USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 855 ARGHH11 : A 855 ARG NH1 : A 889 THR OG1 :(H bumps) USER MOD NoAdj-H: A 890 HIS H : A 890 HIS N : A 855 ARG O :(H bumps) USER MOD Set 1.1: A 836 SER OG : rot 180:sc= -0.762 USER MOD Set 1.2: A 840 THR OG1 : rot 66:sc= 0.553 USER MOD Single : A 842 CYS SG : rot 9:sc= 0.847 USER MOD Single : A 843 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.2!) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ 171:sc= -11! (180deg=-11.3!) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.0404 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -100:sc= -1.06 USER MOD Single : A 866 SER OG : rot 160:sc= 0.31 USER MOD Single : A 871 TYR OH : rot 112:sc= -33.9! USER MOD Single : A 881 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 885 MET CE :methyl 142:sc= -17.3! (180deg=-25.4!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.653 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 890 HIS : no HD1:sc= -17.1! C(o=-17!,f=-20!) USER MOD Single : A 894 SER OG : rot 180:sc= 0 USER MOD Single : A 897 LYS NZ :NH3+ 158:sc= -18! (180deg=-19.9!) USER MOD Single : A 898 ASN : amide:sc= -29.6! C(o=-30!,f=-38!) USER MOD Single : A 902 GLN : amide:sc= -2.37! K(o=-2.4!,f=-0.83) USER MOD Single : A 903 GLN : amide:sc= -13.5! C(o=-13!,f=-14!) USER MOD Single : A 905 SER OG : rot 180:sc= -2.74! USER MOD Single : A 912 CYS SG : rot -177:sc= -13.3! USER MOD Single : A 915 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0237) USER MOD Single : A 922 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 835 -8.489 0.800 10.408 1.00 0.00 N ATOM 2 CA GLY A 835 -8.766 -0.607 10.195 1.00 0.00 C ATOM 3 C GLY A 835 -10.187 -0.793 9.682 1.00 0.00 C ATOM 4 O GLY A 835 -11.025 -1.376 10.366 1.00 0.00 O ATOM 0 HA2 GLY A 835 -8.056 -1.020 9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -8.634 -1.156 11.127 1.00 0.00 H new ATOM 8 N SER A 836 -10.456 -0.295 8.473 1.00 0.00 N ATOM 9 CA SER A 836 -11.771 -0.410 7.875 1.00 0.00 C ATOM 10 C SER A 836 -11.733 -1.414 6.732 1.00 0.00 C ATOM 11 O SER A 836 -12.630 -1.435 5.891 1.00 0.00 O ATOM 12 CB SER A 836 -12.224 0.960 7.378 1.00 0.00 C ATOM 13 OG SER A 836 -13.602 0.920 7.082 1.00 0.00 O ATOM 0 H SER A 836 -9.772 0.192 7.894 1.00 0.00 H new ATOM 0 HA SER A 836 -12.483 -0.766 8.619 1.00 0.00 H new ATOM 0 HB2 SER A 836 -12.026 1.718 8.136 1.00 0.00 H new ATOM 0 HB3 SER A 836 -11.658 1.242 6.490 1.00 0.00 H new ATOM 0 HG SER A 836 -13.894 1.800 6.764 1.00 0.00 H new ATOM 19 N ALA A 837 -10.691 -2.248 6.702 1.00 0.00 N ATOM 20 CA ALA A 837 -10.542 -3.248 5.665 1.00 0.00 C ATOM 21 C ALA A 837 -11.862 -3.976 5.456 1.00 0.00 C ATOM 22 O ALA A 837 -12.464 -3.880 4.388 1.00 0.00 O ATOM 23 CB ALA A 837 -9.441 -4.229 6.059 1.00 0.00 C ATOM 0 H ALA A 837 -9.939 -2.243 7.392 1.00 0.00 H new ATOM 0 HA ALA A 837 -10.263 -2.766 4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -9.328 -4.982 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -8.501 -3.691 6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -9.706 -4.716 6.998 1.00 0.00 H new ATOM 29 N ASP A 838 -12.313 -4.705 6.480 1.00 0.00 N ATOM 30 CA ASP A 838 -13.557 -5.444 6.402 1.00 0.00 C ATOM 31 C ASP A 838 -14.685 -4.511 5.987 1.00 0.00 C ATOM 32 O ASP A 838 -15.743 -4.966 5.559 1.00 0.00 O ATOM 33 CB ASP A 838 -13.853 -6.082 7.757 1.00 0.00 C ATOM 34 CG ASP A 838 -13.779 -5.050 8.872 1.00 0.00 C ATOM 35 OD1 ASP A 838 -14.715 -4.224 8.945 1.00 0.00 O ATOM 36 OD2 ASP A 838 -12.788 -5.105 9.632 1.00 0.00 O ATOM 0 H ASP A 838 -11.827 -4.794 7.372 1.00 0.00 H new ATOM 0 HA ASP A 838 -13.471 -6.233 5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -14.844 -6.535 7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -13.139 -6.883 7.950 1.00 0.00 H new ATOM 41 N GLU A 839 -14.459 -3.202 6.115 1.00 0.00 N ATOM 42 CA GLU A 839 -15.457 -2.216 5.752 1.00 0.00 C ATOM 43 C GLU A 839 -15.071 -1.545 4.441 1.00 0.00 C ATOM 44 O GLU A 839 -15.883 -0.849 3.835 1.00 0.00 O ATOM 45 CB GLU A 839 -15.584 -1.186 6.870 1.00 0.00 C ATOM 46 CG GLU A 839 -16.774 -1.541 7.757 1.00 0.00 C ATOM 47 CD GLU A 839 -17.789 -0.407 7.783 1.00 0.00 C ATOM 48 OE1 GLU A 839 -18.315 -0.092 6.694 1.00 0.00 O ATOM 49 OE2 GLU A 839 -18.020 0.122 8.891 1.00 0.00 O ATOM 0 H GLU A 839 -13.588 -2.807 6.469 1.00 0.00 H new ATOM 0 HA GLU A 839 -16.421 -2.705 5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -14.669 -1.162 7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -15.716 -0.190 6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -17.248 -2.451 7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -16.429 -1.749 8.770 1.00 0.00 H new ATOM 56 N THR A 840 -13.828 -1.756 4.004 1.00 0.00 N ATOM 57 CA THR A 840 -13.346 -1.171 2.769 1.00 0.00 C ATOM 58 C THR A 840 -13.084 -2.266 1.744 1.00 0.00 C ATOM 59 O THR A 840 -13.840 -2.417 0.787 1.00 0.00 O ATOM 60 CB THR A 840 -12.074 -0.375 3.046 1.00 0.00 C ATOM 61 OG1 THR A 840 -12.351 0.642 3.982 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.572 0.251 1.748 1.00 0.00 C ATOM 0 H THR A 840 -13.142 -2.330 4.494 1.00 0.00 H new ATOM 0 HA THR A 840 -14.101 -0.497 2.365 1.00 0.00 H new ATOM 0 HB THR A 840 -11.309 -1.040 3.447 1.00 0.00 H new ATOM 0 HG1 THR A 840 -12.582 0.239 4.845 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.663 0.820 1.946 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.358 -0.535 1.024 1.00 0.00 H new ATOM 0 HG23 THR A 840 -12.336 0.916 1.346 1.00 0.00 H new ATOM 70 N LEU A 841 -12.009 -3.031 1.948 1.00 0.00 N ATOM 71 CA LEU A 841 -11.653 -4.106 1.045 1.00 0.00 C ATOM 72 C LEU A 841 -12.717 -5.193 1.090 1.00 0.00 C ATOM 73 O LEU A 841 -12.630 -6.182 0.365 1.00 0.00 O ATOM 74 CB LEU A 841 -10.289 -4.668 1.436 1.00 0.00 C ATOM 75 CG LEU A 841 -9.947 -5.848 0.532 1.00 0.00 C ATOM 76 CD1 LEU A 841 -10.214 -7.154 1.275 1.00 0.00 C ATOM 77 CD2 LEU A 841 -10.810 -5.792 -0.726 1.00 0.00 C ATOM 0 H LEU A 841 -11.373 -2.918 2.737 1.00 0.00 H new ATOM 0 HA LEU A 841 -11.596 -3.724 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -9.526 -3.895 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -10.300 -4.986 2.479 1.00 0.00 H new ATOM 0 HG LEU A 841 -8.894 -5.798 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -9.969 -7.997 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -9.597 -7.194 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -11.266 -7.205 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -10.566 -6.635 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -11.863 -5.841 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -10.618 -4.860 -1.258 1.00 0.00 H new ATOM 89 N CYS A 842 -13.725 -5.007 1.947 1.00 0.00 N ATOM 90 CA CYS A 842 -14.802 -5.966 2.086 1.00 0.00 C ATOM 91 C CYS A 842 -15.491 -6.158 0.742 1.00 0.00 C ATOM 92 O CYS A 842 -16.261 -7.100 0.568 1.00 0.00 O ATOM 93 CB CYS A 842 -15.792 -5.470 3.136 1.00 0.00 C ATOM 94 SG CYS A 842 -17.435 -6.114 2.737 1.00 0.00 S ATOM 0 H CYS A 842 -13.809 -4.192 2.555 1.00 0.00 H new ATOM 0 HA CYS A 842 -14.402 -6.927 2.410 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -15.487 -5.802 4.129 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -15.808 -4.380 3.155 1.00 0.00 H new ATOM 0 HG CYS A 842 -17.339 -6.983 1.775 1.00 0.00 H new ATOM 100 N GLN A 843 -15.212 -5.263 -0.209 1.00 0.00 N ATOM 101 CA GLN A 843 -15.807 -5.340 -1.528 1.00 0.00 C ATOM 102 C GLN A 843 -14.902 -6.138 -2.457 1.00 0.00 C ATOM 103 O GLN A 843 -14.458 -5.627 -3.483 1.00 0.00 O ATOM 104 CB GLN A 843 -16.028 -3.930 -2.068 1.00 0.00 C ATOM 105 CG GLN A 843 -16.425 -3.003 -0.923 1.00 0.00 C ATOM 106 CD GLN A 843 -17.844 -2.487 -1.110 1.00 0.00 C ATOM 107 OE1 GLN A 843 -18.294 -2.297 -2.237 1.00 0.00 O ATOM 108 NE2 GLN A 843 -18.550 -2.260 0.001 1.00 0.00 N ATOM 0 H GLN A 843 -14.574 -4.477 -0.081 1.00 0.00 H new ATOM 0 HA GLN A 843 -16.770 -5.847 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -15.119 -3.566 -2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -16.808 -3.939 -2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -16.349 -3.536 0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -15.732 -2.163 -0.873 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -18.132 -2.433 0.915 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -19.507 -1.913 -0.065 1.00 0.00 H new ATOM 117 N THR A 844 -14.630 -7.394 -2.095 1.00 0.00 N ATOM 118 CA THR A 844 -13.782 -8.250 -2.900 1.00 0.00 C ATOM 119 C THR A 844 -12.358 -7.713 -2.906 1.00 0.00 C ATOM 120 O THR A 844 -11.451 -8.342 -2.365 1.00 0.00 O ATOM 121 CB THR A 844 -14.337 -8.326 -4.319 1.00 0.00 C ATOM 122 OG1 THR A 844 -14.486 -9.677 -4.694 1.00 0.00 O ATOM 123 CG2 THR A 844 -13.374 -7.635 -5.280 1.00 0.00 C ATOM 0 H THR A 844 -14.989 -7.833 -1.247 1.00 0.00 H new ATOM 0 HA THR A 844 -13.767 -9.254 -2.475 1.00 0.00 H new ATOM 0 HB THR A 844 -15.307 -7.829 -4.356 1.00 0.00 H new ATOM 0 HG1 THR A 844 -14.844 -9.726 -5.605 1.00 0.00 H new ATOM 0 HG21 THR A 844 -13.770 -7.689 -6.294 1.00 0.00 H new ATOM 0 HG22 THR A 844 -13.259 -6.590 -4.991 1.00 0.00 H new ATOM 0 HG23 THR A 844 -12.404 -8.131 -5.243 1.00 0.00 H new ATOM 131 N LYS A 845 -12.163 -6.543 -3.520 1.00 0.00 N ATOM 132 CA LYS A 845 -10.853 -5.929 -3.593 1.00 0.00 C ATOM 133 C LYS A 845 -10.996 -4.419 -3.720 1.00 0.00 C ATOM 134 O LYS A 845 -10.028 -3.684 -3.540 1.00 0.00 O ATOM 135 CB LYS A 845 -10.089 -6.501 -4.783 1.00 0.00 C ATOM 136 CG LYS A 845 -9.244 -7.686 -4.323 1.00 0.00 C ATOM 137 CD LYS A 845 -8.180 -7.202 -3.341 1.00 0.00 C ATOM 138 CE LYS A 845 -8.600 -7.560 -1.918 1.00 0.00 C ATOM 139 NZ LYS A 845 -8.106 -8.893 -1.542 1.00 0.00 N ATOM 0 H LYS A 845 -12.904 -6.008 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 845 -10.296 -6.146 -2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -10.786 -6.817 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -9.451 -5.734 -5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -9.877 -8.436 -3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -8.772 -8.164 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -7.219 -7.661 -3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -8.049 -6.124 -3.433 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -8.213 -6.815 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -9.687 -7.535 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -8.271 -9.051 -0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -8.610 -9.618 -2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -7.087 -8.954 -1.741 1.00 0.00 H new ATOM 153 N VAL A 846 -12.209 -3.957 -4.033 1.00 0.00 N ATOM 154 CA VAL A 846 -12.473 -2.540 -4.183 1.00 0.00 C ATOM 155 C VAL A 846 -11.289 -1.865 -4.859 1.00 0.00 C ATOM 156 O VAL A 846 -11.436 -1.271 -5.924 1.00 0.00 O ATOM 157 CB VAL A 846 -12.737 -1.925 -2.811 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.051 -3.031 -1.809 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.500 -1.158 -2.352 1.00 0.00 C ATOM 0 H VAL A 846 -13.022 -4.554 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 846 -13.354 -2.393 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 846 -13.585 -1.243 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.239 -2.592 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -13.934 -3.579 -2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -12.204 -3.714 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.687 -0.718 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -10.652 -1.840 -2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -11.276 -0.367 -3.068 1.00 0.00 H new ATOM 169 N LEU A 847 -10.111 -1.957 -4.236 1.00 0.00 N ATOM 170 CA LEU A 847 -8.909 -1.356 -4.780 1.00 0.00 C ATOM 171 C LEU A 847 -9.085 0.153 -4.878 1.00 0.00 C ATOM 172 O LEU A 847 -8.656 0.889 -3.992 1.00 0.00 O ATOM 173 CB LEU A 847 -8.617 -1.957 -6.152 1.00 0.00 C ATOM 174 CG LEU A 847 -8.851 -3.464 -6.107 1.00 0.00 C ATOM 175 CD1 LEU A 847 -8.004 -4.078 -4.996 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.327 -3.742 -5.835 1.00 0.00 C ATOM 0 H LEU A 847 -9.973 -2.446 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 847 -8.065 -1.561 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.260 -1.501 -6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -7.587 -1.746 -6.442 1.00 0.00 H new ATOM 0 HG LEU A 847 -8.569 -3.904 -7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -8.171 -5.155 -4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -6.950 -3.880 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.285 -3.638 -4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.495 -4.819 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.610 -3.302 -4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -10.932 -3.304 -6.629 1.00 0.00 H new ATOM 188 N LEU A 848 -9.719 0.612 -5.959 1.00 0.00 N ATOM 189 CA LEU A 848 -9.948 2.028 -6.168 1.00 0.00 C ATOM 190 C LEU A 848 -8.641 2.714 -6.538 1.00 0.00 C ATOM 191 O LEU A 848 -7.567 2.144 -6.361 1.00 0.00 O ATOM 192 CB LEU A 848 -10.539 2.639 -4.901 1.00 0.00 C ATOM 193 CG LEU A 848 -12.038 2.853 -5.091 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.704 3.030 -3.729 1.00 0.00 C ATOM 195 CD2 LEU A 848 -12.270 4.102 -5.937 1.00 0.00 C ATOM 0 H LEU A 848 -10.081 0.014 -6.702 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.653 2.169 -6.987 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.360 1.982 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -10.050 3.588 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 848 -12.467 1.987 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.775 3.183 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.538 2.138 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.275 3.895 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -13.341 4.256 -6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -11.840 4.968 -5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -11.795 3.976 -6.910 1.00 0.00 H new ATOM 207 N ASP A 849 -8.735 3.942 -7.053 1.00 0.00 N ATOM 208 CA ASP A 849 -7.562 4.698 -7.446 1.00 0.00 C ATOM 209 C ASP A 849 -6.910 5.311 -6.216 1.00 0.00 C ATOM 210 O ASP A 849 -6.740 6.526 -6.142 1.00 0.00 O ATOM 211 CB ASP A 849 -7.967 5.781 -8.442 1.00 0.00 C ATOM 212 CG ASP A 849 -9.231 6.495 -7.985 1.00 0.00 C ATOM 213 OD1 ASP A 849 -9.386 6.641 -6.753 1.00 0.00 O ATOM 214 OD2 ASP A 849 -10.018 6.881 -8.875 1.00 0.00 O ATOM 0 H ASP A 849 -9.619 4.428 -7.205 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.839 4.036 -7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -7.157 6.502 -8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -8.131 5.335 -9.423 1.00 0.00 H new ATOM 219 N ILE A 850 -6.544 4.467 -5.248 1.00 0.00 N ATOM 220 CA ILE A 850 -5.911 4.928 -4.028 1.00 0.00 C ATOM 221 C ILE A 850 -4.426 5.155 -4.272 1.00 0.00 C ATOM 222 O ILE A 850 -4.025 6.229 -4.713 1.00 0.00 O ATOM 223 CB ILE A 850 -6.128 3.898 -2.923 1.00 0.00 C ATOM 224 CG1 ILE A 850 -7.276 2.970 -3.310 1.00 0.00 C ATOM 225 CG2 ILE A 850 -6.469 4.614 -1.620 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.606 3.673 -3.053 1.00 0.00 C ATOM 0 H ILE A 850 -6.680 3.457 -5.294 1.00 0.00 H new ATOM 0 HA ILE A 850 -6.356 5.873 -3.717 1.00 0.00 H new ATOM 0 HB ILE A 850 -5.218 3.313 -2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -7.196 2.693 -4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -7.222 2.047 -2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -6.624 3.879 -0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -5.649 5.276 -1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.378 5.200 -1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -9.427 3.011 -3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.685 3.927 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -8.658 4.583 -3.650 1.00 0.00 H new ATOM 238 N PHE A 851 -3.609 4.139 -3.983 1.00 0.00 N ATOM 239 CA PHE A 851 -2.176 4.235 -4.173 1.00 0.00 C ATOM 240 C PHE A 851 -1.867 4.516 -5.637 1.00 0.00 C ATOM 241 O PHE A 851 -0.867 4.035 -6.166 1.00 0.00 O ATOM 242 CB PHE A 851 -1.515 2.937 -3.720 1.00 0.00 C ATOM 243 CG PHE A 851 -2.144 2.341 -2.483 1.00 0.00 C ATOM 244 CD1 PHE A 851 -2.143 3.060 -1.281 1.00 0.00 C ATOM 245 CD2 PHE A 851 -2.730 1.070 -2.538 1.00 0.00 C ATOM 246 CE1 PHE A 851 -2.728 2.508 -0.135 1.00 0.00 C ATOM 247 CE2 PHE A 851 -3.315 0.519 -1.392 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.314 1.238 -0.190 1.00 0.00 C ATOM 0 H PHE A 851 -3.925 3.242 -3.616 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.781 5.056 -3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.567 2.210 -4.531 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.459 3.124 -3.527 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -1.691 4.040 -1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -2.730 0.515 -3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -2.727 3.062 0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -3.767 -0.461 -1.435 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.765 0.813 0.694 1.00 0.00 H new ATOM 258 N THR A 852 -2.728 5.297 -6.293 1.00 0.00 N ATOM 259 CA THR A 852 -2.538 5.635 -7.689 1.00 0.00 C ATOM 260 C THR A 852 -1.076 5.968 -7.948 1.00 0.00 C ATOM 261 O THR A 852 -0.603 7.038 -7.570 1.00 0.00 O ATOM 262 CB THR A 852 -3.434 6.816 -8.051 1.00 0.00 C ATOM 263 OG1 THR A 852 -4.016 6.593 -9.316 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.600 8.094 -8.093 1.00 0.00 C ATOM 0 H THR A 852 -3.563 5.704 -5.871 1.00 0.00 H new ATOM 0 HA THR A 852 -2.810 4.783 -8.313 1.00 0.00 H new ATOM 0 HB THR A 852 -4.219 6.919 -7.302 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.593 7.350 -9.549 1.00 0.00 H new ATOM 0 HG21 THR A 852 -3.240 8.938 -8.352 1.00 0.00 H new ATOM 0 HG22 THR A 852 -2.149 8.267 -7.116 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.815 7.991 -8.842 1.00 0.00 H new ATOM 272 N GLY A 853 -0.358 5.048 -8.597 1.00 0.00 N ATOM 273 CA GLY A 853 1.044 5.252 -8.901 1.00 0.00 C ATOM 274 C GLY A 853 1.871 5.218 -7.624 1.00 0.00 C ATOM 275 O GLY A 853 3.075 5.466 -7.654 1.00 0.00 O ATOM 0 H GLY A 853 -0.733 4.156 -8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.391 4.480 -9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 853 1.179 6.209 -9.404 1.00 0.00 H new ATOM 279 N VAL A 854 1.221 4.909 -6.499 1.00 0.00 N ATOM 280 CA VAL A 854 1.897 4.844 -5.219 1.00 0.00 C ATOM 281 C VAL A 854 2.618 3.510 -5.085 1.00 0.00 C ATOM 282 O VAL A 854 1.986 2.481 -4.857 1.00 0.00 O ATOM 283 CB VAL A 854 0.878 5.023 -4.097 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.458 4.486 -2.792 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.554 6.506 -3.938 1.00 0.00 C ATOM 0 H VAL A 854 0.223 4.701 -6.458 1.00 0.00 H new ATOM 0 HA VAL A 854 2.636 5.643 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 854 -0.032 4.476 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 854 0.730 4.614 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 854 1.690 3.427 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.368 5.033 -2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -0.174 6.636 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.464 7.053 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.140 6.890 -4.870 1.00 0.00 H new ATOM 295 N ARG A 855 3.945 3.531 -5.227 1.00 0.00 N ATOM 296 CA ARG A 855 4.744 2.326 -5.122 1.00 0.00 C ATOM 297 C ARG A 855 5.278 2.183 -3.704 1.00 0.00 C ATOM 298 O ARG A 855 6.372 2.652 -3.400 1.00 0.00 O ATOM 299 CB ARG A 855 5.891 2.389 -6.127 1.00 0.00 C ATOM 300 CG ARG A 855 7.053 3.173 -5.524 1.00 0.00 C ATOM 301 CD ARG A 855 7.963 3.674 -6.642 1.00 0.00 C ATOM 302 NE ARG A 855 7.186 4.296 -7.714 1.00 0.00 N ATOM 303 CZ ARG A 855 7.058 5.623 -7.841 1.00 0.00 C ATOM 304 NH1 ARG A 855 7.658 6.441 -6.966 1.00 0.00 N ATOM 305 NH2 ARG A 855 6.331 6.134 -8.845 1.00 0.00 N ATOM 0 H ARG A 855 4.483 4.377 -5.416 1.00 0.00 H new ATOM 0 HA ARG A 855 4.128 1.455 -5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 855 6.215 1.382 -6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 855 5.556 2.866 -7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.675 4.015 -4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 855 7.616 2.540 -4.838 1.00 0.00 H new ATOM 0 HD2 ARG A 855 8.676 4.394 -6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 855 8.542 2.843 -7.044 1.00 0.00 H new ATOM 0 HE ARG A 855 6.722 3.693 -8.394 1.00 0.00 H new ATOM 0 HH12 ARG A 855 7.560 7.452 -7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 855 5.875 5.512 -9.513 1.00 0.00 H new ATOM 0 HH22 ARG A 855 6.234 7.145 -8.941 1.00 0.00 H new ATOM 319 N LEU A 856 4.501 1.532 -2.834 1.00 0.00 N ATOM 320 CA LEU A 856 4.898 1.330 -1.455 1.00 0.00 C ATOM 321 C LEU A 856 5.382 -0.099 -1.261 1.00 0.00 C ATOM 322 O LEU A 856 4.769 -1.038 -1.765 1.00 0.00 O ATOM 323 CB LEU A 856 3.716 1.630 -0.537 1.00 0.00 C ATOM 324 CG LEU A 856 3.065 0.321 -0.102 1.00 0.00 C ATOM 325 CD1 LEU A 856 4.138 -0.632 0.419 1.00 0.00 C ATOM 326 CD2 LEU A 856 2.052 0.600 1.004 1.00 0.00 C ATOM 0 H LEU A 856 3.591 1.137 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 856 5.716 2.006 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 856 4.053 2.189 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 856 2.989 2.256 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 856 2.558 -0.133 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 856 3.674 -1.568 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 856 4.862 -0.831 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 856 4.645 -0.178 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 856 1.586 -0.335 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 856 2.559 1.054 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 856 1.286 1.281 0.633 1.00 0.00 H new ATOM 338 N TYR A 857 6.485 -0.264 -0.528 1.00 0.00 N ATOM 339 CA TYR A 857 7.044 -1.576 -0.273 1.00 0.00 C ATOM 340 C TYR A 857 6.207 -2.300 0.772 1.00 0.00 C ATOM 341 O TYR A 857 6.333 -2.032 1.965 1.00 0.00 O ATOM 342 CB TYR A 857 8.488 -1.430 0.197 1.00 0.00 C ATOM 343 CG TYR A 857 8.848 -2.354 1.336 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.558 -3.720 1.247 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.471 -1.843 2.481 1.00 0.00 C ATOM 346 CE1 TYR A 857 8.892 -4.577 2.303 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.805 -2.700 3.537 1.00 0.00 C ATOM 348 CZ TYR A 857 9.516 -4.066 3.448 1.00 0.00 C ATOM 349 OH TYR A 857 9.842 -4.901 4.476 1.00 0.00 O ATOM 0 H TYR A 857 7.005 0.504 -0.103 1.00 0.00 H new ATOM 0 HA TYR A 857 7.032 -2.165 -1.190 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.156 -1.624 -0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.658 -0.399 0.508 1.00 0.00 H new ATOM 0 HD1 TYR A 857 8.077 -4.113 0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.694 -0.788 2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.669 -5.631 2.234 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.286 -2.306 4.420 1.00 0.00 H new ATOM 0 HH TYR A 857 10.269 -4.387 5.192 1.00 0.00 H new ATOM 359 N LEU A 858 5.350 -3.219 0.322 1.00 0.00 N ATOM 360 CA LEU A 858 4.499 -3.976 1.218 1.00 0.00 C ATOM 361 C LEU A 858 5.292 -5.112 1.847 1.00 0.00 C ATOM 362 O LEU A 858 5.680 -6.055 1.162 1.00 0.00 O ATOM 363 CB LEU A 858 3.300 -4.517 0.444 1.00 0.00 C ATOM 364 CG LEU A 858 2.318 -5.165 1.415 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.628 -4.704 2.836 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.894 -4.758 1.047 1.00 0.00 C ATOM 0 H LEU A 858 5.233 -3.452 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 858 4.137 -3.327 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.810 -3.709 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.630 -5.246 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 858 2.412 -6.249 1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 858 1.926 -5.167 3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.645 -4.996 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.535 -3.620 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.192 -5.221 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.799 -3.674 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.672 -5.088 0.032 1.00 0.00 H new ATOM 378 N PRO A 859 5.531 -5.021 3.157 1.00 0.00 N ATOM 379 CA PRO A 859 6.265 -6.005 3.924 1.00 0.00 C ATOM 380 C PRO A 859 5.415 -7.256 4.095 1.00 0.00 C ATOM 381 O PRO A 859 4.195 -7.169 4.208 1.00 0.00 O ATOM 382 CB PRO A 859 6.530 -5.335 5.270 1.00 0.00 C ATOM 383 CG PRO A 859 5.331 -4.400 5.425 1.00 0.00 C ATOM 384 CD PRO A 859 5.089 -3.926 3.994 1.00 0.00 C ATOM 0 HA PRO A 859 7.192 -6.314 3.441 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.583 -6.062 6.080 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.473 -4.788 5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.463 -4.918 5.832 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.549 -3.569 6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.036 -3.701 3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.648 -3.015 3.780 1.00 0.00 H new ATOM 392 N PRO A 860 6.064 -8.422 4.112 1.00 0.00 N ATOM 393 CA PRO A 860 5.423 -9.711 4.265 1.00 0.00 C ATOM 394 C PRO A 860 4.944 -9.875 5.700 1.00 0.00 C ATOM 395 O PRO A 860 4.047 -10.670 5.970 1.00 0.00 O ATOM 396 CB PRO A 860 6.508 -10.731 3.929 1.00 0.00 C ATOM 397 CG PRO A 860 7.789 -10.013 4.352 1.00 0.00 C ATOM 398 CD PRO A 860 7.498 -8.561 3.981 1.00 0.00 C ATOM 0 HA PRO A 860 4.550 -9.830 3.623 1.00 0.00 H new ATOM 0 HB2 PRO A 860 6.369 -11.665 4.474 1.00 0.00 H new ATOM 0 HB3 PRO A 860 6.515 -10.980 2.868 1.00 0.00 H new ATOM 0 HG2 PRO A 860 7.984 -10.127 5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.662 -10.398 3.825 1.00 0.00 H new ATOM 0 HD2 PRO A 860 8.023 -7.872 4.642 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.825 -8.340 2.965 1.00 0.00 H new ATOM 406 N SER A 861 5.548 -9.122 6.622 1.00 0.00 N ATOM 407 CA SER A 861 5.180 -9.189 8.022 1.00 0.00 C ATOM 408 C SER A 861 3.927 -8.360 8.268 1.00 0.00 C ATOM 409 O SER A 861 3.316 -8.456 9.330 1.00 0.00 O ATOM 410 CB SER A 861 6.340 -8.683 8.876 1.00 0.00 C ATOM 411 OG SER A 861 6.834 -9.739 9.669 1.00 0.00 O ATOM 0 H SER A 861 6.295 -8.460 6.415 1.00 0.00 H new ATOM 0 HA SER A 861 4.966 -10.222 8.297 1.00 0.00 H new ATOM 0 HB2 SER A 861 7.132 -8.292 8.238 1.00 0.00 H new ATOM 0 HB3 SER A 861 6.007 -7.862 9.511 1.00 0.00 H new ATOM 0 HG SER A 861 7.580 -9.416 10.216 1.00 0.00 H new ATOM 417 N THR A 862 3.545 -7.546 7.282 1.00 0.00 N ATOM 418 CA THR A 862 2.367 -6.710 7.400 1.00 0.00 C ATOM 419 C THR A 862 1.114 -7.572 7.375 1.00 0.00 C ATOM 420 O THR A 862 1.045 -8.552 6.637 1.00 0.00 O ATOM 421 CB THR A 862 2.348 -5.697 6.259 1.00 0.00 C ATOM 422 OG1 THR A 862 2.471 -4.394 6.785 1.00 0.00 O ATOM 423 CG2 THR A 862 1.032 -5.815 5.495 1.00 0.00 C ATOM 0 H THR A 862 4.040 -7.454 6.395 1.00 0.00 H new ATOM 0 HA THR A 862 2.393 -6.172 8.348 1.00 0.00 H new ATOM 0 HB THR A 862 3.179 -5.896 5.583 1.00 0.00 H new ATOM 0 HG1 THR A 862 1.587 -3.972 6.824 1.00 0.00 H new ATOM 0 HG21 THR A 862 1.018 -5.091 4.680 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.936 -6.822 5.088 1.00 0.00 H new ATOM 0 HG23 THR A 862 0.200 -5.616 6.171 1.00 0.00 H new ATOM 431 N PRO A 863 0.119 -7.205 8.187 1.00 0.00 N ATOM 432 CA PRO A 863 -1.144 -7.901 8.297 1.00 0.00 C ATOM 433 C PRO A 863 -1.976 -7.649 7.047 1.00 0.00 C ATOM 434 O PRO A 863 -1.901 -6.574 6.456 1.00 0.00 O ATOM 435 CB PRO A 863 -1.815 -7.303 9.531 1.00 0.00 C ATOM 436 CG PRO A 863 -1.269 -5.876 9.555 1.00 0.00 C ATOM 437 CD PRO A 863 0.166 -6.058 9.068 1.00 0.00 C ATOM 0 HA PRO A 863 -1.027 -8.981 8.389 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -2.902 -7.319 9.448 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.556 -7.850 10.437 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -1.837 -5.214 8.902 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -1.306 -5.445 10.556 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.520 -5.171 8.543 1.00 0.00 H new ATOM 0 HD3 PRO A 863 0.847 -6.228 9.902 1.00 0.00 H new ATOM 445 N ASP A 864 -2.770 -8.644 6.646 1.00 0.00 N ATOM 446 CA ASP A 864 -3.608 -8.526 5.469 1.00 0.00 C ATOM 447 C ASP A 864 -2.739 -8.485 4.220 1.00 0.00 C ATOM 448 O ASP A 864 -3.237 -8.239 3.124 1.00 0.00 O ATOM 449 CB ASP A 864 -4.460 -7.265 5.577 1.00 0.00 C ATOM 450 CG ASP A 864 -5.937 -7.614 5.696 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.343 -7.987 6.817 1.00 0.00 O ATOM 452 OD2 ASP A 864 -6.631 -7.503 4.662 1.00 0.00 O ATOM 0 H ASP A 864 -2.844 -9.541 7.127 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.269 -9.390 5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -4.149 -6.685 6.445 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -4.300 -6.637 4.700 1.00 0.00 H new ATOM 457 N PHE A 865 -1.437 -8.727 4.388 1.00 0.00 N ATOM 458 CA PHE A 865 -0.510 -8.716 3.274 1.00 0.00 C ATOM 459 C PHE A 865 -1.170 -9.327 2.046 1.00 0.00 C ATOM 460 O PHE A 865 -1.182 -8.719 0.978 1.00 0.00 O ATOM 461 CB PHE A 865 0.748 -9.491 3.654 1.00 0.00 C ATOM 462 CG PHE A 865 1.905 -9.263 2.710 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.436 -7.977 2.553 1.00 0.00 C ATOM 464 CD2 PHE A 865 2.444 -10.336 1.991 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.507 -7.764 1.676 1.00 0.00 C ATOM 466 CE2 PHE A 865 3.515 -10.123 1.114 1.00 0.00 C ATOM 467 CZ PHE A 865 4.046 -8.838 0.957 1.00 0.00 C ATOM 0 H PHE A 865 -1.008 -8.933 5.290 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.232 -7.689 3.038 1.00 0.00 H new ATOM 0 HB2 PHE A 865 1.050 -9.206 4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.515 -10.556 3.680 1.00 0.00 H new ATOM 0 HD1 PHE A 865 2.020 -7.149 3.108 1.00 0.00 H new ATOM 0 HD2 PHE A 865 2.034 -11.328 2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.917 -6.772 1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 865 3.931 -10.951 0.559 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.872 -8.674 0.281 1.00 0.00 H new ATOM 477 N SER A 866 -1.722 -10.533 2.201 1.00 0.00 N ATOM 478 CA SER A 866 -2.381 -11.217 1.106 1.00 0.00 C ATOM 479 C SER A 866 -2.941 -10.199 0.123 1.00 0.00 C ATOM 480 O SER A 866 -2.372 -9.985 -0.945 1.00 0.00 O ATOM 481 CB SER A 866 -3.492 -12.105 1.658 1.00 0.00 C ATOM 482 OG SER A 866 -4.444 -12.350 0.646 1.00 0.00 O ATOM 0 H SER A 866 -1.721 -11.050 3.080 1.00 0.00 H new ATOM 0 HA SER A 866 -1.662 -11.843 0.578 1.00 0.00 H new ATOM 0 HB2 SER A 866 -3.076 -13.046 2.016 1.00 0.00 H new ATOM 0 HB3 SER A 866 -3.968 -11.622 2.511 1.00 0.00 H new ATOM 0 HG SER A 866 -4.966 -13.147 0.874 1.00 0.00 H new ATOM 488 N ARG A 867 -4.061 -9.569 0.488 1.00 0.00 N ATOM 489 CA ARG A 867 -4.692 -8.578 -0.360 1.00 0.00 C ATOM 490 C ARG A 867 -3.793 -7.356 -0.482 1.00 0.00 C ATOM 491 O ARG A 867 -3.602 -6.831 -1.577 1.00 0.00 O ATOM 492 CB ARG A 867 -6.047 -8.196 0.228 1.00 0.00 C ATOM 493 CG ARG A 867 -6.757 -9.451 0.727 1.00 0.00 C ATOM 494 CD ARG A 867 -6.511 -9.613 2.224 1.00 0.00 C ATOM 495 NE ARG A 867 -6.156 -10.994 2.551 1.00 0.00 N ATOM 496 CZ ARG A 867 -5.991 -11.422 3.810 1.00 0.00 C ATOM 497 NH1 ARG A 867 -6.152 -10.572 4.834 1.00 0.00 N ATOM 498 NH2 ARG A 867 -5.664 -12.701 4.047 1.00 0.00 N ATOM 0 H ARG A 867 -4.544 -9.735 1.371 1.00 0.00 H new ATOM 0 HA ARG A 867 -4.847 -8.991 -1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -5.914 -7.490 1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.655 -7.697 -0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -7.826 -9.380 0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -6.391 -10.326 0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -5.710 -8.944 2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -7.405 -9.323 2.776 1.00 0.00 H new ATOM 0 HE ARG A 867 -6.029 -11.659 1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -6.400 -9.599 4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -6.026 -10.898 5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -5.541 -13.349 3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -5.539 -13.026 5.006 1.00 0.00 H new ATOM 512 N LEU A 868 -3.241 -6.904 0.646 1.00 0.00 N ATOM 513 CA LEU A 868 -2.366 -5.748 0.660 1.00 0.00 C ATOM 514 C LEU A 868 -1.533 -5.715 -0.613 1.00 0.00 C ATOM 515 O LEU A 868 -1.457 -4.687 -1.282 1.00 0.00 O ATOM 516 CB LEU A 868 -1.468 -5.806 1.892 1.00 0.00 C ATOM 517 CG LEU A 868 -2.146 -5.078 3.050 1.00 0.00 C ATOM 518 CD1 LEU A 868 -1.083 -4.487 3.971 1.00 0.00 C ATOM 519 CD2 LEU A 868 -3.024 -3.957 2.501 1.00 0.00 C ATOM 0 H LEU A 868 -3.390 -7.329 1.561 1.00 0.00 H new ATOM 0 HA LEU A 868 -2.962 -4.837 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -1.273 -6.843 2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.504 -5.347 1.674 1.00 0.00 H new ATOM 0 HG LEU A 868 -2.762 -5.781 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -1.566 -3.967 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -0.455 -5.287 4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -0.467 -3.784 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.509 -3.437 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -2.408 -3.254 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -3.783 -4.379 1.843 1.00 0.00 H new ATOM 531 N ARG A 869 -0.907 -6.846 -0.948 1.00 0.00 N ATOM 532 CA ARG A 869 -0.083 -6.942 -2.136 1.00 0.00 C ATOM 533 C ARG A 869 -0.947 -6.774 -3.377 1.00 0.00 C ATOM 534 O ARG A 869 -1.092 -5.666 -3.890 1.00 0.00 O ATOM 535 CB ARG A 869 0.630 -8.291 -2.152 1.00 0.00 C ATOM 536 CG ARG A 869 1.808 -8.231 -3.120 1.00 0.00 C ATOM 537 CD ARG A 869 3.112 -8.155 -2.330 1.00 0.00 C ATOM 538 NE ARG A 869 3.581 -9.491 -1.961 1.00 0.00 N ATOM 539 CZ ARG A 869 4.415 -10.205 -2.728 1.00 0.00 C ATOM 540 NH1 ARG A 869 4.856 -9.700 -3.889 1.00 0.00 N ATOM 541 NH2 ARG A 869 4.809 -11.424 -2.336 1.00 0.00 N ATOM 0 H ARG A 869 -0.961 -7.707 -0.404 1.00 0.00 H new ATOM 0 HA ARG A 869 0.666 -6.150 -2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 869 0.980 -8.541 -1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 869 -0.062 -9.077 -2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 869 1.810 -9.112 -3.762 1.00 0.00 H new ATOM 0 HG3 ARG A 869 1.714 -7.362 -3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 869 3.873 -7.650 -2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 869 2.962 -7.557 -1.431 1.00 0.00 H new ATOM 0 HE ARG A 869 3.259 -9.896 -1.082 1.00 0.00 H new ATOM 0 HH11 ARG A 869 4.556 -8.772 -4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 869 5.491 -10.244 -4.473 1.00 0.00 H new ATOM 0 HH21 ARG A 869 4.474 -11.809 -1.453 1.00 0.00 H new ATOM 0 HH22 ARG A 869 5.444 -11.967 -2.921 1.00 0.00 H new ATOM 555 N ARG A 870 -1.523 -7.878 -3.860 1.00 0.00 N ATOM 556 CA ARG A 870 -2.368 -7.848 -5.037 1.00 0.00 C ATOM 557 C ARG A 870 -3.191 -6.568 -5.048 1.00 0.00 C ATOM 558 O ARG A 870 -3.064 -5.754 -5.960 1.00 0.00 O ATOM 559 CB ARG A 870 -3.276 -9.074 -5.041 1.00 0.00 C ATOM 560 CG ARG A 870 -4.175 -9.037 -6.273 1.00 0.00 C ATOM 561 CD ARG A 870 -3.345 -9.338 -7.518 1.00 0.00 C ATOM 562 NE ARG A 870 -3.741 -10.613 -8.117 1.00 0.00 N ATOM 563 CZ ARG A 870 -3.479 -10.927 -9.394 1.00 0.00 C ATOM 564 NH1 ARG A 870 -2.828 -10.057 -10.178 1.00 0.00 N ATOM 565 NH2 ARG A 870 -3.869 -12.110 -9.886 1.00 0.00 N ATOM 0 H ARG A 870 -1.413 -8.804 -3.446 1.00 0.00 H new ATOM 0 HA ARG A 870 -1.750 -7.867 -5.934 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -2.676 -9.984 -5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -3.882 -9.094 -4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -4.978 -9.768 -6.173 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -4.645 -8.058 -6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -3.470 -8.536 -8.245 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -2.287 -9.368 -7.256 1.00 0.00 H new ATOM 0 HE ARG A 870 -4.237 -11.291 -7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 870 -2.532 -9.156 -9.803 1.00 0.00 H new ATOM 0 HH12 ARG A 870 -2.629 -10.296 -11.149 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -4.365 -12.772 -9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 870 -3.670 -12.349 -10.857 1.00 0.00 H new ATOM 579 N TYR A 871 -4.037 -6.390 -4.031 1.00 0.00 N ATOM 580 CA TYR A 871 -4.875 -5.213 -3.932 1.00 0.00 C ATOM 581 C TYR A 871 -4.088 -3.982 -4.358 1.00 0.00 C ATOM 582 O TYR A 871 -4.303 -3.451 -5.446 1.00 0.00 O ATOM 583 CB TYR A 871 -5.375 -5.065 -2.498 1.00 0.00 C ATOM 584 CG TYR A 871 -6.521 -4.092 -2.356 1.00 0.00 C ATOM 585 CD1 TYR A 871 -7.628 -4.185 -3.209 1.00 0.00 C ATOM 586 CD2 TYR A 871 -6.477 -3.097 -1.372 1.00 0.00 C ATOM 587 CE1 TYR A 871 -8.690 -3.282 -3.078 1.00 0.00 C ATOM 588 CE2 TYR A 871 -7.539 -2.194 -1.241 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.646 -2.287 -2.094 1.00 0.00 C ATOM 590 OH TYR A 871 -9.680 -1.407 -1.966 1.00 0.00 O ATOM 0 H TYR A 871 -4.153 -7.054 -3.266 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.735 -5.317 -4.594 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.690 -6.041 -2.129 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.550 -4.737 -1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -7.662 -4.953 -3.968 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -5.624 -3.026 -0.714 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -9.543 -3.353 -3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -7.505 -1.426 -0.482 1.00 0.00 H new ATOM 0 HH TYR A 871 -10.147 -1.572 -1.120 1.00 0.00 H new ATOM 600 N PHE A 872 -3.173 -3.528 -3.498 1.00 0.00 N ATOM 601 CA PHE A 872 -2.361 -2.364 -3.791 1.00 0.00 C ATOM 602 C PHE A 872 -1.934 -2.387 -5.252 1.00 0.00 C ATOM 603 O PHE A 872 -2.665 -1.919 -6.122 1.00 0.00 O ATOM 604 CB PHE A 872 -1.143 -2.350 -2.872 1.00 0.00 C ATOM 605 CG PHE A 872 -0.340 -1.074 -2.954 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.262 -0.703 -4.162 1.00 0.00 C ATOM 607 CD2 PHE A 872 -0.200 -0.261 -1.823 1.00 0.00 C ATOM 608 CE1 PHE A 872 1.005 0.481 -4.239 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.543 0.923 -1.900 1.00 0.00 C ATOM 610 CZ PHE A 872 1.146 1.294 -3.108 1.00 0.00 C ATOM 0 H PHE A 872 -2.982 -3.957 -2.592 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.941 -1.458 -3.617 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -1.472 -2.497 -1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -0.498 -3.192 -3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.153 -1.330 -5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.665 -0.547 -0.891 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.469 0.767 -5.171 1.00 0.00 H new ATOM 0 HE2 PHE A 872 0.651 1.550 -1.028 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.720 2.207 -3.167 1.00 0.00 H new ATOM 620 N VAL A 873 -0.746 -2.934 -5.520 1.00 0.00 N ATOM 621 CA VAL A 873 -0.229 -3.016 -6.871 1.00 0.00 C ATOM 622 C VAL A 873 -1.383 -3.098 -7.860 1.00 0.00 C ATOM 623 O VAL A 873 -1.332 -2.490 -8.927 1.00 0.00 O ATOM 624 CB VAL A 873 0.678 -4.237 -6.995 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.274 -5.278 -5.955 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.539 -4.834 -8.393 1.00 0.00 C ATOM 0 H VAL A 873 -0.128 -3.326 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 873 0.354 -2.123 -7.097 1.00 0.00 H new ATOM 0 HB VAL A 873 1.713 -3.939 -6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 873 0.921 -6.150 -6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.373 -4.852 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.761 -5.576 -6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 873 1.187 -5.706 -8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.496 -5.132 -8.560 1.00 0.00 H new ATOM 0 HG23 VAL A 873 0.827 -4.091 -9.136 1.00 0.00 H new ATOM 636 N ALA A 874 -2.425 -3.852 -7.503 1.00 0.00 N ATOM 637 CA ALA A 874 -3.583 -4.009 -8.359 1.00 0.00 C ATOM 638 C ALA A 874 -4.196 -2.648 -8.653 1.00 0.00 C ATOM 639 O ALA A 874 -4.555 -2.360 -9.793 1.00 0.00 O ATOM 640 CB ALA A 874 -4.598 -4.923 -7.677 1.00 0.00 C ATOM 0 H ALA A 874 -2.482 -4.362 -6.621 1.00 0.00 H new ATOM 0 HA ALA A 874 -3.283 -4.461 -9.304 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.470 -5.042 -8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -4.145 -5.898 -7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -4.904 -4.483 -6.728 1.00 0.00 H new ATOM 646 N PHE A 875 -4.315 -1.808 -7.622 1.00 0.00 N ATOM 647 CA PHE A 875 -4.883 -0.484 -7.777 1.00 0.00 C ATOM 648 C PHE A 875 -4.296 0.188 -9.010 1.00 0.00 C ATOM 649 O PHE A 875 -5.020 0.809 -9.785 1.00 0.00 O ATOM 650 CB PHE A 875 -4.599 0.340 -6.524 1.00 0.00 C ATOM 651 CG PHE A 875 -5.118 -0.294 -5.256 1.00 0.00 C ATOM 652 CD1 PHE A 875 -5.615 -1.602 -5.279 1.00 0.00 C ATOM 653 CD2 PHE A 875 -5.100 0.427 -4.056 1.00 0.00 C ATOM 654 CE1 PHE A 875 -6.095 -2.190 -4.102 1.00 0.00 C ATOM 655 CE2 PHE A 875 -5.579 -0.160 -2.879 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.077 -1.469 -2.902 1.00 0.00 C ATOM 0 H PHE A 875 -4.022 -2.031 -6.671 1.00 0.00 H new ATOM 0 HA PHE A 875 -5.962 -0.560 -7.909 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.523 0.488 -6.433 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -5.048 1.327 -6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -5.628 -2.158 -6.205 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -4.716 1.436 -4.038 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -6.479 -3.199 -4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -5.565 0.396 -1.953 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.447 -1.922 -1.994 1.00 0.00 H new ATOM 666 N ASP A 876 -2.979 0.062 -9.191 1.00 0.00 N ATOM 667 CA ASP A 876 -2.304 0.657 -10.327 1.00 0.00 C ATOM 668 C ASP A 876 -0.913 1.118 -9.915 1.00 0.00 C ATOM 669 O ASP A 876 -0.246 1.829 -10.663 1.00 0.00 O ATOM 670 CB ASP A 876 -3.129 1.829 -10.852 1.00 0.00 C ATOM 671 CG ASP A 876 -4.055 1.382 -11.974 1.00 0.00 C ATOM 672 OD1 ASP A 876 -3.659 0.441 -12.696 1.00 0.00 O ATOM 673 OD2 ASP A 876 -5.141 1.990 -12.090 1.00 0.00 O ATOM 0 H ASP A 876 -2.365 -0.450 -8.558 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.201 -0.082 -11.122 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.716 2.258 -10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.464 2.613 -11.214 1.00 0.00 H new ATOM 678 N GLY A 877 -0.476 0.713 -8.720 1.00 0.00 N ATOM 679 CA GLY A 877 0.832 1.089 -8.221 1.00 0.00 C ATOM 680 C GLY A 877 1.827 -0.041 -8.443 1.00 0.00 C ATOM 681 O GLY A 877 1.781 -0.719 -9.467 1.00 0.00 O ATOM 0 H GLY A 877 -1.016 0.124 -8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 877 1.176 1.991 -8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.770 1.324 -7.159 1.00 0.00 H new ATOM 685 N ASP A 878 2.728 -0.243 -7.479 1.00 0.00 N ATOM 686 CA ASP A 878 3.728 -1.287 -7.575 1.00 0.00 C ATOM 687 C ASP A 878 4.269 -1.610 -6.189 1.00 0.00 C ATOM 688 O ASP A 878 4.162 -0.797 -5.274 1.00 0.00 O ATOM 689 CB ASP A 878 4.852 -0.831 -8.501 1.00 0.00 C ATOM 690 CG ASP A 878 4.768 -1.537 -9.847 1.00 0.00 C ATOM 691 OD1 ASP A 878 4.043 -2.553 -9.910 1.00 0.00 O ATOM 692 OD2 ASP A 878 5.431 -1.048 -10.787 1.00 0.00 O ATOM 0 H ASP A 878 2.778 0.310 -6.623 1.00 0.00 H new ATOM 0 HA ASP A 878 3.279 -2.190 -7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 878 4.793 0.248 -8.647 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.817 -1.037 -8.037 1.00 0.00 H new ATOM 697 N LEU A 879 4.852 -2.802 -6.036 1.00 0.00 N ATOM 698 CA LEU A 879 5.405 -3.225 -4.765 1.00 0.00 C ATOM 699 C LEU A 879 6.814 -3.763 -4.969 1.00 0.00 C ATOM 700 O LEU A 879 7.021 -4.687 -5.752 1.00 0.00 O ATOM 701 CB LEU A 879 4.504 -4.291 -4.149 1.00 0.00 C ATOM 702 CG LEU A 879 3.048 -3.846 -4.248 1.00 0.00 C ATOM 703 CD1 LEU A 879 2.191 -4.695 -3.313 1.00 0.00 C ATOM 704 CD2 LEU A 879 2.937 -2.378 -3.847 1.00 0.00 C ATOM 0 H LEU A 879 4.949 -3.487 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 879 5.457 -2.374 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 879 4.641 -5.241 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 879 4.776 -4.453 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 879 2.699 -3.970 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 879 1.151 -4.377 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 879 2.270 -5.744 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.539 -4.571 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 879 1.897 -2.059 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 879 3.286 -2.253 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 879 3.549 -1.771 -4.515 1.00 0.00 H new ATOM 716 N VAL A 880 7.785 -3.180 -4.261 1.00 0.00 N ATOM 717 CA VAL A 880 9.167 -3.601 -4.367 1.00 0.00 C ATOM 718 C VAL A 880 9.559 -4.396 -3.130 1.00 0.00 C ATOM 719 O VAL A 880 9.164 -4.053 -2.018 1.00 0.00 O ATOM 720 CB VAL A 880 10.061 -2.375 -4.527 1.00 0.00 C ATOM 721 CG1 VAL A 880 11.005 -2.584 -5.708 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.195 -1.144 -4.780 1.00 0.00 C ATOM 0 H VAL A 880 7.629 -2.412 -3.608 1.00 0.00 H new ATOM 0 HA VAL A 880 9.291 -4.241 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 880 10.644 -2.229 -3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.644 -1.708 -5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.624 -3.463 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.423 -2.730 -6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.833 -0.268 -4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.612 -1.290 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.520 -0.994 -3.937 1.00 0.00 H new ATOM 732 N GLN A 881 10.338 -5.463 -3.325 1.00 0.00 N ATOM 733 CA GLN A 881 10.778 -6.299 -2.226 1.00 0.00 C ATOM 734 C GLN A 881 11.716 -5.513 -1.321 1.00 0.00 C ATOM 735 O GLN A 881 12.631 -4.848 -1.801 1.00 0.00 O ATOM 736 CB GLN A 881 11.473 -7.539 -2.781 1.00 0.00 C ATOM 737 CG GLN A 881 10.592 -8.185 -3.846 1.00 0.00 C ATOM 738 CD GLN A 881 11.355 -8.356 -5.151 1.00 0.00 C ATOM 739 OE1 GLN A 881 11.870 -7.387 -5.703 1.00 0.00 O ATOM 740 NE2 GLN A 881 11.427 -9.595 -5.644 1.00 0.00 N ATOM 0 H GLN A 881 10.673 -5.762 -4.241 1.00 0.00 H new ATOM 0 HA GLN A 881 9.918 -6.613 -1.635 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.438 -7.267 -3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.669 -8.249 -1.977 1.00 0.00 H new ATOM 0 HG2 GLN A 881 10.242 -9.156 -3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 881 9.708 -7.570 -4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 881 10.983 -10.368 -5.148 1.00 0.00 H new ATOM 0 HE22 GLN A 881 11.927 -9.769 -6.516 1.00 0.00 H new ATOM 749 N GLU A 882 11.487 -5.592 -0.008 1.00 0.00 N ATOM 750 CA GLU A 882 12.314 -4.890 0.952 1.00 0.00 C ATOM 751 C GLU A 882 13.709 -4.679 0.382 1.00 0.00 C ATOM 752 O GLU A 882 14.084 -3.556 0.051 1.00 0.00 O ATOM 753 CB GLU A 882 12.376 -5.691 2.250 1.00 0.00 C ATOM 754 CG GLU A 882 13.169 -4.909 3.293 1.00 0.00 C ATOM 755 CD GLU A 882 13.919 -5.852 4.224 1.00 0.00 C ATOM 756 OE1 GLU A 882 14.221 -6.976 3.769 1.00 0.00 O ATOM 757 OE2 GLU A 882 14.175 -5.430 5.372 1.00 0.00 O ATOM 0 H GLU A 882 10.732 -6.139 0.406 1.00 0.00 H new ATOM 0 HA GLU A 882 11.880 -3.912 1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.369 -5.888 2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.845 -6.658 2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 882 13.875 -4.244 2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.494 -4.280 3.873 1.00 0.00 H new ATOM 764 N PHE A 883 14.478 -5.764 0.265 1.00 0.00 N ATOM 765 CA PHE A 883 15.824 -5.691 -0.266 1.00 0.00 C ATOM 766 C PHE A 883 15.781 -5.272 -1.728 1.00 0.00 C ATOM 767 O PHE A 883 16.762 -5.431 -2.451 1.00 0.00 O ATOM 768 CB PHE A 883 16.504 -7.049 -0.112 1.00 0.00 C ATOM 769 CG PHE A 883 15.931 -8.116 -1.014 1.00 0.00 C ATOM 770 CD1 PHE A 883 14.840 -8.881 -0.586 1.00 0.00 C ATOM 771 CD2 PHE A 883 16.493 -8.342 -2.276 1.00 0.00 C ATOM 772 CE1 PHE A 883 14.309 -9.872 -1.421 1.00 0.00 C ATOM 773 CE2 PHE A 883 15.963 -9.332 -3.111 1.00 0.00 C ATOM 774 CZ PHE A 883 14.871 -10.097 -2.684 1.00 0.00 C ATOM 0 H PHE A 883 14.182 -6.702 0.534 1.00 0.00 H new ATOM 0 HA PHE A 883 16.397 -4.947 0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.568 -6.940 -0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.416 -7.375 0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 883 14.408 -8.707 0.388 1.00 0.00 H new ATOM 0 HD2 PHE A 883 17.336 -7.752 -2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 883 13.467 -10.462 -1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 883 16.396 -9.506 -4.085 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.462 -10.861 -3.329 1.00 0.00 H new ATOM 784 N ASP A 884 14.640 -4.733 -2.163 1.00 0.00 N ATOM 785 CA ASP A 884 14.475 -4.295 -3.535 1.00 0.00 C ATOM 786 C ASP A 884 13.561 -3.079 -3.580 1.00 0.00 C ATOM 787 O ASP A 884 12.344 -3.219 -3.669 1.00 0.00 O ATOM 788 CB ASP A 884 13.898 -5.437 -4.367 1.00 0.00 C ATOM 789 CG ASP A 884 14.875 -6.602 -4.442 1.00 0.00 C ATOM 790 OD1 ASP A 884 16.093 -6.321 -4.450 1.00 0.00 O ATOM 791 OD2 ASP A 884 14.386 -7.751 -4.491 1.00 0.00 O ATOM 0 H ASP A 884 13.818 -4.592 -1.576 1.00 0.00 H new ATOM 0 HA ASP A 884 15.443 -4.014 -3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 884 12.958 -5.773 -3.929 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.672 -5.082 -5.372 1.00 0.00 H new ATOM 796 N MET A 885 14.151 -1.883 -3.520 1.00 0.00 N ATOM 797 CA MET A 885 13.386 -0.653 -3.552 1.00 0.00 C ATOM 798 C MET A 885 14.180 0.433 -4.264 1.00 0.00 C ATOM 799 O MET A 885 13.611 1.256 -4.978 1.00 0.00 O ATOM 800 CB MET A 885 13.048 -0.227 -2.127 1.00 0.00 C ATOM 801 CG MET A 885 14.105 -0.771 -1.169 1.00 0.00 C ATOM 802 SD MET A 885 13.619 -0.709 0.573 1.00 0.00 S ATOM 803 CE MET A 885 12.307 -1.956 0.553 1.00 0.00 C ATOM 0 H MET A 885 15.160 -1.749 -3.449 1.00 0.00 H new ATOM 0 HA MET A 885 12.458 -0.814 -4.100 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.007 0.860 -2.061 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.063 -0.600 -1.848 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.327 -1.804 -1.437 1.00 0.00 H new ATOM 0 HG3 MET A 885 15.026 -0.203 -1.299 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.343 -2.537 1.475 1.00 0.00 H new ATOM 0 HE2 MET A 885 11.338 -1.463 0.472 1.00 0.00 H new ATOM 0 HE3 MET A 885 12.449 -2.620 -0.300 1.00 0.00 H new ATOM 813 N THR A 886 15.501 0.434 -4.069 1.00 0.00 N ATOM 814 CA THR A 886 16.362 1.417 -4.694 1.00 0.00 C ATOM 815 C THR A 886 15.562 2.256 -5.680 1.00 0.00 C ATOM 816 O THR A 886 15.573 3.483 -5.607 1.00 0.00 O ATOM 817 CB THR A 886 17.514 0.707 -5.400 1.00 0.00 C ATOM 818 OG1 THR A 886 17.068 0.207 -6.641 1.00 0.00 O ATOM 819 CG2 THR A 886 18.007 -0.448 -4.534 1.00 0.00 C ATOM 0 H THR A 886 15.990 -0.240 -3.480 1.00 0.00 H new ATOM 0 HA THR A 886 16.771 2.081 -3.933 1.00 0.00 H new ATOM 0 HB THR A 886 18.329 1.412 -5.564 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.808 -0.247 -7.096 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.830 -0.955 -5.038 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.352 -0.062 -3.575 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.192 -1.153 -4.370 1.00 0.00 H new ATOM 827 N SER A 887 14.864 1.591 -6.603 1.00 0.00 N ATOM 828 CA SER A 887 14.062 2.277 -7.595 1.00 0.00 C ATOM 829 C SER A 887 12.622 2.381 -7.113 1.00 0.00 C ATOM 830 O SER A 887 11.832 3.142 -7.669 1.00 0.00 O ATOM 831 CB SER A 887 14.135 1.521 -8.919 1.00 0.00 C ATOM 832 OG SER A 887 15.021 2.187 -9.791 1.00 0.00 O ATOM 0 H SER A 887 14.844 0.574 -6.677 1.00 0.00 H new ATOM 0 HA SER A 887 14.448 3.285 -7.745 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.474 0.499 -8.749 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.144 1.457 -9.369 1.00 0.00 H new ATOM 0 HG SER A 887 15.070 1.702 -10.641 1.00 0.00 H new ATOM 838 N ALA A 888 12.282 1.614 -6.075 1.00 0.00 N ATOM 839 CA ALA A 888 10.942 1.624 -5.524 1.00 0.00 C ATOM 840 C ALA A 888 10.456 3.058 -5.374 1.00 0.00 C ATOM 841 O ALA A 888 11.177 3.997 -5.705 1.00 0.00 O ATOM 842 CB ALA A 888 10.942 0.910 -4.175 1.00 0.00 C ATOM 0 H ALA A 888 12.925 0.978 -5.603 1.00 0.00 H new ATOM 0 HA ALA A 888 10.264 1.100 -6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 888 9.934 0.917 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.272 -0.120 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.619 1.423 -3.492 1.00 0.00 H new ATOM 848 N THR A 889 9.229 3.227 -4.875 1.00 0.00 N ATOM 849 CA THR A 889 8.659 4.546 -4.686 1.00 0.00 C ATOM 850 C THR A 889 8.098 4.672 -3.277 1.00 0.00 C ATOM 851 O THR A 889 8.260 5.705 -2.631 1.00 0.00 O ATOM 852 CB THR A 889 7.567 4.780 -5.726 1.00 0.00 C ATOM 853 OG1 THR A 889 7.615 6.119 -6.164 1.00 0.00 O ATOM 854 CG2 THR A 889 6.202 4.498 -5.103 1.00 0.00 C ATOM 0 H THR A 889 8.617 2.460 -4.597 1.00 0.00 H new ATOM 0 HA THR A 889 9.434 5.302 -4.814 1.00 0.00 H new ATOM 0 HB THR A 889 7.724 4.114 -6.574 1.00 0.00 H new ATOM 0 HG21 THR A 889 5.422 4.665 -5.845 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.164 3.463 -4.763 1.00 0.00 H new ATOM 0 HG23 THR A 889 6.044 5.164 -4.255 1.00 0.00 H new ATOM 862 N HIS A 890 7.436 3.615 -2.800 1.00 0.00 N ATOM 863 CA HIS A 890 6.856 3.617 -1.472 1.00 0.00 C ATOM 864 C HIS A 890 7.339 2.402 -0.692 1.00 0.00 C ATOM 865 O HIS A 890 7.841 1.445 -1.277 1.00 0.00 O ATOM 866 CB HIS A 890 5.334 3.617 -1.584 1.00 0.00 C ATOM 867 CG HIS A 890 4.777 4.971 -1.928 1.00 0.00 C ATOM 868 ND1 HIS A 890 5.308 5.860 -2.834 1.00 0.00 N ATOM 869 CD2 HIS A 890 3.652 5.540 -1.395 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.512 6.944 -2.844 1.00 0.00 C ATOM 871 NE2 HIS A 890 3.490 6.797 -1.984 1.00 0.00 N ATOM 0 HA HIS A 890 7.170 4.513 -0.937 1.00 0.00 H new ATOM 0 HB2 HIS A 890 5.030 2.899 -2.346 1.00 0.00 H new ATOM 0 HB3 HIS A 890 4.904 3.281 -0.640 1.00 0.00 H new ATOM 0 HD2 HIS A 890 3.005 5.097 -0.652 1.00 0.00 H new ATOM 0 HE1 HIS A 890 4.673 7.816 -3.461 1.00 0.00 H new ATOM 0 HE2 HIS A 890 2.745 7.468 -1.798 1.00 0.00 H new ATOM 879 N VAL A 891 7.185 2.443 0.634 1.00 0.00 N ATOM 880 CA VAL A 891 7.605 1.349 1.487 1.00 0.00 C ATOM 881 C VAL A 891 6.724 1.296 2.727 1.00 0.00 C ATOM 882 O VAL A 891 6.618 2.279 3.458 1.00 0.00 O ATOM 883 CB VAL A 891 9.069 1.538 1.871 1.00 0.00 C ATOM 884 CG1 VAL A 891 9.956 1.209 0.673 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.302 2.986 2.293 1.00 0.00 C ATOM 0 H VAL A 891 6.770 3.229 1.134 1.00 0.00 H new ATOM 0 HA VAL A 891 7.503 0.405 0.952 1.00 0.00 H new ATOM 0 HB VAL A 891 9.315 0.874 2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.002 1.344 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 891 9.791 0.175 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 891 9.709 1.873 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.348 3.121 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.055 3.650 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.669 3.222 3.148 1.00 0.00 H new ATOM 895 N LEU A 892 6.092 0.145 2.964 1.00 0.00 N ATOM 896 CA LEU A 892 5.226 -0.031 4.112 1.00 0.00 C ATOM 897 C LEU A 892 6.065 -0.198 5.371 1.00 0.00 C ATOM 898 O LEU A 892 6.894 -1.102 5.452 1.00 0.00 O ATOM 899 CB LEU A 892 4.331 -1.247 3.894 1.00 0.00 C ATOM 900 CG LEU A 892 2.879 -0.866 4.162 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.008 -1.324 2.996 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.405 -1.539 5.447 1.00 0.00 C ATOM 0 H LEU A 892 6.170 -0.679 2.367 1.00 0.00 H new ATOM 0 HA LEU A 892 4.595 0.850 4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.439 -1.613 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.633 -2.058 4.557 1.00 0.00 H new ATOM 0 HG LEU A 892 2.802 0.216 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 892 0.970 -1.051 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.346 -0.842 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 892 2.085 -2.406 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.367 -1.267 5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.483 -2.621 5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.026 -1.211 6.280 1.00 0.00 H new ATOM 914 N GLY A 893 5.848 0.676 6.357 1.00 0.00 N ATOM 915 CA GLY A 893 6.586 0.617 7.603 1.00 0.00 C ATOM 916 C GLY A 893 8.081 0.544 7.327 1.00 0.00 C ATOM 917 O GLY A 893 8.568 -0.448 6.788 1.00 0.00 O ATOM 0 H GLY A 893 5.164 1.431 6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.363 1.496 8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 893 6.272 -0.254 8.179 1.00 0.00 H new ATOM 921 N SER A 894 8.810 1.599 7.698 1.00 0.00 N ATOM 922 CA SER A 894 10.243 1.648 7.491 1.00 0.00 C ATOM 923 C SER A 894 10.544 2.109 6.072 1.00 0.00 C ATOM 924 O SER A 894 9.657 2.125 5.220 1.00 0.00 O ATOM 925 CB SER A 894 10.841 0.268 7.749 1.00 0.00 C ATOM 926 OG SER A 894 10.594 -0.109 9.085 1.00 0.00 O ATOM 0 H SER A 894 8.421 2.430 8.144 1.00 0.00 H new ATOM 0 HA SER A 894 10.690 2.359 8.185 1.00 0.00 H new ATOM 0 HB2 SER A 894 10.405 -0.462 7.067 1.00 0.00 H new ATOM 0 HB3 SER A 894 11.914 0.283 7.557 1.00 0.00 H new ATOM 0 HG SER A 894 10.976 -0.996 9.251 1.00 0.00 H new ATOM 932 N ARG A 895 11.799 2.485 5.818 1.00 0.00 N ATOM 933 CA ARG A 895 12.211 2.944 4.507 1.00 0.00 C ATOM 934 C ARG A 895 13.628 2.471 4.216 1.00 0.00 C ATOM 935 O ARG A 895 13.966 2.186 3.069 1.00 0.00 O ATOM 936 CB ARG A 895 12.129 4.467 4.454 1.00 0.00 C ATOM 937 CG ARG A 895 12.895 5.060 5.633 1.00 0.00 C ATOM 938 CD ARG A 895 13.136 6.547 5.388 1.00 0.00 C ATOM 939 NE ARG A 895 14.556 6.875 5.505 1.00 0.00 N ATOM 940 CZ ARG A 895 15.015 8.134 5.475 1.00 0.00 C ATOM 941 NH1 ARG A 895 14.160 9.156 5.333 1.00 0.00 N ATOM 942 NH2 ARG A 895 16.330 8.371 5.586 1.00 0.00 N ATOM 0 H ARG A 895 12.545 2.477 6.513 1.00 0.00 H new ATOM 0 HA ARG A 895 11.548 2.530 3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 895 12.546 4.832 3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.087 4.787 4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.330 4.919 6.555 1.00 0.00 H new ATOM 0 HG3 ARG A 895 13.846 4.543 5.760 1.00 0.00 H new ATOM 0 HD2 ARG A 895 12.777 6.818 4.395 1.00 0.00 H new ATOM 0 HD3 ARG A 895 12.563 7.135 6.105 1.00 0.00 H new ATOM 0 HE ARG A 895 15.226 6.113 5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 895 13.160 8.976 5.248 1.00 0.00 H new ATOM 0 HH12 ARG A 895 14.510 10.114 5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 895 16.981 7.593 5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 895 16.679 9.329 5.563 1.00 0.00 H new ATOM 956 N ASP A 896 14.457 2.387 5.259 1.00 0.00 N ATOM 957 CA ASP A 896 15.831 1.949 5.109 1.00 0.00 C ATOM 958 C ASP A 896 16.029 1.337 3.730 1.00 0.00 C ATOM 959 O ASP A 896 16.579 1.979 2.838 1.00 0.00 O ATOM 960 CB ASP A 896 16.163 0.938 6.203 1.00 0.00 C ATOM 961 CG ASP A 896 17.319 0.042 5.781 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.196 0.553 5.051 1.00 0.00 O ATOM 963 OD2 ASP A 896 17.305 -1.136 6.198 1.00 0.00 O ATOM 0 H ASP A 896 14.192 2.619 6.216 1.00 0.00 H new ATOM 0 HA ASP A 896 16.502 2.802 5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.421 1.463 7.123 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.285 0.329 6.419 1.00 0.00 H new ATOM 968 N LYS A 897 15.579 0.092 3.556 1.00 0.00 N ATOM 969 CA LYS A 897 15.710 -0.596 2.288 1.00 0.00 C ATOM 970 C LYS A 897 15.649 0.407 1.145 1.00 0.00 C ATOM 971 O LYS A 897 16.317 0.235 0.128 1.00 0.00 O ATOM 972 CB LYS A 897 14.599 -1.634 2.156 1.00 0.00 C ATOM 973 CG LYS A 897 13.640 -1.505 3.336 1.00 0.00 C ATOM 974 CD LYS A 897 12.680 -0.345 3.087 1.00 0.00 C ATOM 975 CE LYS A 897 12.040 0.078 4.406 1.00 0.00 C ATOM 976 NZ LYS A 897 10.647 0.504 4.203 1.00 0.00 N ATOM 0 H LYS A 897 15.121 -0.454 4.285 1.00 0.00 H new ATOM 0 HA LYS A 897 16.673 -1.105 2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.061 -1.490 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 897 15.025 -2.637 2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.081 -2.432 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.199 -1.337 4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.215 0.495 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 897 11.910 -0.643 2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.071 -0.752 5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.613 0.894 4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.127 0.429 5.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.630 1.491 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.198 -0.106 3.490 1.00 0.00 H new ATOM 990 N ASN A 898 14.843 1.458 1.314 1.00 0.00 N ATOM 991 CA ASN A 898 14.700 2.481 0.298 1.00 0.00 C ATOM 992 C ASN A 898 14.187 3.769 0.926 1.00 0.00 C ATOM 993 O ASN A 898 12.986 3.929 1.128 1.00 0.00 O ATOM 994 CB ASN A 898 13.743 1.990 -0.785 1.00 0.00 C ATOM 995 CG ASN A 898 14.394 2.064 -2.159 1.00 0.00 C ATOM 996 OD1 ASN A 898 15.560 1.709 -2.316 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.635 2.526 -3.156 1.00 0.00 N ATOM 0 H ASN A 898 14.281 1.615 2.151 1.00 0.00 H new ATOM 0 HA ASN A 898 15.670 2.684 -0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.445 0.963 -0.574 1.00 0.00 H new ATOM 0 HB3 ASN A 898 12.836 2.594 -0.775 1.00 0.00 H new ATOM 0 HD21 ASN A 898 14.019 2.596 -4.099 1.00 0.00 H new ATOM 0 HD22 ASN A 898 12.672 2.808 -2.975 1.00 0.00 H new ATOM 1004 N PRO A 899 15.104 4.689 1.236 1.00 0.00 N ATOM 1005 CA PRO A 899 14.802 5.971 1.836 1.00 0.00 C ATOM 1006 C PRO A 899 14.141 6.874 0.806 1.00 0.00 C ATOM 1007 O PRO A 899 13.602 7.924 1.152 1.00 0.00 O ATOM 1008 CB PRO A 899 16.157 6.530 2.265 1.00 0.00 C ATOM 1009 CG PRO A 899 17.114 5.924 1.239 1.00 0.00 C ATOM 1010 CD PRO A 899 16.525 4.534 1.013 1.00 0.00 C ATOM 0 HA PRO A 899 14.115 5.894 2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.172 7.620 2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.413 6.233 3.282 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.143 6.507 0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.135 5.875 1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 899 16.730 4.178 0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 899 16.955 3.806 1.701 1.00 0.00 H new ATOM 1018 N ALA A 900 14.183 6.465 -0.464 1.00 0.00 N ATOM 1019 CA ALA A 900 13.591 7.239 -1.537 1.00 0.00 C ATOM 1020 C ALA A 900 12.132 6.845 -1.712 1.00 0.00 C ATOM 1021 O ALA A 900 11.436 7.396 -2.562 1.00 0.00 O ATOM 1022 CB ALA A 900 14.374 7.001 -2.826 1.00 0.00 C ATOM 0 H ALA A 900 14.625 5.597 -0.767 1.00 0.00 H new ATOM 0 HA ALA A 900 13.633 8.300 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 900 13.930 7.582 -3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.410 7.309 -2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.342 5.942 -3.081 1.00 0.00 H new ATOM 1028 N ALA A 901 11.669 5.889 -0.903 1.00 0.00 N ATOM 1029 CA ALA A 901 10.297 5.427 -0.973 1.00 0.00 C ATOM 1030 C ALA A 901 9.445 6.187 0.033 1.00 0.00 C ATOM 1031 O ALA A 901 9.782 7.306 0.414 1.00 0.00 O ATOM 1032 CB ALA A 901 10.252 3.927 -0.696 1.00 0.00 C ATOM 0 H ALA A 901 12.233 5.424 -0.192 1.00 0.00 H new ATOM 0 HA ALA A 901 9.897 5.611 -1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.221 3.578 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 901 10.851 3.402 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 901 10.652 3.728 0.298 1.00 0.00 H new ATOM 1038 N GLN A 902 8.338 5.577 0.462 1.00 0.00 N ATOM 1039 CA GLN A 902 7.445 6.199 1.419 1.00 0.00 C ATOM 1040 C GLN A 902 7.209 5.259 2.593 1.00 0.00 C ATOM 1041 O GLN A 902 6.938 4.076 2.398 1.00 0.00 O ATOM 1042 CB GLN A 902 6.128 6.546 0.731 1.00 0.00 C ATOM 1043 CG GLN A 902 6.256 7.899 0.038 1.00 0.00 C ATOM 1044 CD GLN A 902 6.697 8.973 1.022 1.00 0.00 C ATOM 1045 OE1 GLN A 902 7.313 9.962 0.630 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.380 8.777 2.304 1.00 0.00 N ATOM 0 H GLN A 902 8.045 4.649 0.155 1.00 0.00 H new ATOM 0 HA GLN A 902 7.895 7.116 1.800 1.00 0.00 H new ATOM 0 HB2 GLN A 902 5.872 5.776 0.003 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.320 6.575 1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 902 6.977 7.828 -0.777 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.300 8.177 -0.406 1.00 0.00 H new ATOM 0 HE21 GLN A 902 5.867 7.940 2.580 1.00 0.00 H new ATOM 0 HE22 GLN A 902 6.650 9.465 3.007 1.00 0.00 H new ATOM 1055 N GLN A 903 7.311 5.788 3.814 1.00 0.00 N ATOM 1056 CA GLN A 903 7.110 4.995 5.010 1.00 0.00 C ATOM 1057 C GLN A 903 5.638 5.009 5.397 1.00 0.00 C ATOM 1058 O GLN A 903 5.279 5.501 6.464 1.00 0.00 O ATOM 1059 CB GLN A 903 7.971 5.554 6.139 1.00 0.00 C ATOM 1060 CG GLN A 903 9.429 5.170 5.905 1.00 0.00 C ATOM 1061 CD GLN A 903 10.310 6.409 5.823 1.00 0.00 C ATOM 1062 OE1 GLN A 903 10.852 6.855 6.832 1.00 0.00 O ATOM 1063 NE2 GLN A 903 10.450 6.964 4.617 1.00 0.00 N ATOM 0 H GLN A 903 7.533 6.768 3.992 1.00 0.00 H new ATOM 0 HA GLN A 903 7.405 3.963 4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 903 7.872 6.639 6.183 1.00 0.00 H new ATOM 0 HB3 GLN A 903 7.630 5.164 7.098 1.00 0.00 H new ATOM 0 HG2 GLN A 903 9.774 4.526 6.714 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.515 4.596 4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 903 9.979 6.555 3.810 1.00 0.00 H new ATOM 0 HE22 GLN A 903 11.028 7.797 4.503 1.00 0.00 H new ATOM 1072 N VAL A 904 4.785 4.466 4.525 1.00 0.00 N ATOM 1073 CA VAL A 904 3.359 4.418 4.778 1.00 0.00 C ATOM 1074 C VAL A 904 3.029 3.204 5.634 1.00 0.00 C ATOM 1075 O VAL A 904 3.886 2.354 5.866 1.00 0.00 O ATOM 1076 CB VAL A 904 2.608 4.365 3.450 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.563 4.713 2.312 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.053 2.960 3.237 1.00 0.00 C ATOM 0 H VAL A 904 5.068 4.054 3.636 1.00 0.00 H new ATOM 0 HA VAL A 904 3.051 5.313 5.318 1.00 0.00 H new ATOM 0 HB VAL A 904 1.787 5.082 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.028 4.675 1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 904 3.961 5.716 2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.384 3.996 2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.516 2.921 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 904 2.874 2.243 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.371 2.711 4.050 1.00 0.00 H new ATOM 1088 N SER A 905 1.781 3.123 6.103 1.00 0.00 N ATOM 1089 CA SER A 905 1.346 2.014 6.928 1.00 0.00 C ATOM 1090 C SER A 905 0.049 1.439 6.377 1.00 0.00 C ATOM 1091 O SER A 905 -0.349 1.758 5.259 1.00 0.00 O ATOM 1092 CB SER A 905 1.159 2.493 8.365 1.00 0.00 C ATOM 1093 OG SER A 905 1.819 1.609 9.243 1.00 0.00 O ATOM 0 H SER A 905 1.059 3.819 5.920 1.00 0.00 H new ATOM 0 HA SER A 905 2.102 1.228 6.917 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.558 3.501 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 905 0.098 2.540 8.609 1.00 0.00 H new ATOM 0 HG SER A 905 1.701 1.916 10.166 1.00 0.00 H new ATOM 1099 N PRO A 906 -0.611 0.589 7.168 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.859 -0.052 6.814 1.00 0.00 C ATOM 1101 C PRO A 906 -2.987 0.969 6.851 1.00 0.00 C ATOM 1102 O PRO A 906 -3.987 0.819 6.154 1.00 0.00 O ATOM 1103 CB PRO A 906 -2.061 -1.130 7.877 1.00 0.00 C ATOM 1104 CG PRO A 906 -1.368 -0.531 9.101 1.00 0.00 C ATOM 1105 CD PRO A 906 -0.172 0.192 8.488 1.00 0.00 C ATOM 0 HA PRO A 906 -1.848 -0.477 5.810 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -3.118 -1.321 8.064 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -1.612 -2.079 7.582 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -2.021 0.154 9.642 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -1.057 -1.301 9.808 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.115 1.057 9.085 1.00 0.00 H new ATOM 0 HD3 PRO A 906 0.699 -0.461 8.434 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.824 2.011 7.670 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.829 3.048 7.793 1.00 0.00 C ATOM 1115 C GLU A 907 -3.824 3.926 6.549 1.00 0.00 C ATOM 1116 O GLU A 907 -4.850 4.493 6.182 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.551 3.879 9.042 1.00 0.00 C ATOM 1118 CG GLU A 907 -4.145 3.180 10.261 1.00 0.00 C ATOM 1119 CD GLU A 907 -3.620 1.756 10.380 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -2.560 1.594 11.022 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -4.288 0.857 9.826 1.00 0.00 O ATOM 0 H GLU A 907 -2.001 2.151 8.255 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.815 2.593 7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.477 4.011 9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -3.983 4.874 8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -3.897 3.740 11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -5.232 3.166 10.183 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.663 4.037 5.899 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.535 4.842 4.701 1.00 0.00 C ATOM 1130 C TRP A 908 -3.309 4.199 3.559 1.00 0.00 C ATOM 1131 O TRP A 908 -4.057 4.875 2.856 1.00 0.00 O ATOM 1132 CB TRP A 908 -1.059 4.985 4.341 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.785 5.800 3.118 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.730 7.149 3.075 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.528 5.347 1.753 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.459 7.559 1.786 1.00 0.00 N ATOM 1137 CE2 TRP A 908 -0.324 6.486 0.929 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.447 4.089 1.128 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 -0.055 6.386 -0.439 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 -0.177 3.978 -0.243 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.019 5.120 -1.028 1.00 0.00 C ATOM 0 H TRP A 908 -1.801 3.575 6.190 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.950 5.834 4.880 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.536 5.436 5.185 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.637 3.990 4.199 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.876 7.806 3.920 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.370 8.534 1.502 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.595 3.194 1.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.094 7.275 -1.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 -0.120 3.000 -0.699 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.226 5.024 -2.084 1.00 0.00 H new ATOM 1152 N ILE A 909 -3.128 2.889 3.377 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.808 2.160 2.326 1.00 0.00 C ATOM 1154 C ILE A 909 -5.307 2.410 2.414 1.00 0.00 C ATOM 1155 O ILE A 909 -5.933 2.791 1.427 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.498 0.672 2.457 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -2.257 0.336 1.635 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.683 -0.142 1.945 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -1.171 -0.214 2.555 1.00 0.00 C ATOM 0 H ILE A 909 -2.510 2.316 3.952 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.459 2.505 1.353 1.00 0.00 H new ATOM 0 HB ILE A 909 -3.316 0.430 3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.504 -0.397 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.896 1.227 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.462 -1.205 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.570 0.097 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.865 0.100 0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.284 -0.454 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.917 0.534 3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.534 -1.115 3.049 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.883 2.193 3.598 1.00 0.00 N ATOM 1172 CA TRP A 910 -7.303 2.398 3.803 1.00 0.00 C ATOM 1173 C TRP A 910 -7.653 3.863 3.578 1.00 0.00 C ATOM 1174 O TRP A 910 -8.477 4.182 2.725 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.680 1.963 5.216 1.00 0.00 C ATOM 1176 CG TRP A 910 -7.053 0.684 5.670 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -6.330 0.528 6.800 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -7.075 -0.626 5.026 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.906 -0.781 6.899 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.337 -1.537 5.829 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.642 -1.138 3.845 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -6.171 -2.881 5.482 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.481 -2.484 3.487 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -6.749 -3.357 4.301 1.00 0.00 C ATOM 0 H TRP A 910 -5.380 1.875 4.426 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.867 1.798 3.089 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -7.400 2.755 5.911 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.764 1.859 5.271 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -6.117 1.308 7.516 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -5.343 -1.145 7.668 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -8.211 -0.483 3.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.603 -3.544 6.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -7.926 -2.851 2.574 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -6.631 -4.393 4.018 1.00 0.00 H new ATOM 1195 N ALA A 911 -7.023 4.753 4.348 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.270 6.176 4.230 1.00 0.00 C ATOM 1197 C ALA A 911 -7.091 6.612 2.784 1.00 0.00 C ATOM 1198 O ALA A 911 -7.794 7.502 2.310 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.314 6.934 5.147 1.00 0.00 C ATOM 0 H ALA A 911 -6.337 4.503 5.060 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.294 6.398 4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.498 8.005 5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.475 6.621 6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.285 6.718 4.858 1.00 0.00 H new ATOM 1205 N CYS A 912 -6.145 5.983 2.082 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.875 6.304 0.695 1.00 0.00 C ATOM 1207 C CYS A 912 -6.980 5.736 -0.184 1.00 0.00 C ATOM 1208 O CYS A 912 -7.812 6.482 -0.696 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.517 5.733 0.296 1.00 0.00 C ATOM 1210 SG CYS A 912 -3.233 6.550 1.277 1.00 0.00 S ATOM 0 H CYS A 912 -5.554 5.244 2.463 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.850 7.386 0.563 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -4.495 4.657 0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.338 5.891 -0.767 1.00 0.00 H new ATOM 0 HG CYS A 912 -2.064 6.114 0.911 1.00 0.00 H new ATOM 1216 N ILE A 913 -6.987 4.412 -0.359 1.00 0.00 N ATOM 1217 CA ILE A 913 -7.988 3.752 -1.173 1.00 0.00 C ATOM 1218 C ILE A 913 -9.367 4.307 -0.845 1.00 0.00 C ATOM 1219 O ILE A 913 -10.236 4.366 -1.711 1.00 0.00 O ATOM 1220 CB ILE A 913 -7.935 2.247 -0.922 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -9.071 1.565 -1.679 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -8.085 1.976 0.573 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -8.772 0.073 -1.806 1.00 0.00 C ATOM 0 H ILE A 913 -6.303 3.781 0.058 1.00 0.00 H new ATOM 0 HA ILE A 913 -7.786 3.938 -2.228 1.00 0.00 H new ATOM 0 HB ILE A 913 -6.980 1.854 -1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -10.014 1.715 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -9.183 2.010 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -8.047 0.902 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -7.274 2.464 1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -9.041 2.369 0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -9.583 -0.416 -2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -7.838 -0.066 -2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -8.682 -0.366 -0.812 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.565 4.714 0.411 1.00 0.00 N ATOM 1236 CA ARG A 914 -10.834 5.260 0.847 1.00 0.00 C ATOM 1237 C ARG A 914 -10.987 6.684 0.332 1.00 0.00 C ATOM 1238 O ARG A 914 -12.101 7.141 0.086 1.00 0.00 O ATOM 1239 CB ARG A 914 -10.905 5.226 2.371 1.00 0.00 C ATOM 1240 CG ARG A 914 -12.280 5.705 2.827 1.00 0.00 C ATOM 1241 CD ARG A 914 -12.146 6.453 4.150 1.00 0.00 C ATOM 1242 NE ARG A 914 -12.981 7.654 4.162 1.00 0.00 N ATOM 1243 CZ ARG A 914 -13.029 8.495 5.204 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -12.290 8.252 6.295 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -13.816 9.579 5.155 1.00 0.00 N ATOM 0 H ARG A 914 -8.853 4.672 1.141 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.650 4.660 0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -10.723 4.214 2.732 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -10.128 5.861 2.796 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -12.719 6.357 2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -12.952 4.855 2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -12.433 5.798 4.972 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -11.104 6.729 4.312 1.00 0.00 H new ATOM 0 HE ARG A 914 -13.551 7.860 3.342 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -11.691 7.427 6.332 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -12.326 8.892 7.088 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -14.378 9.764 4.324 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -13.852 10.219 5.948 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.863 7.386 0.169 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.879 8.752 -0.315 1.00 0.00 C ATOM 1261 C LYS A 915 -9.745 8.765 -1.832 1.00 0.00 C ATOM 1262 O LYS A 915 -9.701 9.830 -2.444 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.743 9.535 0.335 1.00 0.00 C ATOM 1264 CG LYS A 915 -9.016 9.682 1.829 1.00 0.00 C ATOM 1265 CD LYS A 915 -9.997 10.828 2.057 1.00 0.00 C ATOM 1266 CE LYS A 915 -10.390 10.876 3.531 1.00 0.00 C ATOM 1267 NZ LYS A 915 -9.280 11.376 4.357 1.00 0.00 N ATOM 0 H LYS A 915 -8.931 7.022 0.368 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.825 9.224 -0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.795 9.020 0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -8.653 10.518 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.426 8.754 2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -8.085 9.875 2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -9.544 11.774 1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -10.883 10.691 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -11.261 11.519 3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -10.678 9.880 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -9.604 11.495 5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -8.495 10.695 4.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -8.956 12.292 3.986 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.679 7.577 -2.436 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.549 7.457 -3.875 1.00 0.00 C ATOM 1283 C ARG A 916 -8.362 8.280 -4.355 1.00 0.00 C ATOM 1284 O ARG A 916 -8.185 8.475 -5.556 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.838 7.927 -4.542 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.871 6.804 -4.499 1.00 0.00 C ATOM 1287 CD ARG A 916 -12.230 6.498 -3.048 1.00 0.00 C ATOM 1288 NE ARG A 916 -12.873 7.649 -2.412 1.00 0.00 N ATOM 1289 CZ ARG A 916 -13.770 7.524 -1.424 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -14.111 6.308 -0.978 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -14.326 8.617 -0.882 1.00 0.00 N ATOM 0 H ARG A 916 -9.714 6.686 -1.942 1.00 0.00 H new ATOM 0 HA ARG A 916 -9.376 6.415 -4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -11.223 8.810 -4.032 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.642 8.216 -5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -12.764 7.096 -5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -11.474 5.911 -4.983 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -12.897 5.637 -3.009 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -11.329 6.229 -2.496 1.00 0.00 H new ATOM 0 HE ARG A 916 -12.628 8.585 -2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -13.688 5.476 -1.390 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -14.794 6.214 -0.226 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -14.066 9.543 -1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -15.009 8.522 -0.130 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.549 8.764 -3.414 1.00 0.00 N ATOM 1306 CA ARG A 917 -6.386 9.563 -3.744 1.00 0.00 C ATOM 1307 C ARG A 917 -5.340 9.431 -2.646 1.00 0.00 C ATOM 1308 O ARG A 917 -5.622 9.707 -1.482 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.804 11.020 -3.920 1.00 0.00 C ATOM 1310 CG ARG A 917 -6.788 11.721 -2.564 1.00 0.00 C ATOM 1311 CD ARG A 917 -5.359 12.130 -2.220 1.00 0.00 C ATOM 1312 NE ARG A 917 -5.232 13.586 -2.152 1.00 0.00 N ATOM 1313 CZ ARG A 917 -4.049 14.214 -2.197 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -2.918 13.505 -2.309 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -3.997 15.551 -2.129 1.00 0.00 N ATOM 0 H ARG A 917 -7.683 8.611 -2.414 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.950 9.208 -4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -6.126 11.523 -4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -7.801 11.073 -4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -7.433 12.599 -2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -7.183 11.057 -1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -5.071 11.691 -1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -4.674 11.736 -2.971 1.00 0.00 H new ATOM 0 HE ARG A 917 -6.080 14.147 -2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -2.957 12.487 -2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -2.018 13.983 -2.343 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -4.858 16.091 -2.043 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -3.096 16.029 -2.163 1.00 0.00 H new ATOM 1329 N LEU A 918 -4.130 9.009 -3.019 1.00 0.00 N ATOM 1330 CA LEU A 918 -3.050 8.843 -2.066 1.00 0.00 C ATOM 1331 C LEU A 918 -3.073 9.983 -1.057 1.00 0.00 C ATOM 1332 O LEU A 918 -3.052 11.151 -1.436 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.718 8.806 -2.809 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.494 7.410 -3.382 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -2.502 6.441 -2.770 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -1.678 7.446 -4.896 1.00 0.00 C ATOM 0 H LEU A 918 -3.881 8.777 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 918 -3.177 7.904 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.716 9.544 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.905 9.068 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.483 7.079 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -2.342 5.443 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -2.371 6.415 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -3.514 6.772 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -1.518 6.449 -5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -2.689 7.777 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -0.958 8.138 -5.334 1.00 0.00 H new ATOM 1348 N VAL A 919 -3.115 9.639 0.232 1.00 0.00 N ATOM 1349 CA VAL A 919 -3.140 10.631 1.288 1.00 0.00 C ATOM 1350 C VAL A 919 -1.747 10.787 1.881 1.00 0.00 C ATOM 1351 O VAL A 919 -0.757 10.425 1.248 1.00 0.00 O ATOM 1352 CB VAL A 919 -4.140 10.206 2.361 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -5.239 9.360 1.725 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -3.421 9.388 3.429 1.00 0.00 C ATOM 0 H VAL A 919 -3.132 8.674 0.562 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.451 11.593 0.881 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.582 11.091 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.953 9.056 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.752 9.944 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.798 8.474 1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -4.134 9.084 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.979 8.502 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.636 9.992 3.883 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.672 11.328 3.099 1.00 0.00 N ATOM 1365 CA ALA A 920 -0.403 11.529 3.769 1.00 0.00 C ATOM 1366 C ALA A 920 0.146 10.193 4.247 1.00 0.00 C ATOM 1367 O ALA A 920 -0.430 9.564 5.132 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.595 12.486 4.942 1.00 0.00 C ATOM 0 H ALA A 920 -2.484 11.633 3.636 1.00 0.00 H new ATOM 0 HA ALA A 920 0.315 11.965 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.359 12.638 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.968 13.442 4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -1.314 12.062 5.644 1.00 0.00 H new ATOM 1374 N PRO A 921 1.263 9.759 3.659 1.00 0.00 N ATOM 1375 CA PRO A 921 1.927 8.515 3.984 1.00 0.00 C ATOM 1376 C PRO A 921 2.605 8.638 5.341 1.00 0.00 C ATOM 1377 O PRO A 921 3.337 9.594 5.587 1.00 0.00 O ATOM 1378 CB PRO A 921 2.957 8.319 2.874 1.00 0.00 C ATOM 1379 CG PRO A 921 3.306 9.753 2.478 1.00 0.00 C ATOM 1380 CD PRO A 921 1.967 10.474 2.615 1.00 0.00 C ATOM 0 HA PRO A 921 1.240 7.671 4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 921 3.832 7.772 3.226 1.00 0.00 H new ATOM 0 HB3 PRO A 921 2.546 7.757 2.036 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.065 10.181 3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 921 3.694 9.809 1.461 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.108 11.522 2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.410 10.454 1.678 1.00 0.00 H new ATOM 1388 N CYS A 922 2.357 7.667 6.223 1.00 0.00 N ATOM 1389 CA CYS A 922 2.940 7.667 7.550 1.00 0.00 C ATOM 1390 C CYS A 922 2.632 6.346 8.241 1.00 0.00 C ATOM 1391 O CYS A 922 2.841 5.280 7.666 1.00 0.00 O ATOM 1392 CB CYS A 922 2.383 8.840 8.350 1.00 0.00 C ATOM 1393 SG CYS A 922 3.567 9.271 9.650 1.00 0.00 S ATOM 0 H CYS A 922 1.751 6.869 6.032 1.00 0.00 H new ATOM 0 HA CYS A 922 4.022 7.777 7.480 1.00 0.00 H new ATOM 0 HB2 CYS A 922 2.211 9.695 7.697 1.00 0.00 H new ATOM 0 HB3 CYS A 922 1.421 8.575 8.788 1.00 0.00 H new ATOM 0 HG CYS A 922 3.108 10.272 10.341 1.00 0.00 H new TER 1399 CYS A 922