USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=19 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 847 LEU H : A 847 LEU N : A 871 TYR OH :(H bumps) USER MOD NoAdj-H: A 855 ARGHH21 : A 855 ARG NH2 : A 878 ASP CG :(H bumps) USER MOD NoAdj-H: A 855 ARGHH22 : A 855 ARG NH2 : A 878 ASP CG :(H bumps) USER MOD Single : A 836 SER OG : rot 180:sc= 0 USER MOD Single : A 840 THR OG1 : rot -170:sc= -1.28! USER MOD Single : A 842 CYS SG : rot 13:sc= -4.44 USER MOD Single : A 843 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ 156:sc= -3.34! (180deg=-4.68!) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.258 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -110:sc= -1.08! USER MOD Single : A 866 SER OG : rot 180:sc= 0 USER MOD Single : A 881 GLN : amide:sc= -0.769 X(o=-0.77,f=-0.83) USER MOD Single : A 885 MET CE :methyl 143:sc= -17.2! (180deg=-25.1!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.6 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 889 THR OG1 : rot 180:sc= 0 USER MOD Single : A 890 HIS : no HD1:sc= -16.2! C(o=-16!,f=-25!) USER MOD Single : A 894 SER OG : rot 180:sc=-0.00174 USER MOD Single : A 897 LYS NZ :NH3+ 148:sc= -17.8! (180deg=-19.6!) USER MOD Single : A 898 ASN : amide:sc= -22.4! C(o=-22!,f=-28!) USER MOD Single : A 902 GLN : amide:sc= -3.18! C(o=-3.2!,f=-1.4!) USER MOD Single : A 903 GLN : amide:sc= -13.3! C(o=-13!,f=-14!) USER MOD Single : A 905 SER OG : rot -160:sc= -3.08! USER MOD Single : A 912 CYS SG : rot -152:sc= -14.1! USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 835 -15.409 -1.501 10.997 1.00 0.00 N ATOM 2 CA GLY A 835 -13.985 -1.272 10.855 1.00 0.00 C ATOM 3 C GLY A 835 -13.700 -0.510 9.568 1.00 0.00 C ATOM 4 O GLY A 835 -14.577 0.168 9.037 1.00 0.00 O ATOM 0 HA2 GLY A 835 -13.613 -0.708 11.710 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -13.455 -2.225 10.847 1.00 0.00 H new ATOM 8 N SER A 836 -12.467 -0.623 9.067 1.00 0.00 N ATOM 9 CA SER A 836 -12.074 0.053 7.848 1.00 0.00 C ATOM 10 C SER A 836 -12.018 -0.944 6.699 1.00 0.00 C ATOM 11 O SER A 836 -12.689 -0.765 5.685 1.00 0.00 O ATOM 12 CB SER A 836 -10.716 0.719 8.052 1.00 0.00 C ATOM 13 OG SER A 836 -10.826 1.715 9.043 1.00 0.00 O ATOM 0 H SER A 836 -11.728 -1.181 9.496 1.00 0.00 H new ATOM 0 HA SER A 836 -12.808 0.820 7.601 1.00 0.00 H new ATOM 0 HB2 SER A 836 -9.975 -0.024 8.348 1.00 0.00 H new ATOM 0 HB3 SER A 836 -10.370 1.158 7.116 1.00 0.00 H new ATOM 0 HG SER A 836 -9.954 2.142 9.176 1.00 0.00 H new ATOM 19 N ALA A 837 -11.216 -1.999 6.861 1.00 0.00 N ATOM 20 CA ALA A 837 -11.077 -3.018 5.840 1.00 0.00 C ATOM 21 C ALA A 837 -12.451 -3.527 5.430 1.00 0.00 C ATOM 22 O ALA A 837 -12.738 -3.658 4.242 1.00 0.00 O ATOM 23 CB ALA A 837 -10.214 -4.157 6.374 1.00 0.00 C ATOM 0 H ALA A 837 -10.654 -2.162 7.697 1.00 0.00 H new ATOM 0 HA ALA A 837 -10.592 -2.595 4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -10.109 -4.924 5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -9.229 -3.773 6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -10.686 -4.589 7.256 1.00 0.00 H new ATOM 29 N ASP A 838 -13.302 -3.816 6.417 1.00 0.00 N ATOM 30 CA ASP A 838 -14.638 -4.311 6.154 1.00 0.00 C ATOM 31 C ASP A 838 -15.483 -3.206 5.536 1.00 0.00 C ATOM 32 O ASP A 838 -16.587 -3.460 5.060 1.00 0.00 O ATOM 33 CB ASP A 838 -15.262 -4.805 7.456 1.00 0.00 C ATOM 34 CG ASP A 838 -15.876 -3.652 8.237 1.00 0.00 C ATOM 35 OD1 ASP A 838 -15.350 -2.527 8.096 1.00 0.00 O ATOM 36 OD2 ASP A 838 -16.860 -3.918 8.961 1.00 0.00 O ATOM 0 H ASP A 838 -13.080 -3.712 7.407 1.00 0.00 H new ATOM 0 HA ASP A 838 -14.591 -5.143 5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -16.027 -5.550 7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -14.503 -5.297 8.064 1.00 0.00 H new ATOM 41 N GLU A 839 -14.963 -1.977 5.545 1.00 0.00 N ATOM 42 CA GLU A 839 -15.674 -0.845 4.986 1.00 0.00 C ATOM 43 C GLU A 839 -15.369 -0.724 3.499 1.00 0.00 C ATOM 44 O GLU A 839 -16.123 -0.097 2.757 1.00 0.00 O ATOM 45 CB GLU A 839 -15.267 0.426 5.726 1.00 0.00 C ATOM 46 CG GLU A 839 -16.366 0.817 6.709 1.00 0.00 C ATOM 47 CD GLU A 839 -17.273 1.884 6.113 1.00 0.00 C ATOM 48 OE1 GLU A 839 -17.499 1.816 4.886 1.00 0.00 O ATOM 49 OE2 GLU A 839 -17.724 2.747 6.897 1.00 0.00 O ATOM 0 H GLU A 839 -14.049 -1.749 5.936 1.00 0.00 H new ATOM 0 HA GLU A 839 -16.748 -0.992 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -14.329 0.265 6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -15.096 1.234 5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -16.955 -0.062 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -15.919 1.188 7.632 1.00 0.00 H new ATOM 56 N THR A 840 -14.260 -1.326 3.064 1.00 0.00 N ATOM 57 CA THR A 840 -13.867 -1.283 1.670 1.00 0.00 C ATOM 58 C THR A 840 -13.617 -2.693 1.157 1.00 0.00 C ATOM 59 O THR A 840 -14.460 -3.265 0.469 1.00 0.00 O ATOM 60 CB THR A 840 -12.613 -0.425 1.524 1.00 0.00 C ATOM 61 OG1 THR A 840 -11.498 -1.257 1.294 1.00 0.00 O ATOM 62 CG2 THR A 840 -12.393 0.378 2.802 1.00 0.00 C ATOM 0 H THR A 840 -13.623 -1.848 3.665 1.00 0.00 H new ATOM 0 HA THR A 840 -14.668 -0.841 1.077 1.00 0.00 H new ATOM 0 HB THR A 840 -12.737 0.258 0.683 1.00 0.00 H new ATOM 0 HG1 THR A 840 -10.676 -0.727 1.357 1.00 0.00 H new ATOM 0 HG21 THR A 840 -11.497 0.990 2.697 1.00 0.00 H new ATOM 0 HG22 THR A 840 -13.254 1.022 2.980 1.00 0.00 H new ATOM 0 HG23 THR A 840 -12.270 -0.304 3.643 1.00 0.00 H new ATOM 70 N LEU A 841 -12.454 -3.255 1.494 1.00 0.00 N ATOM 71 CA LEU A 841 -12.099 -4.594 1.068 1.00 0.00 C ATOM 72 C LEU A 841 -13.328 -5.492 1.109 1.00 0.00 C ATOM 73 O LEU A 841 -13.366 -6.526 0.445 1.00 0.00 O ATOM 74 CB LEU A 841 -11.000 -5.141 1.974 1.00 0.00 C ATOM 75 CG LEU A 841 -10.443 -6.430 1.377 1.00 0.00 C ATOM 76 CD1 LEU A 841 -9.422 -7.036 2.335 1.00 0.00 C ATOM 77 CD2 LEU A 841 -11.583 -7.421 1.155 1.00 0.00 C ATOM 0 H LEU A 841 -11.745 -2.794 2.064 1.00 0.00 H new ATOM 0 HA LEU A 841 -11.727 -4.567 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -10.204 -4.405 2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -11.397 -5.331 2.971 1.00 0.00 H new ATOM 0 HG LEU A 841 -9.961 -6.210 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -9.024 -7.957 1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -8.608 -6.329 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -9.903 -7.256 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -11.186 -8.342 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -12.065 -7.640 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -12.313 -6.989 0.470 1.00 0.00 H new ATOM 89 N CYS A 842 -14.333 -5.093 1.891 1.00 0.00 N ATOM 90 CA CYS A 842 -15.558 -5.857 2.017 1.00 0.00 C ATOM 91 C CYS A 842 -16.058 -6.251 0.634 1.00 0.00 C ATOM 92 O CYS A 842 -17.020 -7.006 0.513 1.00 0.00 O ATOM 93 CB CYS A 842 -16.603 -5.023 2.753 1.00 0.00 C ATOM 94 SG CYS A 842 -16.515 -3.318 2.153 1.00 0.00 S ATOM 0 H CYS A 842 -14.314 -4.238 2.447 1.00 0.00 H new ATOM 0 HA CYS A 842 -15.371 -6.766 2.589 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -17.599 -5.432 2.584 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -16.423 -5.055 3.828 1.00 0.00 H new ATOM 0 HG CYS A 842 -15.788 -3.274 1.076 1.00 0.00 H new ATOM 100 N GLN A 843 -15.402 -5.739 -0.410 1.00 0.00 N ATOM 101 CA GLN A 843 -15.785 -6.040 -1.775 1.00 0.00 C ATOM 102 C GLN A 843 -14.674 -6.822 -2.462 1.00 0.00 C ATOM 103 O GLN A 843 -14.550 -6.785 -3.684 1.00 0.00 O ATOM 104 CB GLN A 843 -16.071 -4.739 -2.520 1.00 0.00 C ATOM 105 CG GLN A 843 -16.589 -3.693 -1.538 1.00 0.00 C ATOM 106 CD GLN A 843 -18.087 -3.484 -1.707 1.00 0.00 C ATOM 107 OE1 GLN A 843 -18.843 -4.449 -1.805 1.00 0.00 O ATOM 108 NE2 GLN A 843 -18.515 -2.220 -1.740 1.00 0.00 N ATOM 0 H GLN A 843 -14.601 -5.113 -0.327 1.00 0.00 H new ATOM 0 HA GLN A 843 -16.687 -6.651 -1.778 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -15.164 -4.379 -3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -16.807 -4.912 -3.305 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -16.375 -4.009 -0.517 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -16.066 -2.750 -1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -17.848 -1.453 -1.655 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -19.509 -2.021 -1.851 1.00 0.00 H new ATOM 117 N THR A 844 -13.866 -7.534 -1.673 1.00 0.00 N ATOM 118 CA THR A 844 -12.774 -8.319 -2.212 1.00 0.00 C ATOM 119 C THR A 844 -11.702 -7.399 -2.778 1.00 0.00 C ATOM 120 O THR A 844 -11.710 -7.090 -3.968 1.00 0.00 O ATOM 121 CB THR A 844 -13.308 -9.255 -3.293 1.00 0.00 C ATOM 122 OG1 THR A 844 -13.291 -10.582 -2.815 1.00 0.00 O ATOM 123 CG2 THR A 844 -12.429 -9.151 -4.536 1.00 0.00 C ATOM 0 H THR A 844 -13.955 -7.577 -0.658 1.00 0.00 H new ATOM 0 HA THR A 844 -12.326 -8.917 -1.418 1.00 0.00 H new ATOM 0 HB THR A 844 -14.330 -8.972 -3.546 1.00 0.00 H new ATOM 0 HG1 THR A 844 -13.635 -11.184 -3.508 1.00 0.00 H new ATOM 0 HG21 THR A 844 -12.810 -9.819 -5.308 1.00 0.00 H new ATOM 0 HG22 THR A 844 -12.441 -8.126 -4.905 1.00 0.00 H new ATOM 0 HG23 THR A 844 -11.407 -9.434 -4.284 1.00 0.00 H new ATOM 131 N LYS A 845 -10.778 -6.959 -1.921 1.00 0.00 N ATOM 132 CA LYS A 845 -9.707 -6.078 -2.339 1.00 0.00 C ATOM 133 C LYS A 845 -10.286 -4.842 -3.014 1.00 0.00 C ATOM 134 O LYS A 845 -9.580 -3.858 -3.221 1.00 0.00 O ATOM 135 CB LYS A 845 -8.776 -6.826 -3.290 1.00 0.00 C ATOM 136 CG LYS A 845 -8.639 -8.275 -2.831 1.00 0.00 C ATOM 137 CD LYS A 845 -7.734 -8.338 -1.604 1.00 0.00 C ATOM 138 CE LYS A 845 -8.585 -8.262 -0.340 1.00 0.00 C ATOM 139 NZ LYS A 845 -8.880 -9.607 0.179 1.00 0.00 N ATOM 0 H LYS A 845 -10.758 -7.205 -0.931 1.00 0.00 H new ATOM 0 HA LYS A 845 -9.136 -5.757 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -9.171 -6.791 -4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -7.798 -6.346 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -9.620 -8.687 -2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -8.224 -8.884 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -7.157 -9.263 -1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -7.019 -7.516 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -8.062 -7.682 0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -9.517 -7.739 -0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -9.085 -9.549 1.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -9.705 -9.998 -0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -8.058 -10.226 0.026 1.00 0.00 H new ATOM 153 N VAL A 846 -11.575 -4.897 -3.356 1.00 0.00 N ATOM 154 CA VAL A 846 -12.242 -3.786 -4.003 1.00 0.00 C ATOM 155 C VAL A 846 -11.244 -3.008 -4.848 1.00 0.00 C ATOM 156 O VAL A 846 -11.496 -2.739 -6.021 1.00 0.00 O ATOM 157 CB VAL A 846 -12.873 -2.885 -2.945 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.322 -3.732 -1.758 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.848 -1.856 -2.477 1.00 0.00 C ATOM 0 H VAL A 846 -12.172 -5.707 -3.191 1.00 0.00 H new ATOM 0 HA VAL A 846 -13.029 -4.161 -4.658 1.00 0.00 H new ATOM 0 HB VAL A 846 -13.735 -2.372 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.773 -3.089 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -14.054 -4.468 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -12.461 -4.245 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -12.298 -1.212 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -10.986 -2.369 -2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -11.527 -1.251 -3.325 1.00 0.00 H new ATOM 169 N LEU A 847 -10.106 -2.646 -4.250 1.00 0.00 N ATOM 170 CA LEU A 847 -9.077 -1.902 -4.948 1.00 0.00 C ATOM 171 C LEU A 847 -9.496 -0.446 -5.087 1.00 0.00 C ATOM 172 O LEU A 847 -9.744 0.229 -4.091 1.00 0.00 O ATOM 173 CB LEU A 847 -8.839 -2.530 -6.319 1.00 0.00 C ATOM 174 CG LEU A 847 -8.794 -4.049 -6.182 1.00 0.00 C ATOM 175 CD1 LEU A 847 -7.785 -4.433 -5.104 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.177 -4.565 -5.793 1.00 0.00 C ATOM 0 HA LEU A 847 -8.148 -1.938 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.633 -2.240 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -7.903 -2.164 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 847 -8.495 -4.491 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -7.753 -5.518 -5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -6.798 -4.064 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.083 -3.991 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.146 -5.650 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.476 -4.123 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -10.898 -4.291 -6.563 1.00 0.00 H new ATOM 188 N LEU A 848 -9.575 0.038 -6.329 1.00 0.00 N ATOM 189 CA LEU A 848 -9.963 1.409 -6.593 1.00 0.00 C ATOM 190 C LEU A 848 -8.728 2.249 -6.883 1.00 0.00 C ATOM 191 O LEU A 848 -7.622 1.891 -6.483 1.00 0.00 O ATOM 192 CB LEU A 848 -10.722 1.963 -5.390 1.00 0.00 C ATOM 193 CG LEU A 848 -12.006 2.637 -5.865 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.951 2.824 -4.682 1.00 0.00 C ATOM 195 CD2 LEU A 848 -11.671 3.998 -6.469 1.00 0.00 C ATOM 0 H LEU A 848 -9.373 -0.509 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.615 1.444 -7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.957 1.159 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -10.100 2.679 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 848 -12.487 2.013 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.868 3.305 -5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -13.190 1.852 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.471 3.448 -3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -12.587 4.481 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -11.190 4.622 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -10.996 3.865 -7.314 1.00 0.00 H new ATOM 207 N ASP A 849 -8.917 3.371 -7.582 1.00 0.00 N ATOM 208 CA ASP A 849 -7.820 4.254 -7.923 1.00 0.00 C ATOM 209 C ASP A 849 -7.308 4.947 -6.668 1.00 0.00 C ATOM 210 O ASP A 849 -7.350 6.171 -6.573 1.00 0.00 O ATOM 211 CB ASP A 849 -8.292 5.277 -8.952 1.00 0.00 C ATOM 212 CG ASP A 849 -8.908 4.588 -10.161 1.00 0.00 C ATOM 213 OD1 ASP A 849 -9.895 3.850 -9.953 1.00 0.00 O ATOM 214 OD2 ASP A 849 -8.379 4.812 -11.272 1.00 0.00 O ATOM 0 H ASP A 849 -9.827 3.683 -7.920 1.00 0.00 H new ATOM 0 HA ASP A 849 -7.003 3.676 -8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -9.024 5.945 -8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -7.451 5.894 -9.269 1.00 0.00 H new ATOM 219 N ILE A 850 -6.824 4.159 -5.705 1.00 0.00 N ATOM 220 CA ILE A 850 -6.306 4.698 -4.463 1.00 0.00 C ATOM 221 C ILE A 850 -4.807 4.930 -4.588 1.00 0.00 C ATOM 222 O ILE A 850 -4.378 5.952 -5.119 1.00 0.00 O ATOM 223 CB ILE A 850 -6.611 3.730 -3.323 1.00 0.00 C ATOM 224 CG1 ILE A 850 -7.728 2.781 -3.746 1.00 0.00 C ATOM 225 CG2 ILE A 850 -7.051 4.517 -2.092 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.951 3.008 -2.862 1.00 0.00 C ATOM 0 H ILE A 850 -6.784 3.142 -5.770 1.00 0.00 H new ATOM 0 HA ILE A 850 -6.785 5.653 -4.248 1.00 0.00 H new ATOM 0 HB ILE A 850 -5.716 3.154 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -7.986 2.949 -4.792 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -7.393 1.747 -3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -7.269 3.826 -1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -6.253 5.195 -1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.946 5.093 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -9.749 2.330 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.688 2.818 -1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -9.291 4.038 -2.968 1.00 0.00 H new ATOM 238 N PHE A 851 -4.010 3.978 -4.098 1.00 0.00 N ATOM 239 CA PHE A 851 -2.566 4.086 -4.160 1.00 0.00 C ATOM 240 C PHE A 851 -2.135 4.450 -5.573 1.00 0.00 C ATOM 241 O PHE A 851 -0.963 4.317 -5.921 1.00 0.00 O ATOM 242 CB PHE A 851 -1.939 2.764 -3.726 1.00 0.00 C ATOM 243 CG PHE A 851 -2.521 2.212 -2.447 1.00 0.00 C ATOM 244 CD1 PHE A 851 -1.985 2.593 -1.212 1.00 0.00 C ATOM 245 CD2 PHE A 851 -3.600 1.320 -2.496 1.00 0.00 C ATOM 246 CE1 PHE A 851 -2.526 2.083 -0.025 1.00 0.00 C ATOM 247 CE2 PHE A 851 -4.141 0.810 -1.310 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.604 1.191 -0.075 1.00 0.00 C ATOM 0 H PHE A 851 -4.349 3.125 -3.654 1.00 0.00 H new ATOM 0 HA PHE A 851 -2.227 4.872 -3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -2.070 2.031 -4.522 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.866 2.905 -3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -1.153 3.281 -1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -4.014 1.026 -3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -2.112 2.378 0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -4.973 0.122 -1.348 1.00 0.00 H new ATOM 0 HZ PHE A 851 -4.021 0.797 0.840 1.00 0.00 H new ATOM 258 N THR A 852 -3.085 4.911 -6.390 1.00 0.00 N ATOM 259 CA THR A 852 -2.794 5.291 -7.758 1.00 0.00 C ATOM 260 C THR A 852 -1.333 5.696 -7.884 1.00 0.00 C ATOM 261 O THR A 852 -0.925 6.733 -7.365 1.00 0.00 O ATOM 262 CB THR A 852 -3.711 6.439 -8.171 1.00 0.00 C ATOM 263 OG1 THR A 852 -4.135 6.246 -9.502 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.953 7.759 -8.065 1.00 0.00 C ATOM 0 H THR A 852 -4.062 5.027 -6.119 1.00 0.00 H new ATOM 0 HA THR A 852 -2.972 4.443 -8.420 1.00 0.00 H new ATOM 0 HB THR A 852 -4.580 6.465 -7.513 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.725 6.982 -9.767 1.00 0.00 H new ATOM 0 HG21 THR A 852 -3.608 8.579 -8.360 1.00 0.00 H new ATOM 0 HG22 THR A 852 -2.625 7.909 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 852 -2.084 7.734 -8.723 1.00 0.00 H new ATOM 272 N GLY A 853 -0.542 4.875 -8.579 1.00 0.00 N ATOM 273 CA GLY A 853 0.867 5.154 -8.768 1.00 0.00 C ATOM 274 C GLY A 853 1.533 5.436 -7.428 1.00 0.00 C ATOM 275 O GLY A 853 2.017 6.541 -7.193 1.00 0.00 O ATOM 0 H GLY A 853 -0.863 4.012 -9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.351 4.306 -9.251 1.00 0.00 H new ATOM 0 HA3 GLY A 853 0.990 6.011 -9.430 1.00 0.00 H new ATOM 279 N VAL A 854 1.557 4.431 -6.549 1.00 0.00 N ATOM 280 CA VAL A 854 2.161 4.574 -5.240 1.00 0.00 C ATOM 281 C VAL A 854 3.213 3.493 -5.039 1.00 0.00 C ATOM 282 O VAL A 854 2.890 2.307 -5.008 1.00 0.00 O ATOM 283 CB VAL A 854 1.079 4.483 -4.169 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.714 4.096 -2.836 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.386 5.835 -4.029 1.00 0.00 C ATOM 0 H VAL A 854 1.161 3.509 -6.730 1.00 0.00 H new ATOM 0 HA VAL A 854 2.648 5.546 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 854 0.347 3.728 -4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 854 0.941 4.031 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 854 2.209 3.130 -2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.446 4.851 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -0.387 5.770 -3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.117 6.591 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -0.068 6.112 -4.981 1.00 0.00 H new ATOM 295 N ARG A 855 4.476 3.904 -4.900 1.00 0.00 N ATOM 296 CA ARG A 855 5.567 2.972 -4.703 1.00 0.00 C ATOM 297 C ARG A 855 5.610 2.528 -3.247 1.00 0.00 C ATOM 298 O ARG A 855 6.649 2.623 -2.598 1.00 0.00 O ATOM 299 CB ARG A 855 6.881 3.636 -5.104 1.00 0.00 C ATOM 300 CG ARG A 855 6.993 3.663 -6.626 1.00 0.00 C ATOM 301 CD ARG A 855 6.849 2.246 -7.172 1.00 0.00 C ATOM 302 NE ARG A 855 5.854 2.194 -8.244 1.00 0.00 N ATOM 303 CZ ARG A 855 5.909 1.303 -9.242 1.00 0.00 C ATOM 304 NH1 ARG A 855 6.904 0.407 -9.287 1.00 0.00 N ATOM 305 NH2 ARG A 855 4.968 1.306 -10.196 1.00 0.00 N ATOM 0 H ARG A 855 4.760 4.883 -4.922 1.00 0.00 H new ATOM 0 HA ARG A 855 5.415 2.091 -5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 855 6.924 4.650 -4.707 1.00 0.00 H new ATOM 0 HB3 ARG A 855 7.722 3.090 -4.676 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.220 4.306 -7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 855 7.954 4.083 -6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 855 7.811 1.898 -7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 855 6.557 1.571 -6.368 1.00 0.00 H new ATOM 0 HE ARG A 855 5.086 2.865 -8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 855 7.620 0.403 -8.561 1.00 0.00 H new ATOM 0 HH12 ARG A 855 6.945 -0.271 -10.047 1.00 0.00 H new ATOM 319 N LEU A 856 4.476 2.043 -2.736 1.00 0.00 N ATOM 320 CA LEU A 856 4.390 1.587 -1.363 1.00 0.00 C ATOM 321 C LEU A 856 4.982 0.190 -1.243 1.00 0.00 C ATOM 322 O LEU A 856 4.490 -0.750 -1.862 1.00 0.00 O ATOM 323 CB LEU A 856 2.931 1.595 -0.915 1.00 0.00 C ATOM 324 CG LEU A 856 2.816 0.936 0.456 1.00 0.00 C ATOM 325 CD1 LEU A 856 2.342 -0.505 0.290 1.00 0.00 C ATOM 326 CD2 LEU A 856 4.179 0.948 1.142 1.00 0.00 C ATOM 0 H LEU A 856 3.606 1.959 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 856 4.959 2.257 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 856 2.559 2.619 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 856 2.314 1.063 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 856 2.098 1.486 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 856 2.260 -0.976 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 856 1.368 -0.514 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 856 3.059 -1.056 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 856 4.097 0.477 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 856 4.897 0.398 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 856 4.517 1.977 1.261 1.00 0.00 H new ATOM 338 N TYR A 857 6.043 0.057 -0.444 1.00 0.00 N ATOM 339 CA TYR A 857 6.696 -1.223 -0.251 1.00 0.00 C ATOM 340 C TYR A 857 5.928 -2.044 0.775 1.00 0.00 C ATOM 341 O TYR A 857 5.964 -1.744 1.966 1.00 0.00 O ATOM 342 CB TYR A 857 8.134 -0.994 0.206 1.00 0.00 C ATOM 343 CG TYR A 857 8.597 -1.978 1.254 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.256 -3.331 1.143 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.367 -1.536 2.337 1.00 0.00 C ATOM 346 CE1 TYR A 857 8.685 -4.243 2.116 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.796 -2.448 3.309 1.00 0.00 C ATOM 348 CZ TYR A 857 9.455 -3.801 3.198 1.00 0.00 C ATOM 349 OH TYR A 857 9.872 -4.689 4.146 1.00 0.00 O ATOM 0 H TYR A 857 6.463 0.827 0.077 1.00 0.00 H new ATOM 0 HA TYR A 857 6.710 -1.775 -1.191 1.00 0.00 H new ATOM 0 HB2 TYR A 857 8.796 -1.057 -0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.224 0.017 0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 857 7.662 -3.672 0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.630 -0.492 2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.422 -5.287 2.031 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.390 -2.108 4.144 1.00 0.00 H new ATOM 0 HH TYR A 857 10.397 -4.218 4.827 1.00 0.00 H new ATOM 359 N LEU A 858 5.232 -3.084 0.309 1.00 0.00 N ATOM 360 CA LEU A 858 4.460 -3.942 1.186 1.00 0.00 C ATOM 361 C LEU A 858 5.376 -4.962 1.847 1.00 0.00 C ATOM 362 O LEU A 858 5.883 -5.865 1.186 1.00 0.00 O ATOM 363 CB LEU A 858 3.367 -4.639 0.381 1.00 0.00 C ATOM 364 CG LEU A 858 2.228 -5.041 1.313 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.747 -5.124 2.745 1.00 0.00 C ATOM 366 CD2 LEU A 858 1.114 -4.000 1.233 1.00 0.00 C ATOM 0 H LEU A 858 5.193 -3.346 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 858 3.992 -3.343 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.996 -3.975 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.772 -5.520 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 858 1.838 -6.013 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 858 1.933 -5.411 3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.542 -5.868 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 858 3.137 -4.152 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.300 -4.287 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 858 1.503 -3.027 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.743 -3.942 0.210 1.00 0.00 H new ATOM 378 N PRO A 859 5.586 -4.815 3.158 1.00 0.00 N ATOM 379 CA PRO A 859 6.423 -5.689 3.952 1.00 0.00 C ATOM 380 C PRO A 859 5.728 -7.029 4.141 1.00 0.00 C ATOM 381 O PRO A 859 4.508 -7.084 4.282 1.00 0.00 O ATOM 382 CB PRO A 859 6.589 -4.964 5.286 1.00 0.00 C ATOM 383 CG PRO A 859 5.285 -4.178 5.409 1.00 0.00 C ATOM 384 CD PRO A 859 5.006 -3.765 3.966 1.00 0.00 C ATOM 0 HA PRO A 859 7.386 -5.895 3.485 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.720 -5.663 6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.459 -4.307 5.284 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.481 -4.789 5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.393 -3.314 6.064 1.00 0.00 H new ATOM 0 HD2 PRO A 859 3.936 -3.671 3.782 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.455 -2.798 3.738 1.00 0.00 H new ATOM 392 N PRO A 860 6.508 -8.113 4.143 1.00 0.00 N ATOM 393 CA PRO A 860 6.023 -9.466 4.310 1.00 0.00 C ATOM 394 C PRO A 860 5.599 -9.682 5.756 1.00 0.00 C ATOM 395 O PRO A 860 4.890 -10.639 6.060 1.00 0.00 O ATOM 396 CB PRO A 860 7.212 -10.355 3.950 1.00 0.00 C ATOM 397 CG PRO A 860 8.410 -9.493 4.346 1.00 0.00 C ATOM 398 CD PRO A 860 7.945 -8.085 3.981 1.00 0.00 C ATOM 0 HA PRO A 860 5.155 -9.685 3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 860 7.193 -11.297 4.497 1.00 0.00 H new ATOM 0 HB3 PRO A 860 7.225 -10.603 2.889 1.00 0.00 H new ATOM 0 HG2 PRO A 860 8.639 -9.581 5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 860 9.311 -9.776 3.801 1.00 0.00 H new ATOM 0 HD2 PRO A 860 8.401 -7.338 4.630 1.00 0.00 H new ATOM 0 HD3 PRO A 860 8.222 -7.830 2.958 1.00 0.00 H new ATOM 406 N SER A 861 6.035 -8.790 6.647 1.00 0.00 N ATOM 407 CA SER A 861 5.699 -8.888 8.053 1.00 0.00 C ATOM 408 C SER A 861 4.366 -8.201 8.315 1.00 0.00 C ATOM 409 O SER A 861 3.787 -8.353 9.388 1.00 0.00 O ATOM 410 CB SER A 861 6.808 -8.252 8.887 1.00 0.00 C ATOM 411 OG SER A 861 7.427 -9.241 9.678 1.00 0.00 O ATOM 0 H SER A 861 6.624 -7.991 6.410 1.00 0.00 H new ATOM 0 HA SER A 861 5.606 -9.937 8.335 1.00 0.00 H new ATOM 0 HB2 SER A 861 7.543 -7.780 8.235 1.00 0.00 H new ATOM 0 HB3 SER A 861 6.396 -7.468 9.522 1.00 0.00 H new ATOM 0 HG SER A 861 8.140 -8.833 10.212 1.00 0.00 H new ATOM 417 N THR A 862 3.879 -7.443 7.330 1.00 0.00 N ATOM 418 CA THR A 862 2.619 -6.741 7.462 1.00 0.00 C ATOM 419 C THR A 862 1.464 -7.731 7.394 1.00 0.00 C ATOM 420 O THR A 862 1.514 -8.697 6.636 1.00 0.00 O ATOM 421 CB THR A 862 2.501 -5.697 6.355 1.00 0.00 C ATOM 422 OG1 THR A 862 2.698 -4.411 6.899 1.00 0.00 O ATOM 423 CG2 THR A 862 1.112 -5.776 5.727 1.00 0.00 C ATOM 0 H THR A 862 4.346 -7.305 6.434 1.00 0.00 H new ATOM 0 HA THR A 862 2.581 -6.236 8.427 1.00 0.00 H new ATOM 0 HB THR A 862 3.256 -5.889 5.593 1.00 0.00 H new ATOM 0 HG1 THR A 862 1.851 -3.919 6.890 1.00 0.00 H new ATOM 0 HG21 THR A 862 1.027 -5.031 4.936 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.959 -6.770 5.307 1.00 0.00 H new ATOM 0 HG23 THR A 862 0.357 -5.584 6.489 1.00 0.00 H new ATOM 431 N PRO A 863 0.421 -7.487 8.191 1.00 0.00 N ATOM 432 CA PRO A 863 -0.763 -8.316 8.260 1.00 0.00 C ATOM 433 C PRO A 863 -1.593 -8.126 6.999 1.00 0.00 C ATOM 434 O PRO A 863 -1.610 -7.042 6.421 1.00 0.00 O ATOM 435 CB PRO A 863 -1.517 -7.818 9.492 1.00 0.00 C ATOM 436 CG PRO A 863 -1.127 -6.342 9.554 1.00 0.00 C ATOM 437 CD PRO A 863 0.330 -6.361 9.095 1.00 0.00 C ATOM 0 HA PRO A 863 -0.534 -9.379 8.333 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -2.594 -7.948 9.387 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.218 -8.354 10.393 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -1.750 -5.731 8.901 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -1.229 -5.938 10.561 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.599 -5.430 8.595 1.00 0.00 H new ATOM 0 HD3 PRO A 863 1.009 -6.477 9.940 1.00 0.00 H new ATOM 445 N ASP A 864 -2.282 -9.187 6.570 1.00 0.00 N ATOM 446 CA ASP A 864 -3.106 -9.132 5.380 1.00 0.00 C ATOM 447 C ASP A 864 -2.239 -8.827 4.167 1.00 0.00 C ATOM 448 O ASP A 864 -2.749 -8.424 3.124 1.00 0.00 O ATOM 449 CB ASP A 864 -4.184 -8.067 5.557 1.00 0.00 C ATOM 450 CG ASP A 864 -5.536 -8.704 5.848 1.00 0.00 C ATOM 451 OD1 ASP A 864 -5.631 -9.379 6.896 1.00 0.00 O ATOM 452 OD2 ASP A 864 -6.448 -8.502 5.018 1.00 0.00 O ATOM 0 H ASP A 864 -2.279 -10.093 7.038 1.00 0.00 H new ATOM 0 HA ASP A 864 -3.590 -10.096 5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -3.910 -7.398 6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -4.251 -7.458 4.655 1.00 0.00 H new ATOM 457 N PHE A 865 -0.926 -9.019 4.305 1.00 0.00 N ATOM 458 CA PHE A 865 0.001 -8.763 3.221 1.00 0.00 C ATOM 459 C PHE A 865 -0.585 -9.270 1.910 1.00 0.00 C ATOM 460 O PHE A 865 -0.636 -8.536 0.926 1.00 0.00 O ATOM 461 CB PHE A 865 1.332 -9.447 3.519 1.00 0.00 C ATOM 462 CG PHE A 865 2.400 -9.163 2.490 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.152 -8.249 1.458 1.00 0.00 C ATOM 464 CD2 PHE A 865 3.636 -9.815 2.564 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.141 -7.987 0.503 1.00 0.00 C ATOM 466 CE2 PHE A 865 4.625 -9.553 1.608 1.00 0.00 C ATOM 467 CZ PHE A 865 4.377 -8.639 0.578 1.00 0.00 C ATOM 0 H PHE A 865 -0.487 -9.352 5.163 1.00 0.00 H new ATOM 0 HA PHE A 865 0.171 -7.690 3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 865 1.687 -9.123 4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 865 1.173 -10.524 3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 865 1.198 -7.747 1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 865 3.827 -10.521 3.359 1.00 0.00 H new ATOM 0 HE1 PHE A 865 2.950 -7.281 -0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 865 5.579 -10.056 1.666 1.00 0.00 H new ATOM 0 HZ PHE A 865 5.140 -8.437 -0.159 1.00 0.00 H new ATOM 477 N SER A 866 -1.027 -10.529 1.900 1.00 0.00 N ATOM 478 CA SER A 866 -1.607 -11.125 0.713 1.00 0.00 C ATOM 479 C SER A 866 -2.193 -10.038 -0.177 1.00 0.00 C ATOM 480 O SER A 866 -1.559 -9.611 -1.139 1.00 0.00 O ATOM 481 CB SER A 866 -2.682 -12.128 1.121 1.00 0.00 C ATOM 482 OG SER A 866 -2.228 -13.437 0.857 1.00 0.00 O ATOM 0 H SER A 866 -0.990 -11.151 2.708 1.00 0.00 H new ATOM 0 HA SER A 866 -0.834 -11.649 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 866 -2.913 -12.019 2.181 1.00 0.00 H new ATOM 0 HB3 SER A 866 -3.603 -11.933 0.572 1.00 0.00 H new ATOM 0 HG SER A 866 -2.917 -14.082 1.120 1.00 0.00 H new ATOM 488 N ARG A 867 -3.408 -9.590 0.148 1.00 0.00 N ATOM 489 CA ARG A 867 -4.074 -8.558 -0.621 1.00 0.00 C ATOM 490 C ARG A 867 -3.249 -7.279 -0.589 1.00 0.00 C ATOM 491 O ARG A 867 -3.033 -6.651 -1.623 1.00 0.00 O ATOM 492 CB ARG A 867 -5.467 -8.316 -0.047 1.00 0.00 C ATOM 493 CG ARG A 867 -5.403 -8.354 1.477 1.00 0.00 C ATOM 494 CD ARG A 867 -6.404 -9.379 2.003 1.00 0.00 C ATOM 495 NE ARG A 867 -6.206 -10.681 1.368 1.00 0.00 N ATOM 496 CZ ARG A 867 -6.497 -11.839 1.977 1.00 0.00 C ATOM 497 NH1 ARG A 867 -6.994 -11.834 3.222 1.00 0.00 N ATOM 498 NH2 ARG A 867 -6.291 -13.001 1.343 1.00 0.00 N ATOM 0 H ARG A 867 -3.946 -9.933 0.944 1.00 0.00 H new ATOM 0 HA ARG A 867 -4.173 -8.878 -1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -5.847 -7.351 -0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.159 -9.075 -0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -4.396 -8.613 1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -5.627 -7.369 1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -6.295 -9.477 3.083 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -7.419 -9.030 1.815 1.00 0.00 H new ATOM 0 HE ARG A 867 -5.830 -10.709 0.420 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -7.150 -10.949 3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -7.216 -12.715 3.686 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -5.912 -13.005 0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -6.513 -13.882 1.807 1.00 0.00 H new ATOM 512 N LEU A 868 -2.786 -6.894 0.603 1.00 0.00 N ATOM 513 CA LEU A 868 -1.988 -5.695 0.763 1.00 0.00 C ATOM 514 C LEU A 868 -1.105 -5.495 -0.461 1.00 0.00 C ATOM 515 O LEU A 868 -1.043 -4.398 -1.011 1.00 0.00 O ATOM 516 CB LEU A 868 -1.141 -5.813 2.027 1.00 0.00 C ATOM 517 CG LEU A 868 -1.971 -5.392 3.236 1.00 0.00 C ATOM 518 CD1 LEU A 868 -1.303 -4.204 3.923 1.00 0.00 C ATOM 519 CD2 LEU A 868 -3.371 -4.994 2.778 1.00 0.00 C ATOM 0 H LEU A 868 -2.956 -7.404 1.470 1.00 0.00 H new ATOM 0 HA LEU A 868 -2.643 -4.829 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -0.793 -6.839 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.255 -5.184 1.944 1.00 0.00 H new ATOM 0 HG LEU A 868 -2.041 -6.224 3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -1.896 -3.903 4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -0.303 -4.488 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -1.233 -3.371 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.964 -4.693 3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -3.302 -4.162 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -3.848 -5.842 2.288 1.00 0.00 H new ATOM 531 N ARG A 869 -0.422 -6.560 -0.886 1.00 0.00 N ATOM 532 CA ARG A 869 0.453 -6.497 -2.039 1.00 0.00 C ATOM 533 C ARG A 869 -0.376 -6.491 -3.315 1.00 0.00 C ATOM 534 O ARG A 869 -0.594 -5.439 -3.912 1.00 0.00 O ATOM 535 CB ARG A 869 1.406 -7.688 -2.019 1.00 0.00 C ATOM 536 CG ARG A 869 2.758 -7.268 -2.589 1.00 0.00 C ATOM 537 CD ARG A 869 3.558 -8.511 -2.969 1.00 0.00 C ATOM 538 NE ARG A 869 4.811 -8.579 -2.217 1.00 0.00 N ATOM 539 CZ ARG A 869 5.718 -7.592 -2.227 1.00 0.00 C ATOM 540 NH1 ARG A 869 5.494 -6.483 -2.946 1.00 0.00 N ATOM 541 NH2 ARG A 869 6.848 -7.714 -1.518 1.00 0.00 N ATOM 0 H ARG A 869 -0.464 -7.477 -0.441 1.00 0.00 H new ATOM 0 HA ARG A 869 1.040 -5.579 -2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 869 1.527 -8.053 -0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 869 0.992 -8.509 -2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 869 2.615 -6.633 -3.463 1.00 0.00 H new ATOM 0 HG3 ARG A 869 3.307 -6.679 -1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 869 2.964 -9.404 -2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 869 3.772 -8.498 -4.038 1.00 0.00 H new ATOM 0 HE ARG A 869 5.003 -9.413 -1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 869 4.633 -6.390 -3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 869 6.184 -5.732 -2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 869 7.018 -8.558 -0.971 1.00 0.00 H new ATOM 0 HH22 ARG A 869 7.538 -6.963 -1.525 1.00 0.00 H new ATOM 555 N ARG A 870 -0.839 -7.671 -3.734 1.00 0.00 N ATOM 556 CA ARG A 870 -1.640 -7.797 -4.935 1.00 0.00 C ATOM 557 C ARG A 870 -2.562 -6.594 -5.067 1.00 0.00 C ATOM 558 O ARG A 870 -2.504 -5.870 -6.059 1.00 0.00 O ATOM 559 CB ARG A 870 -2.445 -9.091 -4.875 1.00 0.00 C ATOM 560 CG ARG A 870 -2.352 -9.811 -6.218 1.00 0.00 C ATOM 561 CD ARG A 870 -0.974 -10.454 -6.356 1.00 0.00 C ATOM 562 NE ARG A 870 -0.868 -11.651 -5.522 1.00 0.00 N ATOM 563 CZ ARG A 870 0.127 -12.539 -5.651 1.00 0.00 C ATOM 564 NH1 ARG A 870 1.080 -12.348 -6.574 1.00 0.00 N ATOM 565 NH2 ARG A 870 0.170 -13.618 -4.858 1.00 0.00 N ATOM 0 H ARG A 870 -0.667 -8.552 -3.250 1.00 0.00 H new ATOM 0 HA ARG A 870 -0.990 -7.830 -5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -2.065 -9.732 -4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -3.486 -8.873 -4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -3.129 -10.572 -6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -2.520 -9.107 -7.033 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -0.794 -10.716 -7.399 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -0.204 -9.738 -6.070 1.00 0.00 H new ATOM 0 HE ARG A 870 -1.582 -11.817 -4.812 1.00 0.00 H new ATOM 0 HH11 ARG A 870 1.048 -11.527 -7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 870 1.838 -13.024 -6.672 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -0.555 -13.764 -4.156 1.00 0.00 H new ATOM 0 HH22 ARG A 870 0.928 -14.294 -4.957 1.00 0.00 H new ATOM 579 N TYR A 871 -3.417 -6.380 -4.064 1.00 0.00 N ATOM 580 CA TYR A 871 -4.346 -5.268 -4.076 1.00 0.00 C ATOM 581 C TYR A 871 -3.617 -3.991 -4.468 1.00 0.00 C ATOM 582 O TYR A 871 -3.933 -3.382 -5.488 1.00 0.00 O ATOM 583 CB TYR A 871 -4.983 -5.125 -2.697 1.00 0.00 C ATOM 584 CG TYR A 871 -6.285 -4.360 -2.711 1.00 0.00 C ATOM 585 CD1 TYR A 871 -6.642 -3.607 -3.836 1.00 0.00 C ATOM 586 CD2 TYR A 871 -7.135 -4.403 -1.600 1.00 0.00 C ATOM 587 CE1 TYR A 871 -7.848 -2.897 -3.850 1.00 0.00 C ATOM 588 CE2 TYR A 871 -8.342 -3.694 -1.614 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.699 -2.941 -2.739 1.00 0.00 C ATOM 590 OH TYR A 871 -9.875 -2.250 -2.752 1.00 0.00 O ATOM 0 H TYR A 871 -3.478 -6.970 -3.234 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.132 -5.453 -4.808 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.158 -6.117 -2.282 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.282 -4.621 -2.032 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -5.986 -3.574 -4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -6.860 -4.983 -0.732 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -8.122 -2.315 -4.718 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -8.998 -3.728 -0.757 1.00 0.00 H new ATOM 600 N PHE A 872 -2.638 -3.586 -3.656 1.00 0.00 N ATOM 601 CA PHE A 872 -1.872 -2.385 -3.924 1.00 0.00 C ATOM 602 C PHE A 872 -1.452 -2.356 -5.386 1.00 0.00 C ATOM 603 O PHE A 872 -2.175 -1.832 -6.231 1.00 0.00 O ATOM 604 CB PHE A 872 -0.651 -2.348 -3.009 1.00 0.00 C ATOM 605 CG PHE A 872 -0.060 -0.968 -2.849 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.396 -0.267 -3.972 1.00 0.00 C ATOM 607 CD2 PHE A 872 0.030 -0.388 -1.578 1.00 0.00 C ATOM 608 CE1 PHE A 872 0.942 1.014 -3.823 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.576 0.893 -1.429 1.00 0.00 C ATOM 610 CZ PHE A 872 1.032 1.593 -2.552 1.00 0.00 C ATOM 0 H PHE A 872 -2.363 -4.080 -2.807 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.485 -1.506 -3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -0.931 -2.731 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 872 0.112 -3.017 -3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.327 -0.714 -4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.322 -0.929 -0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.294 1.555 -4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 872 0.645 1.340 -0.448 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.454 2.581 -2.438 1.00 0.00 H new ATOM 620 N VAL A 873 -0.280 -2.922 -5.684 1.00 0.00 N ATOM 621 CA VAL A 873 0.230 -2.958 -7.040 1.00 0.00 C ATOM 622 C VAL A 873 -0.928 -3.061 -8.022 1.00 0.00 C ATOM 623 O VAL A 873 -0.864 -2.512 -9.120 1.00 0.00 O ATOM 624 CB VAL A 873 1.178 -4.143 -7.194 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.574 -5.370 -6.517 1.00 0.00 C ATOM 626 CG2 VAL A 873 1.391 -4.434 -8.677 1.00 0.00 C ATOM 0 H VAL A 873 0.330 -3.361 -4.995 1.00 0.00 H new ATOM 0 HA VAL A 873 0.780 -2.041 -7.252 1.00 0.00 H new ATOM 0 HB VAL A 873 2.135 -3.906 -6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 873 1.251 -6.217 -6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.421 -5.163 -5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.383 -5.608 -6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 873 2.068 -5.281 -8.788 1.00 0.00 H new ATOM 0 HG22 VAL A 873 0.434 -4.671 -9.142 1.00 0.00 H new ATOM 0 HG23 VAL A 873 1.823 -3.558 -9.161 1.00 0.00 H new ATOM 636 N ALA A 874 -1.989 -3.768 -7.625 1.00 0.00 N ATOM 637 CA ALA A 874 -3.153 -3.940 -8.470 1.00 0.00 C ATOM 638 C ALA A 874 -3.752 -2.581 -8.806 1.00 0.00 C ATOM 639 O ALA A 874 -3.683 -2.136 -9.949 1.00 0.00 O ATOM 640 CB ALA A 874 -4.174 -4.820 -7.755 1.00 0.00 C ATOM 0 H ALA A 874 -2.057 -4.229 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 874 -2.863 -4.427 -9.401 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.050 -4.950 -8.390 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -3.731 -5.793 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -4.471 -4.346 -6.819 1.00 0.00 H new ATOM 646 N PHE A 875 -4.341 -1.923 -7.805 1.00 0.00 N ATOM 647 CA PHE A 875 -4.947 -0.621 -8.001 1.00 0.00 C ATOM 648 C PHE A 875 -4.309 0.071 -9.198 1.00 0.00 C ATOM 649 O PHE A 875 -5.008 0.638 -10.034 1.00 0.00 O ATOM 650 CB PHE A 875 -4.773 0.215 -6.736 1.00 0.00 C ATOM 651 CG PHE A 875 -5.381 -0.417 -5.507 1.00 0.00 C ATOM 652 CD1 PHE A 875 -6.740 -0.229 -5.224 1.00 0.00 C ATOM 653 CD2 PHE A 875 -4.588 -1.188 -4.650 1.00 0.00 C ATOM 654 CE1 PHE A 875 -7.304 -0.813 -4.084 1.00 0.00 C ATOM 655 CE2 PHE A 875 -5.152 -1.771 -3.509 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.510 -1.584 -3.226 1.00 0.00 C ATOM 0 H PHE A 875 -4.407 -2.279 -6.851 1.00 0.00 H new ATOM 0 HA PHE A 875 -6.012 -0.737 -8.200 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.710 0.379 -6.562 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -5.225 1.194 -6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -7.352 0.366 -5.885 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -3.540 -1.333 -4.869 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -8.352 -0.669 -3.866 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -4.539 -2.365 -2.847 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.945 -2.034 -2.346 1.00 0.00 H new ATOM 666 N ASP A 876 -2.977 0.023 -9.277 1.00 0.00 N ATOM 667 CA ASP A 876 -2.254 0.644 -10.369 1.00 0.00 C ATOM 668 C ASP A 876 -0.943 1.221 -9.855 1.00 0.00 C ATOM 669 O ASP A 876 -0.227 1.894 -10.593 1.00 0.00 O ATOM 670 CB ASP A 876 -3.118 1.736 -10.993 1.00 0.00 C ATOM 671 CG ASP A 876 -3.938 1.185 -12.151 1.00 0.00 C ATOM 672 OD1 ASP A 876 -3.725 -0.001 -12.483 1.00 0.00 O ATOM 673 OD2 ASP A 876 -4.764 1.959 -12.681 1.00 0.00 O ATOM 0 H ASP A 876 -2.383 -0.443 -8.591 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.026 -0.101 -11.132 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.783 2.155 -10.238 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.484 2.550 -11.346 1.00 0.00 H new ATOM 678 N GLY A 877 -0.628 0.958 -8.584 1.00 0.00 N ATOM 679 CA GLY A 877 0.594 1.454 -7.984 1.00 0.00 C ATOM 680 C GLY A 877 1.762 0.542 -8.334 1.00 0.00 C ATOM 681 O GLY A 877 1.854 0.050 -9.457 1.00 0.00 O ATOM 0 H GLY A 877 -1.210 0.402 -7.957 1.00 0.00 H new ATOM 0 HA2 GLY A 877 0.795 2.466 -8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.479 1.510 -6.902 1.00 0.00 H new ATOM 685 N ASP A 878 2.655 0.317 -7.368 1.00 0.00 N ATOM 686 CA ASP A 878 3.811 -0.532 -7.579 1.00 0.00 C ATOM 687 C ASP A 878 4.325 -1.042 -6.240 1.00 0.00 C ATOM 688 O ASP A 878 4.323 -0.310 -5.253 1.00 0.00 O ATOM 689 CB ASP A 878 4.894 0.257 -8.310 1.00 0.00 C ATOM 690 CG ASP A 878 4.345 0.881 -9.585 1.00 0.00 C ATOM 691 OD1 ASP A 878 3.831 0.106 -10.420 1.00 0.00 O ATOM 692 OD2 ASP A 878 4.449 2.121 -9.700 1.00 0.00 O ATOM 0 H ASP A 878 2.592 0.716 -6.431 1.00 0.00 H new ATOM 0 HA ASP A 878 3.532 -1.390 -8.190 1.00 0.00 H new ATOM 0 HB2 ASP A 878 5.284 1.038 -7.657 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.728 -0.402 -8.553 1.00 0.00 H new ATOM 697 N LEU A 879 4.767 -2.301 -6.208 1.00 0.00 N ATOM 698 CA LEU A 879 5.281 -2.901 -4.994 1.00 0.00 C ATOM 699 C LEU A 879 6.727 -3.329 -5.200 1.00 0.00 C ATOM 700 O LEU A 879 7.020 -4.127 -6.088 1.00 0.00 O ATOM 701 CB LEU A 879 4.414 -4.097 -4.611 1.00 0.00 C ATOM 702 CG LEU A 879 2.997 -3.620 -4.306 1.00 0.00 C ATOM 703 CD1 LEU A 879 2.701 -3.819 -2.822 1.00 0.00 C ATOM 704 CD2 LEU A 879 2.871 -2.140 -4.656 1.00 0.00 C ATOM 0 H LEU A 879 4.775 -2.920 -7.018 1.00 0.00 H new ATOM 0 HA LEU A 879 5.251 -2.172 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 879 4.398 -4.823 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 879 4.835 -4.601 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 879 2.285 -4.195 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 879 1.689 -3.478 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 879 2.790 -4.876 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 879 3.413 -3.245 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 879 1.859 -1.799 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 879 3.583 -1.564 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 879 3.081 -1.998 -5.716 1.00 0.00 H new ATOM 716 N VAL A 880 7.632 -2.795 -4.377 1.00 0.00 N ATOM 717 CA VAL A 880 9.040 -3.122 -4.472 1.00 0.00 C ATOM 718 C VAL A 880 9.459 -3.951 -3.267 1.00 0.00 C ATOM 719 O VAL A 880 9.093 -3.636 -2.137 1.00 0.00 O ATOM 720 CB VAL A 880 9.857 -1.835 -4.554 1.00 0.00 C ATOM 721 CG1 VAL A 880 10.828 -1.922 -5.728 1.00 0.00 C ATOM 722 CG2 VAL A 880 8.917 -0.650 -4.757 1.00 0.00 C ATOM 0 H VAL A 880 7.404 -2.132 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 880 9.221 -3.709 -5.373 1.00 0.00 H new ATOM 0 HB VAL A 880 10.418 -1.700 -3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.411 -1.003 -5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.499 -2.769 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.268 -2.056 -6.654 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.499 0.270 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.356 -0.785 -5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.224 -0.588 -3.918 1.00 0.00 H new ATOM 732 N GLN A 881 10.230 -5.014 -3.509 1.00 0.00 N ATOM 733 CA GLN A 881 10.692 -5.881 -2.444 1.00 0.00 C ATOM 734 C GLN A 881 11.621 -5.110 -1.517 1.00 0.00 C ATOM 735 O GLN A 881 12.534 -4.428 -1.976 1.00 0.00 O ATOM 736 CB GLN A 881 11.409 -7.086 -3.047 1.00 0.00 C ATOM 737 CG GLN A 881 10.570 -7.662 -4.184 1.00 0.00 C ATOM 738 CD GLN A 881 11.435 -7.961 -5.399 1.00 0.00 C ATOM 739 OE1 GLN A 881 11.617 -7.104 -6.261 1.00 0.00 O ATOM 740 NE2 GLN A 881 11.969 -9.183 -5.467 1.00 0.00 N ATOM 0 H GLN A 881 10.544 -5.288 -4.440 1.00 0.00 H new ATOM 0 HA GLN A 881 9.841 -6.234 -1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.390 -6.790 -3.419 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.574 -7.845 -2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 881 10.076 -8.575 -3.851 1.00 0.00 H new ATOM 0 HG3 GLN A 881 9.785 -6.956 -4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 881 11.789 -9.860 -4.726 1.00 0.00 H new ATOM 0 HE22 GLN A 881 12.557 -9.439 -6.260 1.00 0.00 H new ATOM 749 N GLU A 882 11.386 -5.219 -0.207 1.00 0.00 N ATOM 750 CA GLU A 882 12.203 -4.533 0.774 1.00 0.00 C ATOM 751 C GLU A 882 13.593 -4.282 0.208 1.00 0.00 C ATOM 752 O GLU A 882 13.962 -3.140 -0.056 1.00 0.00 O ATOM 753 CB GLU A 882 12.280 -5.373 2.046 1.00 0.00 C ATOM 754 CG GLU A 882 13.132 -4.647 3.084 1.00 0.00 C ATOM 755 CD GLU A 882 13.894 -5.639 3.950 1.00 0.00 C ATOM 756 OE1 GLU A 882 14.206 -6.729 3.425 1.00 0.00 O ATOM 757 OE2 GLU A 882 14.151 -5.288 5.122 1.00 0.00 O ATOM 0 H GLU A 882 10.632 -5.779 0.191 1.00 0.00 H new ATOM 0 HA GLU A 882 11.754 -3.570 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.279 -5.549 2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.711 -6.349 1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 882 13.834 -3.981 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.495 -4.024 3.712 1.00 0.00 H new ATOM 764 N PHE A 883 14.366 -5.355 0.021 1.00 0.00 N ATOM 765 CA PHE A 883 15.708 -5.244 -0.513 1.00 0.00 C ATOM 766 C PHE A 883 15.652 -4.767 -1.958 1.00 0.00 C ATOM 767 O PHE A 883 16.653 -4.815 -2.669 1.00 0.00 O ATOM 768 CB PHE A 883 16.406 -6.598 -0.417 1.00 0.00 C ATOM 769 CG PHE A 883 15.838 -7.637 -1.355 1.00 0.00 C ATOM 770 CD1 PHE A 883 14.763 -8.436 -0.946 1.00 0.00 C ATOM 771 CD2 PHE A 883 16.384 -7.798 -2.634 1.00 0.00 C ATOM 772 CE1 PHE A 883 14.235 -9.397 -1.817 1.00 0.00 C ATOM 773 CE2 PHE A 883 15.856 -8.759 -3.504 1.00 0.00 C ATOM 774 CZ PHE A 883 14.782 -9.559 -3.095 1.00 0.00 C ATOM 0 H PHE A 883 14.076 -6.309 0.235 1.00 0.00 H new ATOM 0 HA PHE A 883 16.275 -4.515 0.067 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.467 -6.467 -0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.331 -6.965 0.607 1.00 0.00 H new ATOM 0 HD1 PHE A 883 14.341 -8.311 0.040 1.00 0.00 H new ATOM 0 HD2 PHE A 883 17.212 -7.181 -2.949 1.00 0.00 H new ATOM 0 HE1 PHE A 883 13.406 -10.013 -1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 883 16.277 -8.883 -4.491 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.376 -10.301 -3.766 1.00 0.00 H new ATOM 784 N ASP A 884 14.476 -4.305 -2.390 1.00 0.00 N ATOM 785 CA ASP A 884 14.296 -3.824 -3.745 1.00 0.00 C ATOM 786 C ASP A 884 13.400 -2.593 -3.739 1.00 0.00 C ATOM 787 O ASP A 884 12.181 -2.711 -3.829 1.00 0.00 O ATOM 788 CB ASP A 884 13.689 -4.931 -4.601 1.00 0.00 C ATOM 789 CG ASP A 884 14.643 -6.111 -4.722 1.00 0.00 C ATOM 790 OD1 ASP A 884 15.853 -5.887 -4.500 1.00 0.00 O ATOM 791 OD2 ASP A 884 14.145 -7.214 -5.033 1.00 0.00 O ATOM 0 H ASP A 884 13.637 -4.257 -1.812 1.00 0.00 H new ATOM 0 HA ASP A 884 15.261 -3.545 -4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 884 12.749 -5.262 -4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.457 -4.543 -5.593 1.00 0.00 H new ATOM 796 N MET A 885 14.008 -1.409 -3.633 1.00 0.00 N ATOM 797 CA MET A 885 13.261 -0.168 -3.614 1.00 0.00 C ATOM 798 C MET A 885 14.047 0.920 -4.333 1.00 0.00 C ATOM 799 O MET A 885 13.464 1.772 -5.001 1.00 0.00 O ATOM 800 CB MET A 885 12.981 0.234 -2.169 1.00 0.00 C ATOM 801 CG MET A 885 14.015 -0.412 -1.252 1.00 0.00 C ATOM 802 SD MET A 885 13.549 -0.410 0.497 1.00 0.00 S ATOM 803 CE MET A 885 12.213 -1.630 0.443 1.00 0.00 C ATOM 0 H MET A 885 15.019 -1.293 -3.559 1.00 0.00 H new ATOM 0 HA MET A 885 12.311 -0.304 -4.131 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.017 1.319 -2.069 1.00 0.00 H new ATOM 0 HB3 MET A 885 11.978 -0.079 -1.881 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.178 -1.441 -1.573 1.00 0.00 H new ATOM 0 HG3 MET A 885 14.964 0.112 -1.365 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.237 -2.236 1.349 1.00 0.00 H new ATOM 0 HE2 MET A 885 11.254 -1.117 0.375 1.00 0.00 H new ATOM 0 HE3 MET A 885 12.343 -2.273 -0.427 1.00 0.00 H new ATOM 813 N THR A 886 15.374 0.891 -4.195 1.00 0.00 N ATOM 814 CA THR A 886 16.228 1.873 -4.832 1.00 0.00 C ATOM 815 C THR A 886 15.439 2.643 -5.881 1.00 0.00 C ATOM 816 O THR A 886 15.402 3.871 -5.856 1.00 0.00 O ATOM 817 CB THR A 886 17.426 1.170 -5.464 1.00 0.00 C ATOM 818 OG1 THR A 886 17.034 0.578 -6.682 1.00 0.00 O ATOM 819 CG2 THR A 886 17.941 0.090 -4.516 1.00 0.00 C ATOM 0 H THR A 886 15.874 0.193 -3.644 1.00 0.00 H new ATOM 0 HA THR A 886 16.590 2.582 -4.088 1.00 0.00 H new ATOM 0 HB THR A 886 18.217 1.897 -5.651 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.803 0.128 -7.089 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.797 -0.412 -4.967 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.244 0.547 -3.574 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.151 -0.637 -4.329 1.00 0.00 H new ATOM 827 N SER A 887 14.807 1.916 -6.806 1.00 0.00 N ATOM 828 CA SER A 887 14.023 2.533 -7.857 1.00 0.00 C ATOM 829 C SER A 887 12.574 2.667 -7.409 1.00 0.00 C ATOM 830 O SER A 887 11.788 3.367 -8.044 1.00 0.00 O ATOM 831 CB SER A 887 14.121 1.690 -9.125 1.00 0.00 C ATOM 832 OG SER A 887 15.043 2.283 -10.012 1.00 0.00 O ATOM 0 H SER A 887 14.829 0.897 -6.841 1.00 0.00 H new ATOM 0 HA SER A 887 14.411 3.530 -8.068 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.438 0.677 -8.878 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.143 1.611 -9.599 1.00 0.00 H new ATOM 0 HG SER A 887 15.108 1.742 -10.826 1.00 0.00 H new ATOM 838 N ALA A 888 12.223 1.993 -6.311 1.00 0.00 N ATOM 839 CA ALA A 888 10.873 2.040 -5.785 1.00 0.00 C ATOM 840 C ALA A 888 10.461 3.486 -5.551 1.00 0.00 C ATOM 841 O ALA A 888 10.928 4.387 -6.245 1.00 0.00 O ATOM 842 CB ALA A 888 10.807 1.242 -4.486 1.00 0.00 C ATOM 0 H ALA A 888 12.863 1.409 -5.773 1.00 0.00 H new ATOM 0 HA ALA A 888 10.182 1.598 -6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 888 9.792 1.276 -4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.086 0.206 -4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.496 1.673 -3.759 1.00 0.00 H new ATOM 848 N THR A 889 9.582 3.708 -4.572 1.00 0.00 N ATOM 849 CA THR A 889 9.115 5.043 -4.256 1.00 0.00 C ATOM 850 C THR A 889 8.390 5.036 -2.918 1.00 0.00 C ATOM 851 O THR A 889 8.532 5.966 -2.127 1.00 0.00 O ATOM 852 CB THR A 889 8.192 5.534 -5.367 1.00 0.00 C ATOM 853 OG1 THR A 889 8.366 6.923 -5.543 1.00 0.00 O ATOM 854 CG2 THR A 889 6.742 5.247 -4.989 1.00 0.00 C ATOM 0 H THR A 889 9.183 2.973 -3.988 1.00 0.00 H new ATOM 0 HA THR A 889 9.966 5.720 -4.181 1.00 0.00 H new ATOM 0 HB THR A 889 8.434 5.017 -6.295 1.00 0.00 H new ATOM 0 HG1 THR A 889 7.775 7.239 -6.258 1.00 0.00 H new ATOM 0 HG21 THR A 889 6.083 5.598 -5.783 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.607 4.174 -4.853 1.00 0.00 H new ATOM 0 HG23 THR A 889 6.499 5.764 -4.061 1.00 0.00 H new ATOM 862 N HIS A 890 7.611 3.982 -2.664 1.00 0.00 N ATOM 863 CA HIS A 890 6.869 3.864 -1.424 1.00 0.00 C ATOM 864 C HIS A 890 7.358 2.655 -0.639 1.00 0.00 C ATOM 865 O HIS A 890 7.791 1.665 -1.225 1.00 0.00 O ATOM 866 CB HIS A 890 5.380 3.740 -1.734 1.00 0.00 C ATOM 867 CG HIS A 890 4.726 5.072 -1.979 1.00 0.00 C ATOM 868 ND1 HIS A 890 4.584 5.695 -3.198 1.00 0.00 N ATOM 869 CD2 HIS A 890 4.165 5.882 -1.029 1.00 0.00 C ATOM 870 CE1 HIS A 890 3.948 6.860 -2.980 1.00 0.00 C ATOM 871 NE2 HIS A 890 3.672 7.020 -1.675 1.00 0.00 N ATOM 0 H HIS A 890 7.483 3.201 -3.307 1.00 0.00 H new ATOM 0 HA HIS A 890 7.029 4.754 -0.816 1.00 0.00 H new ATOM 0 HB2 HIS A 890 5.247 3.108 -2.612 1.00 0.00 H new ATOM 0 HB3 HIS A 890 4.880 3.242 -0.903 1.00 0.00 H new ATOM 0 HD2 HIS A 890 4.112 5.679 0.030 1.00 0.00 H new ATOM 0 HE1 HIS A 890 3.693 7.572 -3.751 1.00 0.00 H new ATOM 0 HE2 HIS A 890 3.198 7.813 -1.242 1.00 0.00 H new ATOM 879 N VAL A 891 7.289 2.738 0.692 1.00 0.00 N ATOM 880 CA VAL A 891 7.724 1.654 1.549 1.00 0.00 C ATOM 881 C VAL A 891 6.856 1.606 2.799 1.00 0.00 C ATOM 882 O VAL A 891 6.756 2.592 3.525 1.00 0.00 O ATOM 883 CB VAL A 891 9.191 1.855 1.917 1.00 0.00 C ATOM 884 CG1 VAL A 891 10.055 1.694 0.670 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.384 3.255 2.493 1.00 0.00 C ATOM 0 H VAL A 891 6.933 3.552 1.193 1.00 0.00 H new ATOM 0 HA VAL A 891 7.622 0.705 1.023 1.00 0.00 H new ATOM 0 HB VAL A 891 9.484 1.113 2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.103 1.838 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 891 9.918 0.694 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 891 9.762 2.435 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.432 3.399 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.091 3.997 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.767 3.370 3.384 1.00 0.00 H new ATOM 895 N LEU A 892 6.227 0.455 3.047 1.00 0.00 N ATOM 896 CA LEU A 892 5.372 0.285 4.205 1.00 0.00 C ATOM 897 C LEU A 892 6.223 0.141 5.459 1.00 0.00 C ATOM 898 O LEU A 892 7.073 -0.743 5.537 1.00 0.00 O ATOM 899 CB LEU A 892 4.489 -0.944 4.009 1.00 0.00 C ATOM 900 CG LEU A 892 3.056 -0.610 4.414 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.127 -0.821 3.222 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.627 -1.520 5.561 1.00 0.00 C ATOM 0 H LEU A 892 6.300 -0.371 2.454 1.00 0.00 H new ATOM 0 HA LEU A 892 4.734 1.161 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.519 -1.264 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.864 -1.774 4.608 1.00 0.00 H new ATOM 0 HG LEU A 892 3.003 0.430 4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 892 1.104 -0.582 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.433 -0.171 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 892 2.180 -1.861 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.604 -1.282 5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.681 -2.560 5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.290 -1.369 6.413 1.00 0.00 H new ATOM 914 N GLY A 893 5.994 1.014 6.443 1.00 0.00 N ATOM 915 CA GLY A 893 6.742 0.976 7.683 1.00 0.00 C ATOM 916 C GLY A 893 8.233 0.865 7.398 1.00 0.00 C ATOM 917 O GLY A 893 8.691 -0.140 6.857 1.00 0.00 O ATOM 0 H GLY A 893 5.293 1.754 6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.542 1.876 8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 893 6.416 0.129 8.286 1.00 0.00 H new ATOM 921 N SER A 894 8.991 1.902 7.762 1.00 0.00 N ATOM 922 CA SER A 894 10.423 1.915 7.544 1.00 0.00 C ATOM 923 C SER A 894 10.726 2.391 6.130 1.00 0.00 C ATOM 924 O SER A 894 9.831 2.462 5.291 1.00 0.00 O ATOM 925 CB SER A 894 10.984 0.514 7.775 1.00 0.00 C ATOM 926 OG SER A 894 10.644 0.080 9.073 1.00 0.00 O ATOM 0 H SER A 894 8.627 2.743 8.210 1.00 0.00 H new ATOM 0 HA SER A 894 10.895 2.602 8.246 1.00 0.00 H new ATOM 0 HB2 SER A 894 10.584 -0.177 7.033 1.00 0.00 H new ATOM 0 HB3 SER A 894 12.067 0.520 7.654 1.00 0.00 H new ATOM 0 HG SER A 894 11.002 -0.820 9.221 1.00 0.00 H new ATOM 932 N ARG A 895 11.994 2.717 5.868 1.00 0.00 N ATOM 933 CA ARG A 895 12.409 3.184 4.561 1.00 0.00 C ATOM 934 C ARG A 895 13.809 2.674 4.252 1.00 0.00 C ATOM 935 O ARG A 895 14.130 2.395 3.099 1.00 0.00 O ATOM 936 CB ARG A 895 12.371 4.710 4.531 1.00 0.00 C ATOM 937 CG ARG A 895 13.159 5.261 5.716 1.00 0.00 C ATOM 938 CD ARG A 895 13.479 6.734 5.474 1.00 0.00 C ATOM 939 NE ARG A 895 14.904 7.001 5.671 1.00 0.00 N ATOM 940 CZ ARG A 895 15.414 8.240 5.690 1.00 0.00 C ATOM 941 NH1 ARG A 895 14.609 9.298 5.525 1.00 0.00 N ATOM 942 NH2 ARG A 895 16.729 8.420 5.873 1.00 0.00 N ATOM 0 H ARG A 895 12.748 2.663 6.553 1.00 0.00 H new ATOM 0 HA ARG A 895 11.728 2.801 3.801 1.00 0.00 H new ATOM 0 HB2 ARG A 895 12.795 5.077 3.596 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.339 5.060 4.572 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.582 5.149 6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 895 14.081 4.695 5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 895 13.191 7.010 4.460 1.00 0.00 H new ATOM 0 HD3 ARG A 895 12.892 7.353 6.152 1.00 0.00 H new ATOM 0 HE ARG A 895 15.536 6.211 5.799 1.00 0.00 H new ATOM 0 HH11 ARG A 895 13.608 9.160 5.385 1.00 0.00 H new ATOM 0 HH12 ARG A 895 14.997 10.241 5.539 1.00 0.00 H new ATOM 0 HH21 ARG A 895 17.342 7.614 5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 895 17.118 9.363 5.887 1.00 0.00 H new ATOM 956 N ASP A 896 14.645 2.553 5.286 1.00 0.00 N ATOM 957 CA ASP A 896 16.004 2.078 5.120 1.00 0.00 C ATOM 958 C ASP A 896 16.173 1.478 3.731 1.00 0.00 C ATOM 959 O ASP A 896 16.768 2.099 2.853 1.00 0.00 O ATOM 960 CB ASP A 896 16.316 1.044 6.198 1.00 0.00 C ATOM 961 CG ASP A 896 17.548 0.230 5.829 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.350 0.747 5.022 1.00 0.00 O ATOM 963 OD2 ASP A 896 17.664 -0.896 6.361 1.00 0.00 O ATOM 0 H ASP A 896 14.395 2.781 6.248 1.00 0.00 H new ATOM 0 HA ASP A 896 16.700 2.910 5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.479 1.545 7.152 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.462 0.380 6.328 1.00 0.00 H new ATOM 968 N LYS A 897 15.648 0.266 3.534 1.00 0.00 N ATOM 969 CA LYS A 897 15.745 -0.408 2.255 1.00 0.00 C ATOM 970 C LYS A 897 15.710 0.613 1.127 1.00 0.00 C ATOM 971 O LYS A 897 16.343 0.420 0.092 1.00 0.00 O ATOM 972 CB LYS A 897 14.597 -1.404 2.118 1.00 0.00 C ATOM 973 CG LYS A 897 13.657 -1.263 3.312 1.00 0.00 C ATOM 974 CD LYS A 897 12.712 -0.088 3.080 1.00 0.00 C ATOM 975 CE LYS A 897 12.100 0.343 4.410 1.00 0.00 C ATOM 976 NZ LYS A 897 10.715 0.806 4.229 1.00 0.00 N ATOM 0 H LYS A 897 15.152 -0.263 4.252 1.00 0.00 H new ATOM 0 HA LYS A 897 16.689 -0.950 2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.054 -1.224 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 897 14.987 -2.420 2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.086 -2.181 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.232 -1.106 4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.253 0.744 2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 897 11.926 -0.372 2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.119 -0.492 5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.699 1.141 4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.160 0.582 5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.710 1.834 4.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.294 0.329 3.406 1.00 0.00 H new ATOM 990 N ASN A 898 14.966 1.704 1.330 1.00 0.00 N ATOM 991 CA ASN A 898 14.854 2.747 0.330 1.00 0.00 C ATOM 992 C ASN A 898 14.350 4.030 0.975 1.00 0.00 C ATOM 993 O ASN A 898 13.148 4.204 1.162 1.00 0.00 O ATOM 994 CB ASN A 898 13.908 2.290 -0.776 1.00 0.00 C ATOM 995 CG ASN A 898 14.493 2.587 -2.149 1.00 0.00 C ATOM 996 OD1 ASN A 898 15.705 2.512 -2.338 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.628 2.924 -3.109 1.00 0.00 N ATOM 0 H ASN A 898 14.435 1.880 2.183 1.00 0.00 H new ATOM 0 HA ASN A 898 15.833 2.944 -0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.720 1.221 -0.680 1.00 0.00 H new ATOM 0 HB3 ASN A 898 12.947 2.793 -0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 898 13.965 3.133 -4.049 1.00 0.00 H new ATOM 0 HD22 ASN A 898 12.630 2.973 -2.902 1.00 0.00 H new ATOM 1004 N PRO A 899 15.275 4.932 1.314 1.00 0.00 N ATOM 1005 CA PRO A 899 14.982 6.207 1.933 1.00 0.00 C ATOM 1006 C PRO A 899 14.348 7.138 0.909 1.00 0.00 C ATOM 1007 O PRO A 899 13.844 8.202 1.263 1.00 0.00 O ATOM 1008 CB PRO A 899 16.338 6.740 2.391 1.00 0.00 C ATOM 1009 CG PRO A 899 17.301 6.139 1.367 1.00 0.00 C ATOM 1010 CD PRO A 899 16.696 4.761 1.108 1.00 0.00 C ATOM 0 HA PRO A 899 14.282 6.124 2.764 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.368 7.830 2.384 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.576 6.421 3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.350 6.737 0.457 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.316 6.069 1.758 1.00 0.00 H new ATOM 0 HD2 PRO A 899 16.910 4.420 0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 899 17.107 4.015 1.789 1.00 0.00 H new ATOM 1018 N ALA A 900 14.374 6.735 -0.363 1.00 0.00 N ATOM 1019 CA ALA A 900 13.805 7.534 -1.430 1.00 0.00 C ATOM 1020 C ALA A 900 12.341 7.169 -1.623 1.00 0.00 C ATOM 1021 O ALA A 900 11.644 7.790 -2.422 1.00 0.00 O ATOM 1022 CB ALA A 900 14.595 7.302 -2.715 1.00 0.00 C ATOM 0 H ALA A 900 14.787 5.855 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 900 13.864 8.591 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 900 14.168 7.902 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.635 7.590 -2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.547 6.247 -2.986 1.00 0.00 H new ATOM 1028 N ALA A 901 11.875 6.156 -0.888 1.00 0.00 N ATOM 1029 CA ALA A 901 10.498 5.713 -0.983 1.00 0.00 C ATOM 1030 C ALA A 901 9.639 6.486 0.007 1.00 0.00 C ATOM 1031 O ALA A 901 10.005 7.581 0.427 1.00 0.00 O ATOM 1032 CB ALA A 901 10.427 4.214 -0.706 1.00 0.00 C ATOM 0 H ALA A 901 12.440 5.631 -0.221 1.00 0.00 H new ATOM 0 HA ALA A 901 10.119 5.902 -1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.392 3.879 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 901 11.032 3.680 -1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 901 10.806 4.011 0.296 1.00 0.00 H new ATOM 1038 N GLN A 902 8.492 5.912 0.380 1.00 0.00 N ATOM 1039 CA GLN A 902 7.588 6.549 1.316 1.00 0.00 C ATOM 1040 C GLN A 902 7.383 5.652 2.529 1.00 0.00 C ATOM 1041 O GLN A 902 7.142 4.456 2.384 1.00 0.00 O ATOM 1042 CB GLN A 902 6.259 6.834 0.623 1.00 0.00 C ATOM 1043 CG GLN A 902 6.215 8.295 0.184 1.00 0.00 C ATOM 1044 CD GLN A 902 6.638 9.215 1.320 1.00 0.00 C ATOM 1045 OE1 GLN A 902 7.173 10.295 1.080 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.396 8.785 2.561 1.00 0.00 N ATOM 0 H GLN A 902 8.175 5.004 0.041 1.00 0.00 H new ATOM 0 HA GLN A 902 8.016 7.492 1.656 1.00 0.00 H new ATOM 0 HB2 GLN A 902 6.140 6.180 -0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.431 6.622 1.300 1.00 0.00 H new ATOM 0 HG2 GLN A 902 6.873 8.442 -0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.207 8.551 -0.141 1.00 0.00 H new ATOM 0 HE21 GLN A 902 5.949 7.880 2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 902 6.658 9.361 3.361 1.00 0.00 H new ATOM 1055 N GLN A 903 7.478 6.234 3.726 1.00 0.00 N ATOM 1056 CA GLN A 903 7.304 5.486 4.955 1.00 0.00 C ATOM 1057 C GLN A 903 5.836 5.489 5.358 1.00 0.00 C ATOM 1058 O GLN A 903 5.469 6.082 6.370 1.00 0.00 O ATOM 1059 CB GLN A 903 8.167 6.103 6.052 1.00 0.00 C ATOM 1060 CG GLN A 903 9.588 5.557 5.949 1.00 0.00 C ATOM 1061 CD GLN A 903 10.604 6.690 5.919 1.00 0.00 C ATOM 1062 OE1 GLN A 903 11.168 7.048 6.951 1.00 0.00 O ATOM 1063 NE2 GLN A 903 10.835 7.255 4.732 1.00 0.00 N ATOM 0 H GLN A 903 7.676 7.225 3.862 1.00 0.00 H new ATOM 0 HA GLN A 903 7.616 4.453 4.803 1.00 0.00 H new ATOM 0 HB2 GLN A 903 8.175 7.189 5.955 1.00 0.00 H new ATOM 0 HB3 GLN A 903 7.748 5.873 7.032 1.00 0.00 H new ATOM 0 HG2 GLN A 903 9.793 4.902 6.796 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.685 4.952 5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 903 10.341 6.922 3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 903 11.505 8.020 4.653 1.00 0.00 H new ATOM 1072 N VAL A 904 4.995 4.824 4.562 1.00 0.00 N ATOM 1073 CA VAL A 904 3.575 4.753 4.838 1.00 0.00 C ATOM 1074 C VAL A 904 3.297 3.620 5.816 1.00 0.00 C ATOM 1075 O VAL A 904 4.195 2.851 6.149 1.00 0.00 O ATOM 1076 CB VAL A 904 2.813 4.541 3.533 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.759 4.745 2.353 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.254 3.122 3.496 1.00 0.00 C ATOM 0 H VAL A 904 5.284 4.328 3.719 1.00 0.00 H new ATOM 0 HA VAL A 904 3.241 5.687 5.290 1.00 0.00 H new ATOM 0 HB VAL A 904 1.993 5.257 3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.215 4.594 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.160 5.758 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.578 4.029 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.709 2.970 2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 904 3.074 2.406 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.579 2.975 4.339 1.00 0.00 H new ATOM 1088 N SER A 905 2.047 3.519 6.275 1.00 0.00 N ATOM 1089 CA SER A 905 1.659 2.481 7.209 1.00 0.00 C ATOM 1090 C SER A 905 0.460 1.718 6.664 1.00 0.00 C ATOM 1091 O SER A 905 0.041 1.942 5.530 1.00 0.00 O ATOM 1092 CB SER A 905 1.330 3.110 8.559 1.00 0.00 C ATOM 1093 OG SER A 905 2.015 2.418 9.579 1.00 0.00 O ATOM 0 H SER A 905 1.291 4.150 6.009 1.00 0.00 H new ATOM 0 HA SER A 905 2.482 1.779 7.340 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.617 4.162 8.562 1.00 0.00 H new ATOM 0 HB3 SER A 905 0.255 3.072 8.738 1.00 0.00 H new ATOM 0 HG SER A 905 1.582 2.593 10.441 1.00 0.00 H new ATOM 1099 N PRO A 906 -0.093 0.814 7.475 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.237 -0.002 7.130 1.00 0.00 C ATOM 1101 C PRO A 906 -2.493 0.859 7.117 1.00 0.00 C ATOM 1102 O PRO A 906 -3.425 0.589 6.364 1.00 0.00 O ATOM 1103 CB PRO A 906 -1.310 -1.060 8.228 1.00 0.00 C ATOM 1104 CG PRO A 906 -0.725 -0.333 9.438 1.00 0.00 C ATOM 1105 CD PRO A 906 0.374 0.525 8.814 1.00 0.00 C ATOM 0 HA PRO A 906 -1.152 -0.456 6.143 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -2.334 -1.386 8.408 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -0.733 -1.949 7.972 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -1.474 0.275 9.946 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -0.326 -1.030 10.175 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.531 1.441 9.384 1.00 0.00 H new ATOM 0 HD3 PRO A 906 1.326 -0.006 8.794 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.516 1.897 7.957 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.656 2.788 8.036 1.00 0.00 C ATOM 1115 C GLU A 907 -3.693 3.694 6.813 1.00 0.00 C ATOM 1116 O GLU A 907 -4.742 4.234 6.469 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.568 3.612 9.317 1.00 0.00 C ATOM 1118 CG GLU A 907 -4.022 2.763 10.501 1.00 0.00 C ATOM 1119 CD GLU A 907 -2.834 2.093 11.176 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -1.731 2.674 11.091 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -3.052 1.012 11.766 1.00 0.00 O ATOM 0 H GLU A 907 -1.752 2.134 8.590 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.576 2.204 8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.545 3.954 9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -4.192 4.502 9.233 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -4.549 3.389 11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -4.727 2.005 10.161 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.543 3.859 6.155 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.455 4.696 4.975 1.00 0.00 C ATOM 1130 C TRP A 908 -3.244 4.069 3.835 1.00 0.00 C ATOM 1131 O TRP A 908 -3.853 4.776 3.035 1.00 0.00 O ATOM 1132 CB TRP A 908 -0.990 4.873 4.587 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.761 5.657 3.335 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.763 7.005 3.247 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.496 5.170 1.984 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.520 7.383 1.943 1.00 0.00 N ATOM 1137 CE2 TRP A 908 -0.347 6.289 1.121 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.366 3.897 1.400 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 -0.084 6.154 -0.245 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 -0.102 3.751 0.030 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.039 4.874 -0.793 1.00 0.00 C ATOM 0 H TRP A 908 -1.663 3.420 6.427 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.882 5.676 5.187 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.469 5.366 5.408 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.539 3.888 4.469 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.929 7.683 4.071 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.474 8.351 1.626 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.471 3.017 2.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.023 7.028 -0.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 -0.007 2.762 -0.394 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.242 4.752 -1.847 1.00 0.00 H new ATOM 1152 N ILE A 909 -3.232 2.736 3.762 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.944 2.018 2.724 1.00 0.00 C ATOM 1154 C ILE A 909 -5.444 2.131 2.957 1.00 0.00 C ATOM 1155 O ILE A 909 -6.217 2.224 2.006 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.505 0.557 2.723 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -2.243 0.405 1.879 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.617 -0.308 2.137 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -1.215 -0.423 2.644 1.00 0.00 C ATOM 0 H ILE A 909 -2.731 2.137 4.418 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.713 2.452 1.751 1.00 0.00 H new ATOM 0 HB ILE A 909 -3.298 0.239 3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.482 -0.078 0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.831 1.386 1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.304 -1.352 2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.518 -0.200 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.825 0.009 1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.314 -0.531 2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.967 0.078 3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.629 -1.408 2.859 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.857 2.122 4.227 1.00 0.00 N ATOM 1172 CA TRP A 910 -7.260 2.226 4.572 1.00 0.00 C ATOM 1173 C TRP A 910 -7.773 3.621 4.246 1.00 0.00 C ATOM 1174 O TRP A 910 -8.778 3.770 3.554 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.442 1.916 6.055 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.909 0.589 6.492 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -6.118 0.381 7.567 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -7.108 -0.724 5.884 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.817 -0.961 7.667 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.403 -1.690 6.652 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.813 -1.197 4.763 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -6.396 -3.049 6.327 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.813 -2.559 4.428 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -7.108 -3.485 5.205 1.00 0.00 C ATOM 0 H TRP A 910 -5.231 2.043 5.028 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.835 1.506 3.989 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -6.953 2.697 6.637 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.505 1.960 6.292 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -5.774 1.148 8.245 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -5.234 -1.365 8.400 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -8.364 -0.500 4.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.848 -3.754 6.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -8.363 -2.896 3.562 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -7.114 -4.532 4.939 1.00 0.00 H new ATOM 1195 N ALA A 911 -7.079 4.645 4.747 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.466 6.021 4.508 1.00 0.00 C ATOM 1197 C ALA A 911 -7.259 6.367 3.040 1.00 0.00 C ATOM 1198 O ALA A 911 -8.035 7.127 2.464 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.642 6.943 5.403 1.00 0.00 C ATOM 0 H ALA A 911 -6.244 4.538 5.322 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.521 6.153 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.932 7.978 5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.822 6.691 6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.583 6.819 5.177 1.00 0.00 H new ATOM 1205 N CYS A 912 -6.208 5.808 2.437 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.900 6.055 1.042 1.00 0.00 C ATOM 1207 C CYS A 912 -6.969 5.421 0.164 1.00 0.00 C ATOM 1208 O CYS A 912 -7.614 6.109 -0.624 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.522 5.486 0.717 1.00 0.00 C ATOM 1210 SG CYS A 912 -4.307 5.477 -1.080 1.00 0.00 S ATOM 0 H CYS A 912 -5.556 5.178 2.904 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.887 7.128 0.850 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -3.744 6.087 1.188 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.427 4.475 1.114 1.00 0.00 H new ATOM 0 HG CYS A 912 -3.498 4.516 -1.415 1.00 0.00 H new ATOM 1216 N ILE A 913 -7.156 4.106 0.301 1.00 0.00 N ATOM 1217 CA ILE A 913 -8.144 3.387 -0.478 1.00 0.00 C ATOM 1218 C ILE A 913 -9.427 4.202 -0.559 1.00 0.00 C ATOM 1219 O ILE A 913 -9.859 4.576 -1.648 1.00 0.00 O ATOM 1220 CB ILE A 913 -8.406 2.027 0.164 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -7.089 1.269 0.304 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -9.363 1.227 -0.714 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -7.303 0.036 1.178 1.00 0.00 C ATOM 0 H ILE A 913 -6.628 3.523 0.950 1.00 0.00 H new ATOM 0 HA ILE A 913 -7.772 3.230 -1.490 1.00 0.00 H new ATOM 0 HB ILE A 913 -8.850 2.169 1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -6.721 0.972 -0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -6.331 1.915 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -9.551 0.256 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -10.304 1.769 -0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -8.920 1.084 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -6.363 -0.506 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -7.651 0.345 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -8.048 -0.612 0.717 1.00 0.00 H new ATOM 1235 N ARG A 914 -10.037 4.476 0.596 1.00 0.00 N ATOM 1236 CA ARG A 914 -11.265 5.243 0.650 1.00 0.00 C ATOM 1237 C ARG A 914 -11.056 6.599 -0.009 1.00 0.00 C ATOM 1238 O ARG A 914 -11.753 6.942 -0.962 1.00 0.00 O ATOM 1239 CB ARG A 914 -11.696 5.410 2.104 1.00 0.00 C ATOM 1240 CG ARG A 914 -13.220 5.424 2.184 1.00 0.00 C ATOM 1241 CD ARG A 914 -13.738 6.802 1.781 1.00 0.00 C ATOM 1242 NE ARG A 914 -14.031 7.619 2.959 1.00 0.00 N ATOM 1243 CZ ARG A 914 -14.183 8.949 2.900 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -14.068 9.585 1.726 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -14.448 9.643 4.015 1.00 0.00 N ATOM 0 H ARG A 914 -9.692 4.172 1.506 1.00 0.00 H new ATOM 0 HA ARG A 914 -12.051 4.716 0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -11.297 4.596 2.709 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -11.291 6.337 2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -13.636 4.661 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -13.544 5.184 3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -12.997 7.306 1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -14.639 6.693 1.177 1.00 0.00 H new ATOM 0 HE ARG A 914 -14.123 7.157 3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -13.865 9.057 0.878 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -14.184 10.597 1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -14.534 9.159 4.909 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -14.564 10.655 3.970 1.00 0.00 H new ATOM 1259 N LYS A 915 -10.093 7.370 0.499 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.799 8.681 -0.043 1.00 0.00 C ATOM 1261 C LYS A 915 -9.745 8.613 -1.562 1.00 0.00 C ATOM 1262 O LYS A 915 -9.866 9.633 -2.237 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.472 9.179 0.524 1.00 0.00 C ATOM 1264 CG LYS A 915 -8.658 9.564 1.989 1.00 0.00 C ATOM 1265 CD LYS A 915 -9.364 10.915 2.075 1.00 0.00 C ATOM 1266 CE LYS A 915 -9.860 11.140 3.500 1.00 0.00 C ATOM 1267 NZ LYS A 915 -8.752 11.521 4.391 1.00 0.00 N ATOM 0 H LYS A 915 -9.506 7.100 1.288 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.586 9.380 0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.712 8.403 0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -8.120 10.038 -0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.243 8.803 2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -7.690 9.615 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -8.681 11.713 1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -10.202 10.945 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -10.620 11.921 3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -10.334 10.231 3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -9.116 11.668 5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -8.039 10.764 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -8.317 12.401 4.047 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.561 7.405 -2.100 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.490 7.210 -3.534 1.00 0.00 C ATOM 1283 C ARG A 916 -8.298 7.968 -4.100 1.00 0.00 C ATOM 1284 O ARG A 916 -8.088 7.985 -5.311 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.789 7.688 -4.177 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.615 6.482 -4.614 1.00 0.00 C ATOM 1287 CD ARG A 916 -12.536 6.056 -3.475 1.00 0.00 C ATOM 1288 NE ARG A 916 -13.368 7.173 -3.026 1.00 0.00 N ATOM 1289 CZ ARG A 916 -14.299 7.046 -2.070 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -14.498 5.859 -1.482 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -15.030 8.107 -1.703 1.00 0.00 N ATOM 0 H ARG A 916 -9.459 6.549 -1.554 1.00 0.00 H new ATOM 0 HA ARG A 916 -9.359 6.150 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -11.356 8.293 -3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.570 8.323 -5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -12.203 6.731 -5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -10.957 5.658 -4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -13.172 5.234 -3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -11.941 5.684 -2.641 1.00 0.00 H new ATOM 0 HE ARG A 916 -13.234 8.087 -3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -13.941 5.052 -1.762 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -15.206 5.763 -0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -14.878 9.011 -2.151 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -15.739 8.011 -0.976 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.516 8.596 -3.219 1.00 0.00 N ATOM 1306 CA ARG A 917 -6.351 9.352 -3.634 1.00 0.00 C ATOM 1307 C ARG A 917 -5.278 9.278 -2.557 1.00 0.00 C ATOM 1308 O ARG A 917 -5.499 9.709 -1.427 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.753 10.801 -3.896 1.00 0.00 C ATOM 1310 CG ARG A 917 -8.151 11.050 -3.337 1.00 0.00 C ATOM 1311 CD ARG A 917 -9.189 10.774 -4.421 1.00 0.00 C ATOM 1312 NE ARG A 917 -10.139 11.882 -4.532 1.00 0.00 N ATOM 1313 CZ ARG A 917 -10.909 12.283 -3.511 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -10.825 11.664 -2.326 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -11.761 13.304 -3.675 1.00 0.00 N ATOM 0 H ARG A 917 -7.676 8.591 -2.212 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.946 8.928 -4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -6.037 11.478 -3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -6.736 11.007 -4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -8.330 10.407 -2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -8.237 12.080 -2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -8.689 10.622 -5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -9.724 9.853 -4.191 1.00 0.00 H new ATOM 0 HE ARG A 917 -10.218 12.370 -5.424 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -10.175 10.888 -2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -11.411 11.969 -1.549 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -11.824 13.776 -4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -12.347 13.609 -2.898 1.00 0.00 H new ATOM 1329 N LEU A 918 -4.113 8.729 -2.909 1.00 0.00 N ATOM 1330 CA LEU A 918 -3.013 8.602 -1.974 1.00 0.00 C ATOM 1331 C LEU A 918 -3.056 9.743 -0.968 1.00 0.00 C ATOM 1332 O LEU A 918 -3.081 10.910 -1.351 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.693 8.604 -2.739 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.552 7.298 -3.514 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -1.908 6.125 -2.605 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -2.493 7.315 -4.715 1.00 0.00 C ATOM 0 H LEU A 918 -3.915 8.366 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 918 -3.100 7.662 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.659 9.451 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.859 8.720 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.524 7.190 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -1.807 5.192 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -1.236 6.112 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -2.936 6.232 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -2.393 6.382 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -3.521 7.423 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -2.238 8.152 -5.365 1.00 0.00 H new ATOM 1348 N VAL A 919 -3.063 9.402 0.323 1.00 0.00 N ATOM 1349 CA VAL A 919 -3.102 10.397 1.376 1.00 0.00 C ATOM 1350 C VAL A 919 -1.715 10.562 1.980 1.00 0.00 C ATOM 1351 O VAL A 919 -0.734 10.062 1.433 1.00 0.00 O ATOM 1352 CB VAL A 919 -4.108 9.970 2.441 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -4.979 8.842 1.895 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -3.361 9.482 3.679 1.00 0.00 C ATOM 0 H VAL A 919 -3.042 8.438 0.656 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.414 11.357 0.964 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.738 10.819 2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.698 8.537 2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.512 9.190 1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.350 7.993 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -4.079 9.177 4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.731 8.633 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.739 10.287 4.069 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.634 11.266 3.111 1.00 0.00 N ATOM 1365 CA ALA A 920 -0.370 11.494 3.782 1.00 0.00 C ATOM 1366 C ALA A 920 0.180 10.175 4.306 1.00 0.00 C ATOM 1367 O ALA A 920 -0.418 9.556 5.183 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.572 12.488 4.922 1.00 0.00 C ATOM 0 H ALA A 920 -2.438 11.687 3.577 1.00 0.00 H new ATOM 0 HA ALA A 920 0.350 11.911 3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.378 12.660 5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.946 13.430 4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -1.293 12.085 5.633 1.00 0.00 H new ATOM 1374 N PRO A 921 1.323 9.746 3.766 1.00 0.00 N ATOM 1375 CA PRO A 921 1.993 8.519 4.141 1.00 0.00 C ATOM 1376 C PRO A 921 2.621 8.680 5.518 1.00 0.00 C ATOM 1377 O PRO A 921 3.338 9.646 5.766 1.00 0.00 O ATOM 1378 CB PRO A 921 3.063 8.315 3.071 1.00 0.00 C ATOM 1379 CG PRO A 921 3.406 9.746 2.658 1.00 0.00 C ATOM 1380 CD PRO A 921 2.053 10.449 2.733 1.00 0.00 C ATOM 0 HA PRO A 921 1.316 7.666 4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 921 3.933 7.788 3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 921 2.689 7.730 2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.135 10.198 3.330 1.00 0.00 H new ATOM 0 HG3 PRO A 921 3.829 9.788 1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.170 11.504 2.980 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.530 10.401 1.778 1.00 0.00 H new ATOM 1388 N CYS A 922 2.348 7.728 6.414 1.00 0.00 N ATOM 1389 CA CYS A 922 2.883 7.764 7.760 1.00 0.00 C ATOM 1390 C CYS A 922 3.037 6.344 8.285 1.00 0.00 C ATOM 1391 O CYS A 922 2.793 6.087 9.462 1.00 0.00 O ATOM 1392 CB CYS A 922 1.951 8.575 8.656 1.00 0.00 C ATOM 1393 SG CYS A 922 2.938 9.772 9.588 1.00 0.00 S ATOM 0 H CYS A 922 1.754 6.921 6.221 1.00 0.00 H new ATOM 0 HA CYS A 922 3.864 8.240 7.757 1.00 0.00 H new ATOM 0 HB2 CYS A 922 1.202 9.090 8.054 1.00 0.00 H new ATOM 0 HB3 CYS A 922 1.414 7.916 9.338 1.00 0.00 H new ATOM 0 HG CYS A 922 2.158 10.473 10.356 1.00 0.00 H new TER 1399 CYS A 922