USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 415 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 SER OG : rot -27:sc= 0.351 USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 22 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.5) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0316 K(o=-0.032,f=-2.3) USER MOD Single : A 28 SER OG : rot -43:sc= 0.0658 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -1.6 USER MOD Single : A 39 SER OG : rot 150:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.397 K(o=-0.4,f=-3.2!) USER MOD Single : A 46 ASN : amide:sc= -2.07 K(o=-2.1,f=-9.5!) USER MOD Single : A 47 ASN : amide:sc= 0.514 K(o=0.51,f=-0.073) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N SER A 6 46.790 9.266 9.486 1.00 0.00 N ATOM 77 CA SER A 6 48.162 9.035 8.945 1.00 0.00 C ATOM 78 C SER A 6 48.262 7.639 8.327 1.00 0.00 C ATOM 79 O SER A 6 49.231 6.933 8.533 1.00 0.00 O ATOM 80 CB SER A 6 49.089 9.152 10.157 1.00 0.00 C ATOM 81 OG SER A 6 48.628 8.290 11.191 1.00 0.00 O ATOM 0 HA SER A 6 48.421 9.747 8.161 1.00 0.00 H new ATOM 0 HB2 SER A 6 50.108 8.887 9.876 1.00 0.00 H new ATOM 0 HB3 SER A 6 49.113 10.182 10.512 1.00 0.00 H new ATOM 0 HG SER A 6 47.662 8.155 11.098 1.00 0.00 H new ATOM 87 N TRP A 7 47.269 7.231 7.572 1.00 0.00 N ATOM 88 CA TRP A 7 47.317 5.873 6.946 1.00 0.00 C ATOM 89 C TRP A 7 46.628 5.852 5.576 1.00 0.00 C ATOM 90 O TRP A 7 46.361 4.793 5.037 1.00 0.00 O ATOM 91 CB TRP A 7 46.588 4.943 7.923 1.00 0.00 C ATOM 92 CG TRP A 7 45.189 5.426 8.164 1.00 0.00 C ATOM 93 CD1 TRP A 7 44.822 6.258 9.164 1.00 0.00 C ATOM 94 CD2 TRP A 7 43.973 5.115 7.423 1.00 0.00 C ATOM 95 NE1 TRP A 7 43.459 6.484 9.082 1.00 0.00 N ATOM 96 CE2 TRP A 7 42.891 5.800 8.026 1.00 0.00 C ATOM 97 CE3 TRP A 7 43.706 4.316 6.297 1.00 0.00 C ATOM 98 CZ2 TRP A 7 41.591 5.696 7.531 1.00 0.00 C ATOM 99 CZ3 TRP A 7 42.397 4.208 5.796 1.00 0.00 C ATOM 100 CH2 TRP A 7 41.343 4.896 6.413 1.00 0.00 C ATOM 0 H TRP A 7 46.433 7.777 7.364 1.00 0.00 H new ATOM 0 HA TRP A 7 48.347 5.563 6.771 1.00 0.00 H new ATOM 0 HB2 TRP A 7 46.565 3.930 7.521 1.00 0.00 H new ATOM 0 HB3 TRP A 7 47.132 4.899 8.867 1.00 0.00 H new ATOM 0 HD1 TRP A 7 45.485 6.678 9.906 1.00 0.00 H new ATOM 0 HE1 TRP A 7 42.938 7.082 9.723 1.00 0.00 H new ATOM 0 HE3 TRP A 7 44.511 3.782 5.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 40.783 6.230 8.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 42.202 3.592 4.931 1.00 0.00 H new ATOM 0 HH2 TRP A 7 40.339 4.808 6.024 1.00 0.00 H new ATOM 111 N CYS A 8 46.348 6.997 4.999 1.00 0.00 N ATOM 112 CA CYS A 8 45.692 7.007 3.657 1.00 0.00 C ATOM 113 C CYS A 8 46.762 7.024 2.563 1.00 0.00 C ATOM 114 O CYS A 8 46.701 6.260 1.618 1.00 0.00 O ATOM 115 CB CYS A 8 44.833 8.277 3.618 1.00 0.00 C ATOM 116 SG CYS A 8 44.029 8.467 1.990 1.00 0.00 S ATOM 0 H CYS A 8 46.544 7.916 5.397 1.00 0.00 H new ATOM 0 HA CYS A 8 45.078 6.122 3.489 1.00 0.00 H new ATOM 0 HB2 CYS A 8 44.075 8.233 4.400 1.00 0.00 H new ATOM 0 HB3 CYS A 8 45.454 9.148 3.826 1.00 0.00 H new ATOM 121 N LEU A 9 47.745 7.879 2.687 1.00 0.00 N ATOM 122 CA LEU A 9 48.824 7.929 1.655 1.00 0.00 C ATOM 123 C LEU A 9 50.122 7.321 2.215 1.00 0.00 C ATOM 124 O LEU A 9 51.205 7.597 1.735 1.00 0.00 O ATOM 125 CB LEU A 9 48.999 9.419 1.317 1.00 0.00 C ATOM 126 CG LEU A 9 49.566 10.186 2.530 1.00 0.00 C ATOM 127 CD1 LEU A 9 50.977 10.693 2.214 1.00 0.00 C ATOM 128 CD2 LEU A 9 48.666 11.381 2.861 1.00 0.00 C ATOM 0 H LEU A 9 47.847 8.542 3.455 1.00 0.00 H new ATOM 0 HA LEU A 9 48.573 7.353 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 9 49.670 9.528 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 9 48.040 9.847 1.025 1.00 0.00 H new ATOM 0 HG LEU A 9 49.603 9.510 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 9 51.371 11.233 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 9 51.626 9.847 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 9 50.940 11.360 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 9 49.073 11.917 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 9 48.620 12.051 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 9 47.663 11.026 3.098 1.00 0.00 H new ATOM 140 N THR A 10 50.011 6.495 3.227 1.00 0.00 N ATOM 141 CA THR A 10 51.226 5.861 3.827 1.00 0.00 C ATOM 142 C THR A 10 51.820 4.836 2.838 1.00 0.00 C ATOM 143 O THR A 10 51.085 4.276 2.053 1.00 0.00 O ATOM 144 CB THR A 10 50.729 5.170 5.108 1.00 0.00 C ATOM 145 OG1 THR A 10 51.810 4.506 5.742 1.00 0.00 O ATOM 146 CG2 THR A 10 49.634 4.151 4.773 1.00 0.00 C ATOM 0 H THR A 10 49.128 6.232 3.665 1.00 0.00 H new ATOM 0 HA THR A 10 52.012 6.584 4.046 1.00 0.00 H new ATOM 0 HB THR A 10 50.318 5.926 5.777 1.00 0.00 H new ATOM 0 HG1 THR A 10 51.491 4.068 6.559 1.00 0.00 H new ATOM 0 HG21 THR A 10 49.292 3.670 5.689 1.00 0.00 H new ATOM 0 HG22 THR A 10 48.797 4.660 4.296 1.00 0.00 H new ATOM 0 HG23 THR A 10 50.034 3.397 4.095 1.00 0.00 H new ATOM 154 N PRO A 11 53.128 4.610 2.884 1.00 0.00 N ATOM 155 CA PRO A 11 53.752 3.637 1.948 1.00 0.00 C ATOM 156 C PRO A 11 53.125 2.248 2.110 1.00 0.00 C ATOM 157 O PRO A 11 52.620 1.904 3.162 1.00 0.00 O ATOM 158 CB PRO A 11 55.223 3.638 2.382 1.00 0.00 C ATOM 159 CG PRO A 11 55.393 4.619 3.558 1.00 0.00 C ATOM 160 CD PRO A 11 54.043 5.290 3.843 1.00 0.00 C ATOM 0 HA PRO A 11 53.617 3.896 0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 11 55.529 2.635 2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 11 55.862 3.932 1.549 1.00 0.00 H new ATOM 0 HG2 PRO A 11 55.745 4.089 4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 11 56.144 5.371 3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 11 53.728 5.143 4.876 1.00 0.00 H new ATOM 0 HD3 PRO A 11 54.082 6.366 3.672 1.00 0.00 H new ATOM 168 N ALA A 12 53.152 1.450 1.070 1.00 0.00 N ATOM 169 CA ALA A 12 52.556 0.079 1.151 1.00 0.00 C ATOM 170 C ALA A 12 53.229 -0.733 2.263 1.00 0.00 C ATOM 171 O ALA A 12 54.339 -1.208 2.111 1.00 0.00 O ATOM 172 CB ALA A 12 52.821 -0.562 -0.213 1.00 0.00 C ATOM 0 H ALA A 12 53.562 1.689 0.167 1.00 0.00 H new ATOM 0 HA ALA A 12 51.491 0.114 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.410 -1.572 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.346 0.033 -0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.895 -0.605 -0.392 1.00 0.00 H new ATOM 178 N ASP A 13 52.560 -0.895 3.375 1.00 0.00 N ATOM 179 CA ASP A 13 53.148 -1.679 4.507 1.00 0.00 C ATOM 180 C ASP A 13 53.325 -3.146 4.099 1.00 0.00 C ATOM 181 O ASP A 13 52.364 -3.852 3.863 1.00 0.00 O ATOM 182 CB ASP A 13 52.139 -1.553 5.656 1.00 0.00 C ATOM 183 CG ASP A 13 50.769 -2.074 5.208 1.00 0.00 C ATOM 184 OD1 ASP A 13 50.055 -1.325 4.562 1.00 0.00 O ATOM 185 OD2 ASP A 13 50.458 -3.212 5.521 1.00 0.00 O ATOM 0 H ASP A 13 51.629 -0.518 3.550 1.00 0.00 H new ATOM 0 HA ASP A 13 54.132 -1.309 4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 13 52.487 -2.118 6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 13 52.058 -0.512 5.967 1.00 0.00 H new ATOM 190 N ARG A 14 54.548 -3.603 4.013 1.00 0.00 N ATOM 191 CA ARG A 14 54.798 -5.023 3.617 1.00 0.00 C ATOM 192 C ARG A 14 54.599 -5.956 4.816 1.00 0.00 C ATOM 193 O ARG A 14 54.257 -7.113 4.659 1.00 0.00 O ATOM 194 CB ARG A 14 56.257 -5.056 3.146 1.00 0.00 C ATOM 195 CG ARG A 14 56.307 -5.179 1.620 1.00 0.00 C ATOM 196 CD ARG A 14 56.251 -3.785 0.992 1.00 0.00 C ATOM 197 NE ARG A 14 56.887 -3.941 -0.344 1.00 0.00 N ATOM 198 CZ ARG A 14 57.956 -3.255 -0.641 1.00 0.00 C ATOM 199 NH1 ARG A 14 59.109 -3.596 -0.134 1.00 0.00 N ATOM 200 NH2 ARG A 14 57.872 -2.230 -1.444 1.00 0.00 N ATOM 0 H ARG A 14 55.387 -3.053 4.200 1.00 0.00 H new ATOM 0 HA ARG A 14 54.111 -5.358 2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 14 56.772 -4.149 3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 14 56.778 -5.896 3.605 1.00 0.00 H new ATOM 0 HG2 ARG A 14 57.221 -5.690 1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 14 55.471 -5.783 1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 14 55.223 -3.433 0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 14 56.785 -3.056 1.601 1.00 0.00 H new ATOM 0 HE ARG A 14 56.487 -4.584 -1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 14 59.173 -4.398 0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 14 59.946 -3.061 -0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 14 56.970 -1.965 -1.840 1.00 0.00 H new ATOM 0 HH22 ARG A 14 58.708 -1.694 -1.676 1.00 0.00 H new ATOM 214 N GLY A 15 54.817 -5.462 6.007 1.00 0.00 N ATOM 215 CA GLY A 15 54.648 -6.315 7.220 1.00 0.00 C ATOM 216 C GLY A 15 56.004 -6.896 7.624 1.00 0.00 C ATOM 217 O GLY A 15 57.039 -6.452 7.163 1.00 0.00 O ATOM 0 H GLY A 15 55.106 -4.501 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 15 54.234 -5.726 8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 15 53.941 -7.119 7.017 1.00 0.00 H new ATOM 221 N LEU A 16 56.006 -7.887 8.481 1.00 0.00 N ATOM 222 CA LEU A 16 57.297 -8.499 8.918 1.00 0.00 C ATOM 223 C LEU A 16 57.130 -10.007 9.142 1.00 0.00 C ATOM 224 O LEU A 16 57.171 -10.485 10.261 1.00 0.00 O ATOM 225 CB LEU A 16 57.643 -7.795 10.233 1.00 0.00 C ATOM 226 CG LEU A 16 58.701 -6.718 9.981 1.00 0.00 C ATOM 227 CD1 LEU A 16 58.904 -5.898 11.256 1.00 0.00 C ATOM 228 CD2 LEU A 16 60.023 -7.385 9.589 1.00 0.00 C ATOM 0 H LEU A 16 55.170 -8.298 8.896 1.00 0.00 H new ATOM 0 HA LEU A 16 58.081 -8.379 8.170 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.748 -7.345 10.662 1.00 0.00 H new ATOM 0 HB3 LEU A 16 58.014 -8.520 10.958 1.00 0.00 H new ATOM 0 HG LEU A 16 58.370 -6.063 9.175 1.00 0.00 H new ATOM 0 HD11 LEU A 16 59.657 -5.130 11.079 1.00 0.00 H new ATOM 0 HD12 LEU A 16 57.963 -5.425 11.538 1.00 0.00 H new ATOM 0 HD13 LEU A 16 59.236 -6.553 12.061 1.00 0.00 H new ATOM 0 HD21 LEU A 16 60.778 -6.619 9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 16 60.354 -8.038 10.396 1.00 0.00 H new ATOM 0 HD23 LEU A 16 59.879 -7.973 8.682 1.00 0.00 H new ATOM 240 N CYS A 17 56.949 -10.756 8.084 1.00 0.00 N ATOM 241 CA CYS A 17 56.789 -12.237 8.226 1.00 0.00 C ATOM 242 C CYS A 17 57.158 -12.929 6.907 1.00 0.00 C ATOM 243 O CYS A 17 57.882 -12.381 6.097 1.00 0.00 O ATOM 244 CB CYS A 17 55.304 -12.452 8.568 1.00 0.00 C ATOM 245 SG CYS A 17 55.158 -13.451 10.078 1.00 0.00 S ATOM 0 H CYS A 17 56.905 -10.407 7.127 1.00 0.00 H new ATOM 0 HA CYS A 17 57.438 -12.656 8.995 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.811 -11.490 8.708 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.799 -12.951 7.741 1.00 0.00 H new ATOM 250 N ARG A 18 56.673 -14.126 6.691 1.00 0.00 N ATOM 251 CA ARG A 18 57.000 -14.854 5.426 1.00 0.00 C ATOM 252 C ARG A 18 55.719 -15.334 4.736 1.00 0.00 C ATOM 253 O ARG A 18 55.145 -16.340 5.109 1.00 0.00 O ATOM 254 CB ARG A 18 57.853 -16.049 5.859 1.00 0.00 C ATOM 255 CG ARG A 18 58.673 -16.551 4.667 1.00 0.00 C ATOM 256 CD ARG A 18 59.111 -17.997 4.916 1.00 0.00 C ATOM 257 NE ARG A 18 60.266 -18.211 4.000 1.00 0.00 N ATOM 258 CZ ARG A 18 60.108 -18.888 2.894 1.00 0.00 C ATOM 259 NH1 ARG A 18 59.728 -20.134 2.942 1.00 0.00 N ATOM 260 NH2 ARG A 18 60.334 -18.319 1.741 1.00 0.00 N ATOM 0 H ARG A 18 56.065 -14.631 7.336 1.00 0.00 H new ATOM 0 HA ARG A 18 57.523 -14.216 4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 18 58.516 -15.759 6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.214 -16.847 6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 18 58.080 -16.492 3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 18 59.547 -15.916 4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 18 59.398 -18.149 5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 18 58.303 -18.697 4.703 1.00 0.00 H new ATOM 0 HE ARG A 18 61.181 -17.828 4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 18 59.554 -20.580 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 18 59.604 -20.663 2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 18 60.634 -17.345 1.703 1.00 0.00 H new ATOM 0 HH22 ARG A 18 60.210 -18.849 0.878 1.00 0.00 H new ATOM 274 N ALA A 19 55.272 -14.621 3.729 1.00 0.00 N ATOM 275 CA ALA A 19 54.028 -15.027 2.998 1.00 0.00 C ATOM 276 C ALA A 19 53.801 -14.104 1.797 1.00 0.00 C ATOM 277 O ALA A 19 53.821 -12.894 1.927 1.00 0.00 O ATOM 278 CB ALA A 19 52.888 -14.865 4.008 1.00 0.00 C ATOM 0 H ALA A 19 55.717 -13.772 3.380 1.00 0.00 H new ATOM 0 HA ALA A 19 54.093 -16.047 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 19 51.944 -15.145 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 19 53.071 -15.508 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 19 52.836 -13.826 4.335 1.00 0.00 H new ATOM 284 N ASN A 20 53.582 -14.665 0.634 1.00 0.00 N ATOM 285 CA ASN A 20 53.351 -13.820 -0.576 1.00 0.00 C ATOM 286 C ASN A 20 51.856 -13.531 -0.744 1.00 0.00 C ATOM 287 O ASN A 20 51.177 -14.169 -1.527 1.00 0.00 O ATOM 288 CB ASN A 20 53.872 -14.650 -1.748 1.00 0.00 C ATOM 289 CG ASN A 20 55.390 -14.484 -1.855 1.00 0.00 C ATOM 290 OD1 ASN A 20 55.870 -13.480 -2.340 1.00 0.00 O ATOM 291 ND2 ASN A 20 56.170 -15.434 -1.415 1.00 0.00 N ATOM 0 H ASN A 20 53.553 -15.671 0.471 1.00 0.00 H new ATOM 0 HA ASN A 20 53.854 -12.856 -0.506 1.00 0.00 H new ATOM 0 HB2 ASN A 20 53.619 -15.701 -1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 20 53.394 -14.331 -2.674 1.00 0.00 H new ATOM 0 HD21 ASN A 20 57.183 -15.333 -1.479 1.00 0.00 H new ATOM 0 HD22 ASN A 20 55.766 -16.277 -1.008 1.00 0.00 H new ATOM 298 N GLU A 21 51.342 -12.572 -0.015 1.00 0.00 N ATOM 299 CA GLU A 21 49.891 -12.233 -0.126 1.00 0.00 C ATOM 300 C GLU A 21 49.663 -11.273 -1.299 1.00 0.00 C ATOM 301 O GLU A 21 50.526 -11.090 -2.137 1.00 0.00 O ATOM 302 CB GLU A 21 49.542 -11.555 1.202 1.00 0.00 C ATOM 303 CG GLU A 21 48.814 -12.546 2.118 1.00 0.00 C ATOM 304 CD GLU A 21 47.307 -12.282 2.070 1.00 0.00 C ATOM 305 OE1 GLU A 21 46.897 -11.219 2.508 1.00 0.00 O ATOM 306 OE2 GLU A 21 46.590 -13.145 1.594 1.00 0.00 O ATOM 0 H GLU A 21 51.867 -12.008 0.654 1.00 0.00 H new ATOM 0 HA GLU A 21 49.271 -13.111 -0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 21 50.450 -11.197 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 21 48.913 -10.684 1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 21 49.024 -13.568 1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 21 49.178 -12.446 3.141 1.00 0.00 H new ATOM 313 N ASN A 22 48.507 -10.661 -1.360 1.00 0.00 N ATOM 314 CA ASN A 22 48.214 -9.710 -2.476 1.00 0.00 C ATOM 315 C ASN A 22 47.179 -8.671 -2.030 1.00 0.00 C ATOM 316 O ASN A 22 46.030 -8.714 -2.430 1.00 0.00 O ATOM 317 CB ASN A 22 47.654 -10.579 -3.603 1.00 0.00 C ATOM 318 CG ASN A 22 48.802 -11.302 -4.309 1.00 0.00 C ATOM 319 OD1 ASN A 22 49.602 -10.684 -4.982 1.00 0.00 O ATOM 320 ND2 ASN A 22 48.917 -12.595 -4.183 1.00 0.00 N ATOM 0 H ASN A 22 47.752 -10.779 -0.684 1.00 0.00 H new ATOM 0 HA ASN A 22 49.100 -9.158 -2.791 1.00 0.00 H new ATOM 0 HB2 ASN A 22 46.947 -11.304 -3.200 1.00 0.00 H new ATOM 0 HB3 ASN A 22 47.107 -9.961 -4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 22 49.679 -13.087 -4.650 1.00 0.00 H new ATOM 0 HD22 ASN A 22 48.245 -13.114 -3.618 1.00 0.00 H new ATOM 327 N ARG A 23 47.582 -7.738 -1.206 1.00 0.00 N ATOM 328 CA ARG A 23 46.633 -6.688 -0.726 1.00 0.00 C ATOM 329 C ARG A 23 46.667 -5.480 -1.668 1.00 0.00 C ATOM 330 O ARG A 23 47.595 -5.315 -2.432 1.00 0.00 O ATOM 331 CB ARG A 23 47.141 -6.310 0.663 1.00 0.00 C ATOM 332 CG ARG A 23 46.715 -7.379 1.670 1.00 0.00 C ATOM 333 CD ARG A 23 45.262 -7.141 2.088 1.00 0.00 C ATOM 334 NE ARG A 23 44.648 -8.496 2.127 1.00 0.00 N ATOM 335 CZ ARG A 23 43.705 -8.759 2.990 1.00 0.00 C ATOM 336 NH1 ARG A 23 43.992 -8.862 4.259 1.00 0.00 N ATOM 337 NH2 ARG A 23 42.475 -8.921 2.584 1.00 0.00 N ATOM 0 H ARG A 23 48.532 -7.658 -0.843 1.00 0.00 H new ATOM 0 HA ARG A 23 45.600 -7.036 -0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 23 48.227 -6.218 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.742 -5.339 0.956 1.00 0.00 H new ATOM 0 HG2 ARG A 23 46.819 -8.370 1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.365 -7.349 2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 23 45.206 -6.654 3.061 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.747 -6.494 1.377 1.00 0.00 H new ATOM 0 HE ARG A 23 44.964 -9.218 1.480 1.00 0.00 H new ATOM 0 HH11 ARG A 23 44.953 -8.737 4.576 1.00 0.00 H new ATOM 0 HH12 ARG A 23 43.255 -9.068 4.934 1.00 0.00 H new ATOM 0 HH21 ARG A 23 42.251 -8.842 1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 23 41.738 -9.127 3.259 1.00 0.00 H new ATOM 351 N PHE A 24 45.656 -4.645 -1.628 1.00 0.00 N ATOM 352 CA PHE A 24 45.623 -3.450 -2.532 1.00 0.00 C ATOM 353 C PHE A 24 46.247 -2.218 -1.857 1.00 0.00 C ATOM 354 O PHE A 24 45.712 -1.682 -0.906 1.00 0.00 O ATOM 355 CB PHE A 24 44.139 -3.214 -2.817 1.00 0.00 C ATOM 356 CG PHE A 24 43.752 -3.924 -4.094 1.00 0.00 C ATOM 357 CD1 PHE A 24 43.985 -5.298 -4.229 1.00 0.00 C ATOM 358 CD2 PHE A 24 43.166 -3.207 -5.143 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.631 -5.955 -5.412 1.00 0.00 C ATOM 360 CE2 PHE A 24 42.811 -3.864 -6.327 1.00 0.00 C ATOM 361 CZ PHE A 24 43.044 -5.239 -6.462 1.00 0.00 C ATOM 0 H PHE A 24 44.851 -4.739 -1.008 1.00 0.00 H new ATOM 0 HA PHE A 24 46.199 -3.618 -3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.535 -3.581 -1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 24 43.940 -2.146 -2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 24 44.438 -5.851 -3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 24 42.988 -2.147 -5.039 1.00 0.00 H new ATOM 0 HE1 PHE A 24 43.811 -7.015 -5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 24 42.358 -3.311 -7.136 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.771 -5.746 -7.376 1.00 0.00 H new ATOM 371 N TYR A 25 47.368 -1.761 -2.360 1.00 0.00 N ATOM 372 CA TYR A 25 48.036 -0.554 -1.777 1.00 0.00 C ATOM 373 C TYR A 25 47.543 0.715 -2.499 1.00 0.00 C ATOM 374 O TYR A 25 47.304 0.702 -3.690 1.00 0.00 O ATOM 375 CB TYR A 25 49.541 -0.804 -2.014 1.00 0.00 C ATOM 376 CG TYR A 25 50.349 0.475 -1.887 1.00 0.00 C ATOM 377 CD1 TYR A 25 50.188 1.299 -0.769 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.259 0.825 -2.892 1.00 0.00 C ATOM 379 CE1 TYR A 25 50.936 2.475 -0.657 1.00 0.00 C ATOM 380 CE2 TYR A 25 52.008 2.002 -2.778 1.00 0.00 C ATOM 381 CZ TYR A 25 51.847 2.827 -1.660 1.00 0.00 C ATOM 382 OH TYR A 25 52.585 3.986 -1.546 1.00 0.00 O ATOM 0 H TYR A 25 47.853 -2.176 -3.156 1.00 0.00 H new ATOM 0 HA TYR A 25 47.818 -0.403 -0.720 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.906 -1.538 -1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.687 -1.230 -3.007 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.487 1.028 0.007 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.383 0.187 -3.755 1.00 0.00 H new ATOM 0 HE1 TYR A 25 50.811 3.113 0.205 1.00 0.00 H new ATOM 0 HE2 TYR A 25 52.710 2.273 -3.553 1.00 0.00 H new ATOM 0 HH TYR A 25 53.169 4.080 -2.327 1.00 0.00 H new ATOM 392 N TYR A 26 47.415 1.810 -1.787 1.00 0.00 N ATOM 393 CA TYR A 26 46.962 3.082 -2.432 1.00 0.00 C ATOM 394 C TYR A 26 48.181 3.935 -2.807 1.00 0.00 C ATOM 395 O TYR A 26 48.930 4.367 -1.950 1.00 0.00 O ATOM 396 CB TYR A 26 46.115 3.799 -1.377 1.00 0.00 C ATOM 397 CG TYR A 26 45.570 5.083 -1.964 1.00 0.00 C ATOM 398 CD1 TYR A 26 44.678 5.036 -3.043 1.00 0.00 C ATOM 399 CD2 TYR A 26 45.964 6.318 -1.435 1.00 0.00 C ATOM 400 CE1 TYR A 26 44.183 6.225 -3.593 1.00 0.00 C ATOM 401 CE2 TYR A 26 45.466 7.505 -1.985 1.00 0.00 C ATOM 402 CZ TYR A 26 44.576 7.459 -3.063 1.00 0.00 C ATOM 403 OH TYR A 26 44.088 8.630 -3.605 1.00 0.00 O ATOM 0 H TYR A 26 47.605 1.877 -0.787 1.00 0.00 H new ATOM 0 HA TYR A 26 46.395 2.900 -3.345 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.296 3.157 -1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 26 46.718 4.016 -0.495 1.00 0.00 H new ATOM 0 HD1 TYR A 26 44.372 4.084 -3.450 1.00 0.00 H new ATOM 0 HD2 TYR A 26 46.652 6.355 -0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 26 43.497 6.190 -4.427 1.00 0.00 H new ATOM 0 HE2 TYR A 26 45.769 8.458 -1.576 1.00 0.00 H new ATOM 0 HH TYR A 26 44.460 9.395 -3.119 1.00 0.00 H new ATOM 413 N ASN A 27 48.383 4.179 -4.078 1.00 0.00 N ATOM 414 CA ASN A 27 49.552 5.004 -4.508 1.00 0.00 C ATOM 415 C ASN A 27 49.200 6.492 -4.447 1.00 0.00 C ATOM 416 O ASN A 27 48.208 6.927 -5.004 1.00 0.00 O ATOM 417 CB ASN A 27 49.836 4.574 -5.947 1.00 0.00 C ATOM 418 CG ASN A 27 51.324 4.766 -6.254 1.00 0.00 C ATOM 419 OD1 ASN A 27 51.934 5.710 -5.795 1.00 0.00 O ATOM 420 ND2 ASN A 27 51.937 3.903 -7.017 1.00 0.00 N ATOM 0 H ASN A 27 47.789 3.842 -4.836 1.00 0.00 H new ATOM 0 HA ASN A 27 50.419 4.858 -3.864 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.557 3.530 -6.087 1.00 0.00 H new ATOM 0 HB3 ASN A 27 49.232 5.161 -6.639 1.00 0.00 H new ATOM 0 HD21 ASN A 27 52.928 4.022 -7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 27 51.425 3.110 -7.403 1.00 0.00 H new ATOM 427 N SER A 28 50.005 7.273 -3.772 1.00 0.00 N ATOM 428 CA SER A 28 49.721 8.738 -3.662 1.00 0.00 C ATOM 429 C SER A 28 50.177 9.494 -4.922 1.00 0.00 C ATOM 430 O SER A 28 50.067 10.704 -4.988 1.00 0.00 O ATOM 431 CB SER A 28 50.523 9.204 -2.448 1.00 0.00 C ATOM 432 OG SER A 28 50.005 10.448 -1.993 1.00 0.00 O ATOM 0 H SER A 28 50.848 6.960 -3.291 1.00 0.00 H new ATOM 0 HA SER A 28 48.653 8.931 -3.559 1.00 0.00 H new ATOM 0 HB2 SER A 28 50.466 8.461 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 28 51.575 9.309 -2.711 1.00 0.00 H new ATOM 0 HG SER A 28 49.819 11.026 -2.762 1.00 0.00 H new ATOM 438 N VAL A 29 50.679 8.802 -5.919 1.00 0.00 N ATOM 439 CA VAL A 29 51.131 9.497 -7.162 1.00 0.00 C ATOM 440 C VAL A 29 50.080 9.320 -8.263 1.00 0.00 C ATOM 441 O VAL A 29 49.550 10.283 -8.784 1.00 0.00 O ATOM 442 CB VAL A 29 52.447 8.814 -7.550 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.003 9.453 -8.824 1.00 0.00 C ATOM 444 CG2 VAL A 29 53.463 8.984 -6.417 1.00 0.00 C ATOM 0 H VAL A 29 50.794 7.789 -5.923 1.00 0.00 H new ATOM 0 HA VAL A 29 51.266 10.569 -7.016 1.00 0.00 H new ATOM 0 HB VAL A 29 52.264 7.754 -7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 29 53.939 8.965 -9.097 1.00 0.00 H new ATOM 0 HG12 VAL A 29 52.283 9.336 -9.634 1.00 0.00 H new ATOM 0 HG13 VAL A 29 53.184 10.514 -8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.399 8.499 -6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 29 53.642 10.045 -6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.072 8.529 -5.507 1.00 0.00 H new ATOM 454 N ILE A 30 49.772 8.096 -8.609 1.00 0.00 N ATOM 455 CA ILE A 30 48.748 7.854 -9.670 1.00 0.00 C ATOM 456 C ILE A 30 47.346 7.829 -9.053 1.00 0.00 C ATOM 457 O ILE A 30 46.369 8.146 -9.705 1.00 0.00 O ATOM 458 CB ILE A 30 49.100 6.498 -10.300 1.00 0.00 C ATOM 459 CG1 ILE A 30 49.112 5.397 -9.233 1.00 0.00 C ATOM 460 CG2 ILE A 30 50.481 6.586 -10.949 1.00 0.00 C ATOM 461 CD1 ILE A 30 48.969 4.034 -9.910 1.00 0.00 C ATOM 0 H ILE A 30 50.184 7.256 -8.204 1.00 0.00 H new ATOM 0 HA ILE A 30 48.749 8.643 -10.422 1.00 0.00 H new ATOM 0 HB ILE A 30 48.349 6.253 -11.051 1.00 0.00 H new ATOM 0 HG12 ILE A 30 50.040 5.437 -8.663 1.00 0.00 H new ATOM 0 HG13 ILE A 30 48.297 5.552 -8.526 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.734 5.625 -11.397 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.472 7.355 -11.721 1.00 0.00 H new ATOM 0 HG23 ILE A 30 51.223 6.840 -10.192 1.00 0.00 H new ATOM 0 HD11 ILE A 30 48.977 3.249 -9.153 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.029 3.998 -10.460 1.00 0.00 H new ATOM 0 HD13 ILE A 30 49.799 3.882 -10.600 1.00 0.00 H new ATOM 473 N GLY A 31 47.241 7.466 -7.798 1.00 0.00 N ATOM 474 CA GLY A 31 45.905 7.431 -7.131 1.00 0.00 C ATOM 475 C GLY A 31 45.313 6.020 -7.205 1.00 0.00 C ATOM 476 O GLY A 31 44.645 5.575 -6.291 1.00 0.00 O ATOM 0 H GLY A 31 48.026 7.192 -7.207 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.002 7.738 -6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.232 8.141 -7.611 1.00 0.00 H new ATOM 480 N LYS A 32 45.548 5.317 -8.285 1.00 0.00 N ATOM 481 CA LYS A 32 44.991 3.935 -8.420 1.00 0.00 C ATOM 482 C LYS A 32 45.553 3.028 -7.322 1.00 0.00 C ATOM 483 O LYS A 32 46.668 3.203 -6.871 1.00 0.00 O ATOM 484 CB LYS A 32 45.445 3.443 -9.795 1.00 0.00 C ATOM 485 CG LYS A 32 44.778 4.281 -10.888 1.00 0.00 C ATOM 486 CD LYS A 32 43.318 3.841 -11.056 1.00 0.00 C ATOM 487 CE LYS A 32 42.939 3.870 -12.539 1.00 0.00 C ATOM 488 NZ LYS A 32 42.375 5.228 -12.767 1.00 0.00 N ATOM 0 H LYS A 32 46.101 5.640 -9.079 1.00 0.00 H new ATOM 0 HA LYS A 32 43.905 3.925 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 32 46.529 3.516 -9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 32 45.185 2.392 -9.920 1.00 0.00 H new ATOM 0 HG2 LYS A 32 44.822 5.338 -10.627 1.00 0.00 H new ATOM 0 HG3 LYS A 32 45.315 4.162 -11.829 1.00 0.00 H new ATOM 0 HD2 LYS A 32 43.182 2.836 -10.655 1.00 0.00 H new ATOM 0 HD3 LYS A 32 42.661 4.501 -10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 32 43.809 3.693 -13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.210 3.095 -12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 42.092 5.324 -13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.545 5.366 -12.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 43.094 5.945 -12.541 1.00 0.00 H new ATOM 502 N CYS A 33 44.783 2.058 -6.895 1.00 0.00 N ATOM 503 CA CYS A 33 45.263 1.130 -5.828 1.00 0.00 C ATOM 504 C CYS A 33 45.991 -0.061 -6.463 1.00 0.00 C ATOM 505 O CYS A 33 45.376 -0.936 -7.043 1.00 0.00 O ATOM 506 CB CYS A 33 43.990 0.667 -5.109 1.00 0.00 C ATOM 507 SG CYS A 33 44.258 0.665 -3.316 1.00 0.00 S ATOM 0 H CYS A 33 43.842 1.870 -7.240 1.00 0.00 H new ATOM 0 HA CYS A 33 45.966 1.605 -5.143 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.160 1.327 -5.360 1.00 0.00 H new ATOM 0 HB3 CYS A 33 43.715 -0.333 -5.445 1.00 0.00 H new ATOM 512 N ARG A 34 47.298 -0.095 -6.360 1.00 0.00 N ATOM 513 CA ARG A 34 48.075 -1.224 -6.960 1.00 0.00 C ATOM 514 C ARG A 34 48.243 -2.366 -5.932 1.00 0.00 C ATOM 515 O ARG A 34 48.559 -2.097 -4.789 1.00 0.00 O ATOM 516 CB ARG A 34 49.435 -0.618 -7.312 1.00 0.00 C ATOM 517 CG ARG A 34 49.431 -0.164 -8.772 1.00 0.00 C ATOM 518 CD ARG A 34 50.867 -0.148 -9.307 1.00 0.00 C ATOM 519 NE ARG A 34 51.065 -1.488 -9.932 1.00 0.00 N ATOM 520 CZ ARG A 34 52.027 -1.670 -10.795 1.00 0.00 C ATOM 521 NH1 ARG A 34 51.821 -1.440 -12.062 1.00 0.00 N ATOM 522 NH2 ARG A 34 53.197 -2.084 -10.389 1.00 0.00 N ATOM 0 H ARG A 34 47.860 0.612 -5.886 1.00 0.00 H new ATOM 0 HA ARG A 34 47.577 -1.653 -7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 34 49.648 0.228 -6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 34 50.224 -1.352 -7.151 1.00 0.00 H new ATOM 0 HG2 ARG A 34 48.816 -0.836 -9.371 1.00 0.00 H new ATOM 0 HG3 ARG A 34 48.990 0.830 -8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 34 51.007 0.651 -10.035 1.00 0.00 H new ATOM 0 HD3 ARG A 34 51.585 0.022 -8.504 1.00 0.00 H new ATOM 0 HE ARG A 34 50.448 -2.262 -9.685 1.00 0.00 H new ATOM 0 HH11 ARG A 34 50.907 -1.117 -12.380 1.00 0.00 H new ATOM 0 HH12 ARG A 34 52.574 -1.583 -12.735 1.00 0.00 H new ATOM 0 HH21 ARG A 34 53.358 -2.265 -9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 34 53.950 -2.227 -11.063 1.00 0.00 H new ATOM 536 N PRO A 35 48.029 -3.614 -6.340 1.00 0.00 N ATOM 537 CA PRO A 35 48.175 -4.746 -5.389 1.00 0.00 C ATOM 538 C PRO A 35 49.642 -4.923 -4.973 1.00 0.00 C ATOM 539 O PRO A 35 50.547 -4.663 -5.745 1.00 0.00 O ATOM 540 CB PRO A 35 47.696 -5.948 -6.213 1.00 0.00 C ATOM 541 CG PRO A 35 47.298 -5.461 -7.618 1.00 0.00 C ATOM 542 CD PRO A 35 47.634 -3.970 -7.732 1.00 0.00 C ATOM 0 HA PRO A 35 47.618 -4.606 -4.463 1.00 0.00 H new ATOM 0 HB2 PRO A 35 48.486 -6.696 -6.283 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.847 -6.426 -5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.832 -6.028 -8.380 1.00 0.00 H new ATOM 0 HG3 PRO A 35 46.233 -5.623 -7.787 1.00 0.00 H new ATOM 0 HD2 PRO A 35 48.443 -3.791 -8.440 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.778 -3.387 -8.071 1.00 0.00 H new ATOM 550 N PHE A 36 49.880 -5.379 -3.767 1.00 0.00 N ATOM 551 CA PHE A 36 51.287 -5.591 -3.307 1.00 0.00 C ATOM 552 C PHE A 36 51.382 -6.876 -2.471 1.00 0.00 C ATOM 553 O PHE A 36 50.397 -7.356 -1.943 1.00 0.00 O ATOM 554 CB PHE A 36 51.648 -4.339 -2.485 1.00 0.00 C ATOM 555 CG PHE A 36 50.900 -4.310 -1.167 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.554 -3.932 -1.130 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.561 -4.656 0.016 1.00 0.00 C ATOM 558 CE1 PHE A 36 48.869 -3.900 0.091 1.00 0.00 C ATOM 559 CE2 PHE A 36 50.878 -4.624 1.237 1.00 0.00 C ATOM 560 CZ PHE A 36 49.532 -4.245 1.275 1.00 0.00 C ATOM 0 H PHE A 36 49.161 -5.613 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 36 51.982 -5.718 -4.137 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.721 -4.322 -2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.411 -3.444 -3.060 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.043 -3.665 -2.043 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.600 -4.948 -0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 36 47.829 -3.609 0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.390 -4.892 2.150 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.005 -4.219 2.217 1.00 0.00 H new ATOM 570 N LYS A 37 52.560 -7.435 -2.356 1.00 0.00 N ATOM 571 CA LYS A 37 52.725 -8.692 -1.565 1.00 0.00 C ATOM 572 C LYS A 37 52.869 -8.377 -0.074 1.00 0.00 C ATOM 573 O LYS A 37 53.910 -7.940 0.380 1.00 0.00 O ATOM 574 CB LYS A 37 54.005 -9.334 -2.102 1.00 0.00 C ATOM 575 CG LYS A 37 53.646 -10.425 -3.114 1.00 0.00 C ATOM 576 CD LYS A 37 54.830 -10.668 -4.056 1.00 0.00 C ATOM 577 CE LYS A 37 54.579 -9.963 -5.392 1.00 0.00 C ATOM 578 NZ LYS A 37 53.865 -10.969 -6.224 1.00 0.00 N ATOM 0 H LYS A 37 53.416 -7.074 -2.777 1.00 0.00 H new ATOM 0 HA LYS A 37 51.863 -9.351 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 37 54.633 -8.578 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 37 54.582 -9.760 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 37 53.389 -11.347 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 37 52.768 -10.127 -3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 37 55.749 -10.295 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 37 54.965 -11.737 -4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 37 53.979 -9.063 -5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 37 55.515 -9.656 -5.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 53.656 -10.562 -7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 54.463 -11.812 -6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 52.975 -11.237 -5.757 1.00 0.00 H new ATOM 592 N TYR A 38 51.831 -8.608 0.689 1.00 0.00 N ATOM 593 CA TYR A 38 51.895 -8.337 2.155 1.00 0.00 C ATOM 594 C TYR A 38 52.431 -9.573 2.888 1.00 0.00 C ATOM 595 O TYR A 38 52.518 -10.648 2.325 1.00 0.00 O ATOM 596 CB TYR A 38 50.449 -8.048 2.565 1.00 0.00 C ATOM 597 CG TYR A 38 50.393 -7.727 4.040 1.00 0.00 C ATOM 598 CD1 TYR A 38 51.100 -6.629 4.546 1.00 0.00 C ATOM 599 CD2 TYR A 38 49.637 -8.529 4.900 1.00 0.00 C ATOM 600 CE1 TYR A 38 51.048 -6.335 5.913 1.00 0.00 C ATOM 601 CE2 TYR A 38 49.584 -8.236 6.266 1.00 0.00 C ATOM 602 CZ TYR A 38 50.290 -7.138 6.773 1.00 0.00 C ATOM 603 OH TYR A 38 50.239 -6.849 8.120 1.00 0.00 O ATOM 0 H TYR A 38 50.939 -8.974 0.357 1.00 0.00 H new ATOM 0 HA TYR A 38 52.558 -7.507 2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 38 50.057 -7.212 1.986 1.00 0.00 H new ATOM 0 HB3 TYR A 38 49.819 -8.911 2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 38 51.685 -6.010 3.882 1.00 0.00 H new ATOM 0 HD2 TYR A 38 49.093 -9.376 4.509 1.00 0.00 H new ATOM 0 HE1 TYR A 38 51.593 -5.489 6.304 1.00 0.00 H new ATOM 0 HE2 TYR A 38 48.999 -8.856 6.930 1.00 0.00 H new ATOM 0 HH TYR A 38 49.668 -7.504 8.574 1.00 0.00 H new ATOM 613 N SER A 39 52.791 -9.423 4.138 1.00 0.00 N ATOM 614 CA SER A 39 53.324 -10.583 4.912 1.00 0.00 C ATOM 615 C SER A 39 52.220 -11.197 5.779 1.00 0.00 C ATOM 616 O SER A 39 51.721 -12.270 5.494 1.00 0.00 O ATOM 617 CB SER A 39 54.433 -10.000 5.788 1.00 0.00 C ATOM 618 OG SER A 39 55.674 -10.101 5.104 1.00 0.00 O ATOM 0 H SER A 39 52.738 -8.546 4.656 1.00 0.00 H new ATOM 0 HA SER A 39 53.693 -11.377 4.262 1.00 0.00 H new ATOM 0 HB2 SER A 39 54.217 -8.957 6.022 1.00 0.00 H new ATOM 0 HB3 SER A 39 54.483 -10.535 6.736 1.00 0.00 H new ATOM 0 HG SER A 39 56.259 -9.364 5.378 1.00 0.00 H new ATOM 624 N GLY A 40 51.841 -10.526 6.836 1.00 0.00 N ATOM 625 CA GLY A 40 50.774 -11.063 7.729 1.00 0.00 C ATOM 626 C GLY A 40 51.081 -10.697 9.184 1.00 0.00 C ATOM 627 O GLY A 40 50.195 -10.656 10.017 1.00 0.00 O ATOM 0 H GLY A 40 52.227 -9.625 7.119 1.00 0.00 H new ATOM 0 HA2 GLY A 40 49.805 -10.656 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 40 50.709 -12.146 7.623 1.00 0.00 H new ATOM 631 N CYS A 41 52.326 -10.435 9.498 1.00 0.00 N ATOM 632 CA CYS A 41 52.690 -10.077 10.900 1.00 0.00 C ATOM 633 C CYS A 41 52.966 -8.572 11.006 1.00 0.00 C ATOM 634 O CYS A 41 53.951 -8.077 10.494 1.00 0.00 O ATOM 635 CB CYS A 41 53.956 -10.886 11.201 1.00 0.00 C ATOM 636 SG CYS A 41 53.588 -12.659 11.080 1.00 0.00 S ATOM 0 H CYS A 41 53.106 -10.454 8.841 1.00 0.00 H new ATOM 0 HA CYS A 41 51.891 -10.301 11.607 1.00 0.00 H new ATOM 0 HB2 CYS A 41 54.746 -10.619 10.499 1.00 0.00 H new ATOM 0 HB3 CYS A 41 54.323 -10.648 12.199 1.00 0.00 H new ATOM 641 N GLY A 42 52.096 -7.847 11.665 1.00 0.00 N ATOM 642 CA GLY A 42 52.293 -6.374 11.806 1.00 0.00 C ATOM 643 C GLY A 42 51.558 -5.647 10.676 1.00 0.00 C ATOM 644 O GLY A 42 50.401 -5.912 10.409 1.00 0.00 O ATOM 0 H GLY A 42 51.256 -8.215 12.112 1.00 0.00 H new ATOM 0 HA2 GLY A 42 51.918 -6.038 12.773 1.00 0.00 H new ATOM 0 HA3 GLY A 42 53.356 -6.134 11.775 1.00 0.00 H new ATOM 648 N GLY A 43 52.223 -4.736 10.012 1.00 0.00 N ATOM 649 CA GLY A 43 51.574 -3.986 8.894 1.00 0.00 C ATOM 650 C GLY A 43 50.726 -2.845 9.458 1.00 0.00 C ATOM 651 O GLY A 43 50.424 -2.807 10.636 1.00 0.00 O ATOM 0 H GLY A 43 53.192 -4.478 10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 43 52.334 -3.588 8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 43 50.950 -4.659 8.307 1.00 0.00 H new ATOM 655 N ASN A 44 50.343 -1.913 8.623 1.00 0.00 N ATOM 656 CA ASN A 44 49.514 -0.764 9.097 1.00 0.00 C ATOM 657 C ASN A 44 48.029 -1.145 9.107 1.00 0.00 C ATOM 658 O ASN A 44 47.677 -2.302 8.971 1.00 0.00 O ATOM 659 CB ASN A 44 49.777 0.356 8.088 1.00 0.00 C ATOM 660 CG ASN A 44 51.106 1.038 8.418 1.00 0.00 C ATOM 661 OD1 ASN A 44 52.160 0.540 8.076 1.00 0.00 O ATOM 662 ND2 ASN A 44 51.101 2.167 9.074 1.00 0.00 N ATOM 0 H ASN A 44 50.570 -1.899 7.629 1.00 0.00 H new ATOM 0 HA ASN A 44 49.768 -0.465 10.114 1.00 0.00 H new ATOM 0 HB2 ASN A 44 49.806 -0.050 7.077 1.00 0.00 H new ATOM 0 HB3 ASN A 44 48.966 1.083 8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 44 51.982 2.630 9.299 1.00 0.00 H new ATOM 0 HD22 ASN A 44 50.217 2.586 9.362 1.00 0.00 H new ATOM 669 N GLU A 45 47.162 -0.179 9.275 1.00 0.00 N ATOM 670 CA GLU A 45 45.698 -0.473 9.304 1.00 0.00 C ATOM 671 C GLU A 45 45.027 0.031 8.023 1.00 0.00 C ATOM 672 O GLU A 45 43.871 0.412 8.027 1.00 0.00 O ATOM 673 CB GLU A 45 45.176 0.292 10.522 1.00 0.00 C ATOM 674 CG GLU A 45 43.985 -0.452 11.128 1.00 0.00 C ATOM 675 CD GLU A 45 43.257 0.471 12.108 1.00 0.00 C ATOM 676 OE1 GLU A 45 43.929 1.096 12.912 1.00 0.00 O ATOM 677 OE2 GLU A 45 42.041 0.536 12.038 1.00 0.00 O ATOM 0 H GLU A 45 47.407 0.804 9.394 1.00 0.00 H new ATOM 0 HA GLU A 45 45.489 -1.541 9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 45 45.967 0.396 11.264 1.00 0.00 H new ATOM 0 HB3 GLU A 45 44.878 1.299 10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 45 43.304 -0.775 10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 45 44.326 -1.351 11.642 1.00 0.00 H new ATOM 684 N ASN A 46 45.744 0.031 6.928 1.00 0.00 N ATOM 685 CA ASN A 46 45.156 0.505 5.639 1.00 0.00 C ATOM 686 C ASN A 46 45.225 -0.609 4.588 1.00 0.00 C ATOM 687 O ASN A 46 45.385 -0.355 3.409 1.00 0.00 O ATOM 688 CB ASN A 46 46.014 1.708 5.224 1.00 0.00 C ATOM 689 CG ASN A 46 47.470 1.274 5.007 1.00 0.00 C ATOM 690 OD1 ASN A 46 47.995 0.466 5.746 1.00 0.00 O ATOM 691 ND2 ASN A 46 48.148 1.785 4.015 1.00 0.00 N ATOM 0 H ASN A 46 46.714 -0.278 6.871 1.00 0.00 H new ATOM 0 HA ASN A 46 44.106 0.779 5.737 1.00 0.00 H new ATOM 0 HB2 ASN A 46 45.618 2.147 4.308 1.00 0.00 H new ATOM 0 HB3 ASN A 46 45.968 2.479 5.993 1.00 0.00 H new ATOM 0 HD21 ASN A 46 49.117 1.505 3.862 1.00 0.00 H new ATOM 0 HD22 ASN A 46 47.709 2.464 3.393 1.00 0.00 H new ATOM 698 N ASN A 47 45.111 -1.842 5.014 1.00 0.00 N ATOM 699 CA ASN A 47 45.176 -2.985 4.052 1.00 0.00 C ATOM 700 C ASN A 47 43.831 -3.150 3.337 1.00 0.00 C ATOM 701 O ASN A 47 42.908 -3.740 3.867 1.00 0.00 O ATOM 702 CB ASN A 47 45.481 -4.221 4.906 1.00 0.00 C ATOM 703 CG ASN A 47 46.769 -4.007 5.711 1.00 0.00 C ATOM 704 OD1 ASN A 47 46.869 -4.441 6.842 1.00 0.00 O ATOM 705 ND2 ASN A 47 47.765 -3.352 5.178 1.00 0.00 N ATOM 0 H ASN A 47 44.975 -2.107 5.990 1.00 0.00 H new ATOM 0 HA ASN A 47 45.933 -2.828 3.283 1.00 0.00 H new ATOM 0 HB2 ASN A 47 44.650 -4.418 5.583 1.00 0.00 H new ATOM 0 HB3 ASN A 47 45.585 -5.097 4.266 1.00 0.00 H new ATOM 0 HD21 ASN A 47 48.623 -3.206 5.710 1.00 0.00 H new ATOM 0 HD22 ASN A 47 47.685 -2.986 4.229 1.00 0.00 H new ATOM 712 N PHE A 48 43.720 -2.636 2.139 1.00 0.00 N ATOM 713 CA PHE A 48 42.440 -2.761 1.380 1.00 0.00 C ATOM 714 C PHE A 48 42.389 -4.108 0.654 1.00 0.00 C ATOM 715 O PHE A 48 43.409 -4.669 0.299 1.00 0.00 O ATOM 716 CB PHE A 48 42.461 -1.606 0.380 1.00 0.00 C ATOM 717 CG PHE A 48 42.294 -0.299 1.118 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.118 -0.044 1.834 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.315 0.659 1.086 1.00 0.00 C ATOM 720 CE1 PHE A 48 40.964 1.168 2.519 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.161 1.870 1.771 1.00 0.00 C ATOM 722 CZ PHE A 48 41.985 2.125 2.487 1.00 0.00 C ATOM 0 H PHE A 48 44.463 -2.134 1.653 1.00 0.00 H new ATOM 0 HA PHE A 48 41.565 -2.719 2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.400 -1.606 -0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.661 -1.728 -0.350 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.330 -0.782 1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.222 0.463 0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 48 40.057 1.364 3.072 1.00 0.00 H new ATOM 0 HE2 PHE A 48 43.949 2.608 1.747 1.00 0.00 H new ATOM 0 HZ PHE A 48 41.866 3.060 3.014 1.00 0.00 H new ATOM 732 N THR A 49 41.209 -4.630 0.437 1.00 0.00 N ATOM 733 CA THR A 49 41.080 -5.947 -0.260 1.00 0.00 C ATOM 734 C THR A 49 40.433 -5.771 -1.640 1.00 0.00 C ATOM 735 O THR A 49 40.603 -6.596 -2.519 1.00 0.00 O ATOM 736 CB THR A 49 40.185 -6.798 0.651 1.00 0.00 C ATOM 737 OG1 THR A 49 39.964 -8.062 0.042 1.00 0.00 O ATOM 738 CG2 THR A 49 38.840 -6.098 0.874 1.00 0.00 C ATOM 0 H THR A 49 40.326 -4.200 0.713 1.00 0.00 H new ATOM 0 HA THR A 49 42.051 -6.413 -0.429 1.00 0.00 H new ATOM 0 HB THR A 49 40.679 -6.931 1.613 1.00 0.00 H new ATOM 0 HG1 THR A 49 39.394 -8.609 0.622 1.00 0.00 H new ATOM 0 HG21 THR A 49 38.214 -6.711 1.522 1.00 0.00 H new ATOM 0 HG22 THR A 49 39.008 -5.129 1.343 1.00 0.00 H new ATOM 0 HG23 THR A 49 38.341 -5.956 -0.084 1.00 0.00 H new ATOM 746 N SER A 50 39.691 -4.707 -1.836 1.00 0.00 N ATOM 747 CA SER A 50 39.033 -4.479 -3.159 1.00 0.00 C ATOM 748 C SER A 50 39.270 -3.043 -3.632 1.00 0.00 C ATOM 749 O SER A 50 39.740 -2.205 -2.886 1.00 0.00 O ATOM 750 CB SER A 50 37.545 -4.720 -2.905 1.00 0.00 C ATOM 751 OG SER A 50 37.216 -6.056 -3.263 1.00 0.00 O ATOM 0 H SER A 50 39.513 -3.987 -1.136 1.00 0.00 H new ATOM 0 HA SER A 50 39.428 -5.135 -3.934 1.00 0.00 H new ATOM 0 HB2 SER A 50 37.311 -4.545 -1.855 1.00 0.00 H new ATOM 0 HB3 SER A 50 36.947 -4.018 -3.486 1.00 0.00 H new ATOM 0 HG SER A 50 36.263 -6.213 -3.099 1.00 0.00 H new ATOM 757 N LYS A 51 38.947 -2.757 -4.868 1.00 0.00 N ATOM 758 CA LYS A 51 39.151 -1.374 -5.401 1.00 0.00 C ATOM 759 C LYS A 51 38.054 -0.442 -4.882 1.00 0.00 C ATOM 760 O LYS A 51 38.267 0.745 -4.715 1.00 0.00 O ATOM 761 CB LYS A 51 39.062 -1.512 -6.922 1.00 0.00 C ATOM 762 CG LYS A 51 39.575 -0.231 -7.583 1.00 0.00 C ATOM 763 CD LYS A 51 39.811 -0.483 -9.073 1.00 0.00 C ATOM 764 CE LYS A 51 41.096 -1.294 -9.257 1.00 0.00 C ATOM 765 NZ LYS A 51 42.144 -0.287 -9.583 1.00 0.00 N ATOM 0 H LYS A 51 38.550 -3.422 -5.532 1.00 0.00 H new ATOM 0 HA LYS A 51 40.105 -0.950 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 51 39.651 -2.366 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 51 38.031 -1.700 -7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 51 38.852 0.574 -7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 51 40.501 0.090 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 51 38.965 -1.021 -9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 51 39.887 0.465 -9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 51 41.347 -1.846 -8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 51 40.989 -2.026 -10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 43.056 -0.768 -9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 41.881 0.218 -10.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 42.228 0.392 -8.800 1.00 0.00 H new ATOM 779 N GLN A 52 36.884 -0.971 -4.627 1.00 0.00 N ATOM 780 CA GLN A 52 35.767 -0.116 -4.115 1.00 0.00 C ATOM 781 C GLN A 52 36.073 0.350 -2.689 1.00 0.00 C ATOM 782 O GLN A 52 35.653 1.412 -2.272 1.00 0.00 O ATOM 783 CB GLN A 52 34.528 -1.014 -4.131 1.00 0.00 C ATOM 784 CG GLN A 52 34.118 -1.297 -5.578 1.00 0.00 C ATOM 785 CD GLN A 52 33.106 -2.445 -5.607 1.00 0.00 C ATOM 786 OE1 GLN A 52 32.029 -2.335 -5.055 1.00 0.00 O ATOM 787 NE2 GLN A 52 33.411 -3.550 -6.230 1.00 0.00 N ATOM 0 H GLN A 52 36.653 -1.957 -4.751 1.00 0.00 H new ATOM 0 HA GLN A 52 35.624 0.778 -4.721 1.00 0.00 H new ATOM 0 HB2 GLN A 52 34.738 -1.949 -3.612 1.00 0.00 H new ATOM 0 HB3 GLN A 52 33.709 -0.531 -3.598 1.00 0.00 H new ATOM 0 HG2 GLN A 52 33.683 -0.403 -6.025 1.00 0.00 H new ATOM 0 HG3 GLN A 52 34.995 -1.556 -6.172 1.00 0.00 H new ATOM 0 HE21 GLN A 52 34.315 -3.641 -6.693 1.00 0.00 H new ATOM 0 HE22 GLN A 52 32.745 -4.322 -6.254 1.00 0.00 H new ATOM 796 N GLU A 53 36.807 -0.437 -1.945 1.00 0.00 N ATOM 797 CA GLU A 53 37.152 -0.045 -0.544 1.00 0.00 C ATOM 798 C GLU A 53 38.315 0.951 -0.557 1.00 0.00 C ATOM 799 O GLU A 53 38.375 1.859 0.251 1.00 0.00 O ATOM 800 CB GLU A 53 37.566 -1.347 0.145 1.00 0.00 C ATOM 801 CG GLU A 53 36.360 -2.285 0.236 1.00 0.00 C ATOM 802 CD GLU A 53 35.529 -1.931 1.472 1.00 0.00 C ATOM 803 OE1 GLU A 53 36.108 -1.823 2.540 1.00 0.00 O ATOM 804 OE2 GLU A 53 34.327 -1.777 1.329 1.00 0.00 O ATOM 0 H GLU A 53 37.183 -1.336 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 53 36.321 0.436 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.371 -1.826 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 53 37.952 -1.136 1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 53 35.750 -2.198 -0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.695 -3.321 0.294 1.00 0.00 H new ATOM 811 N CYS A 54 39.231 0.786 -1.475 1.00 0.00 N ATOM 812 CA CYS A 54 40.398 1.720 -1.560 1.00 0.00 C ATOM 813 C CYS A 54 39.937 3.091 -2.061 1.00 0.00 C ATOM 814 O CYS A 54 40.482 4.113 -1.689 1.00 0.00 O ATOM 815 CB CYS A 54 41.352 1.076 -2.569 1.00 0.00 C ATOM 816 SG CYS A 54 42.911 1.997 -2.609 1.00 0.00 S ATOM 0 H CYS A 54 39.223 0.042 -2.173 1.00 0.00 H new ATOM 0 HA CYS A 54 40.874 1.875 -0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.539 0.038 -2.296 1.00 0.00 H new ATOM 0 HB3 CYS A 54 40.898 1.068 -3.560 1.00 0.00 H new ATOM 821 N LEU A 55 38.934 3.114 -2.900 1.00 0.00 N ATOM 822 CA LEU A 55 38.426 4.414 -3.434 1.00 0.00 C ATOM 823 C LEU A 55 37.570 5.117 -2.377 1.00 0.00 C ATOM 824 O LEU A 55 37.767 6.280 -2.078 1.00 0.00 O ATOM 825 CB LEU A 55 37.576 4.042 -4.650 1.00 0.00 C ATOM 826 CG LEU A 55 38.467 3.949 -5.890 1.00 0.00 C ATOM 827 CD1 LEU A 55 37.817 3.024 -6.919 1.00 0.00 C ATOM 828 CD2 LEU A 55 38.639 5.341 -6.500 1.00 0.00 C ATOM 0 H LEU A 55 38.443 2.287 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 55 39.234 5.096 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 55 37.074 3.090 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 55 36.797 4.789 -4.804 1.00 0.00 H new ATOM 0 HG LEU A 55 39.441 3.551 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 55 38.453 2.958 -7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 55 37.692 2.031 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 55 36.843 3.422 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 55 39.274 5.275 -7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 55 37.664 5.737 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 55 39.102 6.004 -5.769 1.00 0.00 H new ATOM 840 N ARG A 56 36.620 4.417 -1.812 1.00 0.00 N ATOM 841 CA ARG A 56 35.739 5.035 -0.771 1.00 0.00 C ATOM 842 C ARG A 56 36.538 5.357 0.498 1.00 0.00 C ATOM 843 O ARG A 56 36.106 6.139 1.324 1.00 0.00 O ATOM 844 CB ARG A 56 34.672 3.978 -0.470 1.00 0.00 C ATOM 845 CG ARG A 56 33.416 4.263 -1.298 1.00 0.00 C ATOM 846 CD ARG A 56 33.645 3.817 -2.745 1.00 0.00 C ATOM 847 NE ARG A 56 32.338 4.034 -3.425 1.00 0.00 N ATOM 848 CZ ARG A 56 32.101 5.163 -4.034 1.00 0.00 C ATOM 849 NH1 ARG A 56 32.794 5.493 -5.088 1.00 0.00 N ATOM 850 NH2 ARG A 56 31.172 5.963 -3.587 1.00 0.00 N ATOM 0 H ARG A 56 36.415 3.441 -2.026 1.00 0.00 H new ATOM 0 HA ARG A 56 35.305 5.973 -1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 56 35.055 2.984 -0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 56 34.428 3.985 0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 56 32.561 3.735 -0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 56 33.181 5.327 -1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 56 34.437 4.398 -3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 56 33.946 2.771 -2.793 1.00 0.00 H new ATOM 0 HE ARG A 56 31.629 3.301 -3.415 1.00 0.00 H new ATOM 0 HH11 ARG A 56 33.521 4.868 -5.436 1.00 0.00 H new ATOM 0 HH12 ARG A 56 32.609 6.376 -5.564 1.00 0.00 H new ATOM 0 HH21 ARG A 56 30.631 5.706 -2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 56 30.987 6.846 -4.063 1.00 0.00 H new ATOM 864 N ALA A 57 37.692 4.756 0.667 1.00 0.00 N ATOM 865 CA ALA A 57 38.506 5.022 1.890 1.00 0.00 C ATOM 866 C ALA A 57 39.394 6.258 1.699 1.00 0.00 C ATOM 867 O ALA A 57 39.253 7.239 2.406 1.00 0.00 O ATOM 868 CB ALA A 57 39.359 3.766 2.079 1.00 0.00 C ATOM 0 H ALA A 57 38.103 4.093 0.010 1.00 0.00 H new ATOM 0 HA ALA A 57 37.880 5.227 2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 57 39.988 3.883 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 57 38.709 2.901 2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 57 39.988 3.618 1.201 1.00 0.00 H new ATOM 874 N CYS A 58 40.310 6.220 0.763 1.00 0.00 N ATOM 875 CA CYS A 58 41.211 7.395 0.544 1.00 0.00 C ATOM 876 C CYS A 58 40.577 8.392 -0.432 1.00 0.00 C ATOM 877 O CYS A 58 40.676 9.592 -0.252 1.00 0.00 O ATOM 878 CB CYS A 58 42.501 6.807 -0.039 1.00 0.00 C ATOM 879 SG CYS A 58 43.720 6.592 1.283 1.00 0.00 S ATOM 0 H CYS A 58 40.473 5.428 0.142 1.00 0.00 H new ATOM 0 HA CYS A 58 41.396 7.944 1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.293 5.849 -0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 58 42.898 7.467 -0.810 1.00 0.00 H new ATOM 884 N LYS A 59 39.926 7.909 -1.459 1.00 0.00 N ATOM 885 CA LYS A 59 39.284 8.833 -2.445 1.00 0.00 C ATOM 886 C LYS A 59 37.840 9.147 -2.030 1.00 0.00 C ATOM 887 O LYS A 59 36.937 9.120 -2.843 1.00 0.00 O ATOM 888 CB LYS A 59 39.305 8.072 -3.769 1.00 0.00 C ATOM 889 CG LYS A 59 39.378 9.072 -4.926 1.00 0.00 C ATOM 890 CD LYS A 59 40.032 8.410 -6.148 1.00 0.00 C ATOM 891 CE LYS A 59 39.002 8.259 -7.273 1.00 0.00 C ATOM 892 NZ LYS A 59 39.036 9.555 -8.005 1.00 0.00 N ATOM 0 H LYS A 59 39.811 6.915 -1.658 1.00 0.00 H new ATOM 0 HA LYS A 59 39.806 9.788 -2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 59 40.161 7.398 -3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 59 38.411 7.456 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 59 38.377 9.419 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 59 39.952 9.948 -4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 59 40.873 9.012 -6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 59 40.430 7.433 -5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 59 39.255 7.428 -7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 59 38.008 8.058 -6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 38.356 9.528 -8.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 38.784 10.327 -7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 39.992 9.717 -8.380 1.00 0.00 H new ATOM 906 N LYS A 60 37.619 9.448 -0.773 1.00 0.00 N ATOM 907 CA LYS A 60 36.235 9.770 -0.305 1.00 0.00 C ATOM 908 C LYS A 60 35.806 11.144 -0.829 1.00 0.00 C ATOM 909 O LYS A 60 36.398 12.156 -0.501 1.00 0.00 O ATOM 910 CB LYS A 60 36.309 9.775 1.229 1.00 0.00 C ATOM 911 CG LYS A 60 37.344 10.807 1.706 1.00 0.00 C ATOM 912 CD LYS A 60 36.629 12.015 2.330 1.00 0.00 C ATOM 913 CE LYS A 60 36.698 11.928 3.857 1.00 0.00 C ATOM 914 NZ LYS A 60 37.991 12.571 4.219 1.00 0.00 N ATOM 0 H LYS A 60 38.338 9.484 -0.051 1.00 0.00 H new ATOM 0 HA LYS A 60 35.504 9.048 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 60 35.330 10.010 1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 60 36.580 8.783 1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 60 38.013 10.353 2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 60 37.960 11.131 0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 60 37.093 12.940 1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 60 35.589 12.041 2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 60 35.857 12.444 4.321 1.00 0.00 H new ATOM 0 HE3 LYS A 60 36.663 10.893 4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 38.112 12.551 5.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 38.774 12.055 3.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 37.992 13.557 3.890 1.00 0.00 H new