USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 697 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 NoAdj-H: A 855 ARGHH11 : A 855 ARG NH1 : A 889 THR OG1 :(H bumps) USER MOD NoAdj-H: A 890 HIS H : A 890 HIS N : A 855 ARG O :(H bumps) USER MOD NoAdj-H: A 913 ILE H : A 913 ILE N : A 850 ILE CG2 :(H bumps) USER MOD Single : A 836 SER OG : rot 104:sc= -0.273! USER MOD Single : A 840 THR OG1 : rot 72:sc= 0.25 USER MOD Single : A 842 CYS SG : rot 14:sc= 0.918 USER MOD Single : A 843 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.71) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ -179:sc= -11.4! (180deg=-11.5!) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.383 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -100:sc= -1.26! USER MOD Single : A 866 SER OG : rot -97:sc= -4.16! USER MOD Single : A 871 TYR OH : rot 101:sc= -35.4! USER MOD Single : A 881 GLN : amide:sc= -0.677 K(o=-0.68,f=-1.6!) USER MOD Single : A 885 MET CE :methyl 143:sc= -17.3! (180deg=-25.9!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 890 HIS : no HD1:sc= -18.8! C(o=-19!,f=-22!) USER MOD Single : A 894 SER OG : rot 180:sc= 0 USER MOD Single : A 897 LYS NZ :NH3+ 147:sc= -18.2! (180deg=-19.1!) USER MOD Single : A 898 ASN : amide:sc= -27.3! C(o=-27!,f=-37!) USER MOD Single : A 902 GLN :FLIP amide:sc= -0.992 F(o=-2.5!,f=-0.99) USER MOD Single : A 903 GLN : amide:sc= -12.6! C(o=-13!,f=-14!) USER MOD Single : A 905 SER OG : rot 180:sc= -1.39! USER MOD Single : A 912 CYS SG : rot 170:sc= -14.7! USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 CYS SG : rot 75:sc= 0.00345 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 835 -10.439 -3.600 12.104 1.00 0.00 N ATOM 2 CA GLY A 835 -9.600 -3.960 10.978 1.00 0.00 C ATOM 3 C GLY A 835 -9.695 -2.901 9.889 1.00 0.00 C ATOM 4 O GLY A 835 -8.679 -2.368 9.447 1.00 0.00 O ATOM 0 HA2 GLY A 835 -8.565 -4.063 11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -9.907 -4.928 10.582 1.00 0.00 H new ATOM 8 N SER A 836 -10.921 -2.595 9.457 1.00 0.00 N ATOM 9 CA SER A 836 -11.141 -1.602 8.425 1.00 0.00 C ATOM 10 C SER A 836 -11.286 -2.286 7.073 1.00 0.00 C ATOM 11 O SER A 836 -12.272 -2.074 6.370 1.00 0.00 O ATOM 12 CB SER A 836 -9.976 -0.617 8.411 1.00 0.00 C ATOM 13 OG SER A 836 -9.603 -0.312 9.736 1.00 0.00 O ATOM 0 H SER A 836 -11.774 -3.027 9.813 1.00 0.00 H new ATOM 0 HA SER A 836 -12.060 -1.054 8.633 1.00 0.00 H new ATOM 0 HB2 SER A 836 -9.130 -1.045 7.873 1.00 0.00 H new ATOM 0 HB3 SER A 836 -10.262 0.293 7.883 1.00 0.00 H new ATOM 0 HG SER A 836 -8.776 -0.788 9.961 1.00 0.00 H new ATOM 19 N ALA A 837 -10.300 -3.110 6.711 1.00 0.00 N ATOM 20 CA ALA A 837 -10.322 -3.820 5.447 1.00 0.00 C ATOM 21 C ALA A 837 -11.692 -4.448 5.233 1.00 0.00 C ATOM 22 O ALA A 837 -12.363 -4.156 4.246 1.00 0.00 O ATOM 23 CB ALA A 837 -9.231 -4.886 5.445 1.00 0.00 C ATOM 0 H ALA A 837 -9.477 -3.297 7.284 1.00 0.00 H new ATOM 0 HA ALA A 837 -10.132 -3.124 4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -9.246 -5.421 4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -8.259 -4.412 5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -9.407 -5.588 6.260 1.00 0.00 H new ATOM 29 N ASP A 838 -12.105 -5.314 6.161 1.00 0.00 N ATOM 30 CA ASP A 838 -13.389 -5.979 6.068 1.00 0.00 C ATOM 31 C ASP A 838 -14.488 -4.949 5.850 1.00 0.00 C ATOM 32 O ASP A 838 -15.573 -5.286 5.382 1.00 0.00 O ATOM 33 CB ASP A 838 -13.642 -6.777 7.344 1.00 0.00 C ATOM 34 CG ASP A 838 -14.045 -5.858 8.489 1.00 0.00 C ATOM 35 OD1 ASP A 838 -13.122 -5.372 9.178 1.00 0.00 O ATOM 36 OD2 ASP A 838 -15.268 -5.660 8.653 1.00 0.00 O ATOM 0 H ASP A 838 -11.560 -5.566 6.986 1.00 0.00 H new ATOM 0 HA ASP A 838 -13.387 -6.665 5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -14.428 -7.512 7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -12.743 -7.330 7.616 1.00 0.00 H new ATOM 41 N GLU A 839 -14.205 -3.689 6.190 1.00 0.00 N ATOM 42 CA GLU A 839 -15.170 -2.621 6.027 1.00 0.00 C ATOM 43 C GLU A 839 -14.816 -1.781 4.808 1.00 0.00 C ATOM 44 O GLU A 839 -15.601 -0.937 4.382 1.00 0.00 O ATOM 45 CB GLU A 839 -15.192 -1.760 7.288 1.00 0.00 C ATOM 46 CG GLU A 839 -16.304 -2.244 8.214 1.00 0.00 C ATOM 47 CD GLU A 839 -17.334 -1.147 8.444 1.00 0.00 C ATOM 48 OE1 GLU A 839 -18.122 -0.903 7.504 1.00 0.00 O ATOM 49 OE2 GLU A 839 -17.315 -0.574 9.554 1.00 0.00 O ATOM 0 H GLU A 839 -13.311 -3.392 6.580 1.00 0.00 H new ATOM 0 HA GLU A 839 -16.162 -3.046 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -14.230 -1.817 7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -15.352 -0.714 7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -16.789 -3.119 7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -15.879 -2.555 9.168 1.00 0.00 H new ATOM 56 N THR A 840 -13.628 -2.015 4.244 1.00 0.00 N ATOM 57 CA THR A 840 -13.181 -1.281 3.078 1.00 0.00 C ATOM 58 C THR A 840 -12.993 -2.233 1.906 1.00 0.00 C ATOM 59 O THR A 840 -13.810 -2.260 0.987 1.00 0.00 O ATOM 60 CB THR A 840 -11.876 -0.559 3.402 1.00 0.00 C ATOM 61 OG1 THR A 840 -12.076 0.301 4.501 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.431 0.257 2.192 1.00 0.00 C ATOM 0 H THR A 840 -12.964 -2.711 4.584 1.00 0.00 H new ATOM 0 HA THR A 840 -13.932 -0.542 2.801 1.00 0.00 H new ATOM 0 HB THR A 840 -11.107 -1.291 3.648 1.00 0.00 H new ATOM 0 HG1 THR A 840 -12.166 -0.230 5.320 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.499 0.773 2.424 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.277 -0.407 1.342 1.00 0.00 H new ATOM 0 HG23 THR A 840 -12.199 0.990 1.945 1.00 0.00 H new ATOM 70 N LEU A 841 -11.913 -3.017 1.940 1.00 0.00 N ATOM 71 CA LEU A 841 -11.623 -3.966 0.884 1.00 0.00 C ATOM 72 C LEU A 841 -12.718 -5.022 0.823 1.00 0.00 C ATOM 73 O LEU A 841 -12.686 -5.903 -0.033 1.00 0.00 O ATOM 74 CB LEU A 841 -10.264 -4.611 1.139 1.00 0.00 C ATOM 75 CG LEU A 841 -9.972 -5.632 0.044 1.00 0.00 C ATOM 76 CD1 LEU A 841 -10.283 -7.035 0.558 1.00 0.00 C ATOM 77 CD2 LEU A 841 -10.840 -5.333 -1.175 1.00 0.00 C ATOM 0 H LEU A 841 -11.227 -3.006 2.695 1.00 0.00 H new ATOM 0 HA LEU A 841 -11.591 -3.449 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -9.485 -3.848 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -10.257 -5.097 2.115 1.00 0.00 H new ATOM 0 HG LEU A 841 -8.920 -5.573 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -10.074 -7.764 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -9.663 -7.249 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -11.335 -7.095 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -10.632 -6.062 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -11.892 -5.391 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -10.617 -4.332 -1.544 1.00 0.00 H new ATOM 89 N CYS A 842 -13.688 -4.929 1.735 1.00 0.00 N ATOM 90 CA CYS A 842 -14.789 -5.870 1.784 1.00 0.00 C ATOM 91 C CYS A 842 -15.508 -5.885 0.443 1.00 0.00 C ATOM 92 O CYS A 842 -16.294 -6.789 0.170 1.00 0.00 O ATOM 93 CB CYS A 842 -15.745 -5.476 2.907 1.00 0.00 C ATOM 94 SG CYS A 842 -17.405 -6.063 2.490 1.00 0.00 S ATOM 0 H CYS A 842 -13.725 -4.203 2.451 1.00 0.00 H new ATOM 0 HA CYS A 842 -14.410 -6.872 1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -15.417 -5.910 3.852 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -15.749 -4.394 3.038 1.00 0.00 H new ATOM 0 HG CYS A 842 -17.331 -6.911 1.508 1.00 0.00 H new ATOM 100 N GLN A 843 -15.237 -4.882 -0.395 1.00 0.00 N ATOM 101 CA GLN A 843 -15.859 -4.787 -1.700 1.00 0.00 C ATOM 102 C GLN A 843 -15.002 -5.503 -2.735 1.00 0.00 C ATOM 103 O GLN A 843 -14.566 -4.896 -3.710 1.00 0.00 O ATOM 104 CB GLN A 843 -16.039 -3.318 -2.070 1.00 0.00 C ATOM 105 CG GLN A 843 -16.372 -2.513 -0.817 1.00 0.00 C ATOM 106 CD GLN A 843 -17.770 -1.921 -0.908 1.00 0.00 C ATOM 107 OE1 GLN A 843 -18.185 -1.463 -1.971 1.00 0.00 O ATOM 108 NE2 GLN A 843 -18.498 -1.928 0.212 1.00 0.00 N ATOM 0 H GLN A 843 -14.587 -4.125 -0.184 1.00 0.00 H new ATOM 0 HA GLN A 843 -16.838 -5.265 -1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -15.129 -2.934 -2.530 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -16.837 -3.213 -2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -16.301 -3.154 0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -15.642 -1.714 -0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -18.110 -2.319 1.070 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -19.442 -1.542 0.209 1.00 0.00 H new ATOM 117 N THR A 844 -14.762 -6.799 -2.521 1.00 0.00 N ATOM 118 CA THR A 844 -13.961 -7.586 -3.437 1.00 0.00 C ATOM 119 C THR A 844 -12.524 -7.086 -3.430 1.00 0.00 C ATOM 120 O THR A 844 -11.624 -7.781 -2.964 1.00 0.00 O ATOM 121 CB THR A 844 -14.558 -7.496 -4.839 1.00 0.00 C ATOM 122 OG1 THR A 844 -14.776 -8.796 -5.340 1.00 0.00 O ATOM 123 CG2 THR A 844 -13.592 -6.752 -5.757 1.00 0.00 C ATOM 0 H THR A 844 -15.115 -7.318 -1.717 1.00 0.00 H new ATOM 0 HA THR A 844 -13.962 -8.629 -3.121 1.00 0.00 H new ATOM 0 HB THR A 844 -15.505 -6.958 -4.797 1.00 0.00 H new ATOM 0 HG1 THR A 844 -15.161 -8.740 -6.239 1.00 0.00 H new ATOM 0 HG21 THR A 844 -14.018 -6.688 -6.758 1.00 0.00 H new ATOM 0 HG22 THR A 844 -13.423 -5.747 -5.369 1.00 0.00 H new ATOM 0 HG23 THR A 844 -12.644 -7.289 -5.800 1.00 0.00 H new ATOM 131 N LYS A 845 -12.310 -5.875 -3.950 1.00 0.00 N ATOM 132 CA LYS A 845 -10.985 -5.290 -4.000 1.00 0.00 C ATOM 133 C LYS A 845 -11.087 -3.771 -3.963 1.00 0.00 C ATOM 134 O LYS A 845 -10.094 -3.085 -3.737 1.00 0.00 O ATOM 135 CB LYS A 845 -10.273 -5.753 -5.268 1.00 0.00 C ATOM 136 CG LYS A 845 -9.448 -6.999 -4.961 1.00 0.00 C ATOM 137 CD LYS A 845 -8.349 -6.649 -3.962 1.00 0.00 C ATOM 138 CE LYS A 845 -8.755 -7.126 -2.570 1.00 0.00 C ATOM 139 NZ LYS A 845 -8.320 -8.513 -2.340 1.00 0.00 N ATOM 0 H LYS A 845 -13.045 -5.286 -4.341 1.00 0.00 H new ATOM 0 HA LYS A 845 -10.408 -5.616 -3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -11.002 -5.970 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -9.627 -4.960 -5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -10.089 -7.781 -4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -9.009 -7.392 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -7.410 -7.117 -4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -8.180 -5.572 -3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -8.316 -6.473 -1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -9.837 -7.057 -2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -8.623 -8.819 -1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -8.746 -9.134 -3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -7.284 -8.567 -2.406 1.00 0.00 H new ATOM 153 N VAL A 846 -12.295 -3.248 -4.187 1.00 0.00 N ATOM 154 CA VAL A 846 -12.523 -1.817 -4.179 1.00 0.00 C ATOM 155 C VAL A 846 -11.330 -1.103 -4.799 1.00 0.00 C ATOM 156 O VAL A 846 -11.472 -0.407 -5.801 1.00 0.00 O ATOM 157 CB VAL A 846 -12.750 -1.347 -2.746 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.008 -2.554 -1.849 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.513 -0.602 -2.253 1.00 0.00 C ATOM 0 H VAL A 846 -13.128 -3.805 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 846 -13.409 -1.582 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 846 -13.612 -0.681 -2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.170 -2.218 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -13.892 -3.086 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -12.146 -3.221 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.675 -0.266 -1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -10.651 -1.268 -2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -11.329 0.261 -2.893 1.00 0.00 H new ATOM 169 N LEU A 847 -10.150 -1.277 -4.198 1.00 0.00 N ATOM 170 CA LEU A 847 -8.940 -0.651 -4.692 1.00 0.00 C ATOM 171 C LEU A 847 -9.083 0.863 -4.638 1.00 0.00 C ATOM 172 O LEU A 847 -8.583 1.504 -3.716 1.00 0.00 O ATOM 173 CB LEU A 847 -8.673 -1.118 -6.120 1.00 0.00 C ATOM 174 CG LEU A 847 -8.934 -2.618 -6.222 1.00 0.00 C ATOM 175 CD1 LEU A 847 -8.128 -3.349 -5.153 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.421 -2.890 -6.013 1.00 0.00 C ATOM 0 H LEU A 847 -10.016 -1.851 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 847 -8.096 -0.939 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.315 -0.578 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -7.643 -0.897 -6.399 1.00 0.00 H new ATOM 0 HG LEU A 847 -8.634 -2.973 -7.208 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -8.314 -4.420 -5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -7.066 -3.155 -5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.427 -2.995 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.609 -3.961 -6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.721 -2.535 -5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -10.997 -2.368 -6.777 1.00 0.00 H new ATOM 188 N LEU A 848 -9.769 1.436 -5.631 1.00 0.00 N ATOM 189 CA LEU A 848 -9.974 2.869 -5.692 1.00 0.00 C ATOM 190 C LEU A 848 -8.662 3.566 -6.020 1.00 0.00 C ATOM 191 O LEU A 848 -7.600 2.949 -5.971 1.00 0.00 O ATOM 192 CB LEU A 848 -10.527 3.360 -4.357 1.00 0.00 C ATOM 193 CG LEU A 848 -12.052 3.370 -4.412 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.611 3.562 -3.005 1.00 0.00 C ATOM 195 CD2 LEU A 848 -12.522 4.514 -5.306 1.00 0.00 C ATOM 0 H LEU A 848 -10.190 0.919 -6.403 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.693 3.103 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.186 2.712 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -10.153 4.361 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 848 -12.406 2.423 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.700 3.569 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.276 2.745 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.256 4.509 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -13.611 4.521 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -12.167 5.462 -4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -12.124 4.377 -6.311 1.00 0.00 H new ATOM 207 N ASP A 849 -8.737 4.856 -6.356 1.00 0.00 N ATOM 208 CA ASP A 849 -7.557 5.628 -6.691 1.00 0.00 C ATOM 209 C ASP A 849 -6.888 6.124 -5.417 1.00 0.00 C ATOM 210 O ASP A 849 -6.756 7.329 -5.212 1.00 0.00 O ATOM 211 CB ASP A 849 -7.954 6.799 -7.585 1.00 0.00 C ATOM 212 CG ASP A 849 -8.572 6.305 -8.886 1.00 0.00 C ATOM 213 OD1 ASP A 849 -9.292 5.285 -8.820 1.00 0.00 O ATOM 214 OD2 ASP A 849 -8.313 6.956 -9.921 1.00 0.00 O ATOM 0 H ASP A 849 -9.610 5.382 -6.401 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.847 5.001 -7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -8.664 7.438 -7.060 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -7.077 7.409 -7.803 1.00 0.00 H new ATOM 219 N ILE A 850 -6.465 5.192 -4.561 1.00 0.00 N ATOM 220 CA ILE A 850 -5.811 5.536 -3.314 1.00 0.00 C ATOM 221 C ILE A 850 -4.326 5.766 -3.557 1.00 0.00 C ATOM 222 O ILE A 850 -3.916 6.871 -3.907 1.00 0.00 O ATOM 223 CB ILE A 850 -6.027 4.416 -2.300 1.00 0.00 C ATOM 224 CG1 ILE A 850 -7.118 3.476 -2.805 1.00 0.00 C ATOM 225 CG2 ILE A 850 -6.452 5.016 -0.963 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.477 4.158 -2.678 1.00 0.00 C ATOM 0 H ILE A 850 -6.568 4.189 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 850 -6.240 6.455 -2.915 1.00 0.00 H new ATOM 0 HB ILE A 850 -5.099 3.859 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -6.929 3.208 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -7.109 2.550 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -6.607 4.217 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -5.673 5.688 -0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.380 5.573 -1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -9.256 3.487 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.665 4.403 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -8.482 5.072 -3.272 1.00 0.00 H new ATOM 238 N PHE A 851 -3.519 4.719 -3.372 1.00 0.00 N ATOM 239 CA PHE A 851 -2.087 4.814 -3.573 1.00 0.00 C ATOM 240 C PHE A 851 -1.794 5.243 -5.004 1.00 0.00 C ATOM 241 O PHE A 851 -0.767 4.871 -5.567 1.00 0.00 O ATOM 242 CB PHE A 851 -1.441 3.466 -3.268 1.00 0.00 C ATOM 243 CG PHE A 851 -2.078 2.741 -2.107 1.00 0.00 C ATOM 244 CD1 PHE A 851 -2.067 3.317 -0.831 1.00 0.00 C ATOM 245 CD2 PHE A 851 -2.682 1.493 -2.306 1.00 0.00 C ATOM 246 CE1 PHE A 851 -2.660 2.646 0.246 1.00 0.00 C ATOM 247 CE2 PHE A 851 -3.274 0.822 -1.229 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.263 1.399 0.046 1.00 0.00 C ATOM 0 H PHE A 851 -3.843 3.796 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.670 5.562 -2.899 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.499 2.836 -4.155 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.383 3.619 -3.054 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -1.601 4.279 -0.677 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -2.691 1.048 -3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -2.652 3.091 1.230 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -3.739 -0.141 -1.382 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.720 0.881 0.876 1.00 0.00 H new ATOM 258 N THR A 852 -2.700 6.027 -5.592 1.00 0.00 N ATOM 259 CA THR A 852 -2.529 6.500 -6.951 1.00 0.00 C ATOM 260 C THR A 852 -1.091 6.945 -7.169 1.00 0.00 C ATOM 261 O THR A 852 -0.692 8.013 -6.709 1.00 0.00 O ATOM 262 CB THR A 852 -3.497 7.650 -7.214 1.00 0.00 C ATOM 263 OG1 THR A 852 -4.008 7.545 -8.524 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.762 8.979 -7.060 1.00 0.00 C ATOM 0 H THR A 852 -3.558 6.344 -5.140 1.00 0.00 H new ATOM 0 HA THR A 852 -2.746 5.692 -7.650 1.00 0.00 H new ATOM 0 HB THR A 852 -4.318 7.604 -6.499 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.631 8.283 -8.692 1.00 0.00 H new ATOM 0 HG21 THR A 852 -3.453 9.801 -7.248 1.00 0.00 H new ATOM 0 HG22 THR A 852 -2.367 9.061 -6.047 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.940 9.025 -7.775 1.00 0.00 H new ATOM 272 N GLY A 853 -0.309 6.124 -7.874 1.00 0.00 N ATOM 273 CA GLY A 853 1.078 6.441 -8.147 1.00 0.00 C ATOM 274 C GLY A 853 1.916 6.266 -6.888 1.00 0.00 C ATOM 275 O GLY A 853 3.087 6.638 -6.862 1.00 0.00 O ATOM 0 H GLY A 853 -0.622 5.235 -8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.457 5.794 -8.938 1.00 0.00 H new ATOM 0 HA3 GLY A 853 1.160 7.466 -8.507 1.00 0.00 H new ATOM 279 N VAL A 854 1.312 5.698 -5.842 1.00 0.00 N ATOM 280 CA VAL A 854 2.002 5.477 -4.587 1.00 0.00 C ATOM 281 C VAL A 854 2.705 4.127 -4.617 1.00 0.00 C ATOM 282 O VAL A 854 2.061 3.087 -4.496 1.00 0.00 O ATOM 283 CB VAL A 854 1.000 5.540 -3.438 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.591 4.857 -2.208 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.692 6.998 -3.112 1.00 0.00 C ATOM 0 H VAL A 854 0.341 5.384 -5.848 1.00 0.00 H new ATOM 0 HA VAL A 854 2.753 6.253 -4.438 1.00 0.00 H new ATOM 0 HB VAL A 854 0.081 5.031 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 854 0.875 4.902 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 854 1.811 3.815 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.510 5.365 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -0.024 7.044 -2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.611 7.508 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.269 7.486 -3.990 1.00 0.00 H new ATOM 295 N ARG A 855 4.030 4.146 -4.778 1.00 0.00 N ATOM 296 CA ARG A 855 4.812 2.926 -4.823 1.00 0.00 C ATOM 297 C ARG A 855 5.346 2.605 -3.435 1.00 0.00 C ATOM 298 O ARG A 855 6.458 2.998 -3.089 1.00 0.00 O ATOM 299 CB ARG A 855 5.957 3.095 -5.817 1.00 0.00 C ATOM 300 CG ARG A 855 7.132 3.782 -5.128 1.00 0.00 C ATOM 301 CD ARG A 855 8.067 4.370 -6.180 1.00 0.00 C ATOM 302 NE ARG A 855 7.316 5.103 -7.200 1.00 0.00 N ATOM 303 CZ ARG A 855 7.393 6.433 -7.342 1.00 0.00 C ATOM 304 NH1 ARG A 855 8.185 7.149 -6.532 1.00 0.00 N ATOM 305 NH2 ARG A 855 6.679 7.048 -8.295 1.00 0.00 N ATOM 0 H ARG A 855 4.578 5.000 -4.879 1.00 0.00 H new ATOM 0 HA ARG A 855 4.184 2.097 -5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 855 6.265 2.123 -6.202 1.00 0.00 H new ATOM 0 HB3 ARG A 855 5.627 3.686 -6.671 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.770 4.570 -4.467 1.00 0.00 H new ATOM 0 HG3 ARG A 855 7.671 3.067 -4.506 1.00 0.00 H new ATOM 0 HD2 ARG A 855 8.784 5.037 -5.702 1.00 0.00 H new ATOM 0 HD3 ARG A 855 8.640 3.571 -6.650 1.00 0.00 H new ATOM 0 HE ARG A 855 6.708 4.579 -7.830 1.00 0.00 H new ATOM 0 HH12 ARG A 855 8.243 8.162 -6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 855 6.077 6.503 -8.912 1.00 0.00 H new ATOM 0 HH22 ARG A 855 6.738 8.061 -8.403 1.00 0.00 H new ATOM 319 N LEU A 856 4.550 1.886 -2.639 1.00 0.00 N ATOM 320 CA LEU A 856 4.946 1.515 -1.295 1.00 0.00 C ATOM 321 C LEU A 856 5.412 0.066 -1.275 1.00 0.00 C ATOM 322 O LEU A 856 4.790 -0.797 -1.891 1.00 0.00 O ATOM 323 CB LEU A 856 3.770 1.718 -0.345 1.00 0.00 C ATOM 324 CG LEU A 856 3.121 0.370 -0.044 1.00 0.00 C ATOM 325 CD1 LEU A 856 4.196 -0.632 0.368 1.00 0.00 C ATOM 326 CD2 LEU A 856 2.115 0.532 1.092 1.00 0.00 C ATOM 0 H LEU A 856 3.626 1.552 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 856 5.773 2.146 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 856 4.112 2.184 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 856 3.040 2.393 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 856 2.608 0.007 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 856 3.733 -1.595 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 856 4.915 -0.748 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 856 4.709 -0.269 1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 856 1.651 -0.431 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 856 2.627 0.895 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 856 1.347 1.247 0.798 1.00 0.00 H new ATOM 338 N TYR A 857 6.510 -0.200 -0.564 1.00 0.00 N ATOM 339 CA TYR A 857 7.051 -1.541 -0.470 1.00 0.00 C ATOM 340 C TYR A 857 6.213 -2.370 0.493 1.00 0.00 C ATOM 341 O TYR A 857 6.346 -2.237 1.708 1.00 0.00 O ATOM 342 CB TYR A 857 8.502 -1.470 -0.001 1.00 0.00 C ATOM 343 CG TYR A 857 8.851 -2.508 1.038 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.522 -3.852 0.823 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.503 -2.127 2.217 1.00 0.00 C ATOM 346 CE1 TYR A 857 8.846 -4.815 1.787 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.827 -3.090 3.181 1.00 0.00 C ATOM 348 CZ TYR A 857 9.499 -4.434 2.965 1.00 0.00 C ATOM 349 OH TYR A 857 9.814 -5.372 3.904 1.00 0.00 O ATOM 0 H TYR A 857 7.037 0.504 -0.047 1.00 0.00 H new ATOM 0 HA TYR A 857 7.021 -2.019 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.160 -1.593 -0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.695 -0.478 0.409 1.00 0.00 H new ATOM 0 HD1 TYR A 857 8.018 -4.146 -0.086 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.756 -1.090 2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.592 -5.852 1.621 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.330 -2.796 4.091 1.00 0.00 H new ATOM 0 HH TYR A 857 10.265 -4.940 4.659 1.00 0.00 H new ATOM 359 N LEU A 858 5.348 -3.228 -0.052 1.00 0.00 N ATOM 360 CA LEU A 858 4.494 -4.073 0.758 1.00 0.00 C ATOM 361 C LEU A 858 5.250 -5.328 1.170 1.00 0.00 C ATOM 362 O LEU A 858 5.571 -6.166 0.331 1.00 0.00 O ATOM 363 CB LEU A 858 3.239 -4.434 -0.031 1.00 0.00 C ATOM 364 CG LEU A 858 2.293 -5.237 0.857 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.668 -5.027 2.321 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.859 -4.769 0.627 1.00 0.00 C ATOM 0 H LEU A 858 5.227 -3.350 -1.057 1.00 0.00 H new ATOM 0 HA LEU A 858 4.199 -3.537 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.744 -3.528 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.506 -5.014 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 858 2.374 -6.295 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 858 1.992 -5.601 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.692 -5.362 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.588 -3.969 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.183 -5.342 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.778 -3.710 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.591 -4.919 -0.419 1.00 0.00 H new ATOM 378 N PRO A 859 5.536 -5.455 2.468 1.00 0.00 N ATOM 379 CA PRO A 859 6.245 -6.579 3.041 1.00 0.00 C ATOM 380 C PRO A 859 5.341 -7.804 3.047 1.00 0.00 C ATOM 381 O PRO A 859 4.132 -7.685 3.230 1.00 0.00 O ATOM 382 CB PRO A 859 6.585 -6.143 4.465 1.00 0.00 C ATOM 383 CG PRO A 859 5.438 -5.195 4.811 1.00 0.00 C ATOM 384 CD PRO A 859 5.174 -4.489 3.483 1.00 0.00 C ATOM 0 HA PRO A 859 7.140 -6.847 2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.629 -6.991 5.148 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.552 -5.643 4.515 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.559 -5.735 5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.717 -4.491 5.595 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.128 -4.195 3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.769 -3.580 3.394 1.00 0.00 H new ATOM 392 N PRO A 860 5.931 -8.984 2.844 1.00 0.00 N ATOM 393 CA PRO A 860 5.233 -10.251 2.816 1.00 0.00 C ATOM 394 C PRO A 860 4.804 -10.629 4.226 1.00 0.00 C ATOM 395 O PRO A 860 3.890 -11.431 4.405 1.00 0.00 O ATOM 396 CB PRO A 860 6.252 -11.248 2.268 1.00 0.00 C ATOM 397 CG PRO A 860 7.583 -10.665 2.742 1.00 0.00 C ATOM 398 CD PRO A 860 7.350 -9.161 2.625 1.00 0.00 C ATOM 0 HA PRO A 860 4.331 -10.224 2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 860 6.087 -12.252 2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 860 6.205 -11.319 1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 860 7.813 -10.961 3.766 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.415 -10.996 2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 860 7.935 -8.612 3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.647 -8.791 1.644 1.00 0.00 H new ATOM 406 N SER A 861 5.468 -10.049 5.229 1.00 0.00 N ATOM 407 CA SER A 861 5.152 -10.329 6.615 1.00 0.00 C ATOM 408 C SER A 861 3.941 -9.512 7.044 1.00 0.00 C ATOM 409 O SER A 861 3.333 -9.793 8.075 1.00 0.00 O ATOM 410 CB SER A 861 6.361 -10.001 7.488 1.00 0.00 C ATOM 411 OG SER A 861 6.825 -11.180 8.107 1.00 0.00 O ATOM 0 H SER A 861 6.228 -9.382 5.097 1.00 0.00 H new ATOM 0 HA SER A 861 4.912 -11.386 6.730 1.00 0.00 H new ATOM 0 HB2 SER A 861 7.152 -9.560 6.882 1.00 0.00 H new ATOM 0 HB3 SER A 861 6.089 -9.263 8.243 1.00 0.00 H new ATOM 0 HG SER A 861 7.602 -10.972 8.666 1.00 0.00 H new ATOM 417 N THR A 862 3.589 -8.499 6.249 1.00 0.00 N ATOM 418 CA THR A 862 2.453 -7.653 6.551 1.00 0.00 C ATOM 419 C THR A 862 1.164 -8.457 6.447 1.00 0.00 C ATOM 420 O THR A 862 1.018 -9.286 5.552 1.00 0.00 O ATOM 421 CB THR A 862 2.431 -6.469 5.589 1.00 0.00 C ATOM 422 OG1 THR A 862 2.833 -5.302 6.270 1.00 0.00 O ATOM 423 CG2 THR A 862 1.017 -6.280 5.046 1.00 0.00 C ATOM 0 H THR A 862 4.082 -8.251 5.391 1.00 0.00 H new ATOM 0 HA THR A 862 2.539 -7.276 7.570 1.00 0.00 H new ATOM 0 HB THR A 862 3.115 -6.661 4.762 1.00 0.00 H new ATOM 0 HG1 THR A 862 2.042 -4.778 6.517 1.00 0.00 H new ATOM 0 HG21 THR A 862 1.001 -5.434 4.359 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.706 -7.182 4.519 1.00 0.00 H new ATOM 0 HG23 THR A 862 0.332 -6.089 5.872 1.00 0.00 H new ATOM 431 N PRO A 863 0.229 -8.208 7.366 1.00 0.00 N ATOM 432 CA PRO A 863 -1.056 -8.872 7.423 1.00 0.00 C ATOM 433 C PRO A 863 -1.938 -8.374 6.287 1.00 0.00 C ATOM 434 O PRO A 863 -1.894 -7.197 5.934 1.00 0.00 O ATOM 435 CB PRO A 863 -1.638 -8.483 8.780 1.00 0.00 C ATOM 436 CG PRO A 863 -1.032 -7.101 9.024 1.00 0.00 C ATOM 437 CD PRO A 863 0.368 -7.240 8.432 1.00 0.00 C ATOM 0 HA PRO A 863 -0.980 -9.954 7.316 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -2.727 -8.449 8.758 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.357 -9.191 9.559 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -1.604 -6.315 8.531 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -1.000 -6.854 10.085 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.733 -6.285 8.053 1.00 0.00 H new ATOM 0 HD3 PRO A 863 1.082 -7.579 9.182 1.00 0.00 H new ATOM 445 N ASP A 864 -2.742 -9.273 5.714 1.00 0.00 N ATOM 446 CA ASP A 864 -3.627 -8.922 4.622 1.00 0.00 C ATOM 447 C ASP A 864 -2.818 -8.722 3.348 1.00 0.00 C ATOM 448 O ASP A 864 -3.329 -8.194 2.363 1.00 0.00 O ATOM 449 CB ASP A 864 -4.395 -7.653 4.980 1.00 0.00 C ATOM 450 CG ASP A 864 -5.892 -7.921 5.034 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.511 -7.909 3.948 1.00 0.00 O ATOM 452 OD2 ASP A 864 -6.390 -8.134 6.161 1.00 0.00 O ATOM 0 H ASP A 864 -2.792 -10.252 5.996 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.341 -9.728 4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -4.054 -7.277 5.944 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -4.187 -6.877 4.243 1.00 0.00 H new ATOM 457 N PHE A 865 -1.552 -9.146 3.369 1.00 0.00 N ATOM 458 CA PHE A 865 -0.684 -9.010 2.217 1.00 0.00 C ATOM 459 C PHE A 865 -1.411 -9.476 0.964 1.00 0.00 C ATOM 460 O PHE A 865 -1.441 -8.767 -0.039 1.00 0.00 O ATOM 461 CB PHE A 865 0.587 -9.826 2.441 1.00 0.00 C ATOM 462 CG PHE A 865 1.689 -9.507 1.459 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.317 -8.256 1.495 1.00 0.00 C ATOM 464 CD2 PHE A 865 2.081 -10.460 0.512 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.337 -7.958 0.584 1.00 0.00 C ATOM 466 CE2 PHE A 865 3.102 -10.162 -0.399 1.00 0.00 C ATOM 467 CZ PHE A 865 3.730 -8.912 -0.363 1.00 0.00 C ATOM 0 H PHE A 865 -1.113 -9.586 4.177 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.410 -7.963 2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 865 0.950 -9.647 3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.345 -10.887 2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 865 2.014 -7.521 2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 865 1.596 -11.425 0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.821 -6.993 0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 865 3.405 -10.897 -1.130 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.518 -8.683 -1.065 1.00 0.00 H new ATOM 477 N SER A 866 -1.999 -10.673 1.023 1.00 0.00 N ATOM 478 CA SER A 866 -2.723 -11.225 -0.104 1.00 0.00 C ATOM 479 C SER A 866 -3.276 -10.098 -0.965 1.00 0.00 C ATOM 480 O SER A 866 -2.835 -9.903 -2.096 1.00 0.00 O ATOM 481 CB SER A 866 -3.850 -12.120 0.404 1.00 0.00 C ATOM 482 OG SER A 866 -4.675 -11.384 1.279 1.00 0.00 O ATOM 0 H SER A 866 -1.983 -11.274 1.847 1.00 0.00 H new ATOM 0 HA SER A 866 -2.048 -11.825 -0.715 1.00 0.00 H new ATOM 0 HB2 SER A 866 -4.436 -12.497 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 866 -3.436 -12.987 0.919 1.00 0.00 H new ATOM 0 HG SER A 866 -4.410 -11.562 2.206 1.00 0.00 H new ATOM 488 N ARG A 867 -4.244 -9.353 -0.426 1.00 0.00 N ATOM 489 CA ARG A 867 -4.852 -8.251 -1.144 1.00 0.00 C ATOM 490 C ARG A 867 -3.924 -7.045 -1.118 1.00 0.00 C ATOM 491 O ARG A 867 -3.712 -6.400 -2.143 1.00 0.00 O ATOM 492 CB ARG A 867 -6.197 -7.912 -0.509 1.00 0.00 C ATOM 493 CG ARG A 867 -6.966 -9.200 -0.227 1.00 0.00 C ATOM 494 CD ARG A 867 -6.878 -9.529 1.261 1.00 0.00 C ATOM 495 NE ARG A 867 -7.034 -10.965 1.491 1.00 0.00 N ATOM 496 CZ ARG A 867 -6.976 -11.515 2.712 1.00 0.00 C ATOM 497 NH1 ARG A 867 -6.768 -10.741 3.786 1.00 0.00 N ATOM 498 NH2 ARG A 867 -7.125 -12.838 2.859 1.00 0.00 N ATOM 0 H ARG A 867 -4.619 -9.501 0.511 1.00 0.00 H new ATOM 0 HA ARG A 867 -5.017 -8.535 -2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -6.045 -7.357 0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.774 -7.270 -1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -8.008 -9.086 -0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -6.554 -10.019 -0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -5.917 -9.196 1.654 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -7.650 -8.984 1.804 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.194 -11.574 0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -6.654 -9.734 3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -6.724 -11.159 4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -7.283 -13.427 2.042 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -7.081 -13.256 3.788 1.00 0.00 H new ATOM 512 N LEU A 868 -3.370 -6.741 0.058 1.00 0.00 N ATOM 513 CA LEU A 868 -2.469 -5.616 0.211 1.00 0.00 C ATOM 514 C LEU A 868 -1.650 -5.433 -1.059 1.00 0.00 C ATOM 515 O LEU A 868 -1.555 -4.326 -1.584 1.00 0.00 O ATOM 516 CB LEU A 868 -1.558 -5.854 1.412 1.00 0.00 C ATOM 517 CG LEU A 868 -2.135 -5.149 2.636 1.00 0.00 C ATOM 518 CD1 LEU A 868 -0.996 -4.628 3.508 1.00 0.00 C ATOM 519 CD2 LEU A 868 -3.008 -3.981 2.186 1.00 0.00 C ATOM 0 H LEU A 868 -3.536 -7.266 0.917 1.00 0.00 H new ATOM 0 HA LEU A 868 -3.044 -4.706 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -1.465 -6.923 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.556 -5.479 1.202 1.00 0.00 H new ATOM 0 HG LEU A 868 -2.738 -5.853 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -1.408 -4.124 4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -0.373 -5.463 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -0.392 -3.924 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.420 -3.477 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -2.406 -3.277 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -3.822 -4.354 1.564 1.00 0.00 H new ATOM 531 N ARG A 869 -1.059 -6.524 -1.551 1.00 0.00 N ATOM 532 CA ARG A 869 -0.252 -6.480 -2.754 1.00 0.00 C ATOM 533 C ARG A 869 -1.142 -6.229 -3.963 1.00 0.00 C ATOM 534 O ARG A 869 -1.310 -5.087 -4.386 1.00 0.00 O ATOM 535 CB ARG A 869 0.507 -7.795 -2.905 1.00 0.00 C ATOM 536 CG ARG A 869 2.007 -7.517 -2.931 1.00 0.00 C ATOM 537 CD ARG A 869 2.724 -8.660 -3.644 1.00 0.00 C ATOM 538 NE ARG A 869 2.134 -9.952 -3.290 1.00 0.00 N ATOM 539 CZ ARG A 869 2.335 -11.063 -4.012 1.00 0.00 C ATOM 540 NH1 ARG A 869 3.104 -11.020 -5.108 1.00 0.00 N ATOM 541 NH2 ARG A 869 1.766 -12.217 -3.637 1.00 0.00 N ATOM 0 H ARG A 869 -1.130 -7.449 -1.126 1.00 0.00 H new ATOM 0 HA ARG A 869 0.469 -5.666 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 869 0.265 -8.464 -2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 869 0.204 -8.299 -3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 869 2.204 -6.575 -3.442 1.00 0.00 H new ATOM 0 HG3 ARG A 869 2.386 -7.414 -1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 869 2.667 -8.513 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 869 3.781 -8.654 -3.377 1.00 0.00 H new ATOM 0 HE ARG A 869 1.545 -10.009 -2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 869 3.537 -10.141 -5.393 1.00 0.00 H new ATOM 0 HH12 ARG A 869 3.257 -11.866 -5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 869 1.180 -12.249 -2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 869 1.919 -13.063 -4.186 1.00 0.00 H new ATOM 555 N ARG A 870 -1.713 -7.300 -4.518 1.00 0.00 N ATOM 556 CA ARG A 870 -2.580 -7.191 -5.674 1.00 0.00 C ATOM 557 C ARG A 870 -3.404 -5.915 -5.582 1.00 0.00 C ATOM 558 O ARG A 870 -3.350 -5.074 -6.477 1.00 0.00 O ATOM 559 CB ARG A 870 -3.488 -8.416 -5.744 1.00 0.00 C ATOM 560 CG ARG A 870 -3.178 -9.206 -7.012 1.00 0.00 C ATOM 561 CD ARG A 870 -1.735 -9.700 -6.965 1.00 0.00 C ATOM 562 NE ARG A 870 -1.616 -10.893 -6.126 1.00 0.00 N ATOM 563 CZ ARG A 870 -2.149 -12.075 -6.464 1.00 0.00 C ATOM 564 NH1 ARG A 870 -2.825 -12.200 -7.614 1.00 0.00 N ATOM 565 NH2 ARG A 870 -2.007 -13.132 -5.652 1.00 0.00 N ATOM 0 H ARG A 870 -1.585 -8.253 -4.178 1.00 0.00 H new ATOM 0 HA ARG A 870 -1.979 -7.147 -6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -3.338 -9.044 -4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -4.534 -8.108 -5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -3.860 -10.051 -7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -3.330 -8.579 -7.890 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -1.391 -9.925 -7.974 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -1.090 -8.912 -6.577 1.00 0.00 H new ATOM 0 HE ARG A 870 -1.105 -10.822 -5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 870 -2.934 -11.396 -8.232 1.00 0.00 H new ATOM 0 HH12 ARG A 870 -3.231 -13.100 -7.872 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -1.493 -13.037 -4.776 1.00 0.00 H new ATOM 0 HH22 ARG A 870 -2.413 -14.031 -5.910 1.00 0.00 H new ATOM 579 N TYR A 871 -4.167 -5.771 -4.497 1.00 0.00 N ATOM 580 CA TYR A 871 -4.997 -4.600 -4.297 1.00 0.00 C ATOM 581 C TYR A 871 -4.205 -3.343 -4.630 1.00 0.00 C ATOM 582 O TYR A 871 -4.457 -2.700 -5.646 1.00 0.00 O ATOM 583 CB TYR A 871 -5.484 -4.565 -2.851 1.00 0.00 C ATOM 584 CG TYR A 871 -6.619 -3.595 -2.621 1.00 0.00 C ATOM 585 CD1 TYR A 871 -7.722 -3.591 -3.484 1.00 0.00 C ATOM 586 CD2 TYR A 871 -6.569 -2.701 -1.546 1.00 0.00 C ATOM 587 CE1 TYR A 871 -8.774 -2.693 -3.271 1.00 0.00 C ATOM 588 CE2 TYR A 871 -7.621 -1.802 -1.332 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.724 -1.798 -2.195 1.00 0.00 C ATOM 590 OH TYR A 871 -9.749 -0.923 -1.987 1.00 0.00 O ATOM 0 H TYR A 871 -4.222 -6.458 -3.745 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.863 -4.645 -4.958 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.806 -5.565 -2.560 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.651 -4.297 -2.202 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -7.761 -4.281 -4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -5.718 -2.704 -0.881 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -9.625 -2.690 -3.937 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -7.582 -1.112 -0.502 1.00 0.00 H new ATOM 0 HH TYR A 871 -10.326 -1.259 -1.270 1.00 0.00 H new ATOM 600 N PHE A 872 -3.245 -2.995 -3.770 1.00 0.00 N ATOM 601 CA PHE A 872 -2.423 -1.820 -3.980 1.00 0.00 C ATOM 602 C PHE A 872 -2.009 -1.733 -5.442 1.00 0.00 C ATOM 603 O PHE A 872 -2.743 -1.192 -6.266 1.00 0.00 O ATOM 604 CB PHE A 872 -1.198 -1.889 -3.073 1.00 0.00 C ATOM 605 CG PHE A 872 -0.391 -0.613 -3.052 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.166 -0.118 -4.237 1.00 0.00 C ATOM 607 CD2 PHE A 872 -0.198 0.074 -1.847 1.00 0.00 C ATOM 608 CE1 PHE A 872 0.917 1.064 -4.217 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.553 1.256 -1.827 1.00 0.00 C ATOM 610 CZ PHE A 872 1.110 1.751 -3.012 1.00 0.00 C ATOM 0 H PHE A 872 -3.024 -3.517 -2.922 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.992 -0.924 -3.732 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -1.520 -2.123 -2.058 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -0.559 -2.709 -3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.017 -0.647 -5.166 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.628 -0.308 -0.933 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.347 1.446 -5.131 1.00 0.00 H new ATOM 0 HE2 PHE A 872 0.702 1.785 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.689 2.663 -2.997 1.00 0.00 H new ATOM 620 N VAL A 873 -0.828 -2.268 -5.762 1.00 0.00 N ATOM 621 CA VAL A 873 -0.323 -2.248 -7.119 1.00 0.00 C ATOM 622 C VAL A 873 -1.485 -2.201 -8.101 1.00 0.00 C ATOM 623 O VAL A 873 -1.423 -1.496 -9.105 1.00 0.00 O ATOM 624 CB VAL A 873 0.538 -3.486 -7.359 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.162 -4.569 -6.352 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.302 -4.003 -8.775 1.00 0.00 C ATOM 0 H VAL A 873 -0.208 -2.720 -5.090 1.00 0.00 H new ATOM 0 HA VAL A 873 0.291 -1.360 -7.270 1.00 0.00 H new ATOM 0 HB VAL A 873 1.590 -3.227 -7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 873 0.776 -5.453 -6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.331 -4.200 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.890 -4.829 -6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 873 0.916 -4.887 -8.947 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.750 -4.263 -8.897 1.00 0.00 H new ATOM 0 HG23 VAL A 873 0.570 -3.229 -9.494 1.00 0.00 H new ATOM 636 N ALA A 874 -2.547 -2.956 -7.808 1.00 0.00 N ATOM 637 CA ALA A 874 -3.715 -2.997 -8.664 1.00 0.00 C ATOM 638 C ALA A 874 -4.290 -1.596 -8.819 1.00 0.00 C ATOM 639 O ALA A 874 -4.591 -1.167 -9.931 1.00 0.00 O ATOM 640 CB ALA A 874 -4.751 -3.943 -8.064 1.00 0.00 C ATOM 0 H ALA A 874 -2.613 -3.546 -6.979 1.00 0.00 H new ATOM 0 HA ALA A 874 -3.435 -3.365 -9.651 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.630 -3.975 -8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -4.326 -4.943 -7.981 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -5.038 -3.588 -7.074 1.00 0.00 H new ATOM 646 N PHE A 875 -4.442 -0.884 -7.701 1.00 0.00 N ATOM 647 CA PHE A 875 -4.979 0.462 -7.721 1.00 0.00 C ATOM 648 C PHE A 875 -4.401 1.232 -8.900 1.00 0.00 C ATOM 649 O PHE A 875 -5.132 1.902 -9.625 1.00 0.00 O ATOM 650 CB PHE A 875 -4.650 1.160 -6.404 1.00 0.00 C ATOM 651 CG PHE A 875 -5.173 0.432 -5.189 1.00 0.00 C ATOM 652 CD1 PHE A 875 -5.704 -0.856 -5.320 1.00 0.00 C ATOM 653 CD2 PHE A 875 -5.130 1.047 -3.932 1.00 0.00 C ATOM 654 CE1 PHE A 875 -6.192 -1.530 -4.194 1.00 0.00 C ATOM 655 CE2 PHE A 875 -5.617 0.374 -2.806 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.148 -0.915 -2.937 1.00 0.00 C ATOM 0 H PHE A 875 -4.198 -1.226 -6.772 1.00 0.00 H new ATOM 0 HA PHE A 875 -6.062 0.423 -7.835 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.568 1.264 -6.318 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -5.067 2.167 -6.422 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -5.737 -1.330 -6.290 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -4.721 2.041 -3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -6.602 -2.524 -4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -5.583 0.849 -1.836 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.524 -1.435 -2.068 1.00 0.00 H new ATOM 666 N ASP A 876 -3.083 1.134 -9.090 1.00 0.00 N ATOM 667 CA ASP A 876 -2.414 1.821 -10.177 1.00 0.00 C ATOM 668 C ASP A 876 -1.016 2.234 -9.742 1.00 0.00 C ATOM 669 O ASP A 876 -0.344 2.989 -10.441 1.00 0.00 O ATOM 670 CB ASP A 876 -3.235 3.039 -10.589 1.00 0.00 C ATOM 671 CG ASP A 876 -4.101 2.727 -11.801 1.00 0.00 C ATOM 672 OD1 ASP A 876 -3.596 2.005 -12.688 1.00 0.00 O ATOM 673 OD2 ASP A 876 -5.251 3.216 -11.818 1.00 0.00 O ATOM 0 H ASP A 876 -2.463 0.581 -8.498 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.324 1.154 -11.034 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.866 3.355 -9.758 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.569 3.871 -10.818 1.00 0.00 H new ATOM 678 N GLY A 877 -0.576 1.738 -8.583 1.00 0.00 N ATOM 679 CA GLY A 877 0.738 2.061 -8.066 1.00 0.00 C ATOM 680 C GLY A 877 1.727 0.956 -8.411 1.00 0.00 C ATOM 681 O GLY A 877 1.656 0.369 -9.489 1.00 0.00 O ATOM 0 H GLY A 877 -1.119 1.110 -7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 877 1.079 3.008 -8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.689 2.190 -6.985 1.00 0.00 H new ATOM 685 N ASP A 878 2.652 0.673 -7.491 1.00 0.00 N ATOM 686 CA ASP A 878 3.649 -0.357 -7.702 1.00 0.00 C ATOM 687 C ASP A 878 4.188 -0.834 -6.361 1.00 0.00 C ATOM 688 O ASP A 878 4.110 -0.115 -5.367 1.00 0.00 O ATOM 689 CB ASP A 878 4.775 0.196 -8.571 1.00 0.00 C ATOM 690 CG ASP A 878 4.542 -0.136 -10.038 1.00 0.00 C ATOM 691 OD1 ASP A 878 3.495 -0.757 -10.320 1.00 0.00 O ATOM 692 OD2 ASP A 878 5.417 0.237 -10.850 1.00 0.00 O ATOM 0 H ASP A 878 2.724 1.150 -6.592 1.00 0.00 H new ATOM 0 HA ASP A 878 3.197 -1.207 -8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 878 4.840 1.277 -8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.728 -0.221 -8.247 1.00 0.00 H new ATOM 697 N LEU A 879 4.735 -2.052 -6.334 1.00 0.00 N ATOM 698 CA LEU A 879 5.283 -2.618 -5.117 1.00 0.00 C ATOM 699 C LEU A 879 6.677 -3.166 -5.384 1.00 0.00 C ATOM 700 O LEU A 879 6.855 -4.022 -6.248 1.00 0.00 O ATOM 701 CB LEU A 879 4.357 -3.719 -4.607 1.00 0.00 C ATOM 702 CG LEU A 879 2.919 -3.210 -4.599 1.00 0.00 C ATOM 703 CD1 LEU A 879 2.066 -4.110 -3.710 1.00 0.00 C ATOM 704 CD2 LEU A 879 2.887 -1.783 -4.059 1.00 0.00 C ATOM 0 H LEU A 879 4.806 -2.661 -7.149 1.00 0.00 H new ATOM 0 HA LEU A 879 5.360 -1.843 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 879 4.438 -4.601 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 879 4.653 -4.021 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 879 2.524 -3.223 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 879 1.038 -3.747 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 879 2.088 -5.129 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.461 -4.098 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 879 1.860 -1.419 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 879 3.283 -1.769 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 879 3.496 -1.140 -4.694 1.00 0.00 H new ATOM 716 N VAL A 880 7.668 -2.670 -4.639 1.00 0.00 N ATOM 717 CA VAL A 880 9.039 -3.112 -4.798 1.00 0.00 C ATOM 718 C VAL A 880 9.416 -4.043 -3.655 1.00 0.00 C ATOM 719 O VAL A 880 9.034 -3.809 -2.510 1.00 0.00 O ATOM 720 CB VAL A 880 9.962 -1.897 -4.834 1.00 0.00 C ATOM 721 CG1 VAL A 880 10.884 -1.995 -6.046 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.125 -0.625 -4.932 1.00 0.00 C ATOM 0 H VAL A 880 7.537 -1.959 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 880 9.144 -3.659 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 880 10.561 -1.868 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.544 -1.128 -6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.482 -2.904 -5.976 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.286 -2.024 -6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.784 0.243 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.526 -0.653 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.467 -0.555 -4.066 1.00 0.00 H new ATOM 732 N GLN A 881 10.167 -5.101 -3.967 1.00 0.00 N ATOM 733 CA GLN A 881 10.590 -6.060 -2.966 1.00 0.00 C ATOM 734 C GLN A 881 11.561 -5.401 -1.997 1.00 0.00 C ATOM 735 O GLN A 881 12.495 -4.721 -2.416 1.00 0.00 O ATOM 736 CB GLN A 881 11.241 -7.257 -3.654 1.00 0.00 C ATOM 737 CG GLN A 881 10.347 -7.739 -4.792 1.00 0.00 C ATOM 738 CD GLN A 881 11.140 -7.876 -6.084 1.00 0.00 C ATOM 739 OE1 GLN A 881 12.135 -8.595 -6.130 1.00 0.00 O ATOM 740 NE2 GLN A 881 10.695 -7.184 -7.136 1.00 0.00 N ATOM 0 H GLN A 881 10.492 -5.309 -4.911 1.00 0.00 H new ATOM 0 HA GLN A 881 9.725 -6.408 -2.401 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.221 -6.979 -4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.398 -8.061 -2.936 1.00 0.00 H new ATOM 0 HG2 GLN A 881 9.903 -8.699 -4.529 1.00 0.00 H new ATOM 0 HG3 GLN A 881 9.526 -7.037 -4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 881 9.863 -6.600 -7.048 1.00 0.00 H new ATOM 0 HE22 GLN A 881 11.187 -7.239 -8.028 1.00 0.00 H new ATOM 749 N GLU A 882 11.339 -5.604 -0.696 1.00 0.00 N ATOM 750 CA GLU A 882 12.196 -5.030 0.322 1.00 0.00 C ATOM 751 C GLU A 882 13.592 -4.806 -0.241 1.00 0.00 C ATOM 752 O GLU A 882 13.996 -3.668 -0.471 1.00 0.00 O ATOM 753 CB GLU A 882 12.243 -5.962 1.530 1.00 0.00 C ATOM 754 CG GLU A 882 13.070 -5.316 2.638 1.00 0.00 C ATOM 755 CD GLU A 882 13.864 -6.364 3.404 1.00 0.00 C ATOM 756 OE1 GLU A 882 14.282 -7.346 2.754 1.00 0.00 O ATOM 757 OE2 GLU A 882 14.038 -6.164 4.626 1.00 0.00 O ATOM 0 H GLU A 882 10.569 -6.164 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 882 11.796 -4.066 0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.233 -6.165 1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.679 -6.920 1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 882 13.750 -4.581 2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.413 -4.780 3.322 1.00 0.00 H new ATOM 764 N PHE A 883 14.330 -5.896 -0.463 1.00 0.00 N ATOM 765 CA PHE A 883 15.675 -5.811 -0.998 1.00 0.00 C ATOM 766 C PHE A 883 15.638 -5.208 -2.395 1.00 0.00 C ATOM 767 O PHE A 883 16.619 -5.282 -3.131 1.00 0.00 O ATOM 768 CB PHE A 883 16.298 -7.204 -1.025 1.00 0.00 C ATOM 769 CG PHE A 883 15.732 -8.096 -2.103 1.00 0.00 C ATOM 770 CD1 PHE A 883 14.580 -8.851 -1.854 1.00 0.00 C ATOM 771 CD2 PHE A 883 16.358 -8.167 -3.354 1.00 0.00 C ATOM 772 CE1 PHE A 883 14.054 -9.677 -2.855 1.00 0.00 C ATOM 773 CE2 PHE A 883 15.832 -8.993 -4.354 1.00 0.00 C ATOM 774 CZ PHE A 883 14.680 -9.748 -4.105 1.00 0.00 C ATOM 0 H PHE A 883 14.010 -6.847 -0.277 1.00 0.00 H new ATOM 0 HA PHE A 883 16.284 -5.167 -0.364 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.374 -7.109 -1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.148 -7.679 -0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 883 14.097 -8.797 -0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 883 17.247 -7.584 -3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 883 13.165 -10.259 -2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 883 16.315 -9.048 -5.318 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.274 -10.385 -4.877 1.00 0.00 H new ATOM 784 N ASP A 884 14.501 -4.609 -2.759 1.00 0.00 N ATOM 785 CA ASP A 884 14.343 -3.999 -4.063 1.00 0.00 C ATOM 786 C ASP A 884 13.464 -2.761 -3.949 1.00 0.00 C ATOM 787 O ASP A 884 12.240 -2.862 -3.987 1.00 0.00 O ATOM 788 CB ASP A 884 13.730 -5.011 -5.027 1.00 0.00 C ATOM 789 CG ASP A 884 14.693 -6.158 -5.295 1.00 0.00 C ATOM 790 OD1 ASP A 884 15.906 -5.871 -5.388 1.00 0.00 O ATOM 791 OD2 ASP A 884 14.198 -7.301 -5.403 1.00 0.00 O ATOM 0 H ASP A 884 13.679 -4.538 -2.160 1.00 0.00 H new ATOM 0 HA ASP A 884 15.317 -3.695 -4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 884 12.801 -5.400 -4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.476 -4.518 -5.965 1.00 0.00 H new ATOM 796 N MET A 885 14.091 -1.591 -3.809 1.00 0.00 N ATOM 797 CA MET A 885 13.362 -0.345 -3.688 1.00 0.00 C ATOM 798 C MET A 885 14.181 0.794 -4.280 1.00 0.00 C ATOM 799 O MET A 885 13.627 1.718 -4.871 1.00 0.00 O ATOM 800 CB MET A 885 13.051 -0.079 -2.218 1.00 0.00 C ATOM 801 CG MET A 885 14.101 -0.759 -1.345 1.00 0.00 C ATOM 802 SD MET A 885 13.643 -0.872 0.403 1.00 0.00 S ATOM 803 CE MET A 885 12.292 -2.070 0.271 1.00 0.00 C ATOM 0 H MET A 885 15.105 -1.490 -3.778 1.00 0.00 H new ATOM 0 HA MET A 885 12.424 -0.415 -4.238 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.042 0.994 -2.026 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.058 -0.455 -1.971 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.283 -1.763 -1.728 1.00 0.00 H new ATOM 0 HG3 MET A 885 15.039 -0.211 -1.430 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.312 -2.738 1.132 1.00 0.00 H new ATOM 0 HE2 MET A 885 11.339 -1.542 0.244 1.00 0.00 H new ATOM 0 HE3 MET A 885 12.410 -2.653 -0.643 1.00 0.00 H new ATOM 813 N THR A 886 15.504 0.726 -4.120 1.00 0.00 N ATOM 814 CA THR A 886 16.388 1.749 -4.640 1.00 0.00 C ATOM 815 C THR A 886 15.603 2.715 -5.517 1.00 0.00 C ATOM 816 O THR A 886 15.679 3.927 -5.332 1.00 0.00 O ATOM 817 CB THR A 886 17.515 1.093 -5.432 1.00 0.00 C ATOM 818 OG1 THR A 886 17.050 0.757 -6.720 1.00 0.00 O ATOM 819 CG2 THR A 886 17.974 -0.171 -4.711 1.00 0.00 C ATOM 0 H THR A 886 15.980 -0.033 -3.632 1.00 0.00 H new ATOM 0 HA THR A 886 16.822 2.312 -3.814 1.00 0.00 H new ATOM 0 HB THR A 886 18.351 1.787 -5.517 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.774 0.337 -7.230 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.779 -0.640 -5.276 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.333 0.088 -3.715 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.138 -0.865 -4.626 1.00 0.00 H new ATOM 827 N SER A 887 14.848 2.173 -6.475 1.00 0.00 N ATOM 828 CA SER A 887 14.054 2.986 -7.373 1.00 0.00 C ATOM 829 C SER A 887 12.620 3.062 -6.870 1.00 0.00 C ATOM 830 O SER A 887 11.841 3.894 -7.331 1.00 0.00 O ATOM 831 CB SER A 887 14.104 2.389 -8.777 1.00 0.00 C ATOM 832 OG SER A 887 15.001 3.133 -9.572 1.00 0.00 O ATOM 0 H SER A 887 14.776 1.169 -6.642 1.00 0.00 H new ATOM 0 HA SER A 887 14.459 3.997 -7.408 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.421 1.347 -8.730 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.110 2.400 -9.224 1.00 0.00 H new ATOM 0 HG SER A 887 15.035 2.749 -10.473 1.00 0.00 H new ATOM 838 N ALA A 888 12.272 2.191 -5.920 1.00 0.00 N ATOM 839 CA ALA A 888 10.936 2.164 -5.360 1.00 0.00 C ATOM 840 C ALA A 888 10.484 3.580 -5.036 1.00 0.00 C ATOM 841 O ALA A 888 11.237 4.533 -5.226 1.00 0.00 O ATOM 842 CB ALA A 888 10.929 1.294 -4.106 1.00 0.00 C ATOM 0 H ALA A 888 12.906 1.496 -5.527 1.00 0.00 H new ATOM 0 HA ALA A 888 10.242 1.739 -6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 888 9.924 1.273 -3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.235 0.280 -4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.622 1.707 -3.373 1.00 0.00 H new ATOM 848 N THR A 889 9.250 3.719 -4.545 1.00 0.00 N ATOM 849 CA THR A 889 8.710 5.018 -4.199 1.00 0.00 C ATOM 850 C THR A 889 8.160 4.989 -2.780 1.00 0.00 C ATOM 851 O THR A 889 8.359 5.930 -2.015 1.00 0.00 O ATOM 852 CB THR A 889 7.616 5.394 -5.195 1.00 0.00 C ATOM 853 OG1 THR A 889 7.683 6.776 -5.465 1.00 0.00 O ATOM 854 CG2 THR A 889 6.251 5.058 -4.603 1.00 0.00 C ATOM 0 H THR A 889 8.612 2.940 -4.381 1.00 0.00 H new ATOM 0 HA THR A 889 9.500 5.768 -4.245 1.00 0.00 H new ATOM 0 HB THR A 889 7.758 4.835 -6.120 1.00 0.00 H new ATOM 0 HG21 THR A 889 5.470 5.327 -5.314 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.199 3.990 -4.393 1.00 0.00 H new ATOM 0 HG23 THR A 889 6.108 5.617 -3.678 1.00 0.00 H new ATOM 862 N HIS A 890 7.465 3.905 -2.428 1.00 0.00 N ATOM 863 CA HIS A 890 6.891 3.764 -1.105 1.00 0.00 C ATOM 864 C HIS A 890 7.352 2.457 -0.475 1.00 0.00 C ATOM 865 O HIS A 890 7.802 1.552 -1.175 1.00 0.00 O ATOM 866 CB HIS A 890 5.369 3.808 -1.205 1.00 0.00 C ATOM 867 CG HIS A 890 4.840 5.203 -1.391 1.00 0.00 C ATOM 868 ND1 HIS A 890 5.398 6.184 -2.179 1.00 0.00 N ATOM 869 CD2 HIS A 890 3.717 5.725 -0.808 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.621 7.277 -2.068 1.00 0.00 C ATOM 871 NE2 HIS A 890 3.584 7.047 -1.244 1.00 0.00 N ATOM 0 HA HIS A 890 7.226 4.585 -0.472 1.00 0.00 H new ATOM 0 HB2 HIS A 890 5.046 3.187 -2.040 1.00 0.00 H new ATOM 0 HB3 HIS A 890 4.937 3.377 -0.302 1.00 0.00 H new ATOM 0 HD2 HIS A 890 3.052 5.208 -0.132 1.00 0.00 H new ATOM 0 HE1 HIS A 890 4.806 8.214 -2.573 1.00 0.00 H new ATOM 0 HE2 HIS A 890 2.848 7.705 -0.988 1.00 0.00 H new ATOM 879 N VAL A 891 7.239 2.360 0.852 1.00 0.00 N ATOM 880 CA VAL A 891 7.644 1.168 1.569 1.00 0.00 C ATOM 881 C VAL A 891 6.763 0.982 2.796 1.00 0.00 C ATOM 882 O VAL A 891 6.600 1.904 3.591 1.00 0.00 O ATOM 883 CB VAL A 891 9.111 1.290 1.970 1.00 0.00 C ATOM 884 CG1 VAL A 891 9.988 1.209 0.724 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.338 2.628 2.666 1.00 0.00 C ATOM 0 H VAL A 891 6.867 3.101 1.446 1.00 0.00 H new ATOM 0 HA VAL A 891 7.529 0.295 0.927 1.00 0.00 H new ATOM 0 HB VAL A 891 9.371 0.478 2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.036 1.296 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 891 9.826 0.253 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 891 9.729 2.020 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.386 2.716 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.078 3.440 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.712 2.686 3.557 1.00 0.00 H new ATOM 895 N LEU A 892 6.194 -0.217 2.949 1.00 0.00 N ATOM 896 CA LEU A 892 5.334 -0.518 4.076 1.00 0.00 C ATOM 897 C LEU A 892 6.180 -0.882 5.288 1.00 0.00 C ATOM 898 O LEU A 892 6.954 -1.837 5.243 1.00 0.00 O ATOM 899 CB LEU A 892 4.396 -1.663 3.708 1.00 0.00 C ATOM 900 CG LEU A 892 2.980 -1.329 4.170 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.052 -1.265 2.961 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.491 -2.409 5.131 1.00 0.00 C ATOM 0 H LEU A 892 6.320 -0.992 2.298 1.00 0.00 H new ATOM 0 HA LEU A 892 4.736 0.358 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.409 -1.826 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.734 -2.588 4.175 1.00 0.00 H new ATOM 0 HG LEU A 892 2.981 -0.364 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 892 1.041 -1.027 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.401 -0.494 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 892 2.050 -2.229 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.480 -2.171 5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.490 -3.374 4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.154 -2.454 5.995 1.00 0.00 H new ATOM 914 N GLY A 893 6.032 -0.120 6.374 1.00 0.00 N ATOM 915 CA GLY A 893 6.784 -0.370 7.587 1.00 0.00 C ATOM 916 C GLY A 893 8.278 -0.337 7.299 1.00 0.00 C ATOM 917 O GLY A 893 8.789 -1.178 6.563 1.00 0.00 O ATOM 0 H GLY A 893 5.395 0.675 6.430 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.535 0.380 8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 893 6.508 -1.340 8.001 1.00 0.00 H new ATOM 921 N SER A 894 8.978 0.639 7.882 1.00 0.00 N ATOM 922 CA SER A 894 10.407 0.775 7.685 1.00 0.00 C ATOM 923 C SER A 894 10.686 1.361 6.308 1.00 0.00 C ATOM 924 O SER A 894 9.785 1.454 5.477 1.00 0.00 O ATOM 925 CB SER A 894 11.073 -0.589 7.838 1.00 0.00 C ATOM 926 OG SER A 894 11.384 -0.811 9.195 1.00 0.00 O ATOM 0 H SER A 894 8.569 1.344 8.495 1.00 0.00 H new ATOM 0 HA SER A 894 10.818 1.451 8.435 1.00 0.00 H new ATOM 0 HB2 SER A 894 10.409 -1.373 7.473 1.00 0.00 H new ATOM 0 HB3 SER A 894 11.980 -0.633 7.234 1.00 0.00 H new ATOM 0 HG SER A 894 11.810 -1.688 9.294 1.00 0.00 H new ATOM 932 N ARG A 895 11.939 1.755 6.068 1.00 0.00 N ATOM 933 CA ARG A 895 12.330 2.328 4.796 1.00 0.00 C ATOM 934 C ARG A 895 13.734 1.867 4.433 1.00 0.00 C ATOM 935 O ARG A 895 14.051 1.706 3.256 1.00 0.00 O ATOM 936 CB ARG A 895 12.267 3.850 4.885 1.00 0.00 C ATOM 937 CG ARG A 895 13.104 4.325 6.069 1.00 0.00 C ATOM 938 CD ARG A 895 13.375 5.821 5.934 1.00 0.00 C ATOM 939 NE ARG A 895 14.795 6.118 6.124 1.00 0.00 N ATOM 940 CZ ARG A 895 15.261 7.364 6.281 1.00 0.00 C ATOM 941 NH1 ARG A 895 14.415 8.403 6.269 1.00 0.00 N ATOM 942 NH2 ARG A 895 16.574 7.572 6.451 1.00 0.00 N ATOM 0 H ARG A 895 12.697 1.683 6.747 1.00 0.00 H new ATOM 0 HA ARG A 895 11.646 1.994 4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 895 12.638 4.295 3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.233 4.176 5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.580 4.123 7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 895 14.045 3.776 6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 895 13.057 6.164 4.949 1.00 0.00 H new ATOM 0 HD3 ARG A 895 12.784 6.369 6.668 1.00 0.00 H new ATOM 0 HE ARG A 895 15.458 5.343 6.137 1.00 0.00 H new ATOM 0 HH11 ARG A 895 13.416 8.245 6.140 1.00 0.00 H new ATOM 0 HH12 ARG A 895 14.770 9.352 6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 895 17.219 6.781 6.461 1.00 0.00 H new ATOM 0 HH22 ARG A 895 16.929 8.521 6.571 1.00 0.00 H new ATOM 956 N ASP A 896 14.575 1.653 5.447 1.00 0.00 N ATOM 957 CA ASP A 896 15.939 1.213 5.229 1.00 0.00 C ATOM 958 C ASP A 896 16.103 0.738 3.792 1.00 0.00 C ATOM 959 O ASP A 896 16.655 1.454 2.959 1.00 0.00 O ATOM 960 CB ASP A 896 16.274 0.094 6.211 1.00 0.00 C ATOM 961 CG ASP A 896 17.464 -0.720 5.722 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.442 -0.082 5.276 1.00 0.00 O ATOM 963 OD2 ASP A 896 17.374 -1.964 5.804 1.00 0.00 O ATOM 0 H ASP A 896 14.326 1.780 6.428 1.00 0.00 H new ATOM 0 HA ASP A 896 16.625 2.043 5.397 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.496 0.518 7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.409 -0.558 6.335 1.00 0.00 H new ATOM 968 N LYS A 897 15.622 -0.474 3.503 1.00 0.00 N ATOM 969 CA LYS A 897 15.719 -1.035 2.170 1.00 0.00 C ATOM 970 C LYS A 897 15.664 0.079 1.134 1.00 0.00 C ATOM 971 O LYS A 897 16.302 -0.012 0.088 1.00 0.00 O ATOM 972 CB LYS A 897 14.583 -2.030 1.955 1.00 0.00 C ATOM 973 CG LYS A 897 13.630 -1.979 3.145 1.00 0.00 C ATOM 974 CD LYS A 897 12.676 -0.799 2.984 1.00 0.00 C ATOM 975 CE LYS A 897 12.032 -0.477 4.330 1.00 0.00 C ATOM 976 NZ LYS A 897 10.664 0.032 4.152 1.00 0.00 N ATOM 0 H LYS A 897 15.162 -1.080 4.182 1.00 0.00 H new ATOM 0 HA LYS A 897 16.669 -1.558 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.047 -1.793 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 897 14.984 -3.037 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.066 -2.909 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.194 -1.880 4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.216 0.071 2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 897 11.907 -1.037 2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.013 -1.372 4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.634 0.264 4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.074 -0.270 4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.683 1.071 4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.266 -0.345 3.268 1.00 0.00 H new ATOM 990 N ASN A 898 14.898 1.132 1.428 1.00 0.00 N ATOM 991 CA ASN A 898 14.765 2.255 0.522 1.00 0.00 C ATOM 992 C ASN A 898 14.264 3.477 1.279 1.00 0.00 C ATOM 993 O ASN A 898 13.064 3.622 1.503 1.00 0.00 O ATOM 994 CB ASN A 898 13.805 1.886 -0.605 1.00 0.00 C ATOM 995 CG ASN A 898 14.440 2.138 -1.965 1.00 0.00 C ATOM 996 OD1 ASN A 898 15.586 1.760 -2.196 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.692 2.777 -2.867 1.00 0.00 N ATOM 0 H ASN A 898 14.362 1.222 2.291 1.00 0.00 H new ATOM 0 HA ASN A 898 15.737 2.495 0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.524 0.836 -0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 898 12.889 2.470 -0.513 1.00 0.00 H new ATOM 0 HD21 ASN A 898 14.067 2.971 -3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 898 12.745 3.071 -2.628 1.00 0.00 H new ATOM 1004 N PRO A 899 15.187 4.356 1.674 1.00 0.00 N ATOM 1005 CA PRO A 899 14.898 5.573 2.401 1.00 0.00 C ATOM 1006 C PRO A 899 14.236 6.579 1.470 1.00 0.00 C ATOM 1007 O PRO A 899 13.705 7.591 1.922 1.00 0.00 O ATOM 1008 CB PRO A 899 16.258 6.079 2.875 1.00 0.00 C ATOM 1009 CG PRO A 899 17.205 5.573 1.788 1.00 0.00 C ATOM 1010 CD PRO A 899 16.606 4.216 1.427 1.00 0.00 C ATOM 0 HA PRO A 899 14.216 5.416 3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.279 7.166 2.956 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.518 5.681 3.856 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.233 6.245 0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.228 5.480 2.153 1.00 0.00 H new ATOM 0 HD2 PRO A 899 16.802 3.962 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 899 17.036 3.420 2.035 1.00 0.00 H new ATOM 1018 N ALA A 900 14.269 6.298 0.165 1.00 0.00 N ATOM 1019 CA ALA A 900 13.676 7.179 -0.821 1.00 0.00 C ATOM 1020 C ALA A 900 12.208 6.825 -1.012 1.00 0.00 C ATOM 1021 O ALA A 900 11.498 7.495 -1.759 1.00 0.00 O ATOM 1022 CB ALA A 900 14.438 7.053 -2.137 1.00 0.00 C ATOM 0 H ALA A 900 14.704 5.462 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 900 13.738 8.211 -0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 900 13.993 7.715 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.481 7.330 -1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.385 6.023 -2.491 1.00 0.00 H new ATOM 1028 N ALA A 901 11.754 5.768 -0.334 1.00 0.00 N ATOM 1029 CA ALA A 901 10.376 5.331 -0.433 1.00 0.00 C ATOM 1030 C ALA A 901 9.541 6.013 0.642 1.00 0.00 C ATOM 1031 O ALA A 901 9.896 7.088 1.118 1.00 0.00 O ATOM 1032 CB ALA A 901 10.313 3.814 -0.285 1.00 0.00 C ATOM 0 H ALA A 901 12.330 5.203 0.290 1.00 0.00 H new ATOM 0 HA ALA A 901 9.972 5.605 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.277 3.484 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 901 10.900 3.347 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 901 10.717 3.526 0.686 1.00 0.00 H new ATOM 1038 N GLN A 902 8.427 5.383 1.023 1.00 0.00 N ATOM 1039 CA GLN A 902 7.548 5.932 2.036 1.00 0.00 C ATOM 1040 C GLN A 902 7.310 4.899 3.128 1.00 0.00 C ATOM 1041 O GLN A 902 6.998 3.746 2.837 1.00 0.00 O ATOM 1042 CB GLN A 902 6.230 6.351 1.391 1.00 0.00 C ATOM 1043 CG GLN A 902 6.387 7.732 0.761 1.00 0.00 C ATOM 1044 CD GLN A 902 6.866 8.746 1.789 1.00 0.00 C ATOM 1045 OE1 GLN A 902 6.557 8.497 3.064 1.00 0.00 O flip ATOM 1046 NE2 GLN A 902 7.504 9.736 1.438 1.00 0.00 N flip ATOM 0 H GLN A 902 8.119 4.490 0.639 1.00 0.00 H new ATOM 0 HA GLN A 902 8.011 6.809 2.489 1.00 0.00 H new ATOM 0 HB2 GLN A 902 5.937 5.625 0.633 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.437 6.369 2.138 1.00 0.00 H new ATOM 0 HG2 GLN A 902 7.097 7.681 -0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.434 8.055 0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 902 7.716 9.883 0.451 1.00 0.00 H new ATOM 0 HE22 GLN A 902 7.822 10.411 2.134 1.00 0.00 H new ATOM 1055 N GLN A 903 7.456 5.316 4.388 1.00 0.00 N ATOM 1056 CA GLN A 903 7.257 4.426 5.514 1.00 0.00 C ATOM 1057 C GLN A 903 5.788 4.417 5.912 1.00 0.00 C ATOM 1058 O GLN A 903 5.442 4.800 7.028 1.00 0.00 O ATOM 1059 CB GLN A 903 8.130 4.881 6.680 1.00 0.00 C ATOM 1060 CG GLN A 903 9.572 4.448 6.436 1.00 0.00 C ATOM 1061 CD GLN A 903 10.512 5.644 6.474 1.00 0.00 C ATOM 1062 OE1 GLN A 903 11.102 5.940 7.511 1.00 0.00 O ATOM 1063 NE2 GLN A 903 10.650 6.333 5.338 1.00 0.00 N ATOM 0 H GLN A 903 7.712 6.269 4.645 1.00 0.00 H new ATOM 0 HA GLN A 903 7.543 3.412 5.236 1.00 0.00 H new ATOM 0 HB2 GLN A 903 8.078 5.965 6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 903 7.763 4.451 7.612 1.00 0.00 H new ATOM 0 HG2 GLN A 903 9.871 3.722 7.192 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.648 3.951 5.469 1.00 0.00 H new ATOM 0 HE21 GLN A 903 10.138 6.047 4.503 1.00 0.00 H new ATOM 0 HE22 GLN A 903 11.267 7.145 5.306 1.00 0.00 H new ATOM 1072 N VAL A 904 4.922 3.977 4.996 1.00 0.00 N ATOM 1073 CA VAL A 904 3.498 3.920 5.254 1.00 0.00 C ATOM 1074 C VAL A 904 3.157 2.624 5.976 1.00 0.00 C ATOM 1075 O VAL A 904 4.010 1.752 6.125 1.00 0.00 O ATOM 1076 CB VAL A 904 2.738 4.020 3.934 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.690 4.475 2.832 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.160 2.654 3.576 1.00 0.00 C ATOM 0 H VAL A 904 5.193 3.655 4.067 1.00 0.00 H new ATOM 0 HA VAL A 904 3.206 4.755 5.890 1.00 0.00 H new ATOM 0 HB VAL A 904 1.928 4.742 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.148 4.546 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.103 5.451 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.500 3.753 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.617 2.724 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 904 2.970 1.931 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.480 2.329 4.363 1.00 0.00 H new ATOM 1088 N SER A 905 1.906 2.498 6.423 1.00 0.00 N ATOM 1089 CA SER A 905 1.461 1.311 7.124 1.00 0.00 C ATOM 1090 C SER A 905 0.146 0.824 6.533 1.00 0.00 C ATOM 1091 O SER A 905 -0.262 1.275 5.465 1.00 0.00 O ATOM 1092 CB SER A 905 1.302 1.627 8.609 1.00 0.00 C ATOM 1093 OG SER A 905 -0.040 1.965 8.876 1.00 0.00 O ATOM 0 H SER A 905 1.187 3.212 6.307 1.00 0.00 H new ATOM 0 HA SER A 905 2.202 0.519 7.011 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.598 0.766 9.209 1.00 0.00 H new ATOM 0 HB3 SER A 905 1.958 2.451 8.889 1.00 0.00 H new ATOM 0 HG SER A 905 -0.143 2.166 9.830 1.00 0.00 H new ATOM 1099 N PRO A 906 -0.519 -0.099 7.231 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.783 -0.675 6.826 1.00 0.00 C ATOM 1101 C PRO A 906 -2.891 0.354 6.998 1.00 0.00 C ATOM 1102 O PRO A 906 -3.902 0.304 6.300 1.00 0.00 O ATOM 1103 CB PRO A 906 -1.990 -1.864 7.763 1.00 0.00 C ATOM 1104 CG PRO A 906 -1.270 -1.421 9.036 1.00 0.00 C ATOM 1105 CD PRO A 906 -0.068 -0.652 8.490 1.00 0.00 C ATOM 0 HA PRO A 906 -1.793 -0.983 5.780 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -3.047 -2.058 7.943 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -1.563 -2.780 7.355 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -1.903 -0.792 9.662 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -0.964 -2.271 9.645 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.243 0.134 9.178 1.00 0.00 H new ATOM 0 HD3 PRO A 906 0.790 -1.309 8.348 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.701 1.289 7.932 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.685 2.322 8.189 1.00 0.00 C ATOM 1115 C GLU A 907 -3.694 3.326 7.044 1.00 0.00 C ATOM 1116 O GLU A 907 -4.730 3.913 6.739 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.363 3.012 9.511 1.00 0.00 C ATOM 1118 CG GLU A 907 -4.192 2.384 10.628 1.00 0.00 C ATOM 1119 CD GLU A 907 -3.298 1.668 11.630 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -2.709 2.379 12.474 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -3.221 0.425 11.535 1.00 0.00 O ATOM 0 H GLU A 907 -1.869 1.345 8.520 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.676 1.875 8.259 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.300 2.916 9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -3.579 4.078 9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -4.769 3.156 11.136 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -4.907 1.679 10.204 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.536 3.522 6.410 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.422 4.451 5.304 1.00 0.00 C ATOM 1130 C TRP A 908 -3.236 3.949 4.119 1.00 0.00 C ATOM 1131 O TRP A 908 -4.053 4.683 3.569 1.00 0.00 O ATOM 1132 CB TRP A 908 -0.953 4.608 4.923 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.695 5.538 3.781 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.665 6.886 3.863 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.429 5.218 2.381 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.401 7.419 2.619 1.00 0.00 N ATOM 1137 CE2 TRP A 908 -0.247 6.433 1.666 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.324 4.026 1.642 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 0.024 6.465 0.295 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 -0.052 4.047 0.266 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.122 5.261 -0.409 1.00 0.00 C ATOM 0 H TRP A 908 -1.667 3.045 6.651 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.814 5.424 5.601 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.403 4.964 5.794 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.551 3.627 4.671 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.824 7.459 4.765 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.329 8.418 2.427 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.455 3.078 2.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.156 7.408 -0.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 0.024 3.117 -0.278 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.331 5.268 -1.469 1.00 0.00 H new ATOM 1152 N ILE A 909 -3.009 2.692 3.728 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.720 2.096 2.615 1.00 0.00 C ATOM 1154 C ILE A 909 -5.211 2.372 2.749 1.00 0.00 C ATOM 1155 O ILE A 909 -5.826 2.924 1.838 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.447 0.595 2.583 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -2.247 0.314 1.684 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.673 -0.133 2.038 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -1.168 -0.407 2.487 1.00 0.00 C ATOM 0 H ILE A 909 -2.333 2.072 4.174 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.373 2.534 1.679 1.00 0.00 H new ATOM 0 HB ILE A 909 -3.234 0.243 3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.551 -0.296 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.854 1.248 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.479 -1.205 2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.530 0.067 2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.886 0.219 1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.310 -0.608 1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.857 0.220 3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.565 -1.348 2.867 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.792 1.988 3.887 1.00 0.00 N ATOM 1172 CA TRP A 910 -7.205 2.199 4.129 1.00 0.00 C ATOM 1173 C TRP A 910 -7.522 3.687 4.085 1.00 0.00 C ATOM 1174 O TRP A 910 -8.373 4.121 3.311 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.583 1.606 5.483 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.950 0.287 5.791 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -6.205 0.015 6.885 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -6.988 -0.951 5.017 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.783 -1.297 6.842 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.238 -1.940 5.709 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.580 -1.339 3.802 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -6.083 -3.241 5.223 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.431 -2.642 3.306 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -6.685 -3.593 4.011 1.00 0.00 C ATOM 0 H TRP A 910 -5.298 1.529 4.652 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.787 1.702 3.353 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -7.308 2.316 6.264 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.666 1.491 5.523 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -5.975 0.718 7.672 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -5.206 -1.738 7.559 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -8.160 -0.621 3.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.505 -3.966 5.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -7.897 -2.914 2.370 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -6.575 -4.594 3.621 1.00 0.00 H new ATOM 1195 N ALA A 911 -6.833 4.470 4.919 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.044 5.902 4.973 1.00 0.00 C ATOM 1197 C ALA A 911 -6.939 6.491 3.573 1.00 0.00 C ATOM 1198 O ALA A 911 -7.679 7.409 3.227 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.011 6.533 5.903 1.00 0.00 C ATOM 0 H ALA A 911 -6.123 4.126 5.565 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.040 6.113 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.169 7.611 5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.117 6.112 6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.009 6.327 5.527 1.00 0.00 H new ATOM 1205 N CYS A 912 -6.016 5.960 2.768 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.816 6.429 1.412 1.00 0.00 C ATOM 1207 C CYS A 912 -6.964 5.953 0.533 1.00 0.00 C ATOM 1208 O CYS A 912 -7.841 6.737 0.179 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.480 5.912 0.887 1.00 0.00 C ATOM 1210 SG CYS A 912 -3.191 6.299 2.098 1.00 0.00 S ATOM 0 H CYS A 912 -5.395 5.199 3.043 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.797 7.519 1.396 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -4.531 4.836 0.720 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.247 6.373 -0.073 1.00 0.00 H new ATOM 0 HG CYS A 912 -2.094 5.679 1.777 1.00 0.00 H new ATOM 1216 N ILE A 913 -6.956 4.665 0.181 1.00 0.00 N ATOM 1217 CA ILE A 913 -7.993 4.092 -0.652 1.00 0.00 C ATOM 1218 C ILE A 913 -9.353 4.619 -0.216 1.00 0.00 C ATOM 1219 O ILE A 913 -10.245 4.801 -1.042 1.00 0.00 O ATOM 1220 CB ILE A 913 -7.944 2.570 -0.550 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -9.107 1.969 -1.335 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -8.050 2.155 0.914 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -8.818 0.499 -1.626 1.00 0.00 C ATOM 0 HA ILE A 913 -7.830 4.378 -1.691 1.00 0.00 H new ATOM 0 HB ILE A 913 -7.002 2.209 -0.963 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -10.032 2.063 -0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -9.250 2.514 -2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -8.015 1.068 0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -7.219 2.583 1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -8.992 2.517 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -9.648 0.069 -2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -7.903 0.417 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -8.696 -0.041 -0.687 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.511 4.864 1.087 1.00 0.00 N ATOM 1236 CA ARG A 914 -10.759 5.367 1.625 1.00 0.00 C ATOM 1237 C ARG A 914 -10.919 6.838 1.268 1.00 0.00 C ATOM 1238 O ARG A 914 -12.035 7.313 1.073 1.00 0.00 O ATOM 1239 CB ARG A 914 -10.773 5.174 3.139 1.00 0.00 C ATOM 1240 CG ARG A 914 -12.143 5.561 3.688 1.00 0.00 C ATOM 1241 CD ARG A 914 -13.226 5.139 2.699 1.00 0.00 C ATOM 1242 NE ARG A 914 -14.528 5.684 3.081 1.00 0.00 N ATOM 1243 CZ ARG A 914 -15.212 5.249 4.148 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -14.707 4.275 4.916 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -16.402 5.788 4.446 1.00 0.00 N ATOM 0 H ARG A 914 -8.781 4.719 1.785 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.594 4.816 1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -10.550 4.136 3.386 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -9.998 5.785 3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -12.309 5.081 4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -12.188 6.637 3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -12.963 5.483 1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -13.281 4.051 2.658 1.00 0.00 H new ATOM 0 HE ARG A 914 -14.933 6.427 2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -13.801 3.864 4.689 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -15.228 3.944 5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -16.787 6.529 3.861 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -16.923 5.457 5.258 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.799 7.559 1.182 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.822 8.969 0.849 1.00 0.00 C ATOM 1261 C LYS A 915 -9.716 9.147 -0.659 1.00 0.00 C ATOM 1262 O LYS A 915 -9.693 10.272 -1.154 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.673 9.678 1.559 1.00 0.00 C ATOM 1264 CG LYS A 915 -8.904 9.636 3.067 1.00 0.00 C ATOM 1265 CD LYS A 915 -9.916 10.708 3.458 1.00 0.00 C ATOM 1266 CE LYS A 915 -10.358 10.489 4.902 1.00 0.00 C ATOM 1267 NZ LYS A 915 -11.703 9.896 4.958 1.00 0.00 N ATOM 0 H LYS A 915 -8.865 7.180 1.341 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.763 9.408 1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.727 9.197 1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -8.604 10.711 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.268 8.652 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -7.964 9.799 3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -9.473 11.698 3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -10.778 10.669 2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -9.647 9.836 5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -10.353 11.439 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -11.980 9.757 5.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -12.383 10.532 4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -11.699 8.978 4.468 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.650 8.031 -1.389 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.545 8.068 -2.834 1.00 0.00 C ATOM 1283 C ARG A 916 -8.343 8.907 -3.242 1.00 0.00 C ATOM 1284 O ARG A 916 -8.140 9.170 -4.426 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.831 8.645 -3.422 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.536 7.574 -4.250 1.00 0.00 C ATOM 1287 CD ARG A 916 -11.070 7.665 -5.701 1.00 0.00 C ATOM 1288 NE ARG A 916 -12.186 7.979 -6.592 1.00 0.00 N ATOM 1289 CZ ARG A 916 -12.136 7.780 -7.916 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -11.030 7.272 -8.476 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -13.192 8.089 -8.681 1.00 0.00 N ATOM 0 H ARG A 916 -9.668 7.091 -0.993 1.00 0.00 H new ATOM 0 HA ARG A 916 -9.406 7.058 -3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -11.486 8.992 -2.622 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.603 9.510 -4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -11.317 6.585 -3.848 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -12.616 7.708 -4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -10.301 8.432 -5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -10.616 6.721 -6.001 1.00 0.00 H new ATOM 0 HE ARG A 916 -13.039 8.366 -6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -10.226 7.037 -7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -10.992 7.121 -9.484 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -14.034 8.476 -8.255 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -13.153 7.937 -9.689 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.544 9.327 -2.259 1.00 0.00 N ATOM 1306 CA ARG A 917 -6.369 10.133 -2.519 1.00 0.00 C ATOM 1307 C ARG A 917 -5.304 9.846 -1.470 1.00 0.00 C ATOM 1308 O ARG A 917 -5.550 10.000 -0.275 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.753 11.610 -2.509 1.00 0.00 C ATOM 1310 CG ARG A 917 -6.729 12.132 -1.075 1.00 0.00 C ATOM 1311 CD ARG A 917 -5.296 12.481 -0.684 1.00 0.00 C ATOM 1312 NE ARG A 917 -5.163 13.910 -0.400 1.00 0.00 N ATOM 1313 CZ ARG A 917 -4.881 14.815 -1.346 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -4.709 14.425 -2.617 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -4.770 16.111 -1.023 1.00 0.00 N ATOM 0 H ARG A 917 -7.698 9.116 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.962 9.884 -3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -6.060 12.181 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -7.746 11.742 -2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -7.366 13.012 -0.986 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -7.129 11.379 -0.396 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -5.004 11.904 0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -4.617 12.202 -1.490 1.00 0.00 H new ATOM 0 HE ARG A 917 -5.291 14.231 0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -4.793 13.439 -2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -4.494 15.114 -3.337 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -4.900 16.409 -0.056 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -4.555 16.800 -1.744 1.00 0.00 H new ATOM 1329 N LEU A 918 -4.118 9.429 -1.919 1.00 0.00 N ATOM 1330 CA LEU A 918 -3.024 9.123 -1.019 1.00 0.00 C ATOM 1331 C LEU A 918 -2.998 10.129 0.123 1.00 0.00 C ATOM 1332 O LEU A 918 -2.980 11.336 -0.110 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.708 9.149 -1.792 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.517 7.820 -2.516 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -2.542 6.811 -2.006 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -1.707 8.025 -4.016 1.00 0.00 C ATOM 0 H LEU A 918 -3.899 9.298 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 918 -3.163 8.128 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.712 9.969 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.877 9.326 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.512 7.444 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -2.406 5.861 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -2.406 6.664 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -3.548 7.186 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -1.570 7.075 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -2.712 8.401 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -0.974 8.745 -4.380 1.00 0.00 H new ATOM 1348 N VAL A 919 -2.995 9.629 1.361 1.00 0.00 N ATOM 1349 CA VAL A 919 -2.971 10.483 2.531 1.00 0.00 C ATOM 1350 C VAL A 919 -1.562 10.532 3.104 1.00 0.00 C ATOM 1351 O VAL A 919 -0.613 10.088 2.461 1.00 0.00 O ATOM 1352 CB VAL A 919 -3.958 9.952 3.567 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -5.119 9.261 2.857 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -3.251 8.952 4.477 1.00 0.00 C ATOM 0 H VAL A 919 -3.009 8.631 1.570 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.265 11.495 2.254 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.339 10.781 4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.824 8.882 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.624 9.975 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.739 8.432 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -3.955 8.572 5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.870 8.123 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.422 9.445 4.985 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.428 11.073 4.317 1.00 0.00 N ATOM 1365 CA ALA A 920 -0.138 11.178 4.968 1.00 0.00 C ATOM 1366 C ALA A 920 0.387 9.788 5.299 1.00 0.00 C ATOM 1367 O ALA A 920 -0.182 9.090 6.135 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.275 12.020 6.234 1.00 0.00 C ATOM 0 H ALA A 920 -2.206 11.444 4.863 1.00 0.00 H new ATOM 0 HA ALA A 920 0.573 11.664 4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.695 12.100 6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.632 13.016 5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -0.986 11.546 6.911 1.00 0.00 H new ATOM 1374 N PRO A 921 1.477 9.387 4.639 1.00 0.00 N ATOM 1375 CA PRO A 921 2.115 8.102 4.824 1.00 0.00 C ATOM 1376 C PRO A 921 2.832 8.076 6.167 1.00 0.00 C ATOM 1377 O PRO A 921 3.589 8.990 6.486 1.00 0.00 O ATOM 1378 CB PRO A 921 3.109 7.989 3.670 1.00 0.00 C ATOM 1379 CG PRO A 921 3.486 9.446 3.405 1.00 0.00 C ATOM 1380 CD PRO A 921 2.171 10.182 3.650 1.00 0.00 C ATOM 0 HA PRO A 921 1.407 7.273 4.826 1.00 0.00 H new ATOM 0 HB2 PRO A 921 3.978 7.389 3.942 1.00 0.00 H new ATOM 0 HB3 PRO A 921 2.660 7.521 2.794 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.273 9.789 4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 921 3.848 9.592 2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.347 11.195 4.011 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.589 10.267 2.732 1.00 0.00 H new ATOM 1388 N CYS A 922 2.589 7.025 6.953 1.00 0.00 N ATOM 1389 CA CYS A 922 3.207 6.881 8.256 1.00 0.00 C ATOM 1390 C CYS A 922 2.294 7.469 9.322 1.00 0.00 C ATOM 1391 O CYS A 922 1.429 6.775 9.851 1.00 0.00 O ATOM 1392 CB CYS A 922 4.563 7.581 8.255 1.00 0.00 C ATOM 1393 SG CYS A 922 5.597 6.846 9.546 1.00 0.00 S ATOM 0 H CYS A 922 1.963 6.261 6.700 1.00 0.00 H new ATOM 0 HA CYS A 922 3.361 5.825 8.479 1.00 0.00 H new ATOM 0 HB2 CYS A 922 5.042 7.475 7.282 1.00 0.00 H new ATOM 0 HB3 CYS A 922 4.437 8.649 8.434 1.00 0.00 H new ATOM 0 HG CYS A 922 6.021 5.682 9.152 1.00 0.00 H new TER 1399 CYS A 922