USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=19 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 890 HIS H : A 890 HIS N : A 855 ARG O :(H bumps) USER MOD Single : A 840 THR OG1 : rot 180:sc= 0 USER MOD Single : A 842 CYS SG : rot 88:sc= -1.17! USER MOD Single : A 843 GLN : amide:sc= -0.326 K(o=-0.33,f=-2.4!) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ 149:sc= -2.65! (180deg=-4.17!) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.0262 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -150:sc= -0.142 USER MOD Single : A 866 SER OG : rot 180:sc= 0 USER MOD Single : A 871 TYR OH : rot 164:sc= -23.9! USER MOD Single : A 881 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.32) USER MOD Single : A 885 MET CE :methyl -107:sc= -19.6! (180deg=-27.4!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.349 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 889 THR OG1 : rot -150:sc= -0.497 USER MOD Single : A 890 HIS : no HD1:sc= -13.7! C(o=-14!,f=-17!) USER MOD Single : A 894 SER OG : rot 180:sc= 0 USER MOD Single : A 897 LYS NZ :NH3+ 158:sc= -17.6! (180deg=-19.2!) USER MOD Single : A 898 ASN : amide:sc= -22.3! C(o=-22!,f=-24!) USER MOD Single : A 902 GLN : amide:sc= -3.37! C(o=-3.4!,f=-1.1!) USER MOD Single : A 903 GLN : amide:sc= -13.5! C(o=-14!,f=-14!) USER MOD Single : A 905 SER OG : rot 180:sc= -0.802! USER MOD Single : A 912 CYS SG : rot -152:sc= -14.6! USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 CYS SG : rot -73:sc= 0.071 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 837 -11.084 -2.893 6.717 1.00 0.00 N ATOM 20 CA ALA A 837 -11.013 -3.779 5.573 1.00 0.00 C ATOM 21 C ALA A 837 -12.383 -4.384 5.303 1.00 0.00 C ATOM 22 O ALA A 837 -13.011 -4.077 4.292 1.00 0.00 O ATOM 23 CB ALA A 837 -9.982 -4.872 5.840 1.00 0.00 C ATOM 0 HA ALA A 837 -10.706 -3.216 4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -9.928 -5.539 4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -9.006 -4.418 6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -10.275 -5.441 6.722 1.00 0.00 H new ATOM 29 N ASP A 838 -12.846 -5.246 6.210 1.00 0.00 N ATOM 30 CA ASP A 838 -14.137 -5.889 6.065 1.00 0.00 C ATOM 31 C ASP A 838 -15.145 -4.899 5.502 1.00 0.00 C ATOM 32 O ASP A 838 -15.920 -5.238 4.610 1.00 0.00 O ATOM 33 CB ASP A 838 -14.597 -6.417 7.421 1.00 0.00 C ATOM 34 CG ASP A 838 -13.891 -7.721 7.765 1.00 0.00 C ATOM 35 OD1 ASP A 838 -12.715 -7.853 7.363 1.00 0.00 O ATOM 36 OD2 ASP A 838 -14.541 -8.562 8.424 1.00 0.00 O ATOM 0 H ASP A 838 -12.337 -5.511 7.054 1.00 0.00 H new ATOM 0 HA ASP A 838 -14.055 -6.727 5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -14.394 -5.674 8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -15.675 -6.575 7.407 1.00 0.00 H new ATOM 41 N GLU A 839 -15.135 -3.670 6.024 1.00 0.00 N ATOM 42 CA GLU A 839 -16.047 -2.640 5.568 1.00 0.00 C ATOM 43 C GLU A 839 -15.550 -2.050 4.256 1.00 0.00 C ATOM 44 O GLU A 839 -16.345 -1.589 3.439 1.00 0.00 O ATOM 45 CB GLU A 839 -16.166 -1.558 6.637 1.00 0.00 C ATOM 46 CG GLU A 839 -17.544 -1.635 7.288 1.00 0.00 C ATOM 47 CD GLU A 839 -18.384 -0.419 6.925 1.00 0.00 C ATOM 48 OE1 GLU A 839 -18.390 -0.071 5.724 1.00 0.00 O ATOM 49 OE2 GLU A 839 -19.005 0.140 7.855 1.00 0.00 O ATOM 0 H GLU A 839 -14.500 -3.372 6.765 1.00 0.00 H new ATOM 0 HA GLU A 839 -17.032 -3.073 5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -15.389 -1.689 7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -16.017 -0.574 6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -18.053 -2.543 6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -17.436 -1.698 8.371 1.00 0.00 H new ATOM 56 N THR A 840 -14.231 -2.066 4.053 1.00 0.00 N ATOM 57 CA THR A 840 -13.640 -1.534 2.842 1.00 0.00 C ATOM 58 C THR A 840 -13.436 -2.652 1.830 1.00 0.00 C ATOM 59 O THR A 840 -14.115 -2.699 0.807 1.00 0.00 O ATOM 60 CB THR A 840 -12.312 -0.861 3.178 1.00 0.00 C ATOM 61 OG1 THR A 840 -12.540 0.207 4.070 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.674 -0.327 1.899 1.00 0.00 C ATOM 0 H THR A 840 -13.557 -2.445 4.719 1.00 0.00 H new ATOM 0 HA THR A 840 -14.308 -0.793 2.404 1.00 0.00 H new ATOM 0 HB THR A 840 -11.644 -1.587 3.642 1.00 0.00 H new ATOM 0 HG1 THR A 840 -11.688 0.639 4.288 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.726 0.154 2.139 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.498 -1.152 1.208 1.00 0.00 H new ATOM 0 HG23 THR A 840 -12.342 0.399 1.435 1.00 0.00 H new ATOM 70 N LEU A 841 -12.496 -3.556 2.118 1.00 0.00 N ATOM 71 CA LEU A 841 -12.207 -4.668 1.236 1.00 0.00 C ATOM 72 C LEU A 841 -13.489 -5.424 0.920 1.00 0.00 C ATOM 73 O LEU A 841 -13.494 -6.318 0.077 1.00 0.00 O ATOM 74 CB LEU A 841 -11.185 -5.589 1.896 1.00 0.00 C ATOM 75 CG LEU A 841 -10.713 -6.632 0.887 1.00 0.00 C ATOM 76 CD1 LEU A 841 -11.884 -7.049 0.002 1.00 0.00 C ATOM 77 CD2 LEU A 841 -9.606 -6.037 0.022 1.00 0.00 C ATOM 0 H LEU A 841 -11.924 -3.531 2.962 1.00 0.00 H new ATOM 0 HA LEU A 841 -11.789 -4.295 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -10.337 -5.008 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -11.628 -6.080 2.762 1.00 0.00 H new ATOM 0 HG LEU A 841 -10.330 -7.504 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -11.548 -7.794 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -12.675 -7.474 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -12.267 -6.178 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -9.268 -6.781 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -9.988 -5.165 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -8.770 -5.739 0.655 1.00 0.00 H new ATOM 89 N CYS A 842 -14.579 -5.062 1.601 1.00 0.00 N ATOM 90 CA CYS A 842 -15.863 -5.701 1.395 1.00 0.00 C ATOM 91 C CYS A 842 -16.190 -5.719 -0.092 1.00 0.00 C ATOM 92 O CYS A 842 -17.096 -6.431 -0.520 1.00 0.00 O ATOM 93 CB CYS A 842 -16.937 -4.951 2.178 1.00 0.00 C ATOM 94 SG CYS A 842 -17.933 -6.151 3.095 1.00 0.00 S ATOM 0 H CYS A 842 -14.588 -4.323 2.304 1.00 0.00 H new ATOM 0 HA CYS A 842 -15.827 -6.730 1.754 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -16.477 -4.240 2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -17.568 -4.377 1.499 1.00 0.00 H new ATOM 0 HG CYS A 842 -17.382 -6.381 4.250 1.00 0.00 H new ATOM 100 N GLN A 843 -15.451 -4.934 -0.879 1.00 0.00 N ATOM 101 CA GLN A 843 -15.669 -4.865 -2.310 1.00 0.00 C ATOM 102 C GLN A 843 -14.526 -5.556 -3.040 1.00 0.00 C ATOM 103 O GLN A 843 -14.079 -5.086 -4.084 1.00 0.00 O ATOM 104 CB GLN A 843 -15.777 -3.403 -2.736 1.00 0.00 C ATOM 105 CG GLN A 843 -16.415 -2.591 -1.613 1.00 0.00 C ATOM 106 CD GLN A 843 -17.695 -1.920 -2.088 1.00 0.00 C ATOM 107 OE1 GLN A 843 -17.905 -1.757 -3.288 1.00 0.00 O ATOM 108 NE2 GLN A 843 -18.553 -1.529 -1.142 1.00 0.00 N ATOM 0 H GLN A 843 -14.696 -4.338 -0.540 1.00 0.00 H new ATOM 0 HA GLN A 843 -16.598 -5.375 -2.566 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -14.788 -3.007 -2.969 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -16.375 -3.321 -3.644 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -16.634 -3.242 -0.767 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -15.713 -1.836 -1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -18.334 -1.686 -0.158 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -19.427 -1.073 -1.403 1.00 0.00 H new ATOM 117 N THR A 844 -14.055 -6.678 -2.490 1.00 0.00 N ATOM 118 CA THR A 844 -12.970 -7.425 -3.095 1.00 0.00 C ATOM 119 C THR A 844 -11.868 -6.473 -3.536 1.00 0.00 C ATOM 120 O THR A 844 -11.905 -5.949 -4.648 1.00 0.00 O ATOM 121 CB THR A 844 -13.503 -8.222 -4.282 1.00 0.00 C ATOM 122 OG1 THR A 844 -13.452 -9.599 -3.983 1.00 0.00 O ATOM 123 CG2 THR A 844 -12.647 -7.937 -5.512 1.00 0.00 C ATOM 0 H THR A 844 -14.414 -7.083 -1.625 1.00 0.00 H new ATOM 0 HA THR A 844 -12.551 -8.119 -2.366 1.00 0.00 H new ATOM 0 HB THR A 844 -14.534 -7.931 -4.482 1.00 0.00 H new ATOM 0 HG1 THR A 844 -13.796 -10.112 -4.744 1.00 0.00 H new ATOM 0 HG21 THR A 844 -13.028 -8.506 -6.360 1.00 0.00 H new ATOM 0 HG22 THR A 844 -12.685 -6.872 -5.743 1.00 0.00 H new ATOM 0 HG23 THR A 844 -11.616 -8.228 -5.313 1.00 0.00 H new ATOM 131 N LYS A 845 -10.885 -6.250 -2.661 1.00 0.00 N ATOM 132 CA LYS A 845 -9.779 -5.364 -2.966 1.00 0.00 C ATOM 133 C LYS A 845 -10.308 -4.006 -3.403 1.00 0.00 C ATOM 134 O LYS A 845 -9.538 -3.066 -3.585 1.00 0.00 O ATOM 135 CB LYS A 845 -8.916 -5.986 -4.061 1.00 0.00 C ATOM 136 CG LYS A 845 -8.785 -7.486 -3.813 1.00 0.00 C ATOM 137 CD LYS A 845 -8.035 -7.723 -2.506 1.00 0.00 C ATOM 138 CE LYS A 845 -8.988 -8.316 -1.472 1.00 0.00 C ATOM 139 NZ LYS A 845 -8.951 -9.786 -1.502 1.00 0.00 N ATOM 0 H LYS A 845 -10.840 -6.676 -1.735 1.00 0.00 H new ATOM 0 HA LYS A 845 -9.167 -5.223 -2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -9.364 -5.806 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -7.930 -5.521 -4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -9.773 -7.945 -3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -8.254 -7.957 -4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -7.196 -8.399 -2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -7.620 -6.785 -2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -8.717 -7.962 -0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -10.003 -7.970 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -9.142 -10.158 -0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -9.673 -10.138 -2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -8.011 -10.103 -1.815 1.00 0.00 H new ATOM 153 N VAL A 846 -11.629 -3.905 -3.571 1.00 0.00 N ATOM 154 CA VAL A 846 -12.255 -2.666 -3.985 1.00 0.00 C ATOM 155 C VAL A 846 -11.280 -1.852 -4.824 1.00 0.00 C ATOM 156 O VAL A 846 -11.612 -1.426 -5.927 1.00 0.00 O ATOM 157 CB VAL A 846 -12.693 -1.881 -2.752 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.012 -2.852 -1.618 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.569 -0.945 -2.319 1.00 0.00 C ATOM 0 H VAL A 846 -12.281 -4.676 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 846 -13.134 -2.883 -4.592 1.00 0.00 H new ATOM 0 HB VAL A 846 -13.581 -1.296 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.325 -2.292 -0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -13.815 -3.521 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -12.124 -3.437 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.882 -0.384 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -10.680 -1.529 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -11.341 -0.252 -3.129 1.00 0.00 H new ATOM 169 N LEU A 847 -10.072 -1.636 -4.297 1.00 0.00 N ATOM 170 CA LEU A 847 -9.056 -0.876 -4.997 1.00 0.00 C ATOM 171 C LEU A 847 -9.423 0.601 -4.996 1.00 0.00 C ATOM 172 O LEU A 847 -9.655 1.185 -3.940 1.00 0.00 O ATOM 173 CB LEU A 847 -8.925 -1.399 -6.425 1.00 0.00 C ATOM 174 CG LEU A 847 -8.953 -2.925 -6.412 1.00 0.00 C ATOM 175 CD1 LEU A 847 -7.902 -3.445 -5.436 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.334 -3.404 -5.975 1.00 0.00 C ATOM 0 H LEU A 847 -9.781 -1.982 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 847 -8.097 -0.992 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.738 -1.015 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -7.995 -1.045 -6.869 1.00 0.00 H new ATOM 0 HG LEU A 847 -8.737 -3.301 -7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -7.922 -4.535 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -6.915 -3.103 -5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.117 -3.070 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.355 -4.494 -5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.550 -3.028 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -11.085 -3.033 -6.672 1.00 0.00 H new ATOM 188 N LEU A 848 -9.476 1.205 -6.186 1.00 0.00 N ATOM 189 CA LEU A 848 -9.815 2.608 -6.317 1.00 0.00 C ATOM 190 C LEU A 848 -8.549 3.427 -6.529 1.00 0.00 C ATOM 191 O LEU A 848 -7.452 2.971 -6.214 1.00 0.00 O ATOM 192 CB LEU A 848 -10.555 3.071 -5.065 1.00 0.00 C ATOM 193 CG LEU A 848 -11.815 3.831 -5.471 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.799 3.844 -4.305 1.00 0.00 C ATOM 195 CD2 LEU A 848 -11.447 5.264 -5.844 1.00 0.00 C ATOM 0 H LEU A 848 -9.286 0.734 -7.071 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.465 2.750 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.818 2.213 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -9.909 3.711 -4.464 1.00 0.00 H new ATOM 0 HG LEU A 848 -12.275 3.340 -6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.699 4.387 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -13.062 2.820 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.340 4.335 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -12.347 5.807 -6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -10.986 5.756 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -10.745 5.254 -6.678 1.00 0.00 H new ATOM 207 N ASP A 849 -8.704 4.640 -7.065 1.00 0.00 N ATOM 208 CA ASP A 849 -7.576 5.514 -7.316 1.00 0.00 C ATOM 209 C ASP A 849 -7.007 6.013 -5.996 1.00 0.00 C ATOM 210 O ASP A 849 -6.931 7.218 -5.767 1.00 0.00 O ATOM 211 CB ASP A 849 -8.025 6.684 -8.188 1.00 0.00 C ATOM 212 CG ASP A 849 -9.360 7.236 -7.711 1.00 0.00 C ATOM 213 OD1 ASP A 849 -9.522 7.344 -6.477 1.00 0.00 O ATOM 214 OD2 ASP A 849 -10.195 7.541 -8.591 1.00 0.00 O ATOM 0 H ASP A 849 -9.607 5.032 -7.331 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.795 4.965 -7.841 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -7.272 7.471 -8.163 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -8.111 6.358 -9.225 1.00 0.00 H new ATOM 219 N ILE A 850 -6.607 5.082 -5.127 1.00 0.00 N ATOM 220 CA ILE A 850 -6.046 5.429 -3.836 1.00 0.00 C ATOM 221 C ILE A 850 -4.545 5.643 -3.968 1.00 0.00 C ATOM 222 O ILE A 850 -4.102 6.722 -4.354 1.00 0.00 O ATOM 223 CB ILE A 850 -6.349 4.317 -2.835 1.00 0.00 C ATOM 224 CG1 ILE A 850 -7.518 3.478 -3.344 1.00 0.00 C ATOM 225 CG2 ILE A 850 -6.713 4.932 -1.487 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.722 3.674 -2.427 1.00 0.00 C ATOM 0 H ILE A 850 -6.665 4.079 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 850 -6.495 6.355 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 850 -5.470 3.683 -2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -7.772 3.770 -4.363 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -7.238 2.425 -3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -6.930 4.139 -0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -5.878 5.531 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.592 5.567 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -9.557 3.075 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.464 3.361 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -9.006 4.726 -2.420 1.00 0.00 H new ATOM 238 N PHE A 851 -3.761 4.611 -3.646 1.00 0.00 N ATOM 239 CA PHE A 851 -2.317 4.695 -3.731 1.00 0.00 C ATOM 240 C PHE A 851 -1.909 5.198 -5.108 1.00 0.00 C ATOM 241 O PHE A 851 -0.922 4.733 -5.674 1.00 0.00 O ATOM 242 CB PHE A 851 -1.713 3.321 -3.455 1.00 0.00 C ATOM 243 CG PHE A 851 -2.285 2.644 -2.233 1.00 0.00 C ATOM 244 CD1 PHE A 851 -3.415 1.825 -2.350 1.00 0.00 C ATOM 245 CD2 PHE A 851 -1.689 2.838 -0.981 1.00 0.00 C ATOM 246 CE1 PHE A 851 -3.947 1.200 -1.217 1.00 0.00 C ATOM 247 CE2 PHE A 851 -2.221 2.213 0.152 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.350 1.394 0.035 1.00 0.00 C ATOM 0 H PHE A 851 -4.112 3.709 -3.324 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.944 5.398 -2.986 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.874 2.682 -4.323 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.635 3.425 -3.331 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -3.876 1.676 -3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -0.818 3.470 -0.890 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -4.818 0.568 -1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -1.760 2.363 1.117 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.761 0.912 0.910 1.00 0.00 H new ATOM 258 N THR A 852 -2.672 6.151 -5.649 1.00 0.00 N ATOM 259 CA THR A 852 -2.382 6.709 -6.954 1.00 0.00 C ATOM 260 C THR A 852 -0.878 6.866 -7.129 1.00 0.00 C ATOM 261 O THR A 852 -0.240 7.615 -6.394 1.00 0.00 O ATOM 262 CB THR A 852 -3.086 8.055 -7.098 1.00 0.00 C ATOM 263 OG1 THR A 852 -3.596 8.181 -8.407 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.092 9.181 -6.830 1.00 0.00 C ATOM 0 H THR A 852 -3.495 6.547 -5.195 1.00 0.00 H new ATOM 0 HA THR A 852 -2.748 6.036 -7.729 1.00 0.00 H new ATOM 0 HB THR A 852 -3.905 8.115 -6.381 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.050 9.045 -8.500 1.00 0.00 H new ATOM 0 HG21 THR A 852 -2.595 10.143 -6.933 1.00 0.00 H new ATOM 0 HG22 THR A 852 -1.697 9.085 -5.819 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.273 9.122 -7.547 1.00 0.00 H new ATOM 272 N GLY A 853 -0.312 6.155 -8.108 1.00 0.00 N ATOM 273 CA GLY A 853 1.111 6.222 -8.371 1.00 0.00 C ATOM 274 C GLY A 853 1.894 6.101 -7.071 1.00 0.00 C ATOM 275 O GLY A 853 3.029 6.565 -6.981 1.00 0.00 O ATOM 0 H GLY A 853 -0.826 5.528 -8.727 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.400 5.423 -9.053 1.00 0.00 H new ATOM 0 HA3 GLY A 853 1.353 7.164 -8.863 1.00 0.00 H new ATOM 279 N VAL A 854 1.284 5.476 -6.061 1.00 0.00 N ATOM 280 CA VAL A 854 1.923 5.298 -4.773 1.00 0.00 C ATOM 281 C VAL A 854 2.691 3.984 -4.757 1.00 0.00 C ATOM 282 O VAL A 854 2.092 2.914 -4.681 1.00 0.00 O ATOM 283 CB VAL A 854 0.865 5.320 -3.673 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.376 4.547 -2.461 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.579 6.764 -3.273 1.00 0.00 C ATOM 0 H VAL A 854 0.343 5.086 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 854 2.628 6.111 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 854 -0.051 4.856 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 854 0.621 4.562 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 854 1.581 3.515 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.292 5.010 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -0.176 6.781 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.495 7.228 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.214 7.316 -4.139 1.00 0.00 H new ATOM 295 N ARG A 855 4.021 4.068 -4.829 1.00 0.00 N ATOM 296 CA ARG A 855 4.863 2.888 -4.824 1.00 0.00 C ATOM 297 C ARG A 855 5.396 2.642 -3.420 1.00 0.00 C ATOM 298 O ARG A 855 6.432 3.186 -3.043 1.00 0.00 O ATOM 299 CB ARG A 855 6.010 3.079 -5.812 1.00 0.00 C ATOM 300 CG ARG A 855 7.176 3.772 -5.111 1.00 0.00 C ATOM 301 CD ARG A 855 8.156 4.299 -6.155 1.00 0.00 C ATOM 302 NE ARG A 855 7.464 5.085 -7.176 1.00 0.00 N ATOM 303 CZ ARG A 855 8.112 5.833 -8.079 1.00 0.00 C ATOM 304 NH1 ARG A 855 9.451 5.882 -8.072 1.00 0.00 N ATOM 305 NH2 ARG A 855 7.421 6.532 -8.990 1.00 0.00 N ATOM 0 H ARG A 855 4.532 4.948 -4.891 1.00 0.00 H new ATOM 0 HA ARG A 855 4.280 2.018 -5.128 1.00 0.00 H new ATOM 0 HB2 ARG A 855 6.330 2.114 -6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 855 5.677 3.675 -6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.808 4.593 -4.495 1.00 0.00 H new ATOM 0 HG3 ARG A 855 7.680 3.073 -4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 855 8.914 4.914 -5.670 1.00 0.00 H new ATOM 0 HD3 ARG A 855 8.676 3.464 -6.625 1.00 0.00 H new ATOM 0 HE ARG A 855 6.445 5.063 -7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 855 9.977 5.350 -7.379 1.00 0.00 H new ATOM 0 HH12 ARG A 855 9.944 6.452 -8.760 1.00 0.00 H new ATOM 0 HH21 ARG A 855 6.402 6.495 -8.996 1.00 0.00 H new ATOM 0 HH22 ARG A 855 7.914 7.102 -9.677 1.00 0.00 H new ATOM 319 N LEU A 856 4.686 1.819 -2.645 1.00 0.00 N ATOM 320 CA LEU A 856 5.090 1.505 -1.289 1.00 0.00 C ATOM 321 C LEU A 856 5.511 0.045 -1.201 1.00 0.00 C ATOM 322 O LEU A 856 4.870 -0.825 -1.787 1.00 0.00 O ATOM 323 CB LEU A 856 3.935 1.794 -0.335 1.00 0.00 C ATOM 324 CG LEU A 856 3.242 0.485 0.035 1.00 0.00 C ATOM 325 CD1 LEU A 856 4.289 -0.552 0.428 1.00 0.00 C ATOM 326 CD2 LEU A 856 2.296 0.725 1.208 1.00 0.00 C ATOM 0 H LEU A 856 3.825 1.360 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 856 5.941 2.125 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 856 4.306 2.288 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 856 3.224 2.475 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 856 2.674 0.120 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 856 3.794 -1.487 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 856 4.964 -0.723 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 856 4.858 -0.188 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 856 1.801 -0.209 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 856 2.863 1.090 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 856 1.547 1.465 0.926 1.00 0.00 H new ATOM 338 N TYR A 857 6.591 -0.224 -0.464 1.00 0.00 N ATOM 339 CA TYR A 857 7.090 -1.575 -0.304 1.00 0.00 C ATOM 340 C TYR A 857 6.221 -2.332 0.690 1.00 0.00 C ATOM 341 O TYR A 857 6.393 -2.192 1.899 1.00 0.00 O ATOM 342 CB TYR A 857 8.539 -1.528 0.169 1.00 0.00 C ATOM 343 CG TYR A 857 8.857 -2.545 1.239 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.483 -3.883 1.066 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.526 -2.150 2.404 1.00 0.00 C ATOM 346 CE1 TYR A 857 8.778 -4.827 2.057 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.821 -3.094 3.395 1.00 0.00 C ATOM 348 CZ TYR A 857 9.447 -4.432 3.222 1.00 0.00 C ATOM 349 OH TYR A 857 9.735 -5.351 4.188 1.00 0.00 O ATOM 0 H TYR A 857 7.133 0.485 0.030 1.00 0.00 H new ATOM 0 HA TYR A 857 7.051 -2.097 -1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.197 -1.692 -0.684 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.756 -0.530 0.551 1.00 0.00 H new ATOM 0 HD1 TYR A 857 7.967 -4.187 0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.814 -1.118 2.538 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.490 -5.859 1.923 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.337 -2.790 4.293 1.00 0.00 H new ATOM 0 HH TYR A 857 10.202 -4.911 4.929 1.00 0.00 H new ATOM 359 N LEU A 858 5.287 -3.137 0.179 1.00 0.00 N ATOM 360 CA LEU A 858 4.398 -3.911 1.022 1.00 0.00 C ATOM 361 C LEU A 858 5.116 -5.155 1.524 1.00 0.00 C ATOM 362 O LEU A 858 5.436 -6.048 0.742 1.00 0.00 O ATOM 363 CB LEU A 858 3.149 -4.289 0.232 1.00 0.00 C ATOM 364 CG LEU A 858 2.132 -4.936 1.167 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.502 -4.625 2.615 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.741 -4.383 0.868 1.00 0.00 C ATOM 0 H LEU A 858 5.133 -3.264 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 858 4.099 -3.316 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.718 -3.403 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.409 -4.977 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 858 2.134 -6.015 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 858 1.776 -5.087 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.495 -5.020 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.500 -3.546 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.014 -4.845 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.738 -3.304 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.476 -4.605 -0.166 1.00 0.00 H new ATOM 378 N PRO A 859 5.368 -5.213 2.834 1.00 0.00 N ATOM 379 CA PRO A 859 6.038 -6.317 3.487 1.00 0.00 C ATOM 380 C PRO A 859 5.107 -7.520 3.542 1.00 0.00 C ATOM 381 O PRO A 859 3.901 -7.366 3.726 1.00 0.00 O ATOM 382 CB PRO A 859 6.355 -5.806 4.891 1.00 0.00 C ATOM 383 CG PRO A 859 5.222 -4.815 5.154 1.00 0.00 C ATOM 384 CD PRO A 859 5.006 -4.182 3.782 1.00 0.00 C ATOM 0 HA PRO A 859 6.939 -6.636 2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.364 -6.614 5.623 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.332 -5.325 4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.323 -5.314 5.516 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.498 -4.073 5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 859 3.970 -3.870 3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.625 -3.294 3.655 1.00 0.00 H new ATOM 392 N PRO A 860 5.669 -8.720 3.378 1.00 0.00 N ATOM 393 CA PRO A 860 4.942 -9.971 3.400 1.00 0.00 C ATOM 394 C PRO A 860 4.512 -10.287 4.825 1.00 0.00 C ATOM 395 O PRO A 860 3.573 -11.051 5.037 1.00 0.00 O ATOM 396 CB PRO A 860 5.935 -11.009 2.884 1.00 0.00 C ATOM 397 CG PRO A 860 7.281 -10.441 3.330 1.00 0.00 C ATOM 398 CD PRO A 860 7.082 -8.936 3.159 1.00 0.00 C ATOM 0 HA PRO A 860 4.037 -9.947 2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 860 5.750 -11.994 3.312 1.00 0.00 H new ATOM 0 HB3 PRO A 860 5.881 -11.117 1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 860 7.510 -10.705 4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.101 -10.814 2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 860 7.683 -8.374 3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.382 -8.608 2.164 1.00 0.00 H new ATOM 406 N SER A 861 5.203 -9.698 5.803 1.00 0.00 N ATOM 407 CA SER A 861 4.889 -9.921 7.200 1.00 0.00 C ATOM 408 C SER A 861 3.632 -9.150 7.577 1.00 0.00 C ATOM 409 O SER A 861 3.048 -9.387 8.632 1.00 0.00 O ATOM 410 CB SER A 861 6.070 -9.483 8.062 1.00 0.00 C ATOM 411 OG SER A 861 6.568 -10.593 8.775 1.00 0.00 O ATOM 0 H SER A 861 5.985 -9.062 5.644 1.00 0.00 H new ATOM 0 HA SER A 861 4.705 -10.982 7.370 1.00 0.00 H new ATOM 0 HB2 SER A 861 6.854 -9.058 7.435 1.00 0.00 H new ATOM 0 HB3 SER A 861 5.758 -8.702 8.755 1.00 0.00 H new ATOM 0 HG SER A 861 7.327 -10.313 9.327 1.00 0.00 H new ATOM 417 N THR A 862 3.214 -8.224 6.710 1.00 0.00 N ATOM 418 CA THR A 862 2.029 -7.429 6.959 1.00 0.00 C ATOM 419 C THR A 862 0.785 -8.297 6.832 1.00 0.00 C ATOM 420 O THR A 862 0.741 -9.206 6.007 1.00 0.00 O ATOM 421 CB THR A 862 1.980 -6.268 5.969 1.00 0.00 C ATOM 422 OG1 THR A 862 1.790 -5.060 6.671 1.00 0.00 O ATOM 423 CG2 THR A 862 0.824 -6.478 4.995 1.00 0.00 C ATOM 0 H THR A 862 3.686 -8.013 5.831 1.00 0.00 H new ATOM 0 HA THR A 862 2.064 -7.027 7.972 1.00 0.00 H new ATOM 0 HB THR A 862 2.918 -6.223 5.415 1.00 0.00 H new ATOM 0 HG1 THR A 862 1.301 -4.427 6.106 1.00 0.00 H new ATOM 0 HG21 THR A 862 0.789 -5.649 4.288 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.971 -7.412 4.452 1.00 0.00 H new ATOM 0 HG23 THR A 862 -0.114 -6.523 5.548 1.00 0.00 H new ATOM 431 N PRO A 863 -0.227 -8.014 7.655 1.00 0.00 N ATOM 432 CA PRO A 863 -1.485 -8.729 7.678 1.00 0.00 C ATOM 433 C PRO A 863 -2.297 -8.371 6.441 1.00 0.00 C ATOM 434 O PRO A 863 -2.296 -7.222 6.006 1.00 0.00 O ATOM 435 CB PRO A 863 -2.184 -8.251 8.949 1.00 0.00 C ATOM 436 CG PRO A 863 -1.654 -6.828 9.112 1.00 0.00 C ATOM 437 CD PRO A 863 -0.208 -6.952 8.638 1.00 0.00 C ATOM 0 HA PRO A 863 -1.359 -9.812 7.674 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -3.269 -8.269 8.845 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.935 -8.876 9.807 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -2.217 -6.115 8.511 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -1.713 -6.490 10.146 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.146 -6.018 8.203 1.00 0.00 H new ATOM 0 HD3 PRO A 863 0.460 -7.192 9.466 1.00 0.00 H new ATOM 445 N ASP A 864 -2.991 -9.361 5.874 1.00 0.00 N ATOM 446 CA ASP A 864 -3.800 -9.147 4.691 1.00 0.00 C ATOM 447 C ASP A 864 -2.900 -8.863 3.496 1.00 0.00 C ATOM 448 O ASP A 864 -3.386 -8.559 2.410 1.00 0.00 O ATOM 449 CB ASP A 864 -4.758 -7.984 4.935 1.00 0.00 C ATOM 450 CG ASP A 864 -6.205 -8.435 4.801 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.402 -9.590 4.365 1.00 0.00 O ATOM 452 OD2 ASP A 864 -7.088 -7.617 5.137 1.00 0.00 O ATOM 0 H ASP A 864 -3.003 -10.319 6.223 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.383 -10.042 4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -4.592 -7.573 5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -4.555 -7.185 4.223 1.00 0.00 H new ATOM 457 N PHE A 865 -1.584 -8.964 3.699 1.00 0.00 N ATOM 458 CA PHE A 865 -0.628 -8.718 2.639 1.00 0.00 C ATOM 459 C PHE A 865 -1.179 -9.232 1.316 1.00 0.00 C ATOM 460 O PHE A 865 -1.206 -8.503 0.327 1.00 0.00 O ATOM 461 CB PHE A 865 0.693 -9.403 2.978 1.00 0.00 C ATOM 462 CG PHE A 865 1.798 -9.103 1.993 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.290 -7.798 1.870 1.00 0.00 C ATOM 464 CD2 PHE A 865 2.328 -10.129 1.202 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.312 -7.519 0.956 1.00 0.00 C ATOM 466 CE2 PHE A 865 3.351 -9.850 0.288 1.00 0.00 C ATOM 467 CZ PHE A 865 3.843 -8.545 0.165 1.00 0.00 C ATOM 0 H PHE A 865 -1.164 -9.216 4.594 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.453 -7.646 2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 865 1.010 -9.091 3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.535 -10.481 3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 865 1.881 -7.007 2.481 1.00 0.00 H new ATOM 0 HD2 PHE A 865 1.948 -11.135 1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.691 -6.512 0.861 1.00 0.00 H new ATOM 0 HE2 PHE A 865 3.761 -10.641 -0.322 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.632 -8.330 -0.540 1.00 0.00 H new ATOM 477 N SER A 866 -1.620 -10.492 1.301 1.00 0.00 N ATOM 478 CA SER A 866 -2.169 -11.094 0.103 1.00 0.00 C ATOM 479 C SER A 866 -2.803 -10.021 -0.771 1.00 0.00 C ATOM 480 O SER A 866 -2.330 -9.755 -1.874 1.00 0.00 O ATOM 481 CB SER A 866 -3.197 -12.153 0.491 1.00 0.00 C ATOM 482 OG SER A 866 -3.329 -13.086 -0.558 1.00 0.00 O ATOM 0 H SER A 866 -1.604 -11.110 2.112 1.00 0.00 H new ATOM 0 HA SER A 866 -1.371 -11.572 -0.466 1.00 0.00 H new ATOM 0 HB2 SER A 866 -2.886 -12.659 1.405 1.00 0.00 H new ATOM 0 HB3 SER A 866 -4.159 -11.683 0.698 1.00 0.00 H new ATOM 0 HG SER A 866 -3.988 -13.767 -0.309 1.00 0.00 H new ATOM 488 N ARG A 867 -3.878 -9.404 -0.274 1.00 0.00 N ATOM 489 CA ARG A 867 -4.571 -8.365 -1.009 1.00 0.00 C ATOM 490 C ARG A 867 -3.700 -7.119 -1.086 1.00 0.00 C ATOM 491 O ARG A 867 -3.362 -6.662 -2.176 1.00 0.00 O ATOM 492 CB ARG A 867 -5.897 -8.056 -0.322 1.00 0.00 C ATOM 493 CG ARG A 867 -6.530 -9.354 0.171 1.00 0.00 C ATOM 494 CD ARG A 867 -6.220 -9.541 1.653 1.00 0.00 C ATOM 495 NE ARG A 867 -5.742 -10.897 1.923 1.00 0.00 N ATOM 496 CZ ARG A 867 -6.518 -11.981 1.786 1.00 0.00 C ATOM 497 NH1 ARG A 867 -7.790 -11.848 1.385 1.00 0.00 N ATOM 498 NH2 ARG A 867 -6.023 -13.198 2.049 1.00 0.00 N ATOM 0 H ARG A 867 -4.282 -9.613 0.639 1.00 0.00 H new ATOM 0 HA ARG A 867 -4.774 -8.706 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -5.735 -7.377 0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.569 -7.552 -1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -7.608 -9.327 0.015 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -6.146 -10.199 -0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -5.467 -8.818 1.964 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -7.115 -9.343 2.243 1.00 0.00 H new ATOM 0 HE ARG A 867 -4.777 -11.023 2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -8.167 -10.922 1.184 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -8.381 -12.673 1.281 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -5.055 -13.300 2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -6.614 -14.023 1.945 1.00 0.00 H new ATOM 512 N LEU A 868 -3.336 -6.570 0.075 1.00 0.00 N ATOM 513 CA LEU A 868 -2.508 -5.383 0.134 1.00 0.00 C ATOM 514 C LEU A 868 -1.621 -5.310 -1.101 1.00 0.00 C ATOM 515 O LEU A 868 -1.541 -4.269 -1.749 1.00 0.00 O ATOM 516 CB LEU A 868 -1.663 -5.415 1.405 1.00 0.00 C ATOM 517 CG LEU A 868 -2.558 -5.168 2.616 1.00 0.00 C ATOM 518 CD1 LEU A 868 -1.774 -5.454 3.894 1.00 0.00 C ATOM 519 CD2 LEU A 868 -3.022 -3.714 2.618 1.00 0.00 C ATOM 0 H LEU A 868 -3.608 -6.938 0.987 1.00 0.00 H new ATOM 0 HA LEU A 868 -3.140 -4.495 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -1.164 -6.379 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.883 -4.656 1.355 1.00 0.00 H new ATOM 0 HG LEU A 868 -3.426 -5.826 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -2.412 -5.278 4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -1.443 -6.492 3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -0.906 -4.796 3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.661 -3.537 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -2.155 -3.055 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -3.582 -3.509 1.705 1.00 0.00 H new ATOM 531 N ARG A 869 -0.955 -6.420 -1.425 1.00 0.00 N ATOM 532 CA ARG A 869 -0.078 -6.477 -2.578 1.00 0.00 C ATOM 533 C ARG A 869 -0.893 -6.319 -3.853 1.00 0.00 C ATOM 534 O ARG A 869 -1.123 -5.201 -4.311 1.00 0.00 O ATOM 535 CB ARG A 869 0.674 -7.804 -2.578 1.00 0.00 C ATOM 536 CG ARG A 869 1.721 -7.795 -3.688 1.00 0.00 C ATOM 537 CD ARG A 869 3.117 -7.814 -3.072 1.00 0.00 C ATOM 538 NE ARG A 869 3.522 -9.178 -2.732 1.00 0.00 N ATOM 539 CZ ARG A 869 4.152 -9.985 -3.597 1.00 0.00 C ATOM 540 NH1 ARG A 869 4.436 -9.552 -4.832 1.00 0.00 N ATOM 541 NH2 ARG A 869 4.497 -11.226 -3.226 1.00 0.00 N ATOM 0 H ARG A 869 -1.012 -7.291 -0.897 1.00 0.00 H new ATOM 0 HA ARG A 869 0.646 -5.664 -2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 869 1.154 -7.962 -1.612 1.00 0.00 H new ATOM 0 HB3 ARG A 869 -0.023 -8.629 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 869 1.586 -8.661 -4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 869 1.599 -6.909 -4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 869 3.833 -7.382 -3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 869 3.132 -7.193 -2.177 1.00 0.00 H new ATOM 0 HE ARG A 869 3.316 -9.530 -1.797 1.00 0.00 H new ATOM 0 HH11 ARG A 869 4.173 -8.608 -5.115 1.00 0.00 H new ATOM 0 HH12 ARG A 869 4.915 -10.166 -5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 869 4.280 -11.556 -2.286 1.00 0.00 H new ATOM 0 HH22 ARG A 869 4.976 -11.840 -3.884 1.00 0.00 H new ATOM 555 N ARG A 870 -1.331 -7.442 -4.427 1.00 0.00 N ATOM 556 CA ARG A 870 -2.116 -7.423 -5.645 1.00 0.00 C ATOM 557 C ARG A 870 -3.009 -6.191 -5.663 1.00 0.00 C ATOM 558 O ARG A 870 -3.144 -5.535 -6.694 1.00 0.00 O ATOM 559 CB ARG A 870 -2.951 -8.697 -5.730 1.00 0.00 C ATOM 560 CG ARG A 870 -2.610 -9.443 -7.017 1.00 0.00 C ATOM 561 CD ARG A 870 -3.485 -10.689 -7.130 1.00 0.00 C ATOM 562 NE ARG A 870 -4.761 -10.377 -7.774 1.00 0.00 N ATOM 563 CZ ARG A 870 -4.871 -10.129 -9.086 1.00 0.00 C ATOM 564 NH1 ARG A 870 -3.783 -10.161 -9.867 1.00 0.00 N ATOM 565 NH2 ARG A 870 -6.069 -9.848 -9.617 1.00 0.00 N ATOM 0 H ARG A 870 -1.150 -8.376 -4.059 1.00 0.00 H new ATOM 0 HA ARG A 870 -1.453 -7.380 -6.509 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -2.755 -9.332 -4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -4.013 -8.451 -5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -2.769 -8.795 -7.879 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -1.557 -9.724 -7.019 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -2.962 -11.454 -7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -3.666 -11.102 -6.138 1.00 0.00 H new ATOM 0 HE ARG A 870 -5.603 -10.347 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 870 -2.871 -10.374 -9.463 1.00 0.00 H new ATOM 0 HH12 ARG A 870 -3.867 -9.972 -10.866 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -6.897 -9.823 -9.022 1.00 0.00 H new ATOM 0 HH22 ARG A 870 -6.152 -9.659 -10.616 1.00 0.00 H new ATOM 579 N TYR A 871 -3.621 -5.877 -4.519 1.00 0.00 N ATOM 580 CA TYR A 871 -4.497 -4.728 -4.412 1.00 0.00 C ATOM 581 C TYR A 871 -3.727 -3.458 -4.747 1.00 0.00 C ATOM 582 O TYR A 871 -4.064 -2.758 -5.699 1.00 0.00 O ATOM 583 CB TYR A 871 -5.070 -4.657 -3.000 1.00 0.00 C ATOM 584 CG TYR A 871 -6.318 -3.813 -2.898 1.00 0.00 C ATOM 585 CD1 TYR A 871 -6.680 -2.968 -3.954 1.00 0.00 C ATOM 586 CD2 TYR A 871 -7.114 -3.876 -1.747 1.00 0.00 C ATOM 587 CE1 TYR A 871 -7.838 -2.186 -3.859 1.00 0.00 C ATOM 588 CE2 TYR A 871 -8.271 -3.094 -1.653 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.634 -2.250 -2.709 1.00 0.00 C ATOM 590 OH TYR A 871 -9.761 -1.488 -2.617 1.00 0.00 O ATOM 0 H TYR A 871 -3.520 -6.410 -3.655 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.320 -4.826 -5.120 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.295 -5.667 -2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.312 -4.253 -2.329 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -6.067 -2.919 -4.841 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -6.835 -4.528 -0.932 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -8.117 -1.533 -4.673 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -8.884 -3.142 -0.765 1.00 0.00 H new ATOM 0 HH TYR A 871 -10.326 -1.826 -1.891 1.00 0.00 H new ATOM 600 N PHE A 872 -2.689 -3.162 -3.961 1.00 0.00 N ATOM 601 CA PHE A 872 -1.879 -1.981 -4.179 1.00 0.00 C ATOM 602 C PHE A 872 -1.536 -1.856 -5.657 1.00 0.00 C ATOM 603 O PHE A 872 -2.298 -1.274 -6.426 1.00 0.00 O ATOM 604 CB PHE A 872 -0.612 -2.071 -3.335 1.00 0.00 C ATOM 605 CG PHE A 872 0.053 -0.736 -3.101 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.646 -0.052 -4.169 1.00 0.00 C ATOM 607 CD2 PHE A 872 0.080 -0.183 -1.815 1.00 0.00 C ATOM 608 CE1 PHE A 872 1.264 1.185 -3.952 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.699 1.054 -1.598 1.00 0.00 C ATOM 610 CZ PHE A 872 1.291 1.738 -2.667 1.00 0.00 C ATOM 0 H PHE A 872 -2.396 -3.732 -3.167 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.436 -1.093 -3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -0.858 -2.519 -2.372 1.00 0.00 H new ATOM 0 HB3 PHE A 872 0.095 -2.739 -3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.627 -0.479 -5.161 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.377 -0.710 -0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.720 1.713 -4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 872 0.720 1.481 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.768 2.692 -2.500 1.00 0.00 H new ATOM 620 N VAL A 873 -0.385 -2.404 -6.052 1.00 0.00 N ATOM 621 CA VAL A 873 0.053 -2.352 -7.432 1.00 0.00 C ATOM 622 C VAL A 873 -1.156 -2.311 -8.355 1.00 0.00 C ATOM 623 O VAL A 873 -1.129 -1.644 -9.387 1.00 0.00 O ATOM 624 CB VAL A 873 0.924 -3.568 -7.735 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.681 -4.643 -6.680 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.568 -4.117 -9.114 1.00 0.00 C ATOM 0 H VAL A 873 0.257 -2.889 -5.426 1.00 0.00 H new ATOM 0 HA VAL A 873 0.642 -1.450 -7.597 1.00 0.00 H new ATOM 0 HB VAL A 873 1.974 -3.276 -7.720 1.00 0.00 H new ATOM 0 HG11 VAL A 873 1.303 -5.512 -6.896 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.935 -4.251 -5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.369 -4.936 -6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 873 1.190 -4.986 -9.331 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.482 -4.409 -9.129 1.00 0.00 H new ATOM 0 HG23 VAL A 873 0.742 -3.349 -9.867 1.00 0.00 H new ATOM 636 N ALA A 874 -2.220 -3.026 -7.980 1.00 0.00 N ATOM 637 CA ALA A 874 -3.431 -3.068 -8.774 1.00 0.00 C ATOM 638 C ALA A 874 -3.961 -1.656 -8.982 1.00 0.00 C ATOM 639 O ALA A 874 -3.898 -1.124 -10.088 1.00 0.00 O ATOM 640 CB ALA A 874 -4.469 -3.937 -8.071 1.00 0.00 C ATOM 0 H ALA A 874 -2.258 -3.583 -7.126 1.00 0.00 H new ATOM 0 HA ALA A 874 -3.215 -3.501 -9.751 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.381 -3.969 -8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -4.077 -4.947 -7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -4.692 -3.516 -7.090 1.00 0.00 H new ATOM 646 N PHE A 875 -4.484 -1.050 -7.914 1.00 0.00 N ATOM 647 CA PHE A 875 -5.021 0.294 -7.987 1.00 0.00 C ATOM 648 C PHE A 875 -4.387 1.041 -9.152 1.00 0.00 C ATOM 649 O PHE A 875 -5.091 1.619 -9.978 1.00 0.00 O ATOM 650 CB PHE A 875 -4.754 1.019 -6.670 1.00 0.00 C ATOM 651 CG PHE A 875 -5.307 0.300 -5.463 1.00 0.00 C ATOM 652 CD1 PHE A 875 -6.640 0.493 -5.083 1.00 0.00 C ATOM 653 CD2 PHE A 875 -4.487 -0.563 -4.726 1.00 0.00 C ATOM 654 CE1 PHE A 875 -7.153 -0.176 -3.965 1.00 0.00 C ATOM 655 CE2 PHE A 875 -5.000 -1.232 -3.609 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.333 -1.038 -3.228 1.00 0.00 C ATOM 0 H PHE A 875 -4.543 -1.477 -6.990 1.00 0.00 H new ATOM 0 HA PHE A 875 -6.098 0.251 -8.152 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.679 1.146 -6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -5.189 2.017 -6.719 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -7.273 1.158 -5.652 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -3.458 -0.712 -5.020 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -8.182 -0.027 -3.671 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -4.367 -1.898 -3.041 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.729 -1.554 -2.365 1.00 0.00 H new ATOM 666 N ASP A 876 -3.054 1.027 -9.218 1.00 0.00 N ATOM 667 CA ASP A 876 -2.334 1.702 -10.279 1.00 0.00 C ATOM 668 C ASP A 876 -0.977 2.163 -9.769 1.00 0.00 C ATOM 669 O ASP A 876 -0.335 3.011 -10.385 1.00 0.00 O ATOM 670 CB ASP A 876 -3.156 2.888 -10.776 1.00 0.00 C ATOM 671 CG ASP A 876 -3.912 2.531 -12.048 1.00 0.00 C ATOM 672 OD1 ASP A 876 -3.793 1.360 -12.470 1.00 0.00 O ATOM 673 OD2 ASP A 876 -4.596 3.436 -12.575 1.00 0.00 O ATOM 0 H ASP A 876 -2.457 0.551 -8.542 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.173 1.014 -11.109 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.861 3.196 -10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.499 3.737 -10.965 1.00 0.00 H new ATOM 678 N GLY A 877 -0.538 1.601 -8.640 1.00 0.00 N ATOM 679 CA GLY A 877 0.740 1.960 -8.058 1.00 0.00 C ATOM 680 C GLY A 877 1.794 0.923 -8.418 1.00 0.00 C ATOM 681 O GLY A 877 1.818 0.422 -9.540 1.00 0.00 O ATOM 0 H GLY A 877 -1.056 0.895 -8.116 1.00 0.00 H new ATOM 0 HA2 GLY A 877 1.048 2.942 -8.418 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.646 2.032 -6.974 1.00 0.00 H new ATOM 685 N ASP A 878 2.668 0.601 -7.462 1.00 0.00 N ATOM 686 CA ASP A 878 3.719 -0.372 -7.682 1.00 0.00 C ATOM 687 C ASP A 878 4.223 -0.897 -6.346 1.00 0.00 C ATOM 688 O ASP A 878 4.035 -0.255 -5.314 1.00 0.00 O ATOM 689 CB ASP A 878 4.853 0.276 -8.472 1.00 0.00 C ATOM 690 CG ASP A 878 4.830 -0.176 -9.925 1.00 0.00 C ATOM 691 OD1 ASP A 878 5.424 -1.242 -10.198 1.00 0.00 O ATOM 692 OD2 ASP A 878 4.220 0.553 -10.737 1.00 0.00 O ATOM 0 H ASP A 878 2.661 1.007 -6.526 1.00 0.00 H new ATOM 0 HA ASP A 878 3.328 -1.213 -8.256 1.00 0.00 H new ATOM 0 HB2 ASP A 878 4.762 1.361 -8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.811 0.016 -8.021 1.00 0.00 H new ATOM 697 N LEU A 879 4.866 -2.067 -6.366 1.00 0.00 N ATOM 698 CA LEU A 879 5.393 -2.671 -5.158 1.00 0.00 C ATOM 699 C LEU A 879 6.809 -3.170 -5.406 1.00 0.00 C ATOM 700 O LEU A 879 7.062 -3.867 -6.386 1.00 0.00 O ATOM 701 CB LEU A 879 4.484 -3.818 -4.725 1.00 0.00 C ATOM 702 CG LEU A 879 3.581 -3.349 -3.588 1.00 0.00 C ATOM 703 CD1 LEU A 879 3.107 -1.926 -3.868 1.00 0.00 C ATOM 704 CD2 LEU A 879 2.373 -4.276 -3.483 1.00 0.00 C ATOM 0 H LEU A 879 5.030 -2.610 -7.213 1.00 0.00 H new ATOM 0 HA LEU A 879 5.425 -1.929 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 879 3.880 -4.156 -5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 879 5.083 -4.669 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 879 4.137 -3.369 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 879 2.462 -1.591 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 879 3.969 -1.263 -3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.551 -1.906 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 879 1.727 -3.942 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 879 1.817 -4.257 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 879 2.711 -5.293 -3.283 1.00 0.00 H new ATOM 716 N VAL A 880 7.734 -2.811 -4.513 1.00 0.00 N ATOM 717 CA VAL A 880 9.118 -3.223 -4.638 1.00 0.00 C ATOM 718 C VAL A 880 9.496 -4.119 -3.467 1.00 0.00 C ATOM 719 O VAL A 880 9.135 -3.839 -2.327 1.00 0.00 O ATOM 720 CB VAL A 880 10.013 -1.988 -4.684 1.00 0.00 C ATOM 721 CG1 VAL A 880 10.914 -2.058 -5.913 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.146 -0.734 -4.760 1.00 0.00 C ATOM 0 H VAL A 880 7.540 -2.233 -3.695 1.00 0.00 H new ATOM 0 HA VAL A 880 9.252 -3.788 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 880 10.628 -1.951 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.553 -1.176 -5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.533 -2.953 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.300 -2.095 -6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.785 0.149 -4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.531 -0.771 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.502 -0.683 -3.882 1.00 0.00 H new ATOM 732 N GLN A 881 10.226 -5.200 -3.752 1.00 0.00 N ATOM 733 CA GLN A 881 10.647 -6.130 -2.724 1.00 0.00 C ATOM 734 C GLN A 881 11.617 -5.444 -1.773 1.00 0.00 C ATOM 735 O GLN A 881 12.546 -4.769 -2.210 1.00 0.00 O ATOM 736 CB GLN A 881 11.300 -7.346 -3.377 1.00 0.00 C ATOM 737 CG GLN A 881 10.406 -7.861 -4.501 1.00 0.00 C ATOM 738 CD GLN A 881 11.215 -8.108 -5.767 1.00 0.00 C ATOM 739 OE1 GLN A 881 11.694 -9.217 -5.993 1.00 0.00 O ATOM 740 NE2 GLN A 881 11.366 -7.070 -6.593 1.00 0.00 N ATOM 0 H GLN A 881 10.534 -5.446 -4.693 1.00 0.00 H new ATOM 0 HA GLN A 881 9.781 -6.461 -2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.280 -7.078 -3.771 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.458 -8.129 -2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 881 9.919 -8.785 -4.190 1.00 0.00 H new ATOM 0 HG3 GLN A 881 9.617 -7.137 -4.704 1.00 0.00 H new ATOM 0 HE21 GLN A 881 10.949 -6.169 -6.361 1.00 0.00 H new ATOM 0 HE22 GLN A 881 11.899 -7.178 -7.456 1.00 0.00 H new ATOM 749 N GLU A 882 11.399 -5.618 -0.467 1.00 0.00 N ATOM 750 CA GLU A 882 12.256 -5.016 0.535 1.00 0.00 C ATOM 751 C GLU A 882 13.649 -4.797 -0.036 1.00 0.00 C ATOM 752 O GLU A 882 14.066 -3.660 -0.245 1.00 0.00 O ATOM 753 CB GLU A 882 12.311 -5.919 1.764 1.00 0.00 C ATOM 754 CG GLU A 882 13.199 -5.279 2.827 1.00 0.00 C ATOM 755 CD GLU A 882 13.949 -6.341 3.619 1.00 0.00 C ATOM 756 OE1 GLU A 882 14.233 -7.400 3.020 1.00 0.00 O ATOM 757 OE2 GLU A 882 14.224 -6.072 4.808 1.00 0.00 O ATOM 0 H GLU A 882 10.633 -6.173 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 882 11.851 -4.047 0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.307 -6.075 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.702 -6.899 1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 882 13.911 -4.603 2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.590 -4.679 3.502 1.00 0.00 H new ATOM 764 N PHE A 883 14.371 -5.891 -0.289 1.00 0.00 N ATOM 765 CA PHE A 883 15.711 -5.812 -0.835 1.00 0.00 C ATOM 766 C PHE A 883 15.655 -5.316 -2.273 1.00 0.00 C ATOM 767 O PHE A 883 16.617 -5.469 -3.022 1.00 0.00 O ATOM 768 CB PHE A 883 16.371 -7.186 -0.761 1.00 0.00 C ATOM 769 CG PHE A 883 15.679 -8.233 -1.600 1.00 0.00 C ATOM 770 CD1 PHE A 883 16.004 -8.372 -2.955 1.00 0.00 C ATOM 771 CD2 PHE A 883 14.713 -9.066 -1.022 1.00 0.00 C ATOM 772 CE1 PHE A 883 15.363 -9.345 -3.732 1.00 0.00 C ATOM 773 CE2 PHE A 883 14.073 -10.039 -1.799 1.00 0.00 C ATOM 774 CZ PHE A 883 14.397 -10.178 -3.154 1.00 0.00 C ATOM 0 H PHE A 883 14.041 -6.841 -0.121 1.00 0.00 H new ATOM 0 HA PHE A 883 16.304 -5.107 -0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.408 -7.100 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.388 -7.517 0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 883 16.749 -7.729 -3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 883 14.462 -8.958 0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 883 15.614 -9.453 -4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 883 13.329 -10.683 -1.353 1.00 0.00 H new ATOM 0 HZ PHE A 883 13.902 -10.928 -3.753 1.00 0.00 H new ATOM 784 N ASP A 884 14.523 -4.721 -2.657 1.00 0.00 N ATOM 785 CA ASP A 884 14.348 -4.208 -4.001 1.00 0.00 C ATOM 786 C ASP A 884 13.493 -2.949 -3.964 1.00 0.00 C ATOM 787 O ASP A 884 12.275 -3.019 -4.107 1.00 0.00 O ATOM 788 CB ASP A 884 13.696 -5.279 -4.872 1.00 0.00 C ATOM 789 CG ASP A 884 14.605 -6.491 -5.015 1.00 0.00 C ATOM 790 OD1 ASP A 884 15.825 -6.313 -4.806 1.00 0.00 O ATOM 791 OD2 ASP A 884 14.064 -7.573 -5.330 1.00 0.00 O ATOM 0 H ASP A 884 13.716 -4.586 -2.047 1.00 0.00 H new ATOM 0 HA ASP A 884 15.318 -3.953 -4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 884 12.746 -5.582 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.475 -4.867 -5.857 1.00 0.00 H new ATOM 796 N MET A 885 14.135 -1.794 -3.771 1.00 0.00 N ATOM 797 CA MET A 885 13.429 -0.530 -3.715 1.00 0.00 C ATOM 798 C MET A 885 14.276 0.565 -4.348 1.00 0.00 C ATOM 799 O MET A 885 13.752 1.442 -5.031 1.00 0.00 O ATOM 800 CB MET A 885 13.109 -0.192 -2.262 1.00 0.00 C ATOM 801 CG MET A 885 14.109 -0.890 -1.345 1.00 0.00 C ATOM 802 SD MET A 885 13.655 -0.846 0.407 1.00 0.00 S ATOM 803 CE MET A 885 12.340 -2.090 0.396 1.00 0.00 C ATOM 0 H MET A 885 15.145 -1.718 -3.652 1.00 0.00 H new ATOM 0 HA MET A 885 12.495 -0.607 -4.272 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.152 0.887 -2.110 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.095 -0.508 -2.019 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.210 -1.929 -1.658 1.00 0.00 H new ATOM 0 HG3 MET A 885 15.087 -0.424 -1.468 1.00 0.00 H new ATOM 0 HE1 MET A 885 11.373 -1.598 0.499 1.00 0.00 H new ATOM 0 HE2 MET A 885 12.368 -2.641 -0.544 1.00 0.00 H new ATOM 0 HE3 MET A 885 12.486 -2.781 1.226 1.00 0.00 H new ATOM 813 N THR A 886 15.591 0.511 -4.121 1.00 0.00 N ATOM 814 CA THR A 886 16.499 1.497 -4.672 1.00 0.00 C ATOM 815 C THR A 886 15.736 2.461 -5.570 1.00 0.00 C ATOM 816 O THR A 886 15.852 3.675 -5.422 1.00 0.00 O ATOM 817 CB THR A 886 17.603 0.790 -5.453 1.00 0.00 C ATOM 818 OG1 THR A 886 17.112 0.406 -6.718 1.00 0.00 O ATOM 819 CG2 THR A 886 18.055 -0.449 -4.685 1.00 0.00 C ATOM 0 H THR A 886 16.043 -0.209 -3.558 1.00 0.00 H new ATOM 0 HA THR A 886 16.952 2.070 -3.863 1.00 0.00 H new ATOM 0 HB THR A 886 18.448 1.466 -5.582 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.821 -0.047 -7.221 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.844 -0.955 -5.242 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.434 -0.153 -3.707 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.210 -1.126 -4.557 1.00 0.00 H new ATOM 827 N SER A 887 14.954 1.915 -6.504 1.00 0.00 N ATOM 828 CA SER A 887 14.176 2.727 -7.418 1.00 0.00 C ATOM 829 C SER A 887 12.753 2.872 -6.899 1.00 0.00 C ATOM 830 O SER A 887 12.010 3.740 -7.350 1.00 0.00 O ATOM 831 CB SER A 887 14.184 2.083 -8.802 1.00 0.00 C ATOM 832 OG SER A 887 15.064 2.792 -9.645 1.00 0.00 O ATOM 0 H SER A 887 14.848 0.910 -6.641 1.00 0.00 H new ATOM 0 HA SER A 887 14.617 3.721 -7.491 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.495 1.041 -8.728 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.178 2.087 -9.222 1.00 0.00 H new ATOM 0 HG SER A 887 15.071 2.378 -10.533 1.00 0.00 H new ATOM 838 N ALA A 888 12.375 2.017 -5.945 1.00 0.00 N ATOM 839 CA ALA A 888 11.045 2.053 -5.370 1.00 0.00 C ATOM 840 C ALA A 888 10.661 3.490 -5.049 1.00 0.00 C ATOM 841 O ALA A 888 11.456 4.406 -5.249 1.00 0.00 O ATOM 842 CB ALA A 888 11.013 1.191 -4.111 1.00 0.00 C ATOM 0 H ALA A 888 12.980 1.292 -5.559 1.00 0.00 H new ATOM 0 HA ALA A 888 10.324 1.656 -6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 888 10.013 1.217 -3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.271 0.163 -4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.732 1.576 -3.388 1.00 0.00 H new ATOM 848 N THR A 889 9.439 3.688 -4.550 1.00 0.00 N ATOM 849 CA THR A 889 8.962 5.012 -4.206 1.00 0.00 C ATOM 850 C THR A 889 8.380 5.004 -2.800 1.00 0.00 C ATOM 851 O THR A 889 8.615 5.926 -2.022 1.00 0.00 O ATOM 852 CB THR A 889 7.913 5.453 -5.222 1.00 0.00 C ATOM 853 OG1 THR A 889 8.067 6.830 -5.488 1.00 0.00 O ATOM 854 CG2 THR A 889 6.518 5.198 -4.658 1.00 0.00 C ATOM 0 H THR A 889 8.767 2.941 -4.378 1.00 0.00 H new ATOM 0 HA THR A 889 9.792 5.718 -4.229 1.00 0.00 H new ATOM 0 HB THR A 889 8.041 4.887 -6.145 1.00 0.00 H new ATOM 0 HG1 THR A 889 7.197 7.218 -5.719 1.00 0.00 H new ATOM 0 HG21 THR A 889 5.769 5.513 -5.384 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.398 4.135 -4.451 1.00 0.00 H new ATOM 0 HG23 THR A 889 6.390 5.764 -3.735 1.00 0.00 H new ATOM 862 N HIS A 890 7.617 3.958 -2.473 1.00 0.00 N ATOM 863 CA HIS A 890 7.006 3.840 -1.164 1.00 0.00 C ATOM 864 C HIS A 890 7.455 2.548 -0.496 1.00 0.00 C ATOM 865 O HIS A 890 7.833 1.595 -1.173 1.00 0.00 O ATOM 866 CB HIS A 890 5.488 3.875 -1.307 1.00 0.00 C ATOM 867 CG HIS A 890 4.948 5.274 -1.429 1.00 0.00 C ATOM 868 ND1 HIS A 890 4.791 5.984 -2.597 1.00 0.00 N ATOM 869 CD2 HIS A 890 4.526 6.068 -0.397 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.282 7.186 -2.269 1.00 0.00 C ATOM 871 NE2 HIS A 890 4.103 7.285 -0.941 1.00 0.00 N ATOM 0 HA HIS A 890 7.319 4.675 -0.538 1.00 0.00 H new ATOM 0 HB2 HIS A 890 5.197 3.300 -2.186 1.00 0.00 H new ATOM 0 HB3 HIS A 890 5.035 3.389 -0.443 1.00 0.00 H new ATOM 0 HD2 HIS A 890 4.521 5.802 0.650 1.00 0.00 H new ATOM 0 HE1 HIS A 890 4.049 7.966 -2.978 1.00 0.00 H new ATOM 0 HE2 HIS A 890 3.733 8.087 -0.432 1.00 0.00 H new ATOM 879 N VAL A 891 7.412 2.518 0.839 1.00 0.00 N ATOM 880 CA VAL A 891 7.813 1.347 1.591 1.00 0.00 C ATOM 881 C VAL A 891 6.968 1.231 2.852 1.00 0.00 C ATOM 882 O VAL A 891 6.909 2.164 3.649 1.00 0.00 O ATOM 883 CB VAL A 891 9.295 1.450 1.940 1.00 0.00 C ATOM 884 CG1 VAL A 891 10.132 1.173 0.695 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.599 2.854 2.456 1.00 0.00 C ATOM 0 H VAL A 891 7.100 3.300 1.415 1.00 0.00 H new ATOM 0 HA VAL A 891 7.657 0.452 0.989 1.00 0.00 H new ATOM 0 HB VAL A 891 9.539 0.719 2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.191 1.247 0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 891 9.915 0.170 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 891 9.889 1.904 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.657 2.929 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.355 3.585 1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 891 9.002 3.052 3.346 1.00 0.00 H new ATOM 895 N LEU A 892 6.314 0.081 3.031 1.00 0.00 N ATOM 896 CA LEU A 892 5.478 -0.151 4.191 1.00 0.00 C ATOM 897 C LEU A 892 6.348 -0.444 5.405 1.00 0.00 C ATOM 898 O LEU A 892 7.102 -1.415 5.411 1.00 0.00 O ATOM 899 CB LEU A 892 4.531 -1.315 3.911 1.00 0.00 C ATOM 900 CG LEU A 892 3.110 -0.920 4.299 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.182 -1.119 3.105 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.639 -1.790 5.461 1.00 0.00 C ATOM 0 H LEU A 892 6.354 -0.702 2.379 1.00 0.00 H new ATOM 0 HA LEU A 892 4.886 0.740 4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.570 -1.583 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.842 -2.194 4.475 1.00 0.00 H new ATOM 0 HG LEU A 892 3.094 0.127 4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 892 1.166 -0.837 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.518 -0.497 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 892 2.198 -2.166 2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.623 -1.508 5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.655 -2.838 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.301 -1.647 6.315 1.00 0.00 H new ATOM 914 N GLY A 893 6.243 0.399 6.435 1.00 0.00 N ATOM 915 CA GLY A 893 7.022 0.222 7.645 1.00 0.00 C ATOM 916 C GLY A 893 8.506 0.164 7.313 1.00 0.00 C ATOM 917 O GLY A 893 8.951 -0.732 6.600 1.00 0.00 O ATOM 0 H GLY A 893 5.623 1.209 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.828 1.044 8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 893 6.719 -0.695 8.150 1.00 0.00 H new ATOM 921 N SER A 894 9.273 1.126 7.833 1.00 0.00 N ATOM 922 CA SER A 894 10.700 1.179 7.591 1.00 0.00 C ATOM 923 C SER A 894 10.967 1.699 6.185 1.00 0.00 C ATOM 924 O SER A 894 10.046 1.816 5.379 1.00 0.00 O ATOM 925 CB SER A 894 11.299 -0.213 7.775 1.00 0.00 C ATOM 926 OG SER A 894 11.726 -0.367 9.110 1.00 0.00 O ATOM 0 H SER A 894 8.919 1.877 8.425 1.00 0.00 H new ATOM 0 HA SER A 894 11.168 1.859 8.303 1.00 0.00 H new ATOM 0 HB2 SER A 894 10.559 -0.975 7.528 1.00 0.00 H new ATOM 0 HB3 SER A 894 12.139 -0.352 7.095 1.00 0.00 H new ATOM 0 HG SER A 894 12.109 -1.261 9.230 1.00 0.00 H new ATOM 932 N ARG A 895 12.232 2.009 5.892 1.00 0.00 N ATOM 933 CA ARG A 895 12.613 2.514 4.588 1.00 0.00 C ATOM 934 C ARG A 895 13.995 1.994 4.218 1.00 0.00 C ATOM 935 O ARG A 895 14.293 1.801 3.042 1.00 0.00 O ATOM 936 CB ARG A 895 12.597 4.039 4.609 1.00 0.00 C ATOM 937 CG ARG A 895 13.454 4.541 5.768 1.00 0.00 C ATOM 938 CD ARG A 895 13.805 6.009 5.543 1.00 0.00 C ATOM 939 NE ARG A 895 15.237 6.241 5.733 1.00 0.00 N ATOM 940 CZ ARG A 895 15.782 7.466 5.721 1.00 0.00 C ATOM 941 NH1 ARG A 895 15.006 8.542 5.531 1.00 0.00 N ATOM 942 NH2 ARG A 895 17.101 7.614 5.900 1.00 0.00 N ATOM 0 H ARG A 895 13.007 1.916 6.549 1.00 0.00 H new ATOM 0 HA ARG A 895 11.903 2.167 3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 895 12.977 4.430 3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.574 4.401 4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.916 4.425 6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 895 14.364 3.946 5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 895 13.516 6.305 4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 895 13.237 6.632 6.234 1.00 0.00 H new ATOM 0 HE ARG A 895 15.847 5.437 5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 895 14.001 8.429 5.396 1.00 0.00 H new ATOM 0 HH12 ARG A 895 15.420 9.474 5.522 1.00 0.00 H new ATOM 0 HH21 ARG A 895 17.691 6.795 6.045 1.00 0.00 H new ATOM 0 HH22 ARG A 895 17.516 8.546 5.891 1.00 0.00 H new ATOM 956 N ASP A 896 14.840 1.769 5.227 1.00 0.00 N ATOM 957 CA ASP A 896 16.183 1.275 5.003 1.00 0.00 C ATOM 958 C ASP A 896 16.308 0.749 3.580 1.00 0.00 C ATOM 959 O ASP A 896 16.878 1.414 2.719 1.00 0.00 O ATOM 960 CB ASP A 896 16.496 0.177 6.016 1.00 0.00 C ATOM 961 CG ASP A 896 15.228 -0.555 6.432 1.00 0.00 C ATOM 962 OD1 ASP A 896 14.337 0.123 6.987 1.00 0.00 O ATOM 963 OD2 ASP A 896 15.174 -1.780 6.188 1.00 0.00 O ATOM 0 H ASP A 896 14.608 1.925 6.208 1.00 0.00 H new ATOM 0 HA ASP A 896 16.900 2.086 5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 896 17.204 -0.530 5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 896 16.974 0.612 6.894 1.00 0.00 H new ATOM 968 N LYS A 897 15.773 -0.450 3.336 1.00 0.00 N ATOM 969 CA LYS A 897 15.828 -1.056 2.020 1.00 0.00 C ATOM 970 C LYS A 897 15.826 0.027 0.951 1.00 0.00 C ATOM 971 O LYS A 897 16.457 -0.127 -0.093 1.00 0.00 O ATOM 972 CB LYS A 897 14.637 -1.993 1.843 1.00 0.00 C ATOM 973 CG LYS A 897 13.726 -1.894 3.063 1.00 0.00 C ATOM 974 CD LYS A 897 12.848 -0.652 2.944 1.00 0.00 C ATOM 975 CE LYS A 897 12.286 -0.292 4.317 1.00 0.00 C ATOM 976 NZ LYS A 897 10.906 0.204 4.209 1.00 0.00 N ATOM 0 H LYS A 897 15.298 -1.015 4.040 1.00 0.00 H new ATOM 0 HA LYS A 897 16.747 -1.634 1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.085 -1.730 0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 897 14.983 -3.019 1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.104 -2.786 3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.324 -1.844 3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.429 0.181 2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 897 12.034 -0.835 2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.312 -1.168 4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.914 0.468 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.424 0.090 5.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.918 1.210 3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.399 -0.337 3.480 1.00 0.00 H new ATOM 990 N ASN A 898 15.114 1.125 1.212 1.00 0.00 N ATOM 991 CA ASN A 898 15.035 2.225 0.272 1.00 0.00 C ATOM 992 C ASN A 898 14.591 3.492 0.991 1.00 0.00 C ATOM 993 O ASN A 898 13.400 3.697 1.214 1.00 0.00 O ATOM 994 CB ASN A 898 14.059 1.868 -0.845 1.00 0.00 C ATOM 995 CG ASN A 898 14.562 2.377 -2.189 1.00 0.00 C ATOM 996 OD1 ASN A 898 15.765 2.541 -2.381 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.638 2.625 -3.120 1.00 0.00 N ATOM 0 H ASN A 898 14.585 1.268 2.072 1.00 0.00 H new ATOM 0 HA ASN A 898 16.018 2.406 -0.164 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.928 0.787 -0.887 1.00 0.00 H new ATOM 0 HB3 ASN A 898 13.081 2.300 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 898 13.919 2.966 -4.039 1.00 0.00 H new ATOM 0 HD22 ASN A 898 12.651 2.473 -2.912 1.00 0.00 H new ATOM 1004 N PRO A 899 15.555 4.342 1.354 1.00 0.00 N ATOM 1005 CA PRO A 899 15.322 5.593 2.042 1.00 0.00 C ATOM 1006 C PRO A 899 14.701 6.596 1.081 1.00 0.00 C ATOM 1007 O PRO A 899 14.213 7.643 1.503 1.00 0.00 O ATOM 1008 CB PRO A 899 16.705 6.053 2.496 1.00 0.00 C ATOM 1009 CG PRO A 899 17.624 5.472 1.423 1.00 0.00 C ATOM 1010 CD PRO A 899 16.965 4.131 1.108 1.00 0.00 C ATOM 0 HA PRO A 899 14.637 5.493 2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.775 7.140 2.543 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.952 5.675 3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.676 6.114 0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.644 5.347 1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 899 17.146 3.835 0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 899 17.362 3.337 1.741 1.00 0.00 H new ATOM 1018 N ALA A 900 14.721 6.276 -0.214 1.00 0.00 N ATOM 1019 CA ALA A 900 14.164 7.149 -1.227 1.00 0.00 C ATOM 1020 C ALA A 900 12.676 6.869 -1.388 1.00 0.00 C ATOM 1021 O ALA A 900 11.997 7.538 -2.164 1.00 0.00 O ATOM 1022 CB ALA A 900 14.900 6.933 -2.546 1.00 0.00 C ATOM 0 H ALA A 900 15.121 5.412 -0.579 1.00 0.00 H new ATOM 0 HA ALA A 900 14.288 8.189 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 900 14.481 7.590 -3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.958 7.159 -2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.788 5.895 -2.860 1.00 0.00 H new ATOM 1028 N ALA A 901 12.171 5.877 -0.651 1.00 0.00 N ATOM 1029 CA ALA A 901 10.770 5.514 -0.716 1.00 0.00 C ATOM 1030 C ALA A 901 9.996 6.248 0.369 1.00 0.00 C ATOM 1031 O ALA A 901 10.445 7.279 0.865 1.00 0.00 O ATOM 1032 CB ALA A 901 10.629 4.003 -0.553 1.00 0.00 C ATOM 0 H ALA A 901 12.721 5.314 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 901 10.360 5.802 -1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.575 3.729 -0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 901 11.173 3.499 -1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 901 11.038 3.701 0.411 1.00 0.00 H new ATOM 1038 N GLN A 902 8.829 5.714 0.738 1.00 0.00 N ATOM 1039 CA GLN A 902 8.000 6.321 1.760 1.00 0.00 C ATOM 1040 C GLN A 902 7.753 5.324 2.884 1.00 0.00 C ATOM 1041 O GLN A 902 7.449 4.161 2.629 1.00 0.00 O ATOM 1042 CB GLN A 902 6.682 6.775 1.140 1.00 0.00 C ATOM 1043 CG GLN A 902 6.695 8.291 0.968 1.00 0.00 C ATOM 1044 CD GLN A 902 7.187 8.976 2.234 1.00 0.00 C ATOM 1045 OE1 GLN A 902 7.839 10.016 2.166 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.874 8.391 3.393 1.00 0.00 N ATOM 0 H GLN A 902 8.443 4.859 0.337 1.00 0.00 H new ATOM 0 HA GLN A 902 8.508 7.190 2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 902 6.536 6.290 0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.848 6.478 1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 902 7.338 8.561 0.130 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.692 8.642 0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 902 6.330 7.528 3.398 1.00 0.00 H new ATOM 0 HE22 GLN A 902 7.178 8.807 4.273 1.00 0.00 H new ATOM 1055 N GLN A 903 7.884 5.784 4.131 1.00 0.00 N ATOM 1056 CA GLN A 903 7.674 4.932 5.284 1.00 0.00 C ATOM 1057 C GLN A 903 6.211 4.975 5.699 1.00 0.00 C ATOM 1058 O GLN A 903 5.869 5.569 6.720 1.00 0.00 O ATOM 1059 CB GLN A 903 8.574 5.396 6.427 1.00 0.00 C ATOM 1060 CG GLN A 903 9.993 4.883 6.198 1.00 0.00 C ATOM 1061 CD GLN A 903 10.981 6.038 6.115 1.00 0.00 C ATOM 1062 OE1 GLN A 903 11.597 6.404 7.114 1.00 0.00 O ATOM 1063 NE2 GLN A 903 11.130 6.613 4.919 1.00 0.00 N ATOM 0 H GLN A 903 8.135 6.746 4.359 1.00 0.00 H new ATOM 0 HA GLN A 903 7.928 3.903 5.032 1.00 0.00 H new ATOM 0 HB2 GLN A 903 8.574 6.484 6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 903 8.191 5.026 7.378 1.00 0.00 H new ATOM 0 HG2 GLN A 903 10.277 4.213 7.010 1.00 0.00 H new ATOM 0 HG3 GLN A 903 10.029 4.301 5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 903 10.596 6.273 4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 903 11.778 7.392 4.805 1.00 0.00 H new ATOM 1072 N VAL A 904 5.345 4.341 4.905 1.00 0.00 N ATOM 1073 CA VAL A 904 3.925 4.309 5.192 1.00 0.00 C ATOM 1074 C VAL A 904 3.604 3.104 6.065 1.00 0.00 C ATOM 1075 O VAL A 904 4.472 2.274 6.325 1.00 0.00 O ATOM 1076 CB VAL A 904 3.143 4.252 3.883 1.00 0.00 C ATOM 1077 CG1 VAL A 904 4.084 4.533 2.716 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.528 2.865 3.718 1.00 0.00 C ATOM 0 H VAL A 904 5.613 3.843 4.056 1.00 0.00 H new ATOM 0 HA VAL A 904 3.638 5.212 5.732 1.00 0.00 H new ATOM 0 HB VAL A 904 2.351 5.001 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.526 4.492 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.524 5.523 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.876 3.784 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.969 2.824 2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 904 3.319 2.116 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.855 2.664 4.552 1.00 0.00 H new ATOM 1088 N SER A 905 2.351 3.009 6.518 1.00 0.00 N ATOM 1089 CA SER A 905 1.924 1.907 7.356 1.00 0.00 C ATOM 1090 C SER A 905 0.728 1.211 6.724 1.00 0.00 C ATOM 1091 O SER A 905 0.323 1.552 5.615 1.00 0.00 O ATOM 1092 CB SER A 905 1.572 2.433 8.745 1.00 0.00 C ATOM 1093 OG SER A 905 0.171 2.537 8.866 1.00 0.00 O ATOM 0 H SER A 905 1.619 3.689 6.313 1.00 0.00 H new ATOM 0 HA SER A 905 2.732 1.182 7.450 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.965 1.763 9.510 1.00 0.00 H new ATOM 0 HB3 SER A 905 2.035 3.407 8.905 1.00 0.00 H new ATOM 0 HG SER A 905 -0.056 2.873 9.758 1.00 0.00 H new ATOM 1099 N PRO A 906 0.162 0.232 7.433 1.00 0.00 N ATOM 1100 CA PRO A 906 -0.983 -0.538 6.994 1.00 0.00 C ATOM 1101 C PRO A 906 -2.234 0.327 7.056 1.00 0.00 C ATOM 1102 O PRO A 906 -3.144 0.164 6.248 1.00 0.00 O ATOM 1103 CB PRO A 906 -1.073 -1.702 7.978 1.00 0.00 C ATOM 1104 CG PRO A 906 -0.497 -1.105 9.262 1.00 0.00 C ATOM 1105 CD PRO A 906 0.612 -0.195 8.740 1.00 0.00 C ATOM 0 HA PRO A 906 -0.889 -0.889 5.966 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -2.101 -2.038 8.114 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -0.498 -2.564 7.639 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -1.248 -0.548 9.822 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -0.109 -1.875 9.928 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.767 0.657 9.402 1.00 0.00 H new ATOM 0 HD3 PRO A 906 1.561 -0.727 8.676 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.277 1.249 8.021 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.416 2.131 8.181 1.00 0.00 C ATOM 1115 C GLU A 907 -3.426 3.173 7.072 1.00 0.00 C ATOM 1116 O GLU A 907 -4.467 3.752 6.769 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.351 2.800 9.552 1.00 0.00 C ATOM 1118 CG GLU A 907 -4.064 1.926 10.579 1.00 0.00 C ATOM 1119 CD GLU A 907 -3.524 0.504 10.552 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -2.281 0.368 10.579 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -4.363 -0.421 10.504 1.00 0.00 O ATOM 0 H GLU A 907 -1.531 1.398 8.700 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.338 1.554 8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.312 2.951 9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -3.817 3.785 9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -3.934 2.349 11.575 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -5.134 1.917 10.374 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.261 3.412 6.465 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.146 4.380 5.393 1.00 0.00 C ATOM 1130 C TRP A 908 -2.933 3.906 4.179 1.00 0.00 C ATOM 1131 O TRP A 908 -3.505 4.715 3.452 1.00 0.00 O ATOM 1132 CB TRP A 908 -0.675 4.576 5.041 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.420 5.474 3.873 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.387 6.823 3.919 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.163 5.116 2.481 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.129 7.322 2.659 1.00 0.00 N ATOM 1137 CE2 TRP A 908 0.018 6.310 1.732 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.064 3.904 1.773 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 0.283 6.305 0.360 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 0.200 3.887 0.396 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.374 5.082 -0.312 1.00 0.00 C ATOM 0 H TRP A 908 -1.387 2.943 6.705 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.559 5.335 5.717 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.159 4.981 5.912 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.233 3.601 4.834 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.539 7.420 4.806 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.056 8.315 2.440 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.194 2.970 2.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.416 7.234 -0.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 0.270 2.943 -0.123 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.578 5.060 -1.372 1.00 0.00 H new ATOM 1152 N ILE A 909 -2.960 2.589 3.962 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.675 2.011 2.841 1.00 0.00 C ATOM 1154 C ILE A 909 -5.173 2.189 3.041 1.00 0.00 C ATOM 1155 O ILE A 909 -5.876 2.618 2.128 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.316 0.533 2.717 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -2.072 0.383 1.845 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.479 -0.220 2.079 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -1.059 -0.511 2.554 1.00 0.00 C ATOM 0 H ILE A 909 -2.490 1.906 4.556 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.389 2.518 1.920 1.00 0.00 H new ATOM 0 HB ILE A 909 -3.117 0.123 3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.341 -0.048 0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.634 1.361 1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.224 -1.276 1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.367 -0.113 2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.678 0.190 1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.170 -0.619 1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.782 -0.062 3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.500 -1.492 2.730 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.663 1.857 4.238 1.00 0.00 N ATOM 1172 CA TRP A 910 -7.073 1.984 4.545 1.00 0.00 C ATOM 1173 C TRP A 910 -7.519 3.425 4.345 1.00 0.00 C ATOM 1174 O TRP A 910 -8.452 3.690 3.589 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.322 1.536 5.982 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.819 0.167 6.311 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -6.035 -0.144 7.367 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -7.046 -1.088 5.600 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.764 -1.496 7.358 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.364 -2.128 6.288 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.759 -1.454 4.445 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -6.387 -3.457 5.855 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.789 -2.785 4.002 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -7.106 -3.786 4.703 1.00 0.00 C ATOM 0 H TRP A 910 -5.095 1.498 5.006 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.653 1.350 3.874 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -6.852 2.252 6.657 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.394 1.570 6.177 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -5.676 0.558 8.105 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -5.191 -1.970 8.056 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -8.293 -0.698 3.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.856 -4.220 6.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -8.344 -3.040 3.112 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -7.135 -4.808 4.355 1.00 0.00 H new ATOM 1195 N ALA A 911 -6.850 4.358 5.025 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.180 5.765 4.920 1.00 0.00 C ATOM 1197 C ALA A 911 -6.967 6.239 3.489 1.00 0.00 C ATOM 1198 O ALA A 911 -7.821 6.921 2.926 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.312 6.564 5.889 1.00 0.00 C ATOM 0 H ALA A 911 -6.074 4.155 5.655 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.227 5.918 5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.559 7.623 5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.495 6.223 6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.261 6.418 5.641 1.00 0.00 H new ATOM 1205 N CYS A 912 -5.824 5.876 2.903 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.501 6.261 1.544 1.00 0.00 C ATOM 1207 C CYS A 912 -6.581 5.754 0.600 1.00 0.00 C ATOM 1208 O CYS A 912 -7.108 6.516 -0.207 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.137 5.691 1.165 1.00 0.00 C ATOM 1210 SG CYS A 912 -3.951 5.777 -0.634 1.00 0.00 S ATOM 0 H CYS A 912 -5.107 5.312 3.360 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.457 7.347 1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -3.343 6.255 1.654 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.051 4.659 1.505 1.00 0.00 H new ATOM 0 HG CYS A 912 -3.154 4.831 -1.034 1.00 0.00 H new ATOM 1216 N ILE A 913 -6.910 4.464 0.702 1.00 0.00 N ATOM 1217 CA ILE A 913 -7.925 3.863 -0.141 1.00 0.00 C ATOM 1218 C ILE A 913 -9.174 4.732 -0.141 1.00 0.00 C ATOM 1219 O ILE A 913 -9.448 5.428 -1.117 1.00 0.00 O ATOM 1220 CB ILE A 913 -8.241 2.460 0.368 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -6.953 1.646 0.452 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -9.212 1.778 -0.592 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -7.200 0.386 1.278 1.00 0.00 C ATOM 0 H ILE A 913 -6.481 3.820 1.366 1.00 0.00 H new ATOM 0 HA ILE A 913 -7.558 3.789 -1.165 1.00 0.00 H new ATOM 0 HB ILE A 913 -8.693 2.526 1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -6.614 1.377 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -6.162 2.243 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -9.438 0.775 -0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -10.132 2.359 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -8.759 1.712 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -6.280 -0.196 1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -7.519 0.666 2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -7.978 -0.213 0.804 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.933 4.692 0.956 1.00 0.00 N ATOM 1236 CA ARG A 914 -11.147 5.473 1.076 1.00 0.00 C ATOM 1237 C ARG A 914 -10.878 6.912 0.662 1.00 0.00 C ATOM 1238 O ARG A 914 -11.681 7.518 -0.044 1.00 0.00 O ATOM 1239 CB ARG A 914 -11.651 5.410 2.515 1.00 0.00 C ATOM 1240 CG ARG A 914 -13.144 5.095 2.518 1.00 0.00 C ATOM 1241 CD ARG A 914 -13.926 6.330 2.082 1.00 0.00 C ATOM 1242 NE ARG A 914 -14.562 6.981 3.228 1.00 0.00 N ATOM 1243 CZ ARG A 914 -15.354 8.055 3.105 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -15.593 8.577 1.894 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -15.907 8.608 4.194 1.00 0.00 N ATOM 0 H ARG A 914 -9.719 4.121 1.774 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.913 5.064 0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -11.106 4.646 3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -11.468 6.360 3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -13.352 4.263 1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -13.459 4.785 3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -13.256 7.032 1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -14.685 6.045 1.354 1.00 0.00 H new ATOM 0 HE ARG A 914 -14.395 6.601 4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -15.172 8.157 1.065 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -16.196 9.394 1.801 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -15.725 8.211 5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -16.510 9.425 4.101 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.743 7.460 1.102 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.375 8.823 0.774 1.00 0.00 C ATOM 1261 C LYS A 915 -9.320 8.995 -0.737 1.00 0.00 C ATOM 1262 O LYS A 915 -9.411 10.112 -1.241 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.025 9.150 1.405 1.00 0.00 C ATOM 1264 CG LYS A 915 -8.208 9.393 2.900 1.00 0.00 C ATOM 1265 CD LYS A 915 -8.842 10.764 3.120 1.00 0.00 C ATOM 1266 CE LYS A 915 -9.271 10.899 4.578 1.00 0.00 C ATOM 1267 NZ LYS A 915 -9.254 12.306 5.005 1.00 0.00 N ATOM 0 H LYS A 915 -9.066 6.972 1.688 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.123 9.510 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.327 8.329 1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -7.595 10.033 0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -8.839 8.616 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -7.245 9.340 3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -8.131 11.550 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -9.703 10.888 2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -10.273 10.489 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -8.604 10.315 5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -9.550 12.370 6.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -8.292 12.688 4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -9.908 12.856 4.413 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.170 7.883 -1.460 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.102 7.915 -2.907 1.00 0.00 C ATOM 1283 C ARG A 916 -7.893 8.727 -3.349 1.00 0.00 C ATOM 1284 O ARG A 916 -7.677 8.924 -4.543 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.390 8.517 -3.462 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.254 7.410 -4.058 1.00 0.00 C ATOM 1287 CD ARG A 916 -12.278 6.951 -3.024 1.00 0.00 C ATOM 1288 NE ARG A 916 -13.624 7.399 -3.382 1.00 0.00 N ATOM 1289 CZ ARG A 916 -14.179 8.508 -2.875 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -13.495 9.260 -2.001 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -15.417 8.866 -3.242 1.00 0.00 N ATOM 0 H ARG A 916 -9.094 6.949 -1.057 1.00 0.00 H new ATOM 0 HA ARG A 916 -8.994 6.901 -3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -10.934 9.031 -2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.157 9.261 -4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -11.761 7.772 -4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -10.629 6.571 -4.364 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -12.261 5.864 -2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -12.010 7.343 -2.043 1.00 0.00 H new ATOM 0 HE ARG A 916 -14.163 6.843 -4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -12.552 8.988 -1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -13.917 10.104 -1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -15.937 8.294 -3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -15.839 9.710 -2.856 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.103 9.199 -2.382 1.00 0.00 N ATOM 1306 CA ARG A 917 -5.923 9.986 -2.674 1.00 0.00 C ATOM 1307 C ARG A 917 -4.857 9.730 -1.618 1.00 0.00 C ATOM 1308 O ARG A 917 -5.084 9.970 -0.434 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.297 11.465 -2.717 1.00 0.00 C ATOM 1310 CG ARG A 917 -7.589 11.686 -1.935 1.00 0.00 C ATOM 1311 CD ARG A 917 -8.775 11.659 -2.895 1.00 0.00 C ATOM 1312 NE ARG A 917 -9.988 12.156 -2.244 1.00 0.00 N ATOM 1313 CZ ARG A 917 -11.164 12.253 -2.879 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -11.264 11.886 -4.164 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -12.240 12.717 -2.229 1.00 0.00 N ATOM 0 H ARG A 917 -7.268 9.044 -1.388 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.520 9.698 -3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -5.494 12.067 -2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -6.425 11.789 -3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -7.704 10.912 -1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -7.552 12.642 -1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -8.552 12.268 -3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -8.939 10.641 -3.248 1.00 0.00 H new ATOM 0 HE ARG A 917 -9.936 12.440 -1.266 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -10.445 11.533 -4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -12.159 11.960 -4.647 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -12.164 12.996 -1.251 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -13.135 12.791 -2.712 1.00 0.00 H new ATOM 1329 N LEU A 918 -3.692 9.241 -2.049 1.00 0.00 N ATOM 1330 CA LEU A 918 -2.599 8.956 -1.141 1.00 0.00 C ATOM 1331 C LEU A 918 -2.583 9.979 -0.014 1.00 0.00 C ATOM 1332 O LEU A 918 -2.527 11.181 -0.265 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.281 8.977 -1.909 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.216 7.771 -2.841 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -1.510 6.500 -2.050 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -2.251 7.930 -3.952 1.00 0.00 C ATOM 0 H LEU A 918 -3.489 9.036 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 918 -2.734 7.966 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.198 9.899 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.442 8.958 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.220 7.704 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -1.464 5.638 -2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -0.771 6.386 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -2.506 6.566 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -2.205 7.069 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -3.247 7.997 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -2.041 8.838 -4.518 1.00 0.00 H new ATOM 1348 N VAL A 919 -2.632 9.499 1.231 1.00 0.00 N ATOM 1349 CA VAL A 919 -2.623 10.371 2.388 1.00 0.00 C ATOM 1350 C VAL A 919 -1.221 10.431 2.976 1.00 0.00 C ATOM 1351 O VAL A 919 -0.266 9.967 2.357 1.00 0.00 O ATOM 1352 CB VAL A 919 -3.621 9.856 3.420 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -4.540 8.825 2.770 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -2.867 9.207 4.577 1.00 0.00 C ATOM 0 H VAL A 919 -2.678 8.505 1.455 1.00 0.00 H new ATOM 0 HA VAL A 919 -2.915 11.379 2.092 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.217 10.688 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.253 8.457 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.079 9.288 1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -3.945 7.993 2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -3.580 8.839 5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.271 8.375 4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.211 9.943 5.042 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.099 11.004 4.176 1.00 0.00 N ATOM 1365 CA ALA A 920 0.184 11.122 4.840 1.00 0.00 C ATOM 1366 C ALA A 920 0.692 9.741 5.228 1.00 0.00 C ATOM 1367 O ALA A 920 0.070 9.053 6.034 1.00 0.00 O ATOM 1368 CB ALA A 920 0.038 12.011 6.071 1.00 0.00 C ATOM 0 H ALA A 920 -1.882 11.392 4.702 1.00 0.00 H new ATOM 0 HA ALA A 920 0.908 11.577 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 920 1.002 12.101 6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.306 12.999 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -0.686 11.569 6.755 1.00 0.00 H new ATOM 1374 N PRO A 921 1.826 9.336 4.651 1.00 0.00 N ATOM 1375 CA PRO A 921 2.457 8.058 4.900 1.00 0.00 C ATOM 1376 C PRO A 921 3.080 8.058 6.289 1.00 0.00 C ATOM 1377 O PRO A 921 3.827 8.969 6.636 1.00 0.00 O ATOM 1378 CB PRO A 921 3.529 7.933 3.819 1.00 0.00 C ATOM 1379 CG PRO A 921 3.915 9.388 3.557 1.00 0.00 C ATOM 1380 CD PRO A 921 2.583 10.120 3.699 1.00 0.00 C ATOM 0 HA PRO A 921 1.755 7.225 4.866 1.00 0.00 H new ATOM 0 HB2 PRO A 921 4.380 7.344 4.160 1.00 0.00 H new ATOM 0 HB3 PRO A 921 3.144 7.448 2.922 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.653 9.747 4.275 1.00 0.00 H new ATOM 0 HG3 PRO A 921 4.346 9.520 2.564 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.729 11.140 4.055 1.00 0.00 H new ATOM 0 HD3 PRO A 921 2.065 10.187 2.742 1.00 0.00 H new ATOM 1388 N CYS A 922 2.769 7.031 7.083 1.00 0.00 N ATOM 1389 CA CYS A 922 3.295 6.913 8.428 1.00 0.00 C ATOM 1390 C CYS A 922 3.273 5.453 8.857 1.00 0.00 C ATOM 1391 O CYS A 922 3.997 5.063 9.771 1.00 0.00 O ATOM 1392 CB CYS A 922 2.461 7.769 9.377 1.00 0.00 C ATOM 1393 SG CYS A 922 0.710 7.406 9.101 1.00 0.00 S ATOM 0 H CYS A 922 2.150 6.268 6.807 1.00 0.00 H new ATOM 0 HA CYS A 922 4.326 7.267 8.455 1.00 0.00 H new ATOM 0 HB2 CYS A 922 2.732 7.559 10.412 1.00 0.00 H new ATOM 0 HB3 CYS A 922 2.659 8.827 9.204 1.00 0.00 H new ATOM 0 HG CYS A 922 0.328 7.940 7.979 1.00 0.00 H new