USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 449 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 24 ASN : amide:sc=-0.000192 K(o=-12,f=-11) USER MOD Set 1.2: A 26 CYS SG : rot 40:sc= 1.21 USER MOD Set 1.3: A 28 HIS : no HE2:sc= -10.6! C(o=-12!,f=-10!) USER MOD Set 1.4: A 46 CYS SG : rot 127:sc= -2.4! USER MOD Set 1.5: A 49 CYS SG : rot 1:sc= -0.174! USER MOD Set 2.1: A 6 CYS SG : rot 65:sc= -10.7! USER MOD Set 2.2: A 9 CYS SG : rot -129:sc= -2.16 USER MOD Set 2.3: A 12 THR OG1 : rot -20:sc= -3.13! USER MOD Set 2.4: A 31 CYS SG : rot -131:sc= -8.41! USER MOD Set 2.5: A 33 SER OG : rot 73:sc= 0.251! USER MOD Set 2.6: A 34 CYS SG : rot 11:sc= -6.6! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 71:sc= -4.28! USER MOD Single : A 13 LYS NZ :NH3+ -122:sc= -4.49! (180deg=-7.57!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 29:sc= 0.479 USER MOD Single : A 45 ASN : amide:sc= -2.32! C(o=-2.3!,f=-2.6!) USER MOD Single : A 51 THR OG1 : rot -141:sc= -2.07! USER MOD Single : A 55 LYS NZ :NH3+ -127:sc= -0.0288 (180deg=-0.417) USER MOD Single : A 56 SER OG : rot 180:sc= -0.635 USER MOD Single : A 57 ASN : amide:sc= -20.3! C(o=-20!,f=-22!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 -8.485 -7.309 -2.208 1.00 0.00 N ATOM 62 CA GLY A 5 -7.823 -6.084 -2.733 1.00 0.00 C ATOM 63 C GLY A 5 -6.782 -5.593 -1.730 1.00 0.00 C ATOM 64 O GLY A 5 -6.026 -6.373 -1.186 1.00 0.00 O ATOM 0 HA2 GLY A 5 -7.348 -6.298 -3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.565 -5.306 -2.912 1.00 0.00 H new ATOM 68 N CYS A 6 -6.732 -4.303 -1.487 1.00 0.00 N ATOM 69 CA CYS A 6 -5.739 -3.750 -0.523 1.00 0.00 C ATOM 70 C CYS A 6 -5.462 -4.734 0.630 1.00 0.00 C ATOM 71 O CYS A 6 -6.376 -5.251 1.241 1.00 0.00 O ATOM 72 CB CYS A 6 -6.393 -2.476 0.030 1.00 0.00 C ATOM 73 SG CYS A 6 -5.628 -2.071 1.610 1.00 0.00 S ATOM 0 H CYS A 6 -7.342 -3.610 -1.920 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.781 -3.561 -1.008 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.268 -1.652 -0.672 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.465 -2.626 0.157 1.00 0.00 H new ATOM 0 HG CYS A 6 -4.377 -1.771 1.422 1.00 0.00 H new ATOM 78 N PRO A 7 -4.197 -4.924 0.906 1.00 0.00 N ATOM 79 CA PRO A 7 -3.774 -5.804 2.015 1.00 0.00 C ATOM 80 C PRO A 7 -3.633 -5.000 3.321 1.00 0.00 C ATOM 81 O PRO A 7 -3.908 -5.493 4.397 1.00 0.00 O ATOM 82 CB PRO A 7 -2.410 -6.298 1.554 1.00 0.00 C ATOM 83 CG PRO A 7 -1.890 -5.245 0.615 1.00 0.00 C ATOM 84 CD PRO A 7 -3.048 -4.360 0.204 1.00 0.00 C ATOM 0 HA PRO A 7 -4.483 -6.606 2.223 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.737 -6.434 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.492 -7.263 1.053 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.114 -4.653 1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.437 -5.708 -0.261 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.877 -3.322 0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.195 -4.373 -0.876 1.00 0.00 H new ATOM 92 N ARG A 8 -3.185 -3.771 3.232 1.00 0.00 N ATOM 93 CA ARG A 8 -2.997 -2.935 4.463 1.00 0.00 C ATOM 94 C ARG A 8 -4.309 -2.250 4.880 1.00 0.00 C ATOM 95 O ARG A 8 -4.907 -2.586 5.884 1.00 0.00 O ATOM 96 CB ARG A 8 -1.950 -1.882 4.067 1.00 0.00 C ATOM 97 CG ARG A 8 -1.117 -1.495 5.290 1.00 0.00 C ATOM 98 CD ARG A 8 0.354 -1.369 4.888 1.00 0.00 C ATOM 99 NE ARG A 8 0.925 -0.371 5.836 1.00 0.00 N ATOM 100 CZ ARG A 8 0.796 -0.546 7.124 1.00 0.00 C ATOM 101 NH1 ARG A 8 -0.246 -0.065 7.747 1.00 0.00 N ATOM 102 NH2 ARG A 8 1.709 -1.200 7.789 1.00 0.00 N ATOM 0 H ARG A 8 -2.940 -3.308 2.357 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.684 -3.539 5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.302 -2.276 3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.444 -1.001 3.658 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.474 -0.551 5.702 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.228 -2.247 6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.868 -2.327 4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.454 -1.036 3.855 1.00 0.00 H new ATOM 0 HE ARG A 8 1.416 0.449 5.479 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.959 0.447 7.228 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.347 -0.202 8.753 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.524 -1.575 7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.608 -1.336 8.795 1.00 0.00 H new ATOM 116 N CYS A 9 -4.748 -1.286 4.119 1.00 0.00 N ATOM 117 CA CYS A 9 -6.021 -0.555 4.467 1.00 0.00 C ATOM 118 C CYS A 9 -7.205 -1.033 3.617 1.00 0.00 C ATOM 119 O CYS A 9 -7.799 -0.251 2.902 1.00 0.00 O ATOM 120 CB CYS A 9 -5.788 0.943 4.173 1.00 0.00 C ATOM 121 SG CYS A 9 -4.379 1.264 3.050 1.00 0.00 S ATOM 0 H CYS A 9 -4.286 -0.965 3.268 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.260 -0.742 5.514 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -6.693 1.363 3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -5.617 1.466 5.114 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.596 2.156 3.581 1.00 0.00 H new ATOM 126 N LYS A 10 -7.525 -2.308 3.647 1.00 0.00 N ATOM 127 CA LYS A 10 -8.648 -2.823 2.793 1.00 0.00 C ATOM 128 C LYS A 10 -9.758 -1.774 2.683 1.00 0.00 C ATOM 129 O LYS A 10 -10.587 -1.630 3.559 1.00 0.00 O ATOM 130 CB LYS A 10 -9.141 -4.097 3.491 1.00 0.00 C ATOM 131 CG LYS A 10 -9.961 -3.739 4.732 1.00 0.00 C ATOM 132 CD LYS A 10 -9.982 -4.929 5.694 1.00 0.00 C ATOM 133 CE LYS A 10 -8.686 -4.952 6.508 1.00 0.00 C ATOM 134 NZ LYS A 10 -8.999 -4.187 7.747 1.00 0.00 N ATOM 0 H LYS A 10 -7.060 -3.011 4.222 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.328 -3.035 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.748 -4.685 2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.290 -4.717 3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.531 -2.867 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.978 -3.473 4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.841 -4.856 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.090 -5.859 5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.383 -5.973 6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.865 -4.493 5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.158 -4.158 8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.278 -3.217 7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.780 -4.651 8.254 1.00 0.00 H new ATOM 148 N THR A 11 -9.772 -1.001 1.624 1.00 0.00 N ATOM 149 CA THR A 11 -10.823 0.051 1.521 1.00 0.00 C ATOM 150 C THR A 11 -10.642 0.936 0.275 1.00 0.00 C ATOM 151 O THR A 11 -11.559 1.172 -0.480 1.00 0.00 O ATOM 152 CB THR A 11 -10.618 0.886 2.816 1.00 0.00 C ATOM 153 OG1 THR A 11 -11.857 1.012 3.498 1.00 0.00 O ATOM 154 CG2 THR A 11 -10.033 2.292 2.513 1.00 0.00 C ATOM 0 H THR A 11 -9.116 -1.052 0.845 1.00 0.00 H new ATOM 0 HA THR A 11 -11.822 -0.374 1.424 1.00 0.00 H new ATOM 0 HB THR A 11 -9.898 0.362 3.444 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.107 0.147 3.884 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.906 2.842 3.446 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.067 2.186 2.020 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.715 2.837 1.861 1.00 0.00 H new ATOM 162 N THR A 12 -9.477 1.484 0.132 1.00 0.00 N ATOM 163 CA THR A 12 -9.188 2.445 -0.961 1.00 0.00 C ATOM 164 C THR A 12 -10.028 2.237 -2.249 1.00 0.00 C ATOM 165 O THR A 12 -10.783 3.100 -2.609 1.00 0.00 O ATOM 166 CB THR A 12 -7.680 2.322 -1.182 1.00 0.00 C ATOM 167 OG1 THR A 12 -7.166 3.595 -1.544 1.00 0.00 O ATOM 168 CG2 THR A 12 -7.398 1.318 -2.275 1.00 0.00 C ATOM 0 H THR A 12 -8.685 1.300 0.748 1.00 0.00 H new ATOM 0 HA THR A 12 -9.482 3.457 -0.682 1.00 0.00 H new ATOM 0 HB THR A 12 -7.199 1.979 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.895 4.160 -1.877 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.322 1.237 -2.426 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.799 0.346 -1.988 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.870 1.646 -3.201 1.00 0.00 H new ATOM 176 N LYS A 13 -9.929 1.157 -2.971 1.00 0.00 N ATOM 177 CA LYS A 13 -10.753 1.074 -4.208 1.00 0.00 C ATOM 178 C LYS A 13 -12.206 0.809 -3.835 1.00 0.00 C ATOM 179 O LYS A 13 -13.116 1.313 -4.463 1.00 0.00 O ATOM 180 CB LYS A 13 -10.126 -0.043 -5.041 1.00 0.00 C ATOM 181 CG LYS A 13 -10.565 -1.404 -4.528 1.00 0.00 C ATOM 182 CD LYS A 13 -9.648 -1.791 -3.381 1.00 0.00 C ATOM 183 CE LYS A 13 -9.664 -3.309 -3.220 1.00 0.00 C ATOM 184 NZ LYS A 13 -8.927 -3.828 -4.408 1.00 0.00 N ATOM 0 H LYS A 13 -9.335 0.353 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.764 1.998 -4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.416 0.069 -6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.039 0.033 -5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.601 -1.369 -4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.513 -2.146 -5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.633 -1.444 -3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.976 -1.311 -2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.181 -3.613 -2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.684 -3.692 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.542 -4.473 -4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.645 -3.033 -5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.079 -4.341 -4.093 1.00 0.00 H new ATOM 198 N TYR A 14 -12.436 0.076 -2.784 1.00 0.00 N ATOM 199 CA TYR A 14 -13.838 -0.144 -2.353 1.00 0.00 C ATOM 200 C TYR A 14 -14.407 1.229 -2.006 1.00 0.00 C ATOM 201 O TYR A 14 -15.553 1.542 -2.264 1.00 0.00 O ATOM 202 CB TYR A 14 -13.740 -1.054 -1.124 1.00 0.00 C ATOM 203 CG TYR A 14 -14.937 -1.975 -1.083 1.00 0.00 C ATOM 204 CD1 TYR A 14 -15.378 -2.603 -2.254 1.00 0.00 C ATOM 205 CD2 TYR A 14 -15.603 -2.203 0.127 1.00 0.00 C ATOM 206 CE1 TYR A 14 -16.486 -3.457 -2.215 1.00 0.00 C ATOM 207 CE2 TYR A 14 -16.711 -3.058 0.166 1.00 0.00 C ATOM 208 CZ TYR A 14 -17.152 -3.685 -1.005 1.00 0.00 C ATOM 209 OH TYR A 14 -18.245 -4.527 -0.966 1.00 0.00 O ATOM 0 H TYR A 14 -11.722 -0.375 -2.212 1.00 0.00 H new ATOM 0 HA TYR A 14 -14.483 -0.604 -3.102 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.820 -1.637 -1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -13.699 -0.453 -0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -14.863 -2.428 -3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -15.262 -1.719 1.030 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -16.827 -3.940 -3.119 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -17.225 -3.234 1.099 1.00 0.00 H new ATOM 0 HH TYR A 14 -18.588 -4.575 -0.049 1.00 0.00 H new ATOM 219 N ARG A 15 -13.569 2.057 -1.447 1.00 0.00 N ATOM 220 CA ARG A 15 -13.959 3.446 -1.085 1.00 0.00 C ATOM 221 C ARG A 15 -13.676 4.379 -2.260 1.00 0.00 C ATOM 222 O ARG A 15 -14.546 4.734 -3.029 1.00 0.00 O ATOM 223 CB ARG A 15 -13.022 3.779 0.065 1.00 0.00 C ATOM 224 CG ARG A 15 -13.805 3.782 1.367 1.00 0.00 C ATOM 225 CD ARG A 15 -13.409 2.540 2.152 1.00 0.00 C ATOM 226 NE ARG A 15 -13.732 1.388 1.251 1.00 0.00 N ATOM 227 CZ ARG A 15 -14.815 0.691 1.463 1.00 0.00 C ATOM 228 NH1 ARG A 15 -14.880 -0.120 2.484 1.00 0.00 N ATOM 229 NH2 ARG A 15 -15.834 0.804 0.656 1.00 0.00 N ATOM 0 H ARG A 15 -12.603 1.820 -1.220 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.014 3.549 -0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.215 3.048 0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -12.561 4.753 -0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -13.587 4.682 1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.877 3.782 1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.349 2.556 2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -13.961 2.474 3.090 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.111 1.150 0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -14.084 -0.209 3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.726 -0.665 2.650 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.785 1.438 -0.142 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -16.680 0.259 0.823 1.00 0.00 H new ATOM 243 N ASN A 16 -12.432 4.741 -2.403 1.00 0.00 N ATOM 244 CA ASN A 16 -12.004 5.614 -3.520 1.00 0.00 C ATOM 245 C ASN A 16 -12.315 4.896 -4.844 1.00 0.00 C ATOM 246 O ASN A 16 -12.049 3.719 -4.981 1.00 0.00 O ATOM 247 CB ASN A 16 -10.487 5.742 -3.311 1.00 0.00 C ATOM 248 CG ASN A 16 -10.130 7.065 -2.651 1.00 0.00 C ATOM 249 OD1 ASN A 16 -10.983 7.885 -2.376 1.00 0.00 O ATOM 250 ND2 ASN A 16 -8.875 7.295 -2.387 1.00 0.00 N ATOM 0 H ASN A 16 -11.680 4.459 -1.775 1.00 0.00 H new ATOM 0 HA ASN A 16 -12.499 6.585 -3.549 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.132 4.917 -2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.977 5.663 -4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.599 8.172 -1.944 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.168 6.598 -2.623 1.00 0.00 H new ATOM 257 N PRO A 17 -12.899 5.604 -5.770 1.00 0.00 N ATOM 258 CA PRO A 17 -13.252 5.003 -7.068 1.00 0.00 C ATOM 259 C PRO A 17 -12.198 5.301 -8.141 1.00 0.00 C ATOM 260 O PRO A 17 -12.235 4.743 -9.220 1.00 0.00 O ATOM 261 CB PRO A 17 -14.555 5.721 -7.406 1.00 0.00 C ATOM 262 CG PRO A 17 -14.495 7.039 -6.668 1.00 0.00 C ATOM 263 CD PRO A 17 -13.319 6.997 -5.712 1.00 0.00 C ATOM 0 HA PRO A 17 -13.326 3.916 -7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.649 5.877 -8.481 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.419 5.135 -7.092 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.383 7.863 -7.372 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -15.422 7.211 -6.122 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.522 7.672 -6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -13.609 7.289 -4.703 1.00 0.00 H new ATOM 271 N SER A 18 -11.277 6.186 -7.881 1.00 0.00 N ATOM 272 CA SER A 18 -10.262 6.509 -8.925 1.00 0.00 C ATOM 273 C SER A 18 -8.843 6.175 -8.457 1.00 0.00 C ATOM 274 O SER A 18 -8.023 7.053 -8.275 1.00 0.00 O ATOM 275 CB SER A 18 -10.403 8.013 -9.154 1.00 0.00 C ATOM 276 OG SER A 18 -9.765 8.364 -10.375 1.00 0.00 O ATOM 0 H SER A 18 -11.182 6.695 -7.002 1.00 0.00 H new ATOM 0 HA SER A 18 -10.425 5.927 -9.832 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.457 8.290 -9.188 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.956 8.562 -8.326 1.00 0.00 H new ATOM 0 HG SER A 18 -9.855 9.328 -10.526 1.00 0.00 H new ATOM 282 N LEU A 19 -8.535 4.920 -8.271 1.00 0.00 N ATOM 283 CA LEU A 19 -7.152 4.568 -7.830 1.00 0.00 C ATOM 284 C LEU A 19 -6.668 3.264 -8.497 1.00 0.00 C ATOM 285 O LEU A 19 -7.118 2.896 -9.563 1.00 0.00 O ATOM 286 CB LEU A 19 -7.238 4.423 -6.306 1.00 0.00 C ATOM 287 CG LEU A 19 -8.341 3.431 -5.865 1.00 0.00 C ATOM 288 CD1 LEU A 19 -9.685 4.134 -5.890 1.00 0.00 C ATOM 289 CD2 LEU A 19 -8.425 2.209 -6.783 1.00 0.00 C ATOM 0 H LEU A 19 -9.170 4.132 -8.403 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.428 5.331 -8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.276 4.085 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.433 5.399 -5.862 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.087 3.090 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.465 3.439 -5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.664 4.984 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.893 4.486 -6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.213 1.543 -6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.649 2.532 -7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.472 1.680 -6.773 1.00 0.00 H new ATOM 301 N LYS A 20 -5.777 2.553 -7.851 1.00 0.00 N ATOM 302 CA LYS A 20 -5.281 1.253 -8.408 1.00 0.00 C ATOM 303 C LYS A 20 -4.217 0.651 -7.471 1.00 0.00 C ATOM 304 O LYS A 20 -3.478 1.356 -6.809 1.00 0.00 O ATOM 305 CB LYS A 20 -4.694 1.587 -9.783 1.00 0.00 C ATOM 306 CG LYS A 20 -3.995 2.948 -9.727 1.00 0.00 C ATOM 307 CD LYS A 20 -3.036 3.084 -10.912 1.00 0.00 C ATOM 308 CE LYS A 20 -3.722 3.858 -12.040 1.00 0.00 C ATOM 309 NZ LYS A 20 -2.826 3.696 -13.218 1.00 0.00 N ATOM 0 H LYS A 20 -5.368 2.818 -6.955 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.075 0.511 -8.496 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.986 0.815 -10.084 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.485 1.604 -10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.734 3.749 -9.751 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.447 3.048 -8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.129 3.602 -10.601 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.735 2.097 -11.265 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.717 3.461 -12.243 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.845 4.909 -11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.230 4.200 -14.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.889 4.089 -12.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.733 2.686 -13.447 1.00 0.00 H new ATOM 323 N LEU A 21 -4.156 -0.649 -7.382 1.00 0.00 N ATOM 324 CA LEU A 21 -3.178 -1.281 -6.447 1.00 0.00 C ATOM 325 C LEU A 21 -1.825 -1.532 -7.110 1.00 0.00 C ATOM 326 O LEU A 21 -1.737 -1.845 -8.281 1.00 0.00 O ATOM 327 CB LEU A 21 -3.835 -2.601 -6.041 1.00 0.00 C ATOM 328 CG LEU A 21 -4.787 -2.371 -4.858 1.00 0.00 C ATOM 329 CD1 LEU A 21 -5.570 -1.068 -5.056 1.00 0.00 C ATOM 330 CD2 LEU A 21 -5.769 -3.541 -4.767 1.00 0.00 C ATOM 0 H LEU A 21 -4.736 -1.299 -7.912 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.965 -0.634 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.384 -3.018 -6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.071 -3.328 -5.767 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.204 -2.301 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.242 -0.915 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.874 -0.232 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.152 -1.129 -5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.447 -3.382 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.344 -3.607 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.217 -4.469 -4.617 1.00 0.00 H new ATOM 342 N MET A 22 -0.766 -1.389 -6.355 1.00 0.00 N ATOM 343 CA MET A 22 0.595 -1.609 -6.919 1.00 0.00 C ATOM 344 C MET A 22 1.263 -2.796 -6.225 1.00 0.00 C ATOM 345 O MET A 22 0.758 -3.330 -5.260 1.00 0.00 O ATOM 346 CB MET A 22 1.393 -0.315 -6.653 1.00 0.00 C ATOM 347 CG MET A 22 0.478 0.802 -6.124 1.00 0.00 C ATOM 348 SD MET A 22 1.378 2.373 -6.092 1.00 0.00 S ATOM 349 CE MET A 22 0.002 3.410 -5.537 1.00 0.00 C ATOM 0 H MET A 22 -0.788 -1.128 -5.369 1.00 0.00 H new ATOM 0 HA MET A 22 0.552 -1.831 -7.985 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.184 -0.514 -5.930 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.877 0.013 -7.573 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.405 0.891 -6.757 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.128 0.553 -5.122 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.338 4.443 -5.447 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.810 3.355 -6.262 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.351 3.058 -4.568 1.00 0.00 H new ATOM 359 N VAL A 23 2.396 -3.214 -6.714 1.00 0.00 N ATOM 360 CA VAL A 23 3.100 -4.367 -6.087 1.00 0.00 C ATOM 361 C VAL A 23 4.572 -4.008 -5.850 1.00 0.00 C ATOM 362 O VAL A 23 5.034 -2.953 -6.240 1.00 0.00 O ATOM 363 CB VAL A 23 2.945 -5.512 -7.101 1.00 0.00 C ATOM 364 CG1 VAL A 23 4.188 -6.412 -7.105 1.00 0.00 C ATOM 365 CG2 VAL A 23 1.723 -6.353 -6.729 1.00 0.00 C ATOM 0 H VAL A 23 2.866 -2.806 -7.522 1.00 0.00 H new ATOM 0 HA VAL A 23 2.694 -4.644 -5.114 1.00 0.00 H new ATOM 0 HB VAL A 23 2.822 -5.080 -8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.054 -7.214 -7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.064 -5.822 -7.375 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.330 -6.840 -6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.609 -7.166 -7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.856 -6.766 -5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.831 -5.727 -6.747 1.00 0.00 H new ATOM 375 N ASN A 24 5.309 -4.873 -5.211 1.00 0.00 N ATOM 376 CA ASN A 24 6.748 -4.576 -4.944 1.00 0.00 C ATOM 377 C ASN A 24 7.615 -5.776 -5.331 1.00 0.00 C ATOM 378 O ASN A 24 7.114 -6.813 -5.717 1.00 0.00 O ATOM 379 CB ASN A 24 6.876 -4.296 -3.433 1.00 0.00 C ATOM 380 CG ASN A 24 5.540 -4.513 -2.710 1.00 0.00 C ATOM 381 OD1 ASN A 24 5.241 -5.607 -2.274 1.00 0.00 O ATOM 382 ND2 ASN A 24 4.721 -3.507 -2.563 1.00 0.00 N ATOM 0 H ASN A 24 4.979 -5.773 -4.861 1.00 0.00 H new ATOM 0 HA ASN A 24 7.083 -3.720 -5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.635 -4.950 -3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.213 -3.271 -3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.831 -3.640 -2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.971 -2.588 -2.929 1.00 0.00 H new ATOM 389 N VAL A 25 8.913 -5.629 -5.228 1.00 0.00 N ATOM 390 CA VAL A 25 9.847 -6.740 -5.580 1.00 0.00 C ATOM 391 C VAL A 25 9.220 -8.102 -5.260 1.00 0.00 C ATOM 392 O VAL A 25 9.181 -8.988 -6.090 1.00 0.00 O ATOM 393 CB VAL A 25 11.085 -6.493 -4.714 1.00 0.00 C ATOM 394 CG1 VAL A 25 10.669 -6.249 -3.262 1.00 0.00 C ATOM 395 CG2 VAL A 25 12.000 -7.712 -4.778 1.00 0.00 C ATOM 0 H VAL A 25 9.370 -4.774 -4.910 1.00 0.00 H new ATOM 0 HA VAL A 25 10.085 -6.758 -6.644 1.00 0.00 H new ATOM 0 HB VAL A 25 11.612 -5.615 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.556 -6.074 -2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.017 -5.377 -3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.136 -7.122 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.882 -7.538 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.466 -8.587 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.306 -7.883 -5.810 1.00 0.00 H new ATOM 405 N CYS A 26 8.705 -8.267 -4.072 1.00 0.00 N ATOM 406 CA CYS A 26 8.055 -9.561 -3.717 1.00 0.00 C ATOM 407 C CYS A 26 6.620 -9.541 -4.218 1.00 0.00 C ATOM 408 O CYS A 26 5.772 -8.866 -3.674 1.00 0.00 O ATOM 409 CB CYS A 26 8.082 -9.641 -2.193 1.00 0.00 C ATOM 410 SG CYS A 26 7.294 -8.166 -1.512 1.00 0.00 S ATOM 0 H CYS A 26 8.706 -7.564 -3.333 1.00 0.00 H new ATOM 0 HA CYS A 26 8.562 -10.417 -4.162 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.561 -10.536 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.110 -9.716 -1.838 1.00 0.00 H new ATOM 0 HG CYS A 26 6.252 -7.861 -2.227 1.00 0.00 H new ATOM 415 N GLY A 27 6.360 -10.262 -5.263 1.00 0.00 N ATOM 416 CA GLY A 27 4.986 -10.297 -5.847 1.00 0.00 C ATOM 417 C GLY A 27 3.933 -10.263 -4.736 1.00 0.00 C ATOM 418 O GLY A 27 3.510 -11.287 -4.238 1.00 0.00 O ATOM 0 H GLY A 27 7.046 -10.839 -5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.846 -9.447 -6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.862 -11.198 -6.447 1.00 0.00 H new ATOM 422 N HIS A 28 3.497 -9.092 -4.353 1.00 0.00 N ATOM 423 CA HIS A 28 2.462 -8.997 -3.286 1.00 0.00 C ATOM 424 C HIS A 28 1.421 -7.938 -3.665 1.00 0.00 C ATOM 425 O HIS A 28 0.684 -8.126 -4.611 1.00 0.00 O ATOM 426 CB HIS A 28 3.228 -8.659 -1.996 1.00 0.00 C ATOM 427 CG HIS A 28 3.603 -9.959 -1.337 1.00 0.00 C ATOM 428 ND1 HIS A 28 4.539 -10.076 -0.300 1.00 0.00 N ATOM 429 CD2 HIS A 28 3.132 -11.234 -1.555 1.00 0.00 C ATOM 430 CE1 HIS A 28 4.576 -11.382 0.041 1.00 0.00 C ATOM 431 NE2 HIS A 28 3.745 -12.119 -0.688 1.00 0.00 N ATOM 0 H HIS A 28 3.813 -8.200 -4.733 1.00 0.00 H new ATOM 0 HA HIS A 28 1.901 -9.922 -3.150 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.119 -8.073 -2.222 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.610 -8.056 -1.330 1.00 0.00 H new ATOM 0 HD1 HIS A 28 5.085 -9.322 0.116 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.392 -11.503 -2.295 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.210 -11.782 0.819 1.00 0.00 H new ATOM 439 N THR A 29 1.330 -6.839 -2.963 1.00 0.00 N ATOM 440 CA THR A 29 0.302 -5.823 -3.343 1.00 0.00 C ATOM 441 C THR A 29 0.374 -4.594 -2.425 1.00 0.00 C ATOM 442 O THR A 29 0.892 -4.649 -1.331 1.00 0.00 O ATOM 443 CB THR A 29 -1.037 -6.563 -3.182 1.00 0.00 C ATOM 444 OG1 THR A 29 -1.383 -7.186 -4.411 1.00 0.00 O ATOM 445 CG2 THR A 29 -2.154 -5.588 -2.792 1.00 0.00 C ATOM 0 H THR A 29 1.910 -6.602 -2.158 1.00 0.00 H new ATOM 0 HA THR A 29 0.445 -5.442 -4.354 1.00 0.00 H new ATOM 0 HB THR A 29 -0.925 -7.309 -2.395 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.567 -7.403 -4.909 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.092 -6.133 -2.684 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.903 -5.106 -1.847 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.263 -4.830 -3.568 1.00 0.00 H new ATOM 453 N LEU A 30 -0.161 -3.494 -2.881 1.00 0.00 N ATOM 454 CA LEU A 30 -0.157 -2.234 -2.076 1.00 0.00 C ATOM 455 C LEU A 30 -1.145 -1.255 -2.711 1.00 0.00 C ATOM 456 O LEU A 30 -0.850 -0.621 -3.704 1.00 0.00 O ATOM 457 CB LEU A 30 1.271 -1.712 -2.192 1.00 0.00 C ATOM 458 CG LEU A 30 1.589 -0.725 -1.071 1.00 0.00 C ATOM 459 CD1 LEU A 30 1.760 -1.472 0.249 1.00 0.00 C ATOM 460 CD2 LEU A 30 2.891 -0.010 -1.406 1.00 0.00 C ATOM 0 H LEU A 30 -0.609 -3.412 -3.794 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.448 -2.375 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.971 -2.547 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.406 -1.226 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 30 0.773 -0.009 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.987 -0.760 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.838 -2.002 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.577 -2.188 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.131 0.699 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.695 -0.741 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.780 0.524 -2.350 1.00 0.00 H new ATOM 472 N CYS A 31 -2.329 -1.154 -2.177 1.00 0.00 N ATOM 473 CA CYS A 31 -3.337 -0.247 -2.793 1.00 0.00 C ATOM 474 C CYS A 31 -2.938 1.216 -2.697 1.00 0.00 C ATOM 475 O CYS A 31 -2.076 1.612 -1.939 1.00 0.00 O ATOM 476 CB CYS A 31 -4.651 -0.476 -2.023 1.00 0.00 C ATOM 477 SG CYS A 31 -4.821 0.711 -0.658 1.00 0.00 S ATOM 0 H CYS A 31 -2.642 -1.656 -1.346 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.431 -0.470 -3.856 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.497 -0.377 -2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.674 -1.493 -1.631 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.133 0.076 0.433 1.00 0.00 H new ATOM 482 N GLU A 32 -3.626 2.009 -3.446 1.00 0.00 N ATOM 483 CA GLU A 32 -3.392 3.480 -3.418 1.00 0.00 C ATOM 484 C GLU A 32 -3.258 3.941 -1.957 1.00 0.00 C ATOM 485 O GLU A 32 -2.334 4.646 -1.603 1.00 0.00 O ATOM 486 CB GLU A 32 -4.633 4.111 -4.095 1.00 0.00 C ATOM 487 CG GLU A 32 -5.902 3.300 -3.790 1.00 0.00 C ATOM 488 CD GLU A 32 -6.046 2.188 -4.834 1.00 0.00 C ATOM 489 OE1 GLU A 32 -5.166 2.097 -5.645 1.00 0.00 O ATOM 490 OE2 GLU A 32 -7.004 1.443 -4.795 1.00 0.00 O ATOM 0 H GLU A 32 -4.355 1.704 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.479 3.773 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.760 5.136 -3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.478 4.158 -5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.844 2.872 -2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.777 3.949 -3.808 1.00 0.00 H new ATOM 497 N SER A 33 -4.170 3.541 -1.106 1.00 0.00 N ATOM 498 CA SER A 33 -4.098 3.945 0.325 1.00 0.00 C ATOM 499 C SER A 33 -2.939 3.237 1.045 1.00 0.00 C ATOM 500 O SER A 33 -2.543 3.650 2.117 1.00 0.00 O ATOM 501 CB SER A 33 -5.443 3.537 0.946 1.00 0.00 C ATOM 502 OG SER A 33 -6.453 4.433 0.499 1.00 0.00 O ATOM 0 H SER A 33 -4.965 2.948 -1.346 1.00 0.00 H new ATOM 0 HA SER A 33 -3.916 5.015 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.694 2.515 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.377 3.558 2.034 1.00 0.00 H new ATOM 0 HG SER A 33 -6.661 4.249 -0.441 1.00 0.00 H new ATOM 508 N CYS A 34 -2.364 2.196 0.482 1.00 0.00 N ATOM 509 CA CYS A 34 -1.226 1.550 1.191 1.00 0.00 C ATOM 510 C CYS A 34 0.008 2.423 1.005 1.00 0.00 C ATOM 511 O CYS A 34 0.667 2.808 1.949 1.00 0.00 O ATOM 512 CB CYS A 34 -0.993 0.194 0.526 1.00 0.00 C ATOM 513 SG CYS A 34 -2.085 -1.073 1.208 1.00 0.00 S ATOM 0 H CYS A 34 -2.628 1.781 -0.411 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.430 1.427 2.255 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.160 0.280 -0.548 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.046 -0.107 0.664 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.986 -0.511 1.958 1.00 0.00 H new ATOM 518 N VAL A 35 0.310 2.750 -0.223 1.00 0.00 N ATOM 519 CA VAL A 35 1.485 3.614 -0.499 1.00 0.00 C ATOM 520 C VAL A 35 1.440 4.848 0.414 1.00 0.00 C ATOM 521 O VAL A 35 2.442 5.489 0.660 1.00 0.00 O ATOM 522 CB VAL A 35 1.358 3.975 -1.997 1.00 0.00 C ATOM 523 CG1 VAL A 35 1.456 5.486 -2.210 1.00 0.00 C ATOM 524 CG2 VAL A 35 2.485 3.304 -2.783 1.00 0.00 C ATOM 0 H VAL A 35 -0.211 2.453 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 35 2.442 3.132 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 35 0.385 3.627 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.363 5.710 -3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.655 5.983 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.420 5.843 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.394 3.559 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.447 3.651 -2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.418 2.223 -2.664 1.00 0.00 H new ATOM 534 N ASP A 36 0.283 5.189 0.916 1.00 0.00 N ATOM 535 CA ASP A 36 0.192 6.383 1.803 1.00 0.00 C ATOM 536 C ASP A 36 0.624 6.032 3.241 1.00 0.00 C ATOM 537 O ASP A 36 1.583 6.573 3.739 1.00 0.00 O ATOM 538 CB ASP A 36 -1.281 6.841 1.706 1.00 0.00 C ATOM 539 CG ASP A 36 -2.041 6.598 3.016 1.00 0.00 C ATOM 540 OD1 ASP A 36 -1.588 7.081 4.040 1.00 0.00 O ATOM 541 OD2 ASP A 36 -3.062 5.934 2.970 1.00 0.00 O ATOM 0 H ASP A 36 -0.595 4.697 0.752 1.00 0.00 H new ATOM 0 HA ASP A 36 0.863 7.187 1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.316 7.902 1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.775 6.306 0.895 1.00 0.00 H new ATOM 546 N LEU A 37 -0.054 5.141 3.915 1.00 0.00 N ATOM 547 CA LEU A 37 0.358 4.808 5.315 1.00 0.00 C ATOM 548 C LEU A 37 1.643 3.994 5.320 1.00 0.00 C ATOM 549 O LEU A 37 2.520 4.196 6.135 1.00 0.00 O ATOM 550 CB LEU A 37 -0.798 3.989 5.891 1.00 0.00 C ATOM 551 CG LEU A 37 -2.112 4.749 5.702 1.00 0.00 C ATOM 552 CD1 LEU A 37 -3.263 3.934 6.294 1.00 0.00 C ATOM 553 CD2 LEU A 37 -2.025 6.100 6.417 1.00 0.00 C ATOM 0 H LEU A 37 -0.866 4.633 3.564 1.00 0.00 H new ATOM 0 HA LEU A 37 0.555 5.705 5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.853 3.020 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.627 3.796 6.950 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.290 4.909 4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.199 4.476 6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.325 2.971 5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.086 3.774 7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.961 6.643 6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.848 5.938 7.480 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.205 6.682 5.997 1.00 0.00 H new ATOM 565 N LEU A 38 1.758 3.082 4.416 1.00 0.00 N ATOM 566 CA LEU A 38 2.980 2.245 4.353 1.00 0.00 C ATOM 567 C LEU A 38 4.233 3.123 4.404 1.00 0.00 C ATOM 568 O LEU A 38 5.139 2.896 5.182 1.00 0.00 O ATOM 569 CB LEU A 38 2.879 1.553 2.986 1.00 0.00 C ATOM 570 CG LEU A 38 3.738 0.280 2.937 1.00 0.00 C ATOM 571 CD1 LEU A 38 5.019 0.464 3.761 1.00 0.00 C ATOM 572 CD2 LEU A 38 2.937 -0.893 3.504 1.00 0.00 C ATOM 0 H LEU A 38 1.054 2.874 3.708 1.00 0.00 H new ATOM 0 HA LEU A 38 3.053 1.544 5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.839 1.300 2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.200 2.241 2.204 1.00 0.00 H new ATOM 0 HG LEU A 38 4.011 0.080 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.615 -0.447 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.596 1.296 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.757 0.675 4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.544 -1.798 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.660 -0.679 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.035 -1.039 2.910 1.00 0.00 H new ATOM 584 N PHE A 39 4.313 4.077 3.524 1.00 0.00 N ATOM 585 CA PHE A 39 5.532 4.936 3.437 1.00 0.00 C ATOM 586 C PHE A 39 5.474 6.212 4.281 1.00 0.00 C ATOM 587 O PHE A 39 6.504 6.725 4.669 1.00 0.00 O ATOM 588 CB PHE A 39 5.654 5.197 1.940 1.00 0.00 C ATOM 589 CG PHE A 39 5.567 3.834 1.311 1.00 0.00 C ATOM 590 CD1 PHE A 39 6.384 2.823 1.810 1.00 0.00 C ATOM 591 CD2 PHE A 39 4.630 3.552 0.320 1.00 0.00 C ATOM 592 CE1 PHE A 39 6.274 1.522 1.327 1.00 0.00 C ATOM 593 CE2 PHE A 39 4.527 2.250 -0.178 1.00 0.00 C ATOM 594 CZ PHE A 39 5.344 1.233 0.333 1.00 0.00 C ATOM 0 H PHE A 39 3.580 4.304 2.852 1.00 0.00 H new ATOM 0 HA PHE A 39 6.410 4.448 3.860 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.856 5.850 1.585 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.598 5.686 1.698 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.109 3.050 2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.988 4.333 -0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.907 0.741 1.722 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.815 2.027 -0.959 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.252 0.225 -0.044 1.00 0.00 H new ATOM 604 N VAL A 40 4.321 6.743 4.595 1.00 0.00 N ATOM 605 CA VAL A 40 4.341 7.981 5.439 1.00 0.00 C ATOM 606 C VAL A 40 5.235 7.713 6.646 1.00 0.00 C ATOM 607 O VAL A 40 5.819 8.611 7.219 1.00 0.00 O ATOM 608 CB VAL A 40 2.909 8.260 5.893 1.00 0.00 C ATOM 609 CG1 VAL A 40 2.086 8.798 4.723 1.00 0.00 C ATOM 610 CG2 VAL A 40 2.284 6.979 6.440 1.00 0.00 C ATOM 0 H VAL A 40 3.403 6.395 4.320 1.00 0.00 H new ATOM 0 HA VAL A 40 4.723 8.840 4.888 1.00 0.00 H new ATOM 0 HB VAL A 40 2.921 9.011 6.683 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.067 8.994 5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.533 9.723 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.070 8.061 3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.263 7.181 6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.274 6.217 5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.869 6.622 7.288 1.00 0.00 H new ATOM 620 N ARG A 41 5.361 6.465 7.019 1.00 0.00 N ATOM 621 CA ARG A 41 6.238 6.114 8.174 1.00 0.00 C ATOM 622 C ARG A 41 7.697 6.177 7.725 1.00 0.00 C ATOM 623 O ARG A 41 8.584 6.490 8.495 1.00 0.00 O ATOM 624 CB ARG A 41 5.870 4.678 8.571 1.00 0.00 C ATOM 625 CG ARG A 41 4.373 4.439 8.370 1.00 0.00 C ATOM 626 CD ARG A 41 3.911 3.292 9.272 1.00 0.00 C ATOM 627 NE ARG A 41 2.494 3.611 9.604 1.00 0.00 N ATOM 628 CZ ARG A 41 1.554 2.743 9.349 1.00 0.00 C ATOM 629 NH1 ARG A 41 1.270 1.814 10.219 1.00 0.00 N ATOM 630 NH2 ARG A 41 0.899 2.805 8.222 1.00 0.00 N ATOM 0 H ARG A 41 4.894 5.675 6.573 1.00 0.00 H new ATOM 0 HA ARG A 41 6.106 6.797 9.013 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.442 3.970 7.972 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.137 4.502 9.613 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.815 5.346 8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.170 4.199 7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.991 2.332 8.762 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.522 3.227 10.172 1.00 0.00 H new ATOM 0 HE ARG A 41 2.259 4.507 10.030 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.783 1.766 11.099 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.535 1.136 10.019 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.122 3.531 7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.164 2.127 8.021 1.00 0.00 H new ATOM 644 N GLY A 42 7.951 5.895 6.473 1.00 0.00 N ATOM 645 CA GLY A 42 9.352 5.956 5.973 1.00 0.00 C ATOM 646 C GLY A 42 9.682 4.755 5.071 1.00 0.00 C ATOM 647 O GLY A 42 10.826 4.556 4.713 1.00 0.00 O ATOM 0 H GLY A 42 7.252 5.627 5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.501 6.882 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.040 5.978 6.818 1.00 0.00 H new ATOM 651 N ALA A 43 8.720 3.949 4.687 1.00 0.00 N ATOM 652 CA ALA A 43 9.070 2.788 3.803 1.00 0.00 C ATOM 653 C ALA A 43 10.120 1.906 4.484 1.00 0.00 C ATOM 654 O ALA A 43 10.800 2.328 5.398 1.00 0.00 O ATOM 655 CB ALA A 43 9.651 3.428 2.542 1.00 0.00 C ATOM 0 H ALA A 43 7.735 4.038 4.937 1.00 0.00 H new ATOM 0 HA ALA A 43 8.211 2.152 3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.936 2.648 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.903 4.076 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.529 4.018 2.805 1.00 0.00 H new ATOM 661 N GLY A 44 10.257 0.684 4.047 1.00 0.00 N ATOM 662 CA GLY A 44 11.266 -0.216 4.672 1.00 0.00 C ATOM 663 C GLY A 44 10.666 -1.609 4.887 1.00 0.00 C ATOM 664 O GLY A 44 11.334 -2.513 5.349 1.00 0.00 O ATOM 0 H GLY A 44 9.716 0.271 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.147 -0.285 4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.594 0.199 5.625 1.00 0.00 H new ATOM 668 N ASN A 45 9.415 -1.795 4.562 1.00 0.00 N ATOM 669 CA ASN A 45 8.795 -3.138 4.759 1.00 0.00 C ATOM 670 C ASN A 45 7.669 -3.373 3.747 1.00 0.00 C ATOM 671 O ASN A 45 7.345 -2.519 2.946 1.00 0.00 O ATOM 672 CB ASN A 45 8.237 -3.112 6.182 1.00 0.00 C ATOM 673 CG ASN A 45 9.388 -2.969 7.179 1.00 0.00 C ATOM 674 OD1 ASN A 45 9.658 -1.888 7.662 1.00 0.00 O ATOM 675 ND2 ASN A 45 10.083 -4.023 7.512 1.00 0.00 N ATOM 0 H ASN A 45 8.799 -1.082 4.172 1.00 0.00 H new ATOM 0 HA ASN A 45 9.516 -3.942 4.613 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.539 -2.283 6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.680 -4.027 6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.852 -3.938 8.177 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.857 -4.932 7.107 1.00 0.00 H new ATOM 682 N CYS A 46 7.075 -4.534 3.786 1.00 0.00 N ATOM 683 CA CYS A 46 5.968 -4.856 2.837 1.00 0.00 C ATOM 684 C CYS A 46 4.624 -4.763 3.552 1.00 0.00 C ATOM 685 O CYS A 46 4.520 -5.073 4.722 1.00 0.00 O ATOM 686 CB CYS A 46 6.225 -6.307 2.430 1.00 0.00 C ATOM 687 SG CYS A 46 5.058 -6.844 1.142 1.00 0.00 S ATOM 0 H CYS A 46 7.310 -5.281 4.440 1.00 0.00 H new ATOM 0 HA CYS A 46 5.939 -4.174 1.987 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.247 -6.410 2.065 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.132 -6.954 3.302 1.00 0.00 H new ATOM 0 HG CYS A 46 5.718 -7.334 0.135 1.00 0.00 H new ATOM 692 N PRO A 47 3.630 -4.380 2.810 1.00 0.00 N ATOM 693 CA PRO A 47 2.252 -4.292 3.360 1.00 0.00 C ATOM 694 C PRO A 47 1.801 -5.668 3.868 1.00 0.00 C ATOM 695 O PRO A 47 0.799 -5.793 4.544 1.00 0.00 O ATOM 696 CB PRO A 47 1.433 -3.832 2.147 1.00 0.00 C ATOM 697 CG PRO A 47 2.255 -4.271 0.983 1.00 0.00 C ATOM 698 CD PRO A 47 3.663 -3.989 1.400 1.00 0.00 C ATOM 0 HA PRO A 47 2.150 -3.619 4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.444 -4.289 2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.285 -2.752 2.149 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.108 -5.329 0.768 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.990 -3.723 0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.385 -4.572 0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.927 -2.939 1.271 1.00 0.00 H new ATOM 706 N GLU A 48 2.537 -6.705 3.548 1.00 0.00 N ATOM 707 CA GLU A 48 2.143 -8.070 4.020 1.00 0.00 C ATOM 708 C GLU A 48 3.364 -8.919 4.458 1.00 0.00 C ATOM 709 O GLU A 48 3.247 -9.751 5.335 1.00 0.00 O ATOM 710 CB GLU A 48 1.411 -8.705 2.833 1.00 0.00 C ATOM 711 CG GLU A 48 2.402 -9.107 1.740 1.00 0.00 C ATOM 712 CD GLU A 48 2.319 -10.615 1.510 1.00 0.00 C ATOM 713 OE1 GLU A 48 3.026 -11.340 2.191 1.00 0.00 O ATOM 714 OE2 GLU A 48 1.548 -11.023 0.656 1.00 0.00 O ATOM 0 H GLU A 48 3.387 -6.667 2.985 1.00 0.00 H new ATOM 0 HA GLU A 48 1.513 -8.015 4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.856 -9.581 3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.683 -8.001 2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.177 -8.574 0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.415 -8.827 2.031 1.00 0.00 H new ATOM 721 N CYS A 49 4.528 -8.726 3.879 1.00 0.00 N ATOM 722 CA CYS A 49 5.715 -9.534 4.305 1.00 0.00 C ATOM 723 C CYS A 49 6.884 -8.606 4.692 1.00 0.00 C ATOM 724 O CYS A 49 7.695 -8.202 3.889 1.00 0.00 O ATOM 725 CB CYS A 49 6.037 -10.482 3.116 1.00 0.00 C ATOM 726 SG CYS A 49 7.193 -9.751 1.912 1.00 0.00 S ATOM 0 H CYS A 49 4.705 -8.050 3.136 1.00 0.00 H new ATOM 0 HA CYS A 49 5.522 -10.128 5.198 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.462 -11.408 3.502 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.110 -10.745 2.607 1.00 0.00 H new ATOM 0 HG CYS A 49 7.534 -8.560 2.306 1.00 0.00 H new ATOM 731 N GLY A 50 6.957 -8.246 5.942 1.00 0.00 N ATOM 732 CA GLY A 50 8.051 -7.340 6.401 1.00 0.00 C ATOM 733 C GLY A 50 9.377 -7.779 5.776 1.00 0.00 C ATOM 734 O GLY A 50 10.060 -8.644 6.286 1.00 0.00 O ATOM 0 H GLY A 50 6.305 -8.540 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.827 -6.311 6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.124 -7.364 7.488 1.00 0.00 H new ATOM 738 N THR A 51 9.744 -7.188 4.671 1.00 0.00 N ATOM 739 CA THR A 51 11.023 -7.568 4.008 1.00 0.00 C ATOM 740 C THR A 51 11.931 -6.333 3.894 1.00 0.00 C ATOM 741 O THR A 51 11.529 -5.239 4.238 1.00 0.00 O ATOM 742 CB THR A 51 10.590 -8.117 2.632 1.00 0.00 C ATOM 743 OG1 THR A 51 11.276 -9.335 2.377 1.00 0.00 O ATOM 744 CG2 THR A 51 10.894 -7.116 1.509 1.00 0.00 C ATOM 0 H THR A 51 9.212 -6.457 4.199 1.00 0.00 H new ATOM 0 HA THR A 51 11.602 -8.310 4.558 1.00 0.00 H new ATOM 0 HB THR A 51 9.513 -8.286 2.654 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.529 -9.376 1.431 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.577 -7.534 0.554 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.356 -6.186 1.695 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.965 -6.916 1.480 1.00 0.00 H new ATOM 752 N PRO A 52 13.130 -6.548 3.420 1.00 0.00 N ATOM 753 CA PRO A 52 14.095 -5.431 3.271 1.00 0.00 C ATOM 754 C PRO A 52 13.669 -4.507 2.129 1.00 0.00 C ATOM 755 O PRO A 52 14.031 -4.703 0.986 1.00 0.00 O ATOM 756 CB PRO A 52 15.413 -6.134 2.953 1.00 0.00 C ATOM 757 CG PRO A 52 15.016 -7.449 2.361 1.00 0.00 C ATOM 758 CD PRO A 52 13.695 -7.829 2.978 1.00 0.00 C ATOM 0 HA PRO A 52 14.163 -4.800 4.157 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.013 -5.551 2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 52 16.014 -6.271 3.852 1.00 0.00 H new ATOM 0 HG2 PRO A 52 14.928 -7.373 1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.770 -8.208 2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.045 -8.325 2.257 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.827 -8.517 3.813 1.00 0.00 H new ATOM 766 N LEU A 53 12.897 -3.498 2.433 1.00 0.00 N ATOM 767 CA LEU A 53 12.440 -2.559 1.369 1.00 0.00 C ATOM 768 C LEU A 53 12.863 -1.127 1.708 1.00 0.00 C ATOM 769 O LEU A 53 12.039 -0.263 1.929 1.00 0.00 O ATOM 770 CB LEU A 53 10.916 -2.682 1.366 1.00 0.00 C ATOM 771 CG LEU A 53 10.452 -3.211 0.010 1.00 0.00 C ATOM 772 CD1 LEU A 53 10.971 -2.294 -1.097 1.00 0.00 C ATOM 773 CD2 LEU A 53 10.999 -4.624 -0.199 1.00 0.00 C ATOM 0 H LEU A 53 12.563 -3.284 3.373 1.00 0.00 H new ATOM 0 HA LEU A 53 12.872 -2.794 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.593 -3.354 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.461 -1.711 1.565 1.00 0.00 H new ATOM 0 HG LEU A 53 9.363 -3.235 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.641 -2.670 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.582 -1.287 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.060 -2.270 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.669 -5.003 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.088 -4.600 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.630 -5.278 0.592 1.00 0.00 H new ATOM 785 N ARG A 54 14.141 -0.869 1.750 1.00 0.00 N ATOM 786 CA ARG A 54 14.615 0.506 2.076 1.00 0.00 C ATOM 787 C ARG A 54 14.641 1.377 0.817 1.00 0.00 C ATOM 788 O ARG A 54 15.630 2.014 0.513 1.00 0.00 O ATOM 789 CB ARG A 54 16.029 0.319 2.625 1.00 0.00 C ATOM 790 CG ARG A 54 16.423 1.543 3.453 1.00 0.00 C ATOM 791 CD ARG A 54 15.896 1.384 4.881 1.00 0.00 C ATOM 792 NE ARG A 54 16.471 0.097 5.361 1.00 0.00 N ATOM 793 CZ ARG A 54 15.682 -0.860 5.766 1.00 0.00 C ATOM 794 NH1 ARG A 54 14.555 -0.570 6.355 1.00 0.00 N ATOM 795 NH2 ARG A 54 16.020 -2.107 5.581 1.00 0.00 N ATOM 0 H ARG A 54 14.878 -1.551 1.573 1.00 0.00 H new ATOM 0 HA ARG A 54 13.961 1.005 2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 54 16.075 -0.579 3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.733 0.180 1.805 1.00 0.00 H new ATOM 0 HG2 ARG A 54 17.507 1.654 3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.015 2.447 3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.208 2.216 5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.806 1.361 4.900 1.00 0.00 H new ATOM 0 HE ARG A 54 17.482 -0.036 5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.291 0.405 6.499 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.938 -1.318 6.672 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.901 -2.334 5.120 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.403 -2.855 5.898 1.00 0.00 H new ATOM 809 N LYS A 55 13.562 1.413 0.083 1.00 0.00 N ATOM 810 CA LYS A 55 13.528 2.246 -1.154 1.00 0.00 C ATOM 811 C LYS A 55 12.147 2.166 -1.811 1.00 0.00 C ATOM 812 O LYS A 55 12.016 2.270 -3.014 1.00 0.00 O ATOM 813 CB LYS A 55 14.597 1.644 -2.071 1.00 0.00 C ATOM 814 CG LYS A 55 14.090 0.327 -2.666 1.00 0.00 C ATOM 815 CD LYS A 55 14.006 -0.732 -1.565 1.00 0.00 C ATOM 816 CE LYS A 55 13.787 -2.110 -2.195 1.00 0.00 C ATOM 817 NZ LYS A 55 15.126 -2.514 -2.706 1.00 0.00 N ATOM 0 H LYS A 55 12.703 0.902 0.286 1.00 0.00 H new ATOM 0 HA LYS A 55 13.718 3.299 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.840 2.345 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 55 15.515 1.470 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.110 0.474 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.760 -0.008 -3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.923 -0.732 -0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.188 -0.498 -0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.412 -2.824 -1.462 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.054 -2.064 -3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.050 -2.776 -3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.790 -1.720 -2.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.474 -3.329 -2.161 1.00 0.00 H new ATOM 831 N SER A 56 11.116 1.981 -1.032 1.00 0.00 N ATOM 832 CA SER A 56 9.747 1.897 -1.618 1.00 0.00 C ATOM 833 C SER A 56 9.751 0.920 -2.811 1.00 0.00 C ATOM 834 O SER A 56 10.650 0.116 -2.932 1.00 0.00 O ATOM 835 CB SER A 56 9.441 3.320 -2.087 1.00 0.00 C ATOM 836 OG SER A 56 8.990 4.092 -0.982 1.00 0.00 O ATOM 0 H SER A 56 11.162 1.885 -0.018 1.00 0.00 H new ATOM 0 HA SER A 56 9.004 1.533 -0.909 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.333 3.772 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.680 3.302 -2.868 1.00 0.00 H new ATOM 0 HG SER A 56 8.794 5.005 -1.279 1.00 0.00 H new ATOM 842 N ASN A 57 8.754 1.014 -3.683 1.00 0.00 N ATOM 843 CA ASN A 57 8.630 0.129 -4.911 1.00 0.00 C ATOM 844 C ASN A 57 7.157 -0.254 -5.118 1.00 0.00 C ATOM 845 O ASN A 57 6.692 -1.244 -4.590 1.00 0.00 O ATOM 846 CB ASN A 57 9.442 -1.150 -4.668 1.00 0.00 C ATOM 847 CG ASN A 57 8.999 -1.797 -3.355 1.00 0.00 C ATOM 848 OD1 ASN A 57 8.312 -1.186 -2.561 1.00 0.00 O ATOM 849 ND2 ASN A 57 9.363 -3.021 -3.094 1.00 0.00 N ATOM 0 H ASN A 57 7.996 1.691 -3.590 1.00 0.00 H new ATOM 0 HA ASN A 57 8.998 0.658 -5.790 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.299 -1.846 -5.495 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.506 -0.916 -4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.071 -3.465 -2.224 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.940 -3.535 -3.760 1.00 0.00 H new ATOM 856 N PHE A 58 6.407 0.518 -5.867 1.00 0.00 N ATOM 857 CA PHE A 58 4.960 0.170 -6.070 1.00 0.00 C ATOM 858 C PHE A 58 4.580 0.265 -7.551 1.00 0.00 C ATOM 859 O PHE A 58 4.497 1.339 -8.115 1.00 0.00 O ATOM 860 CB PHE A 58 4.143 1.194 -5.249 1.00 0.00 C ATOM 861 CG PHE A 58 4.980 1.743 -4.131 1.00 0.00 C ATOM 862 CD1 PHE A 58 5.512 0.865 -3.194 1.00 0.00 C ATOM 863 CD2 PHE A 58 5.229 3.115 -4.037 1.00 0.00 C ATOM 864 CE1 PHE A 58 6.296 1.348 -2.157 1.00 0.00 C ATOM 865 CE2 PHE A 58 6.019 3.606 -2.993 1.00 0.00 C ATOM 866 CZ PHE A 58 6.554 2.720 -2.050 1.00 0.00 C ATOM 0 H PHE A 58 6.726 1.363 -6.342 1.00 0.00 H new ATOM 0 HA PHE A 58 4.760 -0.852 -5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.808 2.005 -5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.249 0.718 -4.845 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.315 -0.194 -3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.813 3.793 -4.768 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.709 0.664 -1.430 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.216 4.665 -2.914 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.165 3.094 -1.242 1.00 0.00 H new ATOM 876 N ARG A 59 4.308 -0.851 -8.170 1.00 0.00 N ATOM 877 CA ARG A 59 3.884 -0.830 -9.606 1.00 0.00 C ATOM 878 C ARG A 59 2.362 -0.942 -9.635 1.00 0.00 C ATOM 879 O ARG A 59 1.810 -2.016 -9.512 1.00 0.00 O ATOM 880 CB ARG A 59 4.539 -2.038 -10.313 1.00 0.00 C ATOM 881 CG ARG A 59 5.199 -2.995 -9.310 1.00 0.00 C ATOM 882 CD ARG A 59 5.961 -4.085 -10.068 1.00 0.00 C ATOM 883 NE ARG A 59 7.398 -3.812 -9.791 1.00 0.00 N ATOM 884 CZ ARG A 59 8.262 -3.807 -10.770 1.00 0.00 C ATOM 885 NH1 ARG A 59 8.001 -3.151 -11.866 1.00 0.00 N ATOM 886 NH2 ARG A 59 9.387 -4.459 -10.651 1.00 0.00 N ATOM 0 H ARG A 59 4.360 -1.778 -7.747 1.00 0.00 H new ATOM 0 HA ARG A 59 4.189 0.085 -10.114 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.785 -2.576 -10.887 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.286 -1.683 -11.023 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.880 -2.445 -8.661 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.441 -3.445 -8.669 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.674 -5.079 -9.724 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.750 -4.044 -11.137 1.00 0.00 H new ATOM 0 HE ARG A 59 7.708 -3.629 -8.837 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.122 -2.642 -11.959 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.676 -3.147 -12.631 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.591 -4.972 -9.793 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.062 -4.455 -11.416 1.00 0.00 H new ATOM 900 N VAL A 60 1.685 0.170 -9.739 1.00 0.00 N ATOM 901 CA VAL A 60 0.194 0.150 -9.695 1.00 0.00 C ATOM 902 C VAL A 60 -0.451 -0.085 -11.059 1.00 0.00 C ATOM 903 O VAL A 60 0.128 0.143 -12.102 1.00 0.00 O ATOM 904 CB VAL A 60 -0.190 1.527 -9.158 1.00 0.00 C ATOM 905 CG1 VAL A 60 -0.071 2.571 -10.272 1.00 0.00 C ATOM 906 CG2 VAL A 60 -1.630 1.483 -8.650 1.00 0.00 C ATOM 0 H VAL A 60 2.102 1.094 -9.853 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.159 -0.675 -9.076 1.00 0.00 H new ATOM 0 HB VAL A 60 0.480 1.799 -8.342 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.346 3.551 -9.883 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.956 2.600 -10.635 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.738 2.306 -11.092 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.910 2.464 -8.265 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.296 1.210 -9.468 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.712 0.744 -7.853 1.00 0.00 H new ATOM 916 N GLN A 61 -1.671 -0.548 -11.021 1.00 0.00 N ATOM 917 CA GLN A 61 -2.441 -0.832 -12.260 1.00 0.00 C ATOM 918 C GLN A 61 -3.817 -1.378 -11.865 1.00 0.00 C ATOM 919 O GLN A 61 -4.076 -1.636 -10.702 1.00 0.00 O ATOM 920 CB GLN A 61 -1.628 -1.892 -13.005 1.00 0.00 C ATOM 921 CG GLN A 61 -1.686 -3.214 -12.238 1.00 0.00 C ATOM 922 CD GLN A 61 -0.707 -4.210 -12.862 1.00 0.00 C ATOM 923 OE1 GLN A 61 -0.871 -4.610 -13.999 1.00 0.00 O ATOM 924 NE2 GLN A 61 0.313 -4.629 -12.165 1.00 0.00 N ATOM 0 H GLN A 61 -2.177 -0.746 -10.158 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.597 0.050 -12.881 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.023 -2.026 -14.012 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.593 -1.565 -13.109 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.435 -3.050 -11.190 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.698 -3.618 -12.264 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.451 -4.294 -11.212 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.972 -5.291 -12.574 1.00 0.00 H new ATOM 933 N LEU A 62 -4.700 -1.556 -12.807 1.00 0.00 N ATOM 934 CA LEU A 62 -6.053 -2.084 -12.462 1.00 0.00 C ATOM 935 C LEU A 62 -6.754 -2.609 -13.718 1.00 0.00 C ATOM 936 O LEU A 62 -7.724 -2.044 -14.182 1.00 0.00 O ATOM 937 CB LEU A 62 -6.812 -0.890 -11.881 1.00 0.00 C ATOM 938 CG LEU A 62 -7.458 -1.290 -10.551 1.00 0.00 C ATOM 939 CD1 LEU A 62 -6.369 -1.677 -9.549 1.00 0.00 C ATOM 940 CD2 LEU A 62 -8.254 -0.108 -9.995 1.00 0.00 C ATOM 0 H LEU A 62 -4.547 -1.361 -13.796 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.003 -2.914 -11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.131 -0.052 -11.729 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.577 -0.556 -12.582 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.124 -2.138 -10.714 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.830 -1.961 -8.603 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.796 -2.517 -9.941 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.704 -0.828 -9.388 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.714 -0.392 -9.049 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.585 0.738 -9.834 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.031 0.174 -10.706 1.00 0.00 H new