USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 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 31 SER OG : rot 59:sc= 1.15 USER MOD Set 1.2: A 33 THR OG1 : rot 180:sc= -1.21 USER MOD Set 1.3: A 65 LYS NZ :NH3+ 154:sc= -0.0902 (180deg=-0.947) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.634 USER MOD Single : A 16 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.115) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.275! USER MOD Single : A 27 THR OG1 : rot -120:sc= -1.57! USER MOD Single : A 28 CYS SG : rot 180:sc= -0.753 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 17:sc= 0.485 USER MOD Single : A 36 GLN : amide:sc= -2.4 K(o=-2.4,f=-14!) USER MOD Single : A 37 SER OG : rot -139:sc= -2.27! USER MOD Single : A 39 THR OG1 : rot -32:sc= 0.662 USER MOD Single : A 45 SER OG : rot 180:sc= -0.611 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 52 TYR OH : rot 101:sc= 0.307 USER MOD Single : A 57 CYS SG : rot 152:sc= 0.671 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 66 GLN : amide:sc= -2.49! C(o=-2.5!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -4.868 9.375 9.671 1.00 0.00 N ATOM 56 CA TRP A 5 -3.478 8.863 9.491 1.00 0.00 C ATOM 57 C TRP A 5 -2.875 8.491 10.849 1.00 0.00 C ATOM 58 O TRP A 5 -2.676 9.334 11.702 1.00 0.00 O ATOM 59 CB TRP A 5 -2.707 10.022 8.858 1.00 0.00 C ATOM 60 CG TRP A 5 -2.814 9.941 7.369 1.00 0.00 C ATOM 61 CD1 TRP A 5 -3.617 10.715 6.604 1.00 0.00 C ATOM 62 CD2 TRP A 5 -2.108 9.053 6.452 1.00 0.00 C ATOM 63 NE1 TRP A 5 -3.451 10.359 5.277 1.00 0.00 N ATOM 64 CE2 TRP A 5 -2.531 9.340 5.132 1.00 0.00 C ATOM 65 CE3 TRP A 5 -1.153 8.037 6.636 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -2.024 8.644 4.034 1.00 0.00 C ATOM 67 CZ3 TRP A 5 -0.640 7.334 5.533 1.00 0.00 C ATOM 68 CH2 TRP A 5 -1.075 7.638 4.235 1.00 0.00 C ATOM 0 HA TRP A 5 -3.443 7.967 8.871 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -3.106 10.973 9.210 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -1.660 9.984 9.160 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -4.280 11.485 6.969 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.948 10.796 4.501 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.812 7.796 7.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.362 8.881 3.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.093 6.556 5.686 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.677 7.095 3.391 1.00 0.00 H new ATOM 79 N LEU A 6 -2.585 7.234 11.053 1.00 0.00 N ATOM 80 CA LEU A 6 -1.998 6.799 12.354 1.00 0.00 C ATOM 81 C LEU A 6 -0.492 6.570 12.202 1.00 0.00 C ATOM 82 O LEU A 6 0.008 6.398 11.110 1.00 0.00 O ATOM 83 CB LEU A 6 -2.707 5.488 12.693 1.00 0.00 C ATOM 84 CG LEU A 6 -4.198 5.752 12.906 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.940 4.419 13.033 1.00 0.00 C ATOM 86 CD2 LEU A 6 -4.393 6.566 14.187 1.00 0.00 C ATOM 0 H LEU A 6 -2.730 6.488 10.373 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.130 7.546 13.136 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.566 4.768 11.887 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.273 5.050 13.592 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.593 6.309 12.056 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.003 4.607 13.185 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.801 3.837 12.122 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.545 3.862 13.883 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.456 6.755 14.340 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.998 6.008 15.036 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.865 7.515 14.099 1.00 0.00 H new ATOM 98 N ASP A 7 0.231 6.566 13.287 1.00 0.00 N ATOM 99 CA ASP A 7 1.704 6.347 13.201 1.00 0.00 C ATOM 100 C ASP A 7 2.003 4.911 12.755 1.00 0.00 C ATOM 101 O ASP A 7 1.112 4.157 12.420 1.00 0.00 O ATOM 102 CB ASP A 7 2.227 6.590 14.617 1.00 0.00 C ATOM 103 CG ASP A 7 2.099 8.076 14.959 1.00 0.00 C ATOM 104 OD1 ASP A 7 1.012 8.486 15.333 1.00 0.00 O ATOM 105 OD2 ASP A 7 3.090 8.777 14.841 1.00 0.00 O ATOM 0 H ASP A 7 -0.133 6.705 14.230 1.00 0.00 H new ATOM 0 HA ASP A 7 2.176 7.008 12.475 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.663 5.991 15.332 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.269 6.277 14.690 1.00 0.00 H new ATOM 110 N CYS A 8 3.254 4.533 12.751 1.00 0.00 N ATOM 111 CA CYS A 8 3.623 3.151 12.331 1.00 0.00 C ATOM 112 C CYS A 8 4.945 2.741 12.995 1.00 0.00 C ATOM 113 O CYS A 8 6.008 2.981 12.456 1.00 0.00 O ATOM 114 CB CYS A 8 3.787 3.228 10.813 1.00 0.00 C ATOM 115 SG CYS A 8 3.113 1.730 10.051 1.00 0.00 S ATOM 0 H CYS A 8 4.039 5.125 13.022 1.00 0.00 H new ATOM 0 HA CYS A 8 2.874 2.413 12.620 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.273 4.108 10.426 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.841 3.336 10.556 1.00 0.00 H new ATOM 0 HG CYS A 8 3.252 1.800 8.760 1.00 0.00 H new ATOM 121 N PRO A 9 4.834 2.138 14.151 1.00 0.00 N ATOM 122 CA PRO A 9 6.036 1.696 14.902 1.00 0.00 C ATOM 123 C PRO A 9 6.654 0.437 14.289 1.00 0.00 C ATOM 124 O PRO A 9 7.627 -0.088 14.795 1.00 0.00 O ATOM 125 CB PRO A 9 5.497 1.379 16.288 1.00 0.00 C ATOM 126 CG PRO A 9 4.047 1.071 16.090 1.00 0.00 C ATOM 127 CD PRO A 9 3.591 1.818 14.864 1.00 0.00 C ATOM 0 HA PRO A 9 6.821 2.453 14.897 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.022 0.532 16.729 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.630 2.224 16.964 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.896 -0.001 15.964 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.468 1.374 16.962 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.926 1.209 14.251 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.041 2.721 15.130 1.00 0.00 H new ATOM 135 N ALA A 10 6.097 -0.067 13.224 1.00 0.00 N ATOM 136 CA ALA A 10 6.661 -1.304 12.619 1.00 0.00 C ATOM 137 C ALA A 10 7.963 -1.010 11.864 1.00 0.00 C ATOM 138 O ALA A 10 8.604 -1.909 11.355 1.00 0.00 O ATOM 139 CB ALA A 10 5.588 -1.798 11.653 1.00 0.00 C ATOM 0 H ALA A 10 5.282 0.321 12.749 1.00 0.00 H new ATOM 0 HA ALA A 10 6.908 -2.044 13.380 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.930 -2.711 11.165 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.670 -2.003 12.203 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.397 -1.034 10.900 1.00 0.00 H new ATOM 145 N LEU A 11 8.360 0.232 11.776 1.00 0.00 N ATOM 146 CA LEU A 11 9.618 0.557 11.043 1.00 0.00 C ATOM 147 C LEU A 11 10.440 1.590 11.818 1.00 0.00 C ATOM 148 O LEU A 11 11.557 1.328 12.221 1.00 0.00 O ATOM 149 CB LEU A 11 9.155 1.125 9.701 1.00 0.00 C ATOM 150 CG LEU A 11 8.674 -0.019 8.804 1.00 0.00 C ATOM 151 CD1 LEU A 11 7.467 0.443 7.985 1.00 0.00 C ATOM 152 CD2 LEU A 11 9.803 -0.435 7.859 1.00 0.00 C ATOM 0 H LEU A 11 7.870 1.032 12.178 1.00 0.00 H new ATOM 0 HA LEU A 11 10.259 -0.315 10.917 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.350 1.844 9.856 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.972 1.661 9.219 1.00 0.00 H new ATOM 0 HG LEU A 11 8.386 -0.868 9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.126 -0.373 7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.662 0.738 8.658 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.752 1.293 7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.461 -1.249 7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.091 0.415 7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.662 -0.767 8.442 1.00 0.00 H new ATOM 164 N GLY A 12 9.902 2.761 12.029 1.00 0.00 N ATOM 165 CA GLY A 12 10.660 3.805 12.777 1.00 0.00 C ATOM 166 C GLY A 12 9.857 5.109 12.809 1.00 0.00 C ATOM 167 O GLY A 12 8.747 5.164 12.318 1.00 0.00 O ATOM 0 H GLY A 12 8.972 3.040 11.716 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.858 3.465 13.793 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.627 3.975 12.303 1.00 0.00 H new ATOM 171 N PRO A 13 10.450 6.122 13.391 1.00 0.00 N ATOM 172 CA PRO A 13 9.778 7.442 13.489 1.00 0.00 C ATOM 173 C PRO A 13 9.747 8.131 12.120 1.00 0.00 C ATOM 174 O PRO A 13 10.697 8.771 11.714 1.00 0.00 O ATOM 175 CB PRO A 13 10.655 8.219 14.468 1.00 0.00 C ATOM 176 CG PRO A 13 12.004 7.581 14.371 1.00 0.00 C ATOM 177 CD PRO A 13 11.785 6.136 14.006 1.00 0.00 C ATOM 0 HA PRO A 13 8.741 7.371 13.816 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.699 9.276 14.205 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.262 8.159 15.483 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.613 8.081 13.618 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.538 7.663 15.318 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.547 5.780 13.313 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.826 5.492 14.884 1.00 0.00 H new ATOM 185 N GLY A 14 8.659 8.003 11.409 1.00 0.00 N ATOM 186 CA GLY A 14 8.560 8.647 10.068 1.00 0.00 C ATOM 187 C GLY A 14 7.427 7.994 9.273 1.00 0.00 C ATOM 188 O GLY A 14 6.811 8.613 8.428 1.00 0.00 O ATOM 0 H GLY A 14 7.833 7.479 11.700 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.373 9.715 10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.503 8.542 9.531 1.00 0.00 H new ATOM 192 N TRP A 15 7.174 6.735 9.516 1.00 0.00 N ATOM 193 CA TRP A 15 6.108 6.019 8.753 1.00 0.00 C ATOM 194 C TRP A 15 4.708 6.409 9.228 1.00 0.00 C ATOM 195 O TRP A 15 4.494 6.750 10.374 1.00 0.00 O ATOM 196 CB TRP A 15 6.363 4.537 9.022 1.00 0.00 C ATOM 197 CG TRP A 15 7.435 4.049 8.107 1.00 0.00 C ATOM 198 CD1 TRP A 15 8.754 4.017 8.403 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.304 3.529 6.752 1.00 0.00 C ATOM 200 NE1 TRP A 15 9.442 3.513 7.314 1.00 0.00 N ATOM 201 CE2 TRP A 15 8.592 3.196 6.274 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.205 3.316 5.902 1.00 0.00 C ATOM 203 CZ2 TRP A 15 8.785 2.673 4.997 1.00 0.00 C ATOM 204 CZ3 TRP A 15 6.395 2.788 4.614 1.00 0.00 C ATOM 205 CH2 TRP A 15 7.684 2.467 4.163 1.00 0.00 C ATOM 0 H TRP A 15 7.661 6.170 10.212 1.00 0.00 H new ATOM 0 HA TRP A 15 6.145 6.269 7.693 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.660 4.390 10.060 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.448 3.965 8.868 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.197 4.333 9.336 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.454 3.391 7.283 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.209 3.560 6.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 9.780 2.429 4.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.544 2.628 3.968 1.00 0.00 H new ATOM 0 HH2 TRP A 15 7.825 2.061 3.172 1.00 0.00 H new ATOM 216 N LYS A 16 3.752 6.343 8.339 1.00 0.00 N ATOM 217 CA LYS A 16 2.346 6.685 8.702 1.00 0.00 C ATOM 218 C LYS A 16 1.400 5.655 8.081 1.00 0.00 C ATOM 219 O LYS A 16 1.486 5.359 6.907 1.00 0.00 O ATOM 220 CB LYS A 16 2.104 8.069 8.099 1.00 0.00 C ATOM 221 CG LYS A 16 2.855 9.124 8.915 1.00 0.00 C ATOM 222 CD LYS A 16 1.963 9.624 10.056 1.00 0.00 C ATOM 223 CE LYS A 16 1.605 11.095 9.822 1.00 0.00 C ATOM 224 NZ LYS A 16 2.845 11.849 10.154 1.00 0.00 N ATOM 0 H LYS A 16 3.887 6.064 7.367 1.00 0.00 H new ATOM 0 HA LYS A 16 2.175 6.682 9.778 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.441 8.089 7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.037 8.292 8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.774 8.699 9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.143 9.957 8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.055 9.023 10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.479 9.512 11.010 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.302 11.268 8.789 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.773 11.405 10.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.631 12.570 10.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.562 11.193 10.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.210 12.312 9.297 1.00 0.00 H new ATOM 238 N ARG A 17 0.508 5.097 8.857 1.00 0.00 N ATOM 239 CA ARG A 17 -0.428 4.075 8.301 1.00 0.00 C ATOM 240 C ARG A 17 -1.853 4.631 8.208 1.00 0.00 C ATOM 241 O ARG A 17 -2.337 5.294 9.105 1.00 0.00 O ATOM 242 CB ARG A 17 -0.373 2.907 9.290 1.00 0.00 C ATOM 243 CG ARG A 17 -1.455 1.880 8.928 1.00 0.00 C ATOM 244 CD ARG A 17 -1.347 0.658 9.843 1.00 0.00 C ATOM 245 NE ARG A 17 -1.472 1.195 11.228 1.00 0.00 N ATOM 246 CZ ARG A 17 -2.500 0.872 11.963 1.00 0.00 C ATOM 247 NH1 ARG A 17 -2.940 -0.356 11.967 1.00 0.00 N ATOM 248 NH2 ARG A 17 -3.089 1.778 12.695 1.00 0.00 N ATOM 0 H ARG A 17 0.387 5.304 9.848 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.146 3.775 7.292 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.611 2.439 9.263 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.526 3.269 10.307 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.443 2.331 9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.345 1.576 7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.134 -0.065 9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.396 0.145 9.704 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.753 1.815 11.601 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.480 -1.064 11.395 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.744 -0.608 12.542 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.745 2.738 12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.893 1.526 13.270 1.00 0.00 H new ATOM 262 N ARG A 18 -2.528 4.341 7.129 1.00 0.00 N ATOM 263 CA ARG A 18 -3.929 4.820 6.959 1.00 0.00 C ATOM 264 C ARG A 18 -4.770 3.716 6.310 1.00 0.00 C ATOM 265 O ARG A 18 -4.333 3.053 5.389 1.00 0.00 O ATOM 266 CB ARG A 18 -3.828 6.041 6.040 1.00 0.00 C ATOM 267 CG ARG A 18 -5.233 6.514 5.648 1.00 0.00 C ATOM 268 CD ARG A 18 -5.994 6.967 6.896 1.00 0.00 C ATOM 269 NE ARG A 18 -7.274 6.205 6.864 1.00 0.00 N ATOM 270 CZ ARG A 18 -7.911 5.946 7.975 1.00 0.00 C ATOM 271 NH1 ARG A 18 -7.257 5.510 9.018 1.00 0.00 N ATOM 272 NH2 ARG A 18 -9.202 6.119 8.042 1.00 0.00 N ATOM 0 H ARG A 18 -2.166 3.788 6.352 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.405 5.075 7.906 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.292 6.844 6.545 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.257 5.789 5.147 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.164 7.335 4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.774 5.707 5.154 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.429 6.752 7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.174 8.042 6.880 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.654 5.885 5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.248 5.371 8.966 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.755 5.308 9.885 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.714 6.456 7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.699 5.917 8.909 1.00 0.00 H new ATOM 286 N GLU A 19 -5.969 3.509 6.784 1.00 0.00 N ATOM 287 CA GLU A 19 -6.831 2.445 6.194 1.00 0.00 C ATOM 288 C GLU A 19 -7.837 3.059 5.218 1.00 0.00 C ATOM 289 O GLU A 19 -8.480 4.049 5.512 1.00 0.00 O ATOM 290 CB GLU A 19 -7.550 1.806 7.385 1.00 0.00 C ATOM 291 CG GLU A 19 -7.025 0.384 7.596 1.00 0.00 C ATOM 292 CD GLU A 19 -7.784 -0.277 8.747 1.00 0.00 C ATOM 293 OE1 GLU A 19 -8.992 -0.112 8.805 1.00 0.00 O ATOM 294 OE2 GLU A 19 -7.146 -0.936 9.552 1.00 0.00 O ATOM 0 H GLU A 19 -6.389 4.030 7.554 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.254 1.712 5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.388 2.402 8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.625 1.785 7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.148 -0.199 6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.958 0.408 7.817 1.00 0.00 H new ATOM 301 N VAL A 20 -7.968 2.480 4.057 1.00 0.00 N ATOM 302 CA VAL A 20 -8.921 3.021 3.045 1.00 0.00 C ATOM 303 C VAL A 20 -10.089 2.051 2.856 1.00 0.00 C ATOM 304 O VAL A 20 -9.949 1.023 2.224 1.00 0.00 O ATOM 305 CB VAL A 20 -8.114 3.128 1.748 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.918 3.910 0.709 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.792 3.851 2.018 1.00 0.00 C ATOM 0 H VAL A 20 -7.453 1.650 3.763 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.338 3.981 3.348 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.907 2.126 1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.343 3.986 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.857 3.393 0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.128 4.910 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.222 3.924 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.996 4.852 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.216 3.292 2.756 1.00 0.00 H new ATOM 317 N PHE A 21 -11.239 2.363 3.391 1.00 0.00 N ATOM 318 CA PHE A 21 -12.408 1.447 3.231 1.00 0.00 C ATOM 319 C PHE A 21 -13.125 1.718 1.904 1.00 0.00 C ATOM 320 O PHE A 21 -14.336 1.799 1.852 1.00 0.00 O ATOM 321 CB PHE A 21 -13.327 1.762 4.411 1.00 0.00 C ATOM 322 CG PHE A 21 -13.995 0.491 4.879 1.00 0.00 C ATOM 323 CD1 PHE A 21 -13.221 -0.565 5.374 1.00 0.00 C ATOM 324 CD2 PHE A 21 -15.389 0.368 4.817 1.00 0.00 C ATOM 325 CE1 PHE A 21 -13.839 -1.744 5.807 1.00 0.00 C ATOM 326 CE2 PHE A 21 -16.008 -0.810 5.250 1.00 0.00 C ATOM 327 CZ PHE A 21 -15.232 -1.867 5.745 1.00 0.00 C ATOM 0 H PHE A 21 -11.420 3.209 3.930 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.107 0.400 3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.753 2.205 5.225 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.079 2.494 4.115 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.146 -0.470 5.422 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -15.986 1.183 4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.241 -2.558 6.189 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -17.083 -0.905 5.203 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.709 -2.777 6.079 1.00 0.00 H new ATOM 337 N ARG A 22 -12.384 1.850 0.830 1.00 0.00 N ATOM 338 CA ARG A 22 -13.008 2.111 -0.505 1.00 0.00 C ATOM 339 C ARG A 22 -14.006 3.274 -0.425 1.00 0.00 C ATOM 340 O ARG A 22 -14.302 3.784 0.638 1.00 0.00 O ATOM 341 CB ARG A 22 -13.733 0.816 -0.852 1.00 0.00 C ATOM 342 CG ARG A 22 -12.849 -0.047 -1.750 1.00 0.00 C ATOM 343 CD ARG A 22 -12.790 0.558 -3.154 1.00 0.00 C ATOM 344 NE ARG A 22 -11.346 0.567 -3.506 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.723 -0.550 -3.766 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.677 -1.000 -4.989 1.00 0.00 N ATOM 347 NH2 ARG A 22 -10.137 -1.214 -2.806 1.00 0.00 N ATOM 0 H ARG A 22 -11.366 1.788 0.822 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.267 2.389 -1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.982 0.272 0.059 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.673 1.039 -1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.845 -0.115 -1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.244 -1.062 -1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.366 -0.035 -3.864 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.206 1.565 -3.168 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.839 1.451 -3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.128 -0.479 -5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.190 -1.873 -5.193 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.165 -0.860 -1.850 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.651 -2.087 -3.012 1.00 0.00 H new ATOM 361 N LYS A 23 -14.525 3.701 -1.544 1.00 0.00 N ATOM 362 CA LYS A 23 -15.504 4.824 -1.526 1.00 0.00 C ATOM 363 C LYS A 23 -16.613 4.597 -2.560 1.00 0.00 C ATOM 364 O LYS A 23 -17.750 4.963 -2.337 1.00 0.00 O ATOM 365 CB LYS A 23 -14.689 6.069 -1.877 1.00 0.00 C ATOM 366 CG LYS A 23 -15.126 7.237 -0.987 1.00 0.00 C ATOM 367 CD LYS A 23 -14.703 6.972 0.462 1.00 0.00 C ATOM 368 CE LYS A 23 -13.187 6.767 0.531 1.00 0.00 C ATOM 369 NZ LYS A 23 -12.811 7.142 1.923 1.00 0.00 N ATOM 0 H LYS A 23 -14.314 3.322 -2.467 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.997 4.916 -0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.626 5.871 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.832 6.325 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.678 8.165 -1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.207 7.364 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.995 7.810 1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.216 6.090 0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.918 5.733 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.671 7.390 -0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.785 7.028 2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.073 8.133 2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.312 6.527 2.596 1.00 0.00 H new ATOM 383 N SER A 24 -16.299 3.995 -3.686 1.00 0.00 N ATOM 384 CA SER A 24 -17.352 3.751 -4.733 1.00 0.00 C ATOM 385 C SER A 24 -16.725 3.204 -6.022 1.00 0.00 C ATOM 386 O SER A 24 -15.564 2.850 -6.060 1.00 0.00 O ATOM 387 CB SER A 24 -17.989 5.121 -5.005 1.00 0.00 C ATOM 388 OG SER A 24 -18.797 5.046 -6.172 1.00 0.00 O ATOM 0 H SER A 24 -15.365 3.663 -3.926 1.00 0.00 H new ATOM 0 HA SER A 24 -18.082 3.016 -4.394 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.593 5.429 -4.151 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.213 5.875 -5.135 1.00 0.00 H new ATOM 0 HG SER A 24 -19.205 5.920 -6.344 1.00 0.00 H new ATOM 394 N GLY A 25 -17.495 3.143 -7.080 1.00 0.00 N ATOM 395 CA GLY A 25 -16.961 2.631 -8.377 1.00 0.00 C ATOM 396 C GLY A 25 -17.438 1.195 -8.601 1.00 0.00 C ATOM 397 O GLY A 25 -18.306 0.931 -9.411 1.00 0.00 O ATOM 0 H GLY A 25 -18.474 3.427 -7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.296 3.268 -9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.872 2.666 -8.372 1.00 0.00 H new ATOM 401 N ALA A 26 -16.869 0.272 -7.885 1.00 0.00 N ATOM 402 CA ALA A 26 -17.258 -1.162 -8.027 1.00 0.00 C ATOM 403 C ALA A 26 -16.626 -1.949 -6.883 1.00 0.00 C ATOM 404 O ALA A 26 -17.225 -2.830 -6.300 1.00 0.00 O ATOM 405 CB ALA A 26 -16.678 -1.601 -9.373 1.00 0.00 C ATOM 0 H ALA A 26 -16.139 0.449 -7.195 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.335 -1.323 -7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.923 -2.648 -9.550 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.103 -0.989 -10.169 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.595 -1.479 -9.360 1.00 0.00 H new ATOM 411 N THR A 27 -15.416 -1.602 -6.553 1.00 0.00 N ATOM 412 CA THR A 27 -14.701 -2.272 -5.436 1.00 0.00 C ATOM 413 C THR A 27 -15.173 -1.686 -4.098 1.00 0.00 C ATOM 414 O THR A 27 -14.711 -2.072 -3.044 1.00 0.00 O ATOM 415 CB THR A 27 -13.226 -1.935 -5.683 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.095 -0.535 -5.910 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.724 -2.703 -6.910 1.00 0.00 C ATOM 0 H THR A 27 -14.883 -0.868 -7.020 1.00 0.00 H new ATOM 0 HA THR A 27 -14.878 -3.347 -5.394 1.00 0.00 H new ATOM 0 HB THR A 27 -12.635 -2.220 -4.813 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.712 -0.382 -6.799 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.675 -2.463 -7.085 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.827 -3.774 -6.736 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.312 -2.419 -7.783 1.00 0.00 H new ATOM 425 N CYS A 28 -16.086 -0.743 -4.144 1.00 0.00 N ATOM 426 CA CYS A 28 -16.599 -0.102 -2.895 1.00 0.00 C ATOM 427 C CYS A 28 -16.891 -1.141 -1.808 1.00 0.00 C ATOM 428 O CYS A 28 -17.535 -2.143 -2.051 1.00 0.00 O ATOM 429 CB CYS A 28 -17.892 0.597 -3.318 1.00 0.00 C ATOM 430 SG CYS A 28 -18.406 1.749 -2.020 1.00 0.00 S ATOM 0 H CYS A 28 -16.501 -0.388 -5.006 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.867 0.585 -2.470 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.739 1.133 -4.255 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -18.675 -0.140 -3.496 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.504 2.346 -2.379 1.00 0.00 H new ATOM 436 N GLY A 29 -16.436 -0.895 -0.608 1.00 0.00 N ATOM 437 CA GLY A 29 -16.703 -1.858 0.502 1.00 0.00 C ATOM 438 C GLY A 29 -15.408 -2.547 0.950 1.00 0.00 C ATOM 439 O GLY A 29 -15.360 -3.158 2.000 1.00 0.00 O ATOM 0 H GLY A 29 -15.893 -0.072 -0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.151 -1.332 1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.424 -2.607 0.174 1.00 0.00 H new ATOM 443 N ARG A 30 -14.359 -2.462 0.172 1.00 0.00 N ATOM 444 CA ARG A 30 -13.082 -3.128 0.576 1.00 0.00 C ATOM 445 C ARG A 30 -12.296 -2.236 1.541 1.00 0.00 C ATOM 446 O ARG A 30 -12.682 -1.119 1.819 1.00 0.00 O ATOM 447 CB ARG A 30 -12.304 -3.332 -0.722 1.00 0.00 C ATOM 448 CG ARG A 30 -13.103 -4.245 -1.651 1.00 0.00 C ATOM 449 CD ARG A 30 -12.369 -4.380 -2.985 1.00 0.00 C ATOM 450 NE ARG A 30 -12.311 -5.845 -3.248 1.00 0.00 N ATOM 451 CZ ARG A 30 -11.180 -6.483 -3.136 1.00 0.00 C ATOM 452 NH1 ARG A 30 -10.097 -5.988 -3.670 1.00 0.00 N ATOM 453 NH2 ARG A 30 -11.129 -7.614 -2.488 1.00 0.00 N ATOM 0 H ARG A 30 -14.330 -1.965 -0.718 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.260 -4.071 1.093 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.122 -2.372 -1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.330 -3.772 -0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.231 -5.226 -1.193 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.100 -3.836 -1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.899 -3.857 -3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.369 -3.949 -2.931 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.156 -6.349 -3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.136 -5.102 -4.175 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.212 -6.487 -3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.975 -8.000 -2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.243 -8.112 -2.401 1.00 0.00 H new ATOM 467 N SER A 31 -11.197 -2.724 2.056 1.00 0.00 N ATOM 468 CA SER A 31 -10.387 -1.905 3.006 1.00 0.00 C ATOM 469 C SER A 31 -8.894 -2.039 2.696 1.00 0.00 C ATOM 470 O SER A 31 -8.238 -2.961 3.140 1.00 0.00 O ATOM 471 CB SER A 31 -10.702 -2.475 4.387 1.00 0.00 C ATOM 472 OG SER A 31 -10.258 -3.823 4.453 1.00 0.00 O ATOM 0 H SER A 31 -10.826 -3.654 1.860 1.00 0.00 H new ATOM 0 HA SER A 31 -10.625 -0.844 2.937 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.212 -1.881 5.158 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.774 -2.424 4.578 1.00 0.00 H new ATOM 0 HG SER A 31 -9.294 -3.859 4.278 1.00 0.00 H new ATOM 478 N ASP A 32 -8.354 -1.119 1.942 1.00 0.00 N ATOM 479 CA ASP A 32 -6.903 -1.179 1.607 1.00 0.00 C ATOM 480 C ASP A 32 -6.124 -0.205 2.489 1.00 0.00 C ATOM 481 O ASP A 32 -6.419 0.970 2.540 1.00 0.00 O ATOM 482 CB ASP A 32 -6.818 -0.766 0.136 1.00 0.00 C ATOM 483 CG ASP A 32 -7.200 -1.953 -0.751 1.00 0.00 C ATOM 484 OD1 ASP A 32 -6.903 -3.073 -0.370 1.00 0.00 O ATOM 485 OD2 ASP A 32 -7.782 -1.721 -1.797 1.00 0.00 O ATOM 0 H ASP A 32 -8.857 -0.327 1.543 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.477 -2.168 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.485 0.074 -0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.808 -0.432 -0.101 1.00 0.00 H new ATOM 490 N THR A 33 -5.133 -0.687 3.189 1.00 0.00 N ATOM 491 CA THR A 33 -4.343 0.214 4.076 1.00 0.00 C ATOM 492 C THR A 33 -3.055 0.646 3.378 1.00 0.00 C ATOM 493 O THR A 33 -2.305 -0.164 2.871 1.00 0.00 O ATOM 494 CB THR A 33 -4.029 -0.629 5.314 1.00 0.00 C ATOM 495 OG1 THR A 33 -5.243 -1.093 5.888 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.273 0.222 6.335 1.00 0.00 C ATOM 0 H THR A 33 -4.837 -1.663 3.185 1.00 0.00 H new ATOM 0 HA THR A 33 -4.885 1.125 4.330 1.00 0.00 H new ATOM 0 HB THR A 33 -3.412 -1.481 5.027 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.044 -1.635 6.680 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.050 -0.380 7.216 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.342 0.578 5.894 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.887 1.075 6.624 1.00 0.00 H new ATOM 504 N TYR A 34 -2.800 1.926 3.345 1.00 0.00 N ATOM 505 CA TYR A 34 -1.568 2.430 2.679 1.00 0.00 C ATOM 506 C TYR A 34 -0.604 2.988 3.726 1.00 0.00 C ATOM 507 O TYR A 34 -1.002 3.336 4.821 1.00 0.00 O ATOM 508 CB TYR A 34 -2.060 3.535 1.747 1.00 0.00 C ATOM 509 CG TYR A 34 -2.906 2.916 0.661 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.203 2.469 0.949 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.389 2.780 -0.631 1.00 0.00 C ATOM 512 CE1 TYR A 34 -4.979 1.887 -0.058 1.00 0.00 C ATOM 513 CE2 TYR A 34 -3.168 2.199 -1.637 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.463 1.753 -1.351 1.00 0.00 C ATOM 515 OH TYR A 34 -5.230 1.176 -2.343 1.00 0.00 O ATOM 0 H TYR A 34 -3.396 2.646 3.753 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.029 1.652 2.138 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.641 4.269 2.306 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.213 4.065 1.310 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.602 2.574 1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.389 3.123 -0.852 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.978 1.541 0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.770 2.095 -2.635 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.723 1.161 -3.181 1.00 0.00 H new ATOM 525 N TYR A 35 0.661 3.072 3.410 1.00 0.00 N ATOM 526 CA TYR A 35 1.636 3.602 4.410 1.00 0.00 C ATOM 527 C TYR A 35 2.670 4.503 3.733 1.00 0.00 C ATOM 528 O TYR A 35 3.157 4.207 2.659 1.00 0.00 O ATOM 529 CB TYR A 35 2.335 2.374 5.009 1.00 0.00 C ATOM 530 CG TYR A 35 1.370 1.216 5.127 1.00 0.00 C ATOM 531 CD1 TYR A 35 1.151 0.378 4.029 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.702 0.981 6.334 1.00 0.00 C ATOM 533 CE1 TYR A 35 0.260 -0.697 4.135 1.00 0.00 C ATOM 534 CE2 TYR A 35 -0.187 -0.095 6.442 1.00 0.00 C ATOM 535 CZ TYR A 35 -0.408 -0.934 5.343 1.00 0.00 C ATOM 536 OH TYR A 35 -1.284 -1.994 5.449 1.00 0.00 O ATOM 0 H TYR A 35 1.060 2.800 2.512 1.00 0.00 H new ATOM 0 HA TYR A 35 1.132 4.198 5.170 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.180 2.088 4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.737 2.621 5.992 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.669 0.560 3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.872 1.629 7.181 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.088 -1.343 3.286 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.703 -0.278 7.373 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.127 -2.623 4.714 1.00 0.00 H new ATOM 546 N GLN A 36 3.029 5.585 4.368 1.00 0.00 N ATOM 547 CA GLN A 36 4.057 6.489 3.780 1.00 0.00 C ATOM 548 C GLN A 36 5.403 6.197 4.440 1.00 0.00 C ATOM 549 O GLN A 36 5.470 5.901 5.618 1.00 0.00 O ATOM 550 CB GLN A 36 3.594 7.910 4.104 1.00 0.00 C ATOM 551 CG GLN A 36 4.444 8.915 3.319 1.00 0.00 C ATOM 552 CD GLN A 36 3.817 9.150 1.945 1.00 0.00 C ATOM 553 OE1 GLN A 36 3.365 8.222 1.304 1.00 0.00 O ATOM 554 NE2 GLN A 36 3.770 10.362 1.461 1.00 0.00 N ATOM 0 H GLN A 36 2.654 5.882 5.269 1.00 0.00 H new ATOM 0 HA GLN A 36 4.172 6.353 2.705 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.541 8.029 3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.684 8.098 5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.511 9.856 3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.461 8.538 3.207 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.149 11.141 1.999 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.354 10.530 0.545 1.00 0.00 H new ATOM 563 N SER A 37 6.471 6.261 3.691 1.00 0.00 N ATOM 564 CA SER A 37 7.818 5.968 4.267 1.00 0.00 C ATOM 565 C SER A 37 8.072 6.795 5.528 1.00 0.00 C ATOM 566 O SER A 37 7.206 7.518 5.979 1.00 0.00 O ATOM 567 CB SER A 37 8.809 6.347 3.176 1.00 0.00 C ATOM 568 OG SER A 37 9.471 5.174 2.730 1.00 0.00 O ATOM 0 H SER A 37 6.470 6.505 2.701 1.00 0.00 H new ATOM 0 HA SER A 37 7.907 4.922 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.291 6.826 2.346 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.533 7.067 3.558 1.00 0.00 H new ATOM 0 HG SER A 37 10.421 5.368 2.589 1.00 0.00 H new ATOM 574 N PRO A 38 9.260 6.662 6.068 1.00 0.00 N ATOM 575 CA PRO A 38 9.600 7.405 7.286 1.00 0.00 C ATOM 576 C PRO A 38 10.013 8.832 6.943 1.00 0.00 C ATOM 577 O PRO A 38 10.018 9.702 7.793 1.00 0.00 O ATOM 578 CB PRO A 38 10.766 6.627 7.876 1.00 0.00 C ATOM 579 CG PRO A 38 11.398 5.921 6.722 1.00 0.00 C ATOM 580 CD PRO A 38 10.378 5.829 5.608 1.00 0.00 C ATOM 0 HA PRO A 38 8.763 7.490 7.979 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.476 7.294 8.365 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.424 5.918 8.630 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.282 6.461 6.384 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.727 4.925 7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.785 6.195 4.665 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.064 4.799 5.441 1.00 0.00 H new ATOM 588 N THR A 39 10.374 9.091 5.712 1.00 0.00 N ATOM 589 CA THR A 39 10.792 10.479 5.369 1.00 0.00 C ATOM 590 C THR A 39 10.622 10.796 3.875 1.00 0.00 C ATOM 591 O THR A 39 11.051 11.838 3.418 1.00 0.00 O ATOM 592 CB THR A 39 12.261 10.541 5.784 1.00 0.00 C ATOM 593 OG1 THR A 39 12.763 11.850 5.555 1.00 0.00 O ATOM 594 CG2 THR A 39 13.074 9.529 4.974 1.00 0.00 C ATOM 0 H THR A 39 10.397 8.417 4.947 1.00 0.00 H new ATOM 0 HA THR A 39 10.175 11.220 5.878 1.00 0.00 H new ATOM 0 HB THR A 39 12.346 10.299 6.843 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.309 12.244 4.781 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.120 9.579 5.275 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.691 8.525 5.157 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.990 9.761 3.912 1.00 0.00 H new ATOM 602 N GLY A 40 9.985 9.944 3.107 1.00 0.00 N ATOM 603 CA GLY A 40 9.799 10.280 1.662 1.00 0.00 C ATOM 604 C GLY A 40 9.713 9.024 0.786 1.00 0.00 C ATOM 605 O GLY A 40 10.680 8.610 0.178 1.00 0.00 O ATOM 0 H GLY A 40 9.595 9.052 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.890 10.869 1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.629 10.901 1.325 1.00 0.00 H new ATOM 609 N ASP A 41 8.545 8.444 0.688 1.00 0.00 N ATOM 610 CA ASP A 41 8.349 7.238 -0.179 1.00 0.00 C ATOM 611 C ASP A 41 6.930 6.694 0.016 1.00 0.00 C ATOM 612 O ASP A 41 6.556 6.276 1.094 1.00 0.00 O ATOM 613 CB ASP A 41 9.390 6.204 0.260 1.00 0.00 C ATOM 614 CG ASP A 41 10.248 5.808 -0.942 1.00 0.00 C ATOM 615 OD1 ASP A 41 10.957 6.664 -1.447 1.00 0.00 O ATOM 616 OD2 ASP A 41 10.176 4.658 -1.342 1.00 0.00 O ATOM 0 H ASP A 41 7.706 8.757 1.177 1.00 0.00 H new ATOM 0 HA ASP A 41 8.472 7.478 -1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.018 6.616 1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.895 5.325 0.673 1.00 0.00 H new ATOM 621 N ARG A 42 6.133 6.714 -1.018 1.00 0.00 N ATOM 622 CA ARG A 42 4.733 6.215 -0.896 1.00 0.00 C ATOM 623 C ARG A 42 4.690 4.687 -0.962 1.00 0.00 C ATOM 624 O ARG A 42 5.064 4.087 -1.951 1.00 0.00 O ATOM 625 CB ARG A 42 3.993 6.822 -2.089 1.00 0.00 C ATOM 626 CG ARG A 42 2.497 6.904 -1.774 1.00 0.00 C ATOM 627 CD ARG A 42 2.167 8.287 -1.207 1.00 0.00 C ATOM 628 NE ARG A 42 1.197 8.877 -2.169 1.00 0.00 N ATOM 629 CZ ARG A 42 1.476 9.997 -2.777 1.00 0.00 C ATOM 630 NH1 ARG A 42 1.166 11.136 -2.221 1.00 0.00 N ATOM 631 NH2 ARG A 42 2.066 9.978 -3.940 1.00 0.00 N ATOM 0 H ARG A 42 6.392 7.055 -1.944 1.00 0.00 H new ATOM 0 HA ARG A 42 4.284 6.496 0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.385 7.816 -2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.155 6.214 -2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.914 6.721 -2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.223 6.131 -1.056 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.736 8.212 -0.209 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.063 8.903 -1.122 1.00 0.00 H new ATOM 0 HE ARG A 42 0.312 8.405 -2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.706 11.151 -1.311 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.384 12.012 -2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.309 9.088 -4.374 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.284 10.854 -4.416 1.00 0.00 H new ATOM 645 N ILE A 43 4.222 4.057 0.082 1.00 0.00 N ATOM 646 CA ILE A 43 4.134 2.569 0.086 1.00 0.00 C ATOM 647 C ILE A 43 2.674 2.149 0.265 1.00 0.00 C ATOM 648 O ILE A 43 1.893 2.836 0.895 1.00 0.00 O ATOM 649 CB ILE A 43 5.007 2.126 1.272 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.403 1.753 0.762 1.00 0.00 C ATOM 651 CG2 ILE A 43 4.389 0.908 1.967 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.010 2.935 0.005 1.00 0.00 C ATOM 0 H ILE A 43 3.896 4.511 0.935 1.00 0.00 H new ATOM 0 HA ILE A 43 4.478 2.112 -0.842 1.00 0.00 H new ATOM 0 HB ILE A 43 5.073 2.948 1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.044 1.477 1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.341 0.883 0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.020 0.608 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.395 1.164 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.312 0.084 1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.003 2.665 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.373 3.190 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.088 3.793 0.672 1.00 0.00 H new ATOM 664 N ARG A 44 2.297 1.032 -0.290 1.00 0.00 N ATOM 665 CA ARG A 44 0.884 0.574 -0.161 1.00 0.00 C ATOM 666 C ARG A 44 0.830 -0.880 0.319 1.00 0.00 C ATOM 667 O ARG A 44 -0.236 -1.444 0.474 1.00 0.00 O ATOM 668 CB ARG A 44 0.284 0.685 -1.570 1.00 0.00 C ATOM 669 CG ARG A 44 0.807 1.943 -2.270 1.00 0.00 C ATOM 670 CD ARG A 44 -0.097 2.282 -3.457 1.00 0.00 C ATOM 671 NE ARG A 44 -0.411 3.728 -3.296 1.00 0.00 N ATOM 672 CZ ARG A 44 0.146 4.611 -4.081 1.00 0.00 C ATOM 673 NH1 ARG A 44 1.400 4.485 -4.420 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.551 5.621 -4.525 1.00 0.00 N ATOM 0 H ARG A 44 2.906 0.415 -0.828 1.00 0.00 H new ATOM 0 HA ARG A 44 0.335 1.173 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.542 -0.199 -2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.804 0.720 -1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.833 2.778 -1.569 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.829 1.783 -2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.406 2.090 -4.405 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.004 1.677 -3.449 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.062 4.030 -2.571 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.946 3.697 -4.072 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.834 5.175 -5.033 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.531 5.721 -4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.116 6.311 -5.138 1.00 0.00 H new ATOM 688 N SER A 45 1.962 -1.500 0.548 1.00 0.00 N ATOM 689 CA SER A 45 1.941 -2.921 1.006 1.00 0.00 C ATOM 690 C SER A 45 3.256 -3.286 1.703 1.00 0.00 C ATOM 691 O SER A 45 4.088 -2.440 1.965 1.00 0.00 O ATOM 692 CB SER A 45 1.767 -3.736 -0.280 1.00 0.00 C ATOM 693 OG SER A 45 2.877 -4.612 -0.442 1.00 0.00 O ATOM 0 H SER A 45 2.889 -1.088 0.439 1.00 0.00 H new ATOM 0 HA SER A 45 1.148 -3.111 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.841 -4.310 -0.237 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.689 -3.069 -1.138 1.00 0.00 H new ATOM 0 HG SER A 45 2.764 -5.134 -1.264 1.00 0.00 H new ATOM 699 N LYS A 46 3.452 -4.549 1.985 1.00 0.00 N ATOM 700 CA LYS A 46 4.714 -4.983 2.642 1.00 0.00 C ATOM 701 C LYS A 46 5.830 -5.023 1.600 1.00 0.00 C ATOM 702 O LYS A 46 6.954 -4.640 1.864 1.00 0.00 O ATOM 703 CB LYS A 46 4.428 -6.384 3.183 1.00 0.00 C ATOM 704 CG LYS A 46 5.429 -6.715 4.292 1.00 0.00 C ATOM 705 CD LYS A 46 5.321 -8.199 4.651 1.00 0.00 C ATOM 706 CE LYS A 46 6.337 -8.998 3.830 1.00 0.00 C ATOM 707 NZ LYS A 46 5.671 -10.302 3.552 1.00 0.00 N ATOM 0 H LYS A 46 2.788 -5.298 1.787 1.00 0.00 H new ATOM 0 HA LYS A 46 5.029 -4.310 3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.410 -6.436 3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.502 -7.118 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.442 -6.482 3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.230 -6.102 5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.506 -8.341 5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.312 -8.560 4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.591 -8.480 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.266 -9.140 4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.308 -10.905 2.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.447 -10.776 4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.793 -10.137 3.019 1.00 0.00 H new ATOM 721 N VAL A 47 5.522 -5.467 0.408 1.00 0.00 N ATOM 722 CA VAL A 47 6.561 -5.513 -0.657 1.00 0.00 C ATOM 723 C VAL A 47 7.022 -4.086 -0.974 1.00 0.00 C ATOM 724 O VAL A 47 8.203 -3.802 -1.014 1.00 0.00 O ATOM 725 CB VAL A 47 5.857 -6.143 -1.856 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.740 -6.033 -3.096 1.00 0.00 C ATOM 727 CG2 VAL A 47 5.574 -7.617 -1.561 1.00 0.00 C ATOM 0 H VAL A 47 4.598 -5.798 0.130 1.00 0.00 H new ATOM 0 HA VAL A 47 7.447 -6.080 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 47 4.919 -5.618 -2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.230 -6.485 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.940 -4.983 -3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.682 -6.553 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.071 -8.069 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.513 -8.138 -1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.935 -7.696 -0.681 1.00 0.00 H new ATOM 737 N GLU A 48 6.095 -3.183 -1.181 1.00 0.00 N ATOM 738 CA GLU A 48 6.481 -1.770 -1.476 1.00 0.00 C ATOM 739 C GLU A 48 7.407 -1.261 -0.368 1.00 0.00 C ATOM 740 O GLU A 48 8.387 -0.580 -0.615 1.00 0.00 O ATOM 741 CB GLU A 48 5.167 -0.984 -1.499 1.00 0.00 C ATOM 742 CG GLU A 48 5.089 -0.167 -2.794 1.00 0.00 C ATOM 743 CD GLU A 48 3.628 0.143 -3.135 1.00 0.00 C ATOM 744 OE1 GLU A 48 2.759 -0.307 -2.408 1.00 0.00 O ATOM 745 OE2 GLU A 48 3.404 0.827 -4.119 1.00 0.00 O ATOM 0 H GLU A 48 5.091 -3.363 -1.158 1.00 0.00 H new ATOM 0 HA GLU A 48 7.014 -1.666 -2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.320 -1.667 -1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.110 -0.323 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.649 0.761 -2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.551 -0.721 -3.611 1.00 0.00 H new ATOM 752 N LEU A 49 7.109 -1.615 0.851 1.00 0.00 N ATOM 753 CA LEU A 49 7.967 -1.193 1.989 1.00 0.00 C ATOM 754 C LEU A 49 9.311 -1.916 1.876 1.00 0.00 C ATOM 755 O LEU A 49 10.367 -1.324 2.012 1.00 0.00 O ATOM 756 CB LEU A 49 7.183 -1.631 3.236 1.00 0.00 C ATOM 757 CG LEU A 49 8.095 -1.680 4.465 1.00 0.00 C ATOM 758 CD1 LEU A 49 8.634 -0.281 4.758 1.00 0.00 C ATOM 759 CD2 LEU A 49 7.291 -2.174 5.670 1.00 0.00 C ATOM 0 H LEU A 49 6.301 -2.183 1.108 1.00 0.00 H new ATOM 0 HA LEU A 49 8.182 -0.125 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.361 -0.938 3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.741 -2.613 3.067 1.00 0.00 H new ATOM 0 HG LEU A 49 8.927 -2.357 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.283 -0.317 5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.202 0.077 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.802 0.396 4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.936 -2.211 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.461 -1.493 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.902 -3.171 5.464 1.00 0.00 H new ATOM 771 N THR A 50 9.271 -3.190 1.600 1.00 0.00 N ATOM 772 CA THR A 50 10.532 -3.967 1.448 1.00 0.00 C ATOM 773 C THR A 50 11.372 -3.375 0.309 1.00 0.00 C ATOM 774 O THR A 50 12.572 -3.547 0.259 1.00 0.00 O ATOM 775 CB THR A 50 10.075 -5.388 1.100 1.00 0.00 C ATOM 776 OG1 THR A 50 9.315 -5.915 2.181 1.00 0.00 O ATOM 777 CG2 THR A 50 11.294 -6.278 0.852 1.00 0.00 C ATOM 0 H THR A 50 8.414 -3.729 1.473 1.00 0.00 H new ATOM 0 HA THR A 50 11.150 -3.947 2.345 1.00 0.00 H new ATOM 0 HB THR A 50 9.462 -5.360 0.199 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.435 -5.484 2.203 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.964 -7.287 0.605 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.877 -5.874 0.024 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.911 -6.308 1.750 1.00 0.00 H new ATOM 785 N ARG A 51 10.745 -2.681 -0.606 1.00 0.00 N ATOM 786 CA ARG A 51 11.505 -2.081 -1.743 1.00 0.00 C ATOM 787 C ARG A 51 12.354 -0.904 -1.259 1.00 0.00 C ATOM 788 O ARG A 51 13.561 -0.897 -1.412 1.00 0.00 O ATOM 789 CB ARG A 51 10.439 -1.597 -2.728 1.00 0.00 C ATOM 790 CG ARG A 51 9.545 -2.770 -3.137 1.00 0.00 C ATOM 791 CD ARG A 51 9.670 -3.012 -4.644 1.00 0.00 C ATOM 792 NE ARG A 51 8.676 -2.095 -5.266 1.00 0.00 N ATOM 793 CZ ARG A 51 8.998 -0.856 -5.517 1.00 0.00 C ATOM 794 NH1 ARG A 51 9.949 -0.589 -6.371 1.00 0.00 N ATOM 795 NH2 ARG A 51 8.370 0.117 -4.915 1.00 0.00 N ATOM 0 H ARG A 51 9.740 -2.504 -0.615 1.00 0.00 H new ATOM 0 HA ARG A 51 12.188 -2.799 -2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.838 -0.811 -2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.913 -1.164 -3.609 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.833 -3.668 -2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.508 -2.557 -2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.679 -2.797 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.459 -4.051 -4.896 1.00 0.00 H new ATOM 0 HE ARG A 51 7.743 -2.436 -5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.440 -1.349 -6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.201 0.380 -6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.627 -0.091 -4.248 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.622 1.086 -5.112 1.00 0.00 H new ATOM 809 N TYR A 52 11.736 0.095 -0.682 1.00 0.00 N ATOM 810 CA TYR A 52 12.520 1.274 -0.196 1.00 0.00 C ATOM 811 C TYR A 52 13.598 0.826 0.797 1.00 0.00 C ATOM 812 O TYR A 52 14.573 1.516 1.020 1.00 0.00 O ATOM 813 CB TYR A 52 11.496 2.183 0.493 1.00 0.00 C ATOM 814 CG TYR A 52 12.019 3.606 0.573 1.00 0.00 C ATOM 815 CD1 TYR A 52 12.719 4.169 -0.505 1.00 0.00 C ATOM 816 CD2 TYR A 52 11.790 4.370 1.727 1.00 0.00 C ATOM 817 CE1 TYR A 52 13.189 5.486 -0.426 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.258 5.687 1.802 1.00 0.00 C ATOM 819 CZ TYR A 52 12.958 6.243 0.727 1.00 0.00 C ATOM 820 OH TYR A 52 13.419 7.541 0.802 1.00 0.00 O ATOM 0 H TYR A 52 10.729 0.147 -0.526 1.00 0.00 H new ATOM 0 HA TYR A 52 13.034 1.786 -1.009 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.556 2.165 -0.058 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.285 1.810 1.495 1.00 0.00 H new ATOM 0 HD1 TYR A 52 12.896 3.586 -1.397 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.252 3.941 2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.730 5.917 -1.256 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.078 6.274 2.691 1.00 0.00 H new ATOM 0 HH TYR A 52 12.681 8.161 0.626 1.00 0.00 H new ATOM 830 N LEU A 53 13.428 -0.323 1.397 1.00 0.00 N ATOM 831 CA LEU A 53 14.442 -0.810 2.378 1.00 0.00 C ATOM 832 C LEU A 53 15.492 -1.688 1.685 1.00 0.00 C ATOM 833 O LEU A 53 16.528 -1.984 2.249 1.00 0.00 O ATOM 834 CB LEU A 53 13.645 -1.623 3.396 1.00 0.00 C ATOM 835 CG LEU A 53 12.570 -0.733 4.026 1.00 0.00 C ATOM 836 CD1 LEU A 53 11.559 -1.603 4.773 1.00 0.00 C ATOM 837 CD2 LEU A 53 13.225 0.248 5.003 1.00 0.00 C ATOM 0 H LEU A 53 12.632 -0.944 1.250 1.00 0.00 H new ATOM 0 HA LEU A 53 14.987 0.011 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 53 13.183 -2.482 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.309 -2.012 4.168 1.00 0.00 H new ATOM 0 HG LEU A 53 12.057 -0.175 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.794 -0.969 5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.091 -2.298 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.070 -2.164 5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.459 0.881 5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.740 -0.308 5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.943 0.870 4.468 1.00 0.00 H new ATOM 849 N GLY A 54 15.241 -2.104 0.470 1.00 0.00 N ATOM 850 CA GLY A 54 16.233 -2.956 -0.246 1.00 0.00 C ATOM 851 C GLY A 54 15.577 -4.278 -0.654 1.00 0.00 C ATOM 852 O GLY A 54 14.648 -4.730 -0.017 1.00 0.00 O ATOM 0 H GLY A 54 14.393 -1.890 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.604 -2.435 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.093 -3.148 0.396 1.00 0.00 H new ATOM 856 N PRO A 55 16.087 -4.862 -1.709 1.00 0.00 N ATOM 857 CA PRO A 55 15.537 -6.150 -2.204 1.00 0.00 C ATOM 858 C PRO A 55 15.850 -7.280 -1.218 1.00 0.00 C ATOM 859 O PRO A 55 15.204 -8.310 -1.218 1.00 0.00 O ATOM 860 CB PRO A 55 16.260 -6.362 -3.532 1.00 0.00 C ATOM 861 CG PRO A 55 17.525 -5.575 -3.408 1.00 0.00 C ATOM 862 CD PRO A 55 17.210 -4.394 -2.528 1.00 0.00 C ATOM 0 HA PRO A 55 14.453 -6.140 -2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 55 16.467 -7.418 -3.706 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.657 -6.013 -4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.319 -6.182 -2.973 1.00 0.00 H new ATOM 0 HG3 PRO A 55 17.875 -5.247 -4.387 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.065 -4.113 -1.913 1.00 0.00 H new ATOM 0 HD3 PRO A 55 16.939 -3.517 -3.116 1.00 0.00 H new ATOM 870 N ALA A 56 16.830 -7.093 -0.375 1.00 0.00 N ATOM 871 CA ALA A 56 17.177 -8.154 0.614 1.00 0.00 C ATOM 872 C ALA A 56 16.651 -7.779 2.006 1.00 0.00 C ATOM 873 O ALA A 56 16.961 -8.425 2.987 1.00 0.00 O ATOM 874 CB ALA A 56 18.706 -8.207 0.614 1.00 0.00 C ATOM 0 H ALA A 56 17.405 -6.252 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 56 16.734 -9.117 0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.044 -8.967 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.061 -8.456 -0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.104 -7.236 0.909 1.00 0.00 H new ATOM 880 N CYS A 57 15.858 -6.742 2.097 1.00 0.00 N ATOM 881 CA CYS A 57 15.314 -6.329 3.425 1.00 0.00 C ATOM 882 C CYS A 57 13.845 -6.748 3.546 1.00 0.00 C ATOM 883 O CYS A 57 12.965 -5.923 3.688 1.00 0.00 O ATOM 884 CB CYS A 57 15.445 -4.805 3.450 1.00 0.00 C ATOM 885 SG CYS A 57 17.153 -4.353 3.842 1.00 0.00 S ATOM 0 H CYS A 57 15.564 -6.164 1.310 1.00 0.00 H new ATOM 0 HA CYS A 57 15.846 -6.795 4.255 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.160 -4.389 2.484 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.766 -4.383 4.191 1.00 0.00 H new ATOM 0 HG CYS A 57 17.429 -3.199 3.310 1.00 0.00 H new ATOM 891 N ASP A 58 13.578 -8.026 3.488 1.00 0.00 N ATOM 892 CA ASP A 58 12.167 -8.503 3.599 1.00 0.00 C ATOM 893 C ASP A 58 11.594 -8.144 4.972 1.00 0.00 C ATOM 894 O ASP A 58 12.314 -7.753 5.870 1.00 0.00 O ATOM 895 CB ASP A 58 12.240 -10.023 3.433 1.00 0.00 C ATOM 896 CG ASP A 58 11.210 -10.476 2.396 1.00 0.00 C ATOM 897 OD1 ASP A 58 11.116 -9.833 1.363 1.00 0.00 O ATOM 898 OD2 ASP A 58 10.532 -11.457 2.652 1.00 0.00 O ATOM 0 H ASP A 58 14.276 -8.761 3.369 1.00 0.00 H new ATOM 0 HA ASP A 58 11.520 -8.044 2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.241 -10.317 3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.049 -10.513 4.388 1.00 0.00 H new ATOM 903 N LEU A 59 10.305 -8.277 5.140 1.00 0.00 N ATOM 904 CA LEU A 59 9.686 -7.946 6.457 1.00 0.00 C ATOM 905 C LEU A 59 8.573 -8.947 6.780 1.00 0.00 C ATOM 906 O LEU A 59 7.414 -8.592 6.884 1.00 0.00 O ATOM 907 CB LEU A 59 9.109 -6.540 6.286 1.00 0.00 C ATOM 908 CG LEU A 59 10.245 -5.533 6.094 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.658 -4.151 5.806 1.00 0.00 C ATOM 910 CD2 LEU A 59 11.094 -5.471 7.367 1.00 0.00 C ATOM 0 H LEU A 59 9.655 -8.600 4.424 1.00 0.00 H new ATOM 0 HA LEU A 59 10.405 -7.992 7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.439 -6.514 5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.517 -6.271 7.161 1.00 0.00 H new ATOM 0 HG LEU A 59 10.869 -5.845 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.467 -3.433 5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.054 -4.194 4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.034 -3.839 6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.903 -4.754 7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.471 -5.159 8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.513 -6.456 7.573 1.00 0.00 H new ATOM 922 N THR A 60 8.916 -10.197 6.938 1.00 0.00 N ATOM 923 CA THR A 60 7.881 -11.224 7.253 1.00 0.00 C ATOM 924 C THR A 60 7.241 -10.937 8.615 1.00 0.00 C ATOM 925 O THR A 60 6.175 -11.433 8.925 1.00 0.00 O ATOM 926 CB THR A 60 8.632 -12.560 7.288 1.00 0.00 C ATOM 927 OG1 THR A 60 9.830 -12.456 6.530 1.00 0.00 O ATOM 928 CG2 THR A 60 7.747 -13.657 6.696 1.00 0.00 C ATOM 0 H THR A 60 9.869 -10.552 6.862 1.00 0.00 H new ATOM 0 HA THR A 60 7.077 -11.229 6.517 1.00 0.00 H new ATOM 0 HB THR A 60 8.879 -12.808 8.320 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.309 -13.311 6.556 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.280 -14.607 6.720 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.831 -13.740 7.280 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.498 -13.407 5.665 1.00 0.00 H new ATOM 936 N LEU A 61 7.882 -10.142 9.432 1.00 0.00 N ATOM 937 CA LEU A 61 7.310 -9.827 10.774 1.00 0.00 C ATOM 938 C LEU A 61 6.395 -8.602 10.689 1.00 0.00 C ATOM 939 O LEU A 61 5.478 -8.448 11.472 1.00 0.00 O ATOM 940 CB LEU A 61 8.523 -9.536 11.657 1.00 0.00 C ATOM 941 CG LEU A 61 9.404 -10.783 11.745 1.00 0.00 C ATOM 942 CD1 LEU A 61 10.878 -10.375 11.692 1.00 0.00 C ATOM 943 CD2 LEU A 61 9.126 -11.515 13.060 1.00 0.00 C ATOM 0 H LEU A 61 8.777 -9.697 9.227 1.00 0.00 H new ATOM 0 HA LEU A 61 6.704 -10.642 11.168 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.094 -8.703 11.246 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.197 -9.238 12.653 1.00 0.00 H new ATOM 0 HG LEU A 61 9.179 -11.443 10.907 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.504 -11.265 11.755 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.078 -9.856 10.755 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.103 -9.713 12.529 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.754 -12.404 13.122 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.348 -10.854 13.898 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.077 -11.809 13.098 1.00 0.00 H new ATOM 955 N PHE A 62 6.636 -7.730 9.747 1.00 0.00 N ATOM 956 CA PHE A 62 5.776 -6.516 9.614 1.00 0.00 C ATOM 957 C PHE A 62 4.363 -6.917 9.181 1.00 0.00 C ATOM 958 O PHE A 62 4.172 -7.532 8.149 1.00 0.00 O ATOM 959 CB PHE A 62 6.452 -5.663 8.534 1.00 0.00 C ATOM 960 CG PHE A 62 5.576 -4.479 8.182 1.00 0.00 C ATOM 961 CD1 PHE A 62 4.497 -4.643 7.304 1.00 0.00 C ATOM 962 CD2 PHE A 62 5.846 -3.217 8.730 1.00 0.00 C ATOM 963 CE1 PHE A 62 3.690 -3.549 6.972 1.00 0.00 C ATOM 964 CE2 PHE A 62 5.036 -2.124 8.397 1.00 0.00 C ATOM 965 CZ PHE A 62 3.960 -2.289 7.519 1.00 0.00 C ATOM 0 H PHE A 62 7.390 -7.805 9.064 1.00 0.00 H new ATOM 0 HA PHE A 62 5.678 -5.973 10.554 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.422 -5.315 8.889 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.636 -6.266 7.645 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.288 -5.615 6.883 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.677 -3.088 9.408 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.859 -3.677 6.294 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.243 -1.152 8.819 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.337 -1.444 7.263 1.00 0.00 H new ATOM 975 N ASP A 63 3.373 -6.569 9.958 1.00 0.00 N ATOM 976 CA ASP A 63 1.974 -6.923 9.586 1.00 0.00 C ATOM 977 C ASP A 63 1.398 -5.854 8.652 1.00 0.00 C ATOM 978 O ASP A 63 1.596 -4.672 8.853 1.00 0.00 O ATOM 979 CB ASP A 63 1.207 -6.962 10.907 1.00 0.00 C ATOM 980 CG ASP A 63 0.097 -8.011 10.822 1.00 0.00 C ATOM 981 OD1 ASP A 63 -0.848 -7.785 10.083 1.00 0.00 O ATOM 982 OD2 ASP A 63 0.210 -9.022 11.494 1.00 0.00 O ATOM 0 H ASP A 63 3.473 -6.055 10.834 1.00 0.00 H new ATOM 0 HA ASP A 63 1.910 -7.875 9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.885 -7.200 11.726 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.780 -5.982 11.121 1.00 0.00 H new ATOM 987 N PHE A 64 0.694 -6.260 7.629 1.00 0.00 N ATOM 988 CA PHE A 64 0.112 -5.267 6.678 1.00 0.00 C ATOM 989 C PHE A 64 -1.129 -4.604 7.289 1.00 0.00 C ATOM 990 O PHE A 64 -1.135 -3.423 7.575 1.00 0.00 O ATOM 991 CB PHE A 64 -0.259 -6.084 5.435 1.00 0.00 C ATOM 992 CG PHE A 64 -1.100 -5.248 4.497 1.00 0.00 C ATOM 993 CD1 PHE A 64 -0.491 -4.330 3.631 1.00 0.00 C ATOM 994 CD2 PHE A 64 -2.493 -5.393 4.495 1.00 0.00 C ATOM 995 CE1 PHE A 64 -1.276 -3.560 2.766 1.00 0.00 C ATOM 996 CE2 PHE A 64 -3.277 -4.621 3.629 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.669 -3.704 2.765 1.00 0.00 C ATOM 0 H PHE A 64 0.496 -7.237 7.410 1.00 0.00 H new ATOM 0 HA PHE A 64 0.807 -4.462 6.442 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.645 -6.417 4.926 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.808 -6.979 5.729 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.583 -4.217 3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.963 -6.101 5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.807 -2.853 2.098 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.351 -4.733 3.628 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.273 -3.108 2.098 1.00 0.00 H new ATOM 1007 N LYS A 65 -2.180 -5.355 7.483 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.423 -4.769 8.066 1.00 0.00 C ATOM 1009 C LYS A 65 -3.141 -4.157 9.442 1.00 0.00 C ATOM 1010 O LYS A 65 -3.872 -3.307 9.913 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.396 -5.944 8.192 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.796 -5.495 7.765 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.827 -5.290 6.249 1.00 0.00 C ATOM 1014 CE LYS A 65 -7.251 -4.947 5.807 1.00 0.00 C ATOM 1015 NZ LYS A 65 -7.564 -3.658 6.485 1.00 0.00 N ATOM 0 H LYS A 65 -2.232 -6.350 7.263 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.824 -3.968 7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.063 -6.774 7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.416 -6.305 9.220 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.534 -6.243 8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.063 -4.568 8.273 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.145 -4.489 5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.486 -6.193 5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.315 -4.849 4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.954 -5.727 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.280 -3.141 5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.931 -3.848 7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.700 -3.084 6.555 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.089 -4.581 10.094 1.00 0.00 N ATOM 1030 CA GLN A 66 -1.770 -4.021 11.439 1.00 0.00 C ATOM 1031 C GLN A 66 -0.661 -2.968 11.331 1.00 0.00 C ATOM 1032 O GLN A 66 -0.795 -1.862 11.818 1.00 0.00 O ATOM 1033 CB GLN A 66 -1.301 -5.221 12.267 1.00 0.00 C ATOM 1034 CG GLN A 66 -2.280 -5.468 13.416 1.00 0.00 C ATOM 1035 CD GLN A 66 -2.001 -6.836 14.042 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -0.930 -7.071 14.565 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -2.926 -7.756 14.010 1.00 0.00 N ATOM 0 H GLN A 66 -1.439 -5.289 9.753 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.628 -3.525 11.893 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.235 -6.107 11.636 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.302 -5.035 12.661 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.179 -4.685 14.168 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.305 -5.427 13.049 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.826 -7.560 13.571 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.749 -8.671 14.424 1.00 0.00 H new ATOM 1046 N GLY A 67 0.433 -3.301 10.698 1.00 0.00 N ATOM 1047 CA GLY A 67 1.546 -2.318 10.561 1.00 0.00 C ATOM 1048 C GLY A 67 2.354 -2.273 11.859 1.00 0.00 C ATOM 1049 O GLY A 67 2.422 -1.259 12.525 1.00 0.00 O ATOM 0 H GLY A 67 0.603 -4.211 10.270 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.192 -2.598 9.729 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.146 -1.330 10.335 1.00 0.00 H new ATOM 1053 N ILE A 68 2.969 -3.368 12.223 1.00 0.00 N ATOM 1054 CA ILE A 68 3.778 -3.394 13.480 1.00 0.00 C ATOM 1055 C ILE A 68 4.765 -4.562 13.450 1.00 0.00 C ATOM 1056 O ILE A 68 4.471 -5.622 12.933 1.00 0.00 O ATOM 1057 CB ILE A 68 2.776 -3.579 14.627 1.00 0.00 C ATOM 1058 CG1 ILE A 68 1.542 -4.345 14.135 1.00 0.00 C ATOM 1059 CG2 ILE A 68 2.348 -2.207 15.154 1.00 0.00 C ATOM 1060 CD1 ILE A 68 0.633 -4.672 15.322 1.00 0.00 C ATOM 0 H ILE A 68 2.947 -4.246 11.705 1.00 0.00 H new ATOM 0 HA ILE A 68 4.358 -2.479 13.599 1.00 0.00 H new ATOM 0 HB ILE A 68 3.251 -4.149 15.425 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.999 -3.748 13.402 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.848 -5.264 13.634 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.636 -2.336 15.969 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.223 -1.668 15.518 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.880 -1.638 14.350 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.243 -5.216 14.970 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.178 -5.286 16.039 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.316 -3.747 15.803 1.00 0.00 H new ATOM 1072 N LEU A 69 5.931 -4.376 14.006 1.00 0.00 N ATOM 1073 CA LEU A 69 6.936 -5.476 14.017 1.00 0.00 C ATOM 1074 C LEU A 69 6.902 -6.195 15.367 1.00 0.00 C ATOM 1075 O LEU A 69 7.629 -5.853 16.279 1.00 0.00 O ATOM 1076 CB LEU A 69 8.290 -4.789 13.815 1.00 0.00 C ATOM 1077 CG LEU A 69 8.644 -4.752 12.325 1.00 0.00 C ATOM 1078 CD1 LEU A 69 10.002 -4.071 12.144 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.716 -6.179 11.770 1.00 0.00 C ATOM 0 H LEU A 69 6.231 -3.510 14.453 1.00 0.00 H new ATOM 0 HA LEU A 69 6.741 -6.221 13.245 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.255 -3.775 14.214 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.063 -5.323 14.367 1.00 0.00 H new ATOM 0 HG LEU A 69 7.876 -4.195 11.788 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.257 -4.043 11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.954 -3.054 12.532 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.765 -4.630 12.686 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.968 -6.145 10.710 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.481 -6.740 12.307 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.750 -6.668 11.898 1.00 0.00 H new