USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 526 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 Set 1.1: A 39 THR OG1 : rot -96:sc= -0.805 USER MOD Set 1.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -153:sc= -0.0403 (180deg=-0.949) USER MOD Set 2.2: A 18 THR OG1 : rot -170:sc= 0.0714 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.423 (180deg=0.403) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -145:sc= 0.23 USER MOD Single : A 11 LYS NZ :NH3+ 157:sc=-0.000941 (180deg=-0.554) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 57:sc= 0.568 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -1.17 K(o=-1.2,f=0.18) USER MOD Single : A 30 SER OG : rot 75:sc= 1.34 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= 1.23 (180deg=1.06) USER MOD Single : A 44 GLN : amide:sc= -4.21! C(o=-4.2!,f=-3.3!) USER MOD Single : A 51 GLN : amide:sc= -0.0221 X(o=-0.022,f=-0.38) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -4.32 K(o=-4.3,f=-7.9!) USER MOD Single : A 61 HIS : no HD1:sc= -0.0284 X(o=-0.028,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.961 -5.033 -8.705 1.00 0.00 N ATOM 2 CA MET A 1 -3.046 -3.637 -9.213 1.00 0.00 C ATOM 3 C MET A 1 -3.917 -2.750 -8.314 1.00 0.00 C ATOM 4 O MET A 1 -3.900 -1.535 -8.453 1.00 0.00 O ATOM 5 CB MET A 1 -3.620 -3.672 -10.629 1.00 0.00 C ATOM 6 CG MET A 1 -2.691 -4.314 -11.646 1.00 0.00 C ATOM 7 SD MET A 1 -1.191 -3.351 -11.921 1.00 0.00 S ATOM 8 CE MET A 1 -1.124 -3.330 -13.710 1.00 0.00 C ATOM 0 H1 MET A 1 -2.350 -5.594 -9.332 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.562 -5.029 -7.745 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.912 -5.453 -8.683 1.00 0.00 H new ATOM 0 HA MET A 1 -2.045 -3.205 -9.214 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.564 -4.217 -10.616 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.845 -2.654 -10.946 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.419 -5.313 -11.305 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.220 -4.433 -12.591 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.247 -2.769 -14.035 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.060 -4.352 -14.084 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.024 -2.856 -14.102 1.00 0.00 H new ATOM 20 N ARG A 2 -4.689 -3.371 -7.417 1.00 0.00 N ATOM 21 CA ARG A 2 -5.582 -2.664 -6.510 1.00 0.00 C ATOM 22 C ARG A 2 -5.976 -3.547 -5.327 1.00 0.00 C ATOM 23 O ARG A 2 -6.264 -4.739 -5.470 1.00 0.00 O ATOM 24 CB ARG A 2 -6.780 -2.151 -7.304 1.00 0.00 C ATOM 25 CG ARG A 2 -8.123 -2.428 -6.690 1.00 0.00 C ATOM 26 CD ARG A 2 -9.191 -1.557 -7.307 1.00 0.00 C ATOM 27 NE ARG A 2 -10.539 -2.055 -7.038 1.00 0.00 N ATOM 28 CZ ARG A 2 -11.643 -1.572 -7.608 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.572 -0.572 -8.481 1.00 0.00 N ATOM 30 NH2 ARG A 2 -12.825 -2.092 -7.305 1.00 0.00 N ATOM 0 H ARG A 2 -4.708 -4.384 -7.304 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.074 -1.804 -6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.674 -1.074 -7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.754 -2.597 -8.298 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.380 -3.478 -6.829 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.079 -2.250 -5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.097 -0.542 -6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.035 -1.503 -8.384 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.641 -2.821 -6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.667 -0.167 -8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.423 -0.210 -8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.888 -2.860 -6.637 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.671 -1.724 -7.740 1.00 0.00 H new ATOM 44 N GLY A 3 -6.000 -2.929 -4.167 1.00 0.00 N ATOM 45 CA GLY A 3 -6.376 -3.631 -2.960 1.00 0.00 C ATOM 46 C GLY A 3 -7.235 -2.818 -2.036 1.00 0.00 C ATOM 47 O GLY A 3 -8.326 -2.383 -2.395 1.00 0.00 O ATOM 0 H GLY A 3 -5.765 -1.946 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.909 -4.542 -3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -5.473 -3.935 -2.430 1.00 0.00 H new ATOM 51 N LYS A 4 -6.716 -2.629 -0.834 1.00 0.00 N ATOM 52 CA LYS A 4 -7.379 -1.878 0.204 1.00 0.00 C ATOM 53 C LYS A 4 -6.353 -1.415 1.192 1.00 0.00 C ATOM 54 O LYS A 4 -5.236 -1.888 1.172 1.00 0.00 O ATOM 55 CB LYS A 4 -8.504 -2.729 0.848 1.00 0.00 C ATOM 56 CG LYS A 4 -8.721 -2.533 2.350 1.00 0.00 C ATOM 57 CD LYS A 4 -9.672 -3.575 2.915 1.00 0.00 C ATOM 58 CE LYS A 4 -11.102 -3.061 2.953 1.00 0.00 C ATOM 59 NZ LYS A 4 -11.994 -3.959 3.736 1.00 0.00 N ATOM 0 H LYS A 4 -5.809 -3.001 -0.554 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.866 -0.995 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.439 -2.506 0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.284 -3.781 0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.764 -2.593 2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.121 -1.536 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.625 -4.479 2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.356 -3.850 3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.117 -2.063 3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.482 -2.969 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.960 -3.573 3.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.000 -4.905 3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.647 -4.027 4.714 1.00 0.00 H new ATOM 73 N VAL A 5 -6.726 -0.507 2.067 1.00 0.00 N ATOM 74 CA VAL A 5 -5.784 -0.017 3.037 1.00 0.00 C ATOM 75 C VAL A 5 -6.324 -0.301 4.377 1.00 0.00 C ATOM 76 O VAL A 5 -7.535 -0.157 4.604 1.00 0.00 O ATOM 77 CB VAL A 5 -5.496 1.496 2.954 1.00 0.00 C ATOM 78 CG1 VAL A 5 -4.036 1.761 3.264 1.00 0.00 C ATOM 79 CG2 VAL A 5 -5.881 2.073 1.617 1.00 0.00 C ATOM 0 H VAL A 5 -7.660 -0.101 2.124 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.840 -0.522 2.832 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.113 1.997 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.840 2.831 3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.807 1.406 4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.410 1.236 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.660 3.140 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.315 1.576 0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.947 1.921 1.448 1.00 0.00 H new ATOM 89 N LYS A 6 -5.406 -0.741 5.226 1.00 0.00 N ATOM 90 CA LYS A 6 -5.734 -1.117 6.589 1.00 0.00 C ATOM 91 C LYS A 6 -4.902 -0.343 7.617 1.00 0.00 C ATOM 92 O LYS A 6 -5.393 -0.047 8.706 1.00 0.00 O ATOM 93 CB LYS A 6 -5.571 -2.628 6.759 1.00 0.00 C ATOM 94 CG LYS A 6 -4.144 -3.130 6.676 1.00 0.00 C ATOM 95 CD LYS A 6 -3.977 -4.403 7.493 1.00 0.00 C ATOM 96 CE LYS A 6 -4.421 -5.629 6.712 1.00 0.00 C ATOM 97 NZ LYS A 6 -5.902 -5.789 6.724 1.00 0.00 N ATOM 0 H LYS A 6 -4.419 -0.846 4.989 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.774 -0.851 6.776 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.987 -2.917 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.162 -3.131 5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.880 -3.321 5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.461 -2.364 7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.933 -4.515 7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.558 -4.326 8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.073 -5.549 5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.956 -6.518 7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.144 -6.794 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.281 -5.442 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.317 -5.243 5.942 1.00 0.00 H new ATOM 111 N TRP A 7 -3.657 -0.001 7.277 1.00 0.00 N ATOM 112 CA TRP A 7 -2.804 0.753 8.209 1.00 0.00 C ATOM 113 C TRP A 7 -1.766 1.613 7.481 1.00 0.00 C ATOM 114 O TRP A 7 -1.168 1.179 6.500 1.00 0.00 O ATOM 115 CB TRP A 7 -2.093 -0.202 9.173 1.00 0.00 C ATOM 116 CG TRP A 7 -3.023 -1.130 9.895 1.00 0.00 C ATOM 117 CD1 TRP A 7 -3.131 -2.478 9.717 1.00 0.00 C ATOM 118 CD2 TRP A 7 -3.970 -0.782 10.911 1.00 0.00 C ATOM 119 NE1 TRP A 7 -4.093 -2.989 10.550 1.00 0.00 N ATOM 120 CE2 TRP A 7 -4.622 -1.970 11.297 1.00 0.00 C ATOM 121 CE3 TRP A 7 -4.333 0.417 11.532 1.00 0.00 C ATOM 122 CZ2 TRP A 7 -5.615 -1.991 12.273 1.00 0.00 C ATOM 123 CZ3 TRP A 7 -5.317 0.393 12.502 1.00 0.00 C ATOM 124 CH2 TRP A 7 -5.948 -0.804 12.864 1.00 0.00 C ATOM 0 H TRP A 7 -3.221 -0.227 6.383 1.00 0.00 H new ATOM 0 HA TRP A 7 -3.459 1.422 8.767 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.365 -0.792 8.616 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -1.536 0.383 9.905 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.544 -3.059 9.021 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -4.370 -3.969 10.605 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.853 1.345 11.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.105 -2.912 12.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.604 1.313 12.989 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -6.713 -0.789 13.626 1.00 0.00 H new ATOM 135 N PHE A 8 -1.555 2.836 7.986 1.00 0.00 N ATOM 136 CA PHE A 8 -0.575 3.769 7.411 1.00 0.00 C ATOM 137 C PHE A 8 0.458 4.213 8.458 1.00 0.00 C ATOM 138 O PHE A 8 0.093 4.727 9.516 1.00 0.00 O ATOM 139 CB PHE A 8 -1.256 5.020 6.876 1.00 0.00 C ATOM 140 CG PHE A 8 -0.412 5.713 5.854 1.00 0.00 C ATOM 141 CD1 PHE A 8 0.139 4.988 4.812 1.00 0.00 C ATOM 142 CD2 PHE A 8 -0.164 7.079 5.914 1.00 0.00 C ATOM 143 CE1 PHE A 8 0.902 5.589 3.865 1.00 0.00 C ATOM 144 CE2 PHE A 8 0.609 7.692 4.949 1.00 0.00 C ATOM 145 CZ PHE A 8 1.144 6.943 3.922 1.00 0.00 C ATOM 0 H PHE A 8 -2.053 3.204 8.796 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.079 3.234 6.601 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.216 4.752 6.435 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.464 5.702 7.700 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.042 3.925 4.752 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.579 7.665 6.721 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.322 5.002 3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.794 8.755 4.998 1.00 0.00 H new ATOM 0 HZ PHE A 8 1.751 7.417 3.165 1.00 0.00 H new ATOM 155 N ASP A 9 1.735 4.050 8.147 1.00 0.00 N ATOM 156 CA ASP A 9 2.818 4.467 9.037 1.00 0.00 C ATOM 157 C ASP A 9 3.891 5.226 8.250 1.00 0.00 C ATOM 158 O ASP A 9 3.896 5.192 7.019 1.00 0.00 O ATOM 159 CB ASP A 9 3.438 3.252 9.730 1.00 0.00 C ATOM 160 CG ASP A 9 2.649 2.815 10.949 1.00 0.00 C ATOM 161 OD1 ASP A 9 1.426 2.597 10.817 1.00 0.00 O ATOM 162 OD2 ASP A 9 3.253 2.692 12.034 1.00 0.00 O ATOM 0 H ASP A 9 2.053 3.627 7.275 1.00 0.00 H new ATOM 0 HA ASP A 9 2.404 5.130 9.797 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.496 2.425 9.023 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.459 3.489 10.028 1.00 0.00 H new ATOM 167 N SER A 10 4.810 5.895 8.951 1.00 0.00 N ATOM 168 CA SER A 10 5.874 6.623 8.316 1.00 0.00 C ATOM 169 C SER A 10 5.349 7.809 7.542 1.00 0.00 C ATOM 170 O SER A 10 4.196 7.850 7.113 1.00 0.00 O ATOM 171 CB SER A 10 6.696 5.720 7.399 1.00 0.00 C ATOM 172 OG SER A 10 8.049 6.137 7.348 1.00 0.00 O ATOM 0 H SER A 10 4.824 5.938 9.970 1.00 0.00 H new ATOM 0 HA SER A 10 6.524 6.993 9.109 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.643 4.691 7.755 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.271 5.733 6.395 1.00 0.00 H new ATOM 0 HG SER A 10 8.407 5.977 6.450 1.00 0.00 H new ATOM 178 N LYS A 11 6.225 8.770 7.391 1.00 0.00 N ATOM 179 CA LYS A 11 5.915 10.008 6.687 1.00 0.00 C ATOM 180 C LYS A 11 5.662 9.759 5.199 1.00 0.00 C ATOM 181 O LYS A 11 4.904 10.498 4.570 1.00 0.00 O ATOM 182 CB LYS A 11 7.056 11.012 6.858 1.00 0.00 C ATOM 183 CG LYS A 11 6.917 11.885 8.095 1.00 0.00 C ATOM 184 CD LYS A 11 5.950 13.034 7.861 1.00 0.00 C ATOM 185 CE LYS A 11 6.667 14.266 7.332 1.00 0.00 C ATOM 186 NZ LYS A 11 6.652 14.323 5.844 1.00 0.00 N ATOM 0 H LYS A 11 7.178 8.725 7.751 1.00 0.00 H new ATOM 0 HA LYS A 11 5.003 10.417 7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.001 10.471 6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.102 11.651 5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.568 11.279 8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.894 12.281 8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.182 12.726 7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.442 13.280 8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.194 15.162 7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.698 14.265 7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.782 15.307 5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.423 13.736 5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.741 13.966 5.492 1.00 0.00 H new ATOM 200 N LYS A 12 6.261 8.707 4.635 1.00 0.00 N ATOM 201 CA LYS A 12 6.040 8.385 3.236 1.00 0.00 C ATOM 202 C LYS A 12 4.912 7.349 3.148 1.00 0.00 C ATOM 203 O LYS A 12 3.832 7.614 3.667 1.00 0.00 O ATOM 204 CB LYS A 12 7.341 7.924 2.565 1.00 0.00 C ATOM 205 CG LYS A 12 8.546 8.777 2.929 1.00 0.00 C ATOM 206 CD LYS A 12 8.324 10.236 2.567 1.00 0.00 C ATOM 207 CE LYS A 12 9.594 10.876 2.030 1.00 0.00 C ATOM 208 NZ LYS A 12 9.309 12.134 1.286 1.00 0.00 N ATOM 0 H LYS A 12 6.894 8.075 5.124 1.00 0.00 H new ATOM 0 HA LYS A 12 5.729 9.272 2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.539 6.890 2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.208 7.940 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.744 8.692 3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.429 8.402 2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.534 10.310 1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.984 10.783 3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.271 11.089 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.105 10.173 1.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.200 12.540 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.683 11.927 0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.844 12.815 1.920 1.00 0.00 H new ATOM 222 N GLY A 13 5.118 6.185 2.507 1.00 0.00 N ATOM 223 CA GLY A 13 4.026 5.215 2.420 1.00 0.00 C ATOM 224 C GLY A 13 4.271 3.902 3.159 1.00 0.00 C ATOM 225 O GLY A 13 4.580 2.907 2.527 1.00 0.00 O ATOM 0 H GLY A 13 5.992 5.906 2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.120 5.674 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.839 4.994 1.369 1.00 0.00 H new ATOM 229 N TYR A 14 4.144 3.875 4.470 1.00 0.00 N ATOM 230 CA TYR A 14 4.383 2.648 5.221 1.00 0.00 C ATOM 231 C TYR A 14 3.073 2.122 5.764 1.00 0.00 C ATOM 232 O TYR A 14 2.121 2.880 5.930 1.00 0.00 O ATOM 233 CB TYR A 14 5.343 2.928 6.382 1.00 0.00 C ATOM 234 CG TYR A 14 6.288 1.795 6.724 1.00 0.00 C ATOM 235 CD1 TYR A 14 5.831 0.629 7.327 1.00 0.00 C ATOM 236 CD2 TYR A 14 7.644 1.903 6.453 1.00 0.00 C ATOM 237 CE1 TYR A 14 6.702 -0.396 7.646 1.00 0.00 C ATOM 238 CE2 TYR A 14 8.519 0.882 6.767 1.00 0.00 C ATOM 239 CZ TYR A 14 8.045 -0.264 7.363 1.00 0.00 C ATOM 240 OH TYR A 14 8.918 -1.280 7.677 1.00 0.00 O ATOM 0 H TYR A 14 3.879 4.679 5.039 1.00 0.00 H new ATOM 0 HA TYR A 14 4.827 1.904 4.559 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.933 3.812 6.139 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.756 3.170 7.268 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.780 0.522 7.550 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.022 2.802 5.988 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.332 -1.296 8.115 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.571 0.983 6.546 1.00 0.00 H new ATOM 0 HH TYR A 14 8.628 -2.108 7.240 1.00 0.00 H new ATOM 250 N GLY A 15 3.021 0.831 6.037 1.00 0.00 N ATOM 251 CA GLY A 15 1.798 0.260 6.575 1.00 0.00 C ATOM 252 C GLY A 15 1.466 -1.130 6.107 1.00 0.00 C ATOM 253 O GLY A 15 2.343 -1.943 5.816 1.00 0.00 O ATOM 0 H GLY A 15 3.788 0.173 5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.871 0.249 7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.968 0.918 6.318 1.00 0.00 H new ATOM 257 N PHE A 16 0.162 -1.381 6.039 1.00 0.00 N ATOM 258 CA PHE A 16 -0.365 -2.646 5.606 1.00 0.00 C ATOM 259 C PHE A 16 -1.470 -2.413 4.605 1.00 0.00 C ATOM 260 O PHE A 16 -2.241 -1.451 4.717 1.00 0.00 O ATOM 261 CB PHE A 16 -0.942 -3.439 6.762 1.00 0.00 C ATOM 262 CG PHE A 16 0.079 -4.175 7.580 1.00 0.00 C ATOM 263 CD1 PHE A 16 1.052 -3.482 8.282 1.00 0.00 C ATOM 264 CD2 PHE A 16 0.062 -5.558 7.652 1.00 0.00 C ATOM 265 CE1 PHE A 16 1.991 -4.157 9.039 1.00 0.00 C ATOM 266 CE2 PHE A 16 0.998 -6.238 8.407 1.00 0.00 C ATOM 267 CZ PHE A 16 1.964 -5.537 9.102 1.00 0.00 C ATOM 0 H PHE A 16 -0.554 -0.699 6.287 1.00 0.00 H new ATOM 0 HA PHE A 16 0.457 -3.210 5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.491 -2.760 7.414 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.662 -4.157 6.370 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.077 -2.403 8.237 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.692 -6.111 7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.745 -3.606 9.581 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.974 -7.317 8.454 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.697 -6.066 9.693 1.00 0.00 H new ATOM 277 N ILE A 17 -1.536 -3.281 3.624 1.00 0.00 N ATOM 278 CA ILE A 17 -2.527 -3.162 2.580 1.00 0.00 C ATOM 279 C ILE A 17 -3.263 -4.478 2.378 1.00 0.00 C ATOM 280 O ILE A 17 -2.720 -5.516 2.661 1.00 0.00 O ATOM 281 CB ILE A 17 -1.840 -2.809 1.239 1.00 0.00 C ATOM 282 CG1 ILE A 17 -0.690 -1.813 1.455 1.00 0.00 C ATOM 283 CG2 ILE A 17 -2.861 -2.352 0.188 1.00 0.00 C ATOM 284 CD1 ILE A 17 -0.833 -0.484 0.815 1.00 0.00 C ATOM 0 H ILE A 17 -0.912 -4.082 3.526 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.227 -2.382 2.880 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.386 -3.713 0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.567 -1.663 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.229 -2.270 1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.344 -2.112 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.580 -3.151 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.385 -1.468 0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.042 0.125 1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.919 -0.607 -0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.727 0.009 1.196 1.00 0.00 H new ATOM 296 N THR A 18 -4.479 -4.450 1.847 1.00 0.00 N ATOM 297 CA THR A 18 -5.202 -5.702 1.589 1.00 0.00 C ATOM 298 C THR A 18 -5.564 -5.816 0.119 1.00 0.00 C ATOM 299 O THR A 18 -6.334 -5.024 -0.401 1.00 0.00 O ATOM 300 CB THR A 18 -6.473 -5.822 2.436 1.00 0.00 C ATOM 301 OG1 THR A 18 -6.163 -5.774 3.816 1.00 0.00 O ATOM 302 CG2 THR A 18 -7.246 -7.112 2.179 1.00 0.00 C ATOM 0 H THR A 18 -4.981 -3.600 1.590 1.00 0.00 H new ATOM 0 HA THR A 18 -4.532 -6.515 1.868 1.00 0.00 H new ATOM 0 HB THR A 18 -7.097 -4.978 2.144 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.958 -6.009 4.338 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.135 -7.135 2.810 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.543 -7.155 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.613 -7.968 2.412 1.00 0.00 H new ATOM 310 N LYS A 19 -5.013 -6.821 -0.549 1.00 0.00 N ATOM 311 CA LYS A 19 -5.301 -7.013 -1.967 1.00 0.00 C ATOM 312 C LYS A 19 -6.768 -7.371 -2.150 1.00 0.00 C ATOM 313 O LYS A 19 -7.353 -8.028 -1.290 1.00 0.00 O ATOM 314 CB LYS A 19 -4.415 -8.108 -2.558 1.00 0.00 C ATOM 315 CG LYS A 19 -4.569 -9.448 -1.865 1.00 0.00 C ATOM 316 CD LYS A 19 -3.927 -10.569 -2.669 1.00 0.00 C ATOM 317 CE LYS A 19 -2.411 -10.519 -2.581 1.00 0.00 C ATOM 318 NZ LYS A 19 -1.886 -11.411 -1.511 1.00 0.00 N ATOM 0 H LYS A 19 -4.375 -7.505 -0.142 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.089 -6.082 -2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.652 -8.225 -3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.373 -7.794 -2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.114 -9.402 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.627 -9.664 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.282 -11.532 -2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.235 -10.493 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.982 -10.811 -3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.092 -9.495 -2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.848 -11.348 -1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.275 -11.117 -0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.168 -12.393 -1.708 1.00 0.00 H new ATOM 332 N ASP A 20 -7.348 -6.896 -3.271 1.00 0.00 N ATOM 333 CA ASP A 20 -8.772 -7.097 -3.638 1.00 0.00 C ATOM 334 C ASP A 20 -9.535 -8.058 -2.698 1.00 0.00 C ATOM 335 O ASP A 20 -10.060 -7.630 -1.671 1.00 0.00 O ATOM 336 CB ASP A 20 -8.866 -7.556 -5.102 1.00 0.00 C ATOM 337 CG ASP A 20 -10.297 -7.771 -5.561 1.00 0.00 C ATOM 338 OD1 ASP A 20 -11.171 -6.966 -5.178 1.00 0.00 O ATOM 339 OD2 ASP A 20 -10.542 -8.746 -6.302 1.00 0.00 O ATOM 0 H ASP A 20 -6.833 -6.351 -3.962 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.269 -6.134 -3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.392 -6.812 -5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.307 -8.484 -5.224 1.00 0.00 H new ATOM 344 N GLU A 21 -9.582 -9.343 -3.039 1.00 0.00 N ATOM 345 CA GLU A 21 -10.265 -10.329 -2.206 1.00 0.00 C ATOM 346 C GLU A 21 -9.272 -11.338 -1.646 1.00 0.00 C ATOM 347 O GLU A 21 -9.603 -12.510 -1.456 1.00 0.00 O ATOM 348 CB GLU A 21 -11.327 -11.055 -3.021 1.00 0.00 C ATOM 349 CG GLU A 21 -12.666 -10.337 -3.060 1.00 0.00 C ATOM 350 CD GLU A 21 -13.816 -11.266 -3.398 1.00 0.00 C ATOM 351 OE1 GLU A 21 -14.224 -12.050 -2.517 1.00 0.00 O ATOM 352 OE2 GLU A 21 -14.308 -11.208 -4.544 1.00 0.00 O ATOM 0 H GLU A 21 -9.157 -9.725 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.740 -9.807 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.964 -11.184 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.472 -12.052 -2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.853 -9.871 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.623 -9.535 -3.797 1.00 0.00 H new ATOM 359 N GLY A 22 -8.047 -10.887 -1.417 1.00 0.00 N ATOM 360 CA GLY A 22 -7.014 -11.777 -0.922 1.00 0.00 C ATOM 361 C GLY A 22 -6.739 -11.667 0.569 1.00 0.00 C ATOM 362 O GLY A 22 -7.543 -12.097 1.396 1.00 0.00 O ATOM 0 H GLY A 22 -7.749 -9.923 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.299 -12.804 -1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.090 -11.575 -1.464 1.00 0.00 H new ATOM 366 N GLY A 23 -5.580 -11.106 0.901 1.00 0.00 N ATOM 367 CA GLY A 23 -5.170 -10.957 2.282 1.00 0.00 C ATOM 368 C GLY A 23 -4.612 -9.584 2.557 1.00 0.00 C ATOM 369 O GLY A 23 -5.045 -8.611 1.961 1.00 0.00 O ATOM 0 H GLY A 23 -4.908 -10.747 0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.023 -11.140 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.418 -11.709 2.521 1.00 0.00 H new ATOM 373 N ASP A 24 -3.625 -9.503 3.441 1.00 0.00 N ATOM 374 CA ASP A 24 -3.017 -8.221 3.776 1.00 0.00 C ATOM 375 C ASP A 24 -1.542 -8.188 3.405 1.00 0.00 C ATOM 376 O ASP A 24 -0.913 -9.223 3.179 1.00 0.00 O ATOM 377 CB ASP A 24 -3.179 -7.937 5.269 1.00 0.00 C ATOM 378 CG ASP A 24 -2.570 -9.023 6.134 1.00 0.00 C ATOM 379 OD1 ASP A 24 -1.397 -9.383 5.899 1.00 0.00 O ATOM 380 OD2 ASP A 24 -3.266 -9.515 7.047 1.00 0.00 O ATOM 0 H ASP A 24 -3.231 -10.303 3.936 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.529 -7.451 3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.711 -6.982 5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.239 -7.840 5.505 1.00 0.00 H new ATOM 385 N VAL A 25 -1.012 -6.976 3.321 1.00 0.00 N ATOM 386 CA VAL A 25 0.363 -6.750 2.954 1.00 0.00 C ATOM 387 C VAL A 25 1.076 -5.899 3.975 1.00 0.00 C ATOM 388 O VAL A 25 0.502 -5.416 4.950 1.00 0.00 O ATOM 389 CB VAL A 25 0.507 -6.113 1.513 1.00 0.00 C ATOM 390 CG1 VAL A 25 0.864 -4.598 1.496 1.00 0.00 C ATOM 391 CG2 VAL A 25 1.574 -6.863 0.751 1.00 0.00 C ATOM 0 H VAL A 25 -1.535 -6.121 3.509 1.00 0.00 H new ATOM 0 HA VAL A 25 0.836 -7.732 2.929 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.477 -6.199 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.941 -4.254 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.085 -4.035 2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.817 -4.443 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.681 -6.432 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.522 -6.788 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.289 -7.912 0.663 1.00 0.00 H new ATOM 401 N PHE A 26 2.329 -5.707 3.670 1.00 0.00 N ATOM 402 CA PHE A 26 3.229 -4.914 4.441 1.00 0.00 C ATOM 403 C PHE A 26 3.908 -3.988 3.467 1.00 0.00 C ATOM 404 O PHE A 26 4.375 -4.435 2.429 1.00 0.00 O ATOM 405 CB PHE A 26 4.249 -5.808 5.127 1.00 0.00 C ATOM 406 CG PHE A 26 5.218 -5.048 5.970 1.00 0.00 C ATOM 407 CD1 PHE A 26 4.877 -4.672 7.252 1.00 0.00 C ATOM 408 CD2 PHE A 26 6.463 -4.708 5.476 1.00 0.00 C ATOM 409 CE1 PHE A 26 5.760 -3.966 8.036 1.00 0.00 C ATOM 410 CE2 PHE A 26 7.356 -4.000 6.255 1.00 0.00 C ATOM 411 CZ PHE A 26 7.004 -3.629 7.539 1.00 0.00 C ATOM 0 H PHE A 26 2.763 -6.118 2.843 1.00 0.00 H new ATOM 0 HA PHE A 26 2.710 -4.354 5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.727 -6.535 5.749 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.797 -6.371 4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.906 -4.935 7.645 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.739 -4.998 4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.481 -3.676 9.038 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.327 -3.737 5.862 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.700 -3.077 8.153 1.00 0.00 H new ATOM 421 N VAL A 27 3.898 -2.699 3.752 1.00 0.00 N ATOM 422 CA VAL A 27 4.464 -1.724 2.827 1.00 0.00 C ATOM 423 C VAL A 27 5.591 -0.923 3.513 1.00 0.00 C ATOM 424 O VAL A 27 5.559 -0.704 4.726 1.00 0.00 O ATOM 425 CB VAL A 27 3.333 -0.873 2.156 1.00 0.00 C ATOM 426 CG1 VAL A 27 1.948 -1.298 2.629 1.00 0.00 C ATOM 427 CG2 VAL A 27 3.518 0.608 2.319 1.00 0.00 C ATOM 0 H VAL A 27 3.509 -2.302 4.607 1.00 0.00 H new ATOM 0 HA VAL A 27 4.951 -2.229 1.993 1.00 0.00 H new ATOM 0 HB VAL A 27 3.413 -1.080 1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.192 -0.683 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.783 -2.345 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.877 -1.170 3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.698 1.133 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.528 0.859 3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.463 0.909 1.866 1.00 0.00 H new ATOM 437 N HIS A 28 6.633 -0.596 2.738 1.00 0.00 N ATOM 438 CA HIS A 28 7.843 0.054 3.273 1.00 0.00 C ATOM 439 C HIS A 28 7.887 1.587 3.255 1.00 0.00 C ATOM 440 O HIS A 28 8.706 2.150 3.975 1.00 0.00 O ATOM 441 CB HIS A 28 9.059 -0.470 2.513 1.00 0.00 C ATOM 442 CG HIS A 28 10.305 -0.535 3.340 1.00 0.00 C ATOM 443 ND1 HIS A 28 10.934 -1.719 3.662 1.00 0.00 N ATOM 444 CD2 HIS A 28 11.044 0.447 3.913 1.00 0.00 C ATOM 445 CE1 HIS A 28 12.002 -1.464 4.398 1.00 0.00 C ATOM 446 NE2 HIS A 28 12.091 -0.157 4.562 1.00 0.00 N ATOM 0 H HIS A 28 6.665 -0.771 1.734 1.00 0.00 H new ATOM 0 HA HIS A 28 7.838 -0.207 4.331 1.00 0.00 H new ATOM 0 HB2 HIS A 28 8.835 -1.466 2.130 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.240 0.170 1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.845 1.508 3.867 1.00 0.00 H new ATOM 0 HE1 HIS A 28 12.685 -2.199 4.797 1.00 0.00 H new ATOM 0 HE2 HIS A 28 12.820 0.326 5.087 1.00 0.00 H new ATOM 455 N TRP A 29 7.096 2.254 2.398 1.00 0.00 N ATOM 456 CA TRP A 29 7.105 3.730 2.248 1.00 0.00 C ATOM 457 C TRP A 29 7.828 4.141 1.000 1.00 0.00 C ATOM 458 O TRP A 29 7.988 5.336 0.746 1.00 0.00 O ATOM 459 CB TRP A 29 7.579 4.483 3.527 1.00 0.00 C ATOM 460 CG TRP A 29 9.011 4.981 3.542 1.00 0.00 C ATOM 461 CD1 TRP A 29 9.455 6.103 4.185 1.00 0.00 C ATOM 462 CD2 TRP A 29 10.177 4.395 2.923 1.00 0.00 C ATOM 463 NE1 TRP A 29 10.804 6.260 3.999 1.00 0.00 N ATOM 464 CE2 TRP A 29 11.273 5.229 3.234 1.00 0.00 C ATOM 465 CE3 TRP A 29 10.413 3.258 2.138 1.00 0.00 C ATOM 466 CZ2 TRP A 29 12.566 4.963 2.791 1.00 0.00 C ATOM 467 CZ3 TRP A 29 11.698 2.998 1.702 1.00 0.00 C ATOM 468 CH2 TRP A 29 12.760 3.846 2.030 1.00 0.00 C ATOM 0 H TRP A 29 6.427 1.788 1.784 1.00 0.00 H new ATOM 0 HA TRP A 29 6.069 4.046 2.129 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.921 5.339 3.680 1.00 0.00 H new ATOM 0 HB3 TRP A 29 7.442 3.820 4.381 1.00 0.00 H new ATOM 0 HD1 TRP A 29 8.831 6.772 4.759 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.368 7.024 4.372 1.00 0.00 H new ATOM 0 HE3 TRP A 29 9.602 2.594 1.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 13.388 5.618 3.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 11.886 2.124 1.097 1.00 0.00 H new ATOM 0 HH2 TRP A 29 13.753 3.613 1.675 1.00 0.00 H new ATOM 479 N SER A 30 8.130 3.136 0.172 1.00 0.00 N ATOM 480 CA SER A 30 8.712 3.337 -1.115 1.00 0.00 C ATOM 481 C SER A 30 7.767 2.737 -2.165 1.00 0.00 C ATOM 482 O SER A 30 8.147 2.501 -3.313 1.00 0.00 O ATOM 483 CB SER A 30 10.103 2.704 -1.204 1.00 0.00 C ATOM 484 OG SER A 30 11.118 3.667 -0.976 1.00 0.00 O ATOM 0 H SER A 30 7.966 2.155 0.400 1.00 0.00 H new ATOM 0 HA SER A 30 8.842 4.404 -1.295 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.188 1.901 -0.472 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.239 2.254 -2.187 1.00 0.00 H new ATOM 0 HG SER A 30 11.163 3.875 -0.019 1.00 0.00 H new ATOM 490 N ALA A 31 6.508 2.524 -1.740 1.00 0.00 N ATOM 491 CA ALA A 31 5.455 1.995 -2.580 1.00 0.00 C ATOM 492 C ALA A 31 4.282 2.979 -2.579 1.00 0.00 C ATOM 493 O ALA A 31 3.593 3.118 -3.584 1.00 0.00 O ATOM 494 CB ALA A 31 5.019 0.625 -2.089 1.00 0.00 C ATOM 0 H ALA A 31 6.205 2.722 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 31 5.822 1.875 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.227 0.243 -2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.868 -0.058 -2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.649 0.706 -1.067 1.00 0.00 H new ATOM 500 N ILE A 32 4.113 3.723 -1.467 1.00 0.00 N ATOM 501 CA ILE A 32 3.073 4.740 -1.374 1.00 0.00 C ATOM 502 C ILE A 32 3.740 6.087 -1.235 1.00 0.00 C ATOM 503 O ILE A 32 3.567 6.835 -0.272 1.00 0.00 O ATOM 504 CB ILE A 32 2.064 4.569 -0.212 1.00 0.00 C ATOM 505 CG1 ILE A 32 2.134 3.165 0.419 1.00 0.00 C ATOM 506 CG2 ILE A 32 0.693 4.899 -0.763 1.00 0.00 C ATOM 507 CD1 ILE A 32 1.054 2.895 1.461 1.00 0.00 C ATOM 0 H ILE A 32 4.687 3.631 -0.629 1.00 0.00 H new ATOM 0 HA ILE A 32 2.483 4.641 -2.285 1.00 0.00 H new ATOM 0 HB ILE A 32 2.306 5.246 0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.055 2.419 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.112 3.036 0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.052 4.791 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.686 5.925 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.456 4.219 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.174 1.886 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.144 3.616 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.071 2.990 0.999 1.00 0.00 H new ATOM 519 N GLU A 33 4.517 6.353 -2.243 1.00 0.00 N ATOM 520 CA GLU A 33 5.275 7.573 -2.354 1.00 0.00 C ATOM 521 C GLU A 33 4.960 8.273 -3.679 1.00 0.00 C ATOM 522 O GLU A 33 5.644 8.058 -4.681 1.00 0.00 O ATOM 523 CB GLU A 33 6.776 7.241 -2.202 1.00 0.00 C ATOM 524 CG GLU A 33 7.729 8.163 -2.944 1.00 0.00 C ATOM 525 CD GLU A 33 9.135 8.138 -2.376 1.00 0.00 C ATOM 526 OE1 GLU A 33 9.281 8.312 -1.148 1.00 0.00 O ATOM 527 OE2 GLU A 33 10.088 7.943 -3.158 1.00 0.00 O ATOM 0 H GLU A 33 4.647 5.717 -3.030 1.00 0.00 H new ATOM 0 HA GLU A 33 4.999 8.268 -1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.029 7.262 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.941 6.221 -2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.762 7.875 -3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.345 9.182 -2.905 1.00 0.00 H new ATOM 534 N MET A 34 3.929 9.110 -3.686 1.00 0.00 N ATOM 535 CA MET A 34 3.559 9.830 -4.907 1.00 0.00 C ATOM 536 C MET A 34 3.631 11.340 -4.683 1.00 0.00 C ATOM 537 O MET A 34 3.774 11.800 -3.551 1.00 0.00 O ATOM 538 CB MET A 34 2.153 9.435 -5.361 1.00 0.00 C ATOM 539 CG MET A 34 1.956 9.517 -6.869 1.00 0.00 C ATOM 540 SD MET A 34 1.568 7.922 -7.620 1.00 0.00 S ATOM 541 CE MET A 34 1.756 8.312 -9.358 1.00 0.00 C ATOM 0 H MET A 34 3.341 9.307 -2.877 1.00 0.00 H new ATOM 0 HA MET A 34 4.268 9.557 -5.689 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.946 8.417 -5.030 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.426 10.084 -4.872 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.152 10.220 -7.087 1.00 0.00 H new ATOM 0 HG3 MET A 34 2.861 9.917 -7.326 1.00 0.00 H new ATOM 0 HE1 MET A 34 1.549 7.424 -9.955 1.00 0.00 H new ATOM 0 HE2 MET A 34 1.058 9.104 -9.631 1.00 0.00 H new ATOM 0 HE3 MET A 34 2.776 8.646 -9.548 1.00 0.00 H new ATOM 551 N GLU A 35 3.564 12.109 -5.773 1.00 0.00 N ATOM 552 CA GLU A 35 3.659 13.567 -5.685 1.00 0.00 C ATOM 553 C GLU A 35 2.432 14.267 -6.271 1.00 0.00 C ATOM 554 O GLU A 35 2.474 15.461 -6.566 1.00 0.00 O ATOM 555 CB GLU A 35 4.919 14.053 -6.402 1.00 0.00 C ATOM 556 CG GLU A 35 5.044 13.538 -7.827 1.00 0.00 C ATOM 557 CD GLU A 35 6.021 12.385 -7.946 1.00 0.00 C ATOM 558 OE1 GLU A 35 5.724 11.298 -7.406 1.00 0.00 O ATOM 559 OE2 GLU A 35 7.082 12.567 -8.578 1.00 0.00 O ATOM 0 H GLU A 35 3.445 11.749 -6.720 1.00 0.00 H new ATOM 0 HA GLU A 35 3.709 13.823 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.921 15.143 -6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.795 13.740 -5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.064 13.217 -8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.367 14.352 -8.477 1.00 0.00 H new ATOM 566 N GLY A 36 1.334 13.533 -6.403 1.00 0.00 N ATOM 567 CA GLY A 36 0.105 14.114 -6.910 1.00 0.00 C ATOM 568 C GLY A 36 -0.962 14.063 -5.845 1.00 0.00 C ATOM 569 O GLY A 36 -1.452 15.093 -5.382 1.00 0.00 O ATOM 0 H GLY A 36 1.273 12.543 -6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.279 15.146 -7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.226 13.572 -7.796 1.00 0.00 H new ATOM 573 N PHE A 37 -1.273 12.849 -5.423 1.00 0.00 N ATOM 574 CA PHE A 37 -2.236 12.614 -4.362 1.00 0.00 C ATOM 575 C PHE A 37 -2.106 11.190 -3.860 1.00 0.00 C ATOM 576 O PHE A 37 -2.881 10.310 -4.236 1.00 0.00 O ATOM 577 CB PHE A 37 -3.678 12.885 -4.806 1.00 0.00 C ATOM 578 CG PHE A 37 -4.703 12.736 -3.695 1.00 0.00 C ATOM 579 CD1 PHE A 37 -4.322 12.643 -2.353 1.00 0.00 C ATOM 580 CD2 PHE A 37 -6.056 12.693 -3.998 1.00 0.00 C ATOM 581 CE1 PHE A 37 -5.266 12.509 -1.355 1.00 0.00 C ATOM 582 CE2 PHE A 37 -7.003 12.559 -2.998 1.00 0.00 C ATOM 583 CZ PHE A 37 -6.608 12.467 -1.676 1.00 0.00 C ATOM 0 H PHE A 37 -0.864 11.998 -5.808 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.012 13.315 -3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.739 13.895 -5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.933 12.202 -5.616 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.274 12.676 -2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.374 12.765 -5.028 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.955 12.437 -0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.053 12.526 -3.250 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.348 12.363 -0.896 1.00 0.00 H new ATOM 593 N LYS A 38 -1.123 10.972 -3.000 1.00 0.00 N ATOM 594 CA LYS A 38 -0.882 9.664 -2.430 1.00 0.00 C ATOM 595 C LYS A 38 -1.125 9.726 -0.938 1.00 0.00 C ATOM 596 O LYS A 38 -0.504 10.510 -0.225 1.00 0.00 O ATOM 597 CB LYS A 38 0.553 9.184 -2.744 1.00 0.00 C ATOM 598 CG LYS A 38 1.187 8.276 -1.681 1.00 0.00 C ATOM 599 CD LYS A 38 2.046 9.077 -0.709 1.00 0.00 C ATOM 600 CE LYS A 38 1.791 8.673 0.738 1.00 0.00 C ATOM 601 NZ LYS A 38 1.259 9.806 1.543 1.00 0.00 N ATOM 0 H LYS A 38 -0.476 11.694 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.567 8.941 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.540 8.650 -3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.190 10.058 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.404 7.754 -1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.797 7.515 -2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.099 8.928 -0.947 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.838 10.140 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.083 7.844 0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.719 8.314 1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.894 9.447 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.020 10.491 1.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.491 10.273 1.020 1.00 0.00 H new ATOM 615 N THR A 39 -2.017 8.874 -0.486 1.00 0.00 N ATOM 616 CA THR A 39 -2.350 8.786 0.904 1.00 0.00 C ATOM 617 C THR A 39 -3.051 7.516 1.220 1.00 0.00 C ATOM 618 O THR A 39 -3.478 6.759 0.347 1.00 0.00 O ATOM 619 CB THR A 39 -3.203 9.954 1.364 1.00 0.00 C ATOM 620 OG1 THR A 39 -3.829 10.587 0.262 1.00 0.00 O ATOM 621 CG2 THR A 39 -2.394 10.978 2.088 1.00 0.00 C ATOM 0 H THR A 39 -2.530 8.223 -1.081 1.00 0.00 H new ATOM 0 HA THR A 39 -1.402 8.815 1.442 1.00 0.00 H new ATOM 0 HB THR A 39 -3.953 9.542 2.039 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.290 11.354 -0.024 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.041 11.798 2.401 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.933 10.524 2.965 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.616 11.361 1.427 1.00 0.00 H new ATOM 629 N LEU A 40 -3.067 7.262 2.502 1.00 0.00 N ATOM 630 CA LEU A 40 -3.595 6.059 3.023 1.00 0.00 C ATOM 631 C LEU A 40 -4.520 6.330 4.161 1.00 0.00 C ATOM 632 O LEU A 40 -4.115 6.653 5.277 1.00 0.00 O ATOM 633 CB LEU A 40 -2.446 5.256 3.503 1.00 0.00 C ATOM 634 CG LEU A 40 -1.576 4.642 2.433 1.00 0.00 C ATOM 635 CD1 LEU A 40 -2.329 3.648 1.607 1.00 0.00 C ATOM 636 CD2 LEU A 40 -0.894 5.703 1.604 1.00 0.00 C ATOM 0 H LEU A 40 -2.706 7.901 3.210 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.161 5.533 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.821 5.891 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.827 4.456 4.137 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.784 4.080 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.667 3.229 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.698 2.848 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.171 4.142 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.275 5.228 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.646 6.328 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.267 6.321 2.247 1.00 0.00 H new ATOM 648 N LYS A 41 -5.755 6.163 3.856 1.00 0.00 N ATOM 649 CA LYS A 41 -6.812 6.349 4.841 1.00 0.00 C ATOM 650 C LYS A 41 -6.923 5.105 5.722 1.00 0.00 C ATOM 651 O LYS A 41 -7.623 5.107 6.735 1.00 0.00 O ATOM 652 CB LYS A 41 -8.173 6.658 4.183 1.00 0.00 C ATOM 653 CG LYS A 41 -8.103 7.197 2.753 1.00 0.00 C ATOM 654 CD LYS A 41 -7.032 8.265 2.595 1.00 0.00 C ATOM 655 CE LYS A 41 -7.449 9.340 1.604 1.00 0.00 C ATOM 656 NZ LYS A 41 -6.929 10.680 1.989 1.00 0.00 N ATOM 0 H LYS A 41 -6.083 5.895 2.928 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.546 7.211 5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.772 5.747 4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.700 7.384 4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.899 6.376 2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.072 7.612 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.829 8.722 3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.104 7.802 2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.083 9.080 0.611 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.537 9.376 1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.235 11.385 1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.298 10.940 2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.890 10.653 2.022 1.00 0.00 H new ATOM 670 N GLU A 42 -6.213 4.045 5.326 1.00 0.00 N ATOM 671 CA GLU A 42 -6.204 2.784 6.067 1.00 0.00 C ATOM 672 C GLU A 42 -7.562 2.080 6.040 1.00 0.00 C ATOM 673 O GLU A 42 -7.744 1.061 6.700 1.00 0.00 O ATOM 674 CB GLU A 42 -5.778 3.017 7.519 1.00 0.00 C ATOM 675 CG GLU A 42 -4.618 3.990 7.672 1.00 0.00 C ATOM 676 CD GLU A 42 -5.071 5.382 8.064 1.00 0.00 C ATOM 677 OE1 GLU A 42 -6.140 5.503 8.698 1.00 0.00 O ATOM 678 OE2 GLU A 42 -4.356 6.353 7.738 1.00 0.00 O ATOM 0 H GLU A 42 -5.632 4.038 4.488 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.483 2.135 5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.632 3.393 8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.499 2.062 7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.928 3.611 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.067 4.043 6.733 1.00 0.00 H new ATOM 685 N GLY A 43 -8.512 2.611 5.279 1.00 0.00 N ATOM 686 CA GLY A 43 -9.821 1.988 5.174 1.00 0.00 C ATOM 687 C GLY A 43 -10.406 2.133 3.794 1.00 0.00 C ATOM 688 O GLY A 43 -11.559 2.543 3.657 1.00 0.00 O ATOM 0 H GLY A 43 -8.400 3.464 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.740 0.930 5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.496 2.437 5.903 1.00 0.00 H new ATOM 692 N GLN A 44 -9.617 1.878 2.773 1.00 0.00 N ATOM 693 CA GLN A 44 -10.102 2.084 1.395 1.00 0.00 C ATOM 694 C GLN A 44 -9.609 1.010 0.473 1.00 0.00 C ATOM 695 O GLN A 44 -9.171 -0.031 0.924 1.00 0.00 O ATOM 696 CB GLN A 44 -9.645 3.472 0.909 1.00 0.00 C ATOM 697 CG GLN A 44 -9.896 4.589 1.908 1.00 0.00 C ATOM 698 CD GLN A 44 -10.319 5.880 1.237 1.00 0.00 C ATOM 699 OE1 GLN A 44 -11.369 6.441 1.552 1.00 0.00 O ATOM 700 NE2 GLN A 44 -9.502 6.358 0.305 1.00 0.00 N ATOM 0 H GLN A 44 -8.659 1.536 2.849 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.191 2.033 1.391 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.580 3.434 0.682 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.161 3.708 -0.022 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -10.669 4.278 2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.990 4.764 2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.642 5.860 0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.735 7.224 -0.182 1.00 0.00 H new ATOM 709 N VAL A 45 -9.697 1.288 -0.816 1.00 0.00 N ATOM 710 CA VAL A 45 -9.268 0.398 -1.845 1.00 0.00 C ATOM 711 C VAL A 45 -8.179 1.135 -2.577 1.00 0.00 C ATOM 712 O VAL A 45 -8.289 2.321 -2.837 1.00 0.00 O ATOM 713 CB VAL A 45 -10.461 0.056 -2.734 1.00 0.00 C ATOM 714 CG1 VAL A 45 -10.038 -0.741 -3.967 1.00 0.00 C ATOM 715 CG2 VAL A 45 -11.487 -0.712 -1.921 1.00 0.00 C ATOM 0 H VAL A 45 -10.080 2.164 -1.170 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.885 -0.553 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.903 0.985 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.915 -0.965 -4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.330 -0.155 -4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.566 -1.672 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.341 -0.958 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.038 -1.631 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.820 -0.099 -1.083 1.00 0.00 H new ATOM 725 N VAL A 46 -7.088 0.468 -2.810 1.00 0.00 N ATOM 726 CA VAL A 46 -5.945 1.100 -3.414 1.00 0.00 C ATOM 727 C VAL A 46 -5.695 0.500 -4.778 1.00 0.00 C ATOM 728 O VAL A 46 -6.359 -0.451 -5.170 1.00 0.00 O ATOM 729 CB VAL A 46 -4.737 0.921 -2.430 1.00 0.00 C ATOM 730 CG1 VAL A 46 -3.413 0.513 -3.083 1.00 0.00 C ATOM 731 CG2 VAL A 46 -4.551 2.174 -1.581 1.00 0.00 C ATOM 0 H VAL A 46 -6.962 -0.520 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.104 2.166 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.011 0.074 -1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.644 0.416 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.538 -0.442 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.113 1.274 -3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.709 2.033 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.356 3.028 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.456 2.358 -1.001 1.00 0.00 H new ATOM 741 N GLU A 47 -4.720 1.054 -5.464 1.00 0.00 N ATOM 742 CA GLU A 47 -4.315 0.571 -6.764 1.00 0.00 C ATOM 743 C GLU A 47 -2.850 0.177 -6.623 1.00 0.00 C ATOM 744 O GLU A 47 -1.970 1.033 -6.725 1.00 0.00 O ATOM 745 CB GLU A 47 -4.487 1.651 -7.834 1.00 0.00 C ATOM 746 CG GLU A 47 -4.306 1.137 -9.254 1.00 0.00 C ATOM 747 CD GLU A 47 -5.505 0.350 -9.746 1.00 0.00 C ATOM 748 OE1 GLU A 47 -6.621 0.589 -9.238 1.00 0.00 O ATOM 749 OE2 GLU A 47 -5.328 -0.505 -10.639 1.00 0.00 O ATOM 0 H GLU A 47 -4.184 1.856 -5.133 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.929 -0.272 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.481 2.089 -7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.768 2.449 -7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.130 1.980 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.419 0.505 -9.298 1.00 0.00 H new ATOM 756 N PHE A 48 -2.580 -1.094 -6.289 1.00 0.00 N ATOM 757 CA PHE A 48 -1.206 -1.502 -6.037 1.00 0.00 C ATOM 758 C PHE A 48 -0.789 -2.851 -6.597 1.00 0.00 C ATOM 759 O PHE A 48 -1.603 -3.689 -6.964 1.00 0.00 O ATOM 760 CB PHE A 48 -0.946 -1.480 -4.514 1.00 0.00 C ATOM 761 CG PHE A 48 -1.409 -2.709 -3.749 1.00 0.00 C ATOM 762 CD1 PHE A 48 -2.411 -3.545 -4.233 1.00 0.00 C ATOM 763 CD2 PHE A 48 -0.819 -3.025 -2.540 1.00 0.00 C ATOM 764 CE1 PHE A 48 -2.806 -4.664 -3.526 1.00 0.00 C ATOM 765 CE2 PHE A 48 -1.213 -4.145 -1.829 1.00 0.00 C ATOM 766 CZ PHE A 48 -2.206 -4.964 -2.324 1.00 0.00 C ATOM 0 H PHE A 48 -3.278 -1.832 -6.191 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.595 -0.779 -6.578 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.124 -1.353 -4.348 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.440 -0.605 -4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.887 -3.315 -5.175 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.040 -2.390 -2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.585 -5.303 -3.916 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.742 -4.378 -0.885 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.512 -5.839 -1.770 1.00 0.00 H new ATOM 776 N GLU A 49 0.528 -3.053 -6.567 1.00 0.00 N ATOM 777 CA GLU A 49 1.134 -4.299 -6.987 1.00 0.00 C ATOM 778 C GLU A 49 1.903 -4.845 -5.796 1.00 0.00 C ATOM 779 O GLU A 49 2.369 -4.070 -4.965 1.00 0.00 O ATOM 780 CB GLU A 49 2.049 -4.091 -8.209 1.00 0.00 C ATOM 781 CG GLU A 49 3.421 -3.512 -7.884 1.00 0.00 C ATOM 782 CD GLU A 49 4.175 -3.065 -9.121 1.00 0.00 C ATOM 783 OE1 GLU A 49 3.591 -2.318 -9.935 1.00 0.00 O ATOM 784 OE2 GLU A 49 5.348 -3.464 -9.277 1.00 0.00 O ATOM 0 H GLU A 49 1.198 -2.352 -6.249 1.00 0.00 H new ATOM 0 HA GLU A 49 0.371 -5.011 -7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.183 -5.048 -8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.547 -3.428 -8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.303 -2.664 -7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.011 -4.260 -7.355 1.00 0.00 H new ATOM 791 N ILE A 50 2.013 -6.155 -5.684 1.00 0.00 N ATOM 792 CA ILE A 50 2.704 -6.739 -4.544 1.00 0.00 C ATOM 793 C ILE A 50 3.505 -7.975 -4.923 1.00 0.00 C ATOM 794 O ILE A 50 2.975 -8.926 -5.497 1.00 0.00 O ATOM 795 CB ILE A 50 1.716 -7.084 -3.406 1.00 0.00 C ATOM 796 CG1 ILE A 50 0.403 -7.674 -3.963 1.00 0.00 C ATOM 797 CG2 ILE A 50 1.443 -5.843 -2.562 1.00 0.00 C ATOM 798 CD1 ILE A 50 -0.542 -6.654 -4.585 1.00 0.00 C ATOM 0 H ILE A 50 1.641 -6.828 -6.354 1.00 0.00 H new ATOM 0 HA ILE A 50 3.404 -5.982 -4.190 1.00 0.00 H new ATOM 0 HB ILE A 50 2.171 -7.846 -2.773 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.648 -8.426 -4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.119 -8.188 -3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.746 -6.093 -1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.377 -5.484 -2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.010 -5.064 -3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.436 -7.161 -4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.823 -5.914 -3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.044 -6.156 -5.417 1.00 0.00 H new ATOM 810 N GLN A 51 4.792 -7.946 -4.590 1.00 0.00 N ATOM 811 CA GLN A 51 5.688 -9.058 -4.885 1.00 0.00 C ATOM 812 C GLN A 51 6.484 -9.453 -3.646 1.00 0.00 C ATOM 813 O GLN A 51 6.511 -8.724 -2.655 1.00 0.00 O ATOM 814 CB GLN A 51 6.640 -8.686 -6.022 1.00 0.00 C ATOM 815 CG GLN A 51 6.080 -8.976 -7.405 1.00 0.00 C ATOM 816 CD GLN A 51 6.436 -7.903 -8.414 1.00 0.00 C ATOM 817 OE1 GLN A 51 7.492 -7.277 -8.326 1.00 0.00 O ATOM 818 NE2 GLN A 51 5.553 -7.684 -9.382 1.00 0.00 N ATOM 0 H GLN A 51 5.238 -7.162 -4.114 1.00 0.00 H new ATOM 0 HA GLN A 51 5.083 -9.910 -5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.880 -7.625 -5.951 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.574 -9.233 -5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.460 -9.937 -7.753 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.995 -9.065 -7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.690 -8.226 -9.417 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.738 -6.974 -10.090 1.00 0.00 H new ATOM 827 N GLU A 52 7.133 -10.610 -3.709 1.00 0.00 N ATOM 828 CA GLU A 52 7.934 -11.100 -2.592 1.00 0.00 C ATOM 829 C GLU A 52 9.415 -11.118 -2.951 1.00 0.00 C ATOM 830 O GLU A 52 9.806 -11.651 -3.989 1.00 0.00 O ATOM 831 CB GLU A 52 7.480 -12.505 -2.192 1.00 0.00 C ATOM 832 CG GLU A 52 6.086 -12.543 -1.591 1.00 0.00 C ATOM 833 CD GLU A 52 5.440 -13.911 -1.701 1.00 0.00 C ATOM 834 OE1 GLU A 52 4.920 -14.235 -2.790 1.00 0.00 O ATOM 835 OE2 GLU A 52 5.456 -14.657 -0.700 1.00 0.00 O ATOM 0 H GLU A 52 7.121 -11.227 -4.521 1.00 0.00 H new ATOM 0 HA GLU A 52 7.790 -10.423 -1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.506 -13.150 -3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.188 -12.916 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.139 -12.254 -0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.458 -11.807 -2.093 1.00 0.00 H new ATOM 842 N GLY A 53 10.237 -10.531 -2.086 1.00 0.00 N ATOM 843 CA GLY A 53 11.668 -10.494 -2.335 1.00 0.00 C ATOM 844 C GLY A 53 12.467 -11.076 -1.195 1.00 0.00 C ATOM 845 O GLY A 53 12.155 -12.152 -0.685 1.00 0.00 O ATOM 0 H GLY A 53 9.940 -10.082 -1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.889 -11.046 -3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.978 -9.463 -2.503 1.00 0.00 H new ATOM 849 N LYS A 54 13.497 -10.349 -0.791 1.00 0.00 N ATOM 850 CA LYS A 54 14.356 -10.775 0.307 1.00 0.00 C ATOM 851 C LYS A 54 13.546 -10.952 1.589 1.00 0.00 C ATOM 852 O LYS A 54 13.897 -11.754 2.454 1.00 0.00 O ATOM 853 CB LYS A 54 15.476 -9.758 0.533 1.00 0.00 C ATOM 854 CG LYS A 54 16.330 -9.510 -0.701 1.00 0.00 C ATOM 855 CD LYS A 54 17.194 -10.718 -1.042 1.00 0.00 C ATOM 856 CE LYS A 54 18.677 -10.409 -0.899 1.00 0.00 C ATOM 857 NZ LYS A 54 19.175 -9.550 -2.010 1.00 0.00 N ATOM 0 H LYS A 54 13.761 -9.456 -1.208 1.00 0.00 H new ATOM 0 HA LYS A 54 14.798 -11.735 0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.038 -8.814 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.116 -10.108 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.686 -9.273 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 54 16.968 -8.642 -0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.931 -11.549 -0.388 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.986 -11.037 -2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.854 -9.909 0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 54 19.242 -11.341 -0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 20.189 -9.362 -1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 19.030 -10.037 -2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 18.654 -8.650 -2.013 1.00 0.00 H new ATOM 871 N LYS A 55 12.456 -10.196 1.701 1.00 0.00 N ATOM 872 CA LYS A 55 11.590 -10.262 2.869 1.00 0.00 C ATOM 873 C LYS A 55 10.256 -10.949 2.501 1.00 0.00 C ATOM 874 O LYS A 55 10.271 -12.067 1.985 1.00 0.00 O ATOM 875 CB LYS A 55 11.388 -8.847 3.424 1.00 0.00 C ATOM 876 CG LYS A 55 12.674 -8.188 3.894 1.00 0.00 C ATOM 877 CD LYS A 55 12.667 -6.692 3.619 1.00 0.00 C ATOM 878 CE LYS A 55 11.802 -5.947 4.622 1.00 0.00 C ATOM 879 NZ LYS A 55 12.502 -5.749 5.921 1.00 0.00 N ATOM 0 H LYS A 55 12.153 -9.528 0.992 1.00 0.00 H new ATOM 0 HA LYS A 55 12.051 -10.865 3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.932 -8.225 2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.686 -8.889 4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.804 -8.362 4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.525 -8.648 3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.686 -6.308 3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.297 -6.508 2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.521 -4.978 4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.879 -6.502 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.878 -5.237 6.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.748 -6.674 6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.370 -5.197 5.767 1.00 0.00 H new ATOM 893 N GLY A 56 9.109 -10.299 2.751 1.00 0.00 N ATOM 894 CA GLY A 56 7.832 -10.901 2.416 1.00 0.00 C ATOM 895 C GLY A 56 7.109 -10.135 1.321 1.00 0.00 C ATOM 896 O GLY A 56 7.708 -9.278 0.671 1.00 0.00 O ATOM 0 H GLY A 56 9.050 -9.374 3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.990 -11.930 2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.205 -10.939 3.307 1.00 0.00 H new ATOM 900 N PRO A 57 5.812 -10.414 1.085 1.00 0.00 N ATOM 901 CA PRO A 57 5.038 -9.726 0.052 1.00 0.00 C ATOM 902 C PRO A 57 4.721 -8.284 0.440 1.00 0.00 C ATOM 903 O PRO A 57 3.972 -8.039 1.386 1.00 0.00 O ATOM 904 CB PRO A 57 3.742 -10.551 -0.059 1.00 0.00 C ATOM 905 CG PRO A 57 3.958 -11.772 0.776 1.00 0.00 C ATOM 906 CD PRO A 57 4.998 -11.411 1.795 1.00 0.00 C ATOM 0 HA PRO A 57 5.588 -9.661 -0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.885 -9.981 0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.537 -10.818 -1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.031 -12.080 1.260 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.291 -12.609 0.162 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.552 -10.999 2.701 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.589 -12.277 2.095 1.00 0.00 H new ATOM 914 N GLN A 58 5.290 -7.332 -0.295 1.00 0.00 N ATOM 915 CA GLN A 58 5.063 -5.924 -0.027 1.00 0.00 C ATOM 916 C GLN A 58 4.639 -5.190 -1.286 1.00 0.00 C ATOM 917 O GLN A 58 5.014 -5.550 -2.407 1.00 0.00 O ATOM 918 CB GLN A 58 6.322 -5.267 0.557 1.00 0.00 C ATOM 919 CG GLN A 58 6.260 -3.739 0.701 1.00 0.00 C ATOM 920 CD GLN A 58 7.269 -3.024 -0.181 1.00 0.00 C ATOM 921 OE1 GLN A 58 7.855 -2.019 0.220 1.00 0.00 O ATOM 922 NE2 GLN A 58 7.477 -3.535 -1.392 1.00 0.00 N ATOM 0 H GLN A 58 5.912 -7.516 -1.082 1.00 0.00 H new ATOM 0 HA GLN A 58 4.258 -5.856 0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.516 -5.700 1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.172 -5.521 -0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.257 -3.395 0.450 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.438 -3.469 1.742 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.971 -4.370 -1.687 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.143 -3.092 -2.025 1.00 0.00 H new ATOM 931 N ALA A 59 3.890 -4.134 -1.063 1.00 0.00 N ATOM 932 CA ALA A 59 3.419 -3.269 -2.100 1.00 0.00 C ATOM 933 C ALA A 59 4.596 -2.514 -2.693 1.00 0.00 C ATOM 934 O ALA A 59 5.467 -2.039 -1.971 1.00 0.00 O ATOM 935 CB ALA A 59 2.450 -2.289 -1.486 1.00 0.00 C ATOM 0 H ALA A 59 3.589 -3.853 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 59 2.929 -3.843 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.075 -1.616 -2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.616 -2.832 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.958 -1.710 -0.715 1.00 0.00 H new ATOM 941 N ALA A 60 4.619 -2.417 -4.000 1.00 0.00 N ATOM 942 CA ALA A 60 5.699 -1.726 -4.704 1.00 0.00 C ATOM 943 C ALA A 60 5.196 -0.454 -5.371 1.00 0.00 C ATOM 944 O ALA A 60 5.922 0.530 -5.510 1.00 0.00 O ATOM 945 CB ALA A 60 6.308 -2.646 -5.737 1.00 0.00 C ATOM 0 H ALA A 60 3.902 -2.807 -4.611 1.00 0.00 H new ATOM 0 HA ALA A 60 6.458 -1.446 -3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.112 -2.126 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.708 -3.532 -5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.544 -2.944 -6.454 1.00 0.00 H new ATOM 951 N HIS A 61 3.939 -0.494 -5.770 1.00 0.00 N ATOM 952 CA HIS A 61 3.277 0.612 -6.416 1.00 0.00 C ATOM 953 C HIS A 61 1.985 0.832 -5.682 1.00 0.00 C ATOM 954 O HIS A 61 1.166 -0.066 -5.615 1.00 0.00 O ATOM 955 CB HIS A 61 3.022 0.253 -7.872 1.00 0.00 C ATOM 956 CG HIS A 61 4.001 0.864 -8.826 1.00 0.00 C ATOM 957 ND1 HIS A 61 3.955 2.189 -9.207 1.00 0.00 N ATOM 958 CD2 HIS A 61 5.059 0.324 -9.476 1.00 0.00 C ATOM 959 CE1 HIS A 61 4.941 2.436 -10.052 1.00 0.00 C ATOM 960 NE2 HIS A 61 5.625 1.321 -10.229 1.00 0.00 N ATOM 0 H HIS A 61 3.343 -1.313 -5.650 1.00 0.00 H new ATOM 0 HA HIS A 61 3.880 1.520 -6.394 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.052 -0.831 -7.980 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.016 0.572 -8.144 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.395 -0.701 -9.413 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.151 3.387 -10.518 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.443 1.217 -10.829 1.00 0.00 H new ATOM 969 N VAL A 62 1.842 1.985 -5.057 1.00 0.00 N ATOM 970 CA VAL A 62 0.667 2.240 -4.245 1.00 0.00 C ATOM 971 C VAL A 62 0.003 3.584 -4.520 1.00 0.00 C ATOM 972 O VAL A 62 0.589 4.646 -4.310 1.00 0.00 O ATOM 973 CB VAL A 62 1.047 2.144 -2.756 1.00 0.00 C ATOM 974 CG1 VAL A 62 -0.186 2.273 -1.869 1.00 0.00 C ATOM 975 CG2 VAL A 62 1.749 0.823 -2.507 1.00 0.00 C ATOM 0 H VAL A 62 2.515 2.751 -5.094 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.067 1.480 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 62 1.719 2.965 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.110 2.202 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.663 3.237 -2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.888 1.473 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.021 0.748 -1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.082 0.002 -2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.649 0.768 -3.119 1.00 0.00 H new ATOM 985 N LYS A 63 -1.253 3.506 -4.940 1.00 0.00 N ATOM 986 CA LYS A 63 -2.071 4.681 -5.196 1.00 0.00 C ATOM 987 C LYS A 63 -3.369 4.513 -4.415 1.00 0.00 C ATOM 988 O LYS A 63 -3.511 3.529 -3.693 1.00 0.00 O ATOM 989 CB LYS A 63 -2.331 4.847 -6.693 1.00 0.00 C ATOM 990 CG LYS A 63 -1.077 4.682 -7.544 1.00 0.00 C ATOM 991 CD LYS A 63 -1.322 3.780 -8.742 1.00 0.00 C ATOM 992 CE LYS A 63 -1.780 4.576 -9.954 1.00 0.00 C ATOM 993 NZ LYS A 63 -0.640 4.958 -10.832 1.00 0.00 N ATOM 0 H LYS A 63 -1.733 2.623 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.558 5.586 -4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.075 4.116 -7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.757 5.834 -6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.740 5.660 -7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.276 4.266 -6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.407 3.239 -8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.076 3.034 -8.489 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.496 3.986 -10.526 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.300 5.475 -9.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.995 5.499 -11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.032 5.542 -10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.159 4.100 -11.170 1.00 0.00 H new ATOM 1007 N VAL A 64 -4.313 5.447 -4.523 1.00 0.00 N ATOM 1008 CA VAL A 64 -5.557 5.325 -3.754 1.00 0.00 C ATOM 1009 C VAL A 64 -6.802 5.262 -4.633 1.00 0.00 C ATOM 1010 O VAL A 64 -6.918 5.970 -5.634 1.00 0.00 O ATOM 1011 CB VAL A 64 -5.689 6.477 -2.705 1.00 0.00 C ATOM 1012 CG1 VAL A 64 -6.528 7.657 -3.213 1.00 0.00 C ATOM 1013 CG2 VAL A 64 -6.268 5.940 -1.404 1.00 0.00 C ATOM 0 H VAL A 64 -4.248 6.274 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.492 4.372 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 64 -4.683 6.859 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.583 8.424 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.065 8.075 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.534 7.312 -3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.355 6.752 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.254 5.515 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.610 5.168 -1.004 1.00 0.00 H new ATOM 1023 N VAL A 65 -7.745 4.430 -4.205 1.00 0.00 N ATOM 1024 CA VAL A 65 -9.007 4.273 -4.883 1.00 0.00 C ATOM 1025 C VAL A 65 -10.123 4.083 -3.839 1.00 0.00 C ATOM 1026 O VAL A 65 -9.874 4.037 -2.627 1.00 0.00 O ATOM 1027 CB VAL A 65 -8.975 3.101 -5.931 1.00 0.00 C ATOM 1028 CG1 VAL A 65 -7.661 3.083 -6.704 1.00 0.00 C ATOM 1029 CG2 VAL A 65 -9.194 1.722 -5.318 1.00 0.00 C ATOM 0 H VAL A 65 -7.646 3.847 -3.374 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.211 5.177 -5.457 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.809 3.305 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.671 2.261 -7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.539 4.026 -7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.832 2.949 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.158 0.966 -6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.413 1.522 -4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.167 1.692 -4.829 1.00 0.00 H new ATOM 1039 N GLU A 66 -11.341 3.974 -4.308 1.00 0.00 N ATOM 1040 CA GLU A 66 -12.487 3.788 -3.417 1.00 0.00 C ATOM 1041 C GLU A 66 -13.450 2.746 -3.977 1.00 0.00 C ATOM 1042 O GLU A 66 -13.291 1.554 -3.640 1.00 0.00 O ATOM 1043 CB GLU A 66 -13.222 5.111 -3.198 1.00 0.00 C ATOM 1044 CG GLU A 66 -13.364 5.936 -4.461 1.00 0.00 C ATOM 1045 CD GLU A 66 -13.815 7.358 -4.187 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -13.572 7.851 -3.066 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -14.411 7.977 -5.092 1.00 0.00 O ATOM 1048 OXT GLU A 66 -14.354 3.131 -4.747 1.00 0.00 O ATOM 0 H GLU A 66 -11.577 4.009 -5.300 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.109 3.432 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.213 4.905 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.688 5.696 -2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.408 5.957 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.081 5.454 -5.126 1.00 0.00 H new TER 1055 GLU A 66