USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 457 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 16 SER OG : rot -157:sc= 0.667 USER MOD Set 1.2: A 46 SER OG : rot 56:sc= 1.3 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0.181 USER MOD Set 2.2: A 37 ASN : amide:sc= 0 K(o=0.18,f=-0.48) USER MOD Set 3.1: A 19 SER OG : rot 117:sc= 0.529 USER MOD Set 3.2: A 21 THR OG1 : rot 99:sc= 0.777 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0866 (180deg=-0.32) USER MOD Single : A 3 CYS SG : rot 62:sc= 1.04 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 1.34 (180deg=1.28) USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 2.35 (180deg=2.19) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0.793 (180deg=0.773) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -120:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 1.06 K(o=1.1,f=-0.098) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.387 1.331 -7.383 1.00 0.00 N ATOM 2 CA MET A 1 -7.575 0.794 -6.704 1.00 0.00 C ATOM 3 C MET A 1 -7.516 -0.730 -6.472 1.00 0.00 C ATOM 4 O MET A 1 -8.352 -1.272 -5.746 1.00 0.00 O ATOM 5 CB MET A 1 -8.839 1.169 -7.499 1.00 0.00 C ATOM 6 CG MET A 1 -9.133 2.676 -7.490 1.00 0.00 C ATOM 7 SD MET A 1 -9.557 3.356 -5.861 1.00 0.00 S ATOM 8 CE MET A 1 -9.766 5.101 -6.304 1.00 0.00 C ATOM 0 H1 MET A 1 -6.359 2.364 -7.269 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.531 0.913 -6.966 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.430 1.096 -8.395 1.00 0.00 H new ATOM 0 HA MET A 1 -7.605 1.248 -5.713 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.725 0.834 -8.530 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.694 0.636 -7.083 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.261 3.205 -7.874 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.955 2.876 -8.177 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.031 5.673 -5.415 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.834 5.485 -6.718 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.559 5.196 -7.046 1.00 0.00 H new ATOM 18 N LEU A 2 -6.519 -1.413 -7.038 1.00 0.00 N ATOM 19 CA LEU A 2 -6.175 -2.815 -6.771 1.00 0.00 C ATOM 20 C LEU A 2 -4.673 -2.970 -6.526 1.00 0.00 C ATOM 21 O LEU A 2 -3.852 -2.300 -7.161 1.00 0.00 O ATOM 22 CB LEU A 2 -6.758 -3.738 -7.858 1.00 0.00 C ATOM 23 CG LEU A 2 -6.182 -3.560 -9.281 1.00 0.00 C ATOM 24 CD1 LEU A 2 -4.993 -4.487 -9.551 1.00 0.00 C ATOM 25 CD2 LEU A 2 -7.252 -3.890 -10.326 1.00 0.00 C ATOM 0 H LEU A 2 -5.900 -0.986 -7.727 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.646 -3.140 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.601 -4.772 -7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.835 -3.579 -7.902 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.855 -2.523 -9.350 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.626 -4.322 -10.564 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.197 -4.275 -8.837 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.309 -5.525 -9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.836 -3.762 -11.325 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.579 -4.922 -10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.103 -3.222 -10.199 1.00 0.00 H new ATOM 37 N CYS A 3 -4.323 -3.862 -5.598 1.00 0.00 N ATOM 38 CA CYS A 3 -2.986 -3.971 -5.055 1.00 0.00 C ATOM 39 C CYS A 3 -1.860 -4.267 -6.054 1.00 0.00 C ATOM 40 O CYS A 3 -1.973 -5.140 -6.908 1.00 0.00 O ATOM 41 CB CYS A 3 -3.028 -4.970 -3.877 1.00 0.00 C ATOM 42 SG CYS A 3 -4.528 -4.977 -2.874 1.00 0.00 S ATOM 0 H CYS A 3 -4.978 -4.536 -5.202 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.703 -2.976 -4.711 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.881 -5.973 -4.276 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.182 -4.760 -3.223 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.542 -5.317 -3.613 1.00 0.00 H new ATOM 48 N ALA A 4 -0.714 -3.602 -5.875 1.00 0.00 N ATOM 49 CA ALA A 4 0.495 -3.927 -6.648 1.00 0.00 C ATOM 50 C ALA A 4 1.165 -5.237 -6.180 1.00 0.00 C ATOM 51 O ALA A 4 1.974 -5.812 -6.911 1.00 0.00 O ATOM 52 CB ALA A 4 1.489 -2.767 -6.602 1.00 0.00 C ATOM 0 H ALA A 4 -0.596 -2.840 -5.207 1.00 0.00 H new ATOM 0 HA ALA A 4 0.180 -4.085 -7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.377 -3.026 -7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.027 -1.875 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.773 -2.572 -5.568 1.00 0.00 H new ATOM 58 N ILE A 5 0.828 -5.711 -4.969 1.00 0.00 N ATOM 59 CA ILE A 5 1.391 -6.934 -4.386 1.00 0.00 C ATOM 60 C ILE A 5 0.651 -8.177 -4.920 1.00 0.00 C ATOM 61 O ILE A 5 1.286 -9.020 -5.556 1.00 0.00 O ATOM 62 CB ILE A 5 1.438 -6.825 -2.844 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.483 -5.794 -2.353 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.817 -8.194 -2.243 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.900 -4.397 -2.138 1.00 0.00 C ATOM 0 H ILE A 5 0.150 -5.249 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 5 2.427 -7.056 -4.701 1.00 0.00 H new ATOM 0 HB ILE A 5 0.449 -6.501 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.919 -6.146 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.293 -5.734 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.850 -8.118 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.073 -8.937 -2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.796 -8.497 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.685 -3.724 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.489 -4.026 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.109 -4.444 -1.389 1.00 0.00 H new ATOM 77 N SER A 6 -0.675 -8.281 -4.711 1.00 0.00 N ATOM 78 CA SER A 6 -1.490 -9.433 -5.173 1.00 0.00 C ATOM 79 C SER A 6 -2.697 -9.100 -6.051 1.00 0.00 C ATOM 80 O SER A 6 -3.355 -10.015 -6.547 1.00 0.00 O ATOM 81 CB SER A 6 -1.901 -10.382 -4.039 1.00 0.00 C ATOM 82 OG SER A 6 -0.780 -10.785 -3.265 1.00 0.00 O ATOM 0 H SER A 6 -1.217 -7.571 -4.217 1.00 0.00 H new ATOM 0 HA SER A 6 -0.790 -9.950 -5.829 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.630 -9.888 -3.396 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.390 -11.261 -4.458 1.00 0.00 H new ATOM 0 HG SER A 6 -1.075 -11.387 -2.550 1.00 0.00 H new ATOM 88 N GLY A 7 -2.992 -7.817 -6.295 1.00 0.00 N ATOM 89 CA GLY A 7 -3.999 -7.418 -7.292 1.00 0.00 C ATOM 90 C GLY A 7 -5.446 -7.580 -6.840 1.00 0.00 C ATOM 91 O GLY A 7 -6.386 -7.554 -7.637 1.00 0.00 O ATOM 0 H GLY A 7 -2.548 -7.034 -5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.831 -6.375 -7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.848 -8.007 -8.196 1.00 0.00 H new ATOM 95 N LYS A 8 -5.586 -7.775 -5.534 1.00 0.00 N ATOM 96 CA LYS A 8 -6.812 -8.005 -4.782 1.00 0.00 C ATOM 97 C LYS A 8 -7.576 -6.692 -4.541 1.00 0.00 C ATOM 98 O LYS A 8 -7.020 -5.603 -4.694 1.00 0.00 O ATOM 99 CB LYS A 8 -6.306 -8.669 -3.490 1.00 0.00 C ATOM 100 CG LYS A 8 -7.386 -8.973 -2.455 1.00 0.00 C ATOM 101 CD LYS A 8 -6.778 -9.616 -1.207 1.00 0.00 C ATOM 102 CE LYS A 8 -7.868 -9.925 -0.170 1.00 0.00 C ATOM 103 NZ LYS A 8 -8.522 -8.688 0.340 1.00 0.00 N ATOM 0 H LYS A 8 -4.771 -7.776 -4.921 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.539 -8.630 -5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.802 -9.600 -3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.559 -8.019 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.902 -8.053 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.132 -9.640 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.259 -10.534 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.035 -8.947 -0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.620 -10.574 -0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.430 -10.473 0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.190 -8.936 1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.798 -8.042 0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.035 -8.222 -0.435 1.00 0.00 H new ATOM 117 N VAL A 9 -8.854 -6.788 -4.165 1.00 0.00 N ATOM 118 CA VAL A 9 -9.648 -5.655 -3.660 1.00 0.00 C ATOM 119 C VAL A 9 -9.194 -5.380 -2.210 1.00 0.00 C ATOM 120 O VAL A 9 -9.367 -6.250 -1.348 1.00 0.00 O ATOM 121 CB VAL A 9 -11.163 -5.909 -3.807 1.00 0.00 C ATOM 122 CG1 VAL A 9 -11.710 -7.173 -3.124 1.00 0.00 C ATOM 123 CG2 VAL A 9 -11.967 -4.696 -3.322 1.00 0.00 C ATOM 0 H VAL A 9 -9.376 -7.663 -4.202 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.472 -4.758 -4.254 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.290 -6.075 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.784 -7.244 -3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.217 -8.053 -3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.518 -7.120 -2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.032 -4.897 -3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.742 -4.507 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.698 -3.821 -3.914 1.00 0.00 H new ATOM 133 N PRO A 10 -8.529 -4.247 -1.915 1.00 0.00 N ATOM 134 CA PRO A 10 -7.879 -4.033 -0.622 1.00 0.00 C ATOM 135 C PRO A 10 -8.881 -3.929 0.540 1.00 0.00 C ATOM 136 O PRO A 10 -9.704 -3.013 0.593 1.00 0.00 O ATOM 137 CB PRO A 10 -7.033 -2.767 -0.792 1.00 0.00 C ATOM 138 CG PRO A 10 -7.748 -1.993 -1.899 1.00 0.00 C ATOM 139 CD PRO A 10 -8.292 -3.106 -2.792 1.00 0.00 C ATOM 0 HA PRO A 10 -7.258 -4.886 -0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.986 -2.191 0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.007 -3.007 -1.071 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.546 -1.365 -1.503 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.066 -1.337 -2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.213 -2.795 -3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.580 -3.359 -3.577 1.00 0.00 H new ATOM 147 N ARG A 11 -8.783 -4.854 1.507 1.00 0.00 N ATOM 148 CA ARG A 11 -9.498 -4.820 2.798 1.00 0.00 C ATOM 149 C ARG A 11 -9.119 -3.585 3.620 1.00 0.00 C ATOM 150 O ARG A 11 -9.974 -3.001 4.288 1.00 0.00 O ATOM 151 CB ARG A 11 -9.221 -6.128 3.565 1.00 0.00 C ATOM 152 CG ARG A 11 -10.139 -6.312 4.788 1.00 0.00 C ATOM 153 CD ARG A 11 -9.824 -7.591 5.580 1.00 0.00 C ATOM 154 NE ARG A 11 -9.998 -8.826 4.787 1.00 0.00 N ATOM 155 CZ ARG A 11 -11.123 -9.452 4.484 1.00 0.00 C ATOM 156 NH1 ARG A 11 -12.295 -9.002 4.838 1.00 0.00 N ATOM 157 NH2 ARG A 11 -11.089 -10.561 3.802 1.00 0.00 N ATOM 0 H ARG A 11 -8.185 -5.675 1.411 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.569 -4.744 2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.350 -6.974 2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.181 -6.138 3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.038 -5.449 5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.177 -6.341 4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.797 -7.542 5.943 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.470 -7.636 6.457 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.142 -9.249 4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.369 -8.135 5.370 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.138 -9.517 4.583 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.194 -10.947 3.501 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.957 -11.043 3.569 1.00 0.00 H new ATOM 171 N ARG A 12 -7.851 -3.162 3.548 1.00 0.00 N ATOM 172 CA ARG A 12 -7.342 -1.899 4.116 1.00 0.00 C ATOM 173 C ARG A 12 -6.539 -1.116 3.064 1.00 0.00 C ATOM 174 O ARG A 12 -5.349 -1.388 2.928 1.00 0.00 O ATOM 175 CB ARG A 12 -6.525 -2.196 5.392 1.00 0.00 C ATOM 176 CG ARG A 12 -7.338 -2.817 6.545 1.00 0.00 C ATOM 177 CD ARG A 12 -8.409 -1.864 7.096 1.00 0.00 C ATOM 178 NE ARG A 12 -9.196 -2.489 8.176 1.00 0.00 N ATOM 179 CZ ARG A 12 -10.394 -3.043 8.088 1.00 0.00 C ATOM 180 NH1 ARG A 12 -11.029 -3.186 6.959 1.00 0.00 N ATOM 181 NH2 ARG A 12 -10.990 -3.477 9.160 1.00 0.00 N ATOM 0 H ARG A 12 -7.125 -3.703 3.079 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.178 -1.261 4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.709 -2.871 5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.073 -1.268 5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.817 -3.732 6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.660 -3.100 7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.932 -0.959 7.471 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.076 -1.561 6.289 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.765 -2.495 9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.603 -2.864 6.090 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.952 -3.620 6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.534 -3.390 10.068 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.914 -3.904 9.092 1.00 0.00 H new ATOM 195 N PRO A 13 -7.149 -0.207 2.277 1.00 0.00 N ATOM 196 CA PRO A 13 -6.469 0.559 1.233 1.00 0.00 C ATOM 197 C PRO A 13 -5.337 1.415 1.793 1.00 0.00 C ATOM 198 O PRO A 13 -5.493 2.189 2.738 1.00 0.00 O ATOM 199 CB PRO A 13 -7.541 1.390 0.513 1.00 0.00 C ATOM 200 CG PRO A 13 -8.699 1.409 1.505 1.00 0.00 C ATOM 201 CD PRO A 13 -8.569 0.026 2.136 1.00 0.00 C ATOM 0 HA PRO A 13 -5.982 -0.111 0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.187 2.396 0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.831 0.937 -0.435 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.599 2.208 2.240 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.661 1.548 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.070 -0.012 3.103 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.030 -0.736 1.508 1.00 0.00 H new ATOM 209 N VAL A 14 -4.177 1.236 1.189 1.00 0.00 N ATOM 210 CA VAL A 14 -2.885 1.804 1.588 1.00 0.00 C ATOM 211 C VAL A 14 -2.089 2.216 0.348 1.00 0.00 C ATOM 212 O VAL A 14 -2.129 1.542 -0.678 1.00 0.00 O ATOM 213 CB VAL A 14 -2.159 0.762 2.465 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.640 0.741 2.347 1.00 0.00 C ATOM 215 CG2 VAL A 14 -2.485 1.003 3.939 1.00 0.00 C ATOM 0 H VAL A 14 -4.098 0.656 0.354 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.011 2.712 2.177 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.525 -0.195 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.235 -0.027 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.358 0.522 1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.239 1.713 2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.969 0.264 4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.158 2.003 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.560 0.915 4.093 1.00 0.00 H new ATOM 225 N LEU A 15 -1.354 3.325 0.446 1.00 0.00 N ATOM 226 CA LEU A 15 -0.559 3.920 -0.630 1.00 0.00 C ATOM 227 C LEU A 15 0.863 4.245 -0.134 1.00 0.00 C ATOM 228 O LEU A 15 1.103 4.417 1.064 1.00 0.00 O ATOM 229 CB LEU A 15 -1.348 5.151 -1.137 1.00 0.00 C ATOM 230 CG LEU A 15 -0.679 6.028 -2.222 1.00 0.00 C ATOM 231 CD1 LEU A 15 -1.741 6.640 -3.139 1.00 0.00 C ATOM 232 CD2 LEU A 15 0.105 7.205 -1.629 1.00 0.00 C ATOM 0 H LEU A 15 -1.294 3.856 1.315 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.411 3.234 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.303 4.801 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.569 5.786 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.001 5.366 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.256 7.255 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.306 5.844 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.418 7.258 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.553 7.786 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.570 7.840 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.890 6.826 -0.975 1.00 0.00 H new ATOM 244 N SER A 16 1.810 4.358 -1.064 1.00 0.00 N ATOM 245 CA SER A 16 3.167 4.874 -0.848 1.00 0.00 C ATOM 246 C SER A 16 3.454 5.944 -1.915 1.00 0.00 C ATOM 247 O SER A 16 3.198 5.687 -3.095 1.00 0.00 O ATOM 248 CB SER A 16 4.193 3.739 -0.878 1.00 0.00 C ATOM 249 OG SER A 16 5.507 4.255 -0.963 1.00 0.00 O ATOM 0 H SER A 16 1.648 4.081 -2.032 1.00 0.00 H new ATOM 0 HA SER A 16 3.244 5.330 0.139 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.094 3.129 0.020 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.997 3.087 -1.730 1.00 0.00 H new ATOM 0 HG SER A 16 6.102 3.574 -1.339 1.00 0.00 H new ATOM 255 N PRO A 17 3.939 7.153 -1.558 1.00 0.00 N ATOM 256 CA PRO A 17 4.167 8.256 -2.505 1.00 0.00 C ATOM 257 C PRO A 17 5.068 7.943 -3.713 1.00 0.00 C ATOM 258 O PRO A 17 5.074 8.703 -4.686 1.00 0.00 O ATOM 259 CB PRO A 17 4.789 9.384 -1.672 1.00 0.00 C ATOM 260 CG PRO A 17 4.253 9.132 -0.270 1.00 0.00 C ATOM 261 CD PRO A 17 4.190 7.611 -0.199 1.00 0.00 C ATOM 0 HA PRO A 17 3.211 8.505 -2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.878 9.347 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.495 10.366 -2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.911 9.545 0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.272 9.584 -0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.124 7.200 0.185 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.398 7.285 0.475 1.00 0.00 H new ATOM 269 N LYS A 18 5.838 6.845 -3.666 1.00 0.00 N ATOM 270 CA LYS A 18 6.776 6.421 -4.720 1.00 0.00 C ATOM 271 C LYS A 18 6.062 5.663 -5.841 1.00 0.00 C ATOM 272 O LYS A 18 6.267 5.959 -7.018 1.00 0.00 O ATOM 273 CB LYS A 18 7.886 5.574 -4.084 1.00 0.00 C ATOM 274 CG LYS A 18 8.873 6.466 -3.300 1.00 0.00 C ATOM 275 CD LYS A 18 9.535 5.744 -2.121 1.00 0.00 C ATOM 276 CE LYS A 18 8.513 5.515 -1.003 1.00 0.00 C ATOM 277 NZ LYS A 18 9.064 4.658 0.063 1.00 0.00 N ATOM 0 H LYS A 18 5.826 6.208 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 18 7.218 7.304 -5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.447 4.834 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.421 5.026 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.647 6.824 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.343 7.344 -2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.943 4.789 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.370 6.335 -1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.212 6.474 -0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.617 5.053 -1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.313 4.425 0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.437 3.782 -0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.831 5.162 0.552 1.00 0.00 H new ATOM 291 N SER A 19 5.210 4.704 -5.477 1.00 0.00 N ATOM 292 CA SER A 19 4.351 3.953 -6.392 1.00 0.00 C ATOM 293 C SER A 19 3.098 4.731 -6.816 1.00 0.00 C ATOM 294 O SER A 19 2.658 4.599 -7.959 1.00 0.00 O ATOM 295 CB SER A 19 3.938 2.644 -5.708 1.00 0.00 C ATOM 296 OG SER A 19 3.052 2.870 -4.628 1.00 0.00 O ATOM 0 H SER A 19 5.095 4.419 -4.504 1.00 0.00 H new ATOM 0 HA SER A 19 4.921 3.762 -7.301 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.462 1.988 -6.437 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.827 2.127 -5.346 1.00 0.00 H new ATOM 0 HG SER A 19 2.191 2.441 -4.816 1.00 0.00 H new ATOM 302 N ARG A 20 2.525 5.531 -5.900 1.00 0.00 N ATOM 303 CA ARG A 20 1.216 6.223 -5.943 1.00 0.00 C ATOM 304 C ARG A 20 0.009 5.333 -6.314 1.00 0.00 C ATOM 305 O ARG A 20 -1.084 5.843 -6.567 1.00 0.00 O ATOM 306 CB ARG A 20 1.290 7.569 -6.694 1.00 0.00 C ATOM 307 CG ARG A 20 1.490 7.475 -8.217 1.00 0.00 C ATOM 308 CD ARG A 20 1.317 8.833 -8.909 1.00 0.00 C ATOM 309 NE ARG A 20 -0.085 9.299 -8.884 1.00 0.00 N ATOM 310 CZ ARG A 20 -0.545 10.462 -9.312 1.00 0.00 C ATOM 311 NH1 ARG A 20 0.233 11.371 -9.829 1.00 0.00 N ATOM 312 NH2 ARG A 20 -1.815 10.737 -9.233 1.00 0.00 N ATOM 0 H ARG A 20 3.010 5.731 -5.025 1.00 0.00 H new ATOM 0 HA ARG A 20 0.993 6.477 -4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.371 8.123 -6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.109 8.153 -6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.486 7.086 -8.428 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.776 6.764 -8.632 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.952 9.571 -8.420 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.654 8.757 -9.943 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.772 8.654 -8.494 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.234 11.197 -9.914 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.160 12.257 -10.148 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.461 10.053 -8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.164 11.636 -9.565 1.00 0.00 H new ATOM 326 N THR A 21 0.196 4.014 -6.327 1.00 0.00 N ATOM 327 CA THR A 21 -0.814 2.957 -6.436 1.00 0.00 C ATOM 328 C THR A 21 -1.571 2.777 -5.109 1.00 0.00 C ATOM 329 O THR A 21 -1.209 3.384 -4.098 1.00 0.00 O ATOM 330 CB THR A 21 -0.109 1.640 -6.797 1.00 0.00 C ATOM 331 OG1 THR A 21 0.881 1.332 -5.845 1.00 0.00 O ATOM 332 CG2 THR A 21 0.616 1.687 -8.139 1.00 0.00 C ATOM 0 H THR A 21 1.135 3.623 -6.256 1.00 0.00 H new ATOM 0 HA THR A 21 -1.533 3.235 -7.206 1.00 0.00 H new ATOM 0 HB THR A 21 -0.907 0.898 -6.832 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.528 0.678 -5.206 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.091 0.725 -8.330 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.100 1.902 -8.932 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.376 2.468 -8.115 1.00 0.00 H new ATOM 340 N ILE A 22 -2.617 1.936 -5.077 1.00 0.00 N ATOM 341 CA ILE A 22 -3.295 1.543 -3.833 1.00 0.00 C ATOM 342 C ILE A 22 -3.240 0.020 -3.709 1.00 0.00 C ATOM 343 O ILE A 22 -3.817 -0.704 -4.518 1.00 0.00 O ATOM 344 CB ILE A 22 -4.735 2.089 -3.746 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.765 3.631 -3.888 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.389 1.660 -2.418 1.00 0.00 C ATOM 347 CD1 ILE A 22 -6.175 4.224 -3.996 1.00 0.00 C ATOM 0 H ILE A 22 -3.016 1.510 -5.913 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.774 1.991 -2.987 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.304 1.667 -4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.261 4.074 -3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.195 3.915 -4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.405 2.052 -2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.417 0.572 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.808 2.052 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.108 5.308 -4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.677 3.812 -4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.744 3.974 -3.101 1.00 0.00 H new ATOM 359 N PHE A 23 -2.554 -0.454 -2.678 1.00 0.00 N ATOM 360 CA PHE A 23 -2.471 -1.852 -2.253 1.00 0.00 C ATOM 361 C PHE A 23 -3.116 -2.053 -0.894 1.00 0.00 C ATOM 362 O PHE A 23 -3.608 -1.116 -0.264 1.00 0.00 O ATOM 363 CB PHE A 23 -1.025 -2.398 -2.308 1.00 0.00 C ATOM 364 CG PHE A 23 0.076 -1.372 -2.213 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.247 -0.651 -1.031 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.906 -1.113 -3.310 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.163 0.419 -0.987 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.861 -0.091 -3.256 1.00 0.00 C ATOM 369 CZ PHE A 23 1.970 0.697 -2.102 1.00 0.00 C ATOM 0 H PHE A 23 -2.006 0.162 -2.077 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.041 -2.443 -2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.898 -3.114 -1.496 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.901 -2.948 -3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.322 -0.912 -0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.809 -1.707 -4.207 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.244 1.025 -0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.511 0.089 -4.100 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.673 1.516 -2.070 1.00 0.00 H new ATOM 379 N GLU A 24 -3.184 -3.308 -0.465 1.00 0.00 N ATOM 380 CA GLU A 24 -3.674 -3.580 0.878 1.00 0.00 C ATOM 381 C GLU A 24 -2.591 -3.221 1.920 1.00 0.00 C ATOM 382 O GLU A 24 -1.404 -3.438 1.656 1.00 0.00 O ATOM 383 CB GLU A 24 -4.097 -5.035 1.044 1.00 0.00 C ATOM 384 CG GLU A 24 -5.183 -5.226 2.104 1.00 0.00 C ATOM 385 CD GLU A 24 -5.746 -6.653 2.031 1.00 0.00 C ATOM 386 OE1 GLU A 24 -5.166 -7.579 2.636 1.00 0.00 O ATOM 387 OE2 GLU A 24 -6.788 -6.835 1.362 1.00 0.00 O ATOM 0 H GLU A 24 -2.915 -4.129 -1.008 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.555 -2.959 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.460 -5.413 0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.226 -5.632 1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.771 -5.040 3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.984 -4.502 1.950 1.00 0.00 H new ATOM 394 N LYS A 25 -2.971 -2.796 3.135 1.00 0.00 N ATOM 395 CA LYS A 25 -2.062 -2.636 4.277 1.00 0.00 C ATOM 396 C LYS A 25 -1.343 -3.955 4.499 1.00 0.00 C ATOM 397 O LYS A 25 -0.119 -3.989 4.549 1.00 0.00 O ATOM 398 CB LYS A 25 -2.845 -2.242 5.545 1.00 0.00 C ATOM 399 CG LYS A 25 -1.906 -1.912 6.724 1.00 0.00 C ATOM 400 CD LYS A 25 -2.673 -1.744 8.046 1.00 0.00 C ATOM 401 CE LYS A 25 -3.088 -3.089 8.669 1.00 0.00 C ATOM 402 NZ LYS A 25 -1.981 -3.732 9.432 1.00 0.00 N ATOM 0 H LYS A 25 -3.936 -2.550 3.354 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.344 -1.843 4.067 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.474 -1.378 5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.510 -3.058 5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.168 -2.707 6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.358 -0.996 6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.051 -1.197 8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.563 -1.140 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.938 -2.931 9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.421 -3.764 7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.339 -4.581 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.219 -4.001 8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.611 -3.063 10.137 1.00 0.00 H new ATOM 416 N SER A 26 -2.113 -5.043 4.555 1.00 0.00 N ATOM 417 CA SER A 26 -1.595 -6.358 4.922 1.00 0.00 C ATOM 418 C SER A 26 -0.704 -6.981 3.844 1.00 0.00 C ATOM 419 O SER A 26 0.264 -7.670 4.169 1.00 0.00 O ATOM 420 CB SER A 26 -2.739 -7.308 5.286 1.00 0.00 C ATOM 421 OG SER A 26 -3.555 -6.724 6.291 1.00 0.00 O ATOM 0 H SER A 26 -3.112 -5.035 4.347 1.00 0.00 H new ATOM 0 HA SER A 26 -0.962 -6.204 5.796 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.337 -7.526 4.401 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.336 -8.257 5.639 1.00 0.00 H new ATOM 0 HG SER A 26 -4.285 -7.337 6.517 1.00 0.00 H new ATOM 427 N LEU A 27 -0.981 -6.713 2.559 1.00 0.00 N ATOM 428 CA LEU A 27 -0.137 -7.156 1.450 1.00 0.00 C ATOM 429 C LEU A 27 1.190 -6.374 1.402 1.00 0.00 C ATOM 430 O LEU A 27 2.251 -6.977 1.239 1.00 0.00 O ATOM 431 CB LEU A 27 -0.863 -7.018 0.100 1.00 0.00 C ATOM 432 CG LEU A 27 -2.166 -7.798 -0.175 1.00 0.00 C ATOM 433 CD1 LEU A 27 -2.352 -7.905 -1.675 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.248 -9.174 0.470 1.00 0.00 C ATOM 0 H LEU A 27 -1.800 -6.181 2.264 1.00 0.00 H new ATOM 0 HA LEU A 27 0.083 -8.209 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.087 -5.960 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.152 -7.297 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.971 -7.232 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.269 -8.454 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.418 -6.906 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.503 -8.432 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.201 -9.639 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.432 -9.797 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.170 -9.074 1.553 1.00 0.00 H new ATOM 446 N LEU A 28 1.147 -5.044 1.570 1.00 0.00 N ATOM 447 CA LEU A 28 2.356 -4.218 1.632 1.00 0.00 C ATOM 448 C LEU A 28 3.183 -4.602 2.865 1.00 0.00 C ATOM 449 O LEU A 28 4.391 -4.765 2.758 1.00 0.00 O ATOM 450 CB LEU A 28 2.024 -2.717 1.671 1.00 0.00 C ATOM 451 CG LEU A 28 3.299 -1.838 1.612 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.896 -1.796 0.205 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.973 -0.432 2.102 1.00 0.00 C ATOM 0 H LEU A 28 0.279 -4.517 1.666 1.00 0.00 H new ATOM 0 HA LEU A 28 2.933 -4.404 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.373 -2.468 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.470 -2.492 2.583 1.00 0.00 H new ATOM 0 HG LEU A 28 4.050 -2.283 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.788 -1.170 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.162 -2.806 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.164 -1.383 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.870 0.185 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.202 0.005 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.613 -0.479 3.130 1.00 0.00 H new ATOM 465 N GLU A 29 2.538 -4.786 4.021 1.00 0.00 N ATOM 466 CA GLU A 29 3.159 -5.184 5.293 1.00 0.00 C ATOM 467 C GLU A 29 3.972 -6.482 5.138 1.00 0.00 C ATOM 468 O GLU A 29 5.095 -6.580 5.636 1.00 0.00 O ATOM 469 CB GLU A 29 2.071 -5.306 6.370 1.00 0.00 C ATOM 470 CG GLU A 29 2.602 -5.553 7.785 1.00 0.00 C ATOM 471 CD GLU A 29 1.452 -5.642 8.811 1.00 0.00 C ATOM 472 OE1 GLU A 29 0.519 -4.798 8.778 1.00 0.00 O ATOM 473 OE2 GLU A 29 1.480 -6.555 9.672 1.00 0.00 O ATOM 0 H GLU A 29 1.529 -4.657 4.102 1.00 0.00 H new ATOM 0 HA GLU A 29 3.868 -4.417 5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.477 -4.392 6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.400 -6.122 6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.179 -6.477 7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.281 -4.748 8.066 1.00 0.00 H new ATOM 480 N GLN A 30 3.452 -7.443 4.368 1.00 0.00 N ATOM 481 CA GLN A 30 4.180 -8.662 4.004 1.00 0.00 C ATOM 482 C GLN A 30 5.448 -8.343 3.196 1.00 0.00 C ATOM 483 O GLN A 30 6.546 -8.787 3.534 1.00 0.00 O ATOM 484 CB GLN A 30 3.248 -9.595 3.216 1.00 0.00 C ATOM 485 CG GLN A 30 3.782 -11.033 3.171 1.00 0.00 C ATOM 486 CD GLN A 30 2.824 -11.966 2.430 1.00 0.00 C ATOM 487 OE1 GLN A 30 1.934 -12.578 3.006 1.00 0.00 O ATOM 488 NE2 GLN A 30 2.963 -12.114 1.127 1.00 0.00 N ATOM 0 H GLN A 30 2.511 -7.397 3.978 1.00 0.00 H new ATOM 0 HA GLN A 30 4.502 -9.161 4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.258 -9.589 3.672 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.132 -9.219 2.200 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.755 -11.045 2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.933 -11.398 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.700 -11.611 0.632 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.334 -12.731 0.614 1.00 0.00 H new ATOM 497 N TYR A 31 5.310 -7.549 2.132 1.00 0.00 N ATOM 498 CA TYR A 31 6.397 -7.236 1.196 1.00 0.00 C ATOM 499 C TYR A 31 7.498 -6.385 1.851 1.00 0.00 C ATOM 500 O TYR A 31 8.697 -6.570 1.615 1.00 0.00 O ATOM 501 CB TYR A 31 5.776 -6.536 -0.019 1.00 0.00 C ATOM 502 CG TYR A 31 6.730 -6.292 -1.173 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.345 -7.376 -1.826 1.00 0.00 C ATOM 504 CD2 TYR A 31 6.982 -4.983 -1.612 1.00 0.00 C ATOM 505 CE1 TYR A 31 8.178 -7.153 -2.943 1.00 0.00 C ATOM 506 CE2 TYR A 31 7.865 -4.762 -2.684 1.00 0.00 C ATOM 507 CZ TYR A 31 8.455 -5.840 -3.365 1.00 0.00 C ATOM 508 OH TYR A 31 9.288 -5.600 -4.416 1.00 0.00 O ATOM 0 H TYR A 31 4.428 -7.098 1.891 1.00 0.00 H new ATOM 0 HA TYR A 31 6.892 -8.155 0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.941 -7.137 -0.378 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.365 -5.579 0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.179 -8.382 -1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.499 -4.147 -1.128 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.603 -7.991 -3.475 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.092 -3.751 -2.988 1.00 0.00 H new ATOM 0 HH TYR A 31 9.359 -4.634 -4.563 1.00 0.00 H new ATOM 518 N VAL A 32 7.094 -5.482 2.743 1.00 0.00 N ATOM 519 CA VAL A 32 7.968 -4.520 3.418 1.00 0.00 C ATOM 520 C VAL A 32 8.667 -5.104 4.663 1.00 0.00 C ATOM 521 O VAL A 32 9.656 -4.557 5.148 1.00 0.00 O ATOM 522 CB VAL A 32 7.170 -3.228 3.701 1.00 0.00 C ATOM 523 CG1 VAL A 32 6.325 -3.340 4.971 1.00 0.00 C ATOM 524 CG2 VAL A 32 8.017 -1.971 3.850 1.00 0.00 C ATOM 0 H VAL A 32 6.118 -5.396 3.026 1.00 0.00 H new ATOM 0 HA VAL A 32 8.796 -4.270 2.754 1.00 0.00 H new ATOM 0 HB VAL A 32 6.549 -3.127 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.782 -2.409 5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.615 -4.160 4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.975 -3.531 5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.369 -1.117 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.713 -2.097 4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.576 -1.798 2.931 1.00 0.00 H new ATOM 534 N LYS A 33 8.194 -6.247 5.168 1.00 0.00 N ATOM 535 CA LYS A 33 8.896 -7.051 6.194 1.00 0.00 C ATOM 536 C LYS A 33 9.714 -8.187 5.557 1.00 0.00 C ATOM 537 O LYS A 33 10.582 -8.765 6.208 1.00 0.00 O ATOM 538 CB LYS A 33 7.941 -7.509 7.314 1.00 0.00 C ATOM 539 CG LYS A 33 7.104 -8.759 6.992 1.00 0.00 C ATOM 540 CD LYS A 33 5.982 -9.006 8.011 1.00 0.00 C ATOM 541 CE LYS A 33 6.527 -9.313 9.412 1.00 0.00 C ATOM 542 NZ LYS A 33 5.428 -9.579 10.379 1.00 0.00 N ATOM 0 H LYS A 33 7.304 -6.652 4.878 1.00 0.00 H new ATOM 0 HA LYS A 33 9.626 -6.411 6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.527 -7.706 8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.263 -6.688 7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.669 -8.652 5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.758 -9.630 6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.337 -8.128 8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.364 -9.838 7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.188 -10.178 9.365 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.126 -8.473 9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.831 -9.783 11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.811 -8.744 10.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.872 -10.396 10.056 1.00 0.00 H new ATOM 556 N ASP A 34 9.486 -8.458 4.267 1.00 0.00 N ATOM 557 CA ASP A 34 10.292 -9.347 3.414 1.00 0.00 C ATOM 558 C ASP A 34 11.616 -8.683 3.011 1.00 0.00 C ATOM 559 O ASP A 34 12.698 -9.212 3.276 1.00 0.00 O ATOM 560 CB ASP A 34 9.505 -9.710 2.139 1.00 0.00 C ATOM 561 CG ASP A 34 9.186 -11.212 2.046 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.138 -12.030 2.076 1.00 0.00 O ATOM 563 OD2 ASP A 34 7.996 -11.588 1.912 1.00 0.00 O ATOM 0 H ASP A 34 8.700 -8.046 3.764 1.00 0.00 H new ATOM 0 HA ASP A 34 10.512 -10.247 3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.574 -9.143 2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.081 -9.410 1.264 1.00 0.00 H new ATOM 568 N THR A 35 11.522 -7.514 2.364 1.00 0.00 N ATOM 569 CA THR A 35 12.664 -6.756 1.812 1.00 0.00 C ATOM 570 C THR A 35 12.618 -5.279 2.182 1.00 0.00 C ATOM 571 O THR A 35 13.643 -4.597 2.164 1.00 0.00 O ATOM 572 CB THR A 35 12.715 -6.841 0.277 1.00 0.00 C ATOM 573 OG1 THR A 35 11.531 -6.309 -0.277 1.00 0.00 O ATOM 574 CG2 THR A 35 12.900 -8.261 -0.255 1.00 0.00 C ATOM 0 H THR A 35 10.627 -7.052 2.203 1.00 0.00 H new ATOM 0 HA THR A 35 13.549 -7.217 2.250 1.00 0.00 H new ATOM 0 HB THR A 35 13.589 -6.262 -0.022 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.573 -6.366 -1.254 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.926 -8.241 -1.344 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.836 -8.672 0.123 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.070 -8.885 0.076 1.00 0.00 H new ATOM 582 N GLY A 36 11.427 -4.772 2.511 1.00 0.00 N ATOM 583 CA GLY A 36 11.168 -3.352 2.712 1.00 0.00 C ATOM 584 C GLY A 36 10.828 -2.615 1.419 1.00 0.00 C ATOM 585 O GLY A 36 10.379 -1.478 1.472 1.00 0.00 O ATOM 0 H GLY A 36 10.600 -5.354 2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.345 -3.235 3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.044 -2.890 3.167 1.00 0.00 H new ATOM 589 N ASN A 37 11.012 -3.221 0.252 1.00 0.00 N ATOM 590 CA ASN A 37 10.892 -2.516 -1.020 1.00 0.00 C ATOM 591 C ASN A 37 9.472 -1.976 -1.304 1.00 0.00 C ATOM 592 O ASN A 37 8.472 -2.483 -0.799 1.00 0.00 O ATOM 593 CB ASN A 37 11.326 -3.495 -2.124 1.00 0.00 C ATOM 594 CG ASN A 37 12.810 -3.838 -2.119 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.636 -3.230 -1.449 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.203 -4.828 -2.889 1.00 0.00 N ATOM 0 H ASN A 37 11.247 -4.209 0.160 1.00 0.00 H new ATOM 0 HA ASN A 37 11.528 -1.632 -0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.753 -4.416 -2.020 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.069 -3.067 -3.093 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.189 -5.085 -2.926 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.522 -5.339 -3.450 1.00 0.00 H new ATOM 603 N ASP A 38 9.382 -0.937 -2.133 1.00 0.00 N ATOM 604 CA ASP A 38 8.129 -0.454 -2.726 1.00 0.00 C ATOM 605 C ASP A 38 7.840 -1.344 -3.959 1.00 0.00 C ATOM 606 O ASP A 38 8.732 -1.522 -4.793 1.00 0.00 O ATOM 607 CB ASP A 38 8.265 1.012 -3.152 1.00 0.00 C ATOM 608 CG ASP A 38 8.233 1.951 -1.943 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.132 2.207 -1.399 1.00 0.00 O ATOM 610 OD2 ASP A 38 9.302 2.453 -1.541 1.00 0.00 O ATOM 0 H ASP A 38 10.196 -0.393 -2.420 1.00 0.00 H new ATOM 0 HA ASP A 38 7.315 -0.511 -2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.199 1.149 -3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.457 1.270 -3.836 1.00 0.00 H new ATOM 615 N PRO A 39 6.631 -1.899 -4.143 1.00 0.00 N ATOM 616 CA PRO A 39 6.342 -2.935 -5.156 1.00 0.00 C ATOM 617 C PRO A 39 6.447 -2.494 -6.634 1.00 0.00 C ATOM 618 O PRO A 39 6.291 -3.332 -7.523 1.00 0.00 O ATOM 619 CB PRO A 39 4.934 -3.436 -4.808 1.00 0.00 C ATOM 620 CG PRO A 39 4.295 -2.220 -4.146 1.00 0.00 C ATOM 621 CD PRO A 39 5.445 -1.624 -3.349 1.00 0.00 C ATOM 0 HA PRO A 39 7.108 -3.708 -5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.385 -3.748 -5.696 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.965 -4.293 -4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.906 -1.517 -4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.461 -2.502 -3.503 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.309 -0.553 -3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.517 -2.077 -2.360 1.00 0.00 H new ATOM 629 N ILE A 40 6.701 -1.206 -6.915 1.00 0.00 N ATOM 630 CA ILE A 40 6.750 -0.623 -8.274 1.00 0.00 C ATOM 631 C ILE A 40 8.153 -0.104 -8.621 1.00 0.00 C ATOM 632 O ILE A 40 8.635 -0.312 -9.735 1.00 0.00 O ATOM 633 CB ILE A 40 5.676 0.487 -8.411 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.232 -0.036 -8.220 1.00 0.00 C ATOM 635 CG2 ILE A 40 5.777 1.245 -9.749 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.787 -1.135 -9.192 1.00 0.00 C ATOM 0 H ILE A 40 6.884 -0.518 -6.185 1.00 0.00 H new ATOM 0 HA ILE A 40 6.526 -1.410 -8.994 1.00 0.00 H new ATOM 0 HB ILE A 40 5.892 1.182 -7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.135 -0.415 -7.203 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.545 0.805 -8.313 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.002 2.011 -9.793 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.757 1.716 -9.828 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.643 0.546 -10.574 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.761 -1.426 -8.967 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.843 -0.761 -10.214 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.441 -2.001 -9.086 1.00 0.00 H new ATOM 648 N THR A 41 8.822 0.550 -7.667 1.00 0.00 N ATOM 649 CA THR A 41 10.156 1.169 -7.836 1.00 0.00 C ATOM 650 C THR A 41 11.291 0.376 -7.175 1.00 0.00 C ATOM 651 O THR A 41 12.460 0.685 -7.401 1.00 0.00 O ATOM 652 CB THR A 41 10.185 2.616 -7.328 1.00 0.00 C ATOM 653 OG1 THR A 41 9.590 2.661 -6.061 1.00 0.00 O ATOM 654 CG2 THR A 41 9.394 3.566 -8.228 1.00 0.00 C ATOM 0 H THR A 41 8.447 0.671 -6.726 1.00 0.00 H new ATOM 0 HA THR A 41 10.331 1.159 -8.912 1.00 0.00 H new ATOM 0 HB THR A 41 11.228 2.931 -7.312 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.816 3.261 -6.084 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.446 4.577 -7.825 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.818 3.554 -9.232 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.353 3.245 -8.270 1.00 0.00 H new ATOM 662 N ASN A 42 10.970 -0.650 -6.376 1.00 0.00 N ATOM 663 CA ASN A 42 11.840 -1.425 -5.480 1.00 0.00 C ATOM 664 C ASN A 42 12.726 -0.595 -4.527 1.00 0.00 C ATOM 665 O ASN A 42 13.734 -1.084 -4.016 1.00 0.00 O ATOM 666 CB ASN A 42 12.503 -2.616 -6.212 1.00 0.00 C ATOM 667 CG ASN A 42 13.966 -2.461 -6.621 1.00 0.00 C ATOM 668 OD1 ASN A 42 14.790 -3.337 -6.387 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.346 -1.390 -7.281 1.00 0.00 N ATOM 0 H ASN A 42 10.009 -0.990 -6.336 1.00 0.00 H new ATOM 0 HA ASN A 42 11.189 -1.893 -4.742 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.424 -3.493 -5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.922 -2.825 -7.110 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.314 -1.298 -7.590 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.673 -0.651 -7.484 1.00 0.00 H new ATOM 676 N GLU A 43 12.339 0.652 -4.249 1.00 0.00 N ATOM 677 CA GLU A 43 13.046 1.530 -3.309 1.00 0.00 C ATOM 678 C GLU A 43 12.957 0.969 -1.874 1.00 0.00 C ATOM 679 O GLU A 43 11.865 0.571 -1.458 1.00 0.00 O ATOM 680 CB GLU A 43 12.424 2.929 -3.381 1.00 0.00 C ATOM 681 CG GLU A 43 12.678 3.601 -4.737 1.00 0.00 C ATOM 682 CD GLU A 43 13.833 4.620 -4.665 1.00 0.00 C ATOM 683 OE1 GLU A 43 15.008 4.195 -4.535 1.00 0.00 O ATOM 684 OE2 GLU A 43 13.578 5.847 -4.736 1.00 0.00 O ATOM 0 H GLU A 43 11.519 1.086 -4.673 1.00 0.00 H new ATOM 0 HA GLU A 43 14.101 1.585 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.350 2.858 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.836 3.550 -2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.911 2.840 -5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.770 4.104 -5.069 1.00 0.00 H new ATOM 691 N PRO A 44 14.063 0.881 -1.111 1.00 0.00 N ATOM 692 CA PRO A 44 14.073 0.223 0.196 1.00 0.00 C ATOM 693 C PRO A 44 13.303 1.022 1.260 1.00 0.00 C ATOM 694 O PRO A 44 13.550 2.214 1.455 1.00 0.00 O ATOM 695 CB PRO A 44 15.555 0.059 0.554 1.00 0.00 C ATOM 696 CG PRO A 44 16.240 1.200 -0.200 1.00 0.00 C ATOM 697 CD PRO A 44 15.401 1.326 -1.470 1.00 0.00 C ATOM 0 HA PRO A 44 13.561 -0.739 0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.718 0.135 1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.937 -0.913 0.242 1.00 0.00 H new ATOM 0 HG2 PRO A 44 16.238 2.124 0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.281 0.967 -0.425 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.387 2.355 -1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.814 0.715 -2.273 1.00 0.00 H new ATOM 705 N LEU A 45 12.412 0.324 1.974 1.00 0.00 N ATOM 706 CA LEU A 45 11.430 0.807 2.968 1.00 0.00 C ATOM 707 C LEU A 45 10.253 1.584 2.339 1.00 0.00 C ATOM 708 O LEU A 45 10.413 2.399 1.431 1.00 0.00 O ATOM 709 CB LEU A 45 12.088 1.500 4.178 1.00 0.00 C ATOM 710 CG LEU A 45 12.868 0.509 5.064 1.00 0.00 C ATOM 711 CD1 LEU A 45 13.873 1.257 5.940 1.00 0.00 C ATOM 712 CD2 LEU A 45 11.935 -0.287 5.985 1.00 0.00 C ATOM 0 H LEU A 45 12.350 -0.688 1.865 1.00 0.00 H new ATOM 0 HA LEU A 45 10.962 -0.084 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.764 2.279 3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.320 1.991 4.775 1.00 0.00 H new ATOM 0 HG LEU A 45 13.381 -0.179 4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.416 0.544 6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.577 1.797 5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.344 1.964 6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.523 -0.974 6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.393 0.400 6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.225 -0.853 5.382 1.00 0.00 H new ATOM 724 N SER A 46 9.050 1.323 2.863 1.00 0.00 N ATOM 725 CA SER A 46 7.742 1.739 2.340 1.00 0.00 C ATOM 726 C SER A 46 6.840 2.220 3.472 1.00 0.00 C ATOM 727 O SER A 46 6.339 3.339 3.459 1.00 0.00 O ATOM 728 CB SER A 46 7.076 0.589 1.579 1.00 0.00 C ATOM 729 OG SER A 46 6.061 1.085 0.733 1.00 0.00 O ATOM 0 H SER A 46 8.957 0.779 3.721 1.00 0.00 H new ATOM 0 HA SER A 46 7.898 2.566 1.648 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.821 0.054 0.990 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.654 -0.127 2.284 1.00 0.00 H new ATOM 0 HG SER A 46 6.438 1.761 0.131 1.00 0.00 H new ATOM 735 N ILE A 47 6.717 1.390 4.508 1.00 0.00 N ATOM 736 CA ILE A 47 6.015 1.629 5.772 1.00 0.00 C ATOM 737 C ILE A 47 6.461 2.875 6.539 1.00 0.00 C ATOM 738 O ILE A 47 5.636 3.600 7.091 1.00 0.00 O ATOM 739 CB ILE A 47 6.087 0.341 6.633 1.00 0.00 C ATOM 740 CG1 ILE A 47 5.142 0.331 7.847 1.00 0.00 C ATOM 741 CG2 ILE A 47 7.517 0.030 7.121 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.676 0.368 7.421 1.00 0.00 C ATOM 0 H ILE A 47 7.138 0.461 4.485 1.00 0.00 H new ATOM 0 HA ILE A 47 4.978 1.856 5.526 1.00 0.00 H new ATOM 0 HB ILE A 47 5.754 -0.437 5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.325 -0.563 8.444 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.358 1.189 8.484 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.507 -0.882 7.718 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.173 -0.106 6.261 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.882 0.858 7.728 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.040 0.360 8.306 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.487 1.275 6.846 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.454 -0.504 6.806 1.00 0.00 H new ATOM 754 N GLU A 48 7.748 3.200 6.470 1.00 0.00 N ATOM 755 CA GLU A 48 8.343 4.430 7.002 1.00 0.00 C ATOM 756 C GLU A 48 7.845 5.682 6.258 1.00 0.00 C ATOM 757 O GLU A 48 8.089 6.811 6.689 1.00 0.00 O ATOM 758 CB GLU A 48 9.877 4.339 6.909 1.00 0.00 C ATOM 759 CG GLU A 48 10.495 3.264 7.817 1.00 0.00 C ATOM 760 CD GLU A 48 10.348 3.613 9.312 1.00 0.00 C ATOM 761 OE1 GLU A 48 11.176 4.393 9.843 1.00 0.00 O ATOM 762 OE2 GLU A 48 9.410 3.105 9.973 1.00 0.00 O ATOM 0 H GLU A 48 8.436 2.592 6.025 1.00 0.00 H new ATOM 0 HA GLU A 48 8.036 4.527 8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.157 4.132 5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.305 5.308 7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.016 2.305 7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.551 3.149 7.574 1.00 0.00 H new ATOM 769 N GLU A 49 7.129 5.483 5.145 1.00 0.00 N ATOM 770 CA GLU A 49 6.633 6.534 4.244 1.00 0.00 C ATOM 771 C GLU A 49 5.149 6.346 3.859 1.00 0.00 C ATOM 772 O GLU A 49 4.634 7.035 2.975 1.00 0.00 O ATOM 773 CB GLU A 49 7.564 6.620 3.014 1.00 0.00 C ATOM 774 CG GLU A 49 8.957 7.156 3.382 1.00 0.00 C ATOM 775 CD GLU A 49 9.817 7.398 2.128 1.00 0.00 C ATOM 776 OE1 GLU A 49 10.466 6.439 1.645 1.00 0.00 O ATOM 777 OE2 GLU A 49 9.840 8.542 1.616 1.00 0.00 O ATOM 0 H GLU A 49 6.868 4.548 4.833 1.00 0.00 H new ATOM 0 HA GLU A 49 6.658 7.487 4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.663 5.632 2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.113 7.268 2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.854 8.087 3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.460 6.446 4.038 1.00 0.00 H new ATOM 784 N ILE A 50 4.454 5.420 4.528 1.00 0.00 N ATOM 785 CA ILE A 50 3.075 5.022 4.226 1.00 0.00 C ATOM 786 C ILE A 50 2.043 6.160 4.306 1.00 0.00 C ATOM 787 O ILE A 50 2.109 7.068 5.139 1.00 0.00 O ATOM 788 CB ILE A 50 2.669 3.840 5.132 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.427 3.111 4.590 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.460 4.267 6.599 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.308 1.688 5.142 1.00 0.00 C ATOM 0 H ILE A 50 4.848 4.911 5.319 1.00 0.00 H new ATOM 0 HA ILE A 50 3.067 4.718 3.179 1.00 0.00 H new ATOM 0 HB ILE A 50 3.505 3.140 5.117 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.533 3.677 4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.475 3.074 3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.176 3.399 7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.386 4.688 6.991 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.670 5.017 6.651 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.417 1.212 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.190 1.113 4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.233 1.724 6.229 1.00 0.00 H new ATOM 803 N VAL A 51 1.040 6.036 3.443 1.00 0.00 N ATOM 804 CA VAL A 51 -0.208 6.811 3.388 1.00 0.00 C ATOM 805 C VAL A 51 -1.391 5.840 3.508 1.00 0.00 C ATOM 806 O VAL A 51 -1.843 5.266 2.518 1.00 0.00 O ATOM 807 CB VAL A 51 -0.279 7.673 2.108 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.570 8.503 2.047 1.00 0.00 C ATOM 809 CG2 VAL A 51 0.899 8.656 2.017 1.00 0.00 C ATOM 0 H VAL A 51 1.076 5.336 2.702 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.246 7.514 4.221 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.247 6.966 1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.579 9.094 1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.432 7.836 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.616 9.168 2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.813 9.244 1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.884 9.322 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.837 8.100 2.004 1.00 0.00 H new ATOM 819 N GLU A 52 -1.875 5.595 4.726 1.00 0.00 N ATOM 820 CA GLU A 52 -3.051 4.742 4.961 1.00 0.00 C ATOM 821 C GLU A 52 -4.350 5.500 4.623 1.00 0.00 C ATOM 822 O GLU A 52 -4.575 6.612 5.114 1.00 0.00 O ATOM 823 CB GLU A 52 -3.093 4.218 6.411 1.00 0.00 C ATOM 824 CG GLU A 52 -1.782 3.598 6.921 1.00 0.00 C ATOM 825 CD GLU A 52 -1.947 3.111 8.372 1.00 0.00 C ATOM 826 OE1 GLU A 52 -2.382 1.953 8.583 1.00 0.00 O ATOM 827 OE2 GLU A 52 -1.645 3.885 9.313 1.00 0.00 O ATOM 0 H GLU A 52 -1.467 5.979 5.579 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.968 3.880 4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.367 5.042 7.070 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.883 3.471 6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.494 2.764 6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.979 4.333 6.867 1.00 0.00 H new ATOM 834 N ILE A 53 -5.202 4.915 3.775 1.00 0.00 N ATOM 835 CA ILE A 53 -6.465 5.503 3.295 1.00 0.00 C ATOM 836 C ILE A 53 -7.645 4.940 4.114 1.00 0.00 C ATOM 837 O ILE A 53 -7.619 3.792 4.563 1.00 0.00 O ATOM 838 CB ILE A 53 -6.616 5.246 1.769 1.00 0.00 C ATOM 839 CG1 ILE A 53 -5.424 5.855 0.983 1.00 0.00 C ATOM 840 CG2 ILE A 53 -7.941 5.805 1.220 1.00 0.00 C ATOM 841 CD1 ILE A 53 -5.332 5.396 -0.477 1.00 0.00 C ATOM 0 H ILE A 53 -5.029 3.987 3.388 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.459 6.583 3.440 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.621 4.165 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.506 6.942 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.496 5.595 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.006 5.604 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.777 5.327 1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.980 6.881 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.473 5.868 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.216 4.313 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.242 5.681 -1.006 1.00 0.00 H new ATOM 853 N VAL A 54 -8.697 5.743 4.315 1.00 0.00 N ATOM 854 CA VAL A 54 -9.932 5.365 5.034 1.00 0.00 C ATOM 855 C VAL A 54 -10.625 4.178 4.325 1.00 0.00 C ATOM 856 O VAL A 54 -11.014 4.334 3.163 1.00 0.00 O ATOM 857 CB VAL A 54 -10.892 6.567 5.164 1.00 0.00 C ATOM 858 CG1 VAL A 54 -12.138 6.202 5.982 1.00 0.00 C ATOM 859 CG2 VAL A 54 -10.218 7.750 5.876 1.00 0.00 C ATOM 0 H VAL A 54 -8.719 6.704 3.974 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.658 5.053 6.042 1.00 0.00 H new ATOM 0 HB VAL A 54 -11.169 6.842 4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -12.793 7.070 6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.669 5.387 5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -11.838 5.889 6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.922 8.579 5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.910 7.445 6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.344 8.067 5.307 1.00 0.00 H new ATOM 869 N PRO A 55 -10.789 2.997 4.965 1.00 0.00 N ATOM 870 CA PRO A 55 -11.367 1.799 4.330 1.00 0.00 C ATOM 871 C PRO A 55 -12.782 1.949 3.746 1.00 0.00 C ATOM 872 O PRO A 55 -13.148 1.210 2.830 1.00 0.00 O ATOM 873 CB PRO A 55 -11.350 0.710 5.409 1.00 0.00 C ATOM 874 CG PRO A 55 -10.202 1.133 6.319 1.00 0.00 C ATOM 875 CD PRO A 55 -10.296 2.655 6.293 1.00 0.00 C ATOM 0 HA PRO A 55 -10.766 1.566 3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.296 0.665 5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.180 -0.278 4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.318 0.737 7.328 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.240 0.780 5.947 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.972 3.019 7.067 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.323 3.111 6.479 1.00 0.00 H new ATOM 883 N SER A 56 -13.581 2.897 4.247 1.00 0.00 N ATOM 884 CA SER A 56 -14.957 3.192 3.812 1.00 0.00 C ATOM 885 C SER A 56 -15.050 3.469 2.305 1.00 0.00 C ATOM 886 O SER A 56 -16.133 3.388 1.710 1.00 0.00 O ATOM 887 CB SER A 56 -15.511 4.392 4.591 1.00 0.00 C ATOM 888 OG SER A 56 -15.395 4.186 5.993 1.00 0.00 O ATOM 0 H SER A 56 -13.275 3.510 5.002 1.00 0.00 H new ATOM 0 HA SER A 56 -15.554 2.304 4.020 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.971 5.295 4.307 1.00 0.00 H new ATOM 0 HB3 SER A 56 -16.557 4.549 4.328 1.00 0.00 H new ATOM 0 HG SER A 56 -15.753 4.964 6.469 1.00 0.00 H new TER 894 SER A 56