ASN A 78 6.745 -3.353 -8.614 1.00 4.23 O ATOM 1080 CB ASN A 78 5.817 -5.874 -10.217 1.00 60.31 C ATOM 1081 CG ASN A 78 6.647 -4.989 -11.133 1.00 32.21 C ATOM 1082 OD1 ASN A 78 7.752 -5.343 -11.526 1.00 14.21 O ATOM 1083 ND2 ASN A 78 6.115 -3.842 -11.498 1.00 32.33 N ATOM 0 H ASN A 78 4.410 -6.784 -8.287 1.00 73.24 H new ATOM 0 HA ASN A 78 7.208 -5.913 -8.555 1.00 13.44 H new ATOM 0 HB2 ASN A 78 5.972 -6.917 -10.492 1.00 60.31 H new ATOM 0 HB3 ASN A 78 4.760 -5.657 -10.372 1.00 60.31 H new ATOM 0 HD21 ASN A 78 6.625 -3.220 -12.125 1.00 32.33 H new ATOM 0 HD22 ASN A 78 5.193 -3.575 -11.154 1.00 32.33 H new ATOM 1090 N TRP A 79 4.856 -3.968 -7.558 1.00 73.21 N ATOM 1091 CA TRP A 79 4.451 -2.596 -7.189 1.00 43.31 C ATOM 1092 C TRP A 79 5.590 -1.747 -6.586 1.00 2.02 C ATOM 1093 O TRP A 79 6.013 -0.761 -7.194 1.00 63.40 O ATOM 1094 CB TRP A 79 3.250 -2.638 -6.229 1.00 0.44 C ATOM 1095 CG TRP A 79 1.928 -2.728 -6.940 1.00 54.22 C ATOM 1096 CD1 TRP A 79 1.612 -3.534 -7.999 1.00 10.14 C ATOM 1097 CD2 TRP A 79 0.749 -1.972 -6.648 1.00 71.13 C ATOM 1098 NE1 TRP A 79 0.310 -3.324 -8.381 1.00 42.31 N ATOM 1099 CE2 TRP A 79 -0.242 -2.369 -7.563 1.00 73.34 C ATOM 1100 CE3 TRP A 79 0.436 -0.996 -5.696 1.00 12.14 C ATOM 1101 CZ2 TRP A 79 -1.524 -1.822 -7.554 1.00 54.23 C ATOM 1102 CZ3 TRP A 79 -0.836 -0.456 -5.689 1.00 13.14 C ATOM 1103 CH2 TRP A 79 -1.802 -0.871 -6.612 1.00 51.21 C ATOM 0 H TRP A 79 4.238 -4.694 -7.195 1.00 73.21 H new ATOM 0 HA TRP A 79 4.170 -2.103 -8.119 1.00 43.31 H new ATOM 0 HB2 TRP A 79 3.356 -3.494 -5.562 1.00 0.44 H new ATOM 0 HB3 TRP A 79 3.260 -1.744 -5.605 1.00 0.44 H new ATOM 0 HD1 TRP A 79 2.288 -4.234 -8.467 1.00 10.14 H new ATOM 0 HE1 TRP A 79 -0.168 -3.799 -9.146 1.00 42.31 H new ATOM 0 HE3 TRP A 79 1.175 -0.670 -4.979 1.00 12.14 H new ATOM 0 HZ2 TRP A 79 -2.272 -2.138 -8.266 1.00 54.23 H new ATOM 0 HZ3 TRP A 79 -1.089 0.299 -4.959 1.00 13.14 H new ATOM 0 HH2 TRP A 79 -2.788 -0.431 -6.580 1.00 51.21 H new ATOM 1114 N ALA A 80 6.086 -2.117 -5.404 1.00 13.14 N ATOM 1115 CA ALA A 80 7.118 -1.316 -4.721 1.00 1.03 C ATOM 1116 C ALA A 80 8.377 -1.127 -5.585 1.00 52.40 C ATOM 1117 O ALA A 80 9.030 -0.081 -5.530 1.00 14.32 O ATOM 1118 CB ALA A 80 7.485 -1.944 -3.384 1.00 2.34 C ATOM 0 H ALA A 80 5.798 -2.955 -4.900 1.00 13.14 H new ATOM 0 HA ALA A 80 6.692 -0.328 -4.547 1.00 1.03 H new ATOM 0 HB1 ALA A 80 8.248 -1.339 -2.895 1.00 2.34 H new ATOM 0 HB2 ALA A 80 6.600 -1.994 -2.750 1.00 2.34 H new ATOM 0 HB3 ALA A 80 7.870 -2.950 -3.548 1.00 2.34 H new ATOM 1124 N SER A 81 8.706 -2.138 -6.388 1.00 24.30 N ATOM 1125 CA SER A 81 9.861 -2.064 -7.295 1.00 20.03 C ATOM 1126 C SER A 81 9.622 -1.023 -8.401 1.00 61.44 C ATOM 1127 O SER A 81 10.469 -0.165 -8.661 1.00 35.34 O ATOM 1128 CB SER A 81 10.143 -3.440 -7.918 1.00 74.11 C ATOM 1129 OG SER A 81 11.328 -3.424 -8.696 1.00 61.13 O ATOM 0 H SER A 81 8.193 -3.018 -6.432 1.00 24.30 H new ATOM 0 HA SER A 81 10.729 -1.756 -6.713 1.00 20.03 H new ATOM 0 HB2 SER A 81 10.234 -4.186 -7.129 1.00 74.11 H new ATOM 0 HB3 SER A 81 9.300 -3.738 -8.542 1.00 74.11 H new ATOM 0 HG SER A 81 11.481 -4.314 -9.077 1.00 61.13 H new ATOM 1135 N ALA A 82 8.448 -1.090 -9.029 1.00 61.33 N ATOM 1136 CA ALA A 82 8.062 -0.133 -10.070 1.00 2.24 C ATOM 1137 C ALA A 82 7.979 1.299 -9.512 1.00 70.51 C ATOM 1138 O ALA A 82 8.404 2.256 -10.165 1.00 13.34 O ATOM 1139 CB ALA A 82 6.734 -0.545 -10.692 1.00 2.12 C ATOM 0 H ALA A 82 7.743 -1.801 -8.834 1.00 61.33 H new ATOM 0 HA ALA A 82 8.832 -0.141 -10.842 1.00 2.24 H new ATOM 0 HB1 ALA A 82 6.456 0.172 -11.464 1.00 2.12 H new ATOM 0 HB2 ALA A 82 6.832 -1.536 -11.135 1.00 2.12 H new ATOM 0 HB3 ALA A 82 5.963 -0.567 -9.922 1.00 2.12 H new ATOM 1145 N ALA A 83 7.435 1.431 -8.298 1.00 73.33 N ATOM 1146 CA ALA A 83 7.383 2.717 -7.589 1.00 43.13 C ATOM 1147 C ALA A 83 8.777 3.350 -7.490 1.00 34.43 C ATOM 1148 O ALA A 83 8.983 4.493 -7.903 1.00 24.43 O ATOM 1149 CB ALA A 83 6.781 2.519 -6.201 1.00 25.21 C ATOM 0 H ALA A 83 7.020 0.656 -7.781 1.00 73.33 H new ATOM 0 HA ALA A 83 6.750 3.400 -8.156 1.00 43.13 H new ATOM 0 HB1 ALA A 83 6.745 3.476 -5.680 1.00 25.21 H new ATOM 0 HB2 ALA A 83 5.771 2.119 -6.296 1.00 25.21 H new ATOM 0 HB3 ALA A 83 7.396 1.820 -5.634 1.00 25.21 H new ATOM 1155 N SER A 84 9.739 2.592 -6.959 1.00 41.31 N ATOM 1156 CA SER A 84 11.128 3.066 -6.859 1.00 43.54 C ATOM 1157 C SER A 84 11.709 3.362 -8.251 1.00 2.25 C ATOM 1158 O SER A 84 12.412 4.359 -8.446 1.00 30.22 O ATOM 1159 CB SER A 84 12.003 2.031 -6.136 1.00 62.54 C ATOM 1160 OG SER A 84 13.346 2.483 -6.017 1.00 33.12 O ATOM 0 H SER A 84 9.587 1.652 -6.593 1.00 41.31 H new ATOM 0 HA SER A 84 11.124 3.990 -6.281 1.00 43.54 H new ATOM 0 HB2 SER A 84 11.594 1.835 -5.145 1.00 62.54 H new ATOM 0 HB3 SER A 84 11.981 1.088 -6.682 1.00 62.54 H new ATOM 0 HG SER A 84 13.879 1.805 -5.552 1.00 33.12 H new ATOM 1166 N SER A 85 11.390 2.503 -9.219 1.00 13.01 N ATOM 1167 CA SER A 85 11.836 2.692 -10.611 1.00 44.43 C ATOM 1168 C SER A 85 11.244 3.973 -11.220 1.00 62.24 C ATOM 1169 O SER A 85 11.833 4.569 -12.119 1.00 52.41 O ATOM 1170 CB SER A 85 11.442 1.481 -11.474 1.00 44.45 C ATOM 1171 OG SER A 85 11.945 1.588 -12.805 1.00 2.33 O ATOM 0 H SER A 85 10.824 1.667 -9.071 1.00 13.01 H new ATOM 0 HA SER A 85 12.922 2.786 -10.596 1.00 44.43 H new ATOM 0 HB2 SER A 85 11.823 0.569 -11.015 1.00 44.45 H new ATOM 0 HB3 SER A 85 10.356 1.394 -11.503 1.00 44.45 H new ATOM 0 HG SER A 85 11.675 0.800 -13.321 1.00 2.33 H new ATOM 1177 N ALA A 86 10.075 4.385 -10.729 1.00 63.33 N ATOM 1178 CA ALA A 86 9.414 5.609 -11.202 1.00 52.43 C ATOM 1179 C ALA A 86 9.856 6.848 -10.399 1.00 21.13 C ATOM 1180 O ALA A 86 9.581 7.983 -10.785 1.00 33.40 O ATOM 1181 CB ALA A 86 7.900 5.441 -11.133 1.00 43.14 C ATOM 0 H ALA A 86 9.562 3.889 -10.001 1.00 63.33 H new ATOM 0 HA ALA A 86 9.713 5.771 -12.238 1.00 52.43 H new ATOM 0 HB1 ALA A 86 7.416 6.352 -11.485 1.00 43.14 H new ATOM 0 HB2 ALA A 86 7.598 4.604 -11.762 1.00 43.14 H new ATOM 0 HB3 ALA A 86 7.602 5.247 -10.103 1.00 43.14 H new ATOM 1187 N GLY A 87 10.538 6.619 -9.278 1.00 44.02 N ATOM 1188 CA GLY A 87 11.021 7.722 -8.443 1.00 72.32 C ATOM 1189 C GLY A 87 10.140 8.002 -7.225 1.00 53.25 C ATOM 1190 O GLY A 87 10.349 8.987 -6.510 1.00 12.24 O ATOM 0 H GLY A 87 10.768 5.689 -8.928 1.00 44.02 H new ATOM 0 HA2 GLY A 87 12.032 7.494 -8.105 1.00 72.32 H new ATOM 0 HA3 GLY A 87 11.084 8.625 -9.050 1.00 72.32 H new ATOM 1194 N TYR A 88 9.155 7.139 -6.982 1.00 21.14 N ATOM 1195 CA TYR A 88 8.264 7.288 -5.823 1.00 73.20 C ATOM 1196 C TYR A 88 8.986 6.992 -4.500 1.00 64.44 C ATOM 1197 O TYR A 88 10.146 6.578 -4.482 1.00 43.12 O ATOM 1198 CB TYR A 88 7.028 6.384 -5.967 1.00 5.31 C ATOM 1199 CG TYR A 88 6.014 6.901 -6.969 1.00 32.01 C ATOM 1200 CD1 TYR A 88 6.346 7.051 -8.309 1.00 15.23 C ATOM 1201 CD2 TYR A 88 4.727 7.257 -6.571 1.00 63.23 C ATOM 1202 CE1 TYR A 88 5.431 7.533 -9.221 1.00 2.44 C ATOM 1203 CE2 TYR A 88 3.804 7.741 -7.481 1.00 21.44 C ATOM 1204 CZ TYR A 88 4.161 7.878 -8.804 1.00 74.03 C ATOM 1205 OH TYR A 88 3.250 8.369 -9.716 1.00 74.22 O ATOM 0 H TYR A 88 8.951 6.330 -7.568 1.00 21.14 H new ATOM 0 HA TYR A 88 7.942 8.329 -5.798 1.00 73.20 H new ATOM 0 HB2 TYR A 88 7.350 5.387 -6.269 1.00 5.31 H new ATOM 0 HB3 TYR A 88 6.547 6.282 -4.994 1.00 5.31 H new ATOM 0 HD1 TYR A 88 7.338 6.785 -8.643 1.00 15.23 H new ATOM 0 HD2 TYR A 88 4.445 7.153 -5.534 1.00 63.23 H new ATOM 0 HE1 TYR A 88 5.707 7.640 -10.260 1.00 2.44 H new ATOM 0 HE2 TYR A 88 2.810 8.010 -7.156 1.00 21.44 H new ATOM 0 HH TYR A 88 2.466 8.716 -9.241 1.00 74.22 H new ATOM 1215 N THR A 89 8.281 7.192 -3.394 1.00 3.43 N ATOM 1216 CA THR A 89 8.881 7.093 -2.057 1.00 34.21 C ATOM 1217 C THR A 89 8.550 5.752 -1.390 1.00 31.44 C ATOM 1218 O THR A 89 7.519 5.608 -0.737 1.00 10.12 O ATOM 1219 CB THR A 89 8.407 8.253 -1.142 1.00 41.35 C ATOM 1220 OG1 THR A 89 8.736 9.520 -1.740 1.00 22.53 O ATOM 1221 CG2 THR A 89 9.041 8.166 0.242 1.00 64.20 C ATOM 0 H THR A 89 7.288 7.425 -3.390 1.00 3.43 H new ATOM 0 HA THR A 89 9.961 7.162 -2.190 1.00 34.21 H new ATOM 0 HB THR A 89 7.326 8.167 -1.031 1.00 41.35 H new ATOM 0 HG1 THR A 89 8.432 10.246 -1.156 1.00 22.53 H new ATOM 0 HG21 THR A 89 8.687 8.994 0.857 1.00 64.20 H new ATOM 0 HG22 THR A 89 8.764 7.222 0.710 1.00 64.20 H new ATOM 0 HG23 THR A 89 10.126 8.221 0.149 1.00 64.20 H new ATOM 1229 N VAL A 90 9.423 4.765 -1.572 1.00 3.24 N ATOM 1230 CA VAL A 90 9.210 3.433 -0.996 1.00 43.11 C ATOM 1231 C VAL A 90 10.031 3.251 0.292 1.00 62.30 C ATOM 1232 O VAL A 90 11.206 2.884 0.247 1.00 71.12 O ATOM 1233 CB VAL A 90 9.580 2.315 -2.005 1.00 42.45 C ATOM 1234 CG1 VAL A 90 9.180 0.939 -1.468 1.00 15.51 C ATOM 1235 CG2 VAL A 90 8.933 2.580 -3.364 1.00 2.04 C ATOM 0 H VAL A 90 10.284 4.858 -2.112 1.00 3.24 H new ATOM 0 HA VAL A 90 8.149 3.353 -0.758 1.00 43.11 H new ATOM 0 HB VAL A 90 10.662 2.321 -2.137 1.00 42.45 H new ATOM 0 HG11 VAL A 90 9.450 0.172 -2.194 1.00 15.51 H new ATOM 0 HG12 VAL A 90 9.701 0.749 -0.529 1.00 15.51 H new ATOM 0 HG13 VAL A 90 8.104 0.914 -1.297 1.00 15.51 H new ATOM 0 HG21 VAL A 90 9.205 1.784 -4.058 1.00 2.04 H new ATOM 0 HG22 VAL A 90 7.849 2.609 -3.252 1.00 2.04 H new ATOM 0 HG23 VAL A 90 9.283 3.536 -3.753 1.00 2.04 H new ATOM 1245 N ASN A 91 9.414 3.535 1.435 1.00 71.50 N ATOM 1246 CA ASN A 91 10.088 3.417 2.739 1.00 61.03 C ATOM 1247 C ASN A 91 9.319 2.455 3.658 1.00 12.21 C ATOM 1248 O ASN A 91 8.186 2.084 3.364 1.00 14.41 O ATOM 1249 CB ASN A 91 10.196 4.794 3.418 1.00 4.44 C ATOM 1250 CG ASN A 91 10.948 5.819 2.582 1.00 42.30 C ATOM 1251 OD1 ASN A 91 11.802 5.483 1.769 1.00 32.30 O ATOM 1252 ND2 ASN A 91 10.654 7.086 2.790 1.00 71.22 N ATOM 0 H ASN A 91 8.446 3.850 1.492 1.00 71.50 H new ATOM 0 HA ASN A 91 11.090 3.024 2.566 1.00 61.03 H new ATOM 0 HB2 ASN A 91 9.194 5.169 3.625 1.00 4.44 H new ATOM 0 HB3 ASN A 91 10.698 4.680 4.379 1.00 4.44 H new ATOM 0 HD21 ASN A 91 11.141 7.815 2.269 1.00 71.22 H new ATOM 0 HD22 ASN A 91 9.939 7.338 3.472 1.00 71.22 H new ATOM 1259 N ASN A 92 9.922 2.057 4.775 1.00 41.31 N ATOM 1260 CA ASN A 92 9.220 1.214 5.754 1.00 75.10 C ATOM 1261 C ASN A 92 8.405 2.055 6.750 1.00 71.21 C ATOM 1262 O ASN A 92 7.841 1.522 7.704 1.00 30.53 O ATOM 1263 CB ASN A 92 10.198 0.305 6.506 1.00 34.11 C ATOM 1264 CG ASN A 92 10.764 -0.789 5.621 1.00 12.43 C ATOM 1265 OD1 ASN A 92 11.868 -0.679 5.093 1.00 43.01 O ATOM 1266 ND2 ASN A 92 10.001 -1.849 5.431 1.00 54.03 N ATOM 0 H ASN A 92 10.881 2.297 5.028 1.00 41.31 H new ATOM 0 HA ASN A 92 8.525 0.589 5.193 1.00 75.10 H new ATOM 0 HB2 ASN A 92 11.015 0.906 6.905 1.00 34.11 H new ATOM 0 HB3 ASN A 92 9.689 -0.147 7.358 1.00 34.11 H new ATOM 0 HD21 ASN A 92 10.323 -2.608 4.831 1.00 54.03 H new ATOM 0 HD22 ASN A 92 9.089 -1.909 5.884 1.00 54.03 H new ATOM 1273 N SER A 93 8.348 3.367 6.521 1.00 65.10 N ATOM 1274 CA SER A 93 7.521 4.268 7.337 1.00 13.32 C ATOM 1275 C SER A 93 6.026 3.949 7.160 1.00 62.03 C ATOM 1276 O SER A 93 5.448 4.225 6.106 1.00 31.52 O ATOM 1277 CB SER A 93 7.782 5.729 6.947 1.00 21.21 C ATOM 1278 OG SER A 93 9.153 6.060 7.089 1.00 52.22 O ATOM 0 H SER A 93 8.865 3.834 5.776 1.00 65.10 H new ATOM 0 HA SER A 93 7.791 4.119 8.382 1.00 13.32 H new ATOM 0 HB2 SER A 93 7.470 5.894 5.916 1.00 21.21 H new ATOM 0 HB3 SER A 93 7.179 6.388 7.572 1.00 21.21 H new ATOM 0 HG SER A 93 9.292 6.996 6.832 1.00 52.22 H new ATOM 1284 N PRO A 94 5.373 3.376 8.192 1.00 15.04 N ATOM 1285 CA PRO A 94 3.974 2.913 8.109 1.00 74.42 C ATOM 1286 C PRO A 94 2.934 4.040 8.236 1.00 72.34 C ATOM 1287 O PRO A 94 1.739 3.772 8.331 1.00 43.54 O ATOM 1288 CB PRO A 94 3.845 1.934 9.300 1.00 62.42 C ATOM 1289 CG PRO A 94 5.202 1.867 9.938 1.00 23.25 C ATOM 1290 CD PRO A 94 5.930 3.117 9.524 1.00 63.15 C ATOM 0 HA PRO A 94 3.772 2.470 7.134 1.00 74.42 H new ATOM 0 HB2 PRO A 94 3.097 2.284 10.012 1.00 62.42 H new ATOM 0 HB3 PRO A 94 3.526 0.949 8.961 1.00 62.42 H new ATOM 0 HG2 PRO A 94 5.118 1.808 11.023 1.00 23.25 H new ATOM 0 HG3 PRO A 94 5.741 0.978 9.611 1.00 23.25 H new ATOM 0 HD2 PRO A 94 5.743 3.943 10.211 1.00 63.15 H new ATOM 0 HD3 PRO A 94 7.009 2.967 9.492 1.00 63.15 H new ATOM 1298 N GLU A 95 3.393 5.293 8.220 1.00 72.01 N ATOM 1299 CA GLU A 95 2.515 6.456 8.436 1.00 35.33 C ATOM 1300 C GLU A 95 1.307 6.465 7.476 1.00 75.12 C ATOM 1301 O GLU A 95 1.414 6.055 6.317 1.00 70.14 O ATOM 1302 CB GLU A 95 3.322 7.758 8.294 1.00 12.12 C ATOM 1303 CG GLU A 95 2.541 9.022 8.660 1.00 62.42 C ATOM 1304 CD GLU A 95 1.971 8.974 10.071 1.00 13.44 C ATOM 1305 OE1 GLU A 95 2.746 9.113 11.040 1.00 43.35 O ATOM 1306 OE2 GLU A 95 0.740 8.798 10.219 1.00 20.22 O ATOM 0 H GLU A 95 4.371 5.534 8.059 1.00 72.01 H new ATOM 0 HA GLU A 95 2.118 6.382 9.448 1.00 35.33 H new ATOM 0 HB2 GLU A 95 4.207 7.695 8.927 1.00 12.12 H new ATOM 0 HB3 GLU A 95 3.672 7.845 7.265 1.00 12.12 H new ATOM 0 HG2 GLU A 95 3.196 9.888 8.567 1.00 62.42 H new ATOM 0 HG3 GLU A 95 1.727 9.160 7.948 1.00 62.42 H new ATOM 1313 N ALA A 96 0.166 6.950 7.978 1.00 22.11 N ATOM 1314 CA ALA A 96 -1.098 6.944 7.228 1.00 54.15 C ATOM 1315 C ALA A 96 -0.993 7.690 5.888 1.00 25.43 C ATOM 1316 O ALA A 96 -0.353 8.741 5.790 1.00 23.23 O ATOM 1317 CB ALA A 96 -2.211 7.540 8.082 1.00 13.34 C ATOM 0 H ALA A 96 0.091 7.356 8.911 1.00 22.11 H new ATOM 0 HA ALA A 96 -1.332 5.906 6.993 1.00 54.15 H new ATOM 0 HB1 ALA A 96 -3.145 7.532 7.520 1.00 13.34 H new ATOM 0 HB2 ALA A 96 -2.329 6.949 8.990 1.00 13.34 H new ATOM 0 HB3 ALA A 96 -1.956 8.566 8.348 1.00 13.34 H new ATOM 1323 N GLY A 97 -1.652 7.152 4.864 1.00 60.34 N ATOM 1324 CA GLY A 97 -1.524 7.698 3.519 1.00 12.33 C ATOM 1325 C GLY A 97 -0.418 7.005 2.729 1.00 70.42 C ATOM 1326 O GLY A 97 0.503 7.649 2.221 1.00 45.42 O ATOM 0 H GLY A 97 -2.273 6.347 4.940 1.00 60.34 H new ATOM 0 HA2 GLY A 97 -2.471 7.589 2.991 1.00 12.33 H new ATOM 0 HA3 GLY A 97 -1.314 8.766 3.579 1.00 12.33 H new ATOM 1330 N SER A 98 -0.512 5.679 2.628 1.00 5.44 N ATOM 1331 CA SER A 98 0.533 4.872 1.986 1.00 50.51 C ATOM 1332 C SER A 98 0.029 3.473 1.621 1.00 23.15 C ATOM 1333 O SER A 98 -1.013 3.024 2.098 1.00 12.33 O ATOM 1334 CB SER A 98 1.748 4.745 2.916 1.00 3.52 C ATOM 1335 OG SER A 98 2.782 3.969 2.328 1.00 10.33 O ATOM 0 H SER A 98 -1.301 5.138 2.982 1.00 5.44 H new ATOM 0 HA SER A 98 0.818 5.383 1.066 1.00 50.51 H new ATOM 0 HB2 SER A 98 2.129 5.738 3.154 1.00 3.52 H new ATOM 0 HB3 SER A 98 1.440 4.288 3.856 1.00 3.52 H new ATOM 0 HG SER A 98 2.905 4.241 1.395 1.00 10.33 H new ATOM 1341 N ILE A 99 0.794 2.788 0.777 1.00 32.23 N ATOM 1342 CA ILE A 99 0.460 1.431 0.327 1.00 23.53 C ATOM 1343 C ILE A 99 1.526 0.433 0.795 1.00 34.03 C ATOM 1344 O ILE A 99 2.709 0.624 0.525 1.00 54.30 O ATOM 1345 CB ILE A 99 0.369 1.381 -1.220 1.00 21.41 C ATOM 1346 CG1 ILE A 99 -0.576 2.480 -1.728 1.00 65.40 C ATOM 1347 CG2 ILE A 99 -0.096 0.002 -1.691 1.00 12.14 C ATOM 1348 CD1 ILE A 99 -0.438 2.770 -3.207 1.00 5.31 C ATOM 0 H ILE A 99 1.662 3.152 0.384 1.00 32.23 H new ATOM 0 HA ILE A 99 -0.504 1.162 0.758 1.00 23.53 H new ATOM 0 HB ILE A 99 1.362 1.558 -1.634 1.00 21.41 H new ATOM 0 HG12 ILE A 99 -1.605 2.186 -1.520 1.00 65.40 H new ATOM 0 HG13 ILE A 99 -0.386 3.396 -1.169 1.00 65.40 H new ATOM 0 HG21 ILE A 99 -0.153 -0.011 -2.779 1.00 12.14 H new ATOM 0 HG22 ILE A 99 0.613 -0.755 -1.356 1.00 12.14 H new ATOM 0 HG23 ILE A 99 -1.080 -0.212 -1.274 1.00 12.14 H new ATOM 0 HD11 ILE A 99 -1.137 3.557 -3.490 1.00 5.31 H new ATOM 0 HD12 ILE A 99 0.580 3.096 -3.420 1.00 5.31 H new ATOM 0 HD13 ILE A 99 -0.657 1.867 -3.777 1.00 5.31 H new ATOM 1360 N LEU A 100 1.120 -0.625 1.494 1.00 53.23 N ATOM 1361 CA LEU A 100 2.084 -1.625 1.988 1.00 0.12 C ATOM 1362 C LEU A 100 2.127 -2.863 1.074 1.00 2.51 C ATOM 1363 O LEU A 100 1.088 -3.398 0.683 1.00 65.25 O ATOM 1364 CB LEU A 100 1.778 -2.035 3.445 1.00 5.24 C ATOM 1365 CG LEU A 100 0.621 -3.030 3.675 1.00 53.41 C ATOM 1366 CD1 LEU A 100 0.498 -3.366 5.161 1.00 65.20 C ATOM 1367 CD2 LEU A 100 -0.700 -2.487 3.138 1.00 24.30 C ATOM 0 H LEU A 100 0.147 -0.817 1.732 1.00 53.23 H new ATOM 0 HA LEU A 100 3.068 -1.157 1.970 1.00 0.12 H new ATOM 0 HB2 LEU A 100 2.684 -2.467 3.870 1.00 5.24 H new ATOM 0 HB3 LEU A 100 1.561 -1.129 4.011 1.00 5.24 H new ATOM 0 HG LEU A 100 0.851 -3.942 3.124 1.00 53.41 H new ATOM 0 HD11 LEU A 100 -0.322 -4.069 5.308 1.00 65.20 H new ATOM 0 HD12 LEU A 100 1.428 -3.815 5.511 1.00 65.20 H new ATOM 0 HD13 LEU A 100 0.300 -2.454 5.725 1.00 65.20 H new ATOM 0 HD21 LEU A 100 -1.492 -3.214 3.317 1.00 24.30 H new ATOM 0 HD22 LEU A 100 -0.943 -1.553 3.645 1.00 24.30 H new ATOM 0 HD23 LEU A 100 -0.610 -2.305 2.067 1.00 24.30 H new ATOM 1379 N GLN A 101 3.337 -3.306 0.731 1.00 55.10 N ATOM 1380 CA GLN A 101 3.518 -4.457 -0.164 1.00 42.45 C ATOM 1381 C GLN A 101 3.892 -5.740 0.599 1.00 73.14 C ATOM 1382 O GLN A 101 4.779 -5.733 1.455 1.00 14.53 O ATOM 1383 CB GLN A 101 4.615 -4.161 -1.195 1.00 33.31 C ATOM 1384 CG GLN A 101 4.787 -5.267 -2.235 1.00 73.12 C ATOM 1385 CD GLN A 101 6.104 -5.185 -2.986 1.00 72.02 C ATOM 1386 OE1 GLN A 101 7.118 -4.757 -2.449 1.00 5.22 O ATOM 1387 NE2 GLN A 101 6.096 -5.592 -4.235 1.00 63.13 N ATOM 0 H GLN A 101 4.208 -2.888 1.058 1.00 55.10 H new ATOM 0 HA GLN A 101 2.561 -4.620 -0.660 1.00 42.45 H new ATOM 0 HB2 GLN A 101 4.381 -3.227 -1.705 1.00 33.31 H new ATOM 0 HB3 GLN A 101 5.561 -4.012 -0.675 1.00 33.31 H new ATOM 0 HG2 GLN A 101 4.719 -6.236 -1.740 1.00 73.12 H new ATOM 0 HG3 GLN A 101 3.965 -5.215 -2.949 1.00 73.12 H new ATOM 0 HE21 GLN A 101 5.234 -5.943 -4.651 1.00 63.13 H new ATOM 0 HE22 GLN A 101 6.952 -5.557 -4.788 1.00 63.13 H new ATOM 1396 N SER A 102 3.216 -6.836 0.265 1.00 14.40 N ATOM 1397 CA SER A 102 3.575 -8.172 0.770 1.00 74.55 C ATOM 1398 C SER A 102 3.809 -9.138 -0.396 1.00 71.34 C ATOM 1399 O SER A 102 2.863 -9.543 -1.071 1.00 64.11 O ATOM 1400 CB SER A 102 2.474 -8.734 1.682 1.00 3.42 C ATOM 1401 OG SER A 102 2.811 -10.032 2.150 1.00 30.53 O ATOM 0 H SER A 102 2.409 -6.831 -0.358 1.00 14.40 H new ATOM 0 HA SER A 102 4.493 -8.071 1.350 1.00 74.55 H new ATOM 0 HB2 SER A 102 2.324 -8.066 2.530 1.00 3.42 H new ATOM 0 HB3 SER A 102 1.531 -8.774 1.137 1.00 3.42 H new ATOM 0 HG SER A 102 2.095 -10.367 2.729 1.00 30.53 H new ATOM 1466 N GLY A 108 1.622 -11.451 -4.704 1.00 63.23 N ATOM 1467 CA GLY A 108 1.752 -10.279 -3.864 1.00 2.32 C ATOM 1468 C GLY A 108 0.417 -9.767 -3.346 1.00 1.12 C ATOM 1469 O GLY A 108 -0.644 -10.116 -3.865 1.00 34.45 O ATOM 0 HA2 GLY A 108 2.397 -10.515 -3.018 1.00 2.32 H new ATOM 0 HA3 GLY A 108 2.244 -9.487 -4.429 1.00 2.32 H new ATOM 1473 N HIS A 109 0.474 -8.937 -2.319 1.00 32.23 N ATOM 1474 CA HIS A 109 -0.722 -8.309 -1.759 1.00 14.34 C ATOM 1475 C HIS A 109 -0.441 -6.852 -1.369 1.00 65.15 C ATOM 1476 O HIS A 109 0.607 -6.549 -0.796 1.00 53.01 O ATOM 1477 CB HIS A 109 -1.211 -9.101 -0.541 1.00 32.54 C ATOM 1478 CG HIS A 109 -2.391 -8.480 0.138 1.00 64.44 C ATOM 1479 ND1 HIS A 109 -3.630 -8.469 -0.452 1.00 1.02 N ATOM 1480 CD2 HIS A 109 -2.463 -7.842 1.332 1.00 41.13 C ATOM 1481 CE1 HIS A 109 -4.423 -7.825 0.387 1.00 33.34 C ATOM 1482 NE2 HIS A 109 -3.760 -7.429 1.480 1.00 13.23 N ATOM 0 H HIS A 109 1.341 -8.677 -1.849 1.00 32.23 H new ATOM 0 HA HIS A 109 -1.502 -8.313 -2.520 1.00 14.34 H new ATOM 0 HB2 HIS A 109 -1.472 -10.111 -0.855 1.00 32.54 H new ATOM 0 HB3 HIS A 109 -0.395 -9.191 0.176 1.00 32.54 H new ATOM 0 HD1 HIS A 109 -3.886 -8.874 -1.352 1.00 1.02 H new ATOM 0 HD2 HIS A 109 -1.654 -7.689 2.031 1.00 41.13 H new ATOM 0 HE1 HIS A 109 -5.473 -7.642 0.213 1.00 33.34 H new ATOM 0 HE2 HIS A 109 -4.147 -6.917 2.273 1.00 13.23 H new ATOM 1490 N VAL A 110 -1.377 -5.957 -1.682 1.00 21.42 N ATOM 1491 CA VAL A 110 -1.232 -4.527 -1.375 1.00 14.31 C ATOM 1492 C VAL A 110 -2.547 -3.926 -0.861 1.00 4.14 C ATOM 1493 O VAL A 110 -3.628 -4.271 -1.336 1.00 21.32 O ATOM 1494 CB VAL A 110 -0.753 -3.714 -2.612 1.00 22.12 C ATOM 1495 CG1 VAL A 110 0.708 -4.023 -2.947 1.00 54.13 C ATOM 1496 CG2 VAL A 110 -1.656 -3.985 -3.817 1.00 2.02 C ATOM 0 H VAL A 110 -2.251 -6.195 -2.151 1.00 21.42 H new ATOM 0 HA VAL A 110 -0.475 -4.458 -0.593 1.00 14.31 H new ATOM 0 HB VAL A 110 -0.819 -2.655 -2.364 1.00 22.12 H new ATOM 0 HG11 VAL A 110 1.013 -3.440 -3.816 1.00 54.13 H new ATOM 0 HG12 VAL A 110 1.339 -3.765 -2.096 1.00 54.13 H new ATOM 0 HG13 VAL A 110 0.814 -5.085 -3.168 1.00 54.13 H new ATOM 0 HG21 VAL A 110 -1.305 -3.407 -4.672 1.00 2.02 H new ATOM 0 HG22 VAL A 110 -1.629 -5.047 -4.061 1.00 2.02 H new ATOM 0 HG23 VAL A 110 -2.679 -3.694 -3.578 1.00 2.02 H new ATOM 1506 N ALA A 111 -2.440 -3.026 0.112 1.00 44.35 N ATOM 1507 CA ALA A 111 -3.609 -2.345 0.684 1.00 74.34 C ATOM 1508 C ALA A 111 -3.258 -0.911 1.104 1.00 11.40 C ATOM 1509 O ALA A 111 -2.081 -0.537 1.158 1.00 62.22 O ATOM 1510 CB ALA A 111 -4.155 -3.134 1.871 1.00 42.34 C ATOM 0 H ALA A 111 -1.551 -2.746 0.527 1.00 44.35 H new ATOM 0 HA ALA A 111 -4.382 -2.291 -0.083 1.00 74.34 H new ATOM 0 HB1 ALA A 111 -5.021 -2.617 2.284 1.00 42.34 H new ATOM 0 HB2 ALA A 111 -4.450 -4.130 1.541 1.00 42.34 H new ATOM 0 HB3 ALA A 111 -3.384 -3.219 2.637 1.00 42.34 H new ATOM 1516 N TYR A 112 -4.277 -0.109 1.408 1.00 31.14 N ATOM 1517 CA TYR A 112 -4.066 1.298 1.769 1.00 23.21 C ATOM 1518 C TYR A 112 -4.147 1.506 3.289 1.00 65.13 C ATOM 1519 O TYR A 112 -5.059 1.008 3.950 1.00 20.53 O ATOM 1520 CB TYR A 112 -5.098 2.184 1.059 1.00 71.02 C ATOM 1521 CG TYR A 112 -4.846 3.675 1.219 1.00 44.40 C ATOM 1522 CD1 TYR A 112 -3.915 4.331 0.419 1.00 54.30 C ATOM 1523 CD2 TYR A 112 -5.544 4.428 2.160 1.00 41.45 C ATOM 1524 CE1 TYR A 112 -3.684 5.687 0.556 1.00 55.21 C ATOM 1525 CE2 TYR A 112 -5.318 5.783 2.302 1.00 33.11 C ATOM 1526 CZ TYR A 112 -4.391 6.407 1.496 1.00 51.31 C ATOM 1527 OH TYR A 112 -4.164 7.758 1.634 1.00 35.32 O ATOM 0 H TYR A 112 -5.253 -0.404 1.413 1.00 31.14 H new ATOM 0 HA TYR A 112 -3.064 1.581 1.445 1.00 23.21 H new ATOM 0 HB2 TYR A 112 -5.103 1.939 -0.003 1.00 71.02 H new ATOM 0 HB3 TYR A 112 -6.090 1.950 1.445 1.00 71.02 H new ATOM 0 HD1 TYR A 112 -3.363 3.771 -0.322 1.00 54.30 H new ATOM 0 HD2 TYR A 112 -6.275 3.944 2.790 1.00 41.45 H new ATOM 0 HE1 TYR A 112 -2.954 6.180 -0.069 1.00 55.21 H new ATOM 0 HE2 TYR A 112 -5.865 6.350 3.041 1.00 33.11 H new ATOM 0 HH TYR A 112 -4.743 8.117 2.338 1.00 35.32 H new ATOM 1537 N VAL A 113 -3.185 2.248 3.833 1.00 65.11 N ATOM 1538 CA VAL A 113 -3.132 2.529 5.273 1.00 73.15 C ATOM 1539 C VAL A 113 -4.127 3.633 5.673 1.00 2.33 C ATOM 1540 O VAL A 113 -3.940 4.807 5.335 1.00 71.24 O ATOM 1541 CB VAL A 113 -1.705 2.947 5.708 1.00 33.31 C ATOM 1542 CG1 VAL A 113 -1.647 3.217 7.214 1.00 70.33 C ATOM 1543 CG2 VAL A 113 -0.685 1.881 5.306 1.00 14.12 C ATOM 0 H VAL A 113 -2.426 2.669 3.298 1.00 65.11 H new ATOM 0 HA VAL A 113 -3.409 1.606 5.783 1.00 73.15 H new ATOM 0 HB VAL A 113 -1.452 3.873 5.192 1.00 33.31 H new ATOM 0 HG11 VAL A 113 -0.634 3.508 7.493 1.00 70.33 H new ATOM 0 HG12 VAL A 113 -2.338 4.021 7.466 1.00 70.33 H new ATOM 0 HG13 VAL A 113 -1.927 2.314 7.757 1.00 70.33 H new ATOM 0 HG21 VAL A 113 0.311 2.193 5.620 1.00 14.12 H new ATOM 0 HG22 VAL A 113 -0.938 0.936 5.787 1.00 14.12 H new ATOM 0 HG23 VAL A 113 -0.700 1.753 4.224 1.00 14.12 H new ATOM 1553 N GLU A 114 -5.176 3.246 6.398 1.00 75.21 N ATOM 1554 CA GLU A 114 -6.197 4.191 6.869 1.00 64.32 C ATOM 1555 C GLU A 114 -5.668 5.041 8.034 1.00 12.34 C ATOM 1556 O GLU A 114 -5.719 6.273 7.996 1.00 72.32 O ATOM 1557 CB GLU A 114 -7.456 3.433 7.328 1.00 11.14 C ATOM 1558 CG GLU A 114 -8.132 2.603 6.241 1.00 53.42 C ATOM 1559 CD GLU A 114 -8.816 3.450 5.176 1.00 32.42 C ATOM 1560 OE1 GLU A 114 -9.977 3.856 5.384 1.00 41.24 O ATOM 1561 OE2 GLU A 114 -8.206 3.697 4.116 1.00 41.31 O ATOM 0 H GLU A 114 -5.345 2.279 6.675 1.00 75.21 H new ATOM 0 HA GLU A 114 -6.448 4.849 6.037 1.00 64.32 H new ATOM 0 HB2 GLU A 114 -7.186 2.775 8.154 1.00 11.14 H new ATOM 0 HB3 GLU A 114 -8.176 4.153 7.717 1.00 11.14 H new ATOM 0 HG2 GLU A 114 -7.388 1.964 5.765 1.00 53.42 H new ATOM 0 HG3 GLU A 114 -8.869 1.945 6.701 1.00 53.42 H new ATOM 1568 N ASN A 115 -5.157 4.373 9.071 1.00 11.10 N ATOM 1569 CA ASN A 115 -4.713 5.061 10.291 1.00 43.34 C ATOM 1570 C ASN A 115 -3.674 4.239 11.075 1.00 43.23 C ATOM 1571 O ASN A 115 -3.751 3.013 11.137 1.00 52.44 O ATOM 1572 CB ASN A 115 -5.928 5.361 11.183 1.00 42.44 C ATOM 1573 CG ASN A 115 -5.541 5.931 12.535 1.00 61.45 C ATOM 1574 OD1 ASN A 115 -5.345 7.133 12.686 1.00 2.10 O ATOM 1575 ND2 ASN A 115 -5.447 5.075 13.537 1.00 23.34 N ATOM 0 H ASN A 115 -5.040 3.360 9.093 1.00 11.10 H new ATOM 0 HA ASN A 115 -4.231 5.992 9.992 1.00 43.34 H new ATOM 0 HB2 ASN A 115 -6.583 6.066 10.671 1.00 42.44 H new ATOM 0 HB3 ASN A 115 -6.499 4.444 11.331 1.00 42.44 H new ATOM 0 HD21 ASN A 115 -5.205 5.407 14.471 1.00 23.34 H new ATOM 0 HD22 ASN A 115 -5.616 4.082 13.377 1.00 23.34 H new ATOM 1582 N VAL A 116 -2.700 4.928 11.670 1.00 51.32 N ATOM 1583 CA VAL A 116 -1.711 4.289 12.542 1.00 22.01 C ATOM 1584 C VAL A 116 -1.915 4.711 14.004 1.00 3.32 C ATOM 1585 O VAL A 116 -2.114 5.893 14.300 1.00 14.43 O ATOM 1586 CB VAL A 116 -0.265 4.636 12.109 1.00 62.12 C ATOM 1587 CG1 VAL A 116 0.764 3.930 12.993 1.00 63.25 C ATOM 1588 CG2 VAL A 116 -0.047 4.290 10.639 1.00 31.44 C ATOM 0 H VAL A 116 -2.574 5.935 11.564 1.00 51.32 H new ATOM 0 HA VAL A 116 -1.856 3.212 12.453 1.00 22.01 H new ATOM 0 HB VAL A 116 -0.126 5.710 12.234 1.00 62.12 H new ATOM 0 HG11 VAL A 116 1.769 4.194 12.664 1.00 63.25 H new ATOM 0 HG12 VAL A 116 0.628 4.241 14.029 1.00 63.25 H new ATOM 0 HG13 VAL A 116 0.629 2.851 12.918 1.00 63.25 H new ATOM 0 HG21 VAL A 116 0.975 4.541 10.354 1.00 31.44 H new ATOM 0 HG22 VAL A 116 -0.214 3.224 10.488 1.00 31.44 H new ATOM 0 HG23 VAL A 116 -0.745 4.858 10.024 1.00 31.44 H new ATOM 1598 N ASN A 117 -1.864 3.742 14.910 1.00 62.43 N ATOM 1599 CA ASN A 117 -2.058 4.002 16.339 1.00 61.50 C ATOM 1600 C ASN A 117 -0.720 4.264 17.045 1.00 31.23 C ATOM 1601 O ASN A 117 0.327 3.805 16.593 1.00 63.21 O ATOM 1602 CB ASN A 117 -2.772 2.812 16.989 1.00 54.24 C ATOM 1603 CG ASN A 117 -4.148 2.584 16.395 1.00 63.23 C ATOM 1604 OD1 ASN A 117 -5.145 3.106 16.879 1.00 43.45 O ATOM 1605 ND2 ASN A 117 -4.214 1.815 15.327 1.00 63.43 N ATOM 0 H ASN A 117 -1.689 2.763 14.683 1.00 62.43 H new ATOM 0 HA ASN A 117 -2.672 4.896 16.443 1.00 61.50 H new ATOM 0 HB2 ASN A 117 -2.168 1.913 16.862 1.00 54.24 H new ATOM 0 HB3 ASN A 117 -2.864 2.985 18.061 1.00 54.24 H new ATOM 0 HD21 ASN A 117 -5.114 1.640 14.879 1.00 63.43 H new ATOM 0 HD22 ASN A 117 -3.365 1.395 14.948 1.00 63.43 H new ATOM 1612 N SER A 118 -0.764 4.997 18.157 1.00 14.21 N ATOM 1613 CA SER A 118 0.442 5.300 18.948 1.00 53.14 C ATOM 1614 C SER A 118 1.135 4.018 19.442 1.00 34.02 C ATOM 1615 O SER A 118 2.337 4.014 19.713 1.00 25.21 O ATOM 1616 CB SER A 118 0.080 6.189 20.148 1.00 13.11 C ATOM 1617 OG SER A 118 -0.499 7.420 19.729 1.00 65.43 O ATOM 0 H SER A 118 -1.622 5.396 18.537 1.00 14.21 H new ATOM 0 HA SER A 118 1.137 5.830 18.297 1.00 53.14 H new ATOM 0 HB2 SER A 118 -0.618 5.660 20.797 1.00 13.11 H new ATOM 0 HB3 SER A 118 0.975 6.389 20.737 1.00 13.11 H new ATOM 0 HG SER A 118 -0.720 7.962 20.515 1.00 65.43 H new ATOM 1623 N ASP A 119 0.368 2.931 19.552 1.00 71.33 N ATOM 1624 CA ASP A 119 0.913 1.625 19.948 1.00 32.24 C ATOM 1625 C ASP A 119 1.781 1.007 18.833 1.00 10.20 C ATOM 1626 O ASP A 119 2.487 0.023 19.053 1.00 20.23 O ATOM 1627 CB ASP A 119 -0.232 0.670 20.296 1.00 10.44 C ATOM 1628 CG ASP A 119 -1.133 1.230 21.380 1.00 55.55 C ATOM 1629 OD1 ASP A 119 -0.758 1.158 22.570 1.00 54.45 O ATOM 1630 OD2 ASP A 119 -2.214 1.760 21.046 1.00 45.12 O ATOM 0 H ASP A 119 -0.636 2.927 19.372 1.00 71.33 H new ATOM 0 HA ASP A 119 1.547 1.780 20.821 1.00 32.24 H new ATOM 0 HB2 ASP A 119 -0.822 0.471 19.401 1.00 10.44 H new ATOM 0 HB3 ASP A 119 0.180 -0.284 20.625 1.00 10.44 H new ATOM 1635 N GLY A 120 1.719 1.591 17.640 1.00 24.41 N ATOM 1636 CA GLY A 120 2.472 1.075 16.501 1.00 42.22 C ATOM 1637 C GLY A 120 1.618 0.243 15.551 1.00 15.35 C ATOM 1638 O GLY A 120 2.000 0.005 14.406 1.00 40.25 O ATOM 0 H GLY A 120 1.158 2.418 17.437 1.00 24.41 H new ATOM 0 HA2 GLY A 120 2.908 1.910 15.952 1.00 42.22 H new ATOM 0 HA3 GLY A 120 3.299 0.466 16.865 1.00 42.22 H new ATOM 1642 N SER A 121 0.459 -0.207 16.029 1.00 10.23 N ATOM 1643 CA SER A 121 -0.456 -1.019 15.214 1.00 31.10 C ATOM 1644 C SER A 121 -1.005 -0.221 14.025 1.00 35.22 C ATOM 1645 O SER A 121 -1.574 0.865 14.192 1.00 22.23 O ATOM 1646 CB SER A 121 -1.621 -1.536 16.063 1.00 44.01 C ATOM 1647 OG SER A 121 -1.154 -2.257 17.193 1.00 64.41 O ATOM 0 H SER A 121 0.127 -0.025 16.976 1.00 10.23 H new ATOM 0 HA SER A 121 0.115 -1.865 14.830 1.00 31.10 H new ATOM 0 HB2 SER A 121 -2.235 -0.697 16.392 1.00 44.01 H new ATOM 0 HB3 SER A 121 -2.259 -2.179 15.457 1.00 44.01 H new ATOM 0 HG SER A 121 -1.919 -2.574 17.718 1.00 64.41 H new ATOM 1653 N VAL A 122 -0.848 -0.777 12.830 1.00 34.21 N ATOM 1654 CA VAL A 122 -1.257 -0.109 11.587 1.00 5.12 C ATOM 1655 C VAL A 122 -2.571 -0.692 11.046 1.00 50.01 C ATOM 1656 O VAL A 122 -2.714 -1.906 10.916 1.00 12.11 O ATOM 1657 CB VAL A 122 -0.153 -0.238 10.508 1.00 43.00 C ATOM 1658 CG1 VAL A 122 -0.571 0.446 9.207 1.00 12.23 C ATOM 1659 CG2 VAL A 122 1.167 0.334 11.025 1.00 22.13 C ATOM 0 H VAL A 122 -0.436 -1.699 12.688 1.00 34.21 H new ATOM 0 HA VAL A 122 -1.413 0.944 11.820 1.00 5.12 H new ATOM 0 HB VAL A 122 -0.009 -1.297 10.293 1.00 43.00 H new ATOM 0 HG11 VAL A 122 0.223 0.339 8.468 1.00 12.23 H new ATOM 0 HG12 VAL A 122 -1.483 -0.017 8.829 1.00 12.23 H new ATOM 0 HG13 VAL A 122 -0.752 1.504 9.394 1.00 12.23 H new ATOM 0 HG21 VAL A 122 1.932 0.236 10.255 1.00 22.13 H new ATOM 0 HG22 VAL A 122 1.035 1.387 11.273 1.00 22.13 H new ATOM 0 HG23 VAL A 122 1.476 -0.213 11.916 1.00 22.13 H new ATOM 1669 N GLU A 123 -3.528 0.179 10.735 1.00 13.05 N ATOM 1670 CA GLU A 123 -4.845 -0.249 10.245 1.00 75.04 C ATOM 1671 C GLU A 123 -4.997 0.017 8.739 1.00 74.52 C ATOM 1672 O GLU A 123 -5.030 1.170 8.300 1.00 34.11 O ATOM 1673 CB GLU A 123 -5.946 0.481 11.023 1.00 51.33 C ATOM 1674 CG GLU A 123 -5.859 0.273 12.530 1.00 75.10 C ATOM 1675 CD GLU A 123 -6.918 1.041 13.294 1.00 15.24 C ATOM 1676 OE1 GLU A 123 -6.673 2.218 13.643 1.00 63.44 O ATOM 1677 OE2 GLU A 123 -7.997 0.471 13.564 1.00 51.14 O ATOM 0 H GLU A 123 -3.420 1.190 10.813 1.00 13.05 H new ATOM 0 HA GLU A 123 -4.936 -1.324 10.404 1.00 75.04 H new ATOM 0 HB2 GLU A 123 -5.888 1.548 10.807 1.00 51.33 H new ATOM 0 HB3 GLU A 123 -6.919 0.137 10.671 1.00 51.33 H new ATOM 0 HG2 GLU A 123 -5.958 -0.790 12.751 1.00 75.10 H new ATOM 0 HG3 GLU A 123 -4.873 0.581 12.878 1.00 75.10 H new ATOM 1684 N VAL A 124 -5.081 -1.055 7.951 1.00 51.31 N ATOM 1685 CA VAL A 124 -5.236 -0.939 6.492 1.00 11.31 C ATOM 1686 C VAL A 124 -6.658 -1.310 6.037 1.00 62.44 C ATOM 1687 O VAL A 124 -7.413 -1.947 6.773 1.00 61.43 O ATOM 1688 CB VAL A 124 -4.206 -1.822 5.741 1.00 53.24 C ATOM 1689 CG1 VAL A 124 -2.781 -1.424 6.119 1.00 21.05 C ATOM 1690 CG2 VAL A 124 -4.452 -3.308 6.014 1.00 73.51 C ATOM 0 H VAL A 124 -5.045 -2.015 8.294 1.00 51.31 H new ATOM 0 HA VAL A 124 -5.054 0.107 6.244 1.00 11.31 H new ATOM 0 HB VAL A 124 -4.333 -1.657 4.671 1.00 53.24 H new ATOM 0 HG11 VAL A 124 -2.073 -2.055 5.582 1.00 21.05 H new ATOM 0 HG12 VAL A 124 -2.612 -0.381 5.853 1.00 21.05 H new ATOM 0 HG13 VAL A 124 -2.640 -1.552 7.192 1.00 21.05 H new ATOM 0 HG21 VAL A 124 -3.715 -3.904 5.475 1.00 73.51 H new ATOM 0 HG22 VAL A 124 -4.363 -3.501 7.083 1.00 73.51 H new ATOM 0 HG23 VAL A 124 -5.453 -3.579 5.679 1.00 73.51 H new ATOM 1700 N SER A 125 -7.019 -0.902 4.820 1.00 51.21 N ATOM 1701 CA SER A 125 -8.350 -1.186 4.263 1.00 51.15 C ATOM 1702 C SER A 125 -8.262 -2.069 3.009 1.00 72.23 C ATOM 1703 O SER A 125 -7.447 -1.827 2.114 1.00 54.54 O ATOM 1704 CB SER A 125 -9.082 0.122 3.929 1.00 42.11 C ATOM 1705 OG SER A 125 -8.326 0.931 3.038 1.00 33.11 O ATOM 0 H SER A 125 -6.410 -0.372 4.197 1.00 51.21 H new ATOM 0 HA SER A 125 -8.912 -1.730 5.022 1.00 51.15 H new ATOM 0 HB2 SER A 125 -10.050 -0.106 3.482 1.00 42.11 H new ATOM 0 HB3 SER A 125 -9.277 0.675 4.848 1.00 42.11 H new ATOM 0 HG SER A 125 -8.322 1.857 3.360 1.00 33.11 H new ATOM 1711 N GLU A 126 -9.111 -3.095 2.953 1.00 34.15 N ATOM 1712 CA GLU A 126 -9.116 -4.049 1.836 1.00 1.41 C ATOM 1713 C GLU A 126 -10.532 -4.230 1.272 1.00 42.03 C ATOM 1714 O GLU A 126 -11.513 -4.075 1.991 1.00 31.22 O ATOM 1715 CB GLU A 126 -8.607 -5.414 2.315 1.00 12.43 C ATOM 1716 CG GLU A 126 -7.343 -5.356 3.164 1.00 24.22 C ATOM 1717 CD GLU A 126 -6.995 -6.707 3.764 1.00 53.12 C ATOM 1718 OE1 GLU A 126 -7.898 -7.348 4.345 1.00 51.15 O ATOM 1719 OE2 GLU A 126 -5.815 -7.132 3.654 1.00 34.24 O ATOM 0 H GLU A 126 -9.809 -3.290 3.671 1.00 34.15 H new ATOM 0 HA GLU A 126 -8.466 -3.652 1.056 1.00 1.41 H new ATOM 0 HB2 GLU A 126 -9.395 -5.899 2.892 1.00 12.43 H new ATOM 0 HB3 GLU A 126 -8.416 -6.042 1.445 1.00 12.43 H new ATOM 0 HG2 GLU A 126 -6.511 -5.007 2.552 1.00 24.22 H new ATOM 0 HG3 GLU A 126 -7.477 -4.628 3.964 1.00 24.22 H new ATOM 1726 N MET A 127 -10.646 -4.566 -0.009 1.00 23.42 N ATOM 1727 CA MET A 127 -11.946 -4.925 -0.583 1.00 61.45 C ATOM 1728 C MET A 127 -12.157 -6.439 -0.493 1.00 4.53 C ATOM 1729 O MET A 127 -11.493 -7.216 -1.182 1.00 61.40 O ATOM 1730 CB MET A 127 -12.064 -4.446 -2.035 1.00 34.33 C ATOM 1731 CG MET A 127 -13.381 -4.823 -2.703 1.00 24.14 C ATOM 1732 SD MET A 127 -13.621 -3.979 -4.278 1.00 50.15 S ATOM 1733 CE MET A 127 -13.862 -2.293 -3.722 1.00 21.15 C ATOM 0 H MET A 127 -9.866 -4.598 -0.666 1.00 23.42 H new ATOM 0 HA MET A 127 -12.725 -4.425 -0.008 1.00 61.45 H new ATOM 0 HB2 MET A 127 -11.952 -3.362 -2.060 1.00 34.33 H new ATOM 0 HB3 MET A 127 -11.241 -4.865 -2.614 1.00 34.33 H new ATOM 0 HG2 MET A 127 -13.408 -5.901 -2.864 1.00 24.14 H new ATOM 0 HG3 MET A 127 -14.207 -4.580 -2.034 1.00 24.14 H new ATOM 0 HE1 MET A 127 -14.768 -1.888 -4.172 1.00 21.15 H new ATOM 0 HE2 MET A 127 -13.958 -2.278 -2.636 1.00 21.15 H new ATOM 0 HE3 MET A 127 -13.007 -1.686 -4.019 1.00 21.15 H new ATOM 1878 N GLU A 138 -11.804 -3.476 7.254 1.00 3.23 N ATOM 1879 CA GLU A 138 -10.590 -3.032 7.954 1.00 65.33 C ATOM 1880 C GLU A 138 -9.742 -4.233 8.412 1.00 31.53 C ATOM 1881 O GLU A 138 -10.283 -5.274 8.798 1.00 34.10 O ATOM 1882 CB GLU A 138 -10.953 -2.172 9.182 1.00 31.24 C ATOM 1883 CG GLU A 138 -11.928 -1.021 8.904 1.00 5.42 C ATOM 1884 CD GLU A 138 -13.340 -1.494 8.579 1.00 40.40 C ATOM 1885 OE1 GLU A 138 -13.805 -2.477 9.203 1.00 14.23 O ATOM 1886 OE2 GLU A 138 -13.983 -0.906 7.686 1.00 21.33 O ATOM 0 HA GLU A 138 -10.009 -2.435 7.251 1.00 65.33 H new ATOM 0 HB2 GLU A 138 -11.387 -2.819 9.944 1.00 31.24 H new ATOM 0 HB3 GLU A 138 -10.036 -1.758 9.600 1.00 31.24 H new ATOM 0 HG2 GLU A 138 -11.963 -0.365 9.774 1.00 5.42 H new ATOM 0 HG3 GLU A 138 -11.550 -0.427 8.072 1.00 5.42 H new ATOM 1893 N ARG A 139 -8.421 -4.082 8.374 1.00 75.41 N ATOM 1894 CA ARG A 139 -7.503 -5.125 8.842 1.00 45.52 C ATOM 1895 C ARG A 139 -6.302 -4.507 9.582 1.00 63.43 C ATOM 1896 O ARG A 139 -5.455 -3.847 8.979 1.00 14.21 O ATOM 1897 CB ARG A 139 -7.034 -5.989 7.657 1.00 72.33 C ATOM 1898 CG ARG A 139 -5.932 -6.989 8.011 1.00 24.23 C ATOM 1899 CD ARG A 139 -5.637 -7.955 6.863 1.00 73.45 C ATOM 1900 NE ARG A 139 -6.651 -9.004 6.747 1.00 51.12 N ATOM 1901 CZ ARG A 139 -6.735 -9.839 5.743 1.00 42.54 C ATOM 1902 NH1 ARG A 139 -6.012 -9.673 4.682 1.00 12.22 N ATOM 1903 NH2 ARG A 139 -7.594 -10.804 5.784 1.00 45.43 N ATOM 0 H ARG A 139 -7.957 -3.244 8.023 1.00 75.41 H new ATOM 0 HA ARG A 139 -8.034 -5.764 9.547 1.00 45.52 H new ATOM 0 HB2 ARG A 139 -7.889 -6.534 7.257 1.00 72.33 H new ATOM 0 HB3 ARG A 139 -6.674 -5.334 6.864 1.00 72.33 H new ATOM 0 HG2 ARG A 139 -5.022 -6.448 8.271 1.00 24.23 H new ATOM 0 HG3 ARG A 139 -6.228 -7.556 8.893 1.00 24.23 H new ATOM 0 HD2 ARG A 139 -5.584 -7.399 5.927 1.00 73.45 H new ATOM 0 HD3 ARG A 139 -4.660 -8.412 7.018 1.00 73.45 H new ATOM 0 HE ARG A 139 -7.337 -9.090 7.497 1.00 51.12 H new ATOM 0 HH11 ARG A 139 -5.368 -8.884 4.622 1.00 12.22 H new ATOM 0 HH12 ARG A 139 -6.087 -10.331 3.906 1.00 12.22 H new ATOM 0 HH21 ARG A 139 -8.202 -10.912 6.596 1.00 45.43 H new ATOM 0 HH22 ARG A 139 -7.664 -11.458 5.004 1.00 45.43 H new ATOM 1917 N THR A 140 -6.253 -4.701 10.901 1.00 34.23 N ATOM 1918 CA THR A 140 -5.155 -4.174 11.728 1.00 32.20 C ATOM 1919 C THR A 140 -3.949 -5.127 11.740 1.00 53.31 C ATOM 1920 O THR A 140 -4.110 -6.345 11.817 1.00 31.55 O ATOM 1921 CB THR A 140 -5.615 -3.928 13.187 1.00 11.33 C ATOM 1922 OG1 THR A 140 -6.734 -3.030 13.202 1.00 24.14 O ATOM 1923 CG2 THR A 140 -4.489 -3.346 14.040 1.00 44.14 C ATOM 0 H THR A 140 -6.959 -5.219 11.424 1.00 34.23 H new ATOM 0 HA THR A 140 -4.856 -3.226 11.280 1.00 32.20 H new ATOM 0 HB THR A 140 -5.903 -4.890 13.610 1.00 11.33 H new ATOM 0 HG1 THR A 140 -7.021 -2.880 14.127 1.00 24.14 H new ATOM 0 HG21 THR A 140 -4.848 -3.187 15.057 1.00 44.14 H new ATOM 0 HG22 THR A 140 -3.649 -4.040 14.056 1.00 44.14 H new ATOM 0 HG23 THR A 140 -4.166 -2.395 13.616 1.00 44.14 H new ATOM 1931 N ILE A 141 -2.745 -4.561 11.666 1.00 20.31 N ATOM 1932 CA ILE A 141 -1.500 -5.340 11.655 1.00 0.41 C ATOM 1933 C ILE A 141 -0.566 -4.900 12.802 1.00 31.21 C ATOM 1934 O ILE A 141 -0.580 -3.733 13.209 1.00 1.20 O ATOM 1935 CB ILE A 141 -0.766 -5.178 10.294 1.00 22.14 C ATOM 1936 CG1 ILE A 141 -1.690 -5.591 9.133 1.00 25.30 C ATOM 1937 CG2 ILE A 141 0.527 -5.992 10.266 1.00 43.31 C ATOM 1938 CD1 ILE A 141 -1.071 -5.413 7.762 1.00 23.43 C ATOM 0 H ILE A 141 -2.602 -3.553 11.612 1.00 20.31 H new ATOM 0 HA ILE A 141 -1.762 -6.389 11.797 1.00 0.41 H new ATOM 0 HB ILE A 141 -0.504 -4.127 10.174 1.00 22.14 H new ATOM 0 HG12 ILE A 141 -1.972 -6.636 9.260 1.00 25.30 H new ATOM 0 HG13 ILE A 141 -2.607 -5.005 9.186 1.00 25.30 H new ATOM 0 HG21 ILE A 141 1.019 -5.860 9.303 1.00 43.31 H new ATOM 0 HG22 ILE A 141 1.189 -5.651 11.062 1.00 43.31 H new ATOM 0 HG23 ILE A 141 0.296 -7.047 10.414 1.00 43.31 H new ATOM 0 HD11 ILE A 141 -1.783 -5.725 6.998 1.00 23.43 H new ATOM 0 HD12 ILE A 141 -0.814 -4.364 7.612 1.00 23.43 H new ATOM 0 HD13 ILE A 141 -0.169 -6.021 7.688 1.00 23.43 H new ATOM 1950 N SER A 142 0.236 -5.837 13.323 1.00 2.40 N ATOM 1951 CA SER A 142 1.171 -5.544 14.427 1.00 25.44 C ATOM 1952 C SER A 142 2.244 -4.541 13.982 1.00 50.40 C ATOM 1953 O SER A 142 2.531 -4.431 12.797 1.00 52.02 O ATOM 1954 CB SER A 142 1.852 -6.837 14.915 1.00 41.23 C ATOM 1955 OG SER A 142 0.968 -7.953 14.841 1.00 61.04 O ATOM 0 H SER A 142 0.259 -6.805 13.001 1.00 2.40 H new ATOM 0 HA SER A 142 0.596 -5.109 15.244 1.00 25.44 H new ATOM 0 HB2 SER A 142 2.738 -7.033 14.311 1.00 41.23 H new ATOM 0 HB3 SER A 142 2.189 -6.706 15.943 1.00 41.23 H new ATOM 0 HG SER A 142 1.007 -8.343 13.943 1.00 61.04 H new ATOM 1961 N ALA A 143 2.849 -3.826 14.927 1.00 64.44 N ATOM 1962 CA ALA A 143 3.878 -2.825 14.599 1.00 4.11 C ATOM 1963 C ALA A 143 5.078 -3.448 13.867 1.00 2.24 C ATOM 1964 O ALA A 143 5.358 -3.115 12.713 1.00 2.33 O ATOM 1965 CB ALA A 143 4.341 -2.109 15.859 1.00 2.30 C ATOM 0 H ALA A 143 2.651 -3.915 15.924 1.00 64.44 H new ATOM 0 HA ALA A 143 3.423 -2.102 13.922 1.00 4.11 H new ATOM 0 HB1 ALA A 143 5.102 -1.372 15.600 1.00 2.30 H new ATOM 0 HB2 ALA A 143 3.493 -1.607 16.325 1.00 2.30 H new ATOM 0 HB3 ALA A 143 4.761 -2.834 16.556 1.00 2.30 H new ATOM 1971 N GLY A 144 5.785 -4.355 14.542 1.00 22.23 N ATOM 1972 CA GLY A 144 6.919 -5.042 13.927 1.00 71.11 C ATOM 1973 C GLY A 144 6.541 -5.792 12.655 1.00 12.05 C ATOM 1974 O GLY A 144 7.297 -5.820 11.678 1.00 24.24 O ATOM 0 H GLY A 144 5.594 -4.629 15.506 1.00 22.23 H new ATOM 0 HA2 GLY A 144 7.696 -4.314 13.696 1.00 71.11 H new ATOM 0 HA3 GLY A 144 7.344 -5.745 14.644 1.00 71.11 H new ATOM 1978 N GLU A 145 5.359 -6.390 12.678 1.00 42.13 N ATOM 1979 CA GLU A 145 4.825 -7.145 11.543 1.00 12.34 C ATOM 1980 C GLU A 145 4.510 -6.212 10.359 1.00 43.13 C ATOM 1981 O GLU A 145 4.712 -6.566 9.198 1.00 44.43 O ATOM 1982 CB GLU A 145 3.570 -7.889 12.013 1.00 40.12 C ATOM 1983 CG GLU A 145 2.883 -8.750 10.963 1.00 15.40 C ATOM 1984 CD GLU A 145 1.707 -9.519 11.548 1.00 64.14 C ATOM 1985 OE1 GLU A 145 0.751 -8.874 12.034 1.00 1.10 O ATOM 1986 OE2 GLU A 145 1.741 -10.771 11.552 1.00 64.45 O ATOM 0 H GLU A 145 4.737 -6.368 13.486 1.00 42.13 H new ATOM 0 HA GLU A 145 5.567 -7.862 11.190 1.00 12.34 H new ATOM 0 HB2 GLU A 145 3.841 -8.524 12.857 1.00 40.12 H new ATOM 0 HB3 GLU A 145 2.852 -7.156 12.382 1.00 40.12 H new ATOM 0 HG2 GLU A 145 2.535 -8.119 10.146 1.00 15.40 H new ATOM 0 HG3 GLU A 145 3.602 -9.451 10.540 1.00 15.40 H new ATOM 1993 N ALA A 146 4.035 -5.008 10.672 1.00 22.03 N ATOM 1994 CA ALA A 146 3.734 -3.996 9.656 1.00 60.23 C ATOM 1995 C ALA A 146 5.013 -3.419 9.041 1.00 61.40 C ATOM 1996 O ALA A 146 5.119 -3.268 7.825 1.00 31.13 O ATOM 1997 CB ALA A 146 2.885 -2.883 10.258 1.00 42.03 C ATOM 0 H ALA A 146 3.848 -4.706 11.628 1.00 22.03 H new ATOM 0 HA ALA A 146 3.172 -4.480 8.857 1.00 60.23 H new ATOM 0 HB1 ALA A 146 2.668 -2.137 9.494 1.00 42.03 H new ATOM 0 HB2 ALA A 146 1.951 -3.301 10.633 1.00 42.03 H new ATOM 0 HB3 ALA A 146 3.428 -2.414 11.078 1.00 42.03 H new ATOM 2003 N SER A 147 5.994 -3.125 9.893 1.00 72.42 N ATOM 2004 CA SER A 147 7.289 -2.584 9.442 1.00 1.44 C ATOM 2005 C SER A 147 8.000 -3.534 8.464 1.00 0.14 C ATOM 2006 O SER A 147 8.945 -3.142 7.775 1.00 65.13 O ATOM 2007 CB SER A 147 8.202 -2.311 10.647 1.00 45.55 C ATOM 2008 OG SER A 147 9.453 -1.761 10.245 1.00 13.21 O ATOM 0 H SER A 147 5.923 -3.250 10.903 1.00 72.42 H new ATOM 0 HA SER A 147 7.083 -1.651 8.917 1.00 1.44 H new ATOM 0 HB2 SER A 147 7.705 -1.624 11.332 1.00 45.55 H new ATOM 0 HB3 SER A 147 8.371 -3.239 11.193 1.00 45.55 H new ATOM 0 HG SER A 147 10.008 -1.598 11.036 1.00 13.21 H new ATOM 2014 N SER A 148 7.549 -4.785 8.419 1.00 24.12 N ATOM 2015 CA SER A 148 8.089 -5.784 7.482 1.00 53.31 C ATOM 2016 C SER A 148 7.690 -5.472 6.032 1.00 42.43 C ATOM 2017 O SER A 148 8.380 -5.860 5.088 1.00 50.04 O ATOM 2018 CB SER A 148 7.590 -7.189 7.857 1.00 64.01 C ATOM 2019 OG SER A 148 8.048 -8.171 6.937 1.00 2.22 O ATOM 0 H SER A 148 6.806 -5.139 9.022 1.00 24.12 H new ATOM 0 HA SER A 148 9.176 -5.747 7.555 1.00 53.31 H new ATOM 0 HB2 SER A 148 7.933 -7.442 8.860 1.00 64.01 H new ATOM 0 HB3 SER A 148 6.500 -7.194 7.882 1.00 64.01 H new ATOM 0 HG SER A 148 7.714 -9.052 7.206 1.00 2.22 H new ATOM 2025 N TYR A 149 6.581 -4.760 5.862 1.00 4.04 N ATOM 2026 CA TYR A 149 6.051 -4.449 4.531 1.00 72.43 C ATOM 2027 C TYR A 149 6.666 -3.162 3.955 1.00 13.21 C ATOM 2028 O TYR A 149 7.118 -2.283 4.693 1.00 14.01 O ATOM 2029 CB TYR A 149 4.526 -4.314 4.597 1.00 40.41 C ATOM 2030 CG TYR A 149 3.831 -5.540 5.158 1.00 44.40 C ATOM 2031 CD1 TYR A 149 3.811 -6.735 4.448 1.00 23.31 C ATOM 2032 CD2 TYR A 149 3.195 -5.504 6.395 1.00 64.50 C ATOM 2033 CE1 TYR A 149 3.181 -7.855 4.954 1.00 1.22 C ATOM 2034 CE2 TYR A 149 2.563 -6.623 6.906 1.00 40.12 C ATOM 2035 CZ TYR A 149 2.560 -7.794 6.180 1.00 22.21 C ATOM 2036 OH TYR A 149 1.937 -8.912 6.686 1.00 61.02 O ATOM 0 H TYR A 149 6.026 -4.384 6.631 1.00 4.04 H new ATOM 0 HA TYR A 149 6.320 -5.270 3.867 1.00 72.43 H new ATOM 0 HB2 TYR A 149 4.272 -3.450 5.211 1.00 40.41 H new ATOM 0 HB3 TYR A 149 4.144 -4.116 3.596 1.00 40.41 H new ATOM 0 HD1 TYR A 149 4.296 -6.788 3.485 1.00 23.31 H new ATOM 0 HD2 TYR A 149 3.195 -4.587 6.966 1.00 64.50 H new ATOM 0 HE1 TYR A 149 3.176 -8.776 4.389 1.00 1.22 H new ATOM 0 HE2 TYR A 149 2.075 -6.579 7.868 1.00 40.12 H new ATOM 0 HH TYR A 149 1.549 -8.702 7.561 1.00 61.02 H new ATOM 2046 N ASN A 150 6.681 -3.067 2.626 1.00 40.33 N ATOM 2047 CA ASN A 150 7.200 -1.881 1.928 1.00 14.03 C ATOM 2048 C ASN A 150 6.085 -0.842 1.711 1.00 43.03 C ATOM 2049 O ASN A 150 5.088 -1.129 1.050 1.00 44.34 O ATOM 2050 CB ASN A 150 7.793 -2.298 0.575 1.00 12.24 C ATOM 2051 CG ASN A 150 8.877 -3.351 0.716 1.00 64.41 C ATOM 2052 OD1 ASN A 150 9.625 -3.365 1.686 1.00 22.32 O ATOM 2053 ND2 ASN A 150 8.964 -4.255 -0.242 1.00 53.05 N ATOM 0 H ASN A 150 6.339 -3.799 2.004 1.00 40.33 H new ATOM 0 HA ASN A 150 7.977 -1.428 2.544 1.00 14.03 H new ATOM 0 HB2 ASN A 150 6.998 -2.683 -0.064 1.00 12.24 H new ATOM 0 HB3 ASN A 150 8.206 -1.421 0.077 1.00 12.24 H new ATOM 0 HD21 ASN A 150 9.668 -4.991 -0.186 1.00 53.05 H new ATOM 0 HD22 ASN A 150 8.327 -4.218 -1.038 1.00 53.05 H new ATOM 2060 N TYR A 151 6.260 0.360 2.266 1.00 12.32 N ATOM 2061 CA TYR A 151 5.237 1.416 2.181 1.00 20.21 C ATOM 2062 C TYR A 151 5.560 2.469 1.104 1.00 21.51 C ATOM 2063 O TYR A 151 6.558 3.189 1.192 1.00 52.22 O ATOM 2064 CB TYR A 151 5.076 2.106 3.544 1.00 22.11 C ATOM 2065 CG TYR A 151 4.479 1.212 4.619 1.00 12.55 C ATOM 2066 CD1 TYR A 151 5.286 0.407 5.417 1.00 55.55 C ATOM 2067 CD2 TYR A 151 3.104 1.176 4.834 1.00 25.04 C ATOM 2068 CE1 TYR A 151 4.742 -0.406 6.393 1.00 14.05 C ATOM 2069 CE2 TYR A 151 2.553 0.365 5.808 1.00 15.13 C ATOM 2070 CZ TYR A 151 3.375 -0.423 6.584 1.00 54.12 C ATOM 2071 OH TYR A 151 2.828 -1.229 7.554 1.00 4.12 O ATOM 0 H TYR A 151 7.099 0.630 2.780 1.00 12.32 H new ATOM 0 HA TYR A 151 4.304 0.931 1.894 1.00 20.21 H new ATOM 0 HB2 TYR A 151 6.051 2.459 3.879 1.00 22.11 H new ATOM 0 HB3 TYR A 151 4.443 2.985 3.423 1.00 22.11 H new ATOM 0 HD1 TYR A 151 6.356 0.418 5.271 1.00 55.55 H new ATOM 0 HD2 TYR A 151 2.456 1.793 4.229 1.00 25.04 H new ATOM 0 HE1 TYR A 151 5.383 -1.025 7.003 1.00 14.05 H new ATOM 0 HE2 TYR A 151 1.484 0.349 5.960 1.00 15.13 H new ATOM 0 HH TYR A 151 1.854 -1.121 7.558 1.00 4.12 H new ATOM 2081 N ILE A 152 4.693 2.565 0.095 1.00 43.54 N ATOM 2082 CA ILE A 152 4.835 3.565 -0.969 1.00 5.24 C ATOM 2083 C ILE A 152 4.072 4.859 -0.621 1.00 13.42 C ATOM 2084 O ILE A 152 2.857 4.844 -0.415 1.00 54.23 O ATOM 2085 CB ILE A 152 4.334 3.030 -2.344 1.00 0.40 C ATOM 2086 CG1 ILE A 152 5.117 1.772 -2.780 1.00 74.33 C ATOM 2087 CG2 ILE A 152 4.443 4.117 -3.416 1.00 45.34 C ATOM 2088 CD1 ILE A 152 4.756 0.504 -2.027 1.00 64.44 C ATOM 0 H ILE A 152 3.879 1.959 -0.009 1.00 43.54 H new ATOM 0 HA ILE A 152 5.900 3.782 -1.049 1.00 5.24 H new ATOM 0 HB ILE A 152 3.287 2.752 -2.227 1.00 0.40 H new ATOM 0 HG12 ILE A 152 4.948 1.607 -3.844 1.00 74.33 H new ATOM 0 HG13 ILE A 152 6.183 1.962 -2.653 1.00 74.33 H new ATOM 0 HG21 ILE A 152 4.089 3.725 -4.369 1.00 45.34 H new ATOM 0 HG22 ILE A 152 3.835 4.974 -3.128 1.00 45.34 H new ATOM 0 HG23 ILE A 152 5.483 4.427 -3.515 1.00 45.34 H new ATOM 0 HD11 ILE A 152 5.356 -0.325 -2.402 1.00 64.44 H new ATOM 0 HD12 ILE A 152 4.953 0.643 -0.964 1.00 64.44 H new ATOM 0 HD13 ILE A 152 3.699 0.282 -2.174 1.00 64.44 H new ATOM 2100 N HIS A 153 4.799 5.975 -0.561 1.00 33.25 N ATOM 2101 CA HIS A 153 4.221 7.288 -0.243 1.00 40.42 C ATOM 2102 C HIS A 153 4.307 8.235 -1.453 1.00 53.35 C ATOM 2103 O HIS A 153 5.149 8.055 -2.336 1.00 51.12 O ATOM 2104 CB HIS A 153 4.948 7.920 0.954 1.00 52.34 C ATOM 2105 CG HIS A 153 4.890 7.103 2.209 1.00 23.13 C ATOM 2106 ND1 HIS A 153 4.085 7.426 3.282 1.00 42.40 N ATOM 2107 CD2 HIS A 153 5.570 5.989 2.576 1.00 11.32 C ATOM 2108 CE1 HIS A 153 4.272 6.553 4.250 1.00 21.54 C ATOM 2109 NE2 HIS A 153 5.164 5.670 3.849 1.00 71.44 N ATOM 0 H HIS A 153 5.805 5.998 -0.731 1.00 33.25 H new ATOM 0 HA HIS A 153 3.172 7.137 0.011 1.00 40.42 H new ATOM 0 HB2 HIS A 153 5.992 8.081 0.687 1.00 52.34 H new ATOM 0 HB3 HIS A 153 4.515 8.900 1.152 1.00 52.34 H new ATOM 0 HD2 HIS A 153 6.294 5.453 1.980 1.00 11.32 H new ATOM 0 HE1 HIS A 153 3.778 6.560 5.210 1.00 21.54 H new ATOM 0 HE2 HIS A 153 5.499 4.877 4.396 1.00 71.44 H new ATOM 2118 N LEU A 154 3.442 9.250 -1.481 1.00 53.34 N ATOM 2119 CA LEU A 154 3.398 10.198 -2.609 1.00 0.31 C ATOM 2120 C LEU A 154 4.084 11.535 -2.281 1.00 60.20 C ATOM 2121 O LEU A 154 4.674 12.165 -3.161 1.00 54.12 O ATOM 2122 CB LEU A 154 1.942 10.456 -3.024 1.00 73.31 C ATOM 2123 CG LEU A 154 1.115 9.201 -3.355 1.00 33.11 C ATOM 2124 CD1 LEU A 154 -0.243 9.586 -3.940 1.00 2.24 C ATOM 2125 CD2 LEU A 154 1.880 8.281 -4.306 1.00 41.42 C ATOM 0 H LEU A 154 2.764 9.441 -0.743 1.00 53.34 H new ATOM 0 HA LEU A 154 3.947 9.740 -3.432 1.00 0.31 H new ATOM 0 HB2 LEU A 154 1.444 10.996 -2.219 1.00 73.31 H new ATOM 0 HB3 LEU A 154 1.941 11.110 -3.896 1.00 73.31 H new ATOM 0 HG LEU A 154 0.940 8.655 -2.428 1.00 33.11 H new ATOM 0 HD11 LEU A 154 -0.811 8.683 -4.167 1.00 2.24 H new ATOM 0 HD12 LEU A 154 -0.793 10.189 -3.217 1.00 2.24 H new ATOM 0 HD13 LEU A 154 -0.096 10.161 -4.854 1.00 2.24 H new ATOM 0 HD21 LEU A 154 1.276 7.401 -4.525 1.00 41.42 H new ATOM 0 HD22 LEU A 154 2.096 8.813 -5.232 1.00 41.42 H new ATOM 0 HD23 LEU A 154 2.815 7.972 -3.839 1.00 41.42 H new