USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 689 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 847 LEU H : A 847 LEU N : A 871 TYR OH :(H bumps) USER MOD NoAdj-H: A 855 ARGHH21 : A 855 ARG NH2 : A 878 ASP OD2 :(H bumps) USER MOD NoAdj-H: A 855 ARGHH22 : A 855 ARG NH2 : A 878 ASP CG :(H bumps) USER MOD Single : A 840 THR OG1 : rot 180:sc= 0 USER MOD Single : A 842 CYS SG : rot 90:sc= -1.08! USER MOD Single : A 843 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ 176:sc= -1.74! (180deg=-1.75!) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.359 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -100:sc= -1.47! USER MOD Single : A 866 SER OG : rot 180:sc= 0 USER MOD Single : A 881 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 885 MET CE :methyl 145:sc= -16.5! (180deg=-24.3!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 889 THR OG1 : rot 180:sc= 0 USER MOD Single : A 890 HIS : no HD1:sc= -19.3! C(o=-19!,f=-29!) USER MOD Single : A 894 SER OG : rot 180:sc= 0 USER MOD Single : A 897 LYS NZ :NH3+ 149:sc= -17.9! (180deg=-18.9!) USER MOD Single : A 898 ASN : amide:sc= -19.4! C(o=-19!,f=-27!) USER MOD Single : A 902 GLN : amide:sc= -4.93! C(o=-4.9!,f=-1.4!) USER MOD Single : A 903 GLN : amide:sc= -12.9! C(o=-13!,f=-13!) USER MOD Single : A 905 SER OG : rot 180:sc= -2.93! USER MOD Single : A 912 CYS SG : rot 166:sc= -17.9! USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 CYS SG : rot 36:sc= 0.599 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 837 -11.021 -2.931 7.066 1.00 0.00 N ATOM 20 CA ALA A 837 -10.914 -3.683 5.832 1.00 0.00 C ATOM 21 C ALA A 837 -12.271 -4.264 5.463 1.00 0.00 C ATOM 22 O ALA A 837 -12.836 -3.917 4.428 1.00 0.00 O ATOM 23 CB ALA A 837 -9.879 -4.791 6.002 1.00 0.00 C ATOM 0 HA ALA A 837 -10.592 -3.024 5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -9.797 -5.358 5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -8.912 -4.351 6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -10.188 -5.457 6.808 1.00 0.00 H new ATOM 29 N ASP A 838 -12.793 -5.152 6.312 1.00 0.00 N ATOM 30 CA ASP A 838 -14.078 -5.777 6.069 1.00 0.00 C ATOM 31 C ASP A 838 -15.074 -4.734 5.581 1.00 0.00 C ATOM 32 O ASP A 838 -15.872 -5.006 4.688 1.00 0.00 O ATOM 33 CB ASP A 838 -14.572 -6.437 7.353 1.00 0.00 C ATOM 34 CG ASP A 838 -15.013 -5.391 8.368 1.00 0.00 C ATOM 35 OD1 ASP A 838 -14.129 -4.632 8.821 1.00 0.00 O ATOM 36 OD2 ASP A 838 -16.225 -5.370 8.671 1.00 0.00 O ATOM 0 H ASP A 838 -12.337 -5.450 7.175 1.00 0.00 H new ATOM 0 HA ASP A 838 -13.976 -6.542 5.299 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -15.404 -7.103 7.127 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -13.779 -7.051 7.779 1.00 0.00 H new ATOM 41 N GLU A 839 -15.025 -3.537 6.170 1.00 0.00 N ATOM 42 CA GLU A 839 -15.921 -2.464 5.790 1.00 0.00 C ATOM 43 C GLU A 839 -15.464 -1.846 4.476 1.00 0.00 C ATOM 44 O GLU A 839 -16.285 -1.401 3.677 1.00 0.00 O ATOM 45 CB GLU A 839 -15.955 -1.415 6.898 1.00 0.00 C ATOM 46 CG GLU A 839 -17.324 -1.431 7.572 1.00 0.00 C ATOM 47 CD GLU A 839 -18.159 -0.236 7.134 1.00 0.00 C ATOM 48 OE1 GLU A 839 -17.608 0.885 7.171 1.00 0.00 O ATOM 49 OE2 GLU A 839 -19.333 -0.466 6.772 1.00 0.00 O ATOM 0 H GLU A 839 -14.369 -3.295 6.913 1.00 0.00 H new ATOM 0 HA GLU A 839 -16.927 -2.860 5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -15.175 -1.619 7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -15.753 -0.427 6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -17.846 -2.355 7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -17.201 -1.416 8.655 1.00 0.00 H new ATOM 56 N THR A 840 -14.148 -1.819 4.253 1.00 0.00 N ATOM 57 CA THR A 840 -13.593 -1.258 3.038 1.00 0.00 C ATOM 58 C THR A 840 -13.460 -2.343 1.979 1.00 0.00 C ATOM 59 O THR A 840 -14.132 -2.296 0.951 1.00 0.00 O ATOM 60 CB THR A 840 -12.236 -0.630 3.342 1.00 0.00 C ATOM 61 OG1 THR A 840 -12.388 0.361 4.333 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.672 0.003 2.073 1.00 0.00 C ATOM 0 H THR A 840 -13.453 -2.182 4.905 1.00 0.00 H new ATOM 0 HA THR A 840 -14.259 -0.485 2.654 1.00 0.00 H new ATOM 0 HB THR A 840 -11.552 -1.400 3.699 1.00 0.00 H new ATOM 0 HG1 THR A 840 -11.516 0.763 4.530 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.703 0.452 2.290 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.554 -0.762 1.306 1.00 0.00 H new ATOM 0 HG23 THR A 840 -12.356 0.773 1.715 1.00 0.00 H new ATOM 70 N LEU A 841 -12.589 -3.322 2.233 1.00 0.00 N ATOM 71 CA LEU A 841 -12.372 -4.413 1.304 1.00 0.00 C ATOM 72 C LEU A 841 -13.690 -5.117 1.017 1.00 0.00 C ATOM 73 O LEU A 841 -13.751 -6.002 0.166 1.00 0.00 O ATOM 74 CB LEU A 841 -11.356 -5.387 1.893 1.00 0.00 C ATOM 75 CG LEU A 841 -11.050 -6.481 0.873 1.00 0.00 C ATOM 76 CD1 LEU A 841 -12.191 -6.570 -0.136 1.00 0.00 C ATOM 77 CD2 LEU A 841 -9.751 -6.149 0.145 1.00 0.00 C ATOM 0 H LEU A 841 -12.024 -3.374 3.081 1.00 0.00 H new ATOM 0 HA LEU A 841 -11.980 -4.023 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -10.441 -4.858 2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -11.748 -5.828 2.809 1.00 0.00 H new ATOM 0 HG LEU A 841 -10.944 -7.437 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -11.973 -7.351 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -13.119 -6.808 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -12.298 -5.615 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -9.532 -6.930 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -9.856 -5.193 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -8.936 -6.086 0.866 1.00 0.00 H new ATOM 89 N CYS A 842 -14.747 -4.721 1.730 1.00 0.00 N ATOM 90 CA CYS A 842 -16.059 -5.310 1.552 1.00 0.00 C ATOM 91 C CYS A 842 -16.433 -5.287 0.077 1.00 0.00 C ATOM 92 O CYS A 842 -17.424 -5.895 -0.322 1.00 0.00 O ATOM 93 CB CYS A 842 -17.080 -4.537 2.383 1.00 0.00 C ATOM 94 SG CYS A 842 -18.087 -5.718 3.313 1.00 0.00 S ATOM 0 H CYS A 842 -14.710 -3.989 2.439 1.00 0.00 H new ATOM 0 HA CYS A 842 -16.049 -6.346 1.889 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -16.573 -3.854 3.065 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -17.712 -3.930 1.735 1.00 0.00 H new ATOM 0 HG CYS A 842 -17.527 -5.955 4.462 1.00 0.00 H new ATOM 100 N GLN A 843 -15.638 -4.584 -0.733 1.00 0.00 N ATOM 101 CA GLN A 843 -15.891 -4.487 -2.156 1.00 0.00 C ATOM 102 C GLN A 843 -14.760 -5.150 -2.929 1.00 0.00 C ATOM 103 O GLN A 843 -14.275 -4.601 -3.917 1.00 0.00 O ATOM 104 CB GLN A 843 -16.026 -3.018 -2.548 1.00 0.00 C ATOM 105 CG GLN A 843 -16.672 -2.243 -1.403 1.00 0.00 C ATOM 106 CD GLN A 843 -17.964 -1.580 -1.858 1.00 0.00 C ATOM 107 OE1 GLN A 843 -18.962 -2.258 -2.093 1.00 0.00 O ATOM 108 NE2 GLN A 843 -17.944 -0.251 -1.982 1.00 0.00 N ATOM 0 H GLN A 843 -14.813 -4.075 -0.417 1.00 0.00 H new ATOM 0 HA GLN A 843 -16.820 -5.002 -2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -15.046 -2.600 -2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -16.630 -2.925 -3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -16.878 -2.918 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -15.980 -1.486 -1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -17.090 0.268 -1.775 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -18.782 0.246 -2.284 1.00 0.00 H new ATOM 117 N THR A 844 -14.339 -6.334 -2.479 1.00 0.00 N ATOM 118 CA THR A 844 -13.269 -7.061 -3.132 1.00 0.00 C ATOM 119 C THR A 844 -12.137 -6.108 -3.489 1.00 0.00 C ATOM 120 O THR A 844 -12.142 -5.508 -4.562 1.00 0.00 O ATOM 121 CB THR A 844 -13.813 -7.747 -4.382 1.00 0.00 C ATOM 122 OG1 THR A 844 -13.834 -9.143 -4.180 1.00 0.00 O ATOM 123 CG2 THR A 844 -12.916 -7.420 -5.573 1.00 0.00 C ATOM 0 H THR A 844 -14.729 -6.804 -1.662 1.00 0.00 H new ATOM 0 HA THR A 844 -12.876 -7.821 -2.457 1.00 0.00 H new ATOM 0 HB THR A 844 -14.824 -7.392 -4.580 1.00 0.00 H new ATOM 0 HG1 THR A 844 -14.185 -9.584 -4.982 1.00 0.00 H new ATOM 0 HG21 THR A 844 -13.304 -7.910 -6.466 1.00 0.00 H new ATOM 0 HG22 THR A 844 -12.898 -6.341 -5.729 1.00 0.00 H new ATOM 0 HG23 THR A 844 -11.905 -7.775 -5.375 1.00 0.00 H new ATOM 131 N LYS A 845 -11.164 -5.971 -2.586 1.00 0.00 N ATOM 132 CA LYS A 845 -10.033 -5.094 -2.810 1.00 0.00 C ATOM 133 C LYS A 845 -10.517 -3.741 -3.310 1.00 0.00 C ATOM 134 O LYS A 845 -9.723 -2.819 -3.484 1.00 0.00 O ATOM 135 CB LYS A 845 -9.085 -5.736 -3.820 1.00 0.00 C ATOM 136 CG LYS A 845 -8.459 -6.985 -3.206 1.00 0.00 C ATOM 137 CD LYS A 845 -9.554 -7.996 -2.881 1.00 0.00 C ATOM 138 CE LYS A 845 -9.475 -8.375 -1.405 1.00 0.00 C ATOM 139 NZ LYS A 845 -9.407 -9.835 -1.237 1.00 0.00 N ATOM 0 H LYS A 845 -11.145 -6.462 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 845 -9.497 -4.941 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -9.627 -5.997 -4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -8.306 -5.028 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -7.740 -7.422 -3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -7.911 -6.723 -2.301 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -10.533 -7.573 -3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -9.440 -8.884 -3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -8.597 -7.912 -0.954 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -10.346 -7.985 -0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -9.286 -10.063 -0.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -10.287 -10.266 -1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -8.600 -10.209 -1.776 1.00 0.00 H new ATOM 153 N VAL A 846 -11.827 -3.623 -3.543 1.00 0.00 N ATOM 154 CA VAL A 846 -12.411 -2.386 -4.021 1.00 0.00 C ATOM 155 C VAL A 846 -11.374 -1.598 -4.808 1.00 0.00 C ATOM 156 O VAL A 846 -11.623 -1.205 -5.946 1.00 0.00 O ATOM 157 CB VAL A 846 -12.922 -1.574 -2.835 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.132 -2.497 -1.638 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.899 -0.500 -2.476 1.00 0.00 C ATOM 0 H VAL A 846 -12.499 -4.378 -3.405 1.00 0.00 H new ATOM 0 HA VAL A 846 -13.250 -2.606 -4.681 1.00 0.00 H new ATOM 0 HB VAL A 846 -13.868 -1.101 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.497 -1.917 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -13.863 -3.264 -1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -12.186 -2.970 -1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -12.263 0.081 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -10.953 -0.972 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -11.749 0.160 -3.331 1.00 0.00 H new ATOM 169 N LEU A 847 -10.208 -1.369 -4.200 1.00 0.00 N ATOM 170 CA LEU A 847 -9.141 -0.631 -4.846 1.00 0.00 C ATOM 171 C LEU A 847 -9.453 0.858 -4.820 1.00 0.00 C ATOM 172 O LEU A 847 -9.614 1.443 -3.751 1.00 0.00 O ATOM 173 CB LEU A 847 -8.977 -1.124 -6.281 1.00 0.00 C ATOM 174 CG LEU A 847 -9.010 -2.650 -6.301 1.00 0.00 C ATOM 175 CD1 LEU A 847 -7.985 -3.194 -5.310 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.404 -3.133 -5.909 1.00 0.00 C ATOM 0 HA LEU A 847 -8.206 -0.795 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.774 -0.724 -6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -8.035 -0.764 -6.695 1.00 0.00 H new ATOM 0 HG LEU A 847 -8.770 -3.006 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -8.008 -4.284 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -6.990 -2.849 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.224 -2.839 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.429 -4.223 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.644 -2.777 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -11.136 -2.744 -6.617 1.00 0.00 H new ATOM 188 N LEU A 848 -9.540 1.472 -6.003 1.00 0.00 N ATOM 189 CA LEU A 848 -9.833 2.887 -6.111 1.00 0.00 C ATOM 190 C LEU A 848 -8.536 3.679 -6.186 1.00 0.00 C ATOM 191 O LEU A 848 -7.458 3.133 -5.958 1.00 0.00 O ATOM 192 CB LEU A 848 -10.666 3.327 -4.910 1.00 0.00 C ATOM 193 CG LEU A 848 -12.141 3.359 -5.299 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.993 3.558 -4.048 1.00 0.00 C ATOM 195 CD2 LEU A 848 -12.386 4.510 -6.270 1.00 0.00 C ATOM 0 H LEU A 848 -9.410 1.001 -6.898 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.403 3.075 -7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.513 2.641 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -10.346 4.313 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 848 -12.411 2.417 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -14.047 3.581 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.818 2.736 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.723 4.500 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -13.440 4.533 -6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -12.116 5.452 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -11.778 4.368 -7.163 1.00 0.00 H new ATOM 207 N ASP A 849 -8.640 4.971 -6.506 1.00 0.00 N ATOM 208 CA ASP A 849 -7.478 5.830 -6.610 1.00 0.00 C ATOM 209 C ASP A 849 -6.932 6.128 -5.221 1.00 0.00 C ATOM 210 O ASP A 849 -6.723 7.287 -4.871 1.00 0.00 O ATOM 211 CB ASP A 849 -7.862 7.119 -7.330 1.00 0.00 C ATOM 212 CG ASP A 849 -8.275 6.838 -8.767 1.00 0.00 C ATOM 213 OD1 ASP A 849 -9.397 6.317 -8.944 1.00 0.00 O ATOM 214 OD2 ASP A 849 -7.460 7.149 -9.663 1.00 0.00 O ATOM 0 H ASP A 849 -9.526 5.439 -6.697 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.699 5.328 -7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -8.681 7.605 -6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -7.020 7.811 -7.318 1.00 0.00 H new ATOM 219 N ILE A 850 -6.702 5.078 -4.430 1.00 0.00 N ATOM 220 CA ILE A 850 -6.182 5.230 -3.086 1.00 0.00 C ATOM 221 C ILE A 850 -4.719 5.644 -3.144 1.00 0.00 C ATOM 222 O ILE A 850 -4.395 6.814 -2.953 1.00 0.00 O ATOM 223 CB ILE A 850 -6.345 3.916 -2.326 1.00 0.00 C ATOM 224 CG1 ILE A 850 -7.816 3.707 -1.979 1.00 0.00 C ATOM 225 CG2 ILE A 850 -5.521 3.967 -1.042 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.668 3.926 -3.226 1.00 0.00 C ATOM 0 H ILE A 850 -6.872 4.111 -4.707 1.00 0.00 H new ATOM 0 HA ILE A 850 -6.738 6.007 -2.562 1.00 0.00 H new ATOM 0 HB ILE A 850 -5.999 3.091 -2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -7.970 2.700 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -8.117 4.400 -1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -5.636 3.029 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -4.470 4.116 -1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -5.867 4.792 -0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -9.719 3.777 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.522 4.942 -3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -8.372 3.216 -3.998 1.00 0.00 H new ATOM 238 N PHE A 851 -3.833 4.680 -3.408 1.00 0.00 N ATOM 239 CA PHE A 851 -2.412 4.952 -3.490 1.00 0.00 C ATOM 240 C PHE A 851 -2.055 5.416 -4.895 1.00 0.00 C ATOM 241 O PHE A 851 -0.974 5.112 -5.395 1.00 0.00 O ATOM 242 CB PHE A 851 -1.633 3.692 -3.121 1.00 0.00 C ATOM 243 CG PHE A 851 -2.266 2.897 -2.004 1.00 0.00 C ATOM 244 CD1 PHE A 851 -3.300 1.996 -2.285 1.00 0.00 C ATOM 245 CD2 PHE A 851 -1.821 3.064 -0.687 1.00 0.00 C ATOM 246 CE1 PHE A 851 -3.889 1.261 -1.249 1.00 0.00 C ATOM 247 CE2 PHE A 851 -2.409 2.328 0.349 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.443 1.427 0.068 1.00 0.00 C ATOM 0 H PHE A 851 -4.085 3.704 -3.568 1.00 0.00 H new ATOM 0 HA PHE A 851 -2.148 5.745 -2.790 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.545 3.058 -4.003 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.621 3.973 -2.828 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -3.643 1.868 -3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -1.024 3.760 -0.470 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -4.687 0.566 -1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -2.065 2.455 1.365 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.897 0.860 0.867 1.00 0.00 H new ATOM 258 N THR A 852 -2.966 6.155 -5.532 1.00 0.00 N ATOM 259 CA THR A 852 -2.738 6.655 -6.873 1.00 0.00 C ATOM 260 C THR A 852 -1.249 6.873 -7.099 1.00 0.00 C ATOM 261 O THR A 852 -0.655 7.778 -6.518 1.00 0.00 O ATOM 262 CB THR A 852 -3.510 7.957 -7.067 1.00 0.00 C ATOM 263 OG1 THR A 852 -4.083 7.976 -8.355 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.558 9.140 -6.917 1.00 0.00 C ATOM 0 H THR A 852 -3.867 6.416 -5.133 1.00 0.00 H new ATOM 0 HA THR A 852 -3.091 5.925 -7.601 1.00 0.00 H new ATOM 0 HB THR A 852 -4.298 8.027 -6.317 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.580 8.811 -8.479 1.00 0.00 H new ATOM 0 HG21 THR A 852 -3.109 10.070 -7.056 1.00 0.00 H new ATOM 0 HG22 THR A 852 -2.114 9.126 -5.922 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.770 9.070 -7.667 1.00 0.00 H new ATOM 272 N GLY A 853 -0.644 6.038 -7.948 1.00 0.00 N ATOM 273 CA GLY A 853 0.771 6.146 -8.243 1.00 0.00 C ATOM 274 C GLY A 853 1.569 6.299 -6.956 1.00 0.00 C ATOM 275 O GLY A 853 2.074 7.379 -6.660 1.00 0.00 O ATOM 0 H GLY A 853 -1.120 5.282 -8.439 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.105 5.260 -8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 853 0.949 7.002 -8.893 1.00 0.00 H new ATOM 279 N VAL A 854 1.680 5.211 -6.190 1.00 0.00 N ATOM 280 CA VAL A 854 2.414 5.227 -4.940 1.00 0.00 C ATOM 281 C VAL A 854 3.483 4.144 -4.957 1.00 0.00 C ATOM 282 O VAL A 854 3.305 3.104 -5.586 1.00 0.00 O ATOM 283 CB VAL A 854 1.445 5.015 -3.780 1.00 0.00 C ATOM 284 CG1 VAL A 854 2.196 4.414 -2.595 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.838 6.354 -3.373 1.00 0.00 C ATOM 0 H VAL A 854 1.266 4.308 -6.422 1.00 0.00 H new ATOM 0 HA VAL A 854 2.905 6.192 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 854 0.650 4.336 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 854 1.505 4.262 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 854 2.629 3.457 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.991 5.093 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 854 0.146 6.203 -2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.632 7.034 -3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.302 6.783 -4.220 1.00 0.00 H new ATOM 295 N ARG A 855 4.595 4.391 -4.261 1.00 0.00 N ATOM 296 CA ARG A 855 5.686 3.438 -4.200 1.00 0.00 C ATOM 297 C ARG A 855 5.726 2.789 -2.824 1.00 0.00 C ATOM 298 O ARG A 855 6.774 2.753 -2.183 1.00 0.00 O ATOM 299 CB ARG A 855 7.001 4.152 -4.499 1.00 0.00 C ATOM 300 CG ARG A 855 7.117 4.395 -6.001 1.00 0.00 C ATOM 301 CD ARG A 855 6.948 3.073 -6.745 1.00 0.00 C ATOM 302 NE ARG A 855 5.858 3.153 -7.718 1.00 0.00 N ATOM 303 CZ ARG A 855 5.862 2.468 -8.869 1.00 0.00 C ATOM 304 NH1 ARG A 855 6.893 1.667 -9.170 1.00 0.00 N ATOM 305 NH2 ARG A 855 4.834 2.585 -9.721 1.00 0.00 N ATOM 0 H ARG A 855 4.756 5.249 -3.733 1.00 0.00 H new ATOM 0 HA ARG A 855 5.534 2.657 -4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 855 7.043 5.100 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 855 7.841 3.551 -4.151 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.357 5.106 -6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 855 8.086 4.835 -6.235 1.00 0.00 H new ATOM 0 HD2 ARG A 855 7.877 2.817 -7.255 1.00 0.00 H new ATOM 0 HD3 ARG A 855 6.745 2.274 -6.032 1.00 0.00 H new ATOM 0 HE ARG A 855 5.062 3.756 -7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 855 7.676 1.578 -8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 855 6.895 1.146 -10.047 1.00 0.00 H new ATOM 319 N LEU A 856 4.580 2.275 -2.370 1.00 0.00 N ATOM 320 CA LEU A 856 4.491 1.630 -1.076 1.00 0.00 C ATOM 321 C LEU A 856 5.057 0.220 -1.160 1.00 0.00 C ATOM 322 O LEU A 856 4.513 -0.628 -1.865 1.00 0.00 O ATOM 323 CB LEU A 856 3.034 1.601 -0.622 1.00 0.00 C ATOM 324 CG LEU A 856 2.828 0.446 0.353 1.00 0.00 C ATOM 325 CD1 LEU A 856 4.171 -0.215 0.650 1.00 0.00 C ATOM 326 CD2 LEU A 856 2.225 0.978 1.650 1.00 0.00 C ATOM 0 H LEU A 856 3.702 2.298 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 856 5.075 2.191 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 856 2.772 2.545 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 856 2.376 1.486 -1.483 1.00 0.00 H new ATOM 0 HG LEU A 856 2.153 -0.287 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 856 4.024 -1.040 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 856 4.603 -0.594 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 856 4.847 0.517 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 856 2.077 0.154 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 856 2.901 1.711 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 856 1.266 1.450 1.438 1.00 0.00 H new ATOM 338 N TYR A 857 6.152 -0.030 -0.440 1.00 0.00 N ATOM 339 CA TYR A 857 6.785 -1.334 -0.439 1.00 0.00 C ATOM 340 C TYR A 857 6.042 -2.267 0.506 1.00 0.00 C ATOM 341 O TYR A 857 6.345 -2.318 1.696 1.00 0.00 O ATOM 342 CB TYR A 857 8.245 -1.189 -0.021 1.00 0.00 C ATOM 343 CG TYR A 857 8.724 -2.295 0.889 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.329 -3.617 0.652 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.563 -1.998 1.970 1.00 0.00 C ATOM 346 CE1 TYR A 857 8.772 -4.642 1.496 1.00 0.00 C ATOM 347 CE2 TYR A 857 10.006 -3.023 2.814 1.00 0.00 C ATOM 348 CZ TYR A 857 9.611 -4.345 2.577 1.00 0.00 C ATOM 349 OH TYR A 857 10.043 -5.344 3.399 1.00 0.00 O ATOM 0 H TYR A 857 6.614 0.662 0.150 1.00 0.00 H new ATOM 0 HA TYR A 857 6.749 -1.761 -1.441 1.00 0.00 H new ATOM 0 HB2 TYR A 857 8.870 -1.168 -0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.377 -0.232 0.483 1.00 0.00 H new ATOM 0 HD1 TYR A 857 7.682 -3.846 -0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.868 -0.978 2.153 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.467 -5.662 1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.653 -2.794 3.648 1.00 0.00 H new ATOM 0 HH TYR A 857 10.618 -4.967 4.098 1.00 0.00 H new ATOM 359 N LEU A 858 5.068 -3.008 -0.027 1.00 0.00 N ATOM 360 CA LEU A 858 4.289 -3.935 0.770 1.00 0.00 C ATOM 361 C LEU A 858 5.134 -5.151 1.122 1.00 0.00 C ATOM 362 O LEU A 858 5.461 -5.955 0.253 1.00 0.00 O ATOM 363 CB LEU A 858 3.043 -4.350 -0.008 1.00 0.00 C ATOM 364 CG LEU A 858 2.068 -5.054 0.932 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.497 -4.820 2.378 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.664 -4.495 0.720 1.00 0.00 C ATOM 0 H LEU A 858 4.806 -2.978 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 858 3.980 -3.452 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.569 -3.474 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.317 -5.013 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 858 2.068 -6.124 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 858 1.801 -5.322 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.500 -5.219 2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.497 -3.751 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 858 -0.033 -4.997 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.663 -3.425 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.358 -4.662 -0.313 1.00 0.00 H new ATOM 378 N PRO A 859 5.488 -5.282 2.403 1.00 0.00 N ATOM 379 CA PRO A 859 6.286 -6.373 2.921 1.00 0.00 C ATOM 380 C PRO A 859 5.455 -7.647 2.945 1.00 0.00 C ATOM 381 O PRO A 859 4.240 -7.595 3.124 1.00 0.00 O ATOM 382 CB PRO A 859 6.668 -5.941 4.335 1.00 0.00 C ATOM 383 CG PRO A 859 5.487 -5.066 4.752 1.00 0.00 C ATOM 384 CD PRO A 859 5.120 -4.355 3.451 1.00 0.00 C ATOM 0 HA PRO A 859 7.167 -6.580 2.314 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.792 -6.796 4.999 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.607 -5.387 4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.658 -5.661 5.136 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.763 -4.360 5.535 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.056 -4.121 3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.658 -3.412 3.351 1.00 0.00 H new ATOM 392 N PRO A 860 6.113 -8.795 2.763 1.00 0.00 N ATOM 393 CA PRO A 860 5.490 -10.100 2.756 1.00 0.00 C ATOM 394 C PRO A 860 5.078 -10.478 4.171 1.00 0.00 C ATOM 395 O PRO A 860 4.235 -11.352 4.363 1.00 0.00 O ATOM 396 CB PRO A 860 6.567 -11.045 2.228 1.00 0.00 C ATOM 397 CG PRO A 860 7.860 -10.378 2.694 1.00 0.00 C ATOM 398 CD PRO A 860 7.541 -8.892 2.551 1.00 0.00 C ATOM 0 HA PRO A 860 4.589 -10.137 2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 860 6.460 -12.050 2.637 1.00 0.00 H new ATOM 0 HB3 PRO A 860 6.528 -11.137 1.143 1.00 0.00 H new ATOM 0 HG2 PRO A 860 8.104 -10.643 3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.711 -10.671 2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 860 8.090 -8.298 3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.820 -8.521 1.565 1.00 0.00 H new ATOM 406 N SER A 861 5.678 -9.818 5.165 1.00 0.00 N ATOM 407 CA SER A 861 5.371 -10.089 6.555 1.00 0.00 C ATOM 408 C SER A 861 4.111 -9.339 6.962 1.00 0.00 C ATOM 409 O SER A 861 3.557 -9.586 8.031 1.00 0.00 O ATOM 410 CB SER A 861 6.553 -9.672 7.426 1.00 0.00 C ATOM 411 OG SER A 861 7.080 -10.807 8.077 1.00 0.00 O ATOM 0 H SER A 861 6.380 -9.092 5.023 1.00 0.00 H new ATOM 0 HA SER A 861 5.194 -11.156 6.691 1.00 0.00 H new ATOM 0 HB2 SER A 861 7.322 -9.201 6.813 1.00 0.00 H new ATOM 0 HB3 SER A 861 6.234 -8.933 8.161 1.00 0.00 H new ATOM 0 HG SER A 861 7.840 -10.540 8.635 1.00 0.00 H new ATOM 417 N THR A 862 3.657 -8.422 6.105 1.00 0.00 N ATOM 418 CA THR A 862 2.464 -7.646 6.381 1.00 0.00 C ATOM 419 C THR A 862 1.225 -8.500 6.153 1.00 0.00 C ATOM 420 O THR A 862 1.181 -9.297 5.219 1.00 0.00 O ATOM 421 CB THR A 862 2.443 -6.412 5.485 1.00 0.00 C ATOM 422 OG1 THR A 862 2.908 -5.296 6.210 1.00 0.00 O ATOM 423 CG2 THR A 862 1.016 -6.152 5.011 1.00 0.00 C ATOM 0 H THR A 862 4.104 -8.204 5.215 1.00 0.00 H new ATOM 0 HA THR A 862 2.470 -7.324 7.422 1.00 0.00 H new ATOM 0 HB THR A 862 3.088 -6.579 4.622 1.00 0.00 H new ATOM 0 HG1 THR A 862 2.144 -4.763 6.516 1.00 0.00 H new ATOM 0 HG21 THR A 862 1.000 -5.270 4.371 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.656 -7.014 4.450 1.00 0.00 H new ATOM 0 HG23 THR A 862 0.371 -5.985 5.874 1.00 0.00 H new ATOM 431 N PRO A 863 0.217 -8.331 7.011 1.00 0.00 N ATOM 432 CA PRO A 863 -1.036 -9.051 6.949 1.00 0.00 C ATOM 433 C PRO A 863 -1.859 -8.545 5.773 1.00 0.00 C ATOM 434 O PRO A 863 -1.639 -7.437 5.291 1.00 0.00 O ATOM 435 CB PRO A 863 -1.730 -8.745 8.275 1.00 0.00 C ATOM 436 CG PRO A 863 -1.208 -7.349 8.615 1.00 0.00 C ATOM 437 CD PRO A 863 0.236 -7.402 8.121 1.00 0.00 C ATOM 0 HA PRO A 863 -0.902 -10.123 6.805 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -2.815 -8.758 8.176 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.471 -9.472 9.044 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -1.780 -6.569 8.112 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -1.263 -7.145 9.684 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.582 -6.418 7.806 1.00 0.00 H new ATOM 0 HD3 PRO A 863 0.910 -7.740 8.908 1.00 0.00 H new ATOM 445 N ASP A 864 -2.808 -9.362 5.311 1.00 0.00 N ATOM 446 CA ASP A 864 -3.655 -8.995 4.194 1.00 0.00 C ATOM 447 C ASP A 864 -2.801 -8.750 2.959 1.00 0.00 C ATOM 448 O ASP A 864 -3.291 -8.242 1.953 1.00 0.00 O ATOM 449 CB ASP A 864 -4.457 -7.747 4.553 1.00 0.00 C ATOM 450 CG ASP A 864 -5.826 -8.119 5.103 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.174 -9.315 4.996 1.00 0.00 O ATOM 452 OD2 ASP A 864 -6.499 -7.201 5.620 1.00 0.00 O ATOM 0 H ASP A 864 -3.003 -10.284 5.701 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.349 -9.807 3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -3.912 -7.160 5.292 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -4.574 -7.119 3.670 1.00 0.00 H new ATOM 457 N PHE A 865 -1.518 -9.114 3.035 1.00 0.00 N ATOM 458 CA PHE A 865 -0.606 -8.932 1.924 1.00 0.00 C ATOM 459 C PHE A 865 -1.292 -9.324 0.623 1.00 0.00 C ATOM 460 O PHE A 865 -1.332 -8.539 -0.322 1.00 0.00 O ATOM 461 CB PHE A 865 0.646 -9.774 2.152 1.00 0.00 C ATOM 462 CG PHE A 865 1.833 -9.323 1.335 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.251 -7.988 1.386 1.00 0.00 C ATOM 464 CD2 PHE A 865 2.517 -10.240 0.529 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.353 -7.570 0.631 1.00 0.00 C ATOM 466 CE2 PHE A 865 3.619 -9.823 -0.226 1.00 0.00 C ATOM 467 CZ PHE A 865 4.037 -8.487 -0.176 1.00 0.00 C ATOM 0 H PHE A 865 -1.095 -9.537 3.861 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.315 -7.884 1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 865 0.909 -9.740 3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.424 -10.814 1.912 1.00 0.00 H new ATOM 0 HD1 PHE A 865 1.723 -7.280 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 865 2.194 -11.270 0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.676 -6.540 0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 865 4.147 -10.531 -0.847 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.887 -8.164 -0.760 1.00 0.00 H new ATOM 477 N SER A 866 -1.833 -10.544 0.576 1.00 0.00 N ATOM 478 CA SER A 866 -2.513 -11.032 -0.607 1.00 0.00 C ATOM 479 C SER A 866 -3.109 -9.863 -1.379 1.00 0.00 C ATOM 480 O SER A 866 -2.733 -9.615 -2.522 1.00 0.00 O ATOM 481 CB SER A 866 -3.602 -12.019 -0.195 1.00 0.00 C ATOM 482 OG SER A 866 -3.279 -13.303 -0.681 1.00 0.00 O ATOM 0 H SER A 866 -1.808 -11.207 1.351 1.00 0.00 H new ATOM 0 HA SER A 866 -1.802 -11.544 -1.255 1.00 0.00 H new ATOM 0 HB2 SER A 866 -3.695 -12.042 0.891 1.00 0.00 H new ATOM 0 HB3 SER A 866 -4.566 -11.700 -0.591 1.00 0.00 H new ATOM 0 HG SER A 866 -3.977 -13.938 -0.416 1.00 0.00 H new ATOM 488 N ARG A 867 -4.042 -9.144 -0.750 1.00 0.00 N ATOM 489 CA ARG A 867 -4.684 -8.007 -1.379 1.00 0.00 C ATOM 490 C ARG A 867 -3.765 -6.796 -1.315 1.00 0.00 C ATOM 491 O ARG A 867 -3.439 -6.207 -2.343 1.00 0.00 O ATOM 492 CB ARG A 867 -6.008 -7.720 -0.676 1.00 0.00 C ATOM 493 CG ARG A 867 -6.658 -9.035 -0.257 1.00 0.00 C ATOM 494 CD ARG A 867 -6.201 -9.403 1.152 1.00 0.00 C ATOM 495 NE ARG A 867 -7.339 -9.480 2.069 1.00 0.00 N ATOM 496 CZ ARG A 867 -7.358 -10.291 3.135 1.00 0.00 C ATOM 497 NH1 ARG A 867 -6.305 -11.077 3.398 1.00 0.00 N ATOM 498 NH2 ARG A 867 -8.431 -10.318 3.938 1.00 0.00 N ATOM 0 H ARG A 867 -4.365 -9.337 0.198 1.00 0.00 H new ATOM 0 HA ARG A 867 -4.885 -8.230 -2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -5.839 -7.091 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.673 -7.169 -1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -7.744 -8.942 -0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -6.387 -9.826 -0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -5.681 -10.361 1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -5.488 -8.661 1.512 1.00 0.00 H new ATOM 0 HE ARG A 867 -8.152 -8.891 1.889 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -5.489 -11.058 2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -6.320 -11.694 4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -9.233 -9.721 3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -8.445 -10.936 4.750 1.00 0.00 H new ATOM 512 N LEU A 868 -3.348 -6.424 -0.102 1.00 0.00 N ATOM 513 CA LEU A 868 -2.470 -5.287 0.089 1.00 0.00 C ATOM 514 C LEU A 868 -1.611 -5.083 -1.150 1.00 0.00 C ATOM 515 O LEU A 868 -1.499 -3.967 -1.655 1.00 0.00 O ATOM 516 CB LEU A 868 -1.597 -5.520 1.319 1.00 0.00 C ATOM 517 CG LEU A 868 -2.442 -5.359 2.580 1.00 0.00 C ATOM 518 CD1 LEU A 868 -1.571 -4.823 3.712 1.00 0.00 C ATOM 519 CD2 LEU A 868 -3.581 -4.381 2.307 1.00 0.00 C ATOM 0 H LEU A 868 -3.610 -6.902 0.760 1.00 0.00 H new ATOM 0 HA LEU A 868 -3.065 -4.387 0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -1.161 -6.519 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.769 -4.811 1.330 1.00 0.00 H new ATOM 0 HG LEU A 868 -2.854 -6.326 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -2.175 -4.708 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -0.757 -5.522 3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -1.158 -3.856 3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -4.185 -4.265 3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -3.169 -3.414 2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -4.204 -4.764 1.499 1.00 0.00 H new ATOM 531 N ARG A 869 -1.002 -6.165 -1.641 1.00 0.00 N ATOM 532 CA ARG A 869 -0.157 -6.100 -2.816 1.00 0.00 C ATOM 533 C ARG A 869 -1.019 -6.028 -4.068 1.00 0.00 C ATOM 534 O ARG A 869 -1.347 -4.940 -4.537 1.00 0.00 O ATOM 535 CB ARG A 869 0.751 -7.326 -2.856 1.00 0.00 C ATOM 536 CG ARG A 869 1.847 -7.113 -3.897 1.00 0.00 C ATOM 537 CD ARG A 869 3.071 -7.945 -3.525 1.00 0.00 C ATOM 538 NE ARG A 869 2.678 -9.252 -2.997 1.00 0.00 N ATOM 539 CZ ARG A 869 2.585 -10.346 -3.765 1.00 0.00 C ATOM 540 NH1 ARG A 869 2.859 -10.271 -5.075 1.00 0.00 N ATOM 541 NH2 ARG A 869 2.219 -11.515 -3.224 1.00 0.00 N ATOM 0 H ARG A 869 -1.085 -7.097 -1.234 1.00 0.00 H new ATOM 0 HA ARG A 869 0.463 -5.205 -2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 869 1.194 -7.496 -1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 869 0.169 -8.215 -3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 869 1.486 -7.400 -4.885 1.00 0.00 H new ATOM 0 HG3 ARG A 869 2.114 -6.057 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 869 3.704 -8.079 -4.402 1.00 0.00 H new ATOM 0 HD3 ARG A 869 3.665 -7.412 -2.782 1.00 0.00 H new ATOM 0 HE ARG A 869 2.466 -9.334 -2.003 1.00 0.00 H new ATOM 0 HH11 ARG A 869 3.138 -9.381 -5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 869 2.788 -11.104 -5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 869 2.011 -11.573 -2.227 1.00 0.00 H new ATOM 0 HH22 ARG A 869 2.148 -12.348 -3.809 1.00 0.00 H new ATOM 555 N ARG A 870 -1.388 -7.192 -4.610 1.00 0.00 N ATOM 556 CA ARG A 870 -2.208 -7.255 -5.802 1.00 0.00 C ATOM 557 C ARG A 870 -3.128 -6.044 -5.860 1.00 0.00 C ATOM 558 O ARG A 870 -3.329 -5.464 -6.925 1.00 0.00 O ATOM 559 CB ARG A 870 -3.017 -8.548 -5.794 1.00 0.00 C ATOM 560 CG ARG A 870 -3.344 -8.953 -7.229 1.00 0.00 C ATOM 561 CD ARG A 870 -2.141 -9.663 -7.844 1.00 0.00 C ATOM 562 NE ARG A 870 -1.763 -10.835 -7.055 1.00 0.00 N ATOM 563 CZ ARG A 870 -2.321 -12.040 -7.233 1.00 0.00 C ATOM 564 NH1 ARG A 870 -3.268 -12.209 -8.166 1.00 0.00 N ATOM 565 NH2 ARG A 870 -1.933 -13.077 -6.478 1.00 0.00 N ATOM 0 H ARG A 870 -1.125 -8.103 -4.233 1.00 0.00 H new ATOM 0 HA ARG A 870 -1.571 -7.245 -6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -2.453 -9.340 -5.301 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -3.937 -8.411 -5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -4.214 -9.610 -7.244 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -3.600 -8.072 -7.818 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -2.376 -9.967 -8.864 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -1.299 -8.974 -7.904 1.00 0.00 H new ATOM 0 HE ARG A 870 -1.044 -10.731 -6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 870 -3.564 -11.420 -8.741 1.00 0.00 H new ATOM 0 HH12 ARG A 870 -3.693 -13.126 -8.301 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -1.213 -12.949 -5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 870 -2.358 -13.994 -6.614 1.00 0.00 H new ATOM 579 N TYR A 871 -3.688 -5.662 -4.710 1.00 0.00 N ATOM 580 CA TYR A 871 -4.583 -4.525 -4.638 1.00 0.00 C ATOM 581 C TYR A 871 -3.810 -3.241 -4.903 1.00 0.00 C ATOM 582 O TYR A 871 -3.977 -2.617 -5.949 1.00 0.00 O ATOM 583 CB TYR A 871 -5.243 -4.485 -3.263 1.00 0.00 C ATOM 584 CG TYR A 871 -6.454 -3.584 -3.201 1.00 0.00 C ATOM 585 CD1 TYR A 871 -6.630 -2.581 -4.162 1.00 0.00 C ATOM 586 CD2 TYR A 871 -7.400 -3.752 -2.183 1.00 0.00 C ATOM 587 CE1 TYR A 871 -7.752 -1.745 -4.104 1.00 0.00 C ATOM 588 CE2 TYR A 871 -8.522 -2.916 -2.125 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.698 -1.913 -3.086 1.00 0.00 C ATOM 590 OH TYR A 871 -9.791 -1.099 -3.029 1.00 0.00 O ATOM 0 H TYR A 871 -3.531 -6.131 -3.818 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.360 -4.620 -5.397 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.537 -5.496 -2.981 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.512 -4.149 -2.528 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -5.901 -2.452 -4.948 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -7.265 -4.526 -1.442 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -7.887 -0.971 -4.845 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -9.251 -3.045 -1.339 1.00 0.00 H new ATOM 600 N PHE A 872 -2.960 -2.847 -3.951 1.00 0.00 N ATOM 601 CA PHE A 872 -2.167 -1.642 -4.088 1.00 0.00 C ATOM 602 C PHE A 872 -1.723 -1.477 -5.535 1.00 0.00 C ATOM 603 O PHE A 872 -2.380 -0.790 -6.314 1.00 0.00 O ATOM 604 CB PHE A 872 -0.961 -1.720 -3.157 1.00 0.00 C ATOM 605 CG PHE A 872 -0.239 -0.403 -2.994 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.192 0.304 -4.122 1.00 0.00 C ATOM 607 CD2 PHE A 872 -0.004 0.111 -1.713 1.00 0.00 C ATOM 608 CE1 PHE A 872 0.859 1.526 -3.970 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.663 1.332 -1.561 1.00 0.00 C ATOM 610 CZ PHE A 872 1.094 2.040 -2.689 1.00 0.00 C ATOM 0 H PHE A 872 -2.810 -3.353 -3.078 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.766 -0.774 -3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -1.290 -2.069 -2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -0.262 -2.463 -3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.010 -0.093 -5.110 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.337 -0.435 -0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.192 2.072 -4.841 1.00 0.00 H new ATOM 0 HE2 PHE A 872 0.845 1.728 -0.573 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.608 2.983 -2.571 1.00 0.00 H new ATOM 620 N VAL A 873 -0.603 -2.110 -5.893 1.00 0.00 N ATOM 621 CA VAL A 873 -0.078 -2.032 -7.241 1.00 0.00 C ATOM 622 C VAL A 873 -1.226 -1.970 -8.238 1.00 0.00 C ATOM 623 O VAL A 873 -1.115 -1.321 -9.276 1.00 0.00 O ATOM 624 CB VAL A 873 0.810 -3.243 -7.512 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.375 -4.402 -6.619 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.678 -3.652 -8.976 1.00 0.00 C ATOM 0 H VAL A 873 -0.047 -2.683 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 873 0.521 -1.128 -7.350 1.00 0.00 H new ATOM 0 HB VAL A 873 1.848 -2.989 -7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 873 1.009 -5.268 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.468 -4.110 -5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.663 -4.657 -6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 873 1.312 -4.517 -9.171 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.360 -3.907 -9.190 1.00 0.00 H new ATOM 0 HG23 VAL A 873 0.987 -2.824 -9.614 1.00 0.00 H new ATOM 636 N ALA A 874 -2.331 -2.648 -7.921 1.00 0.00 N ATOM 637 CA ALA A 874 -3.492 -2.667 -8.789 1.00 0.00 C ATOM 638 C ALA A 874 -4.044 -1.257 -8.943 1.00 0.00 C ATOM 639 O ALA A 874 -4.013 -0.692 -10.034 1.00 0.00 O ATOM 640 CB ALA A 874 -4.548 -3.601 -8.204 1.00 0.00 C ATOM 0 H ALA A 874 -2.438 -3.191 -7.064 1.00 0.00 H new ATOM 0 HA ALA A 874 -3.208 -3.034 -9.775 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.422 -3.616 -8.856 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -4.138 -4.608 -8.123 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -4.839 -3.247 -7.215 1.00 0.00 H new ATOM 646 N PHE A 875 -4.551 -0.689 -7.846 1.00 0.00 N ATOM 647 CA PHE A 875 -5.105 0.649 -7.868 1.00 0.00 C ATOM 648 C PHE A 875 -4.512 1.436 -9.028 1.00 0.00 C ATOM 649 O PHE A 875 -5.239 2.091 -9.772 1.00 0.00 O ATOM 650 CB PHE A 875 -4.813 1.341 -6.540 1.00 0.00 C ATOM 651 CG PHE A 875 -5.420 0.640 -5.348 1.00 0.00 C ATOM 652 CD1 PHE A 875 -4.799 -0.494 -4.811 1.00 0.00 C ATOM 653 CD2 PHE A 875 -6.604 1.125 -4.779 1.00 0.00 C ATOM 654 CE1 PHE A 875 -5.361 -1.143 -3.705 1.00 0.00 C ATOM 655 CE2 PHE A 875 -7.166 0.477 -3.673 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.545 -0.658 -3.136 1.00 0.00 C ATOM 0 H PHE A 875 -4.585 -1.144 -6.934 1.00 0.00 H new ATOM 0 HA PHE A 875 -6.185 0.597 -8.006 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.734 1.405 -6.403 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -5.190 2.363 -6.581 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -3.886 -0.868 -5.250 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -7.084 1.999 -5.194 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -4.881 -2.018 -3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -8.078 0.852 -3.234 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.979 -1.159 -2.283 1.00 0.00 H new ATOM 666 N ASP A 876 -3.188 1.369 -9.182 1.00 0.00 N ATOM 667 CA ASP A 876 -2.506 2.074 -10.248 1.00 0.00 C ATOM 668 C ASP A 876 -1.121 2.499 -9.781 1.00 0.00 C ATOM 669 O ASP A 876 -0.411 3.202 -10.497 1.00 0.00 O ATOM 670 CB ASP A 876 -3.332 3.288 -10.665 1.00 0.00 C ATOM 671 CG ASP A 876 -4.223 2.956 -11.853 1.00 0.00 C ATOM 672 OD1 ASP A 876 -3.846 2.032 -12.605 1.00 0.00 O ATOM 673 OD2 ASP A 876 -5.265 3.634 -11.988 1.00 0.00 O ATOM 0 H ASP A 876 -2.572 0.829 -8.574 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.392 1.416 -11.109 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.945 3.621 -9.827 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.668 4.113 -10.922 1.00 0.00 H new ATOM 678 N GLY A 877 -0.737 2.071 -8.576 1.00 0.00 N ATOM 679 CA GLY A 877 0.560 2.412 -8.025 1.00 0.00 C ATOM 680 C GLY A 877 1.587 1.353 -8.400 1.00 0.00 C ATOM 681 O GLY A 877 1.547 0.807 -9.500 1.00 0.00 O ATOM 0 H GLY A 877 -1.313 1.487 -7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 877 0.878 3.385 -8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.492 2.495 -6.940 1.00 0.00 H new ATOM 685 N ASP A 878 2.511 1.064 -7.480 1.00 0.00 N ATOM 686 CA ASP A 878 3.543 0.075 -7.718 1.00 0.00 C ATOM 687 C ASP A 878 4.164 -0.349 -6.395 1.00 0.00 C ATOM 688 O ASP A 878 4.180 0.423 -5.439 1.00 0.00 O ATOM 689 CB ASP A 878 4.601 0.660 -8.649 1.00 0.00 C ATOM 690 CG ASP A 878 4.123 1.968 -9.263 1.00 0.00 C ATOM 691 OD1 ASP A 878 3.152 1.906 -10.048 1.00 0.00 O ATOM 692 OD2 ASP A 878 4.737 3.006 -8.935 1.00 0.00 O ATOM 0 H ASP A 878 2.558 1.508 -6.563 1.00 0.00 H new ATOM 0 HA ASP A 878 3.108 -0.805 -8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 878 5.524 0.830 -8.095 1.00 0.00 H new ATOM 0 HB3 ASP A 878 4.830 -0.055 -9.439 1.00 0.00 H new ATOM 697 N LEU A 879 4.676 -1.581 -6.341 1.00 0.00 N ATOM 698 CA LEU A 879 5.294 -2.101 -5.138 1.00 0.00 C ATOM 699 C LEU A 879 6.677 -2.646 -5.462 1.00 0.00 C ATOM 700 O LEU A 879 6.827 -3.469 -6.363 1.00 0.00 O ATOM 701 CB LEU A 879 4.408 -3.192 -4.543 1.00 0.00 C ATOM 702 CG LEU A 879 2.955 -2.729 -4.552 1.00 0.00 C ATOM 703 CD1 LEU A 879 2.143 -3.579 -3.579 1.00 0.00 C ATOM 704 CD2 LEU A 879 2.885 -1.264 -4.128 1.00 0.00 C ATOM 0 H LEU A 879 4.670 -2.233 -7.125 1.00 0.00 H new ATOM 0 HA LEU A 879 5.404 -1.301 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 879 4.511 -4.112 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 879 4.723 -3.416 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 879 2.546 -2.837 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 879 1.105 -3.248 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 879 2.192 -4.625 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.551 -3.472 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 879 1.847 -0.933 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 879 3.294 -1.156 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 879 3.464 -0.656 -4.823 1.00 0.00 H new ATOM 716 N VAL A 880 7.690 -2.186 -4.723 1.00 0.00 N ATOM 717 CA VAL A 880 9.053 -2.628 -4.934 1.00 0.00 C ATOM 718 C VAL A 880 9.436 -3.644 -3.868 1.00 0.00 C ATOM 719 O VAL A 880 9.095 -3.477 -2.699 1.00 0.00 O ATOM 720 CB VAL A 880 9.990 -1.424 -4.896 1.00 0.00 C ATOM 721 CG1 VAL A 880 10.928 -1.470 -6.098 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.167 -0.139 -4.940 1.00 0.00 C ATOM 0 H VAL A 880 7.581 -1.504 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 880 9.137 -3.106 -5.910 1.00 0.00 H new ATOM 0 HB VAL A 880 10.577 -1.449 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.597 -0.610 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.515 -2.388 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.343 -1.445 -7.017 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.835 0.722 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.580 -0.114 -5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.498 -0.106 -4.080 1.00 0.00 H new ATOM 732 N GLN A 881 10.146 -4.699 -4.273 1.00 0.00 N ATOM 733 CA GLN A 881 10.570 -5.735 -3.351 1.00 0.00 C ATOM 734 C GLN A 881 11.553 -5.158 -2.342 1.00 0.00 C ATOM 735 O GLN A 881 12.500 -4.470 -2.718 1.00 0.00 O ATOM 736 CB GLN A 881 11.207 -6.880 -4.133 1.00 0.00 C ATOM 737 CG GLN A 881 10.274 -7.307 -5.263 1.00 0.00 C ATOM 738 CD GLN A 881 11.032 -7.426 -6.577 1.00 0.00 C ATOM 739 OE1 GLN A 881 11.122 -6.462 -7.334 1.00 0.00 O ATOM 740 NE2 GLN A 881 11.578 -8.615 -6.847 1.00 0.00 N ATOM 0 H GLN A 881 10.436 -4.852 -5.239 1.00 0.00 H new ATOM 0 HA GLN A 881 9.707 -6.119 -2.807 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.168 -6.566 -4.540 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.402 -7.723 -3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 881 9.812 -8.263 -5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 881 9.468 -6.581 -5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 881 11.476 -9.385 -6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 881 12.097 -8.753 -7.714 1.00 0.00 H new ATOM 749 N GLU A 882 11.327 -5.439 -1.057 1.00 0.00 N ATOM 750 CA GLU A 882 12.194 -4.948 -0.005 1.00 0.00 C ATOM 751 C GLU A 882 13.595 -4.715 -0.554 1.00 0.00 C ATOM 752 O GLU A 882 14.035 -3.573 -0.672 1.00 0.00 O ATOM 753 CB GLU A 882 12.223 -5.956 1.140 1.00 0.00 C ATOM 754 CG GLU A 882 13.119 -5.430 2.258 1.00 0.00 C ATOM 755 CD GLU A 882 13.753 -6.578 3.031 1.00 0.00 C ATOM 756 OE1 GLU A 882 13.981 -7.631 2.398 1.00 0.00 O ATOM 757 OE2 GLU A 882 13.998 -6.380 4.241 1.00 0.00 O ATOM 0 H GLU A 882 10.546 -6.007 -0.728 1.00 0.00 H new ATOM 0 HA GLU A 882 11.812 -3.999 0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.214 -6.124 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.594 -6.917 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 882 13.899 -4.796 1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.534 -4.809 2.936 1.00 0.00 H new ATOM 764 N PHE A 883 14.295 -5.801 -0.889 1.00 0.00 N ATOM 765 CA PHE A 883 15.639 -5.707 -1.423 1.00 0.00 C ATOM 766 C PHE A 883 15.608 -5.019 -2.781 1.00 0.00 C ATOM 767 O PHE A 883 16.564 -5.112 -3.548 1.00 0.00 O ATOM 768 CB PHE A 883 16.237 -7.106 -1.539 1.00 0.00 C ATOM 769 CG PHE A 883 15.615 -7.939 -2.635 1.00 0.00 C ATOM 770 CD1 PHE A 883 14.496 -8.733 -2.361 1.00 0.00 C ATOM 771 CD2 PHE A 883 16.157 -7.914 -3.925 1.00 0.00 C ATOM 772 CE1 PHE A 883 13.918 -9.504 -3.377 1.00 0.00 C ATOM 773 CE2 PHE A 883 15.580 -8.685 -4.942 1.00 0.00 C ATOM 774 CZ PHE A 883 14.461 -9.479 -4.668 1.00 0.00 C ATOM 0 H PHE A 883 13.945 -6.754 -0.796 1.00 0.00 H new ATOM 0 HA PHE A 883 16.261 -5.114 -0.752 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.308 -7.020 -1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.117 -7.624 -0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 883 14.078 -8.751 -1.365 1.00 0.00 H new ATOM 0 HD2 PHE A 883 17.020 -7.300 -4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 883 13.055 -10.117 -3.165 1.00 0.00 H new ATOM 0 HE2 PHE A 883 15.999 -8.667 -5.937 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.016 -10.073 -5.452 1.00 0.00 H new ATOM 784 N ASP A 884 14.506 -4.325 -3.076 1.00 0.00 N ATOM 785 CA ASP A 884 14.358 -3.627 -4.337 1.00 0.00 C ATOM 786 C ASP A 884 13.485 -2.395 -4.143 1.00 0.00 C ATOM 787 O ASP A 884 12.260 -2.493 -4.147 1.00 0.00 O ATOM 788 CB ASP A 884 13.743 -4.568 -5.369 1.00 0.00 C ATOM 789 CG ASP A 884 14.690 -5.717 -5.688 1.00 0.00 C ATOM 790 OD1 ASP A 884 15.915 -5.479 -5.618 1.00 0.00 O ATOM 791 OD2 ASP A 884 14.170 -6.811 -5.996 1.00 0.00 O ATOM 0 H ASP A 884 13.705 -4.237 -2.450 1.00 0.00 H new ATOM 0 HA ASP A 884 15.335 -3.304 -4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 884 12.800 -4.963 -4.991 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.515 -4.016 -6.281 1.00 0.00 H new ATOM 796 N MET A 885 14.119 -1.232 -3.973 1.00 0.00 N ATOM 797 CA MET A 885 13.396 0.009 -3.777 1.00 0.00 C ATOM 798 C MET A 885 14.191 1.169 -4.357 1.00 0.00 C ATOM 799 O MET A 885 13.616 2.112 -4.897 1.00 0.00 O ATOM 800 CB MET A 885 13.143 0.219 -2.287 1.00 0.00 C ATOM 801 CG MET A 885 14.172 -0.567 -1.480 1.00 0.00 C ATOM 802 SD MET A 885 13.708 -0.825 0.250 1.00 0.00 S ATOM 803 CE MET A 885 12.354 -2.003 0.015 1.00 0.00 C ATOM 0 H MET A 885 15.134 -1.133 -3.969 1.00 0.00 H new ATOM 0 HA MET A 885 12.437 -0.040 -4.293 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.206 1.279 -2.043 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.136 -0.108 -2.029 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.326 -1.537 -1.953 1.00 0.00 H new ATOM 0 HG3 MET A 885 15.126 -0.040 -1.515 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.348 -2.719 0.837 1.00 0.00 H new ATOM 0 HE2 MET A 885 11.405 -1.467 -0.006 1.00 0.00 H new ATOM 0 HE3 MET A 885 12.492 -2.533 -0.927 1.00 0.00 H new ATOM 813 N THR A 886 15.520 1.099 -4.246 1.00 0.00 N ATOM 814 CA THR A 886 16.383 2.142 -4.761 1.00 0.00 C ATOM 815 C THR A 886 15.586 3.080 -5.657 1.00 0.00 C ATOM 816 O THR A 886 15.602 4.293 -5.461 1.00 0.00 O ATOM 817 CB THR A 886 17.539 1.511 -5.532 1.00 0.00 C ATOM 818 OG1 THR A 886 17.082 1.078 -6.793 1.00 0.00 O ATOM 819 CG2 THR A 886 18.080 0.317 -4.750 1.00 0.00 C ATOM 0 H THR A 886 16.014 0.325 -3.801 1.00 0.00 H new ATOM 0 HA THR A 886 16.789 2.723 -3.933 1.00 0.00 H new ATOM 0 HB THR A 886 18.331 2.247 -5.666 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.825 0.674 -7.289 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.906 -0.134 -5.300 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.433 0.651 -3.774 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.288 -0.420 -4.616 1.00 0.00 H new ATOM 827 N SER A 887 14.887 2.513 -6.643 1.00 0.00 N ATOM 828 CA SER A 887 14.088 3.299 -7.561 1.00 0.00 C ATOM 829 C SER A 887 12.652 3.375 -7.062 1.00 0.00 C ATOM 830 O SER A 887 11.857 4.162 -7.571 1.00 0.00 O ATOM 831 CB SER A 887 14.145 2.670 -8.950 1.00 0.00 C ATOM 832 OG SER A 887 15.036 3.403 -9.761 1.00 0.00 O ATOM 0 H SER A 887 14.864 1.509 -6.819 1.00 0.00 H new ATOM 0 HA SER A 887 14.485 4.312 -7.618 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.471 1.632 -8.878 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.151 2.661 -9.398 1.00 0.00 H new ATOM 0 HG SER A 887 15.075 2.999 -10.653 1.00 0.00 H new ATOM 838 N ALA A 888 12.323 2.555 -6.062 1.00 0.00 N ATOM 839 CA ALA A 888 10.987 2.532 -5.500 1.00 0.00 C ATOM 840 C ALA A 888 10.579 3.939 -5.086 1.00 0.00 C ATOM 841 O ALA A 888 11.018 4.917 -5.687 1.00 0.00 O ATOM 842 CB ALA A 888 10.956 1.586 -4.303 1.00 0.00 C ATOM 0 H ALA A 888 12.972 1.898 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 888 10.279 2.174 -6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 888 9.952 1.568 -3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.232 0.582 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.662 1.931 -3.548 1.00 0.00 H new ATOM 848 N THR A 889 9.735 4.040 -4.056 1.00 0.00 N ATOM 849 CA THR A 889 9.276 5.326 -3.572 1.00 0.00 C ATOM 850 C THR A 889 8.539 5.150 -2.252 1.00 0.00 C ATOM 851 O THR A 889 8.676 5.970 -1.347 1.00 0.00 O ATOM 852 CB THR A 889 8.367 5.967 -4.617 1.00 0.00 C ATOM 853 OG1 THR A 889 8.568 7.363 -4.622 1.00 0.00 O ATOM 854 CG2 THR A 889 6.910 5.664 -4.279 1.00 0.00 C ATOM 0 H THR A 889 9.360 3.240 -3.546 1.00 0.00 H new ATOM 0 HA THR A 889 10.131 5.980 -3.402 1.00 0.00 H new ATOM 0 HB THR A 889 8.603 5.562 -5.601 1.00 0.00 H new ATOM 0 HG1 THR A 889 7.986 7.775 -5.294 1.00 0.00 H new ATOM 0 HG21 THR A 889 6.261 6.122 -5.025 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.754 4.585 -4.275 1.00 0.00 H new ATOM 0 HG23 THR A 889 6.673 6.068 -3.295 1.00 0.00 H new ATOM 862 N HIS A 890 7.754 4.075 -2.143 1.00 0.00 N ATOM 863 CA HIS A 890 7.000 3.802 -0.935 1.00 0.00 C ATOM 864 C HIS A 890 7.457 2.484 -0.325 1.00 0.00 C ATOM 865 O HIS A 890 7.820 1.557 -1.045 1.00 0.00 O ATOM 866 CB HIS A 890 5.511 3.757 -1.266 1.00 0.00 C ATOM 867 CG HIS A 890 4.893 5.125 -1.345 1.00 0.00 C ATOM 868 ND1 HIS A 890 4.740 5.882 -2.485 1.00 0.00 N ATOM 869 CD2 HIS A 890 4.381 5.842 -0.297 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.146 7.034 -2.123 1.00 0.00 C ATOM 871 NE2 HIS A 890 3.907 7.056 -0.801 1.00 0.00 N ATOM 0 H HIS A 890 7.630 3.384 -2.883 1.00 0.00 H new ATOM 0 HA HIS A 890 7.174 4.594 -0.207 1.00 0.00 H new ATOM 0 HB2 HIS A 890 5.370 3.243 -2.217 1.00 0.00 H new ATOM 0 HB3 HIS A 890 4.992 3.171 -0.507 1.00 0.00 H new ATOM 0 HD2 HIS A 890 4.349 5.526 0.735 1.00 0.00 H new ATOM 0 HE1 HIS A 890 3.895 7.834 -2.804 1.00 0.00 H new ATOM 0 HE2 HIS A 890 3.467 7.809 -0.271 1.00 0.00 H new ATOM 879 N VAL A 891 7.439 2.404 1.008 1.00 0.00 N ATOM 880 CA VAL A 891 7.850 1.204 1.708 1.00 0.00 C ATOM 881 C VAL A 891 7.003 1.022 2.959 1.00 0.00 C ATOM 882 O VAL A 891 6.978 1.893 3.826 1.00 0.00 O ATOM 883 CB VAL A 891 9.329 1.307 2.066 1.00 0.00 C ATOM 884 CG1 VAL A 891 10.164 1.303 0.788 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.578 2.603 2.832 1.00 0.00 C ATOM 0 H VAL A 891 7.141 3.165 1.619 1.00 0.00 H new ATOM 0 HA VAL A 891 7.705 0.335 1.066 1.00 0.00 H new ATOM 0 HB VAL A 891 9.612 0.457 2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.221 1.377 1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 891 9.987 0.377 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 891 9.881 2.152 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.635 2.677 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.295 3.453 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.982 2.606 3.745 1.00 0.00 H new ATOM 895 N LEU A 892 6.307 -0.114 3.052 1.00 0.00 N ATOM 896 CA LEU A 892 5.465 -0.404 4.195 1.00 0.00 C ATOM 897 C LEU A 892 6.327 -0.784 5.390 1.00 0.00 C ATOM 898 O LEU A 892 7.113 -1.727 5.316 1.00 0.00 O ATOM 899 CB LEU A 892 4.502 -1.534 3.842 1.00 0.00 C ATOM 900 CG LEU A 892 3.086 -1.142 4.255 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.126 -1.413 3.100 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.665 -1.964 5.470 1.00 0.00 C ATOM 0 H LEU A 892 6.316 -0.845 2.341 1.00 0.00 H new ATOM 0 HA LEU A 892 4.886 0.481 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.538 -1.736 2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.800 -2.452 4.349 1.00 0.00 H new ATOM 0 HG LEU A 892 3.061 -0.082 4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 892 1.114 -1.133 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.427 -0.827 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 892 2.150 -2.473 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.654 -1.685 5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.690 -3.024 5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.351 -1.771 6.295 1.00 0.00 H new ATOM 914 N GLY A 893 6.181 -0.048 6.494 1.00 0.00 N ATOM 915 CA GLY A 893 6.947 -0.315 7.694 1.00 0.00 C ATOM 916 C GLY A 893 8.424 -0.462 7.355 1.00 0.00 C ATOM 917 O GLY A 893 8.814 -1.397 6.659 1.00 0.00 O ATOM 0 H GLY A 893 5.535 0.738 6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.810 0.496 8.409 1.00 0.00 H new ATOM 0 HA3 GLY A 893 6.584 -1.225 8.171 1.00 0.00 H new ATOM 921 N SER A 894 9.246 0.467 7.848 1.00 0.00 N ATOM 922 CA SER A 894 10.673 0.435 7.596 1.00 0.00 C ATOM 923 C SER A 894 10.979 1.123 6.273 1.00 0.00 C ATOM 924 O SER A 894 10.082 1.339 5.461 1.00 0.00 O ATOM 925 CB SER A 894 11.153 -1.013 7.577 1.00 0.00 C ATOM 926 OG SER A 894 10.844 -1.627 8.808 1.00 0.00 O ATOM 0 H SER A 894 8.938 1.250 8.425 1.00 0.00 H new ATOM 0 HA SER A 894 11.198 0.967 8.389 1.00 0.00 H new ATOM 0 HB2 SER A 894 10.677 -1.554 6.759 1.00 0.00 H new ATOM 0 HB3 SER A 894 12.228 -1.049 7.400 1.00 0.00 H new ATOM 0 HG SER A 894 11.151 -2.558 8.795 1.00 0.00 H new ATOM 932 N ARG A 895 12.251 1.466 6.057 1.00 0.00 N ATOM 933 CA ARG A 895 12.669 2.126 4.837 1.00 0.00 C ATOM 934 C ARG A 895 14.057 1.644 4.440 1.00 0.00 C ATOM 935 O ARG A 895 14.373 1.566 3.254 1.00 0.00 O ATOM 936 CB ARG A 895 12.663 3.637 5.049 1.00 0.00 C ATOM 937 CG ARG A 895 13.436 3.975 6.320 1.00 0.00 C ATOM 938 CD ARG A 895 13.881 5.435 6.272 1.00 0.00 C ATOM 939 NE ARG A 895 15.314 5.556 6.540 1.00 0.00 N ATOM 940 CZ ARG A 895 15.928 6.739 6.684 1.00 0.00 C ATOM 941 NH1 ARG A 895 15.225 7.875 6.583 1.00 0.00 N ATOM 942 NH2 ARG A 895 17.245 6.785 6.927 1.00 0.00 N ATOM 0 H ARG A 895 13.006 1.293 6.720 1.00 0.00 H new ATOM 0 HA ARG A 895 11.976 1.882 4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 895 13.114 4.137 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.638 4.000 5.126 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.810 3.803 7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 895 14.304 3.322 6.415 1.00 0.00 H new ATOM 0 HD2 ARG A 895 13.654 5.856 5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 895 13.320 6.014 7.006 1.00 0.00 H new ATOM 0 HE ARG A 895 15.869 4.704 6.621 1.00 0.00 H new ATOM 0 HH11 ARG A 895 14.223 7.840 6.397 1.00 0.00 H new ATOM 0 HH12 ARG A 895 15.692 8.775 6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 895 17.780 5.920 7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 895 17.712 7.685 7.037 1.00 0.00 H new ATOM 956 N ASP A 896 14.886 1.318 5.434 1.00 0.00 N ATOM 957 CA ASP A 896 16.233 0.846 5.183 1.00 0.00 C ATOM 958 C ASP A 896 16.382 0.471 3.716 1.00 0.00 C ATOM 959 O ASP A 896 16.982 1.212 2.942 1.00 0.00 O ATOM 960 CB ASP A 896 16.527 -0.352 6.081 1.00 0.00 C ATOM 961 CG ASP A 896 17.697 -1.161 5.542 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.425 -0.608 4.689 1.00 0.00 O ATOM 963 OD2 ASP A 896 17.843 -2.318 5.993 1.00 0.00 O ATOM 0 H ASP A 896 14.639 1.376 6.422 1.00 0.00 H new ATOM 0 HA ASP A 896 16.948 1.637 5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.752 -0.008 7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.643 -0.986 6.150 1.00 0.00 H new ATOM 968 N LYS A 897 15.833 -0.685 3.335 1.00 0.00 N ATOM 969 CA LYS A 897 15.909 -1.151 1.965 1.00 0.00 C ATOM 970 C LYS A 897 15.890 0.037 1.012 1.00 0.00 C ATOM 971 O LYS A 897 16.524 0.002 -0.040 1.00 0.00 O ATOM 972 CB LYS A 897 14.740 -2.089 1.681 1.00 0.00 C ATOM 973 CG LYS A 897 13.802 -2.110 2.885 1.00 0.00 C ATOM 974 CD LYS A 897 12.893 -0.885 2.844 1.00 0.00 C ATOM 975 CE LYS A 897 12.296 -0.648 4.228 1.00 0.00 C ATOM 976 NZ LYS A 897 10.934 -0.099 4.128 1.00 0.00 N ATOM 0 H LYS A 897 15.331 -1.311 3.965 1.00 0.00 H new ATOM 0 HA LYS A 897 16.841 -1.696 1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.202 -1.758 0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 897 15.108 -3.094 1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.203 -3.021 2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.380 -2.117 3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.459 -0.010 2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 897 12.098 -1.033 2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.274 -1.585 4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.929 0.040 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.370 -0.418 4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.978 0.940 4.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.490 -0.430 3.248 1.00 0.00 H new ATOM 990 N ASN A 898 15.159 1.090 1.385 1.00 0.00 N ATOM 991 CA ASN A 898 15.062 2.280 0.563 1.00 0.00 C ATOM 992 C ASN A 898 14.618 3.462 1.413 1.00 0.00 C ATOM 993 O ASN A 898 13.427 3.643 1.656 1.00 0.00 O ATOM 994 CB ASN A 898 14.076 2.032 -0.575 1.00 0.00 C ATOM 995 CG ASN A 898 14.654 2.494 -1.905 1.00 0.00 C ATOM 996 OD1 ASN A 898 15.833 2.282 -2.178 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.819 3.126 -2.733 1.00 0.00 N ATOM 0 H ASN A 898 14.628 1.135 2.254 1.00 0.00 H new ATOM 0 HA ASN A 898 16.038 2.512 0.137 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.835 0.970 -0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 898 13.144 2.561 -0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 898 14.152 3.457 -3.639 1.00 0.00 H new ATOM 0 HD22 ASN A 898 12.848 3.278 -2.460 1.00 0.00 H new ATOM 1004 N PRO A 899 15.581 4.269 1.864 1.00 0.00 N ATOM 1005 CA PRO A 899 15.348 5.440 2.682 1.00 0.00 C ATOM 1006 C PRO A 899 14.726 6.540 1.833 1.00 0.00 C ATOM 1007 O PRO A 899 14.279 7.556 2.360 1.00 0.00 O ATOM 1008 CB PRO A 899 16.731 5.851 3.182 1.00 0.00 C ATOM 1009 CG PRO A 899 17.650 5.387 2.053 1.00 0.00 C ATOM 1010 CD PRO A 899 16.991 4.087 1.597 1.00 0.00 C ATOM 0 HA PRO A 899 14.664 5.250 3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.800 6.927 3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.978 5.370 4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.703 6.119 1.247 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.670 5.223 2.402 1.00 0.00 H new ATOM 0 HD2 PRO A 899 17.172 3.903 0.538 1.00 0.00 H new ATOM 0 HD3 PRO A 899 17.389 3.231 2.142 1.00 0.00 H new ATOM 1018 N ALA A 900 14.700 6.335 0.514 1.00 0.00 N ATOM 1019 CA ALA A 900 14.137 7.309 -0.400 1.00 0.00 C ATOM 1020 C ALA A 900 12.657 7.023 -0.610 1.00 0.00 C ATOM 1021 O ALA A 900 11.967 7.782 -1.287 1.00 0.00 O ATOM 1022 CB ALA A 900 14.892 7.258 -1.725 1.00 0.00 C ATOM 0 H ALA A 900 15.066 5.497 0.062 1.00 0.00 H new ATOM 0 HA ALA A 900 14.237 8.309 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 900 14.469 7.990 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.944 7.486 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.803 6.261 -2.156 1.00 0.00 H new ATOM 1028 N ALA A 901 12.171 5.924 -0.029 1.00 0.00 N ATOM 1029 CA ALA A 901 10.779 5.543 -0.156 1.00 0.00 C ATOM 1030 C ALA A 901 9.976 6.135 0.993 1.00 0.00 C ATOM 1031 O ALA A 901 10.500 6.921 1.779 1.00 0.00 O ATOM 1032 CB ALA A 901 10.668 4.022 -0.167 1.00 0.00 C ATOM 0 H ALA A 901 12.731 5.285 0.535 1.00 0.00 H new ATOM 0 HA ALA A 901 10.375 5.930 -1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.621 3.734 -0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 901 11.233 3.622 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 901 11.071 3.621 0.763 1.00 0.00 H new ATOM 1038 N GLN A 902 8.699 5.757 1.088 1.00 0.00 N ATOM 1039 CA GLN A 902 7.831 6.252 2.138 1.00 0.00 C ATOM 1040 C GLN A 902 7.640 5.179 3.199 1.00 0.00 C ATOM 1041 O GLN A 902 7.405 4.017 2.875 1.00 0.00 O ATOM 1042 CB GLN A 902 6.490 6.663 1.535 1.00 0.00 C ATOM 1043 CG GLN A 902 6.409 8.185 1.462 1.00 0.00 C ATOM 1044 CD GLN A 902 6.905 8.818 2.754 1.00 0.00 C ATOM 1045 OE1 GLN A 902 7.442 9.923 2.740 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.726 8.112 3.874 1.00 0.00 N ATOM 0 H GLN A 902 8.250 5.107 0.443 1.00 0.00 H new ATOM 0 HA GLN A 902 8.285 7.123 2.610 1.00 0.00 H new ATOM 0 HB2 GLN A 902 6.381 6.234 0.539 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.672 6.273 2.141 1.00 0.00 H new ATOM 0 HG2 GLN A 902 7.005 8.545 0.624 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.379 8.490 1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 902 6.274 7.198 3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 902 7.041 8.487 4.769 1.00 0.00 H new ATOM 1055 N GLN A 903 7.741 5.571 4.472 1.00 0.00 N ATOM 1056 CA GLN A 903 7.579 4.642 5.572 1.00 0.00 C ATOM 1057 C GLN A 903 6.130 4.641 6.039 1.00 0.00 C ATOM 1058 O GLN A 903 5.826 5.124 7.127 1.00 0.00 O ATOM 1059 CB GLN A 903 8.514 5.038 6.711 1.00 0.00 C ATOM 1060 CG GLN A 903 9.902 4.458 6.457 1.00 0.00 C ATOM 1061 CD GLN A 903 10.972 5.533 6.589 1.00 0.00 C ATOM 1062 OE1 GLN A 903 11.499 5.756 7.676 1.00 0.00 O ATOM 1063 NE2 GLN A 903 11.291 6.199 5.477 1.00 0.00 N ATOM 0 H GLN A 903 7.935 6.531 4.758 1.00 0.00 H new ATOM 0 HA GLN A 903 7.833 3.634 5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 903 8.571 6.124 6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 903 8.123 4.671 7.660 1.00 0.00 H new ATOM 0 HG2 GLN A 903 10.100 3.654 7.165 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.941 4.021 5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 903 10.824 5.977 4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 903 12.001 6.930 5.507 1.00 0.00 H new ATOM 1072 N VAL A 904 5.236 4.094 5.212 1.00 0.00 N ATOM 1073 CA VAL A 904 3.826 4.032 5.542 1.00 0.00 C ATOM 1074 C VAL A 904 3.539 2.767 6.338 1.00 0.00 C ATOM 1075 O VAL A 904 4.409 1.911 6.480 1.00 0.00 O ATOM 1076 CB VAL A 904 3.002 4.064 4.259 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.908 4.404 3.080 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.364 2.696 4.031 1.00 0.00 C ATOM 0 H VAL A 904 5.474 3.688 4.307 1.00 0.00 H new ATOM 0 HA VAL A 904 3.553 4.892 6.154 1.00 0.00 H new ATOM 0 HB VAL A 904 2.222 4.820 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.319 4.427 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.365 5.380 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.688 3.648 2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.775 2.718 3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 904 3.145 1.941 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.716 2.452 4.873 1.00 0.00 H new ATOM 1088 N SER A 905 2.315 2.651 6.856 1.00 0.00 N ATOM 1089 CA SER A 905 1.921 1.492 7.632 1.00 0.00 C ATOM 1090 C SER A 905 0.686 0.851 7.013 1.00 0.00 C ATOM 1091 O SER A 905 0.275 1.222 5.916 1.00 0.00 O ATOM 1092 CB SER A 905 1.647 1.913 9.072 1.00 0.00 C ATOM 1093 OG SER A 905 2.331 1.051 9.953 1.00 0.00 O ATOM 0 H SER A 905 1.583 3.353 6.747 1.00 0.00 H new ATOM 0 HA SER A 905 2.727 0.758 7.629 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.971 2.942 9.229 1.00 0.00 H new ATOM 0 HB3 SER A 905 0.576 1.881 9.274 1.00 0.00 H new ATOM 0 HG SER A 905 2.156 1.323 10.878 1.00 0.00 H new ATOM 1099 N PRO A 906 0.095 -0.114 7.721 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.087 -0.831 7.294 1.00 0.00 C ATOM 1101 C PRO A 906 -2.301 0.082 7.390 1.00 0.00 C ATOM 1102 O PRO A 906 -3.258 -0.073 6.634 1.00 0.00 O ATOM 1103 CB PRO A 906 -1.206 -2.004 8.265 1.00 0.00 C ATOM 1104 CG PRO A 906 -0.584 -1.447 9.545 1.00 0.00 C ATOM 1105 CD PRO A 906 0.551 -0.575 9.014 1.00 0.00 C ATOM 0 HA PRO A 906 -1.026 -1.172 6.260 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -2.244 -2.301 8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -0.672 -2.883 7.905 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -1.302 -0.868 10.125 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -0.215 -2.241 10.195 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.752 0.262 9.683 1.00 0.00 H new ATOM 0 HD3 PRO A 906 1.477 -1.143 8.926 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.262 1.035 8.324 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.358 1.963 8.512 1.00 0.00 C ATOM 1115 C GLU A 907 -3.379 2.979 7.378 1.00 0.00 C ATOM 1116 O GLU A 907 -4.419 3.565 7.085 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.206 2.662 9.860 1.00 0.00 C ATOM 1118 CG GLU A 907 -3.481 1.666 10.983 1.00 0.00 C ATOM 1119 CD GLU A 907 -2.607 1.959 12.195 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -1.412 2.251 11.975 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -3.152 1.886 13.318 1.00 0.00 O ATOM 0 H GLU A 907 -1.477 1.177 8.959 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.303 1.420 8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.200 3.069 9.959 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -3.898 3.502 9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -4.532 1.714 11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -3.292 0.652 10.630 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.226 3.185 6.738 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.122 4.126 5.641 1.00 0.00 C ATOM 1130 C TRP A 908 -3.002 3.672 4.485 1.00 0.00 C ATOM 1131 O TRP A 908 -3.866 4.418 4.029 1.00 0.00 O ATOM 1132 CB TRP A 908 -0.665 4.234 5.201 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.412 5.203 4.090 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.356 6.546 4.224 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.182 4.933 2.674 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.107 7.122 2.996 1.00 0.00 N ATOM 1137 CE2 TRP A 908 0.009 6.171 2.003 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.114 3.769 1.887 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 0.253 6.251 0.629 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 0.130 3.838 0.508 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.314 5.074 -0.123 1.00 0.00 C ATOM 0 H TRP A 908 -1.354 2.708 6.967 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.464 5.108 5.967 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.062 4.524 6.061 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.321 3.248 4.889 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.486 7.086 5.150 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.019 8.126 2.841 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.252 2.805 2.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.393 7.211 0.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 0.176 2.929 -0.073 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.502 5.118 -1.186 1.00 0.00 H new ATOM 1152 N ILE A 909 -2.780 2.443 4.011 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.551 1.894 2.914 1.00 0.00 C ATOM 1154 C ILE A 909 -5.032 2.160 3.141 1.00 0.00 C ATOM 1155 O ILE A 909 -5.685 2.793 2.315 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.281 0.396 2.803 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -2.068 0.162 1.906 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.500 -0.297 2.202 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -1.050 -0.704 2.642 1.00 0.00 C ATOM 0 H ILE A 909 -2.066 1.813 4.378 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.255 2.373 1.981 1.00 0.00 H new ATOM 0 HB ILE A 909 -3.083 -0.012 3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.375 -0.326 0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.618 1.115 1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.308 -1.367 2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.366 -0.131 2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.698 0.111 1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.184 -0.871 2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.734 -0.198 3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.503 -1.662 2.896 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.563 1.676 4.266 1.00 0.00 N ATOM 1172 CA TRP A 910 -6.962 1.868 4.592 1.00 0.00 C ATOM 1173 C TRP A 910 -7.340 3.331 4.411 1.00 0.00 C ATOM 1174 O TRP A 910 -8.139 3.665 3.539 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.215 1.418 6.028 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.802 0.013 6.329 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -6.047 -0.370 7.383 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -7.103 -1.210 5.590 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.862 -1.735 7.346 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.492 -2.305 6.259 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.829 -1.505 4.422 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -6.596 -3.620 5.797 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.938 -2.821 3.950 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -7.325 -3.878 4.632 1.00 0.00 C ATOM 0 H TRP A 910 -5.037 1.148 4.963 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.580 1.269 3.923 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -6.684 2.090 6.703 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.278 1.523 6.244 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -5.650 0.292 8.138 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -5.325 -2.259 8.037 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -8.310 -0.705 3.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -6.119 -4.427 6.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -8.501 -3.021 3.050 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -7.415 -4.888 4.260 1.00 0.00 H new ATOM 1195 N ALA A 911 -6.763 4.205 5.240 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.041 5.625 5.169 1.00 0.00 C ATOM 1197 C ALA A 911 -6.895 6.108 3.733 1.00 0.00 C ATOM 1198 O ALA A 911 -7.767 6.804 3.218 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.087 6.376 6.092 1.00 0.00 C ATOM 0 H ALA A 911 -6.099 3.943 5.968 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.064 5.816 5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.295 7.445 6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.224 6.030 7.116 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.059 6.191 5.781 1.00 0.00 H new ATOM 1205 N CYS A 912 -5.787 5.735 3.087 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.528 6.128 1.717 1.00 0.00 C ATOM 1207 C CYS A 912 -6.474 5.383 0.785 1.00 0.00 C ATOM 1208 O CYS A 912 -6.848 5.902 -0.265 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.074 5.824 1.367 1.00 0.00 C ATOM 1210 SG CYS A 912 -3.017 6.424 2.709 1.00 0.00 S ATOM 0 H CYS A 912 -5.056 5.157 3.502 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.698 7.198 1.601 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -3.935 4.752 1.227 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -3.803 6.306 0.428 1.00 0.00 H new ATOM 0 HG CYS A 912 -1.823 5.927 2.576 1.00 0.00 H new ATOM 1216 N ILE A 913 -6.862 4.166 1.172 1.00 0.00 N ATOM 1217 CA ILE A 913 -7.762 3.359 0.373 1.00 0.00 C ATOM 1218 C ILE A 913 -9.064 4.113 0.144 1.00 0.00 C ATOM 1219 O ILE A 913 -9.439 4.375 -0.997 1.00 0.00 O ATOM 1220 CB ILE A 913 -8.022 2.033 1.083 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -6.742 1.202 1.093 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -9.119 1.269 0.347 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -7.074 -0.238 1.476 1.00 0.00 C ATOM 0 H ILE A 913 -6.560 3.723 2.040 1.00 0.00 H new ATOM 0 HA ILE A 913 -7.309 3.153 -0.597 1.00 0.00 H new ATOM 0 HB ILE A 913 -8.338 2.225 2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -6.270 1.229 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -6.028 1.623 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -9.305 0.322 0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -10.033 1.862 0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -8.803 1.076 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -6.160 -0.832 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -7.526 -0.256 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -7.773 -0.656 0.751 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.754 4.461 1.232 1.00 0.00 N ATOM 1236 CA ARG A 914 -11.009 5.181 1.145 1.00 0.00 C ATOM 1237 C ARG A 914 -10.762 6.583 0.607 1.00 0.00 C ATOM 1238 O ARG A 914 -11.486 7.050 -0.270 1.00 0.00 O ATOM 1239 CB ARG A 914 -11.658 5.238 2.525 1.00 0.00 C ATOM 1240 CG ARG A 914 -13.169 5.080 2.383 1.00 0.00 C ATOM 1241 CD ARG A 914 -13.800 6.442 2.106 1.00 0.00 C ATOM 1242 NE ARG A 914 -14.390 7.004 3.321 1.00 0.00 N ATOM 1243 CZ ARG A 914 -15.369 6.393 4.002 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -15.847 5.216 3.577 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -15.870 6.960 5.109 1.00 0.00 N ATOM 0 H ARG A 914 -9.456 4.251 2.185 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.683 4.664 0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -11.257 4.448 3.160 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -11.425 6.186 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -13.398 4.389 1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -13.588 4.652 3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -13.045 7.124 1.715 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -14.567 6.342 1.338 1.00 0.00 H new ATOM 0 HE ARG A 914 -14.041 7.899 3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -15.466 4.785 2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -16.592 4.751 4.095 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -15.506 7.856 5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -16.615 6.495 5.628 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.736 7.256 1.135 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.402 8.598 0.704 1.00 0.00 C ATOM 1261 C LYS A 915 -9.357 8.659 -0.816 1.00 0.00 C ATOM 1262 O LYS A 915 -9.338 9.742 -1.396 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.056 9.003 1.301 1.00 0.00 C ATOM 1264 CG LYS A 915 -8.228 9.299 2.787 1.00 0.00 C ATOM 1265 CD LYS A 915 -8.806 10.701 2.964 1.00 0.00 C ATOM 1266 CE LYS A 915 -9.161 10.924 4.431 1.00 0.00 C ATOM 1267 NZ LYS A 915 -8.419 12.068 4.985 1.00 0.00 N ATOM 0 H LYS A 915 -9.126 6.884 1.863 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.165 9.294 1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.328 8.204 1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -7.668 9.882 0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -8.890 8.561 3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -7.268 9.223 3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -8.083 11.448 2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -9.693 10.821 2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -10.232 11.100 4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -8.933 10.026 5.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -8.678 12.199 5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -7.397 11.887 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -8.657 12.928 4.450 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.341 7.490 -1.461 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.298 7.415 -2.907 1.00 0.00 C ATOM 1283 C ARG A 916 -7.968 7.957 -3.412 1.00 0.00 C ATOM 1284 O ARG A 916 -7.756 8.063 -4.618 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.462 8.209 -3.492 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.498 7.246 -4.065 1.00 0.00 C ATOM 1287 CD ARG A 916 -11.502 7.351 -5.588 1.00 0.00 C ATOM 1288 NE ARG A 916 -11.662 8.740 -6.018 1.00 0.00 N ATOM 1289 CZ ARG A 916 -11.491 9.130 -7.289 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -11.162 8.232 -8.227 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -11.651 10.418 -7.621 1.00 0.00 N ATOM 0 H ARG A 916 -9.357 6.583 -0.994 1.00 0.00 H new ATOM 0 HA ARG A 916 -9.389 6.376 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -10.916 8.831 -2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.103 8.880 -4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -11.269 6.225 -3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -12.487 7.482 -3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -10.571 6.948 -5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -12.311 6.745 -5.996 1.00 0.00 H new ATOM 0 HE ARG A 916 -11.914 9.441 -5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -11.042 7.251 -7.974 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -11.032 8.529 -9.194 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -11.903 11.101 -6.907 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -11.521 10.715 -8.588 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.071 8.301 -2.485 1.00 0.00 N ATOM 1306 CA ARG A 917 -5.769 8.830 -2.839 1.00 0.00 C ATOM 1307 C ARG A 917 -4.756 8.469 -1.763 1.00 0.00 C ATOM 1308 O ARG A 917 -5.042 7.659 -0.885 1.00 0.00 O ATOM 1309 CB ARG A 917 -5.865 10.344 -3.005 1.00 0.00 C ATOM 1310 CG ARG A 917 -7.143 10.849 -2.341 1.00 0.00 C ATOM 1311 CD ARG A 917 -8.266 10.902 -3.372 1.00 0.00 C ATOM 1312 NE ARG A 917 -9.213 11.973 -3.063 1.00 0.00 N ATOM 1313 CZ ARG A 917 -10.094 12.444 -3.956 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -10.133 11.929 -5.193 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -10.935 13.429 -3.613 1.00 0.00 N ATOM 0 H ARG A 917 -7.232 8.219 -1.481 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.439 8.394 -3.782 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -4.995 10.825 -2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -5.865 10.605 -4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -7.422 10.191 -1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -6.978 11.839 -1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -7.845 11.059 -4.365 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -8.788 9.946 -3.395 1.00 0.00 H new ATOM 0 HE ARG A 917 -9.202 12.379 -2.127 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -9.492 11.179 -5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -10.803 12.287 -5.874 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -10.905 13.821 -2.672 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -11.605 13.787 -4.293 1.00 0.00 H new ATOM 1329 N LEU A 918 -3.567 9.074 -1.833 1.00 0.00 N ATOM 1330 CA LEU A 918 -2.519 8.814 -0.867 1.00 0.00 C ATOM 1331 C LEU A 918 -2.608 9.817 0.274 1.00 0.00 C ATOM 1332 O LEU A 918 -2.739 11.017 0.041 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.160 8.899 -1.556 1.00 0.00 C ATOM 1334 CG LEU A 918 -0.945 7.653 -2.410 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -1.726 6.486 -1.814 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -1.433 7.920 -3.831 1.00 0.00 C ATOM 0 H LEU A 918 -3.314 9.749 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 918 -2.641 7.813 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.111 9.793 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.368 8.985 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 918 0.116 7.406 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -1.572 5.596 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -1.377 6.295 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -2.788 6.732 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -1.280 7.030 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -2.494 8.168 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -0.874 8.753 -4.257 1.00 0.00 H new ATOM 1348 N VAL A 919 -2.536 9.323 1.513 1.00 0.00 N ATOM 1349 CA VAL A 919 -2.609 10.175 2.682 1.00 0.00 C ATOM 1350 C VAL A 919 -1.247 10.238 3.359 1.00 0.00 C ATOM 1351 O VAL A 919 -0.234 9.896 2.752 1.00 0.00 O ATOM 1352 CB VAL A 919 -3.665 9.634 3.641 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -4.693 8.820 2.859 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -2.996 8.742 4.683 1.00 0.00 C ATOM 0 H VAL A 919 -2.427 8.331 1.723 1.00 0.00 H new ATOM 0 HA VAL A 919 -2.892 11.184 2.384 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.163 10.465 4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.448 8.433 3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.171 9.456 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.195 7.988 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -3.750 8.355 5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.498 7.910 4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.262 9.323 5.241 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.225 10.676 4.620 1.00 0.00 N ATOM 1365 CA ALA A 920 0.010 10.782 5.371 1.00 0.00 C ATOM 1366 C ALA A 920 0.525 9.391 5.713 1.00 0.00 C ATOM 1367 O ALA A 920 -0.096 8.671 6.492 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.235 11.595 6.638 1.00 0.00 C ATOM 0 H ALA A 920 -2.057 10.962 5.137 1.00 0.00 H new ATOM 0 HA ALA A 920 0.764 11.290 4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.693 11.675 7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.583 12.592 6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -0.990 11.099 7.248 1.00 0.00 H new ATOM 1374 N PRO A 921 1.664 9.014 5.129 1.00 0.00 N ATOM 1375 CA PRO A 921 2.302 7.732 5.336 1.00 0.00 C ATOM 1376 C PRO A 921 2.919 7.687 6.727 1.00 0.00 C ATOM 1377 O PRO A 921 3.650 8.596 7.113 1.00 0.00 O ATOM 1378 CB PRO A 921 3.380 7.652 4.257 1.00 0.00 C ATOM 1379 CG PRO A 921 3.759 9.117 4.047 1.00 0.00 C ATOM 1380 CD PRO A 921 2.421 9.835 4.208 1.00 0.00 C ATOM 0 HA PRO A 921 1.605 6.896 5.269 1.00 0.00 H new ATOM 0 HB2 PRO A 921 4.233 7.056 4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 921 3.003 7.197 3.341 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.491 9.455 4.780 1.00 0.00 H new ATOM 0 HG3 PRO A 921 4.193 9.286 3.062 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.559 10.843 4.599 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.907 9.932 3.252 1.00 0.00 H new ATOM 1388 N CYS A 922 2.619 6.626 7.479 1.00 0.00 N ATOM 1389 CA CYS A 922 3.140 6.463 8.821 1.00 0.00 C ATOM 1390 C CYS A 922 3.166 4.985 9.183 1.00 0.00 C ATOM 1391 O CYS A 922 3.706 4.609 10.221 1.00 0.00 O ATOM 1392 CB CYS A 922 2.272 7.247 9.802 1.00 0.00 C ATOM 1393 SG CYS A 922 2.994 8.891 10.033 1.00 0.00 S ATOM 0 H CYS A 922 2.012 5.866 7.170 1.00 0.00 H new ATOM 0 HA CYS A 922 4.158 6.849 8.872 1.00 0.00 H new ATOM 0 HB2 CYS A 922 1.254 7.332 9.421 1.00 0.00 H new ATOM 0 HB3 CYS A 922 2.213 6.723 10.756 1.00 0.00 H new ATOM 0 HG CYS A 922 3.501 9.304 8.909 1.00 0.00 H new