USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=18 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 Single : A 836 SER OG : rot 180:sc= 0.0582 USER MOD Single : A 840 THR OG1 : rot 180:sc= -0.655 USER MOD Single : A 842 CYS SG : rot -33:sc= 0.275 USER MOD Single : A 843 GLN : amide:sc=-0.00533 X(o=-0.0053,f=-0.075) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.19 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -90:sc= -1.6! USER MOD Single : A 866 SER OG : rot 180:sc= 0 USER MOD Single : A 881 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.4) USER MOD Single : A 885 MET CE :methyl 138:sc= -14! (180deg=-22.5!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.514 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 890 HIS : no HD1:sc= -19.5! C(o=-19!,f=-22!) USER MOD Single : A 894 SER OG : rot 180:sc= 0 USER MOD Single : A 897 LYS NZ :NH3+ 126:sc= -10.8! (180deg=-15.3!) USER MOD Single : A 898 ASN : amide:sc= -21.8! C(o=-22!,f=-29!) USER MOD Single : A 902 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.59) USER MOD Single : A 903 GLN : amide:sc= -10.3! C(o=-10!,f=-11!) USER MOD Single : A 905 SER OG : rot -152:sc= -2.89! USER MOD Single : A 912 CYS SG : rot 155:sc= -10.7! USER MOD Single : A 915 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0174) USER MOD Single : A 922 CYS SG : rot -9:sc= 0.655 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 835 -8.483 -1.279 11.077 1.00 0.00 N ATOM 2 CA GLY A 835 -8.563 -2.565 10.415 1.00 0.00 C ATOM 3 C GLY A 835 -9.915 -2.725 9.735 1.00 0.00 C ATOM 4 O GLY A 835 -10.550 -3.771 9.849 1.00 0.00 O ATOM 0 HA2 GLY A 835 -7.765 -2.653 9.678 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -8.416 -3.365 11.141 1.00 0.00 H new ATOM 8 N SER A 836 -10.355 -1.683 9.026 1.00 0.00 N ATOM 9 CA SER A 836 -11.627 -1.713 8.333 1.00 0.00 C ATOM 10 C SER A 836 -11.501 -2.539 7.060 1.00 0.00 C ATOM 11 O SER A 836 -12.445 -2.626 6.278 1.00 0.00 O ATOM 12 CB SER A 836 -12.064 -0.287 8.010 1.00 0.00 C ATOM 13 OG SER A 836 -10.962 0.442 7.518 1.00 0.00 O ATOM 0 H SER A 836 -9.840 -0.809 8.922 1.00 0.00 H new ATOM 0 HA SER A 836 -12.381 -2.175 8.970 1.00 0.00 H new ATOM 0 HB2 SER A 836 -12.865 -0.299 7.271 1.00 0.00 H new ATOM 0 HB3 SER A 836 -12.462 0.194 8.903 1.00 0.00 H new ATOM 0 HG SER A 836 -11.242 1.357 7.309 1.00 0.00 H new ATOM 19 N ALA A 837 -10.331 -3.149 6.856 1.00 0.00 N ATOM 20 CA ALA A 837 -10.088 -3.963 5.682 1.00 0.00 C ATOM 21 C ALA A 837 -11.355 -4.721 5.309 1.00 0.00 C ATOM 22 O ALA A 837 -11.981 -4.424 4.294 1.00 0.00 O ATOM 23 CB ALA A 837 -8.943 -4.931 5.964 1.00 0.00 C ATOM 0 H ALA A 837 -9.540 -3.089 7.497 1.00 0.00 H new ATOM 0 HA ALA A 837 -9.809 -3.325 4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -8.759 -5.544 5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -8.042 -4.368 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -9.208 -5.574 6.803 1.00 0.00 H new ATOM 29 N ASP A 838 -11.731 -5.701 6.134 1.00 0.00 N ATOM 30 CA ASP A 838 -12.918 -6.494 5.886 1.00 0.00 C ATOM 31 C ASP A 838 -14.074 -5.584 5.498 1.00 0.00 C ATOM 32 O ASP A 838 -14.869 -5.925 4.625 1.00 0.00 O ATOM 33 CB ASP A 838 -13.259 -7.301 7.135 1.00 0.00 C ATOM 34 CG ASP A 838 -14.513 -8.137 6.917 1.00 0.00 C ATOM 35 OD1 ASP A 838 -15.171 -7.913 5.879 1.00 0.00 O ATOM 36 OD2 ASP A 838 -14.789 -8.985 7.793 1.00 0.00 O ATOM 0 H ASP A 838 -11.223 -5.958 6.980 1.00 0.00 H new ATOM 0 HA ASP A 838 -12.734 -7.185 5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -12.423 -7.952 7.391 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -13.409 -6.627 7.979 1.00 0.00 H new ATOM 41 N GLU A 839 -14.168 -4.423 6.150 1.00 0.00 N ATOM 42 CA GLU A 839 -15.226 -3.473 5.868 1.00 0.00 C ATOM 43 C GLU A 839 -14.918 -2.720 4.581 1.00 0.00 C ATOM 44 O GLU A 839 -15.828 -2.263 3.893 1.00 0.00 O ATOM 45 CB GLU A 839 -15.366 -2.506 7.040 1.00 0.00 C ATOM 46 CG GLU A 839 -16.697 -2.750 7.745 1.00 0.00 C ATOM 47 CD GLU A 839 -17.636 -1.568 7.555 1.00 0.00 C ATOM 48 OE1 GLU A 839 -17.265 -0.468 8.019 1.00 0.00 O ATOM 49 OE2 GLU A 839 -18.709 -1.786 6.951 1.00 0.00 O ATOM 0 H GLU A 839 -13.518 -4.125 6.878 1.00 0.00 H new ATOM 0 HA GLU A 839 -16.169 -4.004 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -14.541 -2.644 7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -15.314 -1.477 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -17.161 -3.655 7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -16.525 -2.916 8.808 1.00 0.00 H new ATOM 56 N THR A 840 -13.629 -2.591 4.256 1.00 0.00 N ATOM 57 CA THR A 840 -13.213 -1.897 3.055 1.00 0.00 C ATOM 58 C THR A 840 -13.376 -2.807 1.847 1.00 0.00 C ATOM 59 O THR A 840 -13.975 -2.416 0.847 1.00 0.00 O ATOM 60 CB THR A 840 -11.761 -1.451 3.204 1.00 0.00 C ATOM 61 OG1 THR A 840 -11.545 -0.987 4.518 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.470 -0.327 2.214 1.00 0.00 C ATOM 0 H THR A 840 -12.861 -2.962 4.815 1.00 0.00 H new ATOM 0 HA THR A 840 -13.838 -1.016 2.906 1.00 0.00 H new ATOM 0 HB THR A 840 -11.099 -2.293 3.002 1.00 0.00 H new ATOM 0 HG1 THR A 840 -10.612 -0.702 4.615 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.433 -0.008 2.320 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.638 -0.685 1.198 1.00 0.00 H new ATOM 0 HG23 THR A 840 -12.131 0.516 2.416 1.00 0.00 H new ATOM 70 N LEU A 841 -12.839 -4.026 1.940 1.00 0.00 N ATOM 71 CA LEU A 841 -12.927 -4.986 0.857 1.00 0.00 C ATOM 72 C LEU A 841 -14.379 -5.384 0.637 1.00 0.00 C ATOM 73 O LEU A 841 -14.683 -6.154 -0.272 1.00 0.00 O ATOM 74 CB LEU A 841 -12.076 -6.207 1.191 1.00 0.00 C ATOM 75 CG LEU A 841 -10.621 -5.929 0.826 1.00 0.00 C ATOM 76 CD1 LEU A 841 -10.339 -6.456 -0.578 1.00 0.00 C ATOM 77 CD2 LEU A 841 -10.366 -4.425 0.866 1.00 0.00 C ATOM 0 H LEU A 841 -12.338 -4.365 2.762 1.00 0.00 H new ATOM 0 HA LEU A 841 -12.551 -4.538 -0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -12.157 -6.441 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -12.439 -7.077 0.644 1.00 0.00 H new ATOM 0 HG LEU A 841 -9.965 -6.428 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -9.300 -6.258 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -10.522 -7.530 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -10.994 -5.957 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -9.327 -4.225 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -11.022 -3.926 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -10.567 -4.048 1.869 1.00 0.00 H new ATOM 89 N CYS A 842 -15.277 -4.856 1.472 1.00 0.00 N ATOM 90 CA CYS A 842 -16.691 -5.153 1.369 1.00 0.00 C ATOM 91 C CYS A 842 -17.170 -4.869 -0.048 1.00 0.00 C ATOM 92 O CYS A 842 -18.302 -5.196 -0.398 1.00 0.00 O ATOM 93 CB CYS A 842 -17.463 -4.312 2.381 1.00 0.00 C ATOM 94 SG CYS A 842 -19.180 -4.885 2.425 1.00 0.00 S ATOM 0 H CYS A 842 -15.038 -4.216 2.230 1.00 0.00 H new ATOM 0 HA CYS A 842 -16.865 -6.206 1.588 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -17.010 -4.400 3.369 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -17.424 -3.258 2.105 1.00 0.00 H new ATOM 0 HG CYS A 842 -19.529 -5.302 1.244 1.00 0.00 H new ATOM 100 N GLN A 843 -16.306 -4.258 -0.862 1.00 0.00 N ATOM 101 CA GLN A 843 -16.648 -3.934 -2.233 1.00 0.00 C ATOM 102 C GLN A 843 -15.745 -4.704 -3.186 1.00 0.00 C ATOM 103 O GLN A 843 -14.868 -4.121 -3.821 1.00 0.00 O ATOM 104 CB GLN A 843 -16.504 -2.430 -2.448 1.00 0.00 C ATOM 105 CG GLN A 843 -16.969 -1.689 -1.198 1.00 0.00 C ATOM 106 CD GLN A 843 -18.230 -0.886 -1.480 1.00 0.00 C ATOM 107 OE1 GLN A 843 -18.257 -0.071 -2.400 1.00 0.00 O ATOM 108 NE2 GLN A 843 -19.277 -1.116 -0.684 1.00 0.00 N ATOM 0 H GLN A 843 -15.364 -3.980 -0.587 1.00 0.00 H new ATOM 0 HA GLN A 843 -17.681 -4.220 -2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -15.465 -2.181 -2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -17.094 -2.117 -3.309 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -17.159 -2.403 -0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -16.179 -1.023 -0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -19.206 -1.803 0.067 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -20.148 -0.605 -0.827 1.00 0.00 H new ATOM 117 N THR A 844 -15.961 -6.017 -3.287 1.00 0.00 N ATOM 118 CA THR A 844 -15.166 -6.854 -4.163 1.00 0.00 C ATOM 119 C THR A 844 -13.722 -6.881 -3.685 1.00 0.00 C ATOM 120 O THR A 844 -13.261 -7.886 -3.147 1.00 0.00 O ATOM 121 CB THR A 844 -15.253 -6.322 -5.591 1.00 0.00 C ATOM 122 OG1 THR A 844 -15.730 -7.339 -6.443 1.00 0.00 O ATOM 123 CG2 THR A 844 -13.869 -5.878 -6.054 1.00 0.00 C ATOM 0 H THR A 844 -16.683 -6.517 -2.768 1.00 0.00 H new ATOM 0 HA THR A 844 -15.552 -7.873 -4.144 1.00 0.00 H new ATOM 0 HB THR A 844 -15.936 -5.473 -5.621 1.00 0.00 H new ATOM 0 HG1 THR A 844 -15.788 -6.997 -7.360 1.00 0.00 H new ATOM 0 HG21 THR A 844 -13.931 -5.498 -7.074 1.00 0.00 H new ATOM 0 HG22 THR A 844 -13.500 -5.092 -5.396 1.00 0.00 H new ATOM 0 HG23 THR A 844 -13.186 -6.727 -6.024 1.00 0.00 H new ATOM 131 N LYS A 845 -13.006 -5.772 -3.882 1.00 0.00 N ATOM 132 CA LYS A 845 -11.620 -5.674 -3.471 1.00 0.00 C ATOM 133 C LYS A 845 -11.253 -4.217 -3.225 1.00 0.00 C ATOM 134 O LYS A 845 -10.118 -3.912 -2.867 1.00 0.00 O ATOM 135 CB LYS A 845 -10.726 -6.281 -4.549 1.00 0.00 C ATOM 136 CG LYS A 845 -9.889 -7.403 -3.942 1.00 0.00 C ATOM 137 CD LYS A 845 -10.741 -8.662 -3.812 1.00 0.00 C ATOM 138 CE LYS A 845 -10.988 -8.960 -2.336 1.00 0.00 C ATOM 139 NZ LYS A 845 -11.172 -10.402 -2.112 1.00 0.00 N ATOM 0 H LYS A 845 -13.373 -4.930 -4.326 1.00 0.00 H new ATOM 0 HA LYS A 845 -11.474 -6.225 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -11.335 -6.668 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -10.076 -5.515 -4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -9.020 -7.603 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -9.514 -7.103 -2.964 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -11.690 -8.526 -4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -10.237 -9.505 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -10.147 -8.601 -1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -11.871 -8.420 -1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -11.338 -10.578 -1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -11.990 -10.737 -2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -10.318 -10.912 -2.416 1.00 0.00 H new ATOM 153 N VAL A 846 -12.220 -3.317 -3.418 1.00 0.00 N ATOM 154 CA VAL A 846 -11.997 -1.900 -3.218 1.00 0.00 C ATOM 155 C VAL A 846 -10.623 -1.515 -3.748 1.00 0.00 C ATOM 156 O VAL A 846 -9.612 -2.063 -3.314 1.00 0.00 O ATOM 157 CB VAL A 846 -12.114 -1.572 -1.732 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.569 -1.265 -1.391 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.641 -2.768 -0.909 1.00 0.00 C ATOM 0 H VAL A 846 -13.167 -3.555 -3.714 1.00 0.00 H new ATOM 0 HA VAL A 846 -12.749 -1.329 -3.763 1.00 0.00 H new ATOM 0 HB VAL A 846 -11.496 -0.704 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.652 -1.031 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -13.908 -0.412 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -14.187 -2.133 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.724 -2.535 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -12.259 -3.636 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -10.601 -2.988 -1.152 1.00 0.00 H new ATOM 169 N LEU A 847 -10.588 -0.570 -4.690 1.00 0.00 N ATOM 170 CA LEU A 847 -9.341 -0.117 -5.274 1.00 0.00 C ATOM 171 C LEU A 847 -9.480 1.328 -5.732 1.00 0.00 C ATOM 172 O LEU A 847 -9.417 1.612 -6.926 1.00 0.00 O ATOM 173 CB LEU A 847 -8.971 -1.022 -6.446 1.00 0.00 C ATOM 174 CG LEU A 847 -9.257 -2.474 -6.077 1.00 0.00 C ATOM 175 CD1 LEU A 847 -8.257 -2.938 -5.022 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.673 -2.588 -5.520 1.00 0.00 C ATOM 0 H LEU A 847 -11.418 -0.107 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 847 -8.547 -0.166 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.542 -0.741 -7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -7.917 -0.900 -6.695 1.00 0.00 H new ATOM 0 HG LEU A 847 -9.164 -3.099 -6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -8.461 -3.976 -4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -7.245 -2.857 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.349 -2.313 -4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.878 -3.626 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.766 -1.963 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -11.388 -2.257 -6.273 1.00 0.00 H new ATOM 188 N LEU A 848 -9.668 2.243 -4.778 1.00 0.00 N ATOM 189 CA LEU A 848 -9.814 3.651 -5.086 1.00 0.00 C ATOM 190 C LEU A 848 -8.478 4.222 -5.538 1.00 0.00 C ATOM 191 O LEU A 848 -7.508 3.485 -5.700 1.00 0.00 O ATOM 192 CB LEU A 848 -10.328 4.390 -3.854 1.00 0.00 C ATOM 193 CG LEU A 848 -11.843 4.546 -3.950 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.408 4.890 -2.574 1.00 0.00 C ATOM 195 CD2 LEU A 848 -12.179 5.664 -4.932 1.00 0.00 C ATOM 0 H LEU A 848 -9.722 2.023 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.533 3.777 -5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.065 3.840 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -9.855 5.369 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 848 -12.282 3.612 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.490 5.001 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.169 4.091 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -11.969 5.824 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -13.261 5.775 -5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -11.739 6.599 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -11.777 5.418 -5.915 1.00 0.00 H new ATOM 207 N ASP A 849 -8.429 5.540 -5.743 1.00 0.00 N ATOM 208 CA ASP A 849 -7.214 6.202 -6.176 1.00 0.00 C ATOM 209 C ASP A 849 -6.450 6.718 -4.965 1.00 0.00 C ATOM 210 O ASP A 849 -6.165 7.910 -4.871 1.00 0.00 O ATOM 211 CB ASP A 849 -7.568 7.346 -7.121 1.00 0.00 C ATOM 212 CG ASP A 849 -8.261 6.824 -8.372 1.00 0.00 C ATOM 213 OD1 ASP A 849 -9.057 5.872 -8.224 1.00 0.00 O ATOM 214 OD2 ASP A 849 -7.981 7.387 -9.452 1.00 0.00 O ATOM 0 H ASP A 849 -9.225 6.165 -5.613 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.578 5.494 -6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -8.218 8.057 -6.610 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -6.663 7.885 -7.400 1.00 0.00 H new ATOM 219 N ILE A 850 -6.118 5.817 -4.038 1.00 0.00 N ATOM 220 CA ILE A 850 -5.389 6.183 -2.840 1.00 0.00 C ATOM 221 C ILE A 850 -3.897 6.232 -3.140 1.00 0.00 C ATOM 222 O ILE A 850 -3.382 7.263 -3.567 1.00 0.00 O ATOM 223 CB ILE A 850 -5.686 5.173 -1.735 1.00 0.00 C ATOM 224 CG1 ILE A 850 -6.510 4.022 -2.306 1.00 0.00 C ATOM 225 CG2 ILE A 850 -6.472 5.857 -0.620 1.00 0.00 C ATOM 226 CD1 ILE A 850 -7.947 4.486 -2.528 1.00 0.00 C ATOM 0 H ILE A 850 -6.348 4.825 -4.103 1.00 0.00 H new ATOM 0 HA ILE A 850 -5.705 7.171 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 850 -4.749 4.785 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -6.077 3.682 -3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -6.492 3.173 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -6.685 5.137 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -5.884 6.680 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.409 6.244 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -8.536 3.664 -2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.377 4.804 -1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -7.956 5.321 -3.228 1.00 0.00 H new ATOM 238 N PHE A 851 -3.204 5.114 -2.916 1.00 0.00 N ATOM 239 CA PHE A 851 -1.778 5.037 -3.164 1.00 0.00 C ATOM 240 C PHE A 851 -1.471 5.537 -4.569 1.00 0.00 C ATOM 241 O PHE A 851 -0.380 5.307 -5.087 1.00 0.00 O ATOM 242 CB PHE A 851 -1.308 3.596 -2.987 1.00 0.00 C ATOM 243 CG PHE A 851 -1.972 2.884 -1.833 1.00 0.00 C ATOM 244 CD1 PHE A 851 -2.000 3.478 -0.566 1.00 0.00 C ATOM 245 CD2 PHE A 851 -2.561 1.629 -2.030 1.00 0.00 C ATOM 246 CE1 PHE A 851 -2.617 2.818 0.504 1.00 0.00 C ATOM 247 CE2 PHE A 851 -3.178 0.969 -0.961 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.206 1.564 0.306 1.00 0.00 C ATOM 0 H PHE A 851 -3.616 4.251 -2.562 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.246 5.668 -2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.503 3.043 -3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.229 3.590 -2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -1.546 4.446 -0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -2.539 1.170 -3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -2.638 3.277 1.482 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -3.632 0.001 -1.113 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.682 1.055 1.131 1.00 0.00 H new ATOM 258 N THR A 852 -2.436 6.222 -5.186 1.00 0.00 N ATOM 259 CA THR A 852 -2.260 6.748 -6.525 1.00 0.00 C ATOM 260 C THR A 852 -0.829 7.235 -6.706 1.00 0.00 C ATOM 261 O THR A 852 -0.450 8.273 -6.167 1.00 0.00 O ATOM 262 CB THR A 852 -3.251 7.884 -6.758 1.00 0.00 C ATOM 263 OG1 THR A 852 -3.751 7.808 -8.075 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.547 9.223 -6.558 1.00 0.00 C ATOM 0 H THR A 852 -3.346 6.421 -4.772 1.00 0.00 H new ATOM 0 HA THR A 852 -2.449 5.962 -7.256 1.00 0.00 H new ATOM 0 HB THR A 852 -4.075 7.798 -6.050 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.389 8.536 -8.225 1.00 0.00 H new ATOM 0 HG21 THR A 852 -3.255 10.035 -6.725 1.00 0.00 H new ATOM 0 HG22 THR A 852 -2.160 9.282 -5.541 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.723 9.310 -7.266 1.00 0.00 H new ATOM 272 N GLY A 853 -0.033 6.483 -7.469 1.00 0.00 N ATOM 273 CA GLY A 853 1.349 6.844 -7.715 1.00 0.00 C ATOM 274 C GLY A 853 2.200 6.541 -6.490 1.00 0.00 C ATOM 275 O GLY A 853 3.391 6.844 -6.467 1.00 0.00 O ATOM 0 H GLY A 853 -0.330 5.620 -7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.728 6.293 -8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 853 1.417 7.904 -7.960 1.00 0.00 H new ATOM 279 N VAL A 854 1.584 5.941 -5.468 1.00 0.00 N ATOM 280 CA VAL A 854 2.284 5.600 -4.247 1.00 0.00 C ATOM 281 C VAL A 854 2.932 4.230 -4.389 1.00 0.00 C ATOM 282 O VAL A 854 2.243 3.212 -4.378 1.00 0.00 O ATOM 283 CB VAL A 854 1.304 5.616 -3.078 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.931 4.912 -1.878 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.978 7.060 -2.707 1.00 0.00 C ATOM 0 H VAL A 854 0.597 5.684 -5.472 1.00 0.00 H new ATOM 0 HA VAL A 854 3.068 6.333 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 854 0.388 5.099 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 854 1.231 4.923 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 854 2.164 3.880 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.847 5.429 -1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 854 0.278 7.072 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.893 7.578 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.530 7.563 -3.564 1.00 0.00 H new ATOM 295 N ARG A 855 4.260 4.206 -4.524 1.00 0.00 N ATOM 296 CA ARG A 855 4.992 2.964 -4.668 1.00 0.00 C ATOM 297 C ARG A 855 5.545 2.531 -3.318 1.00 0.00 C ATOM 298 O ARG A 855 6.693 2.824 -2.992 1.00 0.00 O ATOM 299 CB ARG A 855 6.120 3.155 -5.678 1.00 0.00 C ATOM 300 CG ARG A 855 7.321 3.793 -4.985 1.00 0.00 C ATOM 301 CD ARG A 855 8.235 4.426 -6.030 1.00 0.00 C ATOM 302 NE ARG A 855 7.472 5.256 -6.962 1.00 0.00 N ATOM 303 CZ ARG A 855 7.484 6.595 -6.918 1.00 0.00 C ATOM 304 NH1 ARG A 855 8.217 7.229 -5.994 1.00 0.00 N ATOM 305 NH2 ARG A 855 6.762 7.301 -7.800 1.00 0.00 N ATOM 0 H ARG A 855 4.845 5.042 -4.536 1.00 0.00 H new ATOM 0 HA ARG A 855 4.324 2.183 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 855 6.403 2.195 -6.109 1.00 0.00 H new ATOM 0 HB3 ARG A 855 5.783 3.786 -6.500 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.985 4.549 -4.275 1.00 0.00 H new ATOM 0 HG3 ARG A 855 7.868 3.041 -4.416 1.00 0.00 H new ATOM 0 HD2 ARG A 855 8.994 5.032 -5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 855 8.760 3.645 -6.580 1.00 0.00 H new ATOM 0 HE ARG A 855 6.907 4.796 -7.676 1.00 0.00 H new ATOM 0 HH12 ARG A 855 8.226 8.248 -5.961 1.00 0.00 H new ATOM 0 HH21 ARG A 855 6.204 6.819 -8.504 1.00 0.00 H new ATOM 0 HH22 ARG A 855 6.771 8.320 -7.767 1.00 0.00 H new ATOM 319 N LEU A 856 4.724 1.831 -2.531 1.00 0.00 N ATOM 320 CA LEU A 856 5.133 1.362 -1.223 1.00 0.00 C ATOM 321 C LEU A 856 5.526 -0.107 -1.301 1.00 0.00 C ATOM 322 O LEU A 856 4.878 -0.890 -1.992 1.00 0.00 O ATOM 323 CB LEU A 856 3.992 1.564 -0.230 1.00 0.00 C ATOM 324 CG LEU A 856 3.240 0.249 -0.045 1.00 0.00 C ATOM 325 CD1 LEU A 856 4.231 -0.859 0.301 1.00 0.00 C ATOM 326 CD2 LEU A 856 2.227 0.397 1.086 1.00 0.00 C ATOM 0 H LEU A 856 3.769 1.580 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 856 5.998 1.932 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 856 4.385 1.908 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 856 3.313 2.336 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 856 2.719 -0.005 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 856 3.695 -1.799 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 856 4.955 -0.965 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 856 4.752 -0.606 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 856 1.690 -0.542 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 856 2.747 0.651 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 856 1.519 1.188 0.839 1.00 0.00 H new ATOM 338 N TYR A 857 6.592 -0.480 -0.589 1.00 0.00 N ATOM 339 CA TYR A 857 7.064 -1.850 -0.583 1.00 0.00 C ATOM 340 C TYR A 857 6.216 -2.685 0.365 1.00 0.00 C ATOM 341 O TYR A 857 6.399 -2.627 1.579 1.00 0.00 O ATOM 342 CB TYR A 857 8.531 -1.879 -0.164 1.00 0.00 C ATOM 343 CG TYR A 857 8.861 -2.993 0.799 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.499 -4.311 0.496 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.530 -2.709 1.996 1.00 0.00 C ATOM 346 CE1 TYR A 857 8.805 -5.345 1.389 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.836 -3.743 2.889 1.00 0.00 C ATOM 348 CZ TYR A 857 9.474 -5.061 2.586 1.00 0.00 C ATOM 349 OH TYR A 857 9.772 -6.068 3.456 1.00 0.00 O ATOM 0 H TYR A 857 7.140 0.156 -0.010 1.00 0.00 H new ATOM 0 HA TYR A 857 6.976 -2.273 -1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.153 -1.983 -1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.788 -0.925 0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 857 7.983 -4.530 -0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.810 -1.693 2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.525 -6.361 1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.352 -3.524 3.812 1.00 0.00 H new ATOM 0 HH TYR A 857 10.237 -5.700 4.236 1.00 0.00 H new ATOM 359 N LEU A 858 5.285 -3.463 -0.192 1.00 0.00 N ATOM 360 CA LEU A 858 4.414 -4.304 0.605 1.00 0.00 C ATOM 361 C LEU A 858 5.134 -5.596 0.966 1.00 0.00 C ATOM 362 O LEU A 858 5.406 -6.421 0.097 1.00 0.00 O ATOM 363 CB LEU A 858 3.137 -4.597 -0.176 1.00 0.00 C ATOM 364 CG LEU A 858 2.162 -5.364 0.713 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.564 -5.193 2.175 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.750 -4.821 0.506 1.00 0.00 C ATOM 0 H LEU A 858 5.121 -3.522 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 858 4.149 -3.789 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.683 -3.666 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.369 -5.180 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 858 2.186 -6.422 0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 858 1.868 -5.741 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.572 -5.581 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.540 -4.135 2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.053 -5.368 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.725 -3.763 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.463 -4.943 -0.538 1.00 0.00 H new ATOM 378 N PRO A 859 5.441 -5.769 2.254 1.00 0.00 N ATOM 379 CA PRO A 859 6.121 -6.933 2.781 1.00 0.00 C ATOM 380 C PRO A 859 5.174 -8.125 2.773 1.00 0.00 C ATOM 381 O PRO A 859 3.969 -7.964 2.955 1.00 0.00 O ATOM 382 CB PRO A 859 6.505 -6.549 4.208 1.00 0.00 C ATOM 383 CG PRO A 859 5.400 -5.571 4.604 1.00 0.00 C ATOM 384 CD PRO A 859 5.135 -4.820 3.302 1.00 0.00 C ATOM 0 HA PRO A 859 6.994 -7.216 2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.532 -7.417 4.867 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.490 -6.085 4.251 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.510 -6.089 4.961 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.720 -4.900 5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.099 -4.487 3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.761 -3.931 3.225 1.00 0.00 H new ATOM 392 N PRO A 860 5.722 -9.323 2.559 1.00 0.00 N ATOM 393 CA PRO A 860 4.980 -10.564 2.517 1.00 0.00 C ATOM 394 C PRO A 860 4.534 -10.940 3.923 1.00 0.00 C ATOM 395 O PRO A 860 3.594 -11.714 4.092 1.00 0.00 O ATOM 396 CB PRO A 860 5.964 -11.591 1.961 1.00 0.00 C ATOM 397 CG PRO A 860 7.314 -11.061 2.443 1.00 0.00 C ATOM 398 CD PRO A 860 7.135 -9.548 2.341 1.00 0.00 C ATOM 0 HA PRO A 860 4.081 -10.500 1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 860 5.763 -12.592 2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 860 5.917 -11.649 0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 860 7.532 -11.375 3.464 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.134 -11.415 1.819 1.00 0.00 H new ATOM 0 HD2 PRO A 860 7.737 -9.028 3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.448 -9.178 1.364 1.00 0.00 H new ATOM 406 N SER A 861 5.213 -10.392 4.933 1.00 0.00 N ATOM 407 CA SER A 861 4.884 -10.673 6.316 1.00 0.00 C ATOM 408 C SER A 861 3.720 -9.798 6.758 1.00 0.00 C ATOM 409 O SER A 861 3.082 -10.075 7.771 1.00 0.00 O ATOM 410 CB SER A 861 6.110 -10.424 7.190 1.00 0.00 C ATOM 411 OG SER A 861 6.517 -11.637 7.784 1.00 0.00 O ATOM 0 H SER A 861 5.996 -9.750 4.809 1.00 0.00 H new ATOM 0 HA SER A 861 4.587 -11.717 6.418 1.00 0.00 H new ATOM 0 HB2 SER A 861 6.920 -10.011 6.589 1.00 0.00 H new ATOM 0 HB3 SER A 861 5.878 -9.689 7.961 1.00 0.00 H new ATOM 0 HG SER A 861 7.305 -11.479 8.344 1.00 0.00 H new ATOM 417 N THR A 862 3.443 -8.738 5.995 1.00 0.00 N ATOM 418 CA THR A 862 2.357 -7.833 6.313 1.00 0.00 C ATOM 419 C THR A 862 1.032 -8.581 6.281 1.00 0.00 C ATOM 420 O THR A 862 0.834 -9.463 5.448 1.00 0.00 O ATOM 421 CB THR A 862 2.350 -6.678 5.316 1.00 0.00 C ATOM 422 OG1 THR A 862 2.769 -5.497 5.963 1.00 0.00 O ATOM 423 CG2 THR A 862 0.938 -6.486 4.771 1.00 0.00 C ATOM 0 H THR A 862 3.962 -8.492 5.152 1.00 0.00 H new ATOM 0 HA THR A 862 2.498 -7.430 7.316 1.00 0.00 H new ATOM 0 HB THR A 862 3.029 -6.903 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 862 1.990 -5.034 6.336 1.00 0.00 H new ATOM 0 HG21 THR A 862 0.932 -5.661 4.059 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.613 -7.399 4.272 1.00 0.00 H new ATOM 0 HG23 THR A 862 0.258 -6.261 5.593 1.00 0.00 H new ATOM 431 N PRO A 863 0.124 -8.227 7.193 1.00 0.00 N ATOM 432 CA PRO A 863 -1.189 -8.825 7.312 1.00 0.00 C ATOM 433 C PRO A 863 -2.066 -8.365 6.156 1.00 0.00 C ATOM 434 O PRO A 863 -2.011 -7.204 5.756 1.00 0.00 O ATOM 435 CB PRO A 863 -1.731 -8.317 8.646 1.00 0.00 C ATOM 436 CG PRO A 863 -1.059 -6.951 8.786 1.00 0.00 C ATOM 437 CD PRO A 863 0.324 -7.195 8.187 1.00 0.00 C ATOM 0 HA PRO A 863 -1.164 -9.914 7.279 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -2.818 -8.234 8.636 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.470 -8.983 9.469 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -1.603 -6.175 8.247 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -0.999 -6.634 9.827 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.726 -6.287 7.738 1.00 0.00 H new ATOM 0 HD3 PRO A 863 1.034 -7.514 8.950 1.00 0.00 H new ATOM 445 N ASP A 864 -2.875 -9.280 5.618 1.00 0.00 N ATOM 446 CA ASP A 864 -3.756 -8.966 4.511 1.00 0.00 C ATOM 447 C ASP A 864 -2.936 -8.735 3.250 1.00 0.00 C ATOM 448 O ASP A 864 -3.407 -8.102 2.308 1.00 0.00 O ATOM 449 CB ASP A 864 -4.580 -7.728 4.854 1.00 0.00 C ATOM 450 CG ASP A 864 -6.051 -8.082 5.018 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.410 -8.513 6.135 1.00 0.00 O ATOM 452 OD2 ASP A 864 -6.789 -7.916 4.023 1.00 0.00 O ATOM 0 H ASP A 864 -2.932 -10.247 5.939 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.434 -9.800 4.332 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -4.205 -7.280 5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -4.467 -6.982 4.067 1.00 0.00 H new ATOM 457 N PHE A 865 -1.704 -9.252 3.233 1.00 0.00 N ATOM 458 CA PHE A 865 -0.829 -9.098 2.089 1.00 0.00 C ATOM 459 C PHE A 865 -1.559 -9.517 0.820 1.00 0.00 C ATOM 460 O PHE A 865 -1.522 -8.807 -0.182 1.00 0.00 O ATOM 461 CB PHE A 865 0.426 -9.942 2.294 1.00 0.00 C ATOM 462 CG PHE A 865 1.535 -9.619 1.321 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.124 -8.348 1.328 1.00 0.00 C ATOM 464 CD2 PHE A 865 1.972 -10.588 0.410 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.150 -8.048 0.425 1.00 0.00 C ATOM 466 CE2 PHE A 865 2.999 -10.287 -0.493 1.00 0.00 C ATOM 467 CZ PHE A 865 3.588 -9.017 -0.486 1.00 0.00 C ATOM 0 H PHE A 865 -1.298 -9.780 4.005 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.537 -8.053 1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 865 0.791 -9.795 3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.165 -10.996 2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 865 1.786 -7.600 2.030 1.00 0.00 H new ATOM 0 HD2 PHE A 865 1.517 -11.568 0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.604 -7.068 0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 865 3.337 -11.035 -1.195 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.380 -8.785 -1.183 1.00 0.00 H new ATOM 477 N SER A 866 -2.225 -10.673 0.866 1.00 0.00 N ATOM 478 CA SER A 866 -2.959 -11.177 -0.277 1.00 0.00 C ATOM 479 C SER A 866 -3.388 -10.019 -1.167 1.00 0.00 C ATOM 480 O SER A 866 -2.757 -9.751 -2.187 1.00 0.00 O ATOM 481 CB SER A 866 -4.173 -11.965 0.207 1.00 0.00 C ATOM 482 OG SER A 866 -4.956 -12.348 -0.901 1.00 0.00 O ATOM 0 H SER A 866 -2.266 -11.273 1.690 1.00 0.00 H new ATOM 0 HA SER A 866 -2.320 -11.840 -0.861 1.00 0.00 H new ATOM 0 HB2 SER A 866 -3.851 -12.847 0.760 1.00 0.00 H new ATOM 0 HB3 SER A 866 -4.765 -11.358 0.892 1.00 0.00 H new ATOM 0 HG SER A 866 -5.735 -12.856 -0.591 1.00 0.00 H new ATOM 488 N ARG A 867 -4.464 -9.331 -0.778 1.00 0.00 N ATOM 489 CA ARG A 867 -4.971 -8.208 -1.540 1.00 0.00 C ATOM 490 C ARG A 867 -4.011 -7.032 -1.425 1.00 0.00 C ATOM 491 O ARG A 867 -3.760 -6.336 -2.406 1.00 0.00 O ATOM 492 CB ARG A 867 -6.355 -7.828 -1.023 1.00 0.00 C ATOM 493 CG ARG A 867 -7.202 -9.087 -0.862 1.00 0.00 C ATOM 494 CD ARG A 867 -7.837 -9.099 0.525 1.00 0.00 C ATOM 495 NE ARG A 867 -7.802 -10.441 1.107 1.00 0.00 N ATOM 496 CZ ARG A 867 -8.331 -10.727 2.305 1.00 0.00 C ATOM 497 NH1 ARG A 867 -8.924 -9.763 3.023 1.00 0.00 N ATOM 498 NH2 ARG A 867 -8.266 -11.976 2.786 1.00 0.00 N ATOM 0 H ARG A 867 -4.997 -9.540 0.066 1.00 0.00 H new ATOM 0 HA ARG A 867 -5.053 -8.483 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -6.268 -7.311 -0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.837 -7.139 -1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -7.976 -9.118 -1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -6.584 -9.974 -0.998 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -7.309 -8.403 1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.869 -8.754 0.459 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.356 -11.191 0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -8.973 -8.812 2.658 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -9.327 -9.981 3.935 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -7.814 -12.710 2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -8.669 -12.193 3.698 1.00 0.00 H new ATOM 512 N LEU A 868 -3.474 -6.812 -0.222 1.00 0.00 N ATOM 513 CA LEU A 868 -2.546 -5.725 0.014 1.00 0.00 C ATOM 514 C LEU A 868 -1.703 -5.485 -1.231 1.00 0.00 C ATOM 515 O LEU A 868 -1.594 -4.355 -1.701 1.00 0.00 O ATOM 516 CB LEU A 868 -1.660 -6.063 1.210 1.00 0.00 C ATOM 517 CG LEU A 868 -2.237 -5.420 2.467 1.00 0.00 C ATOM 518 CD1 LEU A 868 -1.105 -4.822 3.298 1.00 0.00 C ATOM 519 CD2 LEU A 868 -3.215 -4.318 2.072 1.00 0.00 C ATOM 0 H LEU A 868 -3.673 -7.380 0.601 1.00 0.00 H new ATOM 0 HA LEU A 868 -3.099 -4.812 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -1.598 -7.144 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.645 -5.704 1.038 1.00 0.00 H new ATOM 0 HG LEU A 868 -2.759 -6.175 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -1.517 -4.362 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -0.406 -5.609 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -0.582 -4.067 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.627 -3.858 2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -2.694 -3.562 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -4.024 -4.745 1.479 1.00 0.00 H new ATOM 531 N ARG A 869 -1.106 -6.554 -1.764 1.00 0.00 N ATOM 532 CA ARG A 869 -0.277 -6.456 -2.948 1.00 0.00 C ATOM 533 C ARG A 869 -1.124 -6.022 -4.136 1.00 0.00 C ATOM 534 O ARG A 869 -1.209 -4.834 -4.439 1.00 0.00 O ATOM 535 CB ARG A 869 0.383 -7.805 -3.219 1.00 0.00 C ATOM 536 CG ARG A 869 1.465 -7.637 -4.281 1.00 0.00 C ATOM 537 CD ARG A 869 2.837 -7.860 -3.650 1.00 0.00 C ATOM 538 NE ARG A 869 3.067 -9.280 -3.383 1.00 0.00 N ATOM 539 CZ ARG A 869 4.293 -9.816 -3.311 1.00 0.00 C ATOM 540 NH1 ARG A 869 5.373 -9.042 -3.486 1.00 0.00 N ATOM 541 NH2 ARG A 869 4.440 -11.125 -3.065 1.00 0.00 N ATOM 0 H ARG A 869 -1.188 -7.498 -1.386 1.00 0.00 H new ATOM 0 HA ARG A 869 0.502 -5.710 -2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 869 0.818 -8.200 -2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 869 -0.362 -8.526 -3.555 1.00 0.00 H new ATOM 0 HG2 ARG A 869 1.306 -8.347 -5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 869 1.411 -6.639 -4.716 1.00 0.00 H new ATOM 0 HD2 ARG A 869 3.613 -7.481 -4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 869 2.910 -7.295 -2.721 1.00 0.00 H new ATOM 0 HE ARG A 869 2.260 -9.888 -3.246 1.00 0.00 H new ATOM 0 HH11 ARG A 869 5.261 -8.046 -3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 869 6.307 -9.449 -3.431 1.00 0.00 H new ATOM 0 HH21 ARG A 869 3.618 -11.714 -2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 869 5.374 -11.532 -3.010 1.00 0.00 H new ATOM 555 N ARG A 870 -1.752 -6.989 -4.808 1.00 0.00 N ATOM 556 CA ARG A 870 -2.587 -6.703 -5.957 1.00 0.00 C ATOM 557 C ARG A 870 -3.376 -5.424 -5.717 1.00 0.00 C ATOM 558 O ARG A 870 -3.296 -4.485 -6.506 1.00 0.00 O ATOM 559 CB ARG A 870 -3.528 -7.878 -6.206 1.00 0.00 C ATOM 560 CG ARG A 870 -4.116 -7.771 -7.610 1.00 0.00 C ATOM 561 CD ARG A 870 -5.272 -8.756 -7.754 1.00 0.00 C ATOM 562 NE ARG A 870 -6.424 -8.124 -8.397 1.00 0.00 N ATOM 563 CZ ARG A 870 -6.540 -8.007 -9.727 1.00 0.00 C ATOM 564 NH1 ARG A 870 -5.577 -8.483 -10.528 1.00 0.00 N ATOM 565 NH2 ARG A 870 -7.620 -7.416 -10.257 1.00 0.00 N ATOM 0 H ARG A 870 -1.692 -7.979 -4.568 1.00 0.00 H new ATOM 0 HA ARG A 870 -1.962 -6.561 -6.838 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -2.989 -8.819 -6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -4.327 -7.881 -5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -4.465 -6.755 -7.793 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -3.349 -7.983 -8.354 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -4.950 -9.616 -8.341 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -5.560 -9.130 -6.772 1.00 0.00 H new ATOM 0 HE ARG A 870 -7.171 -7.757 -7.808 1.00 0.00 H new ATOM 0 HH11 ARG A 870 -4.756 -8.934 -10.125 1.00 0.00 H new ATOM 0 HH12 ARG A 870 -5.665 -8.394 -11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -8.354 -7.055 -9.648 1.00 0.00 H new ATOM 0 HH22 ARG A 870 -7.708 -7.327 -11.269 1.00 0.00 H new ATOM 579 N TYR A 871 -4.138 -5.387 -4.622 1.00 0.00 N ATOM 580 CA TYR A 871 -4.936 -4.225 -4.286 1.00 0.00 C ATOM 581 C TYR A 871 -4.141 -2.956 -4.560 1.00 0.00 C ATOM 582 O TYR A 871 -4.514 -2.161 -5.420 1.00 0.00 O ATOM 583 CB TYR A 871 -5.347 -4.298 -2.818 1.00 0.00 C ATOM 584 CG TYR A 871 -6.402 -3.288 -2.436 1.00 0.00 C ATOM 585 CD1 TYR A 871 -7.553 -3.147 -3.221 1.00 0.00 C ATOM 586 CD2 TYR A 871 -6.229 -2.492 -1.297 1.00 0.00 C ATOM 587 CE1 TYR A 871 -8.531 -2.211 -2.866 1.00 0.00 C ATOM 588 CE2 TYR A 871 -7.208 -1.556 -0.943 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.359 -1.415 -1.727 1.00 0.00 C ATOM 590 OH TYR A 871 -9.312 -0.503 -1.382 1.00 0.00 O ATOM 0 H TYR A 871 -4.214 -6.156 -3.956 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.835 -4.207 -4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.720 -5.299 -2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.466 -4.145 -2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -7.686 -3.760 -4.100 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -5.341 -2.600 -0.692 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -9.419 -2.103 -3.471 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -7.075 -0.942 -0.064 1.00 0.00 H new ATOM 600 N PHE A 872 -3.041 -2.767 -3.827 1.00 0.00 N ATOM 601 CA PHE A 872 -2.202 -1.598 -3.997 1.00 0.00 C ATOM 602 C PHE A 872 -1.904 -1.387 -5.474 1.00 0.00 C ATOM 603 O PHE A 872 -2.681 -0.748 -6.181 1.00 0.00 O ATOM 604 CB PHE A 872 -0.911 -1.782 -3.205 1.00 0.00 C ATOM 605 CG PHE A 872 -0.158 -0.493 -2.973 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.569 0.090 -4.018 1.00 0.00 C ATOM 607 CD2 PHE A 872 -0.184 0.117 -1.714 1.00 0.00 C ATOM 608 CE1 PHE A 872 1.269 1.283 -3.804 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.516 1.310 -1.499 1.00 0.00 C ATOM 610 CZ PHE A 872 1.243 1.893 -2.544 1.00 0.00 C ATOM 0 H PHE A 872 -2.717 -3.416 -3.110 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.720 -0.715 -3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -1.146 -2.235 -2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -0.265 -2.481 -3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.590 -0.381 -4.990 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.744 -0.333 -0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.829 1.733 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 872 0.495 1.781 -0.527 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.784 2.813 -2.378 1.00 0.00 H new ATOM 620 N VAL A 873 -0.775 -1.925 -5.940 1.00 0.00 N ATOM 621 CA VAL A 873 -0.380 -1.793 -7.328 1.00 0.00 C ATOM 622 C VAL A 873 -1.618 -1.723 -8.211 1.00 0.00 C ATOM 623 O VAL A 873 -1.627 -1.015 -9.215 1.00 0.00 O ATOM 624 CB VAL A 873 0.499 -2.977 -7.721 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.281 -4.122 -6.735 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.129 -3.440 -9.127 1.00 0.00 C ATOM 0 H VAL A 873 -0.121 -2.457 -5.366 1.00 0.00 H new ATOM 0 HA VAL A 873 0.191 -0.874 -7.463 1.00 0.00 H new ATOM 0 HB VAL A 873 1.546 -2.675 -7.701 1.00 0.00 H new ATOM 0 HG11 VAL A 873 0.909 -4.968 -7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.544 -3.792 -5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.766 -4.425 -6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 873 0.756 -4.286 -9.408 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.918 -3.743 -9.147 1.00 0.00 H new ATOM 0 HG23 VAL A 873 0.284 -2.623 -9.832 1.00 0.00 H new ATOM 636 N ALA A 874 -2.665 -2.461 -7.833 1.00 0.00 N ATOM 637 CA ALA A 874 -3.900 -2.480 -8.591 1.00 0.00 C ATOM 638 C ALA A 874 -4.449 -1.067 -8.716 1.00 0.00 C ATOM 639 O ALA A 874 -4.747 -0.609 -9.817 1.00 0.00 O ATOM 640 CB ALA A 874 -4.907 -3.393 -7.897 1.00 0.00 C ATOM 0 H ALA A 874 -2.673 -3.052 -7.002 1.00 0.00 H new ATOM 0 HA ALA A 874 -3.711 -2.865 -9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.837 -3.408 -8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -4.501 -4.403 -7.837 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -5.103 -3.021 -6.892 1.00 0.00 H new ATOM 646 N PHE A 875 -4.584 -0.374 -7.582 1.00 0.00 N ATOM 647 CA PHE A 875 -5.097 0.982 -7.573 1.00 0.00 C ATOM 648 C PHE A 875 -4.487 1.772 -8.722 1.00 0.00 C ATOM 649 O PHE A 875 -5.194 2.481 -9.435 1.00 0.00 O ATOM 650 CB PHE A 875 -4.774 1.637 -6.234 1.00 0.00 C ATOM 651 CG PHE A 875 -5.294 0.866 -5.044 1.00 0.00 C ATOM 652 CD1 PHE A 875 -5.983 -0.337 -5.237 1.00 0.00 C ATOM 653 CD2 PHE A 875 -5.085 1.353 -3.749 1.00 0.00 C ATOM 654 CE1 PHE A 875 -6.464 -1.053 -4.134 1.00 0.00 C ATOM 655 CE2 PHE A 875 -5.565 0.638 -2.646 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.255 -0.565 -2.838 1.00 0.00 C ATOM 0 H PHE A 875 -4.342 -0.738 -6.661 1.00 0.00 H new ATOM 0 HA PHE A 875 -6.179 0.967 -7.704 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.693 1.745 -6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -5.197 2.642 -6.219 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -6.144 -0.713 -6.237 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -4.553 2.281 -3.601 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -6.996 -1.981 -4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -5.403 1.014 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.626 -1.117 -1.987 1.00 0.00 H new ATOM 666 N ASP A 876 -3.169 1.649 -8.901 1.00 0.00 N ATOM 667 CA ASP A 876 -2.473 2.352 -9.960 1.00 0.00 C ATOM 668 C ASP A 876 -1.067 2.712 -9.500 1.00 0.00 C ATOM 669 O ASP A 876 -0.337 3.398 -10.212 1.00 0.00 O ATOM 670 CB ASP A 876 -3.257 3.605 -10.339 1.00 0.00 C ATOM 671 CG ASP A 876 -4.121 3.355 -11.566 1.00 0.00 C ATOM 672 OD1 ASP A 876 -3.673 2.565 -12.425 1.00 0.00 O ATOM 673 OD2 ASP A 876 -5.214 3.959 -11.623 1.00 0.00 O ATOM 0 H ASP A 876 -2.569 1.065 -8.319 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.394 1.711 -10.838 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.886 3.912 -9.503 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.566 4.425 -10.537 1.00 0.00 H new ATOM 678 N GLY A 877 -0.688 2.248 -8.307 1.00 0.00 N ATOM 679 CA GLY A 877 0.626 2.527 -7.765 1.00 0.00 C ATOM 680 C GLY A 877 1.624 1.478 -8.235 1.00 0.00 C ATOM 681 O GLY A 877 1.574 1.039 -9.382 1.00 0.00 O ATOM 0 H GLY A 877 -1.280 1.677 -7.704 1.00 0.00 H new ATOM 0 HA2 GLY A 877 0.954 3.518 -8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.583 2.536 -6.676 1.00 0.00 H new ATOM 685 N ASP A 878 2.534 1.076 -7.345 1.00 0.00 N ATOM 686 CA ASP A 878 3.538 0.084 -7.672 1.00 0.00 C ATOM 687 C ASP A 878 4.070 -0.551 -6.395 1.00 0.00 C ATOM 688 O ASP A 878 3.929 0.015 -5.314 1.00 0.00 O ATOM 689 CB ASP A 878 4.667 0.744 -8.459 1.00 0.00 C ATOM 690 CG ASP A 878 4.517 0.480 -9.950 1.00 0.00 C ATOM 691 OD1 ASP A 878 3.919 -0.566 -10.284 1.00 0.00 O ATOM 692 OD2 ASP A 878 5.003 1.329 -10.729 1.00 0.00 O ATOM 0 H ASP A 878 2.589 1.430 -6.390 1.00 0.00 H new ATOM 0 HA ASP A 878 3.095 -0.699 -8.287 1.00 0.00 H new ATOM 0 HB2 ASP A 878 4.665 1.818 -8.274 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.628 0.363 -8.113 1.00 0.00 H new ATOM 697 N LEU A 879 4.682 -1.731 -6.523 1.00 0.00 N ATOM 698 CA LEU A 879 5.231 -2.435 -5.381 1.00 0.00 C ATOM 699 C LEU A 879 6.625 -2.947 -5.712 1.00 0.00 C ATOM 700 O LEU A 879 6.833 -3.559 -6.757 1.00 0.00 O ATOM 701 CB LEU A 879 4.306 -3.590 -5.005 1.00 0.00 C ATOM 702 CG LEU A 879 3.425 -3.173 -3.831 1.00 0.00 C ATOM 703 CD1 LEU A 879 2.967 -1.731 -4.025 1.00 0.00 C ATOM 704 CD2 LEU A 879 2.206 -4.089 -3.760 1.00 0.00 C ATOM 0 H LEU A 879 4.806 -2.213 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 879 5.307 -1.756 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 879 3.687 -3.867 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 879 4.893 -4.469 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 879 3.993 -3.251 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 879 2.338 -1.433 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 879 3.837 -1.077 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.398 -1.651 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 879 1.576 -3.792 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 879 1.638 -4.011 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 879 2.533 -5.119 -3.621 1.00 0.00 H new ATOM 716 N VAL A 880 7.583 -2.695 -4.816 1.00 0.00 N ATOM 717 CA VAL A 880 8.950 -3.130 -5.015 1.00 0.00 C ATOM 718 C VAL A 880 9.333 -4.135 -3.938 1.00 0.00 C ATOM 719 O VAL A 880 8.942 -3.987 -2.782 1.00 0.00 O ATOM 720 CB VAL A 880 9.879 -1.919 -4.980 1.00 0.00 C ATOM 721 CG1 VAL A 880 10.796 -1.945 -6.199 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.046 -0.640 -4.997 1.00 0.00 C ATOM 0 H VAL A 880 7.426 -2.189 -3.944 1.00 0.00 H new ATOM 0 HA VAL A 880 9.044 -3.615 -5.987 1.00 0.00 H new ATOM 0 HB VAL A 880 10.482 -1.949 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.459 -1.080 -6.174 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.390 -2.859 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.194 -1.915 -7.107 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.708 0.226 -4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.444 -0.610 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.391 -0.621 -4.126 1.00 0.00 H new ATOM 732 N GLN A 881 10.101 -5.158 -4.319 1.00 0.00 N ATOM 733 CA GLN A 881 10.530 -6.180 -3.386 1.00 0.00 C ATOM 734 C GLN A 881 11.513 -5.587 -2.387 1.00 0.00 C ATOM 735 O GLN A 881 12.439 -4.875 -2.771 1.00 0.00 O ATOM 736 CB GLN A 881 11.170 -7.332 -4.155 1.00 0.00 C ATOM 737 CG GLN A 881 10.269 -7.729 -5.321 1.00 0.00 C ATOM 738 CD GLN A 881 11.087 -7.969 -6.582 1.00 0.00 C ATOM 739 OE1 GLN A 881 11.601 -9.066 -6.791 1.00 0.00 O ATOM 740 NE2 GLN A 881 11.207 -6.939 -7.422 1.00 0.00 N ATOM 0 H GLN A 881 10.435 -5.293 -5.273 1.00 0.00 H new ATOM 0 HA GLN A 881 9.669 -6.560 -2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.152 -7.035 -4.525 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.323 -8.184 -3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 881 9.714 -8.631 -5.066 1.00 0.00 H new ATOM 0 HG3 GLN A 881 9.535 -6.944 -5.503 1.00 0.00 H new ATOM 0 HE21 GLN A 881 10.761 -6.048 -7.203 1.00 0.00 H new ATOM 0 HE22 GLN A 881 11.745 -7.043 -8.283 1.00 0.00 H new ATOM 749 N GLU A 882 11.311 -5.881 -1.100 1.00 0.00 N ATOM 750 CA GLU A 882 12.182 -5.376 -0.057 1.00 0.00 C ATOM 751 C GLU A 882 13.571 -5.115 -0.621 1.00 0.00 C ATOM 752 O GLU A 882 13.984 -3.965 -0.756 1.00 0.00 O ATOM 753 CB GLU A 882 12.243 -6.386 1.085 1.00 0.00 C ATOM 754 CG GLU A 882 13.047 -5.798 2.241 1.00 0.00 C ATOM 755 CD GLU A 882 13.789 -6.891 2.997 1.00 0.00 C ATOM 756 OE1 GLU A 882 14.068 -7.931 2.363 1.00 0.00 O ATOM 757 OE2 GLU A 882 14.064 -6.665 4.196 1.00 0.00 O ATOM 0 H GLU A 882 10.548 -6.468 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 882 11.787 -4.435 0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.236 -6.636 1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.704 -7.312 0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 882 13.759 -5.067 1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.380 -5.268 2.921 1.00 0.00 H new ATOM 764 N PHE A 883 14.294 -6.188 -0.952 1.00 0.00 N ATOM 765 CA PHE A 883 15.630 -6.068 -1.499 1.00 0.00 C ATOM 766 C PHE A 883 15.571 -5.401 -2.866 1.00 0.00 C ATOM 767 O PHE A 883 16.555 -5.399 -3.601 1.00 0.00 O ATOM 768 CB PHE A 883 16.263 -7.453 -1.600 1.00 0.00 C ATOM 769 CG PHE A 883 15.634 -8.329 -2.657 1.00 0.00 C ATOM 770 CD1 PHE A 883 14.506 -9.099 -2.347 1.00 0.00 C ATOM 771 CD2 PHE A 883 16.176 -8.368 -3.947 1.00 0.00 C ATOM 772 CE1 PHE A 883 13.922 -9.909 -3.328 1.00 0.00 C ATOM 773 CE2 PHE A 883 15.591 -9.178 -4.928 1.00 0.00 C ATOM 774 CZ PHE A 883 14.464 -9.948 -4.618 1.00 0.00 C ATOM 0 H PHE A 883 13.967 -7.149 -0.847 1.00 0.00 H new ATOM 0 HA PHE A 883 16.242 -5.450 -0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.326 -7.343 -1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.184 -7.951 -0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 883 14.087 -9.068 -1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 883 17.045 -7.773 -4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 883 13.053 -10.504 -3.089 1.00 0.00 H new ATOM 0 HE2 PHE A 883 16.009 -9.209 -5.923 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.012 -10.573 -5.375 1.00 0.00 H new ATOM 784 N ASP A 884 14.411 -4.835 -3.206 1.00 0.00 N ATOM 785 CA ASP A 884 14.229 -4.170 -4.480 1.00 0.00 C ATOM 786 C ASP A 884 13.391 -2.913 -4.291 1.00 0.00 C ATOM 787 O ASP A 884 12.172 -2.951 -4.438 1.00 0.00 O ATOM 788 CB ASP A 884 13.556 -5.126 -5.461 1.00 0.00 C ATOM 789 CG ASP A 884 14.458 -6.312 -5.769 1.00 0.00 C ATOM 790 OD1 ASP A 884 15.685 -6.154 -5.590 1.00 0.00 O ATOM 791 OD2 ASP A 884 13.904 -7.355 -6.179 1.00 0.00 O ATOM 0 H ASP A 884 13.585 -4.829 -2.607 1.00 0.00 H new ATOM 0 HA ASP A 884 15.199 -3.879 -4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 884 12.614 -5.480 -5.042 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.316 -4.597 -6.383 1.00 0.00 H new ATOM 796 N MET A 885 14.048 -1.798 -3.964 1.00 0.00 N ATOM 797 CA MET A 885 13.359 -0.540 -3.755 1.00 0.00 C ATOM 798 C MET A 885 14.205 0.608 -4.285 1.00 0.00 C ATOM 799 O MET A 885 13.673 1.592 -4.794 1.00 0.00 O ATOM 800 CB MET A 885 13.074 -0.359 -2.267 1.00 0.00 C ATOM 801 CG MET A 885 14.132 -1.097 -1.453 1.00 0.00 C ATOM 802 SD MET A 885 13.696 -1.318 0.290 1.00 0.00 S ATOM 803 CE MET A 885 12.270 -2.416 0.095 1.00 0.00 C ATOM 0 H MET A 885 15.059 -1.749 -3.840 1.00 0.00 H new ATOM 0 HA MET A 885 12.413 -0.546 -4.296 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.077 0.701 -2.012 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.082 -0.742 -2.027 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.304 -2.076 -1.901 1.00 0.00 H new ATOM 0 HG3 MET A 885 15.072 -0.549 -1.515 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.311 -3.202 0.849 1.00 0.00 H new ATOM 0 HE2 MET A 885 11.351 -1.843 0.217 1.00 0.00 H new ATOM 0 HE3 MET A 885 12.289 -2.864 -0.898 1.00 0.00 H new ATOM 813 N THR A 886 15.529 0.482 -4.166 1.00 0.00 N ATOM 814 CA THR A 886 16.437 1.508 -4.635 1.00 0.00 C ATOM 815 C THR A 886 15.680 2.527 -5.475 1.00 0.00 C ATOM 816 O THR A 886 15.783 3.729 -5.240 1.00 0.00 O ATOM 817 CB THR A 886 17.557 0.864 -5.446 1.00 0.00 C ATOM 818 OG1 THR A 886 17.108 0.626 -6.761 1.00 0.00 O ATOM 819 CG2 THR A 886 17.958 -0.459 -4.799 1.00 0.00 C ATOM 0 H THR A 886 15.988 -0.326 -3.746 1.00 0.00 H new ATOM 0 HA THR A 886 16.875 2.026 -3.782 1.00 0.00 H new ATOM 0 HB THR A 886 18.418 1.532 -5.471 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.828 0.214 -7.283 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.758 -0.919 -5.378 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.305 -0.276 -3.782 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.097 -1.127 -4.774 1.00 0.00 H new ATOM 827 N SER A 887 14.917 2.042 -6.457 1.00 0.00 N ATOM 828 CA SER A 887 14.147 2.910 -7.325 1.00 0.00 C ATOM 829 C SER A 887 12.715 3.009 -6.818 1.00 0.00 C ATOM 830 O SER A 887 11.958 3.872 -7.255 1.00 0.00 O ATOM 831 CB SER A 887 14.180 2.363 -8.749 1.00 0.00 C ATOM 832 OG SER A 887 15.103 3.104 -9.516 1.00 0.00 O ATOM 0 H SER A 887 14.821 1.048 -6.665 1.00 0.00 H new ATOM 0 HA SER A 887 14.581 3.910 -7.324 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.462 1.310 -8.739 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.188 2.423 -9.196 1.00 0.00 H new ATOM 0 HG SER A 887 15.126 2.752 -10.430 1.00 0.00 H new ATOM 838 N ALA A 888 12.346 2.122 -5.891 1.00 0.00 N ATOM 839 CA ALA A 888 11.010 2.113 -5.330 1.00 0.00 C ATOM 840 C ALA A 888 10.606 3.528 -4.940 1.00 0.00 C ATOM 841 O ALA A 888 11.369 4.470 -5.140 1.00 0.00 O ATOM 842 CB ALA A 888 10.975 1.186 -4.118 1.00 0.00 C ATOM 0 H ALA A 888 12.963 1.401 -5.517 1.00 0.00 H new ATOM 0 HA ALA A 888 10.301 1.746 -6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 888 9.971 1.178 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.248 0.176 -4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.682 1.541 -3.368 1.00 0.00 H new ATOM 848 N THR A 889 9.403 3.675 -4.381 1.00 0.00 N ATOM 849 CA THR A 889 8.909 4.973 -3.967 1.00 0.00 C ATOM 850 C THR A 889 8.360 4.891 -2.551 1.00 0.00 C ATOM 851 O THR A 889 8.578 5.793 -1.744 1.00 0.00 O ATOM 852 CB THR A 889 7.829 5.438 -4.940 1.00 0.00 C ATOM 853 OG1 THR A 889 7.952 6.828 -5.148 1.00 0.00 O ATOM 854 CG2 THR A 889 6.453 5.131 -4.357 1.00 0.00 C ATOM 0 H THR A 889 8.758 2.904 -4.208 1.00 0.00 H new ATOM 0 HA THR A 889 9.725 5.696 -3.976 1.00 0.00 H new ATOM 0 HB THR A 889 7.946 4.916 -5.890 1.00 0.00 H new ATOM 0 HG21 THR A 889 5.681 5.463 -5.052 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.358 4.057 -4.195 1.00 0.00 H new ATOM 0 HG23 THR A 889 6.335 5.653 -3.407 1.00 0.00 H new ATOM 862 N HIS A 890 7.644 3.806 -2.247 1.00 0.00 N ATOM 863 CA HIS A 890 7.068 3.617 -0.931 1.00 0.00 C ATOM 864 C HIS A 890 7.517 2.282 -0.354 1.00 0.00 C ATOM 865 O HIS A 890 8.014 1.425 -1.080 1.00 0.00 O ATOM 866 CB HIS A 890 5.546 3.679 -1.029 1.00 0.00 C ATOM 867 CG HIS A 890 5.026 5.088 -1.103 1.00 0.00 C ATOM 868 ND1 HIS A 890 5.590 6.125 -1.811 1.00 0.00 N ATOM 869 CD2 HIS A 890 3.907 5.569 -0.479 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.820 7.210 -1.612 1.00 0.00 C ATOM 871 NE2 HIS A 890 3.782 6.922 -0.809 1.00 0.00 N ATOM 0 HA HIS A 890 7.410 4.409 -0.265 1.00 0.00 H new ATOM 0 HB2 HIS A 890 5.220 3.129 -1.912 1.00 0.00 H new ATOM 0 HB3 HIS A 890 5.110 3.180 -0.164 1.00 0.00 H new ATOM 0 HD2 HIS A 890 3.240 5.004 0.155 1.00 0.00 H new ATOM 0 HE1 HIS A 890 5.011 8.183 -2.041 1.00 0.00 H new ATOM 0 HE2 HIS A 890 3.050 7.562 -0.502 1.00 0.00 H new ATOM 879 N VAL A 891 7.340 2.108 0.958 1.00 0.00 N ATOM 880 CA VAL A 891 7.726 0.881 1.626 1.00 0.00 C ATOM 881 C VAL A 891 6.826 0.645 2.831 1.00 0.00 C ATOM 882 O VAL A 891 6.578 1.562 3.611 1.00 0.00 O ATOM 883 CB VAL A 891 9.188 0.974 2.052 1.00 0.00 C ATOM 884 CG1 VAL A 891 10.087 0.657 0.861 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.483 2.386 2.551 1.00 0.00 C ATOM 0 H VAL A 891 6.929 2.810 1.574 1.00 0.00 H new ATOM 0 HA VAL A 891 7.613 0.039 0.943 1.00 0.00 H new ATOM 0 HB VAL A 891 9.380 0.258 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.131 0.724 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 891 9.877 -0.351 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 891 9.896 1.372 0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.527 2.453 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.291 3.102 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.841 2.612 3.403 1.00 0.00 H new ATOM 895 N LEU A 892 6.337 -0.588 2.981 1.00 0.00 N ATOM 896 CA LEU A 892 5.470 -0.938 4.088 1.00 0.00 C ATOM 897 C LEU A 892 6.299 -1.486 5.240 1.00 0.00 C ATOM 898 O LEU A 892 7.032 -2.458 5.073 1.00 0.00 O ATOM 899 CB LEU A 892 4.443 -1.966 3.623 1.00 0.00 C ATOM 900 CG LEU A 892 3.045 -1.510 4.032 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.082 -1.714 2.866 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.574 -2.328 5.231 1.00 0.00 C ATOM 0 H LEU A 892 6.533 -1.358 2.342 1.00 0.00 H new ATOM 0 HA LEU A 892 4.943 -0.050 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.496 -2.085 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.663 -2.939 4.062 1.00 0.00 H new ATOM 0 HG LEU A 892 3.071 -0.454 4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 892 1.083 -1.389 3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.419 -1.130 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 892 2.055 -2.770 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.576 -2.003 5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.548 -3.384 4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.262 -2.182 6.064 1.00 0.00 H new ATOM 914 N GLY A 893 6.181 -0.861 6.414 1.00 0.00 N ATOM 915 CA GLY A 893 6.920 -1.292 7.584 1.00 0.00 C ATOM 916 C GLY A 893 8.042 -0.310 7.890 1.00 0.00 C ATOM 917 O GLY A 893 7.938 0.484 8.822 1.00 0.00 O ATOM 0 H GLY A 893 5.577 -0.054 6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.249 -1.366 8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 893 7.333 -2.286 7.416 1.00 0.00 H new ATOM 921 N SER A 894 9.118 -0.367 7.102 1.00 0.00 N ATOM 922 CA SER A 894 10.251 0.516 7.292 1.00 0.00 C ATOM 923 C SER A 894 10.709 1.066 5.949 1.00 0.00 C ATOM 924 O SER A 894 9.993 0.960 4.956 1.00 0.00 O ATOM 925 CB SER A 894 11.381 -0.249 7.977 1.00 0.00 C ATOM 926 OG SER A 894 11.056 -0.453 9.333 1.00 0.00 O ATOM 0 H SER A 894 9.220 -1.021 6.326 1.00 0.00 H new ATOM 0 HA SER A 894 9.961 1.355 7.925 1.00 0.00 H new ATOM 0 HB2 SER A 894 11.538 -1.207 7.482 1.00 0.00 H new ATOM 0 HB3 SER A 894 12.314 0.309 7.896 1.00 0.00 H new ATOM 0 HG SER A 894 11.780 -0.946 9.772 1.00 0.00 H new ATOM 932 N ARG A 895 11.906 1.655 5.921 1.00 0.00 N ATOM 933 CA ARG A 895 12.453 2.219 4.703 1.00 0.00 C ATOM 934 C ARG A 895 13.845 1.656 4.454 1.00 0.00 C ATOM 935 O ARG A 895 14.229 1.429 3.309 1.00 0.00 O ATOM 936 CB ARG A 895 12.498 3.739 4.823 1.00 0.00 C ATOM 937 CG ARG A 895 13.245 4.127 6.096 1.00 0.00 C ATOM 938 CD ARG A 895 13.536 5.625 6.079 1.00 0.00 C ATOM 939 NE ARG A 895 14.970 5.884 6.209 1.00 0.00 N ATOM 940 CZ ARG A 895 15.495 7.115 6.142 1.00 0.00 C ATOM 941 NH1 ARG A 895 14.696 8.174 5.948 1.00 0.00 N ATOM 942 NH2 ARG A 895 16.818 7.287 6.267 1.00 0.00 N ATOM 0 H ARG A 895 12.511 1.750 6.736 1.00 0.00 H new ATOM 0 HA ARG A 895 11.819 1.953 3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 895 12.994 4.169 3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.486 4.143 4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.649 3.871 6.972 1.00 0.00 H new ATOM 0 HG3 ARG A 895 14.176 3.566 6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 895 13.167 6.060 5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 895 13.000 6.112 6.894 1.00 0.00 H new ATOM 0 HE ARG A 895 15.597 5.093 6.357 1.00 0.00 H new ATOM 0 HH11 ARG A 895 13.689 8.042 5.852 1.00 0.00 H new ATOM 0 HH12 ARG A 895 15.095 9.111 5.897 1.00 0.00 H new ATOM 0 HH21 ARG A 895 17.426 6.481 6.413 1.00 0.00 H new ATOM 0 HH22 ARG A 895 17.218 8.224 6.216 1.00 0.00 H new ATOM 956 N ASP A 896 14.601 1.430 5.530 1.00 0.00 N ATOM 957 CA ASP A 896 15.944 0.897 5.423 1.00 0.00 C ATOM 958 C ASP A 896 16.203 0.437 3.996 1.00 0.00 C ATOM 959 O ASP A 896 16.808 1.160 3.209 1.00 0.00 O ATOM 960 CB ASP A 896 16.110 -0.261 6.403 1.00 0.00 C ATOM 961 CG ASP A 896 17.257 -1.170 5.982 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.415 -0.717 6.107 1.00 0.00 O ATOM 963 OD2 ASP A 896 16.953 -2.300 5.544 1.00 0.00 O ATOM 0 H ASP A 896 14.296 1.612 6.486 1.00 0.00 H new ATOM 0 HA ASP A 896 16.669 1.672 5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.298 0.128 7.404 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.185 -0.836 6.453 1.00 0.00 H new ATOM 968 N LYS A 897 15.741 -0.771 3.662 1.00 0.00 N ATOM 969 CA LYS A 897 15.926 -1.319 2.333 1.00 0.00 C ATOM 970 C LYS A 897 15.909 -0.197 1.304 1.00 0.00 C ATOM 971 O LYS A 897 16.593 -0.275 0.286 1.00 0.00 O ATOM 972 CB LYS A 897 14.824 -2.334 2.044 1.00 0.00 C ATOM 973 CG LYS A 897 13.801 -2.310 3.177 1.00 0.00 C ATOM 974 CD LYS A 897 12.875 -1.110 3.002 1.00 0.00 C ATOM 975 CE LYS A 897 12.219 -0.774 4.338 1.00 0.00 C ATOM 976 NZ LYS A 897 10.754 -0.729 4.210 1.00 0.00 N ATOM 0 H LYS A 897 15.236 -1.383 4.302 1.00 0.00 H new ATOM 0 HA LYS A 897 16.891 -1.823 2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.339 -2.100 1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 897 15.251 -3.332 1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.221 -3.233 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.310 -2.253 4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.439 -0.252 2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 897 12.112 -1.332 2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.500 -1.519 5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.586 0.188 4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.324 -1.362 4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.421 0.243 4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.479 -1.037 3.255 1.00 0.00 H new ATOM 990 N ASN A 898 15.124 0.849 1.572 1.00 0.00 N ATOM 991 CA ASN A 898 15.024 1.978 0.670 1.00 0.00 C ATOM 992 C ASN A 898 14.554 3.210 1.431 1.00 0.00 C ATOM 993 O ASN A 898 13.358 3.386 1.654 1.00 0.00 O ATOM 994 CB ASN A 898 14.057 1.640 -0.461 1.00 0.00 C ATOM 995 CG ASN A 898 14.697 1.895 -1.818 1.00 0.00 C ATOM 996 OD1 ASN A 898 15.829 1.484 -2.059 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.967 2.575 -2.705 1.00 0.00 N ATOM 0 H ASN A 898 14.550 0.929 2.411 1.00 0.00 H new ATOM 0 HA ASN A 898 16.003 2.193 0.242 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.756 0.595 -0.387 1.00 0.00 H new ATOM 0 HB3 ASN A 898 13.152 2.240 -0.363 1.00 0.00 H new ATOM 0 HD21 ASN A 898 14.345 2.774 -3.631 1.00 0.00 H new ATOM 0 HD22 ASN A 898 13.031 2.895 -2.457 1.00 0.00 H new ATOM 1004 N PRO A 899 15.499 4.064 1.828 1.00 0.00 N ATOM 1005 CA PRO A 899 15.240 5.286 2.559 1.00 0.00 C ATOM 1006 C PRO A 899 14.605 6.311 1.631 1.00 0.00 C ATOM 1007 O PRO A 899 14.149 7.360 2.080 1.00 0.00 O ATOM 1008 CB PRO A 899 16.613 5.756 3.036 1.00 0.00 C ATOM 1009 CG PRO A 899 17.547 5.229 1.947 1.00 0.00 C ATOM 1010 CD PRO A 899 16.914 3.889 1.582 1.00 0.00 C ATOM 0 HA PRO A 899 14.553 5.144 3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.662 6.842 3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.863 5.348 4.015 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.592 5.902 1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.567 5.109 2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 899 17.105 3.633 0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 899 17.323 3.081 2.188 1.00 0.00 H new ATOM 1018 N ALA A 900 14.578 6.006 0.331 1.00 0.00 N ATOM 1019 CA ALA A 900 14.002 6.901 -0.652 1.00 0.00 C ATOM 1020 C ALA A 900 12.526 6.580 -0.840 1.00 0.00 C ATOM 1021 O ALA A 900 11.845 7.225 -1.634 1.00 0.00 O ATOM 1022 CB ALA A 900 14.758 6.761 -1.970 1.00 0.00 C ATOM 0 H ALA A 900 14.952 5.140 -0.057 1.00 0.00 H new ATOM 0 HA ALA A 900 14.088 7.931 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 900 14.326 7.434 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.807 7.016 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.682 5.733 -2.325 1.00 0.00 H new ATOM 1028 N ALA A 901 12.033 5.580 -0.107 1.00 0.00 N ATOM 1029 CA ALA A 901 10.644 5.178 -0.197 1.00 0.00 C ATOM 1030 C ALA A 901 9.856 5.783 0.957 1.00 0.00 C ATOM 1031 O ALA A 901 10.290 6.762 1.560 1.00 0.00 O ATOM 1032 CB ALA A 901 10.553 3.655 -0.174 1.00 0.00 C ATOM 0 H ALA A 901 12.585 5.036 0.556 1.00 0.00 H new ATOM 0 HA ALA A 901 10.217 5.540 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.508 3.352 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 901 11.105 3.245 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 901 10.980 3.279 0.756 1.00 0.00 H new ATOM 1038 N GLN A 902 8.696 5.198 1.262 1.00 0.00 N ATOM 1039 CA GLN A 902 7.856 5.683 2.338 1.00 0.00 C ATOM 1040 C GLN A 902 7.556 4.550 3.310 1.00 0.00 C ATOM 1041 O GLN A 902 7.160 3.463 2.896 1.00 0.00 O ATOM 1042 CB GLN A 902 6.565 6.252 1.757 1.00 0.00 C ATOM 1043 CG GLN A 902 6.799 7.692 1.309 1.00 0.00 C ATOM 1044 CD GLN A 902 7.276 8.551 2.472 1.00 0.00 C ATOM 1045 OE1 GLN A 902 8.177 9.370 2.311 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.668 8.360 3.645 1.00 0.00 N ATOM 0 H GLN A 902 8.323 4.385 0.772 1.00 0.00 H new ATOM 0 HA GLN A 902 8.375 6.473 2.881 1.00 0.00 H new ATOM 0 HB2 GLN A 902 6.236 5.646 0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.771 6.217 2.503 1.00 0.00 H new ATOM 0 HG2 GLN A 902 7.539 7.713 0.509 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.876 8.105 0.901 1.00 0.00 H new ATOM 0 HE21 GLN A 902 5.924 7.667 3.727 1.00 0.00 H new ATOM 0 HE22 GLN A 902 6.947 8.907 4.459 1.00 0.00 H new ATOM 1055 N GLN A 903 7.746 4.807 4.606 1.00 0.00 N ATOM 1056 CA GLN A 903 7.496 3.810 5.627 1.00 0.00 C ATOM 1057 C GLN A 903 6.034 3.857 6.048 1.00 0.00 C ATOM 1058 O GLN A 903 5.725 4.181 7.193 1.00 0.00 O ATOM 1059 CB GLN A 903 8.410 4.068 6.822 1.00 0.00 C ATOM 1060 CG GLN A 903 9.867 3.996 6.373 1.00 0.00 C ATOM 1061 CD GLN A 903 10.505 5.378 6.376 1.00 0.00 C ATOM 1062 OE1 GLN A 903 11.133 5.771 7.357 1.00 0.00 O ATOM 1063 NE2 GLN A 903 10.342 6.115 5.275 1.00 0.00 N ATOM 0 H GLN A 903 8.074 5.704 4.965 1.00 0.00 H new ATOM 0 HA GLN A 903 7.707 2.817 5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 903 8.198 5.048 7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 903 8.222 3.331 7.603 1.00 0.00 H new ATOM 0 HG2 GLN A 903 10.423 3.333 7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.923 3.567 5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 903 9.812 5.744 4.487 1.00 0.00 H new ATOM 0 HE22 GLN A 903 10.748 7.049 5.222 1.00 0.00 H new ATOM 1072 N VAL A 904 5.133 3.530 5.118 1.00 0.00 N ATOM 1073 CA VAL A 904 3.711 3.536 5.395 1.00 0.00 C ATOM 1074 C VAL A 904 3.312 2.228 6.064 1.00 0.00 C ATOM 1075 O VAL A 904 4.128 1.318 6.188 1.00 0.00 O ATOM 1076 CB VAL A 904 2.940 3.735 4.093 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.892 4.233 3.010 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.325 2.408 3.659 1.00 0.00 C ATOM 0 H VAL A 904 5.374 3.258 4.165 1.00 0.00 H new ATOM 0 HA VAL A 904 3.471 4.356 6.072 1.00 0.00 H new ATOM 0 HB VAL A 904 2.149 4.469 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.342 4.375 2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.332 5.181 3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.683 3.499 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.774 2.549 2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 904 3.116 1.674 3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.645 2.052 4.433 1.00 0.00 H new ATOM 1088 N SER A 905 2.052 2.136 6.495 1.00 0.00 N ATOM 1089 CA SER A 905 1.553 0.941 7.146 1.00 0.00 C ATOM 1090 C SER A 905 0.263 0.489 6.478 1.00 0.00 C ATOM 1091 O SER A 905 -0.106 1.002 5.423 1.00 0.00 O ATOM 1092 CB SER A 905 1.323 1.228 8.627 1.00 0.00 C ATOM 1093 OG SER A 905 1.937 0.222 9.401 1.00 0.00 O ATOM 0 H SER A 905 1.363 2.882 6.401 1.00 0.00 H new ATOM 0 HA SER A 905 2.286 0.140 7.054 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.733 2.204 8.887 1.00 0.00 H new ATOM 0 HB3 SER A 905 0.255 1.264 8.840 1.00 0.00 H new ATOM 0 HG SER A 905 1.459 0.126 10.251 1.00 0.00 H new ATOM 1099 N PRO A 906 -0.425 -0.474 7.095 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.672 -1.026 6.610 1.00 0.00 C ATOM 1101 C PRO A 906 -2.788 -0.009 6.800 1.00 0.00 C ATOM 1102 O PRO A 906 -3.765 -0.009 6.054 1.00 0.00 O ATOM 1103 CB PRO A 906 -1.911 -2.267 7.467 1.00 0.00 C ATOM 1104 CG PRO A 906 -1.240 -1.899 8.790 1.00 0.00 C ATOM 1105 CD PRO A 906 -0.021 -1.099 8.336 1.00 0.00 C ATOM 0 HA PRO A 906 -1.643 -1.272 5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -2.974 -2.471 7.596 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -1.467 -3.157 7.022 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -1.898 -1.308 9.427 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -0.955 -2.784 9.359 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.261 -0.354 9.080 1.00 0.00 H new ATOM 0 HD3 PRO A 906 0.844 -1.746 8.189 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.644 0.860 7.804 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.640 1.874 8.083 1.00 0.00 C ATOM 1115 C GLU A 907 -3.623 2.934 6.992 1.00 0.00 C ATOM 1116 O GLU A 907 -4.657 3.518 6.673 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.360 2.498 9.448 1.00 0.00 C ATOM 1118 CG GLU A 907 -4.092 1.707 10.529 1.00 0.00 C ATOM 1119 CD GLU A 907 -3.674 0.244 10.508 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -2.476 -0.008 10.761 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -4.561 -0.595 10.240 1.00 0.00 O ATOM 0 H GLU A 907 -1.842 0.874 8.434 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.630 1.419 8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.288 2.499 9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -3.687 3.538 9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -3.878 2.137 11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -5.168 1.784 10.376 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.444 3.182 6.416 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.304 4.168 5.364 1.00 0.00 C ATOM 1130 C TRP A 908 -3.053 3.710 4.121 1.00 0.00 C ATOM 1131 O TRP A 908 -3.787 4.486 3.513 1.00 0.00 O ATOM 1132 CB TRP A 908 -0.823 4.376 5.057 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.539 5.330 3.942 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.503 6.676 4.056 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.250 5.041 2.540 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.213 7.235 2.829 1.00 0.00 N ATOM 1137 CE2 TRP A 908 -0.048 6.271 1.857 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.139 3.866 1.776 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 0.249 6.332 0.492 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 0.158 3.916 0.406 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.352 5.145 -0.237 1.00 0.00 C ATOM 0 H TRP A 908 -1.577 2.708 6.667 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.731 5.116 5.691 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.327 4.736 5.959 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.379 3.411 4.812 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.675 7.229 4.968 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.131 8.238 2.661 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.285 2.908 2.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.397 7.286 0.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 0.238 2.998 -0.158 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.580 5.175 -1.292 1.00 0.00 H new ATOM 1152 N ILE A 909 -2.864 2.443 3.743 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.521 1.885 2.578 1.00 0.00 C ATOM 1154 C ILE A 909 -5.026 2.085 2.690 1.00 0.00 C ATOM 1155 O ILE A 909 -5.648 2.644 1.789 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.179 0.402 2.464 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -1.952 0.230 1.573 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.360 -0.347 1.852 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -0.891 -0.576 2.319 1.00 0.00 C ATOM 0 H ILE A 909 -2.256 1.788 4.236 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.173 2.395 1.680 1.00 0.00 H new ATOM 0 HB ILE A 909 -2.968 0.001 3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.228 -0.279 0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.553 1.205 1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.116 -1.406 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.237 -0.224 2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.571 0.054 0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.014 -0.699 1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.608 -0.049 3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.293 -1.556 2.577 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.612 1.627 3.799 1.00 0.00 N ATOM 1172 CA TRP A 910 -7.038 1.762 4.018 1.00 0.00 C ATOM 1173 C TRP A 910 -7.432 3.232 3.975 1.00 0.00 C ATOM 1174 O TRP A 910 -8.278 3.627 3.176 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.406 1.143 5.363 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.791 -0.194 5.630 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -6.063 -0.514 6.722 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -6.832 -1.402 4.810 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.654 -1.828 6.635 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.102 -2.424 5.474 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.413 -1.738 3.575 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -5.954 -3.708 4.943 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.271 -3.024 3.032 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -6.544 -4.009 3.712 1.00 0.00 C ATOM 0 H TRP A 910 -5.112 1.160 4.555 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.581 1.239 3.231 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -7.108 1.829 6.156 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.490 1.045 5.417 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -5.836 0.156 7.538 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -5.090 -2.301 7.341 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -7.979 -0.993 3.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.391 -4.459 5.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -7.727 -3.256 2.081 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -6.440 -4.997 3.287 1.00 0.00 H new ATOM 1195 N ALA A 911 -6.815 4.041 4.839 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.104 5.460 4.897 1.00 0.00 C ATOM 1197 C ALA A 911 -6.897 6.085 3.524 1.00 0.00 C ATOM 1198 O ALA A 911 -7.584 7.038 3.165 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.199 6.120 5.933 1.00 0.00 C ATOM 0 H ALA A 911 -6.111 3.728 5.507 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.143 5.612 5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.415 7.187 5.978 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.378 5.672 6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.156 5.973 5.652 1.00 0.00 H new ATOM 1205 N CYS A 912 -5.947 5.543 2.758 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.652 6.044 1.431 1.00 0.00 C ATOM 1207 C CYS A 912 -6.774 5.655 0.478 1.00 0.00 C ATOM 1208 O CYS A 912 -7.614 6.485 0.136 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.317 5.475 0.958 1.00 0.00 C ATOM 1210 SG CYS A 912 -2.993 6.185 1.967 1.00 0.00 S ATOM 0 H CYS A 912 -5.370 4.752 3.045 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.578 7.131 1.453 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -4.317 4.388 1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.158 5.710 -0.094 1.00 0.00 H new ATOM 0 HG CYS A 912 -1.969 5.384 1.966 1.00 0.00 H new ATOM 1216 N ILE A 913 -6.786 4.391 0.050 1.00 0.00 N ATOM 1217 CA ILE A 913 -7.803 3.899 -0.858 1.00 0.00 C ATOM 1218 C ILE A 913 -9.169 4.420 -0.433 1.00 0.00 C ATOM 1219 O ILE A 913 -9.978 4.804 -1.274 1.00 0.00 O ATOM 1220 CB ILE A 913 -7.783 2.373 -0.865 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -9.019 1.851 -1.592 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -7.781 1.858 0.571 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -8.934 0.332 -1.712 1.00 0.00 C ATOM 0 H ILE A 913 -6.095 3.692 0.324 1.00 0.00 H new ATOM 0 HA ILE A 913 -7.599 4.256 -1.868 1.00 0.00 H new ATOM 0 HB ILE A 913 -6.887 2.024 -1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -9.920 2.134 -1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -9.089 2.301 -2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -7.767 0.768 0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -6.898 2.230 1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -8.677 2.207 1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -9.816 -0.042 -2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -8.040 0.061 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -8.884 -0.109 -0.717 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.423 4.432 0.878 1.00 0.00 N ATOM 1236 CA ARG A 914 -10.687 4.903 1.407 1.00 0.00 C ATOM 1237 C ARG A 914 -10.814 6.403 1.181 1.00 0.00 C ATOM 1238 O ARG A 914 -11.921 6.934 1.135 1.00 0.00 O ATOM 1239 CB ARG A 914 -10.770 4.572 2.894 1.00 0.00 C ATOM 1240 CG ARG A 914 -12.168 4.897 3.411 1.00 0.00 C ATOM 1241 CD ARG A 914 -12.070 5.928 4.531 1.00 0.00 C ATOM 1242 NE ARG A 914 -13.094 6.963 4.383 1.00 0.00 N ATOM 1243 CZ ARG A 914 -13.424 7.804 5.373 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -12.807 7.719 6.559 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -14.372 8.731 5.176 1.00 0.00 N ATOM 0 H ARG A 914 -8.761 4.118 1.588 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.509 4.407 0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -10.547 3.517 3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -10.024 5.144 3.447 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -12.786 5.283 2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -12.651 3.991 3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -12.184 5.434 5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -11.081 6.386 4.523 1.00 0.00 H new ATOM 0 HE ARG A 914 -13.577 7.048 3.489 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -12.085 7.014 6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -13.059 8.359 7.312 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -14.842 8.796 4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -14.624 9.371 5.929 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.675 7.085 1.038 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.667 8.518 0.818 1.00 0.00 C ATOM 1261 C LYS A 915 -9.483 8.812 -0.664 1.00 0.00 C ATOM 1262 O LYS A 915 -9.510 9.969 -1.078 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.546 9.151 1.638 1.00 0.00 C ATOM 1264 CG LYS A 915 -8.921 9.124 3.117 1.00 0.00 C ATOM 1265 CD LYS A 915 -9.998 10.170 3.389 1.00 0.00 C ATOM 1266 CE LYS A 915 -10.590 9.943 4.776 1.00 0.00 C ATOM 1267 NZ LYS A 915 -9.602 10.234 5.826 1.00 0.00 N ATOM 0 H LYS A 915 -8.749 6.659 1.072 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.618 8.944 1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.614 8.610 1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -8.378 10.178 1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.283 8.134 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -8.042 9.324 3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -9.572 11.171 3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -10.781 10.106 2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -11.466 10.578 4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -10.928 8.911 4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -10.054 10.154 6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -8.817 9.555 5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -9.236 11.199 5.700 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.294 7.760 -1.464 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.105 7.910 -2.893 1.00 0.00 C ATOM 1283 C ARG A 916 -7.894 8.790 -3.164 1.00 0.00 C ATOM 1284 O ARG A 916 -7.526 9.005 -4.316 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.363 8.516 -3.510 1.00 0.00 C ATOM 1286 CG ARG A 916 -10.767 7.707 -4.739 1.00 0.00 C ATOM 1287 CD ARG A 916 -9.989 8.203 -5.954 1.00 0.00 C ATOM 1288 NE ARG A 916 -10.317 9.597 -6.254 1.00 0.00 N ATOM 1289 CZ ARG A 916 -10.032 10.173 -7.430 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -9.421 9.467 -8.392 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -10.357 11.455 -7.645 1.00 0.00 N ATOM 0 H ARG A 916 -9.269 6.794 -1.136 1.00 0.00 H new ATOM 0 HA ARG A 916 -8.928 6.934 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -11.173 8.519 -2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.181 9.554 -3.788 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -10.566 6.649 -4.573 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -11.838 7.804 -4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -8.919 8.109 -5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -10.218 7.578 -6.817 1.00 0.00 H new ATOM 0 HE ARG A 916 -10.782 10.154 -5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -9.173 8.491 -8.229 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -9.204 9.906 -9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -10.822 11.993 -6.913 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -10.140 11.893 -8.540 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.273 9.299 -2.097 1.00 0.00 N ATOM 1306 CA ARG A 917 -6.109 10.152 -2.224 1.00 0.00 C ATOM 1307 C ARG A 917 -5.079 9.780 -1.168 1.00 0.00 C ATOM 1308 O ARG A 917 -5.369 9.818 0.026 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.531 11.612 -2.076 1.00 0.00 C ATOM 1310 CG ARG A 917 -6.510 12.000 -0.601 1.00 0.00 C ATOM 1311 CD ARG A 917 -5.078 12.322 -0.180 1.00 0.00 C ATOM 1312 NE ARG A 917 -4.971 13.696 0.310 1.00 0.00 N ATOM 1313 CZ ARG A 917 -4.599 14.718 -0.473 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -4.308 14.503 -1.763 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -4.518 15.956 0.034 1.00 0.00 N ATOM 0 H ARG A 917 -7.566 9.129 -1.135 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.658 10.015 -3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -5.858 12.256 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -7.530 11.756 -2.487 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -7.153 12.864 -0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -6.904 11.185 0.006 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -4.760 11.629 0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -4.406 12.181 -1.027 1.00 0.00 H new ATOM 0 HE ARG A 917 -5.189 13.884 1.289 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -4.370 13.561 -2.150 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -4.025 15.281 -2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -4.739 16.120 1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -4.235 16.734 -0.562 1.00 0.00 H new ATOM 1329 N LEU A 918 -3.872 9.418 -1.610 1.00 0.00 N ATOM 1330 CA LEU A 918 -2.806 9.041 -0.703 1.00 0.00 C ATOM 1331 C LEU A 918 -2.782 9.989 0.488 1.00 0.00 C ATOM 1332 O LEU A 918 -2.675 11.201 0.317 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.473 9.071 -1.445 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.276 7.753 -2.189 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -2.390 6.782 -1.809 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -1.315 8.009 -3.693 1.00 0.00 C ATOM 0 H LEU A 918 -3.616 9.381 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 918 -2.978 8.030 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.454 9.904 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.656 9.229 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.312 7.323 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -2.249 5.841 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -2.363 6.600 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -3.355 7.211 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -1.174 7.069 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -2.279 8.439 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -0.519 8.702 -3.965 1.00 0.00 H new ATOM 1348 N VAL A 919 -2.882 9.432 1.698 1.00 0.00 N ATOM 1349 CA VAL A 919 -2.871 10.228 2.909 1.00 0.00 C ATOM 1350 C VAL A 919 -1.465 10.257 3.492 1.00 0.00 C ATOM 1351 O VAL A 919 -0.504 9.894 2.819 1.00 0.00 O ATOM 1352 CB VAL A 919 -3.861 9.641 3.911 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -5.041 9.029 3.162 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -3.168 8.562 4.738 1.00 0.00 C ATOM 0 H VAL A 919 -2.971 8.428 1.856 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.170 11.251 2.681 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.220 10.430 4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.748 8.610 3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.536 9.800 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.683 8.240 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -3.875 8.142 5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.808 7.773 4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.325 8.999 5.274 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.348 10.691 4.750 1.00 0.00 N ATOM 1365 CA ALA A 920 -0.064 10.766 5.416 1.00 0.00 C ATOM 1366 C ALA A 920 0.460 9.362 5.685 1.00 0.00 C ATOM 1367 O ALA A 920 -0.116 8.626 6.483 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.212 11.547 6.718 1.00 0.00 C ATOM 0 H ALA A 920 -2.136 10.995 5.322 1.00 0.00 H new ATOM 0 HA ALA A 920 0.652 11.283 4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.754 11.604 7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.567 12.554 6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -0.928 11.042 7.366 1.00 0.00 H new ATOM 1374 N PRO A 921 1.555 8.993 5.017 1.00 0.00 N ATOM 1375 CA PRO A 921 2.193 7.701 5.146 1.00 0.00 C ATOM 1376 C PRO A 921 2.898 7.612 6.492 1.00 0.00 C ATOM 1377 O PRO A 921 3.650 8.512 6.861 1.00 0.00 O ATOM 1378 CB PRO A 921 3.197 7.643 3.996 1.00 0.00 C ATOM 1379 CG PRO A 921 3.574 9.111 3.803 1.00 0.00 C ATOM 1380 CD PRO A 921 2.257 9.834 4.071 1.00 0.00 C ATOM 0 HA PRO A 921 1.486 6.872 5.102 1.00 0.00 H new ATOM 0 HB2 PRO A 921 4.064 7.032 4.246 1.00 0.00 H new ATOM 0 HB3 PRO A 921 2.756 7.217 3.095 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.355 9.423 4.496 1.00 0.00 H new ATOM 0 HG3 PRO A 921 3.945 9.305 2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.429 10.830 4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.682 9.961 3.153 1.00 0.00 H new ATOM 1388 N CYS A 922 2.653 6.524 7.225 1.00 0.00 N ATOM 1389 CA CYS A 922 3.261 6.319 8.524 1.00 0.00 C ATOM 1390 C CYS A 922 4.721 6.743 8.476 1.00 0.00 C ATOM 1391 O CYS A 922 5.284 7.149 9.491 1.00 0.00 O ATOM 1392 CB CYS A 922 3.135 4.850 8.917 1.00 0.00 C ATOM 1393 SG CYS A 922 4.182 4.544 10.362 1.00 0.00 S ATOM 0 H CYS A 922 2.031 5.771 6.930 1.00 0.00 H new ATOM 0 HA CYS A 922 2.750 6.925 9.273 1.00 0.00 H new ATOM 0 HB2 CYS A 922 2.097 4.607 9.144 1.00 0.00 H new ATOM 0 HB3 CYS A 922 3.438 4.210 8.088 1.00 0.00 H new ATOM 0 HG CYS A 922 4.930 5.584 10.584 1.00 0.00 H new TER 1399 CYS A 922