USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 777 MET CE :methyl -175:sc= 0 (180deg=-0.0336) USER MOD Set 1.2: A 782 THR OG1 : rot -75:sc= 0.318 USER MOD Set 1.3: A 819 GLN : amide:sc= 0.0716 K(o=-2.2,f=-3.7) USER MOD Set 1.4: A 850 ASN :FLIP amide:sc= -2.61! C(o=-3.7!,f=-2.2!) USER MOD Set 2.1: A 817 LYS NZ :NH3+ -177:sc= 0.0998 (180deg=0) USER MOD Set 2.2: A 854 TYR OH : rot 180:sc= 0.0979 USER MOD Single : A 779 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 787 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.229) USER MOD Single : A 790 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.23) USER MOD Single : A 796 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 799 ASN :FLIP amide:sc= -0.569 F(o=-1.6,f=-0.57) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 803 SER OG : rot 12:sc= 1.15 USER MOD Single : A 804 ASN : amide:sc= -0.0956 K(o=-0.096,f=-1.5!) USER MOD Single : A 805 THR OG1 : rot 180:sc= -0.0787 USER MOD Single : A 806 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 807 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 808 ASN : amide:sc= -0.0926 X(o=-0.093,f=0) USER MOD Single : A 809 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.42) USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 814 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 180:sc= 0 USER MOD Single : A 830 SER OG : rot -48:sc= 0.894 USER MOD Single : A 835 ASN : amide:sc= -0.0924 X(o=-0.092,f=-0.2) USER MOD Single : A 838 LYS NZ :NH3+ -175:sc= 0.373 (180deg=0.359) USER MOD Single : A 840 MET CE :methyl -132:sc= -1.06 (180deg=-2.3!) USER MOD Single : A 844 ASN : amide:sc= -0.589 X(o=-0.59,f=-0.28) USER MOD Single : A 845 ASN : amide:sc= -0.0504 X(o=-0.05,f=-0.47) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 775 -9.215 14.627 -2.819 1.00 9.10 N ATOM 2 CA GLY A 775 -8.493 13.801 -1.812 1.00 8.80 C ATOM 3 C GLY A 775 -8.741 12.317 -1.994 1.00 8.11 C ATOM 4 O GLY A 775 -9.507 11.713 -1.243 1.00 8.12 O ATOM 0 HA2 GLY A 775 -7.424 13.999 -1.884 1.00 8.80 H new ATOM 0 HA3 GLY A 775 -8.806 14.098 -0.811 1.00 8.80 H new ATOM 10 N ALA A 776 -8.091 11.730 -2.993 1.00 7.81 N ATOM 11 CA ALA A 776 -8.244 10.306 -3.273 1.00 7.43 C ATOM 12 C ALA A 776 -7.369 9.467 -2.348 1.00 6.66 C ATOM 13 O ALA A 776 -6.141 9.487 -2.453 1.00 6.79 O ATOM 14 CB ALA A 776 -7.907 10.018 -4.730 1.00 8.12 C ATOM 0 H ALA A 776 -7.453 12.217 -3.622 1.00 7.81 H new ATOM 0 HA ALA A 776 -9.283 10.033 -3.090 1.00 7.43 H new ATOM 0 HB1 ALA A 776 -8.025 8.952 -4.927 1.00 8.12 H new ATOM 0 HB2 ALA A 776 -8.578 10.583 -5.377 1.00 8.12 H new ATOM 0 HB3 ALA A 776 -6.877 10.312 -4.930 1.00 8.12 H new ATOM 20 N MET A 777 -8.011 8.732 -1.441 1.00 6.18 N ATOM 21 CA MET A 777 -7.297 7.882 -0.491 1.00 5.71 C ATOM 22 C MET A 777 -6.297 8.695 0.328 1.00 5.06 C ATOM 23 O MET A 777 -6.401 9.918 0.417 1.00 5.55 O ATOM 24 CB MET A 777 -6.574 6.749 -1.228 1.00 6.17 C ATOM 25 CG MET A 777 -7.514 5.792 -1.942 1.00 6.70 C ATOM 26 SD MET A 777 -7.837 4.296 -0.990 1.00 7.49 S ATOM 27 CE MET A 777 -7.056 3.060 -2.024 1.00 8.34 C ATOM 0 H MET A 777 -9.026 8.709 -1.345 1.00 6.18 H new ATOM 0 HA MET A 777 -8.029 7.451 0.192 1.00 5.71 H new ATOM 0 HB2 MET A 777 -5.886 7.180 -1.955 1.00 6.17 H new ATOM 0 HB3 MET A 777 -5.971 6.188 -0.514 1.00 6.17 H new ATOM 0 HG2 MET A 777 -8.457 6.299 -2.145 1.00 6.70 H new ATOM 0 HG3 MET A 777 -7.085 5.519 -2.906 1.00 6.70 H new ATOM 0 HE1 MET A 777 -7.247 2.069 -1.614 1.00 8.34 H new ATOM 0 HE2 MET A 777 -7.463 3.120 -3.033 1.00 8.34 H new ATOM 0 HE3 MET A 777 -5.981 3.238 -2.055 1.00 8.34 H new ATOM 37 N GLY A 778 -5.331 8.005 0.928 1.00 4.25 N ATOM 38 CA GLY A 778 -4.326 8.676 1.733 1.00 3.79 C ATOM 39 C GLY A 778 -4.275 8.149 3.154 1.00 2.65 C ATOM 40 O GLY A 778 -3.413 8.546 3.939 1.00 2.91 O ATOM 0 H GLY A 778 -5.227 6.992 0.871 1.00 4.25 H new ATOM 0 HA2 GLY A 778 -3.349 8.551 1.267 1.00 3.79 H new ATOM 0 HA3 GLY A 778 -4.535 9.746 1.753 1.00 3.79 H new ATOM 44 N SER A 779 -5.201 7.255 3.485 1.00 1.98 N ATOM 45 CA SER A 779 -5.259 6.671 4.821 1.00 1.35 C ATOM 46 C SER A 779 -4.756 5.232 4.808 1.00 1.02 C ATOM 47 O SER A 779 -4.026 4.811 5.705 1.00 1.06 O ATOM 48 CB SER A 779 -6.691 6.719 5.359 1.00 2.12 C ATOM 49 OG SER A 779 -7.635 6.621 4.306 1.00 2.61 O ATOM 0 H SER A 779 -5.922 6.919 2.847 1.00 1.98 H new ATOM 0 HA SER A 779 -4.613 7.256 5.475 1.00 1.35 H new ATOM 0 HB2 SER A 779 -6.845 5.904 6.066 1.00 2.12 H new ATOM 0 HB3 SER A 779 -6.846 7.649 5.906 1.00 2.12 H new ATOM 0 HG SER A 779 -8.542 6.652 4.676 1.00 2.61 H new ATOM 55 N ILE A 780 -5.155 4.481 3.785 1.00 0.79 N ATOM 56 CA ILE A 780 -4.745 3.087 3.653 1.00 0.51 C ATOM 57 C ILE A 780 -4.252 2.794 2.238 1.00 0.46 C ATOM 58 O ILE A 780 -3.939 3.711 1.479 1.00 0.53 O ATOM 59 CB ILE A 780 -5.898 2.118 3.994 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.035 2.859 4.703 1.00 0.64 C ATOM 61 CG2 ILE A 780 -5.386 0.977 4.860 1.00 0.58 C ATOM 62 CD1 ILE A 780 -8.327 2.071 4.763 1.00 1.22 C ATOM 0 H ILE A 780 -5.762 4.815 3.036 1.00 0.79 H new ATOM 0 HA ILE A 780 -3.933 2.930 4.363 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.288 1.704 3.064 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -6.721 3.104 5.718 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -7.218 3.803 4.190 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -6.208 0.301 5.094 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -4.610 0.432 4.323 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -4.973 1.379 5.785 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -9.087 2.658 5.279 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -8.665 1.849 3.751 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -8.160 1.139 5.303 1.00 1.22 H new ATOM 74 N PHE A 781 -4.193 1.512 1.887 1.00 0.39 N ATOM 75 CA PHE A 781 -3.745 1.100 0.567 1.00 0.36 C ATOM 76 C PHE A 781 -4.318 -0.267 0.223 1.00 0.30 C ATOM 77 O PHE A 781 -3.727 -1.300 0.536 1.00 0.35 O ATOM 78 CB PHE A 781 -2.216 1.064 0.507 1.00 0.41 C ATOM 79 CG PHE A 781 -1.636 1.817 -0.657 1.00 0.45 C ATOM 80 CD1 PHE A 781 -1.957 3.147 -0.866 1.00 0.73 C ATOM 81 CD2 PHE A 781 -0.773 1.193 -1.546 1.00 0.81 C ATOM 82 CE1 PHE A 781 -1.428 3.844 -1.936 1.00 0.80 C ATOM 83 CE2 PHE A 781 -0.241 1.883 -2.618 1.00 0.94 C ATOM 84 CZ PHE A 781 -0.558 3.206 -2.811 1.00 0.73 C ATOM 0 H PHE A 781 -4.451 0.741 2.503 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.102 1.826 -0.164 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -1.816 1.479 1.432 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -1.888 0.026 0.456 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -2.629 3.647 -0.184 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.514 0.155 -1.398 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -1.690 4.880 -2.091 1.00 0.80 H new ATOM 0 HE2 PHE A 781 0.425 1.382 -3.305 1.00 0.94 H new ATOM 0 HZ PHE A 781 -0.131 3.749 -3.642 1.00 0.73 H new ATOM 94 N THR A 782 -5.481 -0.264 -0.416 1.00 0.28 N ATOM 95 CA THR A 782 -6.149 -1.503 -0.795 1.00 0.29 C ATOM 96 C THR A 782 -5.877 -1.849 -2.254 1.00 0.35 C ATOM 97 O THR A 782 -6.587 -1.400 -3.156 1.00 0.52 O ATOM 98 CB THR A 782 -7.671 -1.408 -0.580 1.00 0.41 C ATOM 99 OG1 THR A 782 -8.009 -0.137 -0.014 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.159 -2.521 0.334 1.00 0.44 C ATOM 0 H THR A 782 -5.982 0.583 -0.683 1.00 0.28 H new ATOM 0 HA THR A 782 -5.746 -2.288 -0.155 1.00 0.29 H new ATOM 0 HB THR A 782 -8.159 -1.514 -1.549 1.00 0.41 H new ATOM 0 HG1 THR A 782 -7.765 -0.126 0.935 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.237 -2.433 0.471 1.00 0.44 H new ATOM 0 HG22 THR A 782 -7.928 -3.487 -0.114 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.663 -2.441 1.301 1.00 0.44 H new ATOM 108 N LEU A 783 -4.841 -2.651 -2.472 1.00 0.40 N ATOM 109 CA LEU A 783 -4.458 -3.068 -3.812 1.00 0.56 C ATOM 110 C LEU A 783 -5.160 -4.367 -4.195 1.00 0.58 C ATOM 111 O LEU A 783 -5.583 -5.133 -3.328 1.00 0.99 O ATOM 112 CB LEU A 783 -2.944 -3.258 -3.877 1.00 0.67 C ATOM 113 CG LEU A 783 -2.263 -2.663 -5.107 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.935 -1.198 -4.875 1.00 1.57 C ATOM 115 CD2 LEU A 783 -1.006 -3.449 -5.439 1.00 1.53 C ATOM 0 H LEU A 783 -4.249 -3.027 -1.731 1.00 0.40 H new ATOM 0 HA LEU A 783 -4.759 -2.293 -4.517 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -2.500 -2.814 -2.986 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -2.727 -4.326 -3.843 1.00 0.67 H new ATOM 0 HG LEU A 783 -2.946 -2.729 -5.954 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -1.450 -0.789 -5.761 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -2.854 -0.646 -4.677 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -1.265 -1.106 -4.020 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -0.528 -3.016 -6.318 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -0.318 -3.408 -4.595 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -1.269 -4.487 -5.643 1.00 1.53 H new ATOM 127 N LEU A 784 -5.273 -4.617 -5.496 1.00 0.27 N ATOM 128 CA LEU A 784 -5.915 -5.827 -5.986 1.00 0.26 C ATOM 129 C LEU A 784 -4.895 -6.955 -6.115 1.00 0.23 C ATOM 130 O LEU A 784 -3.986 -6.892 -6.943 1.00 0.29 O ATOM 131 CB LEU A 784 -6.599 -5.566 -7.325 1.00 0.31 C ATOM 132 CG LEU A 784 -6.664 -6.760 -8.281 1.00 0.51 C ATOM 133 CD1 LEU A 784 -7.830 -7.669 -7.921 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.779 -6.284 -9.721 1.00 0.75 C ATOM 0 H LEU A 784 -4.928 -3.996 -6.228 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.676 -6.130 -5.267 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.615 -5.223 -7.132 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -6.077 -4.751 -7.826 1.00 0.31 H new ATOM 0 HG LEU A 784 -5.741 -7.332 -8.182 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -7.861 -8.512 -8.611 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -7.703 -8.038 -6.903 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -8.763 -7.109 -7.991 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -6.824 -7.146 -10.387 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -7.685 -5.689 -9.836 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.911 -5.676 -9.974 1.00 0.75 H new ATOM 146 N VAL A 785 -5.047 -7.975 -5.282 1.00 0.25 N ATOM 147 CA VAL A 785 -4.133 -9.112 -5.290 1.00 0.30 C ATOM 148 C VAL A 785 -4.791 -10.355 -5.883 1.00 0.34 C ATOM 149 O VAL A 785 -6.012 -10.509 -5.834 1.00 0.55 O ATOM 150 CB VAL A 785 -3.641 -9.439 -3.868 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.558 -10.507 -3.909 1.00 1.11 C ATOM 152 CG2 VAL A 785 -3.132 -8.183 -3.177 1.00 1.18 C ATOM 0 H VAL A 785 -5.795 -8.040 -4.591 1.00 0.25 H new ATOM 0 HA VAL A 785 -3.284 -8.827 -5.912 1.00 0.30 H new ATOM 0 HB VAL A 785 -4.482 -9.828 -3.294 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.223 -10.725 -2.895 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -2.959 -11.414 -4.361 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -1.715 -10.148 -4.500 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -2.789 -8.434 -2.173 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -2.305 -7.763 -3.749 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -3.937 -7.451 -3.113 1.00 1.18 H new ATOM 162 N GLU A 786 -3.967 -11.241 -6.434 1.00 0.38 N ATOM 163 CA GLU A 786 -4.452 -12.480 -7.030 1.00 0.42 C ATOM 164 C GLU A 786 -4.156 -13.665 -6.113 1.00 0.46 C ATOM 165 O GLU A 786 -3.503 -13.512 -5.080 1.00 0.48 O ATOM 166 CB GLU A 786 -3.798 -12.701 -8.397 1.00 0.43 C ATOM 167 CG GLU A 786 -4.708 -13.389 -9.400 1.00 0.56 C ATOM 168 CD GLU A 786 -4.930 -12.561 -10.651 1.00 0.75 C ATOM 169 OE1 GLU A 786 -5.162 -11.340 -10.522 1.00 1.02 O ATOM 170 OE2 GLU A 786 -4.874 -13.133 -11.760 1.00 1.40 O ATOM 0 H GLU A 786 -2.955 -11.122 -6.480 1.00 0.38 H new ATOM 0 HA GLU A 786 -5.531 -12.400 -7.162 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.487 -11.738 -8.802 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.896 -13.299 -8.267 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -4.276 -14.350 -9.677 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -5.670 -13.596 -8.930 1.00 0.56 H new ATOM 177 N LYS A 787 -4.633 -14.843 -6.498 1.00 0.51 N ATOM 178 CA LYS A 787 -4.412 -16.051 -5.710 1.00 0.57 C ATOM 179 C LYS A 787 -3.127 -16.749 -6.141 1.00 0.60 C ATOM 180 O LYS A 787 -3.136 -17.925 -6.506 1.00 1.07 O ATOM 181 CB LYS A 787 -5.601 -17.006 -5.851 1.00 0.64 C ATOM 182 CG LYS A 787 -6.952 -16.309 -5.813 1.00 1.29 C ATOM 183 CD LYS A 787 -7.247 -15.743 -4.434 1.00 1.49 C ATOM 184 CE LYS A 787 -8.740 -15.742 -4.140 1.00 2.24 C ATOM 185 NZ LYS A 787 -9.528 -15.181 -5.272 1.00 2.85 N ATOM 0 H LYS A 787 -5.175 -14.988 -7.350 1.00 0.51 H new ATOM 0 HA LYS A 787 -4.315 -15.761 -4.664 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -5.509 -17.550 -6.791 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -5.560 -17.744 -5.050 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -6.969 -15.505 -6.549 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -7.735 -17.014 -6.093 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -6.727 -16.332 -3.679 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -6.861 -14.726 -4.367 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -9.071 -16.761 -3.937 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -8.932 -15.159 -3.239 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -10.486 -14.945 -4.944 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -9.062 -14.322 -5.627 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -9.587 -15.884 -6.036 1.00 2.85 H new ATOM 199 N VAL A 788 -2.021 -16.011 -6.105 1.00 0.29 N ATOM 200 CA VAL A 788 -0.726 -16.553 -6.499 1.00 0.29 C ATOM 201 C VAL A 788 0.410 -15.616 -6.094 1.00 0.26 C ATOM 202 O VAL A 788 1.543 -16.050 -5.887 1.00 0.29 O ATOM 203 CB VAL A 788 -0.669 -16.793 -8.023 1.00 0.32 C ATOM 204 CG1 VAL A 788 -1.156 -15.563 -8.774 1.00 0.31 C ATOM 205 CG2 VAL A 788 0.736 -17.171 -8.464 1.00 0.33 C ATOM 0 H VAL A 788 -1.997 -15.036 -5.807 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.603 -17.504 -5.981 1.00 0.29 H new ATOM 0 HB VAL A 788 -1.330 -17.627 -8.260 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -1.109 -15.750 -9.847 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -2.185 -15.346 -8.488 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.523 -14.711 -8.526 1.00 0.31 H new ATOM 0 HG21 VAL A 788 0.748 -17.334 -9.542 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.426 -16.365 -8.212 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.044 -18.085 -7.955 1.00 0.33 H new ATOM 215 N TRP A 789 0.098 -14.328 -5.989 1.00 0.21 N ATOM 216 CA TRP A 789 1.090 -13.324 -5.618 1.00 0.18 C ATOM 217 C TRP A 789 1.822 -13.700 -4.338 1.00 0.18 C ATOM 218 O TRP A 789 1.203 -13.925 -3.299 1.00 0.19 O ATOM 219 CB TRP A 789 0.426 -11.961 -5.429 1.00 0.18 C ATOM 220 CG TRP A 789 0.085 -11.286 -6.719 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.098 -11.845 -7.965 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.310 -9.921 -6.894 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.266 -10.913 -8.902 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.523 -9.723 -8.271 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.506 -8.849 -6.020 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.922 -8.495 -8.793 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.903 -7.632 -6.538 1.00 0.28 C ATOM 228 CH2 TRP A 789 -1.107 -7.463 -7.913 1.00 0.30 C ATOM 0 H TRP A 789 -0.836 -13.954 -6.156 1.00 0.21 H new ATOM 0 HA TRP A 789 1.814 -13.275 -6.431 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.483 -12.086 -4.841 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.092 -11.317 -4.854 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.357 -12.871 -8.181 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.335 -11.078 -9.906 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.350 -8.970 -4.958 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -1.080 -8.362 -9.853 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -1.059 -6.797 -5.871 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.417 -6.498 -8.287 1.00 0.30 H new ATOM 239 N ASN A 790 3.145 -13.733 -4.417 1.00 0.18 N ATOM 240 CA ASN A 790 3.966 -14.043 -3.258 1.00 0.20 C ATOM 241 C ASN A 790 4.353 -12.744 -2.570 1.00 0.18 C ATOM 242 O ASN A 790 4.130 -11.667 -3.116 1.00 0.20 O ATOM 243 CB ASN A 790 5.220 -14.818 -3.671 1.00 0.24 C ATOM 244 CG ASN A 790 5.175 -15.262 -5.120 1.00 0.93 C ATOM 245 OD1 ASN A 790 4.595 -16.297 -5.445 1.00 1.89 O ATOM 246 ND2 ASN A 790 5.790 -14.479 -5.997 1.00 0.77 N ATOM 0 H ASN A 790 3.671 -13.549 -5.271 1.00 0.18 H new ATOM 0 HA ASN A 790 3.397 -14.670 -2.572 1.00 0.20 H new ATOM 0 HB2 ASN A 790 6.099 -14.193 -3.513 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.331 -15.692 -3.029 1.00 0.24 H new ATOM 0 HD21 ASN A 790 5.794 -14.727 -6.987 1.00 0.77 H new ATOM 0 HD22 ASN A 790 6.258 -13.630 -5.682 1.00 0.77 H new ATOM 253 N PHE A 791 4.928 -12.833 -1.377 1.00 0.20 N ATOM 254 CA PHE A 791 5.328 -11.636 -0.650 1.00 0.20 C ATOM 255 C PHE A 791 6.258 -10.792 -1.512 1.00 0.16 C ATOM 256 O PHE A 791 6.339 -9.574 -1.352 1.00 0.17 O ATOM 257 CB PHE A 791 6.002 -12.020 0.675 1.00 0.26 C ATOM 258 CG PHE A 791 6.927 -10.971 1.229 1.00 0.35 C ATOM 259 CD1 PHE A 791 6.423 -9.847 1.865 1.00 0.44 C ATOM 260 CD2 PHE A 791 8.300 -11.113 1.116 1.00 0.47 C ATOM 261 CE1 PHE A 791 7.273 -8.885 2.377 1.00 0.57 C ATOM 262 CE2 PHE A 791 9.154 -10.153 1.625 1.00 0.59 C ATOM 263 CZ PHE A 791 8.640 -9.037 2.256 1.00 0.63 C ATOM 0 H PHE A 791 5.126 -13.711 -0.897 1.00 0.20 H new ATOM 0 HA PHE A 791 4.442 -11.044 -0.419 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.229 -12.232 1.414 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.564 -12.942 0.529 1.00 0.26 H new ATOM 0 HD1 PHE A 791 5.355 -9.722 1.961 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.708 -11.984 0.625 1.00 0.47 H new ATOM 0 HE1 PHE A 791 6.868 -8.015 2.872 1.00 0.57 H new ATOM 0 HE2 PHE A 791 10.223 -10.275 1.529 1.00 0.59 H new ATOM 0 HZ PHE A 791 9.306 -8.285 2.654 1.00 0.63 H new ATOM 273 N ASP A 792 6.934 -11.447 -2.449 1.00 0.17 N ATOM 274 CA ASP A 792 7.833 -10.759 -3.360 1.00 0.17 C ATOM 275 C ASP A 792 7.024 -9.967 -4.378 1.00 0.16 C ATOM 276 O ASP A 792 7.121 -8.742 -4.440 1.00 0.19 O ATOM 277 CB ASP A 792 8.741 -11.757 -4.074 1.00 0.22 C ATOM 278 CG ASP A 792 9.244 -12.849 -3.148 1.00 1.17 C ATOM 279 OD1 ASP A 792 9.816 -12.513 -2.090 1.00 1.47 O ATOM 280 OD2 ASP A 792 9.062 -14.039 -3.481 1.00 2.05 O ATOM 0 H ASP A 792 6.875 -12.455 -2.596 1.00 0.17 H new ATOM 0 HA ASP A 792 8.458 -10.075 -2.786 1.00 0.17 H new ATOM 0 HB2 ASP A 792 8.197 -12.210 -4.903 1.00 0.22 H new ATOM 0 HB3 ASP A 792 9.592 -11.227 -4.502 1.00 0.22 H new ATOM 285 N ASP A 793 6.211 -10.675 -5.165 1.00 0.17 N ATOM 286 CA ASP A 793 5.370 -10.033 -6.169 1.00 0.18 C ATOM 287 C ASP A 793 4.504 -8.959 -5.525 1.00 0.17 C ATOM 288 O ASP A 793 4.191 -7.942 -6.144 1.00 0.24 O ATOM 289 CB ASP A 793 4.483 -11.068 -6.866 1.00 0.19 C ATOM 290 CG ASP A 793 4.393 -10.841 -8.362 1.00 0.56 C ATOM 291 OD1 ASP A 793 5.437 -10.544 -8.981 1.00 1.04 O ATOM 292 OD2 ASP A 793 3.280 -10.960 -8.916 1.00 1.07 O ATOM 0 H ASP A 793 6.120 -11.690 -5.124 1.00 0.17 H new ATOM 0 HA ASP A 793 6.017 -9.568 -6.912 1.00 0.18 H new ATOM 0 HB2 ASP A 793 4.877 -12.066 -6.676 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.482 -11.033 -6.435 1.00 0.19 H new ATOM 297 N LEU A 794 4.130 -9.192 -4.271 1.00 0.14 N ATOM 298 CA LEU A 794 3.311 -8.247 -3.527 1.00 0.15 C ATOM 299 C LEU A 794 4.062 -6.941 -3.317 1.00 0.15 C ATOM 300 O LEU A 794 3.559 -5.863 -3.630 1.00 0.17 O ATOM 301 CB LEU A 794 2.909 -8.832 -2.168 1.00 0.19 C ATOM 302 CG LEU A 794 1.814 -8.060 -1.439 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.517 -8.074 -2.242 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.591 -8.632 -0.049 1.00 0.70 C ATOM 0 H LEU A 794 4.383 -10.031 -3.749 1.00 0.14 H new ATOM 0 HA LEU A 794 2.410 -8.052 -4.109 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.574 -9.859 -2.315 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.792 -8.873 -1.530 1.00 0.19 H new ATOM 0 HG LEU A 794 2.138 -7.024 -1.335 1.00 0.26 H new ATOM 0 HD11 LEU A 794 -0.250 -7.518 -1.704 1.00 0.93 H new ATOM 0 HD12 LEU A 794 0.686 -7.611 -3.214 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.187 -9.103 -2.383 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.806 -8.068 0.455 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.292 -9.677 -0.129 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.514 -8.562 0.526 1.00 0.70 H new ATOM 316 N ILE A 795 5.271 -7.052 -2.777 1.00 0.19 N ATOM 317 CA ILE A 795 6.104 -5.888 -2.514 1.00 0.22 C ATOM 318 C ILE A 795 6.400 -5.110 -3.792 1.00 0.21 C ATOM 319 O ILE A 795 6.560 -3.895 -3.755 1.00 0.23 O ATOM 320 CB ILE A 795 7.424 -6.293 -1.832 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.161 -6.762 -0.395 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.426 -5.146 -1.843 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.430 -5.745 0.458 1.00 0.32 C ATOM 0 H ILE A 795 5.696 -7.941 -2.513 1.00 0.19 H new ATOM 0 HA ILE A 795 5.543 -5.241 -1.840 1.00 0.22 H new ATOM 0 HB ILE A 795 7.855 -7.119 -2.398 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.579 -7.683 -0.425 1.00 0.30 H new ATOM 0 HG13 ILE A 795 8.113 -7.002 0.079 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.347 -5.463 -1.354 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.641 -4.861 -2.873 1.00 0.28 H new ATOM 0 HG23 ILE A 795 8.008 -4.292 -1.310 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.281 -6.150 1.459 1.00 0.32 H new ATOM 0 HD12 ILE A 795 7.020 -4.831 0.520 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.462 -5.522 0.009 1.00 0.32 H new ATOM 335 N MET A 796 6.467 -5.807 -4.922 1.00 0.23 N ATOM 336 CA MET A 796 6.740 -5.151 -6.198 1.00 0.26 C ATOM 337 C MET A 796 5.567 -4.270 -6.614 1.00 0.23 C ATOM 338 O MET A 796 5.740 -3.081 -6.881 1.00 0.22 O ATOM 339 CB MET A 796 7.026 -6.185 -7.290 1.00 0.36 C ATOM 340 CG MET A 796 7.914 -7.326 -6.831 1.00 0.46 C ATOM 341 SD MET A 796 8.710 -8.184 -8.203 1.00 0.67 S ATOM 342 CE MET A 796 10.309 -8.556 -7.488 1.00 1.53 C ATOM 0 H MET A 796 6.337 -6.817 -4.982 1.00 0.23 H new ATOM 0 HA MET A 796 7.622 -4.524 -6.069 1.00 0.26 H new ATOM 0 HB2 MET A 796 6.081 -6.593 -7.648 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.499 -5.686 -8.136 1.00 0.36 H new ATOM 0 HG2 MET A 796 8.679 -6.938 -6.158 1.00 0.46 H new ATOM 0 HG3 MET A 796 7.318 -8.038 -6.260 1.00 0.46 H new ATOM 0 HE1 MET A 796 10.919 -9.088 -8.218 1.00 1.53 H new ATOM 0 HE2 MET A 796 10.807 -7.628 -7.207 1.00 1.53 H new ATOM 0 HE3 MET A 796 10.176 -9.179 -6.603 1.00 1.53 H new ATOM 352 N ALA A 797 4.371 -4.857 -6.656 1.00 0.26 N ATOM 353 CA ALA A 797 3.172 -4.115 -7.028 1.00 0.30 C ATOM 354 C ALA A 797 3.037 -2.865 -6.169 1.00 0.28 C ATOM 355 O ALA A 797 2.845 -1.761 -6.679 1.00 0.30 O ATOM 356 CB ALA A 797 1.939 -4.997 -6.892 1.00 0.38 C ATOM 0 H ALA A 797 4.209 -5.840 -6.438 1.00 0.26 H new ATOM 0 HA ALA A 797 3.260 -3.808 -8.070 1.00 0.30 H new ATOM 0 HB1 ALA A 797 1.052 -4.429 -7.173 1.00 0.38 H new ATOM 0 HB2 ALA A 797 2.037 -5.863 -7.546 1.00 0.38 H new ATOM 0 HB3 ALA A 797 1.843 -5.331 -5.859 1.00 0.38 H new ATOM 362 N ILE A 798 3.159 -3.052 -4.859 1.00 0.27 N ATOM 363 CA ILE A 798 3.072 -1.948 -3.918 1.00 0.31 C ATOM 364 C ILE A 798 4.169 -0.927 -4.189 1.00 0.29 C ATOM 365 O ILE A 798 3.901 0.264 -4.342 1.00 0.33 O ATOM 366 CB ILE A 798 3.200 -2.443 -2.470 1.00 0.35 C ATOM 367 CG1 ILE A 798 1.984 -3.292 -2.095 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.366 -1.266 -1.517 1.00 0.42 C ATOM 369 CD1 ILE A 798 2.012 -3.804 -0.669 1.00 0.50 C ATOM 0 H ILE A 798 3.319 -3.962 -4.427 1.00 0.27 H new ATOM 0 HA ILE A 798 2.095 -1.482 -4.051 1.00 0.31 H new ATOM 0 HB ILE A 798 4.090 -3.067 -2.386 1.00 0.35 H new ATOM 0 HG12 ILE A 798 1.080 -2.700 -2.241 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.922 -4.142 -2.775 1.00 0.40 H new ATOM 0 HG21 ILE A 798 3.455 -1.635 -0.495 1.00 0.42 H new ATOM 0 HG22 ILE A 798 4.264 -0.708 -1.781 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.497 -0.612 -1.592 1.00 0.42 H new ATOM 0 HD11 ILE A 798 1.118 -4.397 -0.478 1.00 0.50 H new ATOM 0 HD12 ILE A 798 2.897 -4.424 -0.522 1.00 0.50 H new ATOM 0 HD13 ILE A 798 2.042 -2.960 0.020 1.00 0.50 H new ATOM 381 N ASN A 799 5.407 -1.413 -4.241 1.00 0.25 N ATOM 382 CA ASN A 799 6.564 -0.560 -4.488 1.00 0.29 C ATOM 383 C ASN A 799 6.370 0.301 -5.733 1.00 0.27 C ATOM 384 O ASN A 799 6.990 1.355 -5.870 1.00 0.36 O ATOM 385 CB ASN A 799 7.827 -1.407 -4.632 1.00 0.30 C ATOM 386 CG ASN A 799 9.025 -0.786 -3.941 1.00 0.38 C ATOM 387 OD1 ASN A 799 8.905 -0.558 -2.638 1.00 0.81 O flip ATOM 388 ND2 ASN A 799 10.049 -0.516 -4.570 1.00 0.78 N flip ATOM 0 H ASN A 799 5.634 -2.399 -4.114 1.00 0.25 H new ATOM 0 HA ASN A 799 6.672 0.105 -3.631 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.645 -2.398 -4.216 1.00 0.30 H new ATOM 0 HB3 ASN A 799 8.051 -1.542 -5.690 1.00 0.30 H new ATOM 0 HD21 ASN A 799 10.098 -0.708 -5.571 1.00 0.78 H new ATOM 0 HD22 ASN A 799 10.848 -0.101 -4.090 1.00 0.78 H new ATOM 395 N SER A 800 5.508 -0.152 -6.635 1.00 0.22 N ATOM 396 CA SER A 800 5.236 0.584 -7.864 1.00 0.25 C ATOM 397 C SER A 800 4.230 1.701 -7.611 1.00 0.28 C ATOM 398 O SER A 800 4.295 2.762 -8.232 1.00 0.33 O ATOM 399 CB SER A 800 4.704 -0.362 -8.941 1.00 0.28 C ATOM 400 OG SER A 800 5.349 -0.137 -10.184 1.00 0.98 O ATOM 0 H SER A 800 4.986 -1.023 -6.539 1.00 0.22 H new ATOM 0 HA SER A 800 6.169 1.028 -8.210 1.00 0.25 H new ATOM 0 HB2 SER A 800 4.858 -1.395 -8.630 1.00 0.28 H new ATOM 0 HB3 SER A 800 3.629 -0.220 -9.055 1.00 0.28 H new ATOM 0 HG SER A 800 4.992 -0.756 -10.855 1.00 0.98 H new ATOM 406 N LYS A 801 3.297 1.451 -6.697 1.00 0.30 N ATOM 407 CA LYS A 801 2.270 2.431 -6.362 1.00 0.37 C ATOM 408 C LYS A 801 2.671 3.268 -5.149 1.00 0.40 C ATOM 409 O LYS A 801 1.892 4.094 -4.671 1.00 0.49 O ATOM 410 CB LYS A 801 0.941 1.726 -6.090 1.00 0.42 C ATOM 411 CG LYS A 801 -0.081 1.906 -7.200 1.00 0.67 C ATOM 412 CD LYS A 801 -0.014 0.768 -8.205 1.00 1.05 C ATOM 413 CE LYS A 801 -0.879 1.048 -9.422 1.00 1.43 C ATOM 414 NZ LYS A 801 -2.242 0.465 -9.281 1.00 2.25 N ATOM 0 H LYS A 801 3.231 0.577 -6.175 1.00 0.30 H new ATOM 0 HA LYS A 801 2.158 3.102 -7.214 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.126 0.661 -5.947 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.523 2.104 -5.157 1.00 0.42 H new ATOM 0 HG2 LYS A 801 -1.082 1.956 -6.771 1.00 0.67 H new ATOM 0 HG3 LYS A 801 0.095 2.854 -7.709 1.00 0.67 H new ATOM 0 HD2 LYS A 801 1.019 0.618 -8.518 1.00 1.05 H new ATOM 0 HD3 LYS A 801 -0.340 -0.157 -7.731 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -0.958 2.125 -9.571 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -0.399 0.638 -10.311 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -2.801 0.678 -10.132 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 -2.168 -0.566 -9.165 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -2.710 0.875 -8.448 1.00 2.25 H new ATOM 428 N ILE A 802 3.886 3.052 -4.649 1.00 0.39 N ATOM 429 CA ILE A 802 4.371 3.793 -3.488 1.00 0.45 C ATOM 430 C ILE A 802 5.692 4.499 -3.780 1.00 0.50 C ATOM 431 O ILE A 802 5.945 5.592 -3.273 1.00 0.60 O ATOM 432 CB ILE A 802 4.555 2.872 -2.264 1.00 0.47 C ATOM 433 CG1 ILE A 802 5.628 1.823 -2.537 1.00 0.42 C ATOM 434 CG2 ILE A 802 3.239 2.209 -1.894 1.00 0.49 C ATOM 435 CD1 ILE A 802 6.791 1.883 -1.573 1.00 0.75 C ATOM 0 H ILE A 802 4.548 2.375 -5.027 1.00 0.39 H new ATOM 0 HA ILE A 802 3.610 4.541 -3.263 1.00 0.45 H new ATOM 0 HB ILE A 802 4.881 3.482 -1.421 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.177 0.832 -2.488 1.00 0.42 H new ATOM 0 HG13 ILE A 802 6.002 1.953 -3.553 1.00 0.42 H new ATOM 0 HG21 ILE A 802 3.388 1.563 -1.029 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.501 2.974 -1.653 1.00 0.49 H new ATOM 0 HG23 ILE A 802 2.883 1.613 -2.734 1.00 0.49 H new ATOM 0 HD11 ILE A 802 7.515 1.109 -1.827 1.00 0.75 H new ATOM 0 HD12 ILE A 802 7.268 2.861 -1.639 1.00 0.75 H new ATOM 0 HD13 ILE A 802 6.430 1.723 -0.557 1.00 0.75 H new ATOM 447 N SER A 803 6.535 3.869 -4.591 1.00 0.45 N ATOM 448 CA SER A 803 7.832 4.441 -4.936 1.00 0.53 C ATOM 449 C SER A 803 8.121 4.286 -6.426 1.00 0.61 C ATOM 450 O SER A 803 8.840 3.377 -6.840 1.00 1.19 O ATOM 451 CB SER A 803 8.941 3.779 -4.115 1.00 0.60 C ATOM 452 OG SER A 803 8.862 2.366 -4.195 1.00 1.53 O ATOM 0 H SER A 803 6.344 2.964 -5.021 1.00 0.45 H new ATOM 0 HA SER A 803 7.803 5.505 -4.702 1.00 0.53 H new ATOM 0 HB2 SER A 803 9.914 4.113 -4.476 1.00 0.60 H new ATOM 0 HB3 SER A 803 8.863 4.092 -3.074 1.00 0.60 H new ATOM 0 HG SER A 803 8.235 2.113 -4.904 1.00 1.53 H new ATOM 458 N ASN A 804 7.558 5.188 -7.224 1.00 0.84 N ATOM 459 CA ASN A 804 7.756 5.163 -8.669 1.00 0.93 C ATOM 460 C ASN A 804 9.005 5.946 -9.056 1.00 1.53 C ATOM 461 O ASN A 804 9.130 7.128 -8.732 1.00 2.42 O ATOM 462 CB ASN A 804 6.533 5.746 -9.381 1.00 1.40 C ATOM 463 CG ASN A 804 6.265 5.081 -10.716 1.00 2.04 C ATOM 464 OD1 ASN A 804 7.083 4.306 -11.214 1.00 2.43 O ATOM 465 ND2 ASN A 804 5.114 5.380 -11.304 1.00 2.83 N ATOM 0 H ASN A 804 6.961 5.946 -6.894 1.00 0.84 H new ATOM 0 HA ASN A 804 7.887 4.126 -8.978 1.00 0.93 H new ATOM 0 HB2 ASN A 804 5.657 5.635 -8.741 1.00 1.40 H new ATOM 0 HB3 ASN A 804 6.682 6.815 -9.535 1.00 1.40 H new ATOM 0 HD21 ASN A 804 4.878 4.963 -12.204 1.00 2.83 H new ATOM 0 HD22 ASN A 804 4.465 6.027 -10.856 1.00 2.83 H new ATOM 472 N THR A 805 9.930 5.277 -9.742 1.00 1.86 N ATOM 473 CA THR A 805 11.178 5.904 -10.172 1.00 2.72 C ATOM 474 C THR A 805 12.016 6.345 -8.976 1.00 3.19 C ATOM 475 O THR A 805 11.546 6.338 -7.838 1.00 3.83 O ATOM 476 CB THR A 805 10.918 7.123 -11.079 1.00 3.49 C ATOM 477 OG1 THR A 805 9.653 6.987 -11.737 1.00 3.73 O ATOM 478 CG2 THR A 805 12.020 7.271 -12.117 1.00 4.20 C ATOM 0 H THR A 805 9.838 4.298 -10.013 1.00 1.86 H new ATOM 0 HA THR A 805 11.726 5.151 -10.739 1.00 2.72 H new ATOM 0 HB THR A 805 10.907 8.015 -10.453 1.00 3.49 H new ATOM 0 HG1 THR A 805 9.496 7.767 -12.309 1.00 3.73 H new ATOM 0 HG21 THR A 805 11.814 8.138 -12.745 1.00 4.20 H new ATOM 0 HG22 THR A 805 12.978 7.406 -11.614 1.00 4.20 H new ATOM 0 HG23 THR A 805 12.059 6.375 -12.737 1.00 4.20 H new ATOM 486 N HIS A 806 13.261 6.728 -9.240 1.00 3.41 N ATOM 487 CA HIS A 806 14.162 7.171 -8.183 1.00 4.17 C ATOM 488 C HIS A 806 13.881 8.622 -7.809 1.00 4.02 C ATOM 489 O HIS A 806 13.486 8.914 -6.680 1.00 4.30 O ATOM 490 CB HIS A 806 15.619 7.019 -8.625 1.00 5.13 C ATOM 491 CG HIS A 806 16.556 6.732 -7.493 1.00 6.08 C ATOM 492 ND1 HIS A 806 16.528 7.421 -6.298 1.00 6.75 N ATOM 493 CD2 HIS A 806 17.554 5.823 -7.377 1.00 6.77 C ATOM 494 CE1 HIS A 806 17.465 6.947 -5.497 1.00 7.67 C ATOM 495 NE2 HIS A 806 18.102 5.977 -6.128 1.00 7.69 N ATOM 0 H HIS A 806 13.668 6.740 -10.175 1.00 3.41 H new ATOM 0 HA HIS A 806 13.991 6.546 -7.307 1.00 4.17 H new ATOM 0 HB2 HIS A 806 15.687 6.214 -9.357 1.00 5.13 H new ATOM 0 HB3 HIS A 806 15.936 7.933 -9.127 1.00 5.13 H new ATOM 0 HD2 HIS A 806 17.861 5.110 -8.128 1.00 6.77 H new ATOM 0 HE1 HIS A 806 17.675 7.294 -4.496 1.00 7.67 H new ATOM 0 HE2 HIS A 806 18.876 5.431 -5.749 1.00 7.69 H new ATOM 504 N ASN A 807 14.088 9.524 -8.764 1.00 4.10 N ATOM 505 CA ASN A 807 13.857 10.948 -8.540 1.00 4.41 C ATOM 506 C ASN A 807 14.623 11.438 -7.315 1.00 4.33 C ATOM 507 O ASN A 807 14.058 11.565 -6.229 1.00 4.37 O ATOM 508 CB ASN A 807 12.362 11.223 -8.366 1.00 4.84 C ATOM 509 CG ASN A 807 11.962 12.594 -8.874 1.00 5.63 C ATOM 510 OD1 ASN A 807 11.793 12.798 -10.076 1.00 6.02 O ATOM 511 ND2 ASN A 807 11.808 13.544 -7.959 1.00 6.22 N ATOM 0 H ASN A 807 14.416 9.294 -9.702 1.00 4.10 H new ATOM 0 HA ASN A 807 14.219 11.491 -9.413 1.00 4.41 H new ATOM 0 HB2 ASN A 807 11.791 10.461 -8.897 1.00 4.84 H new ATOM 0 HB3 ASN A 807 12.101 11.139 -7.311 1.00 4.84 H new ATOM 0 HD21 ASN A 807 11.539 14.486 -8.242 1.00 6.22 H new ATOM 0 HD22 ASN A 807 11.958 13.331 -6.973 1.00 6.22 H new ATOM 518 N ASN A 808 15.913 11.708 -7.502 1.00 4.61 N ATOM 519 CA ASN A 808 16.769 12.183 -6.418 1.00 4.89 C ATOM 520 C ASN A 808 16.854 11.153 -5.294 1.00 4.54 C ATOM 521 O ASN A 808 17.775 10.337 -5.260 1.00 4.85 O ATOM 522 CB ASN A 808 16.249 13.517 -5.873 1.00 5.45 C ATOM 523 CG ASN A 808 16.330 14.631 -6.898 1.00 6.15 C ATOM 524 OD1 ASN A 808 15.332 15.278 -7.210 1.00 6.37 O ATOM 525 ND2 ASN A 808 17.525 14.859 -7.429 1.00 6.83 N ATOM 0 H ASN A 808 16.390 11.605 -8.398 1.00 4.61 H new ATOM 0 HA ASN A 808 17.771 12.332 -6.821 1.00 4.89 H new ATOM 0 HB2 ASN A 808 15.214 13.397 -5.552 1.00 5.45 H new ATOM 0 HB3 ASN A 808 16.826 13.796 -4.991 1.00 5.45 H new ATOM 0 HD21 ASN A 808 17.642 15.595 -8.125 1.00 6.83 H new ATOM 0 HD22 ASN A 808 18.327 14.298 -7.141 1.00 6.83 H new ATOM 532 N ASN A 809 15.890 11.194 -4.377 1.00 4.24 N ATOM 533 CA ASN A 809 15.861 10.260 -3.256 1.00 4.01 C ATOM 534 C ASN A 809 14.427 9.935 -2.851 1.00 3.02 C ATOM 535 O ASN A 809 13.546 10.791 -2.907 1.00 3.13 O ATOM 536 CB ASN A 809 16.619 10.842 -2.062 1.00 4.74 C ATOM 537 CG ASN A 809 16.680 9.876 -0.894 1.00 5.63 C ATOM 538 OD1 ASN A 809 16.890 8.677 -1.075 1.00 5.91 O ATOM 539 ND2 ASN A 809 16.494 10.395 0.315 1.00 6.41 N ATOM 0 H ASN A 809 15.120 11.863 -4.389 1.00 4.24 H new ATOM 0 HA ASN A 809 16.346 9.337 -3.574 1.00 4.01 H new ATOM 0 HB2 ASN A 809 17.632 11.102 -2.369 1.00 4.74 H new ATOM 0 HB3 ASN A 809 16.136 11.765 -1.742 1.00 4.74 H new ATOM 0 HD21 ASN A 809 16.523 9.793 1.138 1.00 6.41 H new ATOM 0 HD22 ASN A 809 16.323 11.395 0.420 1.00 6.41 H new ATOM 546 N ILE A 810 14.205 8.691 -2.438 1.00 2.60 N ATOM 547 CA ILE A 810 12.881 8.247 -2.016 1.00 2.14 C ATOM 548 C ILE A 810 12.969 7.375 -0.767 1.00 1.67 C ATOM 549 O ILE A 810 14.060 7.106 -0.264 1.00 2.29 O ATOM 550 CB ILE A 810 12.169 7.458 -3.134 1.00 3.00 C ATOM 551 CG1 ILE A 810 13.159 6.540 -3.851 1.00 3.79 C ATOM 552 CG2 ILE A 810 11.511 8.411 -4.120 1.00 3.71 C ATOM 553 CD1 ILE A 810 12.637 5.135 -4.065 1.00 4.78 C ATOM 0 H ILE A 810 14.926 7.972 -2.387 1.00 2.60 H new ATOM 0 HA ILE A 810 12.302 9.143 -1.791 1.00 2.14 H new ATOM 0 HB ILE A 810 11.392 6.841 -2.683 1.00 3.00 H new ATOM 0 HG12 ILE A 810 13.411 6.976 -4.818 1.00 3.79 H new ATOM 0 HG13 ILE A 810 14.081 6.492 -3.272 1.00 3.79 H new ATOM 0 HG21 ILE A 810 11.013 7.838 -4.902 1.00 3.71 H new ATOM 0 HG22 ILE A 810 10.778 9.026 -3.598 1.00 3.71 H new ATOM 0 HG23 ILE A 810 12.270 9.053 -4.567 1.00 3.71 H new ATOM 0 HD11 ILE A 810 13.392 4.541 -4.579 1.00 4.78 H new ATOM 0 HD12 ILE A 810 12.411 4.680 -3.101 1.00 4.78 H new ATOM 0 HD13 ILE A 810 11.731 5.172 -4.670 1.00 4.78 H new ATOM 565 N SER A 811 11.816 6.939 -0.270 1.00 1.31 N ATOM 566 CA SER A 811 11.768 6.101 0.922 1.00 0.97 C ATOM 567 C SER A 811 10.760 4.964 0.759 1.00 0.83 C ATOM 568 O SER A 811 9.595 5.099 1.132 1.00 0.94 O ATOM 569 CB SER A 811 11.410 6.944 2.148 1.00 1.31 C ATOM 570 OG SER A 811 12.575 7.433 2.789 1.00 1.80 O ATOM 0 H SER A 811 10.904 7.152 -0.674 1.00 1.31 H new ATOM 0 HA SER A 811 12.756 5.663 1.063 1.00 0.97 H new ATOM 0 HB2 SER A 811 10.779 7.780 1.847 1.00 1.31 H new ATOM 0 HB3 SER A 811 10.830 6.344 2.849 1.00 1.31 H new ATOM 0 HG SER A 811 12.319 7.970 3.568 1.00 1.80 H new ATOM 576 N PRO A 812 11.199 3.818 0.203 1.00 0.70 N ATOM 577 CA PRO A 812 10.328 2.655 0.001 1.00 0.66 C ATOM 578 C PRO A 812 9.974 1.971 1.316 1.00 0.62 C ATOM 579 O PRO A 812 10.322 2.456 2.392 1.00 0.73 O ATOM 580 CB PRO A 812 11.172 1.729 -0.876 1.00 0.70 C ATOM 581 CG PRO A 812 12.581 2.089 -0.558 1.00 0.95 C ATOM 582 CD PRO A 812 12.576 3.564 -0.264 1.00 0.77 C ATOM 0 HA PRO A 812 9.372 2.929 -0.446 1.00 0.66 H new ATOM 0 HB2 PRO A 812 10.971 0.681 -0.654 1.00 0.70 H new ATOM 0 HB3 PRO A 812 10.954 1.878 -1.934 1.00 0.70 H new ATOM 0 HG2 PRO A 812 12.945 1.522 0.299 1.00 0.95 H new ATOM 0 HG3 PRO A 812 13.241 1.860 -1.395 1.00 0.95 H new ATOM 0 HD2 PRO A 812 13.312 3.824 0.497 1.00 0.77 H new ATOM 0 HD3 PRO A 812 12.814 4.151 -1.151 1.00 0.77 H new ATOM 590 N ILE A 813 9.281 0.839 1.224 1.00 0.62 N ATOM 591 CA ILE A 813 8.882 0.091 2.411 1.00 0.61 C ATOM 592 C ILE A 813 8.844 -1.408 2.135 1.00 0.59 C ATOM 593 O ILE A 813 8.390 -1.843 1.077 1.00 0.75 O ATOM 594 CB ILE A 813 7.499 0.541 2.924 1.00 0.70 C ATOM 595 CG1 ILE A 813 6.571 0.863 1.751 1.00 1.22 C ATOM 596 CG2 ILE A 813 7.641 1.747 3.842 1.00 1.05 C ATOM 597 CD1 ILE A 813 5.105 0.877 2.124 1.00 1.94 C ATOM 0 H ILE A 813 8.985 0.421 0.342 1.00 0.62 H new ATOM 0 HA ILE A 813 9.631 0.297 3.176 1.00 0.61 H new ATOM 0 HB ILE A 813 7.058 -0.276 3.495 1.00 0.70 H new ATOM 0 HG12 ILE A 813 6.842 1.836 1.341 1.00 1.22 H new ATOM 0 HG13 ILE A 813 6.729 0.129 0.961 1.00 1.22 H new ATOM 0 HG21 ILE A 813 6.656 2.053 4.196 1.00 1.05 H new ATOM 0 HG22 ILE A 813 8.267 1.484 4.694 1.00 1.05 H new ATOM 0 HG23 ILE A 813 8.101 2.569 3.294 1.00 1.05 H new ATOM 0 HD11 ILE A 813 4.508 1.112 1.243 1.00 1.94 H new ATOM 0 HD12 ILE A 813 4.817 -0.102 2.506 1.00 1.94 H new ATOM 0 HD13 ILE A 813 4.932 1.631 2.892 1.00 1.94 H new ATOM 609 N THR A 814 9.323 -2.191 3.096 1.00 0.49 N ATOM 610 CA THR A 814 9.347 -3.643 2.966 1.00 0.49 C ATOM 611 C THR A 814 8.416 -4.300 3.980 1.00 0.47 C ATOM 612 O THR A 814 7.642 -5.195 3.638 1.00 0.54 O ATOM 613 CB THR A 814 10.770 -4.201 3.155 1.00 0.53 C ATOM 614 OG1 THR A 814 11.227 -3.936 4.486 1.00 1.16 O ATOM 615 CG2 THR A 814 11.731 -3.580 2.152 1.00 1.07 C ATOM 0 H THR A 814 9.701 -1.842 3.977 1.00 0.49 H new ATOM 0 HA THR A 814 9.005 -3.876 1.958 1.00 0.49 H new ATOM 0 HB THR A 814 10.740 -5.278 2.989 1.00 0.53 H new ATOM 0 HG1 THR A 814 12.132 -4.295 4.599 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.730 -3.989 2.304 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.397 -3.806 1.140 1.00 1.07 H new ATOM 0 HG23 THR A 814 11.756 -2.499 2.293 1.00 1.07 H new ATOM 623 N LYS A 815 8.499 -3.849 5.227 1.00 0.42 N ATOM 624 CA LYS A 815 7.665 -4.390 6.295 1.00 0.42 C ATOM 625 C LYS A 815 6.463 -3.486 6.557 1.00 0.40 C ATOM 626 O LYS A 815 6.614 -2.284 6.772 1.00 0.48 O ATOM 627 CB LYS A 815 8.485 -4.555 7.579 1.00 0.49 C ATOM 628 CG LYS A 815 9.143 -5.920 7.709 1.00 0.89 C ATOM 629 CD LYS A 815 10.307 -5.886 8.685 1.00 1.30 C ATOM 630 CE LYS A 815 11.227 -7.082 8.500 1.00 1.97 C ATOM 631 NZ LYS A 815 12.575 -6.845 9.085 1.00 2.69 N ATOM 0 H LYS A 815 9.136 -3.110 5.524 1.00 0.42 H new ATOM 0 HA LYS A 815 7.300 -5.367 5.978 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.256 -3.785 7.610 1.00 0.49 H new ATOM 0 HB3 LYS A 815 7.836 -4.390 8.439 1.00 0.49 H new ATOM 0 HG2 LYS A 815 8.406 -6.650 8.045 1.00 0.89 H new ATOM 0 HG3 LYS A 815 9.496 -6.250 6.732 1.00 0.89 H new ATOM 0 HD2 LYS A 815 10.873 -4.965 8.545 1.00 1.30 H new ATOM 0 HD3 LYS A 815 9.926 -5.874 9.706 1.00 1.30 H new ATOM 0 HE2 LYS A 815 10.779 -7.960 8.966 1.00 1.97 H new ATOM 0 HE3 LYS A 815 11.327 -7.302 7.437 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 13.170 -7.685 8.937 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 13.014 -6.023 8.623 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 12.484 -6.661 10.104 1.00 2.69 H new ATOM 645 N ILE A 816 5.270 -4.075 6.536 1.00 0.36 N ATOM 646 CA ILE A 816 4.039 -3.324 6.768 1.00 0.38 C ATOM 647 C ILE A 816 2.939 -4.224 7.322 1.00 0.33 C ATOM 648 O ILE A 816 3.090 -5.445 7.372 1.00 0.37 O ATOM 649 CB ILE A 816 3.531 -2.651 5.476 1.00 0.41 C ATOM 650 CG1 ILE A 816 3.987 -3.439 4.245 1.00 0.59 C ATOM 651 CG2 ILE A 816 4.018 -1.213 5.398 1.00 0.84 C ATOM 652 CD1 ILE A 816 3.130 -4.652 3.951 1.00 0.53 C ATOM 0 H ILE A 816 5.130 -5.070 6.361 1.00 0.36 H new ATOM 0 HA ILE A 816 4.279 -2.552 7.499 1.00 0.38 H new ATOM 0 HB ILE A 816 2.441 -2.645 5.497 1.00 0.41 H new ATOM 0 HG12 ILE A 816 3.978 -2.779 3.378 1.00 0.59 H new ATOM 0 HG13 ILE A 816 5.018 -3.760 4.391 1.00 0.59 H new ATOM 0 HG21 ILE A 816 3.650 -0.754 4.480 1.00 0.84 H new ATOM 0 HG22 ILE A 816 3.645 -0.656 6.257 1.00 0.84 H new ATOM 0 HG23 ILE A 816 5.108 -1.197 5.400 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.512 -5.161 3.066 1.00 0.53 H new ATOM 0 HD12 ILE A 816 3.159 -5.333 4.802 1.00 0.53 H new ATOM 0 HD13 ILE A 816 2.102 -4.337 3.773 1.00 0.53 H new ATOM 664 N LYS A 817 1.832 -3.613 7.734 1.00 0.32 N ATOM 665 CA LYS A 817 0.703 -4.357 8.283 1.00 0.31 C ATOM 666 C LYS A 817 -0.402 -4.511 7.243 1.00 0.32 C ATOM 667 O LYS A 817 -0.313 -3.960 6.146 1.00 0.59 O ATOM 668 CB LYS A 817 0.151 -3.650 9.523 1.00 0.37 C ATOM 669 CG LYS A 817 1.202 -3.390 10.589 1.00 0.39 C ATOM 670 CD LYS A 817 0.886 -4.132 11.877 1.00 0.38 C ATOM 671 CE LYS A 817 1.729 -3.624 13.034 1.00 0.50 C ATOM 672 NZ LYS A 817 0.985 -3.662 14.324 1.00 0.85 N ATOM 0 H LYS A 817 1.693 -2.603 7.698 1.00 0.32 H new ATOM 0 HA LYS A 817 1.058 -5.348 8.565 1.00 0.31 H new ATOM 0 HB2 LYS A 817 -0.294 -2.701 9.223 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.648 -4.255 9.951 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.180 -3.700 10.220 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.261 -2.320 10.790 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.171 -4.014 12.116 1.00 0.38 H new ATOM 0 HD3 LYS A 817 1.064 -5.198 11.737 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.632 -4.229 13.118 1.00 0.50 H new ATOM 0 HE3 LYS A 817 2.048 -2.602 12.829 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 1.577 -3.260 15.078 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 0.111 -3.106 14.237 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 0.747 -4.647 14.559 1.00 0.85 H new ATOM 686 N TYR A 818 -1.442 -5.261 7.597 1.00 0.23 N ATOM 687 CA TYR A 818 -2.563 -5.481 6.691 1.00 0.22 C ATOM 688 C TYR A 818 -3.878 -5.581 7.459 1.00 0.23 C ATOM 689 O TYR A 818 -3.891 -5.902 8.646 1.00 0.31 O ATOM 690 CB TYR A 818 -2.337 -6.744 5.854 1.00 0.26 C ATOM 691 CG TYR A 818 -2.380 -8.032 6.646 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.302 -8.419 7.433 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.499 -8.856 6.615 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.337 -9.590 8.165 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.541 -10.028 7.347 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.461 -10.412 8.083 1.00 0.56 C ATOM 697 OH TYR A 818 -2.498 -11.557 8.849 1.00 0.71 O ATOM 0 H TYR A 818 -1.531 -5.725 8.501 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.626 -4.624 6.020 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -3.094 -6.787 5.071 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.369 -6.668 5.358 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.422 -7.794 7.473 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -4.349 -8.576 6.010 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.503 -9.866 8.794 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -4.431 -10.640 7.335 1.00 0.51 H new ATOM 0 HH TYR A 818 -3.342 -12.030 8.690 1.00 0.71 H new ATOM 707 N GLN A 819 -4.980 -5.303 6.769 1.00 0.27 N ATOM 708 CA GLN A 819 -6.301 -5.355 7.376 1.00 0.34 C ATOM 709 C GLN A 819 -6.870 -6.762 7.298 1.00 0.40 C ATOM 710 O GLN A 819 -7.279 -7.227 6.234 1.00 0.45 O ATOM 711 CB GLN A 819 -7.247 -4.374 6.685 1.00 0.44 C ATOM 712 CG GLN A 819 -8.404 -3.926 7.564 1.00 0.56 C ATOM 713 CD GLN A 819 -9.753 -4.134 6.903 1.00 1.14 C ATOM 714 OE1 GLN A 819 -9.898 -3.968 5.693 1.00 1.91 O ATOM 715 NE2 GLN A 819 -10.751 -4.499 7.700 1.00 1.44 N ATOM 0 H GLN A 819 -4.981 -5.038 5.784 1.00 0.27 H new ATOM 0 HA GLN A 819 -6.204 -5.073 8.424 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -6.681 -3.498 6.368 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.645 -4.839 5.783 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -8.376 -4.477 8.504 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.282 -2.871 7.809 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -10.586 -4.625 8.699 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -11.682 -4.653 7.313 1.00 1.44 H new ATOM 724 N ASP A 820 -6.889 -7.431 8.439 1.00 0.43 N ATOM 725 CA ASP A 820 -7.403 -8.793 8.522 1.00 0.53 C ATOM 726 C ASP A 820 -8.929 -8.797 8.568 1.00 0.62 C ATOM 727 O ASP A 820 -9.562 -7.742 8.574 1.00 0.65 O ATOM 728 CB ASP A 820 -6.843 -9.500 9.757 1.00 0.58 C ATOM 729 CG ASP A 820 -7.189 -8.784 11.050 1.00 1.13 C ATOM 730 OD1 ASP A 820 -7.738 -7.664 10.984 1.00 1.80 O ATOM 731 OD2 ASP A 820 -6.912 -9.346 12.130 1.00 1.34 O ATOM 0 H ASP A 820 -6.554 -7.053 9.325 1.00 0.43 H new ATOM 0 HA ASP A 820 -7.082 -9.329 7.629 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -7.231 -10.518 9.795 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -5.759 -9.575 9.667 1.00 0.58 H new ATOM 736 N GLU A 821 -9.510 -9.991 8.598 1.00 0.71 N ATOM 737 CA GLU A 821 -10.961 -10.136 8.640 1.00 0.82 C ATOM 738 C GLU A 821 -11.491 -9.945 10.058 1.00 0.83 C ATOM 739 O GLU A 821 -12.646 -10.260 10.346 1.00 0.97 O ATOM 740 CB GLU A 821 -11.373 -11.511 8.110 1.00 0.96 C ATOM 741 CG GLU A 821 -10.686 -12.666 8.820 1.00 1.10 C ATOM 742 CD GLU A 821 -11.670 -13.672 9.386 1.00 1.30 C ATOM 743 OE1 GLU A 821 -12.793 -13.771 8.850 1.00 1.62 O ATOM 744 OE2 GLU A 821 -11.317 -14.359 10.367 1.00 1.53 O ATOM 0 H GLU A 821 -8.998 -10.873 8.594 1.00 0.71 H new ATOM 0 HA GLU A 821 -11.394 -9.363 8.005 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -12.452 -11.622 8.213 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -11.147 -11.564 7.045 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -10.018 -13.170 8.122 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -10.067 -12.275 9.628 1.00 1.10 H new ATOM 751 N ASP A 822 -10.642 -9.425 10.939 1.00 0.79 N ATOM 752 CA ASP A 822 -11.026 -9.190 12.326 1.00 0.81 C ATOM 753 C ASP A 822 -11.386 -7.724 12.546 1.00 0.73 C ATOM 754 O ASP A 822 -11.941 -7.360 13.582 1.00 0.78 O ATOM 755 CB ASP A 822 -9.893 -9.597 13.268 1.00 0.86 C ATOM 756 CG ASP A 822 -10.382 -10.426 14.439 1.00 1.20 C ATOM 757 OD1 ASP A 822 -11.519 -10.192 14.899 1.00 1.65 O ATOM 758 OD2 ASP A 822 -9.627 -11.310 14.896 1.00 1.56 O ATOM 0 H ASP A 822 -9.683 -9.158 10.716 1.00 0.79 H new ATOM 0 HA ASP A 822 -11.903 -9.799 12.544 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -9.148 -10.165 12.711 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -9.397 -8.702 13.643 1.00 0.86 H new ATOM 763 N GLY A 823 -11.065 -6.892 11.560 1.00 0.68 N ATOM 764 CA GLY A 823 -11.362 -5.474 11.660 1.00 0.70 C ATOM 765 C GLY A 823 -10.192 -4.669 12.194 1.00 0.67 C ATOM 766 O GLY A 823 -10.346 -3.497 12.533 1.00 0.88 O ATOM 0 H GLY A 823 -10.605 -7.174 10.694 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -11.641 -5.095 10.677 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -12.224 -5.332 12.312 1.00 0.70 H new ATOM 770 N ASP A 824 -9.022 -5.297 12.269 1.00 0.54 N ATOM 771 CA ASP A 824 -7.831 -4.633 12.763 1.00 0.57 C ATOM 772 C ASP A 824 -6.677 -4.799 11.780 1.00 0.55 C ATOM 773 O ASP A 824 -6.887 -4.975 10.579 1.00 0.93 O ATOM 774 CB ASP A 824 -7.445 -5.195 14.134 1.00 0.65 C ATOM 775 CG ASP A 824 -6.898 -4.130 15.065 1.00 1.15 C ATOM 776 OD1 ASP A 824 -6.263 -3.175 14.568 1.00 1.86 O ATOM 777 OD2 ASP A 824 -7.104 -4.250 16.292 1.00 1.48 O ATOM 0 H ASP A 824 -8.878 -6.268 11.992 1.00 0.54 H new ATOM 0 HA ASP A 824 -8.045 -3.569 12.865 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.318 -5.659 14.592 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -6.698 -5.978 14.005 1.00 0.65 H new ATOM 782 N PHE A 825 -5.460 -4.744 12.301 1.00 0.42 N ATOM 783 CA PHE A 825 -4.265 -4.885 11.480 1.00 0.37 C ATOM 784 C PHE A 825 -3.273 -5.857 12.112 1.00 0.38 C ATOM 785 O PHE A 825 -3.012 -5.800 13.314 1.00 0.44 O ATOM 786 CB PHE A 825 -3.598 -3.523 11.278 1.00 0.39 C ATOM 787 CG PHE A 825 -4.316 -2.640 10.298 1.00 0.41 C ATOM 788 CD1 PHE A 825 -5.388 -1.859 10.702 1.00 0.59 C ATOM 789 CD2 PHE A 825 -3.921 -2.591 8.970 1.00 0.38 C ATOM 790 CE1 PHE A 825 -6.052 -1.047 9.803 1.00 0.64 C ATOM 791 CE2 PHE A 825 -4.581 -1.779 8.066 1.00 0.43 C ATOM 792 CZ PHE A 825 -5.644 -1.002 8.487 1.00 0.52 C ATOM 0 H PHE A 825 -5.273 -4.602 13.294 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.569 -5.285 10.513 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.538 -3.011 12.239 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.575 -3.676 10.934 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -5.708 -1.886 11.733 1.00 0.59 H new ATOM 0 HD2 PHE A 825 -3.089 -3.194 8.638 1.00 0.38 H new ATOM 0 HE1 PHE A 825 -6.889 -0.449 10.131 1.00 0.64 H new ATOM 0 HE2 PHE A 825 -4.267 -1.752 7.033 1.00 0.43 H new ATOM 0 HZ PHE A 825 -6.155 -0.360 7.785 1.00 0.52 H new ATOM 802 N VAL A 826 -2.726 -6.748 11.292 1.00 0.38 N ATOM 803 CA VAL A 826 -1.767 -7.732 11.753 1.00 0.45 C ATOM 804 C VAL A 826 -0.380 -7.447 11.189 1.00 0.36 C ATOM 805 O VAL A 826 -0.215 -6.563 10.349 1.00 0.31 O ATOM 806 CB VAL A 826 -2.196 -9.145 11.341 1.00 0.54 C ATOM 807 CG1 VAL A 826 -1.650 -10.164 12.312 1.00 0.97 C ATOM 808 CG2 VAL A 826 -3.711 -9.246 11.241 1.00 0.79 C ATOM 0 H VAL A 826 -2.937 -6.804 10.296 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.731 -7.669 12.841 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.783 -9.355 10.354 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -1.963 -11.162 12.006 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -0.561 -10.112 12.320 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -2.031 -9.955 13.312 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -3.990 -10.258 10.947 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -4.156 -9.014 12.209 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -4.074 -8.539 10.495 1.00 0.79 H new ATOM 818 N VAL A 827 0.614 -8.198 11.651 1.00 0.37 N ATOM 819 CA VAL A 827 1.984 -8.020 11.187 1.00 0.33 C ATOM 820 C VAL A 827 2.343 -9.056 10.128 1.00 0.30 C ATOM 821 O VAL A 827 2.538 -10.232 10.437 1.00 0.35 O ATOM 822 CB VAL A 827 2.991 -8.119 12.345 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.355 -7.599 11.915 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.484 -7.366 13.565 1.00 0.56 C ATOM 0 H VAL A 827 0.496 -8.935 12.346 1.00 0.37 H new ATOM 0 HA VAL A 827 2.041 -7.022 10.753 1.00 0.33 H new ATOM 0 HB VAL A 827 3.098 -9.169 12.617 1.00 0.41 H new ATOM 0 HG11 VAL A 827 5.053 -7.677 12.748 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.722 -8.191 11.077 1.00 0.52 H new ATOM 0 HG13 VAL A 827 4.268 -6.556 11.612 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.212 -7.449 14.372 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.342 -6.316 13.311 1.00 0.56 H new ATOM 0 HG23 VAL A 827 1.534 -7.793 13.887 1.00 0.56 H new ATOM 834 N LEU A 828 2.434 -8.611 8.878 1.00 0.26 N ATOM 835 CA LEU A 828 2.772 -9.499 7.773 1.00 0.28 C ATOM 836 C LEU A 828 4.276 -9.748 7.723 1.00 0.46 C ATOM 837 O LEU A 828 5.046 -8.881 7.308 1.00 0.60 O ATOM 838 CB LEU A 828 2.295 -8.905 6.445 1.00 0.31 C ATOM 839 CG LEU A 828 2.568 -9.771 5.214 1.00 0.45 C ATOM 840 CD1 LEU A 828 1.430 -10.756 4.994 1.00 0.66 C ATOM 841 CD2 LEU A 828 2.770 -8.900 3.984 1.00 0.81 C ATOM 0 H LEU A 828 2.278 -7.640 8.606 1.00 0.26 H new ATOM 0 HA LEU A 828 2.267 -10.451 7.935 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.223 -8.721 6.511 1.00 0.31 H new ATOM 0 HB3 LEU A 828 2.776 -7.937 6.304 1.00 0.31 H new ATOM 0 HG LEU A 828 3.483 -10.338 5.386 1.00 0.45 H new ATOM 0 HD11 LEU A 828 1.640 -11.364 4.114 1.00 0.66 H new ATOM 0 HD12 LEU A 828 1.334 -11.402 5.867 1.00 0.66 H new ATOM 0 HD13 LEU A 828 0.499 -10.209 4.843 1.00 0.66 H new ATOM 0 HD21 LEU A 828 2.963 -9.533 3.118 1.00 0.81 H new ATOM 0 HD22 LEU A 828 1.873 -8.307 3.807 1.00 0.81 H new ATOM 0 HD23 LEU A 828 3.619 -8.235 4.144 1.00 0.81 H new ATOM 853 N GLY A 829 4.686 -10.938 8.153 1.00 0.58 N ATOM 854 CA GLY A 829 6.096 -11.283 8.155 1.00 0.81 C ATOM 855 C GLY A 829 6.671 -11.403 6.758 1.00 0.49 C ATOM 856 O GLY A 829 7.558 -10.636 6.379 1.00 0.45 O ATOM 0 H GLY A 829 4.066 -11.670 8.500 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.651 -10.525 8.708 1.00 0.81 H new ATOM 0 HA3 GLY A 829 6.234 -12.227 8.683 1.00 0.81 H new ATOM 860 N SER A 830 6.170 -12.367 5.993 1.00 0.35 N ATOM 861 CA SER A 830 6.642 -12.588 4.632 1.00 0.23 C ATOM 862 C SER A 830 5.691 -13.517 3.878 1.00 0.19 C ATOM 863 O SER A 830 4.477 -13.444 4.056 1.00 0.20 O ATOM 864 CB SER A 830 8.057 -13.175 4.654 1.00 0.45 C ATOM 865 OG SER A 830 8.993 -12.275 4.088 1.00 1.31 O ATOM 0 H SER A 830 5.436 -13.008 6.293 1.00 0.35 H new ATOM 0 HA SER A 830 6.668 -11.630 4.113 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.343 -13.403 5.681 1.00 0.45 H new ATOM 0 HB3 SER A 830 8.072 -14.115 4.102 1.00 0.45 H new ATOM 0 HG SER A 830 8.653 -11.946 3.230 1.00 1.31 H new ATOM 871 N ASP A 831 6.249 -14.391 3.043 1.00 0.18 N ATOM 872 CA ASP A 831 5.442 -15.331 2.272 1.00 0.18 C ATOM 873 C ASP A 831 4.625 -16.232 3.194 1.00 0.17 C ATOM 874 O ASP A 831 3.695 -16.907 2.752 1.00 0.22 O ATOM 875 CB ASP A 831 6.337 -16.181 1.367 1.00 0.23 C ATOM 876 CG ASP A 831 5.654 -16.553 0.065 1.00 1.33 C ATOM 877 OD1 ASP A 831 4.848 -15.740 -0.436 1.00 2.20 O ATOM 878 OD2 ASP A 831 5.927 -17.656 -0.455 1.00 1.77 O ATOM 0 H ASP A 831 7.254 -14.467 2.884 1.00 0.18 H new ATOM 0 HA ASP A 831 4.753 -14.757 1.653 1.00 0.18 H new ATOM 0 HB2 ASP A 831 7.254 -15.634 1.150 1.00 0.23 H new ATOM 0 HB3 ASP A 831 6.626 -17.090 1.896 1.00 0.23 H new ATOM 883 N GLU A 832 4.976 -16.235 4.478 1.00 0.18 N ATOM 884 CA GLU A 832 4.272 -17.050 5.461 1.00 0.21 C ATOM 885 C GLU A 832 2.906 -16.453 5.778 1.00 0.19 C ATOM 886 O GLU A 832 1.874 -16.999 5.384 1.00 0.19 O ATOM 887 CB GLU A 832 5.098 -17.175 6.743 1.00 0.26 C ATOM 888 CG GLU A 832 6.584 -17.383 6.494 1.00 0.92 C ATOM 889 CD GLU A 832 7.164 -18.509 7.328 1.00 1.41 C ATOM 890 OE1 GLU A 832 6.554 -18.857 8.362 1.00 1.63 O ATOM 891 OE2 GLU A 832 8.227 -19.043 6.949 1.00 2.21 O ATOM 0 H GLU A 832 5.743 -15.682 4.860 1.00 0.18 H new ATOM 0 HA GLU A 832 4.128 -18.043 5.036 1.00 0.21 H new ATOM 0 HB2 GLU A 832 4.961 -16.275 7.342 1.00 0.26 H new ATOM 0 HB3 GLU A 832 4.717 -18.010 7.331 1.00 0.26 H new ATOM 0 HG2 GLU A 832 6.745 -17.598 5.438 1.00 0.92 H new ATOM 0 HG3 GLU A 832 7.118 -16.459 6.716 1.00 0.92 H new ATOM 898 N ASP A 833 2.904 -15.324 6.481 1.00 0.19 N ATOM 899 CA ASP A 833 1.661 -14.650 6.839 1.00 0.19 C ATOM 900 C ASP A 833 0.930 -14.189 5.588 1.00 0.18 C ATOM 901 O ASP A 833 -0.238 -13.808 5.646 1.00 0.18 O ATOM 902 CB ASP A 833 1.941 -13.457 7.755 1.00 0.22 C ATOM 903 CG ASP A 833 2.050 -13.860 9.213 1.00 0.41 C ATOM 904 OD1 ASP A 833 1.126 -14.534 9.714 1.00 0.73 O ATOM 905 OD2 ASP A 833 3.061 -13.503 9.853 1.00 0.73 O ATOM 0 H ASP A 833 3.748 -14.858 6.813 1.00 0.19 H new ATOM 0 HA ASP A 833 1.029 -15.358 7.374 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.867 -12.974 7.444 1.00 0.22 H new ATOM 0 HB3 ASP A 833 1.144 -12.722 7.643 1.00 0.22 H new ATOM 910 N TRP A 834 1.619 -14.240 4.455 1.00 0.17 N ATOM 911 CA TRP A 834 1.019 -13.842 3.189 1.00 0.17 C ATOM 912 C TRP A 834 0.216 -14.997 2.611 1.00 0.17 C ATOM 913 O TRP A 834 -0.876 -14.804 2.079 1.00 0.19 O ATOM 914 CB TRP A 834 2.095 -13.390 2.199 1.00 0.19 C ATOM 915 CG TRP A 834 1.551 -12.809 0.924 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.130 -12.880 -0.310 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.333 -12.064 0.750 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.358 -12.227 -1.239 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.248 -11.722 -0.614 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.693 -11.655 1.609 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.817 -10.995 -1.135 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.750 -10.932 1.090 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.805 -10.609 -0.271 1.00 0.26 C ATOM 0 H TRP A 834 2.588 -14.551 4.387 1.00 0.17 H new ATOM 0 HA TRP A 834 0.349 -13.001 3.369 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.729 -12.647 2.683 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.730 -14.242 1.956 1.00 0.19 H new ATOM 0 HD1 TRP A 834 3.063 -13.379 -0.525 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.575 -12.133 -2.231 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.659 -11.900 2.660 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.862 -10.744 -2.184 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.547 -10.611 1.745 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.645 -10.043 -0.647 1.00 0.26 H new ATOM 934 N ASN A 835 0.757 -16.203 2.743 1.00 0.18 N ATOM 935 CA ASN A 835 0.084 -17.399 2.257 1.00 0.20 C ATOM 936 C ASN A 835 -1.139 -17.692 3.116 1.00 0.20 C ATOM 937 O ASN A 835 -2.176 -18.134 2.619 1.00 0.23 O ATOM 938 CB ASN A 835 1.045 -18.592 2.273 1.00 0.23 C ATOM 939 CG ASN A 835 0.630 -19.668 3.260 1.00 1.38 C ATOM 940 OD1 ASN A 835 -0.232 -20.497 2.968 1.00 1.90 O ATOM 941 ND2 ASN A 835 1.245 -19.660 4.437 1.00 1.98 N ATOM 0 H ASN A 835 1.661 -16.377 3.183 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.240 -17.230 1.230 1.00 0.20 H new ATOM 0 HB2 ASN A 835 1.098 -19.023 1.273 1.00 0.23 H new ATOM 0 HB3 ASN A 835 2.047 -18.243 2.523 1.00 0.23 H new ATOM 0 HD21 ASN A 835 1.009 -20.360 5.141 1.00 1.98 H new ATOM 0 HD22 ASN A 835 1.954 -18.954 4.637 1.00 1.98 H new ATOM 948 N VAL A 836 -1.004 -17.425 4.410 1.00 0.20 N ATOM 949 CA VAL A 836 -2.089 -17.639 5.356 1.00 0.22 C ATOM 950 C VAL A 836 -3.177 -16.595 5.156 1.00 0.22 C ATOM 951 O VAL A 836 -4.342 -16.931 4.947 1.00 0.27 O ATOM 952 CB VAL A 836 -1.591 -17.578 6.813 1.00 0.24 C ATOM 953 CG1 VAL A 836 -2.721 -17.899 7.781 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.420 -18.528 7.015 1.00 0.62 C ATOM 0 H VAL A 836 -0.149 -17.058 4.828 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.492 -18.634 5.169 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.248 -16.564 7.018 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.348 -17.851 8.804 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -3.526 -17.175 7.653 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.099 -18.901 7.580 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.081 -18.472 8.049 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -0.735 -19.547 6.791 1.00 0.62 H new ATOM 0 HG23 VAL A 836 0.396 -18.246 6.350 1.00 0.62 H new ATOM 964 N ALA A 837 -2.785 -15.324 5.205 1.00 0.20 N ATOM 965 CA ALA A 837 -3.731 -14.233 5.013 1.00 0.20 C ATOM 966 C ALA A 837 -4.412 -14.351 3.654 1.00 0.20 C ATOM 967 O ALA A 837 -5.525 -13.862 3.460 1.00 0.21 O ATOM 968 CB ALA A 837 -3.035 -12.888 5.143 1.00 0.22 C ATOM 0 H ALA A 837 -1.824 -15.027 5.375 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.493 -14.300 5.790 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.760 -12.087 4.996 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.594 -12.801 6.136 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.251 -12.810 4.390 1.00 0.22 H new ATOM 974 N LYS A 838 -3.738 -15.017 2.716 1.00 0.21 N ATOM 975 CA LYS A 838 -4.284 -15.210 1.377 1.00 0.24 C ATOM 976 C LYS A 838 -5.463 -16.174 1.419 1.00 0.24 C ATOM 977 O LYS A 838 -6.493 -15.936 0.790 1.00 0.26 O ATOM 978 CB LYS A 838 -3.207 -15.736 0.425 1.00 0.28 C ATOM 979 CG LYS A 838 -2.547 -14.647 -0.407 1.00 0.38 C ATOM 980 CD LYS A 838 -1.650 -15.230 -1.490 1.00 0.49 C ATOM 981 CE LYS A 838 -0.425 -15.910 -0.897 1.00 0.68 C ATOM 982 NZ LYS A 838 0.419 -16.549 -1.943 1.00 0.85 N ATOM 0 H LYS A 838 -2.816 -15.430 2.860 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.631 -14.245 1.007 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.442 -16.253 1.005 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.653 -16.473 -0.243 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.315 -14.025 -0.867 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -1.959 -13.999 0.243 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -2.215 -15.949 -2.083 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -1.334 -14.437 -2.168 1.00 0.49 H new ATOM 0 HE2 LYS A 838 0.168 -15.176 -0.351 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -0.742 -16.664 -0.176 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 1.196 -17.072 -1.491 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -0.161 -17.206 -2.503 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.813 -15.816 -2.567 1.00 0.85 H new ATOM 996 N GLU A 839 -5.308 -17.258 2.175 1.00 0.26 N ATOM 997 CA GLU A 839 -6.368 -18.250 2.311 1.00 0.29 C ATOM 998 C GLU A 839 -7.578 -17.630 3.000 1.00 0.27 C ATOM 999 O GLU A 839 -8.712 -18.065 2.801 1.00 0.31 O ATOM 1000 CB GLU A 839 -5.870 -19.456 3.110 1.00 0.34 C ATOM 1001 CG GLU A 839 -5.581 -20.677 2.250 1.00 0.71 C ATOM 1002 CD GLU A 839 -5.258 -21.908 3.075 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -6.119 -22.327 3.878 1.00 1.82 O ATOM 1004 OE2 GLU A 839 -4.146 -22.454 2.916 1.00 1.95 O ATOM 0 H GLU A 839 -4.460 -17.470 2.701 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.660 -18.587 1.316 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -4.963 -19.177 3.647 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -6.616 -19.718 3.860 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -6.444 -20.884 1.618 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -4.744 -20.459 1.586 1.00 0.71 H new ATOM 1011 N MET A 840 -7.320 -16.602 3.801 1.00 0.25 N ATOM 1012 CA MET A 840 -8.378 -15.900 4.517 1.00 0.24 C ATOM 1013 C MET A 840 -9.190 -15.045 3.549 1.00 0.24 C ATOM 1014 O MET A 840 -10.407 -14.914 3.688 1.00 0.27 O ATOM 1015 CB MET A 840 -7.772 -15.026 5.623 1.00 0.24 C ATOM 1016 CG MET A 840 -8.644 -13.851 6.035 1.00 0.26 C ATOM 1017 SD MET A 840 -7.692 -12.505 6.768 1.00 0.30 S ATOM 1018 CE MET A 840 -6.982 -11.755 5.305 1.00 0.27 C ATOM 0 H MET A 840 -6.383 -16.235 3.971 1.00 0.25 H new ATOM 0 HA MET A 840 -9.043 -16.633 4.974 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.581 -15.647 6.498 1.00 0.24 H new ATOM 0 HB3 MET A 840 -6.808 -14.647 5.284 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.181 -13.478 5.163 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.393 -14.192 6.749 1.00 0.26 H new ATOM 0 HE1 MET A 840 -5.915 -11.596 5.459 1.00 0.27 H new ATOM 0 HE2 MET A 840 -7.131 -12.414 4.449 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.467 -10.798 5.115 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.504 -14.468 2.568 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.151 -13.627 1.568 1.00 0.24 C ATOM 1030 C LEU A 841 -10.051 -14.460 0.661 1.00 0.24 C ATOM 1031 O LEU A 841 -11.179 -14.069 0.363 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.098 -12.895 0.733 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.411 -11.724 1.436 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -5.928 -11.696 1.103 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.071 -10.410 1.048 1.00 0.38 C ATOM 0 H LEU A 841 -7.497 -14.568 2.444 1.00 0.22 H new ATOM 0 HA LEU A 841 -9.768 -12.893 2.086 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.336 -13.612 0.427 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.571 -12.525 -0.177 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.517 -11.858 2.512 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.456 -10.856 1.613 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.464 -12.626 1.431 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -5.799 -11.586 0.026 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -7.570 -9.587 1.557 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -7.996 -10.269 -0.030 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.121 -10.431 1.339 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.543 -15.610 0.227 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.301 -16.500 -0.645 1.00 0.35 C ATOM 1049 C ALA A 842 -11.522 -17.062 0.070 1.00 0.36 C ATOM 1050 O ALA A 842 -12.497 -17.460 -0.567 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.421 -17.633 -1.138 1.00 0.49 C ATOM 0 H ALA A 842 -8.610 -15.947 0.465 1.00 0.30 H new ATOM 0 HA ALA A 842 -10.644 -15.918 -1.500 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.001 -18.288 -1.787 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -8.579 -17.223 -1.695 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.050 -18.203 -0.286 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.463 -17.088 1.398 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.568 -17.598 2.202 1.00 0.42 C ATOM 1059 C GLU A 843 -13.779 -16.677 2.095 1.00 0.53 C ATOM 1060 O GLU A 843 -14.796 -16.894 2.753 1.00 0.69 O ATOM 1061 CB GLU A 843 -12.142 -17.734 3.665 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.870 -18.841 4.411 1.00 0.57 C ATOM 1063 CD GLU A 843 -11.931 -19.924 4.902 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -11.402 -20.679 4.060 1.00 1.68 O ATOM 1065 OE2 GLU A 843 -11.724 -20.018 6.130 1.00 1.36 O ATOM 0 H GLU A 843 -10.662 -16.762 1.940 1.00 0.34 H new ATOM 0 HA GLU A 843 -12.843 -18.581 1.821 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -11.069 -17.924 3.706 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.318 -16.787 4.175 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -13.402 -18.413 5.261 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -13.620 -19.284 3.756 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.658 -15.651 1.258 1.00 0.54 N ATOM 1073 CA ASN A 844 -14.740 -14.693 1.059 1.00 0.77 C ATOM 1074 C ASN A 844 -14.681 -14.097 -0.344 1.00 0.81 C ATOM 1075 O ASN A 844 -15.295 -13.065 -0.618 1.00 1.48 O ATOM 1076 CB ASN A 844 -14.659 -13.578 2.103 1.00 0.89 C ATOM 1077 CG ASN A 844 -15.137 -14.027 3.471 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -16.321 -13.923 3.792 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -14.217 -14.531 4.284 1.00 1.05 N ATOM 0 H ASN A 844 -12.821 -15.462 0.707 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.688 -15.219 1.174 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -13.629 -13.229 2.178 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -15.259 -12.731 1.772 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -14.480 -14.851 5.216 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -13.247 -14.599 3.977 1.00 1.05 H new ATOM 1086 N ASN A 845 -13.935 -14.757 -1.228 1.00 0.49 N ATOM 1087 CA ASN A 845 -13.787 -14.301 -2.607 1.00 0.56 C ATOM 1088 C ASN A 845 -13.207 -12.890 -2.660 1.00 0.48 C ATOM 1089 O ASN A 845 -13.336 -12.191 -3.665 1.00 0.57 O ATOM 1090 CB ASN A 845 -15.134 -14.342 -3.331 1.00 0.73 C ATOM 1091 CG ASN A 845 -14.980 -14.562 -4.824 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -14.223 -15.428 -5.260 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -15.700 -13.776 -5.614 1.00 1.97 N ATOM 0 H ASN A 845 -13.422 -15.612 -1.012 1.00 0.49 H new ATOM 0 HA ASN A 845 -13.094 -14.975 -3.110 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -15.746 -15.140 -2.910 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -15.666 -13.407 -3.157 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -15.638 -13.877 -6.627 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -16.315 -13.071 -5.208 1.00 1.97 H new ATOM 1100 N GLU A 846 -12.570 -12.477 -1.568 1.00 0.35 N ATOM 1101 CA GLU A 846 -11.970 -11.151 -1.483 1.00 0.31 C ATOM 1102 C GLU A 846 -10.760 -11.038 -2.404 1.00 0.30 C ATOM 1103 O GLU A 846 -10.189 -12.046 -2.823 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.557 -10.851 -0.041 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.403 -9.783 0.636 1.00 0.44 C ATOM 1106 CD GLU A 846 -13.854 -9.811 0.194 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -14.632 -10.607 0.761 1.00 1.69 O ATOM 1108 OE2 GLU A 846 -14.211 -9.036 -0.719 1.00 2.30 O ATOM 0 H GLU A 846 -12.456 -13.044 -0.728 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.714 -10.421 -1.803 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -11.616 -11.770 0.542 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.514 -10.534 -0.031 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.355 -9.919 1.716 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -11.981 -8.801 0.420 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.373 -9.804 -2.711 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.228 -9.551 -3.579 1.00 0.31 C ATOM 1117 C LYS A 847 -8.591 -8.205 -3.252 1.00 0.36 C ATOM 1118 O LYS A 847 -7.733 -7.718 -3.987 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.656 -9.585 -5.046 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.911 -8.776 -5.333 1.00 0.69 C ATOM 1121 CD LYS A 847 -11.662 -9.319 -6.538 1.00 0.97 C ATOM 1122 CE LYS A 847 -13.159 -9.375 -6.285 1.00 1.32 C ATOM 1123 NZ LYS A 847 -13.931 -9.565 -7.544 1.00 1.98 N ATOM 0 H LYS A 847 -10.837 -8.962 -2.371 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.490 -10.335 -3.408 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.841 -9.206 -5.662 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.825 -10.620 -5.342 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.563 -8.792 -4.460 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.641 -7.735 -5.510 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -11.462 -8.690 -7.406 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -11.295 -10.317 -6.777 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -13.380 -10.191 -5.597 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -13.479 -8.453 -5.799 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -14.947 -9.598 -7.326 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -13.741 -8.773 -8.191 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -13.645 -10.457 -7.995 1.00 1.98 H new ATOM 1137 N PHE A 848 -9.021 -7.612 -2.143 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.496 -6.321 -1.711 1.00 0.37 C ATOM 1139 C PHE A 848 -7.701 -6.466 -0.417 1.00 0.30 C ATOM 1140 O PHE A 848 -8.201 -7.004 0.573 1.00 0.39 O ATOM 1141 CB PHE A 848 -9.641 -5.325 -1.513 1.00 0.50 C ATOM 1142 CG PHE A 848 -10.482 -5.128 -2.742 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -9.994 -4.417 -3.826 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -11.763 -5.652 -2.811 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -10.765 -4.233 -4.958 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -12.541 -5.470 -3.939 1.00 1.02 C ATOM 1147 CZ PHE A 848 -12.036 -4.767 -5.018 1.00 0.98 C ATOM 0 H PHE A 848 -9.732 -8.005 -1.526 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.828 -5.946 -2.487 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -10.277 -5.672 -0.699 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -9.227 -4.364 -1.207 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -8.998 -4.001 -3.786 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -12.158 -6.209 -1.974 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -10.374 -3.672 -5.794 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -13.541 -5.876 -3.978 1.00 1.02 H new ATOM 0 HZ PHE A 848 -12.636 -4.636 -5.907 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.460 -5.991 -0.433 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.593 -6.074 0.738 1.00 0.23 C ATOM 1159 C LEU A 849 -5.121 -4.687 1.169 1.00 0.24 C ATOM 1160 O LEU A 849 -4.459 -3.982 0.408 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.390 -6.974 0.435 1.00 0.26 C ATOM 1162 CG LEU A 849 -3.917 -7.863 1.592 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -3.082 -7.059 2.575 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -5.100 -8.514 2.301 1.00 0.74 C ATOM 0 H LEU A 849 -6.032 -5.544 -1.244 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.165 -6.506 1.559 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.642 -7.614 -0.411 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.558 -6.344 0.121 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.295 -8.656 1.176 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.755 -7.706 3.389 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.210 -6.651 2.063 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.681 -6.243 2.979 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -4.736 -9.139 3.117 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.755 -7.740 2.701 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.655 -9.129 1.593 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.472 -4.303 2.393 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.090 -3.000 2.930 1.00 0.29 C ATOM 1178 C ASN A 850 -3.668 -3.027 3.483 1.00 0.30 C ATOM 1179 O ASN A 850 -3.031 -4.078 3.533 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.066 -2.572 4.029 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.277 -1.846 3.479 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -7.040 -0.727 2.803 1.00 1.52 O flip ATOM 1183 ND2 ASN A 850 -8.414 -2.286 3.658 1.00 0.92 N flip ATOM 0 H ASN A 850 -6.021 -4.877 3.033 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.127 -2.278 2.114 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.394 -3.452 4.582 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -5.549 -1.925 4.738 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -8.550 -3.150 4.184 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -9.219 -1.787 3.281 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.177 -1.860 3.899 1.00 0.31 N ATOM 1191 CA ILE A 851 -1.831 -1.744 4.447 1.00 0.36 C ATOM 1192 C ILE A 851 -1.829 -0.925 5.735 1.00 0.53 C ATOM 1193 O ILE A 851 -2.806 -0.242 6.040 1.00 0.71 O ATOM 1194 CB ILE A 851 -0.872 -1.103 3.433 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.121 -1.698 2.051 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.576 -1.291 3.855 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.292 -2.928 1.738 1.00 1.04 C ATOM 0 H ILE A 851 -3.694 -0.982 3.866 1.00 0.31 H new ATOM 0 HA ILE A 851 -1.487 -2.754 4.669 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.062 -0.030 3.396 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -2.177 -1.955 1.965 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -0.916 -0.936 1.299 1.00 0.54 H new ATOM 0 HG21 ILE A 851 1.233 -0.827 3.119 1.00 0.53 H new ATOM 0 HG22 ILE A 851 0.735 -0.825 4.828 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.800 -2.356 3.922 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -0.533 -3.284 0.736 1.00 1.04 H new ATOM 0 HD12 ILE A 851 0.767 -2.675 1.788 1.00 1.04 H new ATOM 0 HD13 ILE A 851 -0.513 -3.710 2.464 1.00 1.04 H new ATOM 1209 N ARG A 852 -0.730 -1.001 6.486 1.00 0.59 N ATOM 1210 CA ARG A 852 -0.597 -0.265 7.744 1.00 0.80 C ATOM 1211 C ARG A 852 -1.007 1.198 7.573 1.00 0.83 C ATOM 1212 O ARG A 852 -2.170 1.550 7.764 1.00 1.70 O ATOM 1213 CB ARG A 852 0.847 -0.351 8.253 1.00 1.22 C ATOM 1214 CG ARG A 852 1.085 0.394 9.557 1.00 2.24 C ATOM 1215 CD ARG A 852 2.335 -0.102 10.266 1.00 3.05 C ATOM 1216 NE ARG A 852 3.557 0.354 9.609 1.00 3.71 N ATOM 1217 CZ ARG A 852 4.613 0.829 10.262 1.00 4.39 C ATOM 1218 NH1 ARG A 852 4.598 0.912 11.586 1.00 4.68 N ATOM 1219 NH2 ARG A 852 5.688 1.222 9.593 1.00 5.09 N ATOM 0 H ARG A 852 0.084 -1.567 6.244 1.00 0.59 H new ATOM 0 HA ARG A 852 -1.264 -0.720 8.476 1.00 0.80 H new ATOM 0 HB2 ARG A 852 1.112 -1.399 8.391 1.00 1.22 H new ATOM 0 HB3 ARG A 852 1.515 0.049 7.490 1.00 1.22 H new ATOM 0 HG2 ARG A 852 1.180 1.461 9.355 1.00 2.24 H new ATOM 0 HG3 ARG A 852 0.222 0.269 10.211 1.00 2.24 H new ATOM 0 HD2 ARG A 852 2.328 0.246 11.299 1.00 3.05 H new ATOM 0 HD3 ARG A 852 2.325 -1.192 10.297 1.00 3.05 H new ATOM 0 HE ARG A 852 3.603 0.305 8.591 1.00 3.71 H new ATOM 0 HH11 ARG A 852 3.774 0.611 12.107 1.00 4.68 H new ATOM 0 HH12 ARG A 852 5.410 1.277 12.083 1.00 4.68 H new ATOM 0 HH21 ARG A 852 5.706 1.160 8.575 1.00 5.09 H new ATOM 0 HH22 ARG A 852 6.497 1.586 10.096 1.00 5.09 H new ATOM 1233 N LEU A 853 -0.042 2.043 7.208 1.00 0.91 N ATOM 1234 CA LEU A 853 -0.298 3.467 7.008 1.00 1.58 C ATOM 1235 C LEU A 853 -1.048 4.072 8.193 1.00 2.01 C ATOM 1236 O LEU A 853 -1.732 5.086 8.054 1.00 2.60 O ATOM 1237 CB LEU A 853 -1.096 3.684 5.720 1.00 1.88 C ATOM 1238 CG LEU A 853 -0.316 4.332 4.577 1.00 1.74 C ATOM 1239 CD1 LEU A 853 -0.911 3.940 3.233 1.00 1.95 C ATOM 1240 CD2 LEU A 853 -0.299 5.845 4.733 1.00 2.38 C ATOM 0 H LEU A 853 0.925 1.764 7.045 1.00 0.91 H new ATOM 0 HA LEU A 853 0.665 3.970 6.926 1.00 1.58 H new ATOM 0 HB2 LEU A 853 -1.476 2.721 5.380 1.00 1.88 H new ATOM 0 HB3 LEU A 853 -1.962 4.306 5.947 1.00 1.88 H new ATOM 0 HG LEU A 853 0.712 3.971 4.615 1.00 1.74 H new ATOM 0 HD11 LEU A 853 -0.342 4.411 2.432 1.00 1.95 H new ATOM 0 HD12 LEU A 853 -0.870 2.857 3.119 1.00 1.95 H new ATOM 0 HD13 LEU A 853 -1.948 4.271 3.184 1.00 1.95 H new ATOM 0 HD21 LEU A 853 0.261 6.289 3.910 1.00 2.38 H new ATOM 0 HD22 LEU A 853 -1.321 6.223 4.723 1.00 2.38 H new ATOM 0 HD23 LEU A 853 0.176 6.108 5.678 1.00 2.38 H new ATOM 1252 N TYR A 854 -0.914 3.445 9.359 1.00 1.85 N ATOM 1253 CA TYR A 854 -1.579 3.925 10.565 1.00 2.27 C ATOM 1254 C TYR A 854 -0.616 3.944 11.748 1.00 2.81 C ATOM 1255 O TYR A 854 -0.921 4.626 12.749 1.00 3.39 O ATOM 1256 CB TYR A 854 -2.800 3.055 10.886 1.00 2.12 C ATOM 1257 CG TYR A 854 -2.466 1.754 11.585 1.00 1.65 C ATOM 1258 CD1 TYR A 854 -2.063 0.638 10.865 1.00 1.32 C ATOM 1259 CD2 TYR A 854 -2.556 1.646 12.967 1.00 1.81 C ATOM 1260 CE1 TYR A 854 -1.757 -0.551 11.502 1.00 1.08 C ATOM 1261 CE2 TYR A 854 -2.253 0.461 13.611 1.00 1.84 C ATOM 1262 CZ TYR A 854 -1.855 -0.634 12.874 1.00 1.48 C ATOM 1263 OH TYR A 854 -1.553 -1.814 13.512 1.00 1.82 O ATOM 1264 OXT TYR A 854 0.437 3.275 11.664 1.00 3.18 O ATOM 0 H TYR A 854 -0.352 2.605 9.493 1.00 1.85 H new ATOM 0 HA TYR A 854 -1.915 4.946 10.383 1.00 2.27 H new ATOM 0 HB2 TYR A 854 -3.485 3.626 11.513 1.00 2.12 H new ATOM 0 HB3 TYR A 854 -3.327 2.832 9.959 1.00 2.12 H new ATOM 0 HD1 TYR A 854 -1.987 0.699 9.789 1.00 1.32 H new ATOM 0 HD2 TYR A 854 -2.868 2.502 13.548 1.00 1.81 H new ATOM 0 HE1 TYR A 854 -1.443 -1.410 10.927 1.00 1.08 H new ATOM 0 HE2 TYR A 854 -2.328 0.393 14.686 1.00 1.84 H new ATOM 0 HH TYR A 854 -1.672 -1.703 14.478 1.00 1.82 H new TER 1274 TYR A 854