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 44:sc= 0.587 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -124:sc= -0.175 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.0405 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 52:sc= 1.16 USER MOD Single : A 27 THR OG1 : rot -125:sc= -1.85! USER MOD Single : A 28 CYS SG : rot 29:sc= 0.415 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -11:sc= 0.587 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 37 SER OG : rot -131:sc= -2.26! USER MOD Single : A 39 THR OG1 : rot -35:sc= 0.834 USER MOD Single : A 45 SER OG : rot 28:sc= 0.246 USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.147 (180deg=-0.517) USER MOD Single : A 50 THR OG1 : rot 77:sc= 0.41 USER MOD Single : A 52 TYR OH : rot 110:sc= -2.76! USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 101:sc= 0.0894 USER MOD Single : A 66 GLN : amide:sc= -0.214 K(o=-0.21,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -4.043 10.559 9.298 1.00 0.00 N ATOM 56 CA TRP A 5 -2.848 9.670 9.200 1.00 0.00 C ATOM 57 C TRP A 5 -2.382 9.262 10.601 1.00 0.00 C ATOM 58 O TRP A 5 -2.241 10.088 11.482 1.00 0.00 O ATOM 59 CB TRP A 5 -1.779 10.518 8.510 1.00 0.00 C ATOM 60 CG TRP A 5 -1.845 10.302 7.032 1.00 0.00 C ATOM 61 CD1 TRP A 5 -2.487 11.107 6.155 1.00 0.00 C ATOM 62 CD2 TRP A 5 -1.254 9.228 6.243 1.00 0.00 C ATOM 63 NE1 TRP A 5 -2.330 10.596 4.880 1.00 0.00 N ATOM 64 CE2 TRP A 5 -1.577 9.439 4.883 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.477 8.103 6.573 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -1.145 8.565 3.884 1.00 0.00 C ATOM 67 CZ3 TRP A 5 -0.041 7.221 5.572 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.374 7.451 4.230 1.00 0.00 C ATOM 0 HA TRP A 5 -3.059 8.752 8.651 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -1.932 11.572 8.741 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -0.791 10.250 8.883 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.033 12.003 6.409 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.722 11.022 4.040 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.214 7.917 7.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.404 8.748 2.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.555 6.360 5.837 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.036 6.769 3.464 1.00 0.00 H new ATOM 79 N LEU A 6 -2.142 7.996 10.813 1.00 0.00 N ATOM 80 CA LEU A 6 -1.686 7.534 12.157 1.00 0.00 C ATOM 81 C LEU A 6 -0.212 7.122 12.100 1.00 0.00 C ATOM 82 O LEU A 6 0.324 6.851 11.046 1.00 0.00 O ATOM 83 CB LEU A 6 -2.569 6.328 12.483 1.00 0.00 C ATOM 84 CG LEU A 6 -4.034 6.767 12.546 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.936 5.532 12.607 1.00 0.00 C ATOM 86 CD2 LEU A 6 -4.260 7.624 13.796 1.00 0.00 C ATOM 0 H LEU A 6 -2.242 7.261 10.113 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.769 8.315 12.913 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.442 5.556 11.724 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.268 5.891 13.435 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.274 7.350 11.657 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.979 5.845 12.652 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.778 4.922 11.718 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.694 4.948 13.495 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.304 7.936 13.840 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.018 7.042 14.685 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.620 8.505 13.754 1.00 0.00 H new ATOM 98 N ASP A 7 0.446 7.074 13.227 1.00 0.00 N ATOM 99 CA ASP A 7 1.885 6.679 13.237 1.00 0.00 C ATOM 100 C ASP A 7 2.039 5.234 12.752 1.00 0.00 C ATOM 101 O ASP A 7 1.070 4.567 12.448 1.00 0.00 O ATOM 102 CB ASP A 7 2.325 6.802 14.697 1.00 0.00 C ATOM 103 CG ASP A 7 2.707 8.253 14.995 1.00 0.00 C ATOM 104 OD1 ASP A 7 1.979 9.136 14.570 1.00 0.00 O ATOM 105 OD2 ASP A 7 3.722 8.458 15.640 1.00 0.00 O ATOM 0 H ASP A 7 0.050 7.291 14.141 1.00 0.00 H new ATOM 0 HA ASP A 7 2.487 7.304 12.578 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.519 6.484 15.359 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.173 6.145 14.889 1.00 0.00 H new ATOM 110 N CYS A 8 3.249 4.749 12.679 1.00 0.00 N ATOM 111 CA CYS A 8 3.469 3.350 12.215 1.00 0.00 C ATOM 112 C CYS A 8 4.756 2.789 12.835 1.00 0.00 C ATOM 113 O CYS A 8 5.820 2.900 12.261 1.00 0.00 O ATOM 114 CB CYS A 8 3.595 3.455 10.696 1.00 0.00 C ATOM 115 SG CYS A 8 3.836 1.807 9.988 1.00 0.00 S ATOM 0 H CYS A 8 4.096 5.263 12.921 1.00 0.00 H new ATOM 0 HA CYS A 8 2.661 2.679 12.506 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.699 3.913 10.278 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.434 4.100 10.435 1.00 0.00 H new ATOM 0 HG CYS A 8 3.941 1.901 8.696 1.00 0.00 H new ATOM 121 N PRO A 9 4.609 2.206 13.998 1.00 0.00 N ATOM 122 CA PRO A 9 5.772 1.622 14.715 1.00 0.00 C ATOM 123 C PRO A 9 6.253 0.333 14.052 1.00 0.00 C ATOM 124 O PRO A 9 7.257 -0.231 14.444 1.00 0.00 O ATOM 125 CB PRO A 9 5.222 1.313 16.100 1.00 0.00 C ATOM 126 CG PRO A 9 3.747 1.165 15.911 1.00 0.00 C ATOM 127 CD PRO A 9 3.359 2.036 14.748 1.00 0.00 C ATOM 0 HA PRO A 9 6.628 2.297 14.722 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.661 0.401 16.504 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.451 2.114 16.802 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.486 0.125 15.717 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.212 1.465 16.812 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.588 1.566 14.137 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.961 2.994 15.082 1.00 0.00 H new ATOM 135 N ALA A 10 5.545 -0.152 13.074 1.00 0.00 N ATOM 136 CA ALA A 10 5.966 -1.421 12.418 1.00 0.00 C ATOM 137 C ALA A 10 7.426 -1.344 11.964 1.00 0.00 C ATOM 138 O ALA A 10 8.158 -2.311 12.035 1.00 0.00 O ATOM 139 CB ALA A 10 5.036 -1.583 11.214 1.00 0.00 C ATOM 0 H ALA A 10 4.696 0.272 12.700 1.00 0.00 H new ATOM 0 HA ALA A 10 5.899 -2.268 13.101 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.288 -2.500 10.681 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.003 -1.635 11.557 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.154 -0.730 10.546 1.00 0.00 H new ATOM 145 N LEU A 11 7.852 -0.204 11.495 1.00 0.00 N ATOM 146 CA LEU A 11 9.264 -0.071 11.029 1.00 0.00 C ATOM 147 C LEU A 11 10.058 0.854 11.957 1.00 0.00 C ATOM 148 O LEU A 11 11.010 0.437 12.590 1.00 0.00 O ATOM 149 CB LEU A 11 9.156 0.530 9.629 1.00 0.00 C ATOM 150 CG LEU A 11 8.423 -0.452 8.711 1.00 0.00 C ATOM 151 CD1 LEU A 11 6.951 -0.048 8.601 1.00 0.00 C ATOM 152 CD2 LEU A 11 9.064 -0.429 7.320 1.00 0.00 C ATOM 0 H LEU A 11 7.286 0.641 11.414 1.00 0.00 H new ATOM 0 HA LEU A 11 9.788 -1.027 11.028 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.620 1.478 9.668 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.150 0.742 9.234 1.00 0.00 H new ATOM 0 HG LEU A 11 8.494 -1.457 9.127 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.430 -0.747 7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.494 -0.066 9.590 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.880 0.958 8.187 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.542 -1.128 6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.995 0.576 6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.112 -0.719 7.397 1.00 0.00 H new ATOM 164 N GLY A 12 9.685 2.105 12.043 1.00 0.00 N ATOM 165 CA GLY A 12 10.432 3.043 12.931 1.00 0.00 C ATOM 166 C GLY A 12 9.783 4.431 12.896 1.00 0.00 C ATOM 167 O GLY A 12 8.632 4.567 12.528 1.00 0.00 O ATOM 0 H GLY A 12 8.899 2.515 11.539 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.439 2.662 13.952 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.471 3.111 12.609 1.00 0.00 H new ATOM 171 N PRO A 13 10.546 5.421 13.290 1.00 0.00 N ATOM 172 CA PRO A 13 10.035 6.815 13.311 1.00 0.00 C ATOM 173 C PRO A 13 9.929 7.375 11.889 1.00 0.00 C ATOM 174 O PRO A 13 10.725 7.062 11.026 1.00 0.00 O ATOM 175 CB PRO A 13 11.091 7.572 14.112 1.00 0.00 C ATOM 176 CG PRO A 13 12.346 6.776 13.953 1.00 0.00 C ATOM 177 CD PRO A 13 11.939 5.339 13.749 1.00 0.00 C ATOM 0 HA PRO A 13 9.037 6.895 13.742 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.218 8.587 13.736 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.806 7.654 15.161 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.925 7.136 13.103 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.979 6.875 14.835 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.573 4.846 13.012 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.021 4.767 14.673 1.00 0.00 H new ATOM 185 N GLY A 14 8.949 8.204 11.646 1.00 0.00 N ATOM 186 CA GLY A 14 8.777 8.793 10.287 1.00 0.00 C ATOM 187 C GLY A 14 7.672 8.038 9.546 1.00 0.00 C ATOM 188 O GLY A 14 6.912 8.614 8.791 1.00 0.00 O ATOM 0 H GLY A 14 8.257 8.500 12.334 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.522 9.850 10.366 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.712 8.731 9.730 1.00 0.00 H new ATOM 192 N TRP A 15 7.591 6.748 9.741 1.00 0.00 N ATOM 193 CA TRP A 15 6.552 5.942 9.033 1.00 0.00 C ATOM 194 C TRP A 15 5.147 6.418 9.404 1.00 0.00 C ATOM 195 O TRP A 15 4.899 6.863 10.508 1.00 0.00 O ATOM 196 CB TRP A 15 6.771 4.505 9.508 1.00 0.00 C ATOM 197 CG TRP A 15 7.921 3.901 8.771 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.189 3.827 9.236 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.930 3.283 7.453 1.00 0.00 C ATOM 200 NE1 TRP A 15 9.976 3.202 8.285 1.00 0.00 N ATOM 201 CE2 TRP A 15 9.245 2.848 7.169 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.934 3.059 6.486 1.00 0.00 C ATOM 203 CZ2 TRP A 15 9.563 2.213 5.969 1.00 0.00 C ATOM 204 CZ3 TRP A 15 7.250 2.421 5.277 1.00 0.00 C ATOM 205 CH2 TRP A 15 8.563 1.998 5.018 1.00 0.00 C ATOM 0 H TRP A 15 8.201 6.216 10.362 1.00 0.00 H new ATOM 0 HA TRP A 15 6.636 6.035 7.950 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.967 4.492 10.580 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.870 3.915 9.341 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.531 4.195 10.192 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.974 3.025 8.395 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.920 3.380 6.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.575 1.890 5.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.478 2.254 4.541 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.800 1.507 4.085 1.00 0.00 H new ATOM 216 N LYS A 16 4.225 6.319 8.484 1.00 0.00 N ATOM 217 CA LYS A 16 2.825 6.755 8.766 1.00 0.00 C ATOM 218 C LYS A 16 1.838 5.770 8.134 1.00 0.00 C ATOM 219 O LYS A 16 2.135 5.135 7.142 1.00 0.00 O ATOM 220 CB LYS A 16 2.702 8.135 8.117 1.00 0.00 C ATOM 221 CG LYS A 16 2.619 9.212 9.202 1.00 0.00 C ATOM 222 CD LYS A 16 4.008 9.809 9.436 1.00 0.00 C ATOM 223 CE LYS A 16 3.868 11.185 10.093 1.00 0.00 C ATOM 224 NZ LYS A 16 3.964 12.161 8.971 1.00 0.00 N ATOM 0 H LYS A 16 4.381 5.953 7.545 1.00 0.00 H new ATOM 0 HA LYS A 16 2.604 6.790 9.833 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.560 8.321 7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.814 8.172 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.922 9.994 8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.236 8.782 10.127 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.597 9.149 10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.541 9.899 8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.916 11.277 10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.654 11.352 10.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.877 13.128 9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.883 12.055 8.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.199 11.982 8.289 1.00 0.00 H new ATOM 238 N ARG A 17 0.668 5.634 8.700 1.00 0.00 N ATOM 239 CA ARG A 17 -0.332 4.686 8.129 1.00 0.00 C ATOM 240 C ARG A 17 -1.707 5.353 8.022 1.00 0.00 C ATOM 241 O ARG A 17 -2.109 6.120 8.874 1.00 0.00 O ATOM 242 CB ARG A 17 -0.380 3.513 9.114 1.00 0.00 C ATOM 243 CG ARG A 17 -1.540 2.578 8.747 1.00 0.00 C ATOM 244 CD ARG A 17 -1.550 1.369 9.687 1.00 0.00 C ATOM 245 NE ARG A 17 -1.668 1.943 11.056 1.00 0.00 N ATOM 246 CZ ARG A 17 -2.787 1.828 11.717 1.00 0.00 C ATOM 247 NH1 ARG A 17 -3.924 2.069 11.123 1.00 0.00 N ATOM 248 NH2 ARG A 17 -2.769 1.473 12.972 1.00 0.00 N ATOM 0 H ARG A 17 0.362 6.138 9.532 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.060 4.365 7.124 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.563 2.966 9.090 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.507 3.884 10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.487 3.113 8.818 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.438 2.246 7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.385 0.704 9.465 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.638 0.781 9.583 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.874 2.426 11.477 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.938 2.347 10.142 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.799 1.979 11.640 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.880 1.285 13.436 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.644 1.383 13.489 1.00 0.00 H new ATOM 262 N ARG A 18 -2.431 5.049 6.979 1.00 0.00 N ATOM 263 CA ARG A 18 -3.787 5.638 6.799 1.00 0.00 C ATOM 264 C ARG A 18 -4.774 4.533 6.415 1.00 0.00 C ATOM 265 O ARG A 18 -4.446 3.633 5.666 1.00 0.00 O ATOM 266 CB ARG A 18 -3.633 6.648 5.659 1.00 0.00 C ATOM 267 CG ARG A 18 -4.999 7.241 5.308 1.00 0.00 C ATOM 268 CD ARG A 18 -4.807 8.556 4.549 1.00 0.00 C ATOM 269 NE ARG A 18 -5.812 8.516 3.449 1.00 0.00 N ATOM 270 CZ ARG A 18 -6.182 9.622 2.859 1.00 0.00 C ATOM 271 NH1 ARG A 18 -5.327 10.594 2.694 1.00 0.00 N ATOM 272 NH2 ARG A 18 -7.408 9.754 2.434 1.00 0.00 N ATOM 0 H ARG A 18 -2.138 4.412 6.238 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.166 6.112 7.704 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.946 7.441 5.953 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.202 6.161 4.784 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.567 6.537 4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.576 7.414 6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.969 9.415 5.200 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.794 8.640 4.155 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.212 7.624 3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.368 10.491 3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.618 11.456 2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.077 8.995 2.562 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.698 10.617 1.973 1.00 0.00 H new ATOM 286 N GLU A 19 -5.978 4.589 6.918 1.00 0.00 N ATOM 287 CA GLU A 19 -6.977 3.535 6.576 1.00 0.00 C ATOM 288 C GLU A 19 -7.918 4.041 5.481 1.00 0.00 C ATOM 289 O GLU A 19 -8.481 5.113 5.579 1.00 0.00 O ATOM 290 CB GLU A 19 -7.744 3.272 7.875 1.00 0.00 C ATOM 291 CG GLU A 19 -7.458 1.848 8.359 1.00 0.00 C ATOM 292 CD GLU A 19 -8.246 1.576 9.641 1.00 0.00 C ATOM 293 OE1 GLU A 19 -7.783 1.981 10.695 1.00 0.00 O ATOM 294 OE2 GLU A 19 -9.298 0.966 9.548 1.00 0.00 O ATOM 0 H GLU A 19 -6.313 5.317 7.549 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.509 2.627 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.447 3.993 8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.814 3.404 7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.736 1.128 7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.391 1.722 8.542 1.00 0.00 H new ATOM 301 N VAL A 20 -8.085 3.276 4.435 1.00 0.00 N ATOM 302 CA VAL A 20 -8.982 3.710 3.325 1.00 0.00 C ATOM 303 C VAL A 20 -10.175 2.759 3.202 1.00 0.00 C ATOM 304 O VAL A 20 -10.071 1.696 2.625 1.00 0.00 O ATOM 305 CB VAL A 20 -8.121 3.641 2.061 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.888 4.254 0.888 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.822 4.419 2.278 1.00 0.00 C ATOM 0 H VAL A 20 -7.639 2.369 4.301 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.383 4.709 3.494 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.887 2.599 1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.276 4.205 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.813 3.699 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.123 5.295 1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.212 4.367 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.054 5.461 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.273 3.984 3.113 1.00 0.00 H new ATOM 317 N PHE A 21 -11.308 3.134 3.731 1.00 0.00 N ATOM 318 CA PHE A 21 -12.508 2.250 3.633 1.00 0.00 C ATOM 319 C PHE A 21 -13.189 2.442 2.275 1.00 0.00 C ATOM 320 O PHE A 21 -14.385 2.643 2.194 1.00 0.00 O ATOM 321 CB PHE A 21 -13.429 2.706 4.766 1.00 0.00 C ATOM 322 CG PHE A 21 -13.988 1.500 5.483 1.00 0.00 C ATOM 323 CD1 PHE A 21 -14.674 0.513 4.764 1.00 0.00 C ATOM 324 CD2 PHE A 21 -13.822 1.370 6.867 1.00 0.00 C ATOM 325 CE1 PHE A 21 -15.193 -0.604 5.429 1.00 0.00 C ATOM 326 CE2 PHE A 21 -14.341 0.252 7.532 1.00 0.00 C ATOM 327 CZ PHE A 21 -15.027 -0.734 6.814 1.00 0.00 C ATOM 0 H PHE A 21 -11.456 4.013 4.227 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.255 1.193 3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.878 3.334 5.466 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.242 3.312 4.366 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -14.803 0.614 3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.294 2.132 7.422 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.721 -1.365 4.875 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.212 0.151 8.599 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.428 -1.595 7.328 1.00 0.00 H new ATOM 337 N ARG A 22 -12.434 2.376 1.205 1.00 0.00 N ATOM 338 CA ARG A 22 -13.019 2.553 -0.158 1.00 0.00 C ATOM 339 C ARG A 22 -13.901 3.806 -0.217 1.00 0.00 C ATOM 340 O ARG A 22 -14.060 4.522 0.752 1.00 0.00 O ATOM 341 CB ARG A 22 -13.863 1.306 -0.386 1.00 0.00 C ATOM 342 CG ARG A 22 -13.045 0.269 -1.156 1.00 0.00 C ATOM 343 CD ARG A 22 -12.945 0.672 -2.629 1.00 0.00 C ATOM 344 NE ARG A 22 -11.495 0.596 -2.949 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.906 -0.563 -3.079 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.433 -1.180 -2.031 1.00 0.00 N ATOM 347 NH2 ARG A 22 -10.780 -1.099 -4.261 1.00 0.00 N ATOM 0 H ARG A 22 -11.428 2.205 1.220 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.246 2.679 -0.917 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.186 0.893 0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.764 1.561 -0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.048 0.187 -0.724 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.512 -0.712 -1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.525 0.001 -3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.333 1.678 -2.791 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.957 1.454 -3.068 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.523 -0.758 -1.107 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.974 -2.085 -2.136 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.141 -0.614 -5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.320 -2.004 -4.364 1.00 0.00 H new ATOM 361 N LYS A 23 -14.473 4.069 -1.357 1.00 0.00 N ATOM 362 CA LYS A 23 -15.352 5.261 -1.506 1.00 0.00 C ATOM 363 C LYS A 23 -16.558 4.912 -2.383 1.00 0.00 C ATOM 364 O LYS A 23 -17.656 5.377 -2.147 1.00 0.00 O ATOM 365 CB LYS A 23 -14.477 6.315 -2.187 1.00 0.00 C ATOM 366 CG LYS A 23 -15.278 7.605 -2.389 1.00 0.00 C ATOM 367 CD LYS A 23 -14.756 8.338 -3.627 1.00 0.00 C ATOM 368 CE LYS A 23 -15.016 7.487 -4.873 1.00 0.00 C ATOM 369 NZ LYS A 23 -14.941 8.442 -6.014 1.00 0.00 N ATOM 0 H LYS A 23 -14.368 3.504 -2.200 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.742 5.614 -0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.595 6.516 -1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.124 5.941 -3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.336 7.374 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.188 8.243 -1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.249 9.305 -3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.689 8.534 -3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.274 6.695 -4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.992 7.005 -4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.109 7.932 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.663 9.181 -5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.998 8.880 -6.038 1.00 0.00 H new ATOM 383 N SER A 24 -16.363 4.090 -3.391 1.00 0.00 N ATOM 384 CA SER A 24 -17.503 3.701 -4.290 1.00 0.00 C ATOM 385 C SER A 24 -16.987 2.990 -5.545 1.00 0.00 C ATOM 386 O SER A 24 -15.834 2.614 -5.633 1.00 0.00 O ATOM 387 CB SER A 24 -18.191 5.012 -4.684 1.00 0.00 C ATOM 388 OG SER A 24 -19.382 5.164 -3.923 1.00 0.00 O ATOM 0 H SER A 24 -15.464 3.672 -3.630 1.00 0.00 H new ATOM 0 HA SER A 24 -18.184 3.015 -3.786 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.522 5.855 -4.507 1.00 0.00 H new ATOM 0 HB3 SER A 24 -18.424 5.008 -5.749 1.00 0.00 H new ATOM 0 HG SER A 24 -19.177 5.057 -2.971 1.00 0.00 H new ATOM 394 N GLY A 25 -17.841 2.809 -6.521 1.00 0.00 N ATOM 395 CA GLY A 25 -17.421 2.130 -7.780 1.00 0.00 C ATOM 396 C GLY A 25 -17.894 0.677 -7.764 1.00 0.00 C ATOM 397 O GLY A 25 -18.993 0.360 -8.177 1.00 0.00 O ATOM 0 H GLY A 25 -18.817 3.105 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.840 2.649 -8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.336 2.168 -7.881 1.00 0.00 H new ATOM 401 N ALA A 26 -17.064 -0.205 -7.288 1.00 0.00 N ATOM 402 CA ALA A 26 -17.433 -1.651 -7.231 1.00 0.00 C ATOM 403 C ALA A 26 -16.747 -2.292 -6.024 1.00 0.00 C ATOM 404 O ALA A 26 -17.336 -3.050 -5.280 1.00 0.00 O ATOM 405 CB ALA A 26 -16.894 -2.243 -8.533 1.00 0.00 C ATOM 0 H ALA A 26 -16.134 0.014 -6.931 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.505 -1.816 -7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.124 -3.308 -8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.359 -1.741 -9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.814 -2.103 -8.576 1.00 0.00 H new ATOM 411 N THR A 27 -15.503 -1.962 -5.826 1.00 0.00 N ATOM 412 CA THR A 27 -14.734 -2.503 -4.673 1.00 0.00 C ATOM 413 C THR A 27 -15.169 -1.801 -3.377 1.00 0.00 C ATOM 414 O THR A 27 -14.675 -2.098 -2.308 1.00 0.00 O ATOM 415 CB THR A 27 -13.276 -2.163 -5.002 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.161 -0.764 -5.239 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.837 -2.933 -6.251 1.00 0.00 C ATOM 0 H THR A 27 -14.977 -1.328 -6.427 1.00 0.00 H new ATOM 0 HA THR A 27 -14.889 -3.571 -4.523 1.00 0.00 H new ATOM 0 HB THR A 27 -12.639 -2.445 -4.164 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.753 -0.613 -6.117 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.800 -2.690 -6.483 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.926 -4.004 -6.068 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.472 -2.654 -7.092 1.00 0.00 H new ATOM 425 N CYS A 28 -16.079 -0.860 -3.475 1.00 0.00 N ATOM 426 CA CYS A 28 -16.550 -0.110 -2.270 1.00 0.00 C ATOM 427 C CYS A 28 -16.778 -1.039 -1.072 1.00 0.00 C ATOM 428 O CYS A 28 -17.285 -2.135 -1.209 1.00 0.00 O ATOM 429 CB CYS A 28 -17.869 0.538 -2.700 1.00 0.00 C ATOM 430 SG CYS A 28 -19.056 -0.743 -3.186 1.00 0.00 S ATOM 0 H CYS A 28 -16.520 -0.578 -4.351 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.809 0.620 -1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.276 1.132 -1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.695 1.220 -3.533 1.00 0.00 H new ATOM 0 HG CYS A 28 -18.815 -1.833 -2.520 1.00 0.00 H new ATOM 436 N GLY A 29 -16.413 -0.596 0.103 1.00 0.00 N ATOM 437 CA GLY A 29 -16.616 -1.439 1.318 1.00 0.00 C ATOM 438 C GLY A 29 -15.288 -2.055 1.771 1.00 0.00 C ATOM 439 O GLY A 29 -15.163 -2.518 2.888 1.00 0.00 O ATOM 0 H GLY A 29 -15.983 0.313 0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.036 -0.834 2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.336 -2.229 1.104 1.00 0.00 H new ATOM 443 N ARG A 30 -14.299 -2.070 0.918 1.00 0.00 N ATOM 444 CA ARG A 30 -12.985 -2.663 1.308 1.00 0.00 C ATOM 445 C ARG A 30 -12.158 -1.647 2.101 1.00 0.00 C ATOM 446 O ARG A 30 -12.269 -0.452 1.903 1.00 0.00 O ATOM 447 CB ARG A 30 -12.293 -3.005 -0.009 1.00 0.00 C ATOM 448 CG ARG A 30 -12.795 -4.362 -0.504 1.00 0.00 C ATOM 449 CD ARG A 30 -12.107 -4.706 -1.824 1.00 0.00 C ATOM 450 NE ARG A 30 -10.659 -4.810 -1.492 1.00 0.00 N ATOM 451 CZ ARG A 30 -10.211 -5.840 -0.826 1.00 0.00 C ATOM 452 NH1 ARG A 30 -10.635 -7.040 -1.116 1.00 0.00 N ATOM 453 NH2 ARG A 30 -9.338 -5.671 0.128 1.00 0.00 N ATOM 0 H ARG A 30 -14.343 -1.698 -0.031 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.104 -3.540 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.499 -2.235 -0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.212 -3.033 0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.587 -5.132 0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.876 -4.335 -0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.486 -5.643 -2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.285 -3.935 -2.574 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.016 -4.075 -1.786 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.317 -7.173 -1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.285 -7.844 -0.596 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.005 -4.734 0.354 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.988 -6.476 0.648 1.00 0.00 H new ATOM 467 N SER A 31 -11.329 -2.114 2.997 1.00 0.00 N ATOM 468 CA SER A 31 -10.493 -1.178 3.802 1.00 0.00 C ATOM 469 C SER A 31 -9.013 -1.355 3.451 1.00 0.00 C ATOM 470 O SER A 31 -8.374 -2.298 3.874 1.00 0.00 O ATOM 471 CB SER A 31 -10.753 -1.566 5.256 1.00 0.00 C ATOM 472 OG SER A 31 -10.563 -2.966 5.410 1.00 0.00 O ATOM 0 H SER A 31 -11.195 -3.103 3.206 1.00 0.00 H new ATOM 0 HA SER A 31 -10.740 -0.134 3.610 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.078 -1.021 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.769 -1.292 5.542 1.00 0.00 H new ATOM 0 HG SER A 31 -9.748 -3.239 4.939 1.00 0.00 H new ATOM 478 N ASP A 32 -8.467 -0.452 2.682 1.00 0.00 N ATOM 479 CA ASP A 32 -7.031 -0.560 2.300 1.00 0.00 C ATOM 480 C ASP A 32 -6.185 0.364 3.175 1.00 0.00 C ATOM 481 O ASP A 32 -6.422 1.553 3.252 1.00 0.00 O ATOM 482 CB ASP A 32 -6.976 -0.120 0.837 1.00 0.00 C ATOM 483 CG ASP A 32 -7.656 -1.171 -0.044 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.777 -2.302 0.397 1.00 0.00 O ATOM 485 OD2 ASP A 32 -8.042 -0.826 -1.149 1.00 0.00 O ATOM 0 H ASP A 32 -8.956 0.358 2.301 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.640 -1.569 2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.471 0.844 0.718 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.940 0.014 0.526 1.00 0.00 H new ATOM 490 N THR A 33 -5.198 -0.177 3.836 1.00 0.00 N ATOM 491 CA THR A 33 -4.336 0.666 4.710 1.00 0.00 C ATOM 492 C THR A 33 -3.039 1.024 3.980 1.00 0.00 C ATOM 493 O THR A 33 -2.211 0.176 3.714 1.00 0.00 O ATOM 494 CB THR A 33 -4.048 -0.206 5.935 1.00 0.00 C ATOM 495 OG1 THR A 33 -5.273 -0.543 6.570 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.159 0.561 6.916 1.00 0.00 C ATOM 0 H THR A 33 -4.952 -1.166 3.808 1.00 0.00 H new ATOM 0 HA THR A 33 -4.812 1.607 4.985 1.00 0.00 H new ATOM 0 HB THR A 33 -3.536 -1.115 5.621 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.092 -1.103 7.354 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.956 -0.062 7.787 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.219 0.821 6.429 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.668 1.472 7.232 1.00 0.00 H new ATOM 504 N TYR A 34 -2.862 2.276 3.655 1.00 0.00 N ATOM 505 CA TYR A 34 -1.622 2.698 2.943 1.00 0.00 C ATOM 506 C TYR A 34 -0.644 3.324 3.938 1.00 0.00 C ATOM 507 O TYR A 34 -1.042 3.886 4.939 1.00 0.00 O ATOM 508 CB TYR A 34 -2.085 3.736 1.924 1.00 0.00 C ATOM 509 CG TYR A 34 -2.899 3.060 0.848 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.270 2.850 1.032 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.280 2.646 -0.336 1.00 0.00 C ATOM 512 CE1 TYR A 34 -5.022 2.228 0.031 1.00 0.00 C ATOM 513 CE2 TYR A 34 -3.032 2.024 -1.337 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.404 1.816 -1.155 1.00 0.00 C ATOM 515 OH TYR A 34 -5.147 1.203 -2.144 1.00 0.00 O ATOM 0 H TYR A 34 -3.524 3.026 3.852 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.109 1.863 2.466 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.681 4.504 2.417 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.223 4.236 1.482 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.747 3.168 1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.221 2.807 -0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.080 2.065 0.173 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.554 1.704 -2.251 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.565 0.982 -2.901 1.00 0.00 H new ATOM 525 N TYR A 35 0.632 3.236 3.674 1.00 0.00 N ATOM 526 CA TYR A 35 1.625 3.833 4.615 1.00 0.00 C ATOM 527 C TYR A 35 2.758 4.505 3.835 1.00 0.00 C ATOM 528 O TYR A 35 3.060 4.139 2.715 1.00 0.00 O ATOM 529 CB TYR A 35 2.182 2.674 5.462 1.00 0.00 C ATOM 530 CG TYR A 35 1.422 1.391 5.198 1.00 0.00 C ATOM 531 CD1 TYR A 35 1.681 0.650 4.038 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.466 0.943 6.115 1.00 0.00 C ATOM 533 CE1 TYR A 35 0.983 -0.538 3.797 1.00 0.00 C ATOM 534 CE2 TYR A 35 -0.233 -0.246 5.873 1.00 0.00 C ATOM 535 CZ TYR A 35 0.026 -0.988 4.714 1.00 0.00 C ATOM 536 OH TYR A 35 -0.663 -2.159 4.475 1.00 0.00 O ATOM 0 H TYR A 35 1.029 2.779 2.853 1.00 0.00 H new ATOM 0 HA TYR A 35 1.160 4.593 5.243 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.238 2.528 5.234 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.116 2.928 6.520 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.419 0.996 3.330 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.267 1.514 7.010 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.183 -1.109 2.902 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.972 -0.591 6.581 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.495 -2.456 3.556 1.00 0.00 H new ATOM 546 N GLN A 36 3.392 5.479 4.428 1.00 0.00 N ATOM 547 CA GLN A 36 4.516 6.173 3.739 1.00 0.00 C ATOM 548 C GLN A 36 5.813 5.917 4.505 1.00 0.00 C ATOM 549 O GLN A 36 5.806 5.739 5.710 1.00 0.00 O ATOM 550 CB GLN A 36 4.152 7.659 3.775 1.00 0.00 C ATOM 551 CG GLN A 36 5.260 8.480 3.105 1.00 0.00 C ATOM 552 CD GLN A 36 4.836 9.949 3.025 1.00 0.00 C ATOM 553 OE1 GLN A 36 3.815 10.331 3.563 1.00 0.00 O ATOM 554 NE2 GLN A 36 5.584 10.795 2.372 1.00 0.00 N ATOM 0 H GLN A 36 3.179 5.825 5.364 1.00 0.00 H new ATOM 0 HA GLN A 36 4.664 5.824 2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.204 7.823 3.263 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.018 7.985 4.806 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.187 8.389 3.672 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.459 8.094 2.105 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.441 10.475 1.920 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.312 11.776 2.313 1.00 0.00 H new ATOM 563 N SER A 37 6.926 5.895 3.820 1.00 0.00 N ATOM 564 CA SER A 37 8.225 5.649 4.514 1.00 0.00 C ATOM 565 C SER A 37 8.416 6.667 5.645 1.00 0.00 C ATOM 566 O SER A 37 7.538 7.467 5.902 1.00 0.00 O ATOM 567 CB SER A 37 9.282 5.808 3.429 1.00 0.00 C ATOM 568 OG SER A 37 8.864 5.084 2.280 1.00 0.00 O ATOM 0 H SER A 37 6.992 6.036 2.812 1.00 0.00 H new ATOM 0 HA SER A 37 8.279 4.664 4.978 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.417 6.861 3.184 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.244 5.437 3.781 1.00 0.00 H new ATOM 0 HG SER A 37 9.600 4.520 1.963 1.00 0.00 H new ATOM 574 N PRO A 38 9.536 6.589 6.317 1.00 0.00 N ATOM 575 CA PRO A 38 9.781 7.494 7.450 1.00 0.00 C ATOM 576 C PRO A 38 10.379 8.835 7.021 1.00 0.00 C ATOM 577 O PRO A 38 10.670 9.665 7.862 1.00 0.00 O ATOM 578 CB PRO A 38 10.768 6.720 8.310 1.00 0.00 C ATOM 579 CG PRO A 38 11.475 5.784 7.377 1.00 0.00 C ATOM 580 CD PRO A 38 10.661 5.676 6.106 1.00 0.00 C ATOM 0 HA PRO A 38 8.856 7.756 7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.473 7.393 8.798 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.253 6.171 9.099 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.477 6.153 7.156 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.591 4.803 7.838 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.247 5.963 5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.318 4.655 5.939 1.00 0.00 H new ATOM 588 N THR A 39 10.582 9.080 5.751 1.00 0.00 N ATOM 589 CA THR A 39 11.178 10.400 5.386 1.00 0.00 C ATOM 590 C THR A 39 11.088 10.723 3.885 1.00 0.00 C ATOM 591 O THR A 39 11.760 11.619 3.414 1.00 0.00 O ATOM 592 CB THR A 39 12.633 10.291 5.841 1.00 0.00 C ATOM 593 OG1 THR A 39 13.285 11.538 5.647 1.00 0.00 O ATOM 594 CG2 THR A 39 13.348 9.205 5.034 1.00 0.00 C ATOM 0 H THR A 39 10.370 8.450 4.977 1.00 0.00 H new ATOM 0 HA THR A 39 10.636 11.217 5.862 1.00 0.00 H new ATOM 0 HB THR A 39 12.661 10.028 6.898 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.940 11.965 4.835 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.385 9.131 5.362 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.849 8.248 5.189 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.320 9.461 3.975 1.00 0.00 H new ATOM 602 N GLY A 40 10.255 10.051 3.129 1.00 0.00 N ATOM 603 CA GLY A 40 10.152 10.412 1.680 1.00 0.00 C ATOM 604 C GLY A 40 10.079 9.175 0.779 1.00 0.00 C ATOM 605 O GLY A 40 11.065 8.754 0.209 1.00 0.00 O ATOM 0 H GLY A 40 9.656 9.287 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.266 11.027 1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.014 11.016 1.396 1.00 0.00 H new ATOM 609 N ASP A 41 8.903 8.625 0.618 1.00 0.00 N ATOM 610 CA ASP A 41 8.707 7.437 -0.276 1.00 0.00 C ATOM 611 C ASP A 41 7.304 6.866 -0.044 1.00 0.00 C ATOM 612 O ASP A 41 6.950 6.497 1.059 1.00 0.00 O ATOM 613 CB ASP A 41 9.795 6.417 0.096 1.00 0.00 C ATOM 614 CG ASP A 41 9.406 5.028 -0.426 1.00 0.00 C ATOM 615 OD1 ASP A 41 8.777 4.966 -1.470 1.00 0.00 O ATOM 616 OD2 ASP A 41 9.740 4.054 0.225 1.00 0.00 O ATOM 0 H ASP A 41 8.053 8.953 1.076 1.00 0.00 H new ATOM 0 HA ASP A 41 8.789 7.697 -1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.752 6.721 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.923 6.386 1.178 1.00 0.00 H new ATOM 621 N ARG A 42 6.500 6.809 -1.071 1.00 0.00 N ATOM 622 CA ARG A 42 5.113 6.283 -0.910 1.00 0.00 C ATOM 623 C ARG A 42 5.109 4.752 -0.890 1.00 0.00 C ATOM 624 O ARG A 42 5.787 4.105 -1.663 1.00 0.00 O ATOM 625 CB ARG A 42 4.347 6.806 -2.128 1.00 0.00 C ATOM 626 CG ARG A 42 3.025 7.431 -1.675 1.00 0.00 C ATOM 627 CD ARG A 42 3.313 8.678 -0.834 1.00 0.00 C ATOM 628 NE ARG A 42 3.169 9.821 -1.778 1.00 0.00 N ATOM 629 CZ ARG A 42 2.074 10.531 -1.778 1.00 0.00 C ATOM 630 NH1 ARG A 42 1.689 11.136 -0.688 1.00 0.00 N ATOM 631 NH2 ARG A 42 1.366 10.636 -2.869 1.00 0.00 N ATOM 0 H ARG A 42 6.744 7.104 -2.016 1.00 0.00 H new ATOM 0 HA ARG A 42 4.663 6.605 0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.948 7.545 -2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.155 5.992 -2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.419 7.696 -2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.450 6.711 -1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.614 8.763 -0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.315 8.643 -0.406 1.00 0.00 H new ATOM 0 HE ARG A 42 3.925 10.049 -2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.244 11.054 0.164 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.833 11.691 -0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.669 10.163 -3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.510 11.191 -2.870 1.00 0.00 H new ATOM 645 N ILE A 43 4.336 4.173 -0.009 1.00 0.00 N ATOM 646 CA ILE A 43 4.261 2.687 0.075 1.00 0.00 C ATOM 647 C ILE A 43 2.797 2.265 0.225 1.00 0.00 C ATOM 648 O ILE A 43 2.000 2.966 0.820 1.00 0.00 O ATOM 649 CB ILE A 43 5.090 2.325 1.313 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.575 2.450 0.966 1.00 0.00 C ATOM 651 CG2 ILE A 43 4.790 0.888 1.760 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.409 2.338 2.240 1.00 0.00 C ATOM 0 H ILE A 43 3.749 4.671 0.660 1.00 0.00 H new ATOM 0 HA ILE A 43 4.642 2.180 -0.811 1.00 0.00 H new ATOM 0 HB ILE A 43 4.833 3.003 2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.861 1.669 0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.766 3.405 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.387 0.648 2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.732 0.796 2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.038 0.197 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.467 2.427 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.130 3.135 2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.227 1.372 2.710 1.00 0.00 H new ATOM 664 N ARG A 44 2.426 1.140 -0.328 1.00 0.00 N ATOM 665 CA ARG A 44 1.001 0.704 -0.229 1.00 0.00 C ATOM 666 C ARG A 44 0.894 -0.760 0.209 1.00 0.00 C ATOM 667 O ARG A 44 -0.191 -1.299 0.309 1.00 0.00 O ATOM 668 CB ARG A 44 0.435 0.874 -1.642 1.00 0.00 C ATOM 669 CG ARG A 44 0.884 2.213 -2.230 1.00 0.00 C ATOM 670 CD ARG A 44 -0.088 2.645 -3.329 1.00 0.00 C ATOM 671 NE ARG A 44 -0.509 4.020 -2.947 1.00 0.00 N ATOM 672 CZ ARG A 44 0.069 5.054 -3.492 1.00 0.00 C ATOM 673 NH1 ARG A 44 1.366 5.184 -3.430 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.649 5.958 -4.100 1.00 0.00 N ATOM 0 H ARG A 44 3.042 0.509 -0.840 1.00 0.00 H new ATOM 0 HA ARG A 44 0.457 1.288 0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.773 0.057 -2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.654 0.827 -1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.923 2.970 -1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.891 2.123 -2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.392 2.636 -4.307 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.943 1.972 -3.388 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.250 4.154 -2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.927 4.477 -2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.818 5.993 -3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.663 5.856 -4.149 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.197 6.767 -4.526 1.00 0.00 H new ATOM 688 N SER A 45 1.996 -1.417 0.467 1.00 0.00 N ATOM 689 CA SER A 45 1.918 -2.846 0.890 1.00 0.00 C ATOM 690 C SER A 45 3.219 -3.275 1.573 1.00 0.00 C ATOM 691 O SER A 45 4.033 -2.452 1.946 1.00 0.00 O ATOM 692 CB SER A 45 1.698 -3.620 -0.408 1.00 0.00 C ATOM 693 OG SER A 45 0.327 -3.542 -0.773 1.00 0.00 O ATOM 0 H SER A 45 2.937 -1.030 0.404 1.00 0.00 H new ATOM 0 HA SER A 45 1.121 -3.025 1.612 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.322 -3.208 -1.201 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.993 -4.661 -0.279 1.00 0.00 H new ATOM 0 HG SER A 45 -0.057 -2.709 -0.427 1.00 0.00 H new ATOM 699 N LYS A 46 3.422 -4.555 1.747 1.00 0.00 N ATOM 700 CA LYS A 46 4.671 -5.027 2.412 1.00 0.00 C ATOM 701 C LYS A 46 5.850 -4.910 1.449 1.00 0.00 C ATOM 702 O LYS A 46 6.895 -4.400 1.801 1.00 0.00 O ATOM 703 CB LYS A 46 4.416 -6.488 2.772 1.00 0.00 C ATOM 704 CG LYS A 46 5.197 -6.839 4.039 1.00 0.00 C ATOM 705 CD LYS A 46 4.808 -8.242 4.504 1.00 0.00 C ATOM 706 CE LYS A 46 5.805 -9.254 3.940 1.00 0.00 C ATOM 707 NZ LYS A 46 5.127 -10.574 4.071 1.00 0.00 N ATOM 0 H LYS A 46 2.778 -5.292 1.458 1.00 0.00 H new ATOM 0 HA LYS A 46 4.915 -4.435 3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.350 -6.655 2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.722 -7.136 1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.268 -6.793 3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.985 -6.112 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.802 -8.288 5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.799 -8.482 4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.045 -9.035 2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.743 -9.235 4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.824 -11.336 3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.693 -10.649 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.390 -10.659 3.343 1.00 0.00 H new ATOM 721 N VAL A 47 5.689 -5.366 0.231 1.00 0.00 N ATOM 722 CA VAL A 47 6.805 -5.260 -0.751 1.00 0.00 C ATOM 723 C VAL A 47 7.281 -3.805 -0.808 1.00 0.00 C ATOM 724 O VAL A 47 8.449 -3.526 -0.636 1.00 0.00 O ATOM 725 CB VAL A 47 6.195 -5.712 -2.078 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.976 -5.120 -3.254 1.00 0.00 C ATOM 727 CG2 VAL A 47 6.239 -7.239 -2.161 1.00 0.00 C ATOM 0 H VAL A 47 4.838 -5.804 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 47 7.674 -5.866 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 47 5.163 -5.365 -2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.529 -5.451 -4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.944 -4.032 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.012 -5.455 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.805 -7.565 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.274 -7.577 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.670 -7.665 -1.334 1.00 0.00 H new ATOM 737 N GLU A 48 6.377 -2.874 -1.013 1.00 0.00 N ATOM 738 CA GLU A 48 6.781 -1.435 -1.040 1.00 0.00 C ATOM 739 C GLU A 48 7.577 -1.130 0.231 1.00 0.00 C ATOM 740 O GLU A 48 8.583 -0.442 0.213 1.00 0.00 O ATOM 741 CB GLU A 48 5.472 -0.644 -1.060 1.00 0.00 C ATOM 742 CG GLU A 48 5.172 -0.185 -2.488 1.00 0.00 C ATOM 743 CD GLU A 48 6.144 0.929 -2.883 1.00 0.00 C ATOM 744 OE1 GLU A 48 6.519 1.698 -2.013 1.00 0.00 O ATOM 745 OE2 GLU A 48 6.494 0.996 -4.050 1.00 0.00 O ATOM 0 H GLU A 48 5.383 -3.049 -1.162 1.00 0.00 H new ATOM 0 HA GLU A 48 7.403 -1.182 -1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.656 -1.263 -0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.546 0.219 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.265 -1.024 -3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.145 0.173 -2.558 1.00 0.00 H new ATOM 752 N LEU A 49 7.137 -1.681 1.331 1.00 0.00 N ATOM 753 CA LEU A 49 7.859 -1.480 2.616 1.00 0.00 C ATOM 754 C LEU A 49 9.239 -2.122 2.503 1.00 0.00 C ATOM 755 O LEU A 49 10.232 -1.585 2.951 1.00 0.00 O ATOM 756 CB LEU A 49 7.008 -2.213 3.658 1.00 0.00 C ATOM 757 CG LEU A 49 7.106 -1.500 5.005 1.00 0.00 C ATOM 758 CD1 LEU A 49 6.141 -0.315 5.024 1.00 0.00 C ATOM 759 CD2 LEU A 49 6.736 -2.476 6.128 1.00 0.00 C ATOM 0 H LEU A 49 6.303 -2.265 1.392 1.00 0.00 H new ATOM 0 HA LEU A 49 7.998 -0.431 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.969 -2.249 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.347 -3.244 3.757 1.00 0.00 H new ATOM 0 HG LEU A 49 8.125 -1.143 5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.210 0.195 5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.402 0.379 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.122 -0.673 4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.806 -1.968 7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.717 -2.832 5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.422 -3.323 6.115 1.00 0.00 H new ATOM 771 N THR A 50 9.295 -3.270 1.886 1.00 0.00 N ATOM 772 CA THR A 50 10.594 -3.971 1.709 1.00 0.00 C ATOM 773 C THR A 50 11.489 -3.174 0.753 1.00 0.00 C ATOM 774 O THR A 50 12.697 -3.305 0.766 1.00 0.00 O ATOM 775 CB THR A 50 10.222 -5.331 1.108 1.00 0.00 C ATOM 776 OG1 THR A 50 9.395 -6.037 2.023 1.00 0.00 O ATOM 777 CG2 THR A 50 11.489 -6.143 0.837 1.00 0.00 C ATOM 0 H THR A 50 8.488 -3.755 1.494 1.00 0.00 H new ATOM 0 HA THR A 50 11.148 -4.079 2.641 1.00 0.00 H new ATOM 0 HB THR A 50 9.688 -5.178 0.170 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.487 -5.669 1.994 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.218 -7.109 0.410 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.125 -5.602 0.136 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.029 -6.298 1.771 1.00 0.00 H new ATOM 785 N ARG A 51 10.905 -2.345 -0.075 1.00 0.00 N ATOM 786 CA ARG A 51 11.726 -1.539 -1.027 1.00 0.00 C ATOM 787 C ARG A 51 12.548 -0.505 -0.257 1.00 0.00 C ATOM 788 O ARG A 51 13.762 -0.486 -0.326 1.00 0.00 O ATOM 789 CB ARG A 51 10.724 -0.839 -1.946 1.00 0.00 C ATOM 790 CG ARG A 51 9.849 -1.881 -2.640 1.00 0.00 C ATOM 791 CD ARG A 51 9.414 -1.356 -4.010 1.00 0.00 C ATOM 792 NE ARG A 51 10.445 -1.859 -4.959 1.00 0.00 N ATOM 793 CZ ARG A 51 10.093 -2.602 -5.972 1.00 0.00 C ATOM 794 NH1 ARG A 51 9.264 -3.594 -5.795 1.00 0.00 N ATOM 795 NH2 ARG A 51 10.569 -2.354 -7.161 1.00 0.00 N ATOM 0 H ARG A 51 9.898 -2.192 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 51 12.423 -2.159 -1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.103 -0.154 -1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.253 -0.241 -2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.400 -2.815 -2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.974 -2.101 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.422 -1.720 -4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.367 -0.267 -4.019 1.00 0.00 H new ATOM 0 HE ARG A 51 11.427 -1.623 -4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.892 -3.788 -4.865 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.988 -4.175 -6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.217 -1.579 -7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.293 -2.936 -7.952 1.00 0.00 H new ATOM 809 N TYR A 52 11.895 0.357 0.482 1.00 0.00 N ATOM 810 CA TYR A 52 12.646 1.389 1.261 1.00 0.00 C ATOM 811 C TYR A 52 13.635 0.710 2.211 1.00 0.00 C ATOM 812 O TYR A 52 14.676 1.249 2.531 1.00 0.00 O ATOM 813 CB TYR A 52 11.583 2.154 2.054 1.00 0.00 C ATOM 814 CG TYR A 52 12.223 3.330 2.760 1.00 0.00 C ATOM 815 CD1 TYR A 52 13.062 3.114 3.861 1.00 0.00 C ATOM 816 CD2 TYR A 52 11.976 4.637 2.316 1.00 0.00 C ATOM 817 CE1 TYR A 52 13.652 4.202 4.515 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.567 5.722 2.970 1.00 0.00 C ATOM 819 CZ TYR A 52 13.406 5.506 4.070 1.00 0.00 C ATOM 820 OH TYR A 52 13.990 6.576 4.715 1.00 0.00 O ATOM 0 H TYR A 52 10.880 0.391 0.579 1.00 0.00 H new ATOM 0 HA TYR A 52 13.221 2.052 0.615 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.797 2.503 1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.112 1.493 2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 52 13.254 2.108 4.205 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.329 4.806 1.468 1.00 0.00 H new ATOM 0 HE1 TYR A 52 14.298 4.035 5.364 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.376 6.728 2.626 1.00 0.00 H new ATOM 0 HH TYR A 52 14.672 6.975 4.135 1.00 0.00 H new ATOM 830 N LEU A 53 13.313 -0.473 2.664 1.00 0.00 N ATOM 831 CA LEU A 53 14.228 -1.196 3.595 1.00 0.00 C ATOM 832 C LEU A 53 15.286 -1.977 2.807 1.00 0.00 C ATOM 833 O LEU A 53 16.277 -2.417 3.356 1.00 0.00 O ATOM 834 CB LEU A 53 13.322 -2.151 4.372 1.00 0.00 C ATOM 835 CG LEU A 53 12.291 -1.344 5.165 1.00 0.00 C ATOM 836 CD1 LEU A 53 11.085 -2.230 5.490 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.926 -0.846 6.465 1.00 0.00 C ATOM 0 H LEU A 53 12.454 -0.970 2.429 1.00 0.00 H new ATOM 0 HA LEU A 53 14.768 -0.516 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.818 -2.831 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.917 -2.765 5.048 1.00 0.00 H new ATOM 0 HG LEU A 53 11.962 -0.491 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.352 -1.654 6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.633 -2.584 4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.411 -3.084 6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.193 -0.271 7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.255 -1.699 7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.782 -0.213 6.232 1.00 0.00 H new ATOM 849 N GLY A 54 15.086 -2.154 1.527 1.00 0.00 N ATOM 850 CA GLY A 54 16.081 -2.906 0.712 1.00 0.00 C ATOM 851 C GLY A 54 15.498 -4.268 0.326 1.00 0.00 C ATOM 852 O GLY A 54 14.649 -4.794 1.015 1.00 0.00 O ATOM 0 H GLY A 54 14.276 -1.809 1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.336 -2.340 -0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.003 -3.040 1.277 1.00 0.00 H new ATOM 856 N PRO A 55 15.977 -4.799 -0.771 1.00 0.00 N ATOM 857 CA PRO A 55 15.490 -6.117 -1.249 1.00 0.00 C ATOM 858 C PRO A 55 15.992 -7.239 -0.334 1.00 0.00 C ATOM 859 O PRO A 55 15.494 -8.347 -0.368 1.00 0.00 O ATOM 860 CB PRO A 55 16.090 -6.236 -2.647 1.00 0.00 C ATOM 861 CG PRO A 55 17.295 -5.352 -2.626 1.00 0.00 C ATOM 862 CD PRO A 55 17.003 -4.236 -1.658 1.00 0.00 C ATOM 0 HA PRO A 55 14.403 -6.198 -1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 55 16.361 -7.267 -2.874 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.380 -5.917 -3.410 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.178 -5.911 -2.316 1.00 0.00 H new ATOM 0 HG3 PRO A 55 17.501 -4.956 -3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 55 17.895 -3.944 -1.103 1.00 0.00 H new ATOM 0 HD3 PRO A 55 16.642 -3.345 -2.172 1.00 0.00 H new ATOM 870 N ALA A 56 16.970 -6.960 0.487 1.00 0.00 N ATOM 871 CA ALA A 56 17.497 -8.009 1.406 1.00 0.00 C ATOM 872 C ALA A 56 16.720 -7.994 2.728 1.00 0.00 C ATOM 873 O ALA A 56 16.760 -8.940 3.490 1.00 0.00 O ATOM 874 CB ALA A 56 18.961 -7.632 1.639 1.00 0.00 C ATOM 0 H ALA A 56 17.426 -6.051 0.560 1.00 0.00 H new ATOM 0 HA ALA A 56 17.396 -9.012 0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.422 -8.359 2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.492 -7.628 0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.014 -6.640 2.088 1.00 0.00 H new ATOM 880 N CYS A 57 16.014 -6.927 3.005 1.00 0.00 N ATOM 881 CA CYS A 57 15.237 -6.854 4.276 1.00 0.00 C ATOM 882 C CYS A 57 13.824 -7.407 4.063 1.00 0.00 C ATOM 883 O CYS A 57 13.077 -6.921 3.237 1.00 0.00 O ATOM 884 CB CYS A 57 15.185 -5.365 4.625 1.00 0.00 C ATOM 885 SG CYS A 57 16.639 -4.925 5.608 1.00 0.00 S ATOM 0 H CYS A 57 15.943 -6.105 2.406 1.00 0.00 H new ATOM 0 HA CYS A 57 15.692 -7.442 5.073 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.155 -4.768 3.714 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.275 -5.143 5.182 1.00 0.00 H new ATOM 0 HG CYS A 57 16.597 -3.660 5.903 1.00 0.00 H new ATOM 891 N ASP A 58 13.454 -8.418 4.802 1.00 0.00 N ATOM 892 CA ASP A 58 12.091 -9.003 4.642 1.00 0.00 C ATOM 893 C ASP A 58 11.190 -8.570 5.802 1.00 0.00 C ATOM 894 O ASP A 58 11.661 -8.164 6.846 1.00 0.00 O ATOM 895 CB ASP A 58 12.299 -10.517 4.670 1.00 0.00 C ATOM 896 CG ASP A 58 12.219 -11.071 3.245 1.00 0.00 C ATOM 897 OD1 ASP A 58 13.230 -11.051 2.563 1.00 0.00 O ATOM 898 OD2 ASP A 58 11.145 -11.507 2.860 1.00 0.00 O ATOM 0 H ASP A 58 14.037 -8.865 5.510 1.00 0.00 H new ATOM 0 HA ASP A 58 11.610 -8.674 3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.268 -10.753 5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.542 -10.987 5.297 1.00 0.00 H new ATOM 903 N LEU A 59 9.898 -8.656 5.625 1.00 0.00 N ATOM 904 CA LEU A 59 8.967 -8.252 6.718 1.00 0.00 C ATOM 905 C LEU A 59 7.801 -9.240 6.805 1.00 0.00 C ATOM 906 O LEU A 59 6.648 -8.863 6.730 1.00 0.00 O ATOM 907 CB LEU A 59 8.459 -6.861 6.325 1.00 0.00 C ATOM 908 CG LEU A 59 9.640 -5.902 6.146 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.123 -4.538 5.681 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.383 -5.742 7.480 1.00 0.00 C ATOM 0 H LEU A 59 9.448 -8.988 4.772 1.00 0.00 H new ATOM 0 HA LEU A 59 9.457 -8.243 7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.886 -6.922 5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.785 -6.481 7.092 1.00 0.00 H new ATOM 0 HG LEU A 59 10.324 -6.306 5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.963 -3.855 5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.600 -4.652 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.438 -4.135 6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.223 -5.059 7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.702 -5.340 8.230 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.753 -6.713 7.809 1.00 0.00 H new ATOM 922 N THR A 60 8.095 -10.502 6.960 1.00 0.00 N ATOM 923 CA THR A 60 7.004 -11.518 7.049 1.00 0.00 C ATOM 924 C THR A 60 6.220 -11.353 8.356 1.00 0.00 C ATOM 925 O THR A 60 5.165 -11.930 8.531 1.00 0.00 O ATOM 926 CB THR A 60 7.714 -12.876 7.022 1.00 0.00 C ATOM 927 OG1 THR A 60 8.936 -12.761 6.304 1.00 0.00 O ATOM 928 CG2 THR A 60 6.816 -13.905 6.336 1.00 0.00 C ATOM 0 H THR A 60 9.042 -10.875 7.029 1.00 0.00 H new ATOM 0 HA THR A 60 6.287 -11.415 6.234 1.00 0.00 H new ATOM 0 HB THR A 60 7.923 -13.196 8.043 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.682 -12.693 6.936 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.320 -14.871 6.316 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.880 -13.995 6.886 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.608 -13.583 5.316 1.00 0.00 H new ATOM 936 N LEU A 61 6.724 -10.572 9.277 1.00 0.00 N ATOM 937 CA LEU A 61 6.006 -10.377 10.570 1.00 0.00 C ATOM 938 C LEU A 61 5.157 -9.101 10.529 1.00 0.00 C ATOM 939 O LEU A 61 4.195 -8.964 11.259 1.00 0.00 O ATOM 940 CB LEU A 61 7.112 -10.253 11.619 1.00 0.00 C ATOM 941 CG LEU A 61 7.837 -11.593 11.754 1.00 0.00 C ATOM 942 CD1 LEU A 61 9.308 -11.347 12.089 1.00 0.00 C ATOM 943 CD2 LEU A 61 7.189 -12.411 12.874 1.00 0.00 C ATOM 0 H LEU A 61 7.602 -10.061 9.188 1.00 0.00 H new ATOM 0 HA LEU A 61 5.323 -11.198 10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.817 -9.473 11.330 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.687 -9.959 12.579 1.00 0.00 H new ATOM 0 HG LEU A 61 7.766 -12.141 10.814 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.824 -12.302 12.185 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.770 -10.764 11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.381 -10.799 13.029 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.704 -13.366 12.972 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.260 -11.862 13.813 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.140 -12.587 12.636 1.00 0.00 H new ATOM 955 N PHE A 62 5.504 -8.167 9.683 1.00 0.00 N ATOM 956 CA PHE A 62 4.714 -6.901 9.599 1.00 0.00 C ATOM 957 C PHE A 62 3.257 -7.210 9.236 1.00 0.00 C ATOM 958 O PHE A 62 2.976 -8.117 8.476 1.00 0.00 O ATOM 959 CB PHE A 62 5.388 -6.082 8.492 1.00 0.00 C ATOM 960 CG PHE A 62 4.515 -4.905 8.114 1.00 0.00 C ATOM 961 CD1 PHE A 62 4.497 -3.755 8.914 1.00 0.00 C ATOM 962 CD2 PHE A 62 3.722 -4.967 6.961 1.00 0.00 C ATOM 963 CE1 PHE A 62 3.688 -2.668 8.559 1.00 0.00 C ATOM 964 CE2 PHE A 62 2.914 -3.881 6.607 1.00 0.00 C ATOM 965 CZ PHE A 62 2.896 -2.731 7.405 1.00 0.00 C ATOM 0 H PHE A 62 6.299 -8.225 9.047 1.00 0.00 H new ATOM 0 HA PHE A 62 4.695 -6.361 10.546 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.362 -5.729 8.831 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.563 -6.710 7.619 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.107 -3.707 9.804 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.734 -5.854 6.345 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.675 -1.781 9.175 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.304 -3.930 5.717 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.272 -1.893 7.131 1.00 0.00 H new ATOM 975 N ASP A 63 2.332 -6.457 9.770 1.00 0.00 N ATOM 976 CA ASP A 63 0.895 -6.701 9.455 1.00 0.00 C ATOM 977 C ASP A 63 0.383 -5.637 8.479 1.00 0.00 C ATOM 978 O ASP A 63 0.240 -4.481 8.825 1.00 0.00 O ATOM 979 CB ASP A 63 0.170 -6.591 10.796 1.00 0.00 C ATOM 980 CG ASP A 63 -0.079 -7.992 11.360 1.00 0.00 C ATOM 981 OD1 ASP A 63 0.805 -8.509 12.022 1.00 0.00 O ATOM 982 OD2 ASP A 63 -1.151 -8.524 11.119 1.00 0.00 O ATOM 0 H ASP A 63 2.510 -5.684 10.411 1.00 0.00 H new ATOM 0 HA ASP A 63 0.733 -7.671 8.984 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.766 -6.006 11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.777 -6.066 10.667 1.00 0.00 H new ATOM 987 N PHE A 64 0.106 -6.022 7.261 1.00 0.00 N ATOM 988 CA PHE A 64 -0.399 -5.038 6.256 1.00 0.00 C ATOM 989 C PHE A 64 -1.663 -4.345 6.781 1.00 0.00 C ATOM 990 O PHE A 64 -2.000 -3.252 6.367 1.00 0.00 O ATOM 991 CB PHE A 64 -0.709 -5.877 5.011 1.00 0.00 C ATOM 992 CG PHE A 64 -1.432 -5.038 3.981 1.00 0.00 C ATOM 993 CD1 PHE A 64 -2.818 -4.857 4.075 1.00 0.00 C ATOM 994 CD2 PHE A 64 -0.720 -4.446 2.931 1.00 0.00 C ATOM 995 CE1 PHE A 64 -3.490 -4.085 3.121 1.00 0.00 C ATOM 996 CE2 PHE A 64 -1.393 -3.674 1.977 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.779 -3.493 2.072 1.00 0.00 C ATOM 0 H PHE A 64 0.208 -6.977 6.917 1.00 0.00 H new ATOM 0 HA PHE A 64 0.322 -4.248 6.044 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.216 -6.268 4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.321 -6.736 5.286 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.368 -5.314 4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.348 -4.585 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.558 -3.946 3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.843 -3.218 1.167 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.298 -2.897 1.336 1.00 0.00 H new ATOM 1007 N LYS A 65 -2.367 -4.973 7.685 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.610 -4.354 8.231 1.00 0.00 C ATOM 1009 C LYS A 65 -3.292 -3.508 9.469 1.00 0.00 C ATOM 1010 O LYS A 65 -3.518 -2.314 9.490 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.508 -5.533 8.602 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.966 -5.179 8.303 1.00 0.00 C ATOM 1013 CD LYS A 65 -6.189 -5.169 6.788 1.00 0.00 C ATOM 1014 CE LYS A 65 -7.440 -4.350 6.459 1.00 0.00 C ATOM 1015 NZ LYS A 65 -8.218 -5.198 5.513 1.00 0.00 N ATOM 0 H LYS A 65 -2.135 -5.889 8.069 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.086 -3.687 7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.215 -6.418 8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.391 -5.775 9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.631 -5.903 8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.208 -4.203 8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.321 -4.743 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.302 -6.189 6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.016 -4.131 7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.178 -3.393 6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.398 -4.666 4.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.676 -6.058 5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.124 -5.463 5.949 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.777 -4.120 10.503 1.00 0.00 N ATOM 1030 CA GLN A 66 -2.454 -3.354 11.744 1.00 0.00 C ATOM 1031 C GLN A 66 -1.320 -2.359 11.482 1.00 0.00 C ATOM 1032 O GLN A 66 -1.437 -1.184 11.773 1.00 0.00 O ATOM 1033 CB GLN A 66 -2.020 -4.408 12.762 1.00 0.00 C ATOM 1034 CG GLN A 66 -3.259 -5.079 13.363 1.00 0.00 C ATOM 1035 CD GLN A 66 -2.917 -6.509 13.789 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -1.793 -6.949 13.642 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -3.847 -7.259 14.315 1.00 0.00 N ATOM 0 H GLN A 66 -2.566 -5.117 10.542 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.305 -2.772 12.098 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.387 -5.154 12.282 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.426 -3.945 13.550 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.613 -4.508 14.222 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.068 -5.091 12.633 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.790 -6.891 14.439 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.631 -8.213 14.602 1.00 0.00 H new ATOM 1046 N GLY A 67 -0.222 -2.816 10.939 1.00 0.00 N ATOM 1047 CA GLY A 67 0.915 -1.893 10.667 1.00 0.00 C ATOM 1048 C GLY A 67 1.951 -2.021 11.786 1.00 0.00 C ATOM 1049 O GLY A 67 2.422 -1.038 12.325 1.00 0.00 O ATOM 0 H GLY A 67 -0.065 -3.788 10.673 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.370 -2.132 9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.557 -0.865 10.604 1.00 0.00 H new ATOM 1053 N ILE A 68 2.305 -3.227 12.138 1.00 0.00 N ATOM 1054 CA ILE A 68 3.311 -3.428 13.223 1.00 0.00 C ATOM 1055 C ILE A 68 4.144 -4.681 12.941 1.00 0.00 C ATOM 1056 O ILE A 68 3.679 -5.620 12.324 1.00 0.00 O ATOM 1057 CB ILE A 68 2.500 -3.597 14.510 1.00 0.00 C ATOM 1058 CG1 ILE A 68 1.310 -4.531 14.256 1.00 0.00 C ATOM 1059 CG2 ILE A 68 1.992 -2.229 14.972 1.00 0.00 C ATOM 1060 CD1 ILE A 68 0.569 -4.791 15.569 1.00 0.00 C ATOM 0 H ILE A 68 1.941 -4.084 11.721 1.00 0.00 H new ATOM 0 HA ILE A 68 4.006 -2.591 13.297 1.00 0.00 H new ATOM 0 HB ILE A 68 3.134 -4.031 15.283 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.633 -4.084 13.528 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.658 -5.472 13.831 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.414 -2.346 15.889 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.840 -1.570 15.159 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.360 -1.795 14.197 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.276 -5.455 15.385 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.248 -5.257 16.284 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.207 -3.847 15.975 1.00 0.00 H new ATOM 1072 N LEU A 69 5.371 -4.701 13.387 1.00 0.00 N ATOM 1073 CA LEU A 69 6.238 -5.891 13.144 1.00 0.00 C ATOM 1074 C LEU A 69 6.219 -6.809 14.369 1.00 0.00 C ATOM 1075 O LEU A 69 7.143 -6.828 15.158 1.00 0.00 O ATOM 1076 CB LEU A 69 7.640 -5.318 12.914 1.00 0.00 C ATOM 1077 CG LEU A 69 7.994 -5.406 11.427 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.294 -4.640 11.160 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.177 -6.873 11.033 1.00 0.00 C ATOM 0 H LEU A 69 5.811 -3.944 13.910 1.00 0.00 H new ATOM 0 HA LEU A 69 5.902 -6.488 12.296 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.679 -4.281 13.246 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.371 -5.870 13.505 1.00 0.00 H new ATOM 0 HG LEU A 69 7.189 -4.967 10.838 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.543 -4.704 10.101 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.164 -3.594 11.439 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.101 -5.075 11.750 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.429 -6.937 9.974 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.981 -7.311 11.624 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.251 -7.418 11.219 1.00 0.00 H new