USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, 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 Single : A 836 SER OG : rot 78:sc= 0.801 USER MOD Single : A 840 THR OG1 : rot 180:sc= 0 USER MOD Single : A 842 CYS SG : rot 180:sc= 0 USER MOD Single : A 843 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ 170:sc= 0.406 (180deg=0.0949!) USER MOD Single : A 852 THR OG1 : rot 180:sc= -9.69! USER MOD Single : A 857 TYR OH : rot 180:sc= -0.4 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -100:sc= -1.65! USER MOD Single : A 866 SER OG : rot 180:sc= 0 USER MOD Single : A 881 GLN : amide:sc= -0.454 K(o=-0.45,f=-1.1) USER MOD Single : A 885 MET CE :methyl 141:sc= -16.4! (180deg=-24.7!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 889 THR OG1 : rot -98:sc= -1.29! USER MOD Single : A 890 HIS : no HD1:sc= -20.4! C(o=-20!,f=-29!) USER MOD Single : A 894 SER OG : rot 180:sc= 0 USER MOD Single : A 897 LYS NZ :NH3+ 152:sc= -18.1! (180deg=-18.7!) USER MOD Single : A 898 ASN : amide:sc= -21.7! C(o=-22!,f=-30!) USER MOD Single : A 902 GLN : amide:sc= -1.73 K(o=-1.7,f=-0.71) USER MOD Single : A 903 GLN : amide:sc= -15.2! C(o=-15!,f=-22!) USER MOD Single : A 905 SER OG : rot -150:sc= -3.13! USER MOD Single : A 912 CYS SG : rot -167:sc= -12.6! USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 CYS SG : rot -68:sc= 0.657 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 835 -12.267 -3.514 11.763 1.00 0.00 N ATOM 2 CA GLY A 835 -12.778 -2.163 11.638 1.00 0.00 C ATOM 3 C GLY A 835 -11.965 -1.384 10.614 1.00 0.00 C ATOM 4 O GLY A 835 -11.185 -0.505 10.974 1.00 0.00 O ATOM 0 HA2 GLY A 835 -13.825 -2.189 11.337 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -12.736 -1.660 12.604 1.00 0.00 H new ATOM 8 N SER A 836 -12.149 -1.710 9.332 1.00 0.00 N ATOM 9 CA SER A 836 -11.434 -1.041 8.264 1.00 0.00 C ATOM 10 C SER A 836 -11.427 -1.916 7.019 1.00 0.00 C ATOM 11 O SER A 836 -12.396 -1.934 6.264 1.00 0.00 O ATOM 12 CB SER A 836 -10.009 -0.736 8.719 1.00 0.00 C ATOM 13 OG SER A 836 -9.972 0.538 9.323 1.00 0.00 O ATOM 0 H SER A 836 -12.791 -2.437 9.017 1.00 0.00 H new ATOM 0 HA SER A 836 -11.932 -0.103 8.021 1.00 0.00 H new ATOM 0 HB2 SER A 836 -9.671 -1.495 9.424 1.00 0.00 H new ATOM 0 HB3 SER A 836 -9.329 -0.767 7.867 1.00 0.00 H new ATOM 0 HG SER A 836 -10.324 0.478 10.236 1.00 0.00 H new ATOM 19 N ALA A 837 -10.328 -2.645 6.807 1.00 0.00 N ATOM 20 CA ALA A 837 -10.200 -3.517 5.657 1.00 0.00 C ATOM 21 C ALA A 837 -11.534 -4.194 5.372 1.00 0.00 C ATOM 22 O ALA A 837 -12.159 -3.930 4.347 1.00 0.00 O ATOM 23 CB ALA A 837 -9.114 -4.555 5.925 1.00 0.00 C ATOM 0 H ALA A 837 -9.516 -2.642 7.425 1.00 0.00 H new ATOM 0 HA ALA A 837 -9.917 -2.932 4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -9.017 -5.212 5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -8.165 -4.050 6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -9.383 -5.146 6.801 1.00 0.00 H new ATOM 29 N ASP A 838 -11.968 -5.068 6.282 1.00 0.00 N ATOM 30 CA ASP A 838 -13.222 -5.777 6.123 1.00 0.00 C ATOM 31 C ASP A 838 -14.297 -4.819 5.631 1.00 0.00 C ATOM 32 O ASP A 838 -15.127 -5.187 4.802 1.00 0.00 O ATOM 33 CB ASP A 838 -13.625 -6.402 7.456 1.00 0.00 C ATOM 34 CG ASP A 838 -12.461 -7.166 8.072 1.00 0.00 C ATOM 35 OD1 ASP A 838 -11.427 -6.514 8.330 1.00 0.00 O ATOM 36 OD2 ASP A 838 -12.628 -8.389 8.272 1.00 0.00 O ATOM 0 H ASP A 838 -11.461 -5.297 7.137 1.00 0.00 H new ATOM 0 HA ASP A 838 -13.104 -6.571 5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -13.957 -5.623 8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -14.469 -7.076 7.306 1.00 0.00 H new ATOM 41 N GLU A 839 -14.281 -3.585 6.142 1.00 0.00 N ATOM 42 CA GLU A 839 -15.252 -2.585 5.749 1.00 0.00 C ATOM 43 C GLU A 839 -14.926 -2.061 4.358 1.00 0.00 C ATOM 44 O GLU A 839 -15.818 -1.639 3.625 1.00 0.00 O ATOM 45 CB GLU A 839 -15.251 -1.449 6.768 1.00 0.00 C ATOM 46 CG GLU A 839 -16.536 -1.502 7.591 1.00 0.00 C ATOM 47 CD GLU A 839 -17.430 -0.310 7.279 1.00 0.00 C ATOM 48 OE1 GLU A 839 -16.880 0.810 7.214 1.00 0.00 O ATOM 49 OE2 GLU A 839 -18.646 -0.543 7.111 1.00 0.00 O ATOM 0 H GLU A 839 -13.600 -3.263 6.830 1.00 0.00 H new ATOM 0 HA GLU A 839 -16.246 -3.032 5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -14.384 -1.534 7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -15.172 -0.489 6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -17.071 -2.428 7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -16.292 -1.511 8.653 1.00 0.00 H new ATOM 56 N THR A 840 -13.642 -2.089 3.994 1.00 0.00 N ATOM 57 CA THR A 840 -13.208 -1.620 2.693 1.00 0.00 C ATOM 58 C THR A 840 -13.292 -2.751 1.679 1.00 0.00 C ATOM 59 O THR A 840 -13.868 -2.585 0.606 1.00 0.00 O ATOM 60 CB THR A 840 -11.781 -1.089 2.795 1.00 0.00 C ATOM 61 OG1 THR A 840 -11.611 -0.433 4.031 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.521 -0.106 1.657 1.00 0.00 C ATOM 0 H THR A 840 -12.889 -2.434 4.590 1.00 0.00 H new ATOM 0 HA THR A 840 -13.860 -0.813 2.359 1.00 0.00 H new ATOM 0 HB THR A 840 -11.079 -1.919 2.725 1.00 0.00 H new ATOM 0 HG1 THR A 840 -10.694 -0.093 4.098 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.502 0.273 1.730 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.652 -0.613 0.701 1.00 0.00 H new ATOM 0 HG23 THR A 840 -12.223 0.725 1.726 1.00 0.00 H new ATOM 70 N LEU A 841 -12.715 -3.905 2.021 1.00 0.00 N ATOM 71 CA LEU A 841 -12.726 -5.057 1.142 1.00 0.00 C ATOM 72 C LEU A 841 -14.150 -5.573 0.986 1.00 0.00 C ATOM 73 O LEU A 841 -14.395 -6.500 0.217 1.00 0.00 O ATOM 74 CB LEU A 841 -11.818 -6.142 1.714 1.00 0.00 C ATOM 75 CG LEU A 841 -10.413 -5.984 1.138 1.00 0.00 C ATOM 76 CD1 LEU A 841 -9.977 -7.296 0.493 1.00 0.00 C ATOM 77 CD2 LEU A 841 -10.415 -4.876 0.089 1.00 0.00 C ATOM 0 H LEU A 841 -12.234 -4.058 2.907 1.00 0.00 H new ATOM 0 HA LEU A 841 -12.354 -4.772 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -11.787 -6.070 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -12.214 -7.128 1.471 1.00 0.00 H new ATOM 0 HG LEU A 841 -9.719 -5.725 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -8.974 -7.183 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -9.975 -8.087 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -10.670 -7.556 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -9.412 -4.763 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -11.109 -5.134 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -10.726 -3.939 0.550 1.00 0.00 H new ATOM 89 N CYS A 842 -15.088 -4.968 1.718 1.00 0.00 N ATOM 90 CA CYS A 842 -16.481 -5.363 1.661 1.00 0.00 C ATOM 91 C CYS A 842 -16.966 -5.315 0.219 1.00 0.00 C ATOM 92 O CYS A 842 -18.067 -5.771 -0.082 1.00 0.00 O ATOM 93 CB CYS A 842 -17.310 -4.434 2.543 1.00 0.00 C ATOM 94 SG CYS A 842 -18.489 -5.429 3.488 1.00 0.00 S ATOM 0 H CYS A 842 -14.897 -4.198 2.359 1.00 0.00 H new ATOM 0 HA CYS A 842 -16.592 -6.383 2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -16.661 -3.875 3.218 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -17.838 -3.703 1.930 1.00 0.00 H new ATOM 0 HG CYS A 842 -19.203 -4.651 4.247 1.00 0.00 H new ATOM 100 N GLN A 843 -16.141 -4.762 -0.674 1.00 0.00 N ATOM 101 CA GLN A 843 -16.492 -4.658 -2.076 1.00 0.00 C ATOM 102 C GLN A 843 -15.531 -5.491 -2.912 1.00 0.00 C ATOM 103 O GLN A 843 -14.644 -4.948 -3.567 1.00 0.00 O ATOM 104 CB GLN A 843 -16.449 -3.193 -2.501 1.00 0.00 C ATOM 105 CG GLN A 843 -16.914 -2.312 -1.345 1.00 0.00 C ATOM 106 CD GLN A 843 -18.150 -1.514 -1.734 1.00 0.00 C ATOM 107 OE1 GLN A 843 -18.039 -0.454 -2.347 1.00 0.00 O ATOM 108 NE2 GLN A 843 -19.330 -2.024 -1.375 1.00 0.00 N ATOM 0 H GLN A 843 -15.224 -4.381 -0.441 1.00 0.00 H new ATOM 0 HA GLN A 843 -17.501 -5.039 -2.232 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -15.436 -2.919 -2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -17.088 -3.037 -3.370 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -17.135 -2.932 -0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -16.113 -1.632 -1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -19.370 -2.908 -0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -20.191 -1.530 -1.609 1.00 0.00 H new ATOM 117 N THR A 844 -15.709 -6.814 -2.890 1.00 0.00 N ATOM 118 CA THR A 844 -14.858 -7.709 -3.647 1.00 0.00 C ATOM 119 C THR A 844 -13.417 -7.580 -3.173 1.00 0.00 C ATOM 120 O THR A 844 -12.891 -8.481 -2.524 1.00 0.00 O ATOM 121 CB THR A 844 -14.969 -7.380 -5.133 1.00 0.00 C ATOM 122 OG1 THR A 844 -15.391 -8.527 -5.837 1.00 0.00 O ATOM 123 CG2 THR A 844 -13.609 -6.932 -5.659 1.00 0.00 C ATOM 0 H THR A 844 -16.439 -7.281 -2.352 1.00 0.00 H new ATOM 0 HA THR A 844 -15.179 -8.739 -3.490 1.00 0.00 H new ATOM 0 HB THR A 844 -15.694 -6.579 -5.275 1.00 0.00 H new ATOM 0 HG1 THR A 844 -15.464 -8.317 -6.791 1.00 0.00 H new ATOM 0 HG21 THR A 844 -13.689 -6.697 -6.720 1.00 0.00 H new ATOM 0 HG22 THR A 844 -13.282 -6.046 -5.115 1.00 0.00 H new ATOM 0 HG23 THR A 844 -12.883 -7.732 -5.518 1.00 0.00 H new ATOM 131 N LYS A 845 -12.779 -6.453 -3.500 1.00 0.00 N ATOM 132 CA LYS A 845 -11.406 -6.213 -3.106 1.00 0.00 C ATOM 133 C LYS A 845 -11.131 -4.716 -3.071 1.00 0.00 C ATOM 134 O LYS A 845 -10.023 -4.293 -2.750 1.00 0.00 O ATOM 135 CB LYS A 845 -10.467 -6.911 -4.086 1.00 0.00 C ATOM 136 CG LYS A 845 -9.629 -7.944 -3.339 1.00 0.00 C ATOM 137 CD LYS A 845 -10.482 -9.174 -3.043 1.00 0.00 C ATOM 138 CE LYS A 845 -10.941 -9.137 -1.589 1.00 0.00 C ATOM 139 NZ LYS A 845 -11.896 -10.221 -1.309 1.00 0.00 N ATOM 0 H LYS A 845 -13.201 -5.696 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 845 -11.236 -6.617 -2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -11.042 -7.395 -4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -9.818 -6.180 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -8.762 -8.225 -3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -9.251 -7.518 -2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -11.346 -9.199 -3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -9.908 -10.081 -3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -10.078 -9.228 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -11.405 -8.174 -1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -12.063 -10.281 -0.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -12.794 -10.026 -1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -11.507 -11.123 -1.649 1.00 0.00 H new ATOM 153 N VAL A 846 -12.146 -3.914 -3.402 1.00 0.00 N ATOM 154 CA VAL A 846 -12.011 -2.472 -3.406 1.00 0.00 C ATOM 155 C VAL A 846 -10.642 -2.085 -3.946 1.00 0.00 C ATOM 156 O VAL A 846 -9.621 -2.537 -3.435 1.00 0.00 O ATOM 157 CB VAL A 846 -12.205 -1.939 -1.990 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.681 -1.626 -1.761 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.746 -2.990 -0.984 1.00 0.00 C ATOM 0 H VAL A 846 -13.071 -4.250 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 846 -12.772 -2.033 -4.051 1.00 0.00 H new ATOM 0 HB VAL A 846 -11.617 -1.030 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.819 -1.245 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -14.009 -0.875 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -14.270 -2.534 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.884 -2.610 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -12.334 -3.899 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -10.692 -3.213 -1.147 1.00 0.00 H new ATOM 169 N LEU A 847 -10.623 -1.244 -4.983 1.00 0.00 N ATOM 170 CA LEU A 847 -9.382 -0.800 -5.586 1.00 0.00 C ATOM 171 C LEU A 847 -9.564 0.588 -6.183 1.00 0.00 C ATOM 172 O LEU A 847 -9.620 0.740 -7.401 1.00 0.00 O ATOM 173 CB LEU A 847 -8.953 -1.798 -6.658 1.00 0.00 C ATOM 174 CG LEU A 847 -9.185 -3.219 -6.153 1.00 0.00 C ATOM 175 CD1 LEU A 847 -8.200 -3.527 -5.029 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.613 -3.345 -5.628 1.00 0.00 C ATOM 0 H LEU A 847 -11.462 -0.860 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 847 -8.603 -0.746 -4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.519 -1.629 -7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -7.900 -1.655 -6.903 1.00 0.00 H new ATOM 0 HG LEU A 847 -9.035 -3.924 -6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -8.366 -4.542 -4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -7.180 -3.437 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.349 -2.822 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.780 -4.360 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.764 -2.640 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -11.317 -3.125 -6.431 1.00 0.00 H new ATOM 188 N LEU A 848 -9.656 1.603 -5.320 1.00 0.00 N ATOM 189 CA LEU A 848 -9.831 2.971 -5.765 1.00 0.00 C ATOM 190 C LEU A 848 -8.489 3.554 -6.182 1.00 0.00 C ATOM 191 O LEU A 848 -7.457 2.900 -6.050 1.00 0.00 O ATOM 192 CB LEU A 848 -10.452 3.795 -4.640 1.00 0.00 C ATOM 193 CG LEU A 848 -11.955 3.921 -4.872 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.646 4.262 -3.555 1.00 0.00 C ATOM 195 CD2 LEU A 848 -12.221 5.028 -5.889 1.00 0.00 C ATOM 0 H LEU A 848 -9.611 1.493 -4.307 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.498 2.995 -6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.260 3.320 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -9.995 4.784 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 848 -12.345 2.977 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.720 4.352 -3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.456 3.472 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.257 5.206 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -13.294 5.119 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -11.831 5.972 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -11.727 4.784 -6.830 1.00 0.00 H new ATOM 207 N ASP A 849 -8.504 4.789 -6.688 1.00 0.00 N ATOM 208 CA ASP A 849 -7.291 5.453 -7.123 1.00 0.00 C ATOM 209 C ASP A 849 -6.534 5.983 -5.915 1.00 0.00 C ATOM 210 O ASP A 849 -6.158 7.153 -5.880 1.00 0.00 O ATOM 211 CB ASP A 849 -7.648 6.587 -8.079 1.00 0.00 C ATOM 212 CG ASP A 849 -8.661 6.125 -9.117 1.00 0.00 C ATOM 213 OD1 ASP A 849 -9.341 5.115 -8.836 1.00 0.00 O ATOM 214 OD2 ASP A 849 -8.736 6.791 -10.172 1.00 0.00 O ATOM 0 H ASP A 849 -9.351 5.345 -6.804 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.650 4.744 -7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -8.055 7.427 -7.517 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -6.747 6.944 -8.578 1.00 0.00 H new ATOM 219 N ILE A 850 -6.310 5.120 -4.921 1.00 0.00 N ATOM 220 CA ILE A 850 -5.599 5.503 -3.718 1.00 0.00 C ATOM 221 C ILE A 850 -4.113 5.642 -4.020 1.00 0.00 C ATOM 222 O ILE A 850 -3.688 6.635 -4.607 1.00 0.00 O ATOM 223 CB ILE A 850 -5.835 4.456 -2.633 1.00 0.00 C ATOM 224 CG1 ILE A 850 -6.947 3.508 -3.073 1.00 0.00 C ATOM 225 CG2 ILE A 850 -6.242 5.151 -1.337 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.290 4.229 -2.996 1.00 0.00 C ATOM 0 H ILE A 850 -6.617 4.147 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 850 -5.969 6.465 -3.362 1.00 0.00 H new ATOM 0 HB ILE A 850 -4.919 3.889 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -6.765 3.164 -4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -6.960 2.624 -2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -6.411 4.404 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -5.448 5.828 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.158 5.718 -1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -9.085 3.552 -3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.472 4.551 -1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -8.274 5.099 -3.652 1.00 0.00 H new ATOM 238 N PHE A 851 -3.324 4.644 -3.618 1.00 0.00 N ATOM 239 CA PHE A 851 -1.893 4.662 -3.849 1.00 0.00 C ATOM 240 C PHE A 851 -1.610 4.962 -5.315 1.00 0.00 C ATOM 241 O PHE A 851 -0.864 4.236 -5.966 1.00 0.00 O ATOM 242 CB PHE A 851 -1.297 3.316 -3.448 1.00 0.00 C ATOM 243 CG PHE A 851 -1.990 2.678 -2.267 1.00 0.00 C ATOM 244 CD1 PHE A 851 -1.989 3.321 -1.024 1.00 0.00 C ATOM 245 CD2 PHE A 851 -2.635 1.445 -2.418 1.00 0.00 C ATOM 246 CE1 PHE A 851 -2.634 2.730 0.070 1.00 0.00 C ATOM 247 CE2 PHE A 851 -3.280 0.854 -1.324 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.279 1.497 -0.080 1.00 0.00 C ATOM 0 H PHE A 851 -3.661 3.814 -3.130 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.433 5.443 -3.244 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.348 2.637 -4.299 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.242 3.451 -3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -1.491 4.272 -0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -2.635 0.949 -3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -2.634 3.226 1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -3.778 -0.097 -1.440 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.776 1.041 0.764 1.00 0.00 H new ATOM 258 N THR A 852 -2.210 6.037 -5.833 1.00 0.00 N ATOM 259 CA THR A 852 -2.016 6.423 -7.216 1.00 0.00 C ATOM 260 C THR A 852 -0.529 6.476 -7.536 1.00 0.00 C ATOM 261 O THR A 852 0.198 7.303 -6.989 1.00 0.00 O ATOM 262 CB THR A 852 -2.670 7.780 -7.460 1.00 0.00 C ATOM 263 OG1 THR A 852 -2.751 8.488 -6.243 1.00 0.00 O ATOM 264 CG2 THR A 852 -4.073 7.575 -8.023 1.00 0.00 C ATOM 0 H THR A 852 -2.833 6.650 -5.308 1.00 0.00 H new ATOM 0 HA THR A 852 -2.481 5.686 -7.871 1.00 0.00 H new ATOM 0 HB THR A 852 -2.072 8.348 -8.173 1.00 0.00 H new ATOM 0 HG1 THR A 852 -3.170 9.360 -6.399 1.00 0.00 H new ATOM 0 HG21 THR A 852 -4.540 8.544 -8.197 1.00 0.00 H new ATOM 0 HG22 THR A 852 -4.011 7.028 -8.964 1.00 0.00 H new ATOM 0 HG23 THR A 852 -4.671 7.007 -7.311 1.00 0.00 H new ATOM 272 N GLY A 853 -0.077 5.591 -8.427 1.00 0.00 N ATOM 273 CA GLY A 853 1.319 5.545 -8.813 1.00 0.00 C ATOM 274 C GLY A 853 2.207 5.516 -7.577 1.00 0.00 C ATOM 275 O GLY A 853 3.388 5.850 -7.649 1.00 0.00 O ATOM 0 H GLY A 853 -0.665 4.899 -8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.506 4.662 -9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 853 1.563 6.414 -9.425 1.00 0.00 H new ATOM 279 N VAL A 854 1.635 5.115 -6.439 1.00 0.00 N ATOM 280 CA VAL A 854 2.374 5.045 -5.194 1.00 0.00 C ATOM 281 C VAL A 854 3.355 3.883 -5.243 1.00 0.00 C ATOM 282 O VAL A 854 3.137 2.913 -5.967 1.00 0.00 O ATOM 283 CB VAL A 854 1.398 4.881 -4.033 1.00 0.00 C ATOM 284 CG1 VAL A 854 2.085 4.135 -2.892 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.952 6.256 -3.546 1.00 0.00 C ATOM 0 H VAL A 854 0.657 4.834 -6.363 1.00 0.00 H new ATOM 0 HA VAL A 854 2.939 5.966 -5.048 1.00 0.00 H new ATOM 0 HB VAL A 854 0.529 4.314 -4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 854 1.388 4.018 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 854 2.404 3.152 -3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.954 4.702 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 854 0.255 6.140 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.821 6.823 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.461 6.789 -4.360 1.00 0.00 H new ATOM 295 N ARG A 855 4.439 3.981 -4.470 1.00 0.00 N ATOM 296 CA ARG A 855 5.447 2.941 -4.429 1.00 0.00 C ATOM 297 C ARG A 855 5.582 2.410 -3.010 1.00 0.00 C ATOM 298 O ARG A 855 6.679 2.386 -2.456 1.00 0.00 O ATOM 299 CB ARG A 855 6.776 3.503 -4.925 1.00 0.00 C ATOM 300 CG ARG A 855 6.689 3.767 -6.426 1.00 0.00 C ATOM 301 CD ARG A 855 8.079 4.085 -6.968 1.00 0.00 C ATOM 302 NE ARG A 855 8.461 5.463 -6.661 1.00 0.00 N ATOM 303 CZ ARG A 855 7.826 6.525 -7.176 1.00 0.00 C ATOM 304 NH1 ARG A 855 6.793 6.347 -8.011 1.00 0.00 N ATOM 305 NH2 ARG A 855 8.223 7.764 -6.857 1.00 0.00 N ATOM 0 H ARG A 855 4.634 4.778 -3.864 1.00 0.00 H new ATOM 0 HA ARG A 855 5.151 2.116 -5.077 1.00 0.00 H new ATOM 0 HB2 ARG A 855 7.013 4.426 -4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 855 7.582 2.799 -4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.279 2.895 -6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 855 6.012 4.599 -6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 855 8.807 3.398 -6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 855 8.096 3.931 -8.047 1.00 0.00 H new ATOM 0 HE ARG A 855 9.244 5.623 -6.028 1.00 0.00 H new ATOM 0 HH11 ARG A 855 6.490 5.404 -8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 855 6.309 7.155 -8.403 1.00 0.00 H new ATOM 0 HH21 ARG A 855 9.009 7.900 -6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 855 7.739 8.572 -7.250 1.00 0.00 H new ATOM 319 N LEU A 856 4.463 1.982 -2.421 1.00 0.00 N ATOM 320 CA LEU A 856 4.462 1.454 -1.071 1.00 0.00 C ATOM 321 C LEU A 856 4.990 0.026 -1.075 1.00 0.00 C ATOM 322 O LEU A 856 4.379 -0.862 -1.665 1.00 0.00 O ATOM 323 CB LEU A 856 3.045 1.504 -0.507 1.00 0.00 C ATOM 324 CG LEU A 856 2.979 0.680 0.776 1.00 0.00 C ATOM 325 CD1 LEU A 856 2.357 -0.681 0.475 1.00 0.00 C ATOM 326 CD2 LEU A 856 4.389 0.485 1.328 1.00 0.00 C ATOM 0 H LEU A 856 3.546 1.994 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 856 5.112 2.059 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 856 2.759 2.536 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 856 2.337 1.115 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 856 2.369 1.203 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 856 2.310 -1.270 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 856 1.350 -0.542 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 856 2.966 -1.205 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 856 4.343 -0.103 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 856 4.999 -0.038 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 856 4.833 1.457 1.543 1.00 0.00 H new ATOM 338 N TYR A 857 6.129 -0.192 -0.414 1.00 0.00 N ATOM 339 CA TYR A 857 6.732 -1.508 -0.347 1.00 0.00 C ATOM 340 C TYR A 857 5.961 -2.380 0.634 1.00 0.00 C ATOM 341 O TYR A 857 6.143 -2.267 1.844 1.00 0.00 O ATOM 342 CB TYR A 857 8.192 -1.377 0.078 1.00 0.00 C ATOM 343 CG TYR A 857 8.635 -2.444 1.049 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.271 -3.779 0.836 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.411 -2.099 2.162 1.00 0.00 C ATOM 346 CE1 TYR A 857 8.683 -4.769 1.736 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.823 -3.089 3.063 1.00 0.00 C ATOM 348 CZ TYR A 857 9.458 -4.424 2.850 1.00 0.00 C ATOM 349 OH TYR A 857 9.860 -5.389 3.726 1.00 0.00 O ATOM 0 H TYR A 857 6.647 0.534 0.081 1.00 0.00 H new ATOM 0 HA TYR A 857 6.694 -1.980 -1.329 1.00 0.00 H new ATOM 0 HB2 TYR A 857 8.825 -1.418 -0.808 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.343 -0.398 0.533 1.00 0.00 H new ATOM 0 HD1 TYR A 857 7.672 -4.045 -0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.692 -1.069 2.326 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.403 -5.799 1.571 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.422 -2.823 3.921 1.00 0.00 H new ATOM 0 HH TYR A 857 10.391 -4.981 4.442 1.00 0.00 H new ATOM 359 N LEU A 858 5.097 -3.252 0.109 1.00 0.00 N ATOM 360 CA LEU A 858 4.304 -4.137 0.938 1.00 0.00 C ATOM 361 C LEU A 858 5.144 -5.331 1.370 1.00 0.00 C ATOM 362 O LEU A 858 5.492 -6.177 0.550 1.00 0.00 O ATOM 363 CB LEU A 858 3.074 -4.596 0.160 1.00 0.00 C ATOM 364 CG LEU A 858 2.149 -5.378 1.088 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.527 -5.099 2.539 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.704 -4.949 0.847 1.00 0.00 C ATOM 0 H LEU A 858 4.935 -3.358 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 858 3.976 -3.606 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.549 -3.735 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.375 -5.220 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 858 2.250 -6.444 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 858 1.866 -5.658 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.558 -5.407 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.427 -4.033 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.043 -5.508 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.603 -3.883 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.433 -5.150 -0.189 1.00 0.00 H new ATOM 378 N PRO A 859 5.470 -5.396 2.663 1.00 0.00 N ATOM 379 CA PRO A 859 6.259 -6.456 3.253 1.00 0.00 C ATOM 380 C PRO A 859 5.430 -7.731 3.324 1.00 0.00 C ATOM 381 O PRO A 859 4.212 -7.674 3.476 1.00 0.00 O ATOM 382 CB PRO A 859 6.609 -5.952 4.651 1.00 0.00 C ATOM 383 CG PRO A 859 5.417 -5.061 4.997 1.00 0.00 C ATOM 384 CD PRO A 859 5.078 -4.418 3.654 1.00 0.00 C ATOM 0 HA PRO A 859 7.154 -6.690 2.676 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.721 -6.772 5.360 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.546 -5.395 4.658 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.581 -5.638 5.392 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.674 -4.316 5.750 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.015 -4.188 3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.617 -3.480 3.518 1.00 0.00 H new ATOM 392 N PRO A 860 6.094 -8.884 3.212 1.00 0.00 N ATOM 393 CA PRO A 860 5.473 -10.190 3.257 1.00 0.00 C ATOM 394 C PRO A 860 5.035 -10.499 4.681 1.00 0.00 C ATOM 395 O PRO A 860 4.188 -11.363 4.899 1.00 0.00 O ATOM 396 CB PRO A 860 6.563 -11.157 2.797 1.00 0.00 C ATOM 397 CG PRO A 860 7.845 -10.464 3.255 1.00 0.00 C ATOM 398 CD PRO A 860 7.526 -8.987 3.033 1.00 0.00 C ATOM 0 HA PRO A 860 4.585 -10.259 2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 860 6.450 -12.141 3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 860 6.545 -11.302 1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 860 8.069 -10.677 4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.709 -10.784 2.672 1.00 0.00 H new ATOM 0 HD2 PRO A 860 8.059 -8.356 3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.824 -8.664 2.035 1.00 0.00 H new ATOM 406 N SER A 861 5.616 -9.791 5.653 1.00 0.00 N ATOM 407 CA SER A 861 5.283 -9.994 7.048 1.00 0.00 C ATOM 408 C SER A 861 4.026 -9.209 7.399 1.00 0.00 C ATOM 409 O SER A 861 3.400 -9.461 8.426 1.00 0.00 O ATOM 410 CB SER A 861 6.456 -9.554 7.919 1.00 0.00 C ATOM 411 OG SER A 861 6.945 -10.661 8.642 1.00 0.00 O ATOM 0 H SER A 861 6.321 -9.072 5.489 1.00 0.00 H new ATOM 0 HA SER A 861 5.089 -11.051 7.229 1.00 0.00 H new ATOM 0 HB2 SER A 861 7.247 -9.134 7.298 1.00 0.00 H new ATOM 0 HB3 SER A 861 6.139 -8.769 8.605 1.00 0.00 H new ATOM 0 HG SER A 861 7.700 -10.380 9.200 1.00 0.00 H new ATOM 417 N THR A 862 3.657 -8.255 6.541 1.00 0.00 N ATOM 418 CA THR A 862 2.477 -7.444 6.767 1.00 0.00 C ATOM 419 C THR A 862 1.226 -8.302 6.644 1.00 0.00 C ATOM 420 O THR A 862 1.134 -9.148 5.757 1.00 0.00 O ATOM 421 CB THR A 862 2.448 -6.299 5.758 1.00 0.00 C ATOM 422 OG1 THR A 862 2.870 -5.109 6.385 1.00 0.00 O ATOM 423 CG2 THR A 862 1.027 -6.120 5.232 1.00 0.00 C ATOM 0 H THR A 862 4.165 -8.031 5.685 1.00 0.00 H new ATOM 0 HA THR A 862 2.507 -7.026 7.773 1.00 0.00 H new ATOM 0 HB THR A 862 3.116 -6.529 4.928 1.00 0.00 H new ATOM 0 HG1 THR A 862 2.087 -4.570 6.623 1.00 0.00 H new ATOM 0 HG21 THR A 862 1.006 -5.302 4.511 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.700 -7.040 4.747 1.00 0.00 H new ATOM 0 HG23 THR A 862 0.358 -5.890 6.061 1.00 0.00 H new ATOM 431 N PRO A 863 0.261 -8.081 7.540 1.00 0.00 N ATOM 432 CA PRO A 863 -0.996 -8.797 7.578 1.00 0.00 C ATOM 433 C PRO A 863 -1.873 -8.350 6.417 1.00 0.00 C ATOM 434 O PRO A 863 -1.762 -7.218 5.952 1.00 0.00 O ATOM 435 CB PRO A 863 -1.624 -8.416 8.917 1.00 0.00 C ATOM 436 CG PRO A 863 -1.082 -7.008 9.155 1.00 0.00 C ATOM 437 CD PRO A 863 0.336 -7.095 8.596 1.00 0.00 C ATOM 0 HA PRO A 863 -0.873 -9.876 7.487 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -2.713 -8.428 8.871 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.331 -9.102 9.711 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -1.675 -6.253 8.639 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -1.085 -6.747 10.213 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.669 -6.131 8.213 1.00 0.00 H new ATOM 0 HD3 PRO A 863 1.046 -7.395 9.366 1.00 0.00 H new ATOM 445 N ASP A 864 -2.746 -9.244 5.948 1.00 0.00 N ATOM 446 CA ASP A 864 -3.634 -8.939 4.844 1.00 0.00 C ATOM 447 C ASP A 864 -2.833 -8.829 3.554 1.00 0.00 C ATOM 448 O ASP A 864 -3.372 -8.447 2.518 1.00 0.00 O ATOM 449 CB ASP A 864 -4.375 -7.636 5.133 1.00 0.00 C ATOM 450 CG ASP A 864 -5.860 -7.891 5.346 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.339 -8.924 4.829 1.00 0.00 O ATOM 452 OD2 ASP A 864 -6.489 -7.049 6.022 1.00 0.00 O ATOM 0 H ASP A 864 -2.851 -10.187 6.323 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.365 -9.739 4.728 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -3.953 -7.162 6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -4.236 -6.943 4.304 1.00 0.00 H new ATOM 457 N PHE A 865 -1.543 -9.166 3.619 1.00 0.00 N ATOM 458 CA PHE A 865 -0.679 -9.102 2.458 1.00 0.00 C ATOM 459 C PHE A 865 -1.443 -9.553 1.221 1.00 0.00 C ATOM 460 O PHE A 865 -1.430 -8.870 0.198 1.00 0.00 O ATOM 461 CB PHE A 865 0.546 -9.983 2.688 1.00 0.00 C ATOM 462 CG PHE A 865 1.713 -9.638 1.795 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.272 -8.355 1.836 1.00 0.00 C ATOM 464 CD2 PHE A 865 2.239 -10.603 0.926 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.355 -8.037 1.009 1.00 0.00 C ATOM 466 CE2 PHE A 865 3.322 -10.284 0.099 1.00 0.00 C ATOM 467 CZ PHE A 865 3.881 -9.001 0.141 1.00 0.00 C ATOM 0 H PHE A 865 -1.081 -9.486 4.470 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.348 -8.075 2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 865 0.857 -9.894 3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.270 -11.025 2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 865 1.867 -7.611 2.506 1.00 0.00 H new ATOM 0 HD2 PHE A 865 1.809 -11.593 0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.785 -7.047 1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 865 3.727 -11.028 -0.572 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.718 -8.755 -0.496 1.00 0.00 H new ATOM 477 N SER A 866 -2.109 -10.705 1.315 1.00 0.00 N ATOM 478 CA SER A 866 -2.874 -11.238 0.206 1.00 0.00 C ATOM 479 C SER A 866 -3.348 -10.101 -0.689 1.00 0.00 C ATOM 480 O SER A 866 -2.766 -9.853 -1.742 1.00 0.00 O ATOM 481 CB SER A 866 -4.061 -12.033 0.743 1.00 0.00 C ATOM 482 OG SER A 866 -3.868 -13.404 0.473 1.00 0.00 O ATOM 0 H SER A 866 -2.129 -11.283 2.155 1.00 0.00 H new ATOM 0 HA SER A 866 -2.246 -11.903 -0.387 1.00 0.00 H new ATOM 0 HB2 SER A 866 -4.164 -11.874 1.816 1.00 0.00 H new ATOM 0 HB3 SER A 866 -4.985 -11.686 0.279 1.00 0.00 H new ATOM 0 HG SER A 866 -4.629 -13.916 0.819 1.00 0.00 H new ATOM 488 N ARG A 867 -4.407 -9.408 -0.265 1.00 0.00 N ATOM 489 CA ARG A 867 -4.953 -8.303 -1.026 1.00 0.00 C ATOM 490 C ARG A 867 -4.005 -7.113 -0.961 1.00 0.00 C ATOM 491 O ARG A 867 -3.782 -6.439 -1.964 1.00 0.00 O ATOM 492 CB ARG A 867 -6.325 -7.932 -0.471 1.00 0.00 C ATOM 493 CG ARG A 867 -7.133 -9.202 -0.222 1.00 0.00 C ATOM 494 CD ARG A 867 -7.714 -9.168 1.189 1.00 0.00 C ATOM 495 NE ARG A 867 -9.031 -9.802 1.230 1.00 0.00 N ATOM 496 CZ ARG A 867 -9.199 -11.131 1.177 1.00 0.00 C ATOM 497 NH1 ARG A 867 -8.133 -11.937 1.082 1.00 0.00 N ATOM 498 NH2 ARG A 867 -10.432 -11.653 1.218 1.00 0.00 N ATOM 0 H ARG A 867 -4.900 -9.601 0.607 1.00 0.00 H new ATOM 0 HA ARG A 867 -5.065 -8.596 -2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -6.214 -7.371 0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.851 -7.286 -1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -7.935 -9.285 -0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -6.498 -10.079 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -7.039 -9.679 1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -7.793 -8.135 1.529 1.00 0.00 H new ATOM 0 HE ARG A 867 -9.857 -9.208 1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -7.194 -11.539 1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -8.260 -12.948 1.042 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -11.244 -11.039 1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -10.559 -12.664 1.178 1.00 0.00 H new ATOM 512 N LEU A 868 -3.447 -6.857 0.225 1.00 0.00 N ATOM 513 CA LEU A 868 -2.528 -5.753 0.415 1.00 0.00 C ATOM 514 C LEU A 868 -1.685 -5.561 -0.837 1.00 0.00 C ATOM 515 O LEU A 868 -1.559 -4.447 -1.339 1.00 0.00 O ATOM 516 CB LEU A 868 -1.642 -6.033 1.626 1.00 0.00 C ATOM 517 CG LEU A 868 -2.178 -5.271 2.835 1.00 0.00 C ATOM 518 CD1 LEU A 868 -1.054 -4.445 3.455 1.00 0.00 C ATOM 519 CD2 LEU A 868 -3.306 -4.344 2.392 1.00 0.00 C ATOM 0 H LEU A 868 -3.622 -7.407 1.066 1.00 0.00 H new ATOM 0 HA LEU A 868 -3.088 -4.836 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -1.622 -7.102 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.616 -5.730 1.417 1.00 0.00 H new ATOM 0 HG LEU A 868 -2.557 -5.979 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -1.436 -3.901 4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -0.248 -5.107 3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -0.674 -3.737 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.689 -3.799 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -2.927 -3.636 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -4.109 -4.934 1.949 1.00 0.00 H new ATOM 531 N ARG A 869 -1.106 -6.654 -1.341 1.00 0.00 N ATOM 532 CA ARG A 869 -0.278 -6.601 -2.530 1.00 0.00 C ATOM 533 C ARG A 869 -1.138 -6.278 -3.743 1.00 0.00 C ATOM 534 O ARG A 869 -1.223 -5.124 -4.156 1.00 0.00 O ATOM 535 CB ARG A 869 0.433 -7.939 -2.712 1.00 0.00 C ATOM 536 CG ARG A 869 1.536 -7.790 -3.756 1.00 0.00 C ATOM 537 CD ARG A 869 2.831 -8.392 -3.217 1.00 0.00 C ATOM 538 NE ARG A 869 2.643 -9.794 -2.842 1.00 0.00 N ATOM 539 CZ ARG A 869 2.789 -10.803 -3.711 1.00 0.00 C ATOM 540 NH1 ARG A 869 3.123 -10.549 -4.984 1.00 0.00 N ATOM 541 NH2 ARG A 869 2.602 -12.067 -3.307 1.00 0.00 N ATOM 0 H ARG A 869 -1.201 -7.585 -0.936 1.00 0.00 H new ATOM 0 HA ARG A 869 0.472 -5.817 -2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 869 0.857 -8.270 -1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 869 -0.279 -8.702 -3.026 1.00 0.00 H new ATOM 0 HG2 ARG A 869 1.247 -8.290 -4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 869 1.684 -6.737 -3.996 1.00 0.00 H new ATOM 0 HD2 ARG A 869 3.613 -8.316 -3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 869 3.168 -7.822 -2.351 1.00 0.00 H new ATOM 0 HE ARG A 869 2.390 -10.012 -1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 869 3.266 -9.587 -5.291 1.00 0.00 H new ATOM 0 HH12 ARG A 869 3.234 -11.318 -5.645 1.00 0.00 H new ATOM 0 HH21 ARG A 869 2.349 -12.261 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 869 2.713 -12.836 -3.968 1.00 0.00 H new ATOM 555 N ARG A 870 -1.776 -7.302 -4.314 1.00 0.00 N ATOM 556 CA ARG A 870 -2.624 -7.123 -5.476 1.00 0.00 C ATOM 557 C ARG A 870 -3.412 -5.828 -5.344 1.00 0.00 C ATOM 558 O ARG A 870 -3.317 -4.951 -6.199 1.00 0.00 O ATOM 559 CB ARG A 870 -3.565 -8.317 -5.606 1.00 0.00 C ATOM 560 CG ARG A 870 -3.331 -9.005 -6.948 1.00 0.00 C ATOM 561 CD ARG A 870 -1.885 -9.486 -7.028 1.00 0.00 C ATOM 562 NE ARG A 870 -1.823 -10.940 -7.179 1.00 0.00 N ATOM 563 CZ ARG A 870 -0.678 -11.598 -7.403 1.00 0.00 C ATOM 564 NH1 ARG A 870 0.476 -10.923 -7.497 1.00 0.00 N ATOM 565 NH2 ARG A 870 -0.685 -12.932 -7.533 1.00 0.00 N ATOM 0 H ARG A 870 -1.716 -8.265 -3.983 1.00 0.00 H new ATOM 0 HA ARG A 870 -2.009 -7.062 -6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -3.393 -9.019 -4.790 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -4.601 -7.987 -5.530 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -4.013 -9.848 -7.060 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -3.541 -8.314 -7.764 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -1.385 -9.008 -7.870 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -1.348 -9.187 -6.128 1.00 0.00 H new ATOM 0 HE ARG A 870 -2.689 -11.475 -7.111 1.00 0.00 H new ATOM 0 HH11 ARG A 870 0.483 -9.908 -7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 870 1.348 -11.424 -7.668 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -1.563 -13.447 -7.461 1.00 0.00 H new ATOM 0 HH22 ARG A 870 0.187 -13.432 -7.704 1.00 0.00 H new ATOM 579 N TYR A 871 -4.193 -5.709 -4.267 1.00 0.00 N ATOM 580 CA TYR A 871 -4.992 -4.523 -4.032 1.00 0.00 C ATOM 581 C TYR A 871 -4.184 -3.279 -4.371 1.00 0.00 C ATOM 582 O TYR A 871 -4.543 -2.530 -5.277 1.00 0.00 O ATOM 583 CB TYR A 871 -5.442 -4.496 -2.574 1.00 0.00 C ATOM 584 CG TYR A 871 -6.495 -3.453 -2.287 1.00 0.00 C ATOM 585 CD1 TYR A 871 -7.611 -3.337 -3.125 1.00 0.00 C ATOM 586 CD2 TYR A 871 -6.356 -2.602 -1.185 1.00 0.00 C ATOM 587 CE1 TYR A 871 -8.588 -2.369 -2.859 1.00 0.00 C ATOM 588 CE2 TYR A 871 -7.333 -1.634 -0.919 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.449 -1.518 -1.757 1.00 0.00 C ATOM 590 OH TYR A 871 -9.400 -0.576 -1.498 1.00 0.00 O ATOM 0 H TYR A 871 -4.283 -6.426 -3.547 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.875 -4.542 -4.671 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.832 -5.478 -2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.576 -4.311 -1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -7.718 -3.993 -3.976 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -5.495 -2.692 -0.539 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -9.449 -2.279 -3.505 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -7.226 -0.978 -0.068 1.00 0.00 H new ATOM 600 N PHE A 872 -3.088 -3.060 -3.641 1.00 0.00 N ATOM 601 CA PHE A 872 -2.236 -1.910 -3.869 1.00 0.00 C ATOM 602 C PHE A 872 -1.874 -1.820 -5.345 1.00 0.00 C ATOM 603 O PHE A 872 -2.621 -1.248 -6.136 1.00 0.00 O ATOM 604 CB PHE A 872 -0.981 -2.029 -3.010 1.00 0.00 C ATOM 605 CG PHE A 872 -0.188 -0.747 -2.920 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.296 -0.141 -4.086 1.00 0.00 C ATOM 607 CD2 PHE A 872 0.062 -0.164 -1.672 1.00 0.00 C ATOM 608 CE1 PHE A 872 1.030 1.049 -4.003 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.796 1.025 -1.589 1.00 0.00 C ATOM 610 CZ PHE A 872 1.280 1.631 -2.754 1.00 0.00 C ATOM 0 H PHE A 872 -2.776 -3.671 -2.886 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.766 -0.999 -3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -1.266 -2.342 -2.006 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -0.344 -2.813 -3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.103 -0.591 -5.049 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.312 -0.632 -0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.403 1.518 -4.902 1.00 0.00 H new ATOM 0 HE2 PHE A 872 0.989 1.475 -0.626 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.847 2.548 -2.690 1.00 0.00 H new ATOM 620 N VAL A 873 -0.724 -2.388 -5.714 1.00 0.00 N ATOM 621 CA VAL A 873 -0.269 -2.370 -7.090 1.00 0.00 C ATOM 622 C VAL A 873 -1.466 -2.327 -8.027 1.00 0.00 C ATOM 623 O VAL A 873 -1.430 -1.652 -9.053 1.00 0.00 O ATOM 624 CB VAL A 873 0.586 -3.606 -7.358 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.163 -4.731 -6.418 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.393 -4.052 -8.805 1.00 0.00 C ATOM 0 H VAL A 873 -0.094 -2.866 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 873 0.337 -1.481 -7.267 1.00 0.00 H new ATOM 0 HB VAL A 873 1.636 -3.367 -7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 873 0.773 -5.614 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.299 -4.412 -5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.886 -4.972 -6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 873 1.003 -4.935 -8.998 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.657 -4.292 -8.975 1.00 0.00 H new ATOM 0 HG23 VAL A 873 0.695 -3.248 -9.477 1.00 0.00 H new ATOM 636 N ALA A 874 -2.530 -3.052 -7.673 1.00 0.00 N ATOM 637 CA ALA A 874 -3.731 -3.094 -8.483 1.00 0.00 C ATOM 638 C ALA A 874 -4.252 -1.682 -8.705 1.00 0.00 C ATOM 639 O ALA A 874 -4.403 -1.246 -9.845 1.00 0.00 O ATOM 640 CB ALA A 874 -4.782 -3.956 -7.789 1.00 0.00 C ATOM 0 H ALA A 874 -2.575 -3.617 -6.825 1.00 0.00 H new ATOM 0 HA ALA A 874 -3.504 -3.533 -9.455 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.686 -3.988 -8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -4.396 -4.967 -7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -5.016 -3.529 -6.814 1.00 0.00 H new ATOM 646 N PHE A 875 -4.528 -0.966 -7.613 1.00 0.00 N ATOM 647 CA PHE A 875 -5.030 0.391 -7.697 1.00 0.00 C ATOM 648 C PHE A 875 -4.412 1.097 -8.895 1.00 0.00 C ATOM 649 O PHE A 875 -5.122 1.701 -9.696 1.00 0.00 O ATOM 650 CB PHE A 875 -4.704 1.133 -6.404 1.00 0.00 C ATOM 651 CG PHE A 875 -5.254 0.461 -5.168 1.00 0.00 C ATOM 652 CD1 PHE A 875 -5.941 -0.753 -5.279 1.00 0.00 C ATOM 653 CD2 PHE A 875 -5.073 1.051 -3.911 1.00 0.00 C ATOM 654 CE1 PHE A 875 -6.449 -1.377 -4.133 1.00 0.00 C ATOM 655 CE2 PHE A 875 -5.580 0.427 -2.766 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.268 -0.787 -2.876 1.00 0.00 C ATOM 0 H PHE A 875 -4.409 -1.312 -6.661 1.00 0.00 H new ATOM 0 HA PHE A 875 -6.112 0.375 -7.829 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.622 1.222 -6.308 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -5.103 2.146 -6.465 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -6.079 -1.209 -6.248 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -4.542 1.988 -3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -6.980 -2.313 -4.219 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -5.440 0.882 -1.797 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.659 -1.268 -1.992 1.00 0.00 H new ATOM 666 N ASP A 876 -3.085 1.021 -9.016 1.00 0.00 N ATOM 667 CA ASP A 876 -2.380 1.652 -10.114 1.00 0.00 C ATOM 668 C ASP A 876 -0.975 2.034 -9.671 1.00 0.00 C ATOM 669 O ASP A 876 -0.290 2.791 -10.356 1.00 0.00 O ATOM 670 CB ASP A 876 -3.155 2.884 -10.574 1.00 0.00 C ATOM 671 CG ASP A 876 -4.046 2.552 -11.763 1.00 0.00 C ATOM 672 OD1 ASP A 876 -3.861 1.449 -12.320 1.00 0.00 O ATOM 673 OD2 ASP A 876 -4.895 3.408 -12.092 1.00 0.00 O ATOM 0 H ASP A 876 -2.482 0.525 -8.360 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.301 0.956 -10.949 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.763 3.263 -9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.458 3.676 -10.847 1.00 0.00 H new ATOM 678 N GLY A 877 -0.544 1.508 -8.522 1.00 0.00 N ATOM 679 CA GLY A 877 0.776 1.800 -7.999 1.00 0.00 C ATOM 680 C GLY A 877 1.731 0.655 -8.308 1.00 0.00 C ATOM 681 O GLY A 877 1.616 0.011 -9.349 1.00 0.00 O ATOM 0 H GLY A 877 -1.097 0.878 -7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 877 1.152 2.725 -8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.721 1.957 -6.922 1.00 0.00 H new ATOM 685 N ASP A 878 2.676 0.402 -7.400 1.00 0.00 N ATOM 686 CA ASP A 878 3.644 -0.660 -7.580 1.00 0.00 C ATOM 687 C ASP A 878 4.253 -1.035 -6.236 1.00 0.00 C ATOM 688 O ASP A 878 4.304 -0.212 -5.325 1.00 0.00 O ATOM 689 CB ASP A 878 4.725 -0.203 -8.555 1.00 0.00 C ATOM 690 CG ASP A 878 5.139 -1.338 -9.480 1.00 0.00 C ATOM 691 OD1 ASP A 878 4.230 -2.085 -9.904 1.00 0.00 O ATOM 692 OD2 ASP A 878 6.356 -1.439 -9.746 1.00 0.00 O ATOM 0 H ASP A 878 2.784 0.926 -6.532 1.00 0.00 H new ATOM 0 HA ASP A 878 3.151 -1.541 -7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 878 4.356 0.636 -9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.593 0.154 -8.000 1.00 0.00 H new ATOM 697 N LEU A 879 4.716 -2.281 -6.114 1.00 0.00 N ATOM 698 CA LEU A 879 5.318 -2.757 -4.885 1.00 0.00 C ATOM 699 C LEU A 879 6.704 -3.318 -5.172 1.00 0.00 C ATOM 700 O LEU A 879 6.846 -4.263 -5.946 1.00 0.00 O ATOM 701 CB LEU A 879 4.423 -3.822 -4.260 1.00 0.00 C ATOM 702 CG LEU A 879 2.961 -3.408 -4.406 1.00 0.00 C ATOM 703 CD1 LEU A 879 2.105 -4.205 -3.426 1.00 0.00 C ATOM 704 CD2 LEU A 879 2.823 -1.918 -4.108 1.00 0.00 C ATOM 0 H LEU A 879 4.681 -2.975 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 879 5.421 -1.930 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 879 4.590 -4.783 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 879 4.673 -3.949 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 879 2.627 -3.608 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 879 1.061 -3.909 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 879 2.204 -5.269 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.438 -4.007 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 879 1.779 -1.621 -4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 879 3.157 -1.718 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 879 3.434 -1.349 -4.809 1.00 0.00 H new ATOM 716 N VAL A 880 7.727 -2.734 -4.545 1.00 0.00 N ATOM 717 CA VAL A 880 9.094 -3.177 -4.734 1.00 0.00 C ATOM 718 C VAL A 880 9.493 -4.114 -3.603 1.00 0.00 C ATOM 719 O VAL A 880 9.191 -3.851 -2.441 1.00 0.00 O ATOM 720 CB VAL A 880 10.019 -1.964 -4.783 1.00 0.00 C ATOM 721 CG1 VAL A 880 10.928 -2.066 -6.004 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.183 -0.691 -4.878 1.00 0.00 C ATOM 0 H VAL A 880 7.625 -1.950 -3.901 1.00 0.00 H new ATOM 0 HA VAL A 880 9.178 -3.720 -5.676 1.00 0.00 H new ATOM 0 HB VAL A 880 10.627 -1.934 -3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.589 -1.200 -6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.525 -2.975 -5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.320 -2.096 -6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.843 0.176 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.575 -0.721 -5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.533 -0.617 -4.006 1.00 0.00 H new ATOM 732 N GLN A 881 10.174 -5.210 -3.946 1.00 0.00 N ATOM 733 CA GLN A 881 10.609 -6.178 -2.960 1.00 0.00 C ATOM 734 C GLN A 881 11.557 -5.517 -1.969 1.00 0.00 C ATOM 735 O GLN A 881 12.493 -4.827 -2.368 1.00 0.00 O ATOM 736 CB GLN A 881 11.293 -7.347 -3.664 1.00 0.00 C ATOM 737 CG GLN A 881 10.426 -7.818 -4.828 1.00 0.00 C ATOM 738 CD GLN A 881 11.248 -7.942 -6.102 1.00 0.00 C ATOM 739 OE1 GLN A 881 12.000 -8.900 -6.268 1.00 0.00 O ATOM 740 NE2 GLN A 881 11.104 -6.968 -7.004 1.00 0.00 N ATOM 0 H GLN A 881 10.432 -5.442 -4.905 1.00 0.00 H new ATOM 0 HA GLN A 881 9.746 -6.555 -2.410 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.274 -7.042 -4.028 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.453 -8.165 -2.962 1.00 0.00 H new ATOM 0 HG2 GLN A 881 9.976 -8.781 -4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 881 9.608 -7.115 -4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 881 10.467 -6.193 -6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 881 11.631 -6.999 -7.877 1.00 0.00 H new ATOM 749 N GLU A 882 11.312 -5.729 -0.673 1.00 0.00 N ATOM 750 CA GLU A 882 12.146 -5.153 0.363 1.00 0.00 C ATOM 751 C GLU A 882 13.556 -4.932 -0.167 1.00 0.00 C ATOM 752 O GLU A 882 13.983 -3.794 -0.346 1.00 0.00 O ATOM 753 CB GLU A 882 12.163 -6.082 1.574 1.00 0.00 C ATOM 754 CG GLU A 882 13.044 -5.480 2.664 1.00 0.00 C ATOM 755 CD GLU A 882 13.802 -6.568 3.413 1.00 0.00 C ATOM 756 OE1 GLU A 882 14.143 -7.575 2.756 1.00 0.00 O ATOM 757 OE2 GLU A 882 14.025 -6.371 4.626 1.00 0.00 O ATOM 0 H GLU A 882 10.540 -6.297 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 882 11.740 -4.188 0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.150 -6.227 1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.540 -7.064 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 882 13.751 -4.779 2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.429 -4.913 3.363 1.00 0.00 H new ATOM 764 N PHE A 883 14.279 -6.026 -0.418 1.00 0.00 N ATOM 765 CA PHE A 883 15.633 -5.944 -0.926 1.00 0.00 C ATOM 766 C PHE A 883 15.625 -5.345 -2.325 1.00 0.00 C ATOM 767 O PHE A 883 16.630 -5.398 -3.032 1.00 0.00 O ATOM 768 CB PHE A 883 16.255 -7.338 -0.938 1.00 0.00 C ATOM 769 CG PHE A 883 15.713 -8.231 -2.027 1.00 0.00 C ATOM 770 CD1 PHE A 883 14.566 -9.001 -1.795 1.00 0.00 C ATOM 771 CD2 PHE A 883 16.357 -8.293 -3.268 1.00 0.00 C ATOM 772 CE1 PHE A 883 14.064 -9.831 -2.804 1.00 0.00 C ATOM 773 CE2 PHE A 883 15.855 -9.123 -4.278 1.00 0.00 C ATOM 774 CZ PHE A 883 14.709 -9.892 -4.046 1.00 0.00 C ATOM 0 H PHE A 883 13.940 -6.977 -0.274 1.00 0.00 H new ATOM 0 HA PHE A 883 16.229 -5.299 -0.281 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.334 -7.244 -1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.083 -7.812 0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 883 14.069 -8.954 -0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 883 17.242 -7.700 -3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 883 13.180 -10.424 -2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 883 16.352 -9.170 -5.236 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.322 -10.533 -4.825 1.00 0.00 H new ATOM 784 N ASP A 884 14.487 -4.774 -2.725 1.00 0.00 N ATOM 785 CA ASP A 884 14.354 -4.169 -4.036 1.00 0.00 C ATOM 786 C ASP A 884 13.497 -2.915 -3.940 1.00 0.00 C ATOM 787 O ASP A 884 12.276 -2.986 -4.053 1.00 0.00 O ATOM 788 CB ASP A 884 13.733 -5.177 -4.999 1.00 0.00 C ATOM 789 CG ASP A 884 14.641 -6.385 -5.182 1.00 0.00 C ATOM 790 OD1 ASP A 884 15.862 -6.213 -4.980 1.00 0.00 O ATOM 791 OD2 ASP A 884 14.096 -7.458 -5.519 1.00 0.00 O ATOM 0 H ASP A 884 13.645 -4.722 -2.151 1.00 0.00 H new ATOM 0 HA ASP A 884 15.337 -3.885 -4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 884 12.764 -5.500 -4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.554 -4.702 -5.964 1.00 0.00 H new ATOM 796 N MET A 885 14.140 -1.764 -3.732 1.00 0.00 N ATOM 797 CA MET A 885 13.432 -0.505 -3.621 1.00 0.00 C ATOM 798 C MET A 885 14.263 0.613 -4.235 1.00 0.00 C ATOM 799 O MET A 885 13.717 1.548 -4.816 1.00 0.00 O ATOM 800 CB MET A 885 13.141 -0.214 -2.151 1.00 0.00 C ATOM 801 CG MET A 885 14.146 -0.958 -1.276 1.00 0.00 C ATOM 802 SD MET A 885 13.652 -1.090 0.460 1.00 0.00 S ATOM 803 CE MET A 885 12.254 -2.225 0.278 1.00 0.00 C ATOM 0 H MET A 885 15.153 -1.687 -3.638 1.00 0.00 H new ATOM 0 HA MET A 885 12.488 -0.568 -4.162 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.202 0.858 -1.962 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.126 -0.524 -1.902 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.292 -1.960 -1.679 1.00 0.00 H new ATOM 0 HG3 MET A 885 15.108 -0.449 -1.332 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.251 -2.934 1.106 1.00 0.00 H new ATOM 0 HE2 MET A 885 11.323 -1.659 0.282 1.00 0.00 H new ATOM 0 HE3 MET A 885 12.345 -2.767 -0.664 1.00 0.00 H new ATOM 813 N THR A 886 15.588 0.514 -4.107 1.00 0.00 N ATOM 814 CA THR A 886 16.482 1.515 -4.652 1.00 0.00 C ATOM 815 C THR A 886 15.722 2.426 -5.605 1.00 0.00 C ATOM 816 O THR A 886 15.767 3.647 -5.469 1.00 0.00 O ATOM 817 CB THR A 886 17.639 0.826 -5.371 1.00 0.00 C ATOM 818 OG1 THR A 886 17.211 0.394 -6.643 1.00 0.00 O ATOM 819 CG2 THR A 886 18.101 -0.378 -4.554 1.00 0.00 C ATOM 0 H THR A 886 16.058 -0.254 -3.628 1.00 0.00 H new ATOM 0 HA THR A 886 16.884 2.125 -3.843 1.00 0.00 H new ATOM 0 HB THR A 886 18.466 1.527 -5.484 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.954 -0.047 -7.106 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.927 -0.870 -5.067 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.432 -0.045 -3.570 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.275 -1.080 -4.441 1.00 0.00 H new ATOM 827 N SER A 887 15.022 1.829 -6.572 1.00 0.00 N ATOM 828 CA SER A 887 14.256 2.588 -7.540 1.00 0.00 C ATOM 829 C SER A 887 12.813 2.714 -7.073 1.00 0.00 C ATOM 830 O SER A 887 12.052 3.517 -7.608 1.00 0.00 O ATOM 831 CB SER A 887 14.327 1.897 -8.898 1.00 0.00 C ATOM 832 OG SER A 887 15.283 2.547 -9.706 1.00 0.00 O ATOM 0 H SER A 887 14.975 0.818 -6.699 1.00 0.00 H new ATOM 0 HA SER A 887 14.674 3.590 -7.635 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.595 0.848 -8.771 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.350 1.920 -9.381 1.00 0.00 H new ATOM 0 HG SER A 887 15.331 2.103 -10.578 1.00 0.00 H new ATOM 838 N ALA A 888 12.438 1.917 -6.069 1.00 0.00 N ATOM 839 CA ALA A 888 11.091 1.942 -5.536 1.00 0.00 C ATOM 840 C ALA A 888 10.685 3.376 -5.227 1.00 0.00 C ATOM 841 O ALA A 888 11.254 4.316 -5.778 1.00 0.00 O ATOM 842 CB ALA A 888 11.026 1.079 -4.279 1.00 0.00 C ATOM 0 H ALA A 888 13.058 1.247 -5.613 1.00 0.00 H new ATOM 0 HA ALA A 888 10.397 1.540 -6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 888 10.013 1.097 -3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.300 0.054 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.719 1.469 -3.534 1.00 0.00 H new ATOM 848 N THR A 889 9.699 3.543 -4.343 1.00 0.00 N ATOM 849 CA THR A 889 9.227 4.861 -3.969 1.00 0.00 C ATOM 850 C THR A 889 8.531 4.798 -2.617 1.00 0.00 C ATOM 851 O THR A 889 8.703 5.687 -1.785 1.00 0.00 O ATOM 852 CB THR A 889 8.277 5.384 -5.042 1.00 0.00 C ATOM 853 OG1 THR A 889 8.544 6.747 -5.282 1.00 0.00 O ATOM 854 CG2 THR A 889 6.836 5.224 -4.568 1.00 0.00 C ATOM 0 H THR A 889 9.216 2.775 -3.877 1.00 0.00 H new ATOM 0 HA THR A 889 10.073 5.543 -3.887 1.00 0.00 H new ATOM 0 HB THR A 889 8.422 4.818 -5.962 1.00 0.00 H new ATOM 0 HG1 THR A 889 7.908 7.298 -4.780 1.00 0.00 H new ATOM 0 HG21 THR A 889 6.157 5.598 -5.335 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.629 4.170 -4.382 1.00 0.00 H new ATOM 0 HG23 THR A 889 6.691 5.790 -3.648 1.00 0.00 H new ATOM 862 N HIS A 890 7.742 3.744 -2.398 1.00 0.00 N ATOM 863 CA HIS A 890 7.025 3.575 -1.150 1.00 0.00 C ATOM 864 C HIS A 890 7.461 2.284 -0.471 1.00 0.00 C ATOM 865 O HIS A 890 7.854 1.330 -1.139 1.00 0.00 O ATOM 866 CB HIS A 890 5.524 3.560 -1.425 1.00 0.00 C ATOM 867 CG HIS A 890 4.953 4.941 -1.599 1.00 0.00 C ATOM 868 ND1 HIS A 890 4.777 5.602 -2.793 1.00 0.00 N ATOM 869 CD2 HIS A 890 4.514 5.765 -0.597 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.242 6.804 -2.509 1.00 0.00 C ATOM 871 NE2 HIS A 890 4.063 6.950 -1.186 1.00 0.00 N ATOM 0 H HIS A 890 7.589 2.997 -3.076 1.00 0.00 H new ATOM 0 HA HIS A 890 7.252 4.406 -0.482 1.00 0.00 H new ATOM 0 HB2 HIS A 890 5.329 2.975 -2.324 1.00 0.00 H new ATOM 0 HB3 HIS A 890 5.013 3.061 -0.602 1.00 0.00 H new ATOM 0 HD2 HIS A 890 4.516 5.540 0.459 1.00 0.00 H new ATOM 0 HE1 HIS A 890 3.990 7.551 -3.247 1.00 0.00 H new ATOM 0 HE2 HIS A 890 3.676 7.763 -0.707 1.00 0.00 H new ATOM 879 N VAL A 891 7.390 2.257 0.862 1.00 0.00 N ATOM 880 CA VAL A 891 7.776 1.086 1.625 1.00 0.00 C ATOM 881 C VAL A 891 6.883 0.952 2.850 1.00 0.00 C ATOM 882 O VAL A 891 6.777 1.881 3.648 1.00 0.00 O ATOM 883 CB VAL A 891 9.241 1.208 2.034 1.00 0.00 C ATOM 884 CG1 VAL A 891 10.125 1.120 0.794 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.466 2.550 2.725 1.00 0.00 C ATOM 0 H VAL A 891 7.066 3.040 1.430 1.00 0.00 H new ATOM 0 HA VAL A 891 7.656 0.192 1.013 1.00 0.00 H new ATOM 0 HB VAL A 891 9.495 0.399 2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.171 1.207 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 891 9.965 0.162 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 891 9.871 1.928 0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.512 2.638 3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.212 3.359 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.835 2.613 3.612 1.00 0.00 H new ATOM 895 N LEU A 892 6.239 -0.208 2.997 1.00 0.00 N ATOM 896 CA LEU A 892 5.360 -0.458 4.122 1.00 0.00 C ATOM 897 C LEU A 892 6.184 -0.795 5.357 1.00 0.00 C ATOM 898 O LEU A 892 6.957 -1.750 5.348 1.00 0.00 O ATOM 899 CB LEU A 892 4.408 -1.600 3.779 1.00 0.00 C ATOM 900 CG LEU A 892 2.977 -1.185 4.107 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.059 -1.558 2.946 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.516 -1.903 5.372 1.00 0.00 C ATOM 0 H LEU A 892 6.316 -0.987 2.343 1.00 0.00 H new ATOM 0 HA LEU A 892 4.773 0.436 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.492 -1.852 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.677 -2.494 4.342 1.00 0.00 H new ATOM 0 HG LEU A 892 2.939 -0.107 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 892 1.037 -1.261 3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.388 -1.044 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 892 2.096 -2.635 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.494 -1.607 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.554 -2.981 5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.171 -1.635 6.201 1.00 0.00 H new ATOM 914 N GLY A 893 6.017 -0.008 6.422 1.00 0.00 N ATOM 915 CA GLY A 893 6.747 -0.230 7.654 1.00 0.00 C ATOM 916 C GLY A 893 8.241 -0.310 7.375 1.00 0.00 C ATOM 917 O GLY A 893 8.700 -1.222 6.692 1.00 0.00 O ATOM 0 H GLY A 893 5.380 0.788 6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.544 0.579 8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 893 6.408 -1.153 8.124 1.00 0.00 H new ATOM 921 N SER A 894 9.000 0.651 7.908 1.00 0.00 N ATOM 922 CA SER A 894 10.436 0.684 7.714 1.00 0.00 C ATOM 923 C SER A 894 10.760 1.268 6.347 1.00 0.00 C ATOM 924 O SER A 894 9.875 1.420 5.508 1.00 0.00 O ATOM 925 CB SER A 894 10.999 -0.728 7.846 1.00 0.00 C ATOM 926 OG SER A 894 11.160 -1.044 9.211 1.00 0.00 O ATOM 0 H SER A 894 8.635 1.414 8.477 1.00 0.00 H new ATOM 0 HA SER A 894 10.894 1.317 8.474 1.00 0.00 H new ATOM 0 HB2 SER A 894 10.328 -1.444 7.373 1.00 0.00 H new ATOM 0 HB3 SER A 894 11.956 -0.799 7.330 1.00 0.00 H new ATOM 0 HG SER A 894 11.520 -1.951 9.296 1.00 0.00 H new ATOM 932 N ARG A 895 12.035 1.596 6.123 1.00 0.00 N ATOM 933 CA ARG A 895 12.469 2.160 4.861 1.00 0.00 C ATOM 934 C ARG A 895 13.861 1.648 4.519 1.00 0.00 C ATOM 935 O ARG A 895 14.189 1.471 3.348 1.00 0.00 O ATOM 936 CB ARG A 895 12.463 3.683 4.958 1.00 0.00 C ATOM 937 CG ARG A 895 13.261 4.119 6.184 1.00 0.00 C ATOM 938 CD ARG A 895 13.687 5.575 6.023 1.00 0.00 C ATOM 939 NE ARG A 895 13.265 6.376 7.173 1.00 0.00 N ATOM 940 CZ ARG A 895 13.077 7.701 7.104 1.00 0.00 C ATOM 941 NH1 ARG A 895 13.274 8.347 5.947 1.00 0.00 N ATOM 942 NH2 ARG A 895 12.691 8.380 8.193 1.00 0.00 N ATOM 0 H ARG A 895 12.781 1.477 6.808 1.00 0.00 H new ATOM 0 HA ARG A 895 11.786 1.856 4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 895 12.895 4.117 4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.439 4.049 5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.657 4.003 7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 895 14.138 3.484 6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 895 14.770 5.631 5.915 1.00 0.00 H new ATOM 0 HD3 ARG A 895 13.254 5.986 5.111 1.00 0.00 H new ATOM 0 HE ARG A 895 13.107 5.906 8.064 1.00 0.00 H new ATOM 0 HH11 ARG A 895 13.567 7.830 5.118 1.00 0.00 H new ATOM 0 HH12 ARG A 895 13.131 9.356 5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 895 12.540 7.888 9.074 1.00 0.00 H new ATOM 0 HH22 ARG A 895 12.548 9.389 8.141 1.00 0.00 H new ATOM 956 N ASP A 896 14.680 1.409 5.545 1.00 0.00 N ATOM 957 CA ASP A 896 16.030 0.919 5.348 1.00 0.00 C ATOM 958 C ASP A 896 16.199 0.439 3.914 1.00 0.00 C ATOM 959 O ASP A 896 16.807 1.125 3.096 1.00 0.00 O ATOM 960 CB ASP A 896 16.309 -0.212 6.334 1.00 0.00 C ATOM 961 CG ASP A 896 17.485 -1.059 5.871 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.214 -0.578 4.976 1.00 0.00 O ATOM 963 OD2 ASP A 896 17.634 -2.172 6.420 1.00 0.00 O ATOM 0 H ASP A 896 14.423 1.550 6.522 1.00 0.00 H new ATOM 0 HA ASP A 896 16.743 1.723 5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.521 0.203 7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.423 -0.838 6.436 1.00 0.00 H new ATOM 968 N LYS A 897 15.659 -0.744 3.611 1.00 0.00 N ATOM 969 CA LYS A 897 15.754 -1.307 2.279 1.00 0.00 C ATOM 970 C LYS A 897 15.766 -0.191 1.244 1.00 0.00 C ATOM 971 O LYS A 897 16.432 -0.300 0.217 1.00 0.00 O ATOM 972 CB LYS A 897 14.578 -2.250 2.041 1.00 0.00 C ATOM 973 CG LYS A 897 13.622 -2.181 3.229 1.00 0.00 C ATOM 974 CD LYS A 897 12.706 -0.970 3.075 1.00 0.00 C ATOM 975 CE LYS A 897 12.078 -0.632 4.424 1.00 0.00 C ATOM 976 NZ LYS A 897 10.722 -0.088 4.254 1.00 0.00 N ATOM 0 H LYS A 897 15.152 -1.325 4.278 1.00 0.00 H new ATOM 0 HA LYS A 897 16.682 -1.871 2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.057 -1.974 1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 897 14.937 -3.270 1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.029 -3.094 3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.185 -2.108 4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.273 -0.117 2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 897 11.927 -1.181 2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.039 -1.527 5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.701 0.093 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.153 -0.303 5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.775 0.943 4.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.277 -0.519 3.418 1.00 0.00 H new ATOM 990 N ASN A 898 15.027 0.887 1.518 1.00 0.00 N ATOM 991 CA ASN A 898 14.959 2.015 0.611 1.00 0.00 C ATOM 992 C ASN A 898 14.493 3.255 1.360 1.00 0.00 C ATOM 993 O ASN A 898 13.296 3.450 1.560 1.00 0.00 O ATOM 994 CB ASN A 898 14.007 1.687 -0.536 1.00 0.00 C ATOM 995 CG ASN A 898 14.647 2.001 -1.880 1.00 0.00 C ATOM 996 OD1 ASN A 898 15.813 1.683 -2.103 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.881 2.624 -2.778 1.00 0.00 N ATOM 0 H ASN A 898 14.469 0.994 2.365 1.00 0.00 H new ATOM 0 HA ASN A 898 15.949 2.215 0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.733 0.633 -0.497 1.00 0.00 H new ATOM 0 HB3 ASN A 898 13.086 2.260 -0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 898 14.258 2.857 -3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 898 12.918 2.867 -2.546 1.00 0.00 H new ATOM 1004 N PRO A 899 15.444 4.096 1.774 1.00 0.00 N ATOM 1005 CA PRO A 899 15.189 5.323 2.497 1.00 0.00 C ATOM 1006 C PRO A 899 14.587 6.356 1.555 1.00 0.00 C ATOM 1007 O PRO A 899 14.116 7.402 1.996 1.00 0.00 O ATOM 1008 CB PRO A 899 16.560 5.773 2.999 1.00 0.00 C ATOM 1009 CG PRO A 899 17.506 5.230 1.930 1.00 0.00 C ATOM 1010 CD PRO A 899 16.860 3.898 1.555 1.00 0.00 C ATOM 0 HA PRO A 899 14.484 5.193 3.318 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.624 6.858 3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.785 5.364 3.984 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.577 5.901 1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.517 5.096 2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 899 17.066 3.637 0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 899 17.245 3.085 2.171 1.00 0.00 H new ATOM 1018 N ALA A 900 14.605 6.061 0.253 1.00 0.00 N ATOM 1019 CA ALA A 900 14.065 6.963 -0.744 1.00 0.00 C ATOM 1020 C ALA A 900 12.588 6.668 -0.960 1.00 0.00 C ATOM 1021 O ALA A 900 11.917 7.369 -1.714 1.00 0.00 O ATOM 1022 CB ALA A 900 14.845 6.807 -2.046 1.00 0.00 C ATOM 0 H ALA A 900 14.992 5.198 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 900 14.162 7.993 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 900 14.439 7.485 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.895 7.044 -1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.759 5.780 -2.401 1.00 0.00 H new ATOM 1028 N ALA A 901 12.082 5.627 -0.296 1.00 0.00 N ATOM 1029 CA ALA A 901 10.690 5.244 -0.419 1.00 0.00 C ATOM 1030 C ALA A 901 9.864 5.957 0.641 1.00 0.00 C ATOM 1031 O ALA A 901 10.257 7.014 1.130 1.00 0.00 O ATOM 1032 CB ALA A 901 10.565 3.730 -0.275 1.00 0.00 C ATOM 0 H ALA A 901 12.626 5.037 0.334 1.00 0.00 H new ATOM 0 HA ALA A 901 10.314 5.534 -1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.518 3.441 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 901 11.147 3.241 -1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 901 10.941 3.425 0.702 1.00 0.00 H new ATOM 1038 N GLN A 902 8.714 5.377 0.995 1.00 0.00 N ATOM 1039 CA GLN A 902 7.840 5.960 1.993 1.00 0.00 C ATOM 1040 C GLN A 902 7.529 4.932 3.072 1.00 0.00 C ATOM 1041 O GLN A 902 7.187 3.792 2.766 1.00 0.00 O ATOM 1042 CB GLN A 902 6.557 6.444 1.322 1.00 0.00 C ATOM 1043 CG GLN A 902 6.748 7.876 0.832 1.00 0.00 C ATOM 1044 CD GLN A 902 7.217 8.779 1.964 1.00 0.00 C ATOM 1045 OE1 GLN A 902 8.008 9.694 1.743 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.728 8.519 3.178 1.00 0.00 N ATOM 0 H GLN A 902 8.374 4.501 0.598 1.00 0.00 H new ATOM 0 HA GLN A 902 8.334 6.811 2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 902 6.304 5.793 0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.726 6.397 2.026 1.00 0.00 H new ATOM 0 HG2 GLN A 902 7.477 7.893 0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.810 8.254 0.425 1.00 0.00 H new ATOM 0 HE21 GLN A 902 6.074 7.748 3.310 1.00 0.00 H new ATOM 0 HE22 GLN A 902 7.008 9.092 3.974 1.00 0.00 H new ATOM 1055 N GLN A 903 7.649 5.339 4.338 1.00 0.00 N ATOM 1056 CA GLN A 903 7.382 4.453 5.453 1.00 0.00 C ATOM 1057 C GLN A 903 5.907 4.518 5.822 1.00 0.00 C ATOM 1058 O GLN A 903 5.555 4.993 6.900 1.00 0.00 O ATOM 1059 CB GLN A 903 8.255 4.854 6.639 1.00 0.00 C ATOM 1060 CG GLN A 903 9.692 4.405 6.390 1.00 0.00 C ATOM 1061 CD GLN A 903 10.655 5.577 6.510 1.00 0.00 C ATOM 1062 OE1 GLN A 903 11.147 5.870 7.597 1.00 0.00 O ATOM 1063 NE2 GLN A 903 10.924 6.248 5.387 1.00 0.00 N ATOM 0 H GLN A 903 7.931 6.281 4.608 1.00 0.00 H new ATOM 0 HA GLN A 903 7.620 3.427 5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 903 8.220 5.934 6.781 1.00 0.00 H new ATOM 0 HB3 GLN A 903 7.874 4.400 7.554 1.00 0.00 H new ATOM 0 HG2 GLN A 903 9.965 3.630 7.107 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.772 3.963 5.397 1.00 0.00 H new ATOM 0 HE21 GLN A 903 10.490 5.966 4.508 1.00 0.00 H new ATOM 0 HE22 GLN A 903 11.563 7.042 5.408 1.00 0.00 H new ATOM 1072 N VAL A 904 5.043 4.039 4.924 1.00 0.00 N ATOM 1073 CA VAL A 904 3.614 4.044 5.159 1.00 0.00 C ATOM 1074 C VAL A 904 3.212 2.786 5.915 1.00 0.00 C ATOM 1075 O VAL A 904 4.021 1.877 6.086 1.00 0.00 O ATOM 1076 CB VAL A 904 2.880 4.130 3.823 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.864 4.526 2.727 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.268 2.772 3.491 1.00 0.00 C ATOM 0 H VAL A 904 5.319 3.643 4.026 1.00 0.00 H new ATOM 0 HA VAL A 904 3.343 4.910 5.764 1.00 0.00 H new ATOM 0 HB VAL A 904 2.090 4.878 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.341 4.588 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.302 5.496 2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.654 3.778 2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.744 2.833 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 904 3.058 2.024 3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.565 2.489 4.274 1.00 0.00 H new ATOM 1088 N SER A 905 1.957 2.735 6.369 1.00 0.00 N ATOM 1089 CA SER A 905 1.456 1.590 7.102 1.00 0.00 C ATOM 1090 C SER A 905 0.149 1.113 6.484 1.00 0.00 C ATOM 1091 O SER A 905 -0.222 1.549 5.397 1.00 0.00 O ATOM 1092 CB SER A 905 1.254 1.973 8.565 1.00 0.00 C ATOM 1093 OG SER A 905 1.850 0.998 9.392 1.00 0.00 O ATOM 0 H SER A 905 1.274 3.481 6.237 1.00 0.00 H new ATOM 0 HA SER A 905 2.178 0.775 7.049 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.695 2.950 8.761 1.00 0.00 H new ATOM 0 HB3 SER A 905 0.190 2.053 8.788 1.00 0.00 H new ATOM 0 HG SER A 905 1.361 0.945 10.240 1.00 0.00 H new ATOM 1099 N PRO A 906 -0.549 0.215 7.182 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.812 -0.349 6.755 1.00 0.00 C ATOM 1101 C PRO A 906 -2.907 0.701 6.876 1.00 0.00 C ATOM 1102 O PRO A 906 -3.890 0.663 6.140 1.00 0.00 O ATOM 1103 CB PRO A 906 -2.063 -1.515 7.708 1.00 0.00 C ATOM 1104 CG PRO A 906 -1.370 -1.058 8.991 1.00 0.00 C ATOM 1105 CD PRO A 906 -0.142 -0.319 8.464 1.00 0.00 C ATOM 0 HA PRO A 906 -1.800 -0.678 5.716 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -3.128 -1.689 7.863 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -1.640 -2.445 7.329 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -2.010 -0.407 9.587 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -1.094 -1.901 9.625 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.162 0.476 9.144 1.00 0.00 H new ATOM 0 HD3 PRO A 906 0.709 -0.992 8.359 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.735 1.641 7.808 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.709 2.693 8.018 1.00 0.00 C ATOM 1115 C GLU A 907 -3.675 3.673 6.854 1.00 0.00 C ATOM 1116 O GLU A 907 -4.693 4.270 6.511 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.410 3.406 9.334 1.00 0.00 C ATOM 1118 CG GLU A 907 -3.613 2.437 10.495 1.00 0.00 C ATOM 1119 CD GLU A 907 -2.781 2.852 11.700 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -3.164 3.859 12.334 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -1.778 2.154 11.965 1.00 0.00 O ATOM 0 H GLU A 907 -1.925 1.688 8.426 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.708 2.261 8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.386 3.780 9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -4.065 4.270 9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -4.668 2.407 10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -3.335 1.429 10.186 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.498 3.838 6.244 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.342 4.742 5.123 1.00 0.00 C ATOM 1130 C TRP A 908 -3.104 4.209 3.918 1.00 0.00 C ATOM 1131 O TRP A 908 -3.810 4.957 3.246 1.00 0.00 O ATOM 1132 CB TRP A 908 -0.859 4.897 4.799 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.562 5.734 3.597 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.479 7.083 3.585 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.306 5.308 2.224 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.191 7.517 2.309 1.00 0.00 N ATOM 1137 CE2 TRP A 908 -0.074 6.462 1.427 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.246 4.064 1.570 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 0.202 6.388 0.059 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 0.030 3.979 0.197 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.254 5.135 -0.559 1.00 0.00 C ATOM 0 H TRP A 908 -1.643 3.352 6.515 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.749 5.720 5.381 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.357 5.335 5.662 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.429 3.907 4.649 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.617 7.723 4.444 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.078 8.497 2.049 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.415 3.159 2.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.373 7.288 -0.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 0.070 3.011 -0.281 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.466 5.060 -1.615 1.00 0.00 H new ATOM 1152 N ILE A 909 -2.959 2.910 3.646 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.633 2.281 2.527 1.00 0.00 C ATOM 1154 C ILE A 909 -5.133 2.515 2.632 1.00 0.00 C ATOM 1155 O ILE A 909 -5.765 2.949 1.671 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.317 0.788 2.518 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -2.101 0.531 1.632 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.516 0.018 1.972 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -1.016 -0.166 2.448 1.00 0.00 C ATOM 0 H ILE A 909 -2.376 2.277 4.194 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.282 2.718 1.592 1.00 0.00 H new ATOM 0 HB ILE A 909 -3.103 0.455 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.383 -0.087 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.723 1.472 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.291 -1.049 1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.385 0.202 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.730 0.350 0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.147 -0.350 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.727 0.468 3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.398 -1.115 2.825 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.705 2.227 3.804 1.00 0.00 N ATOM 1172 CA TRP A 910 -7.126 2.411 4.023 1.00 0.00 C ATOM 1173 C TRP A 910 -7.490 3.880 3.862 1.00 0.00 C ATOM 1174 O TRP A 910 -8.318 4.228 3.024 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.493 1.912 5.418 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.959 0.559 5.764 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -6.177 0.277 6.828 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -7.151 -0.708 5.063 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.874 -1.068 6.835 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.450 -1.724 5.766 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.846 -1.102 3.906 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -6.437 -3.057 5.346 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.840 -2.437 3.475 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -7.139 -3.415 4.191 1.00 0.00 C ATOM 0 H TRP A 910 -5.198 1.865 4.612 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.688 1.837 3.286 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -7.127 2.630 6.152 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.579 1.891 5.506 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -5.840 0.995 7.561 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -5.296 -1.522 7.542 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -8.394 -0.364 3.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.891 -3.801 5.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -8.381 -2.713 2.582 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -7.141 -4.441 3.853 1.00 0.00 H new ATOM 1195 N ALA A 911 -6.867 4.741 4.669 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.127 6.166 4.614 1.00 0.00 C ATOM 1197 C ALA A 911 -6.903 6.676 3.198 1.00 0.00 C ATOM 1198 O ALA A 911 -7.577 7.604 2.756 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.214 6.888 5.601 1.00 0.00 C ATOM 0 H ALA A 911 -6.177 4.467 5.369 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.163 6.362 4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.409 7.960 5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.407 6.522 6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.173 6.698 5.339 1.00 0.00 H new ATOM 1205 N CYS A 912 -5.951 6.067 2.487 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.639 6.457 1.127 1.00 0.00 C ATOM 1207 C CYS A 912 -6.770 6.030 0.202 1.00 0.00 C ATOM 1208 O CYS A 912 -7.567 6.860 -0.230 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.321 5.815 0.704 1.00 0.00 C ATOM 1210 SG CYS A 912 -2.977 6.563 1.659 1.00 0.00 S ATOM 0 H CYS A 912 -5.384 5.297 2.842 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.533 7.540 1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -4.353 4.739 0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.154 5.963 -0.363 1.00 0.00 H new ATOM 0 HG CYS A 912 -1.835 6.239 1.129 1.00 0.00 H new ATOM 1216 N ILE A 913 -6.839 4.732 -0.103 1.00 0.00 N ATOM 1217 CA ILE A 913 -7.870 4.202 -0.972 1.00 0.00 C ATOM 1218 C ILE A 913 -9.220 4.791 -0.588 1.00 0.00 C ATOM 1219 O ILE A 913 -10.019 5.133 -1.457 1.00 0.00 O ATOM 1220 CB ILE A 913 -7.893 2.680 -0.864 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -9.100 2.134 -1.620 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -7.987 2.276 0.605 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -9.074 0.608 -1.588 1.00 0.00 C ATOM 0 H ILE A 913 -6.184 4.032 0.246 1.00 0.00 H new ATOM 0 HA ILE A 913 -7.657 4.476 -2.005 1.00 0.00 H new ATOM 0 HB ILE A 913 -6.979 2.271 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -10.022 2.502 -1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -9.087 2.487 -2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -8.004 1.189 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -7.124 2.666 1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -8.900 2.685 1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -9.937 0.218 -2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -8.159 0.250 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -9.108 0.265 -0.554 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.472 4.910 0.717 1.00 0.00 N ATOM 1236 CA ARG A 914 -10.721 5.456 1.208 1.00 0.00 C ATOM 1237 C ARG A 914 -10.807 6.937 0.866 1.00 0.00 C ATOM 1238 O ARG A 914 -11.900 7.479 0.717 1.00 0.00 O ATOM 1239 CB ARG A 914 -10.810 5.243 2.717 1.00 0.00 C ATOM 1240 CG ARG A 914 -12.226 5.555 3.192 1.00 0.00 C ATOM 1241 CD ARG A 914 -12.164 6.320 4.511 1.00 0.00 C ATOM 1242 NE ARG A 914 -13.291 5.969 5.375 1.00 0.00 N ATOM 1243 CZ ARG A 914 -13.609 6.669 6.473 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -12.882 7.740 6.818 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -14.653 6.296 7.226 1.00 0.00 N ATOM 0 H ARG A 914 -8.819 4.632 1.449 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.558 4.945 0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -10.550 4.214 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -10.093 5.886 3.229 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -12.751 6.146 2.441 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -12.789 4.631 3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -11.227 6.097 5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -12.172 7.392 4.314 1.00 0.00 H new ATOM 0 HE ARG A 914 -13.859 5.157 5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -12.087 8.023 6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -13.124 8.273 7.653 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -15.205 5.480 6.964 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -14.895 6.828 8.062 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.650 7.591 0.743 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.602 9.003 0.419 1.00 0.00 C ATOM 1261 C LYS A 915 -9.461 9.185 -1.085 1.00 0.00 C ATOM 1262 O LYS A 915 -9.395 10.311 -1.573 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.433 9.652 1.154 1.00 0.00 C ATOM 1264 CG LYS A 915 -8.762 9.756 2.641 1.00 0.00 C ATOM 1265 CD LYS A 915 -9.768 10.882 2.863 1.00 0.00 C ATOM 1266 CE LYS A 915 -10.367 10.762 4.261 1.00 0.00 C ATOM 1267 NZ LYS A 915 -9.690 11.665 5.205 1.00 0.00 N ATOM 0 H LYS A 915 -8.735 7.156 0.865 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.527 9.484 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.527 9.062 1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -8.236 10.643 0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.172 8.812 3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -7.854 9.948 3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -9.279 11.849 2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -10.557 10.832 2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -11.431 10.998 4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -10.280 9.733 4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -10.116 11.564 6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -8.680 11.422 5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -9.795 12.648 4.881 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.416 8.072 -1.821 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.282 8.113 -3.263 1.00 0.00 C ATOM 1283 C ARG A 916 -8.068 8.949 -3.645 1.00 0.00 C ATOM 1284 O ARG A 916 -7.838 9.210 -4.823 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.553 8.696 -3.874 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.050 7.776 -4.986 1.00 0.00 C ATOM 1287 CD ARG A 916 -10.361 8.144 -6.297 1.00 0.00 C ATOM 1288 NE ARG A 916 -10.737 9.490 -6.729 1.00 0.00 N ATOM 1289 CZ ARG A 916 -11.810 9.732 -7.494 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -12.591 8.719 -7.895 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -12.103 10.988 -7.859 1.00 0.00 N ATOM 0 H ARG A 916 -9.471 7.131 -1.431 1.00 0.00 H new ATOM 0 HA ARG A 916 -9.139 7.103 -3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -11.320 8.806 -3.108 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.355 9.691 -4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -10.842 6.736 -4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -12.131 7.868 -5.093 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -9.280 8.088 -6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -10.631 7.422 -7.068 1.00 0.00 H new ATOM 0 HE ARG A 916 -10.158 10.277 -6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -12.369 7.763 -7.618 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -13.408 8.904 -8.477 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -11.509 11.759 -7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -12.920 11.172 -8.441 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.291 9.367 -2.643 1.00 0.00 N ATOM 1306 CA ARG A 917 -6.108 10.170 -2.878 1.00 0.00 C ATOM 1307 C ARG A 917 -5.063 9.872 -1.811 1.00 0.00 C ATOM 1308 O ARG A 917 -5.325 10.033 -0.621 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.486 11.648 -2.866 1.00 0.00 C ATOM 1310 CG ARG A 917 -6.419 12.179 -1.436 1.00 0.00 C ATOM 1311 CD ARG A 917 -4.967 12.477 -1.072 1.00 0.00 C ATOM 1312 NE ARG A 917 -4.776 13.901 -0.800 1.00 0.00 N ATOM 1313 CZ ARG A 917 -4.430 14.782 -1.749 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -4.245 14.370 -3.010 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -4.268 16.075 -1.436 1.00 0.00 N ATOM 0 H ARG A 917 -7.468 9.157 -1.661 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.685 9.925 -3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -5.809 12.213 -3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -7.490 11.781 -3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -7.021 13.083 -1.344 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -6.836 11.446 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -4.681 11.894 -0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -4.313 12.168 -1.888 1.00 0.00 H new ATOM 0 HE ARG A 917 -4.912 14.238 0.153 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -4.367 13.386 -3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -3.982 15.040 -3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -4.408 16.389 -0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -4.005 16.745 -2.158 1.00 0.00 H new ATOM 1329 N LEU A 918 -3.876 9.438 -2.240 1.00 0.00 N ATOM 1330 CA LEU A 918 -2.800 9.121 -1.323 1.00 0.00 C ATOM 1331 C LEU A 918 -2.711 10.189 -0.242 1.00 0.00 C ATOM 1332 O LEU A 918 -2.502 11.363 -0.542 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.487 9.023 -2.094 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.455 7.714 -2.878 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -2.342 6.684 -2.185 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -1.967 7.957 -4.295 1.00 0.00 C ATOM 0 H LEU A 918 -3.643 9.300 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 918 -2.997 8.162 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.388 9.869 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.644 9.067 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.432 7.341 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -2.319 5.749 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -1.976 6.510 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -3.366 7.056 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -1.944 7.022 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -2.990 8.330 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -1.333 8.692 -4.790 1.00 0.00 H new ATOM 1348 N VAL A 919 -2.871 9.780 1.018 1.00 0.00 N ATOM 1349 CA VAL A 919 -2.808 10.700 2.136 1.00 0.00 C ATOM 1350 C VAL A 919 -1.391 10.742 2.689 1.00 0.00 C ATOM 1351 O VAL A 919 -0.451 10.304 2.029 1.00 0.00 O ATOM 1352 CB VAL A 919 -3.797 10.261 3.212 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -4.868 9.372 2.586 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -3.056 9.480 4.294 1.00 0.00 C ATOM 0 H VAL A 919 -3.046 8.810 1.282 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.076 11.703 1.803 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.267 11.139 3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.575 9.058 3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.397 9.929 1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.399 8.493 2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -3.761 9.166 5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.586 8.601 3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.290 10.114 4.741 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.239 11.271 3.906 1.00 0.00 N ATOM 1365 CA ALA A 920 0.060 11.368 4.541 1.00 0.00 C ATOM 1366 C ALA A 920 0.550 9.979 4.925 1.00 0.00 C ATOM 1367 O ALA A 920 -0.040 9.326 5.782 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.042 12.266 5.770 1.00 0.00 C ATOM 0 H ALA A 920 -2.009 11.638 4.466 1.00 0.00 H new ATOM 0 HA ALA A 920 0.778 11.806 3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.934 12.340 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.374 13.259 5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -0.759 11.841 6.472 1.00 0.00 H new ATOM 1374 N PRO A 921 1.634 9.530 4.289 1.00 0.00 N ATOM 1375 CA PRO A 921 2.242 8.238 4.524 1.00 0.00 C ATOM 1376 C PRO A 921 2.949 8.244 5.872 1.00 0.00 C ATOM 1377 O PRO A 921 3.720 9.155 6.166 1.00 0.00 O ATOM 1378 CB PRO A 921 3.240 8.060 3.383 1.00 0.00 C ATOM 1379 CG PRO A 921 3.653 9.498 3.068 1.00 0.00 C ATOM 1380 CD PRO A 921 2.353 10.272 3.276 1.00 0.00 C ATOM 0 HA PRO A 921 1.515 7.426 4.549 1.00 0.00 H new ATOM 0 HB2 PRO A 921 4.093 7.451 3.683 1.00 0.00 H new ATOM 0 HB3 PRO A 921 2.786 7.571 2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.443 9.847 3.732 1.00 0.00 H new ATOM 0 HG3 PRO A 921 4.026 9.599 2.049 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.550 11.294 3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.779 10.336 2.351 1.00 0.00 H new ATOM 1388 N CYS A 922 2.683 7.224 6.691 1.00 0.00 N ATOM 1389 CA CYS A 922 3.290 7.113 8.002 1.00 0.00 C ATOM 1390 C CYS A 922 3.044 5.719 8.561 1.00 0.00 C ATOM 1391 O CYS A 922 3.675 5.321 9.538 1.00 0.00 O ATOM 1392 CB CYS A 922 2.706 8.179 8.925 1.00 0.00 C ATOM 1393 SG CYS A 922 0.913 8.236 8.685 1.00 0.00 S ATOM 0 H CYS A 922 2.045 6.462 6.459 1.00 0.00 H new ATOM 0 HA CYS A 922 4.366 7.270 7.927 1.00 0.00 H new ATOM 0 HB2 CYS A 922 2.941 7.949 9.964 1.00 0.00 H new ATOM 0 HB3 CYS A 922 3.148 9.151 8.706 1.00 0.00 H new ATOM 0 HG CYS A 922 0.648 8.707 7.503 1.00 0.00 H new TER 1399 CYS A 922