USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 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 Single : A 8 CYS SG : rot 26:sc= 1.17 USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0.343 (180deg=0.318) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 65:sc= 1.03 USER MOD Single : A 27 THR OG1 : rot -120:sc= -2.08 USER MOD Single : A 28 CYS SG : rot 180:sc= -0.882 USER MOD Single : A 31 SER OG : rot 3:sc= 0.782! USER MOD Single : A 33 THR OG1 : rot -170:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 22:sc= -0.041 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot -155:sc= -2.26! USER MOD Single : A 39 THR OG1 : rot -35:sc= 0.808 USER MOD Single : A 45 SER OG : rot 180:sc= -0.858! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 75:sc= 0.685 USER MOD Single : A 52 TYR OH : rot 95:sc= 0.655 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -4.083 9.588 9.511 1.00 0.00 N ATOM 56 CA TRP A 5 -2.655 9.153 9.505 1.00 0.00 C ATOM 57 C TRP A 5 -2.217 8.752 10.915 1.00 0.00 C ATOM 58 O TRP A 5 -2.134 9.575 11.807 1.00 0.00 O ATOM 59 CB TRP A 5 -1.868 10.374 9.028 1.00 0.00 C ATOM 60 CG TRP A 5 -1.775 10.358 7.536 1.00 0.00 C ATOM 61 CD1 TRP A 5 -2.236 11.332 6.718 1.00 0.00 C ATOM 62 CD2 TRP A 5 -1.194 9.338 6.671 1.00 0.00 C ATOM 63 NE1 TRP A 5 -1.976 10.975 5.407 1.00 0.00 N ATOM 64 CE2 TRP A 5 -1.335 9.754 5.327 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.565 8.105 6.922 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -0.868 8.975 4.267 1.00 0.00 C ATOM 67 CZ3 TRP A 5 -0.094 7.319 5.858 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.245 7.753 4.533 1.00 0.00 C ATOM 0 HA TRP A 5 -2.492 8.287 8.863 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.358 11.289 9.362 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -0.869 10.369 9.465 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.727 12.240 7.036 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.227 11.544 4.598 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.444 7.761 7.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.987 9.314 3.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.388 6.374 6.061 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.120 7.144 3.719 1.00 0.00 H new ATOM 79 N LEU A 6 -1.937 7.493 11.122 1.00 0.00 N ATOM 80 CA LEU A 6 -1.502 7.034 12.473 1.00 0.00 C ATOM 81 C LEU A 6 -0.031 6.610 12.434 1.00 0.00 C ATOM 82 O LEU A 6 0.486 6.228 11.403 1.00 0.00 O ATOM 83 CB LEU A 6 -2.398 5.837 12.792 1.00 0.00 C ATOM 84 CG LEU A 6 -3.856 6.294 12.856 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.772 5.143 12.434 1.00 0.00 C ATOM 86 CD2 LEU A 6 -4.194 6.713 14.289 1.00 0.00 C ATOM 0 H LEU A 6 -1.991 6.762 10.413 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.588 7.818 13.226 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.280 5.067 12.029 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.103 5.392 13.742 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.002 7.139 12.183 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.811 5.469 12.480 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.531 4.841 11.415 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.627 4.297 13.107 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.233 7.039 14.337 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.048 5.866 14.960 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.542 7.532 14.592 1.00 0.00 H new ATOM 98 N ASP A 7 0.647 6.677 13.548 1.00 0.00 N ATOM 99 CA ASP A 7 2.086 6.278 13.575 1.00 0.00 C ATOM 100 C ASP A 7 2.247 4.829 13.109 1.00 0.00 C ATOM 101 O ASP A 7 1.284 4.108 12.945 1.00 0.00 O ATOM 102 CB ASP A 7 2.510 6.419 15.039 1.00 0.00 C ATOM 103 CG ASP A 7 2.676 7.900 15.382 1.00 0.00 C ATOM 104 OD1 ASP A 7 3.304 8.602 14.606 1.00 0.00 O ATOM 105 OD2 ASP A 7 2.174 8.307 16.417 1.00 0.00 O ATOM 0 H ASP A 7 0.268 6.991 14.441 1.00 0.00 H new ATOM 0 HA ASP A 7 2.694 6.893 12.912 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.763 5.966 15.690 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.446 5.888 15.210 1.00 0.00 H new ATOM 110 N CYS A 8 3.463 4.401 12.899 1.00 0.00 N ATOM 111 CA CYS A 8 3.700 3.001 12.448 1.00 0.00 C ATOM 112 C CYS A 8 5.059 2.516 12.965 1.00 0.00 C ATOM 113 O CYS A 8 6.061 2.643 12.292 1.00 0.00 O ATOM 114 CB CYS A 8 3.692 3.070 10.920 1.00 0.00 C ATOM 115 SG CYS A 8 3.880 1.404 10.238 1.00 0.00 S ATOM 0 H CYS A 8 4.305 4.964 13.021 1.00 0.00 H new ATOM 0 HA CYS A 8 2.948 2.306 12.821 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.760 3.514 10.571 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.501 3.711 10.570 1.00 0.00 H new ATOM 0 HG CYS A 8 3.445 0.531 11.098 1.00 0.00 H new ATOM 121 N PRO A 9 5.042 1.976 14.157 1.00 0.00 N ATOM 122 CA PRO A 9 6.289 1.467 14.788 1.00 0.00 C ATOM 123 C PRO A 9 6.785 0.193 14.105 1.00 0.00 C ATOM 124 O PRO A 9 7.835 -0.322 14.433 1.00 0.00 O ATOM 125 CB PRO A 9 5.868 1.158 16.217 1.00 0.00 C ATOM 126 CG PRO A 9 4.392 0.934 16.149 1.00 0.00 C ATOM 127 CD PRO A 9 3.873 1.789 15.024 1.00 0.00 C ATOM 0 HA PRO A 9 7.106 2.185 14.718 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.383 0.276 16.598 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.111 1.983 16.887 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.169 -0.118 15.970 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.916 1.205 17.092 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.056 1.299 14.494 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.490 2.742 15.390 1.00 0.00 H new ATOM 135 N ALA A 10 6.040 -0.331 13.173 1.00 0.00 N ATOM 136 CA ALA A 10 6.482 -1.583 12.496 1.00 0.00 C ATOM 137 C ALA A 10 7.847 -1.388 11.821 1.00 0.00 C ATOM 138 O ALA A 10 8.499 -2.341 11.444 1.00 0.00 O ATOM 139 CB ALA A 10 5.406 -1.876 11.451 1.00 0.00 C ATOM 0 H ALA A 10 5.150 0.050 12.852 1.00 0.00 H new ATOM 0 HA ALA A 10 6.600 -2.403 13.204 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.663 -2.787 10.910 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.444 -2.007 11.946 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.343 -1.043 10.750 1.00 0.00 H new ATOM 145 N LEU A 11 8.283 -0.168 11.659 1.00 0.00 N ATOM 146 CA LEU A 11 9.602 0.071 11.004 1.00 0.00 C ATOM 147 C LEU A 11 10.479 0.965 11.882 1.00 0.00 C ATOM 148 O LEU A 11 11.475 0.531 12.428 1.00 0.00 O ATOM 149 CB LEU A 11 9.270 0.775 9.691 1.00 0.00 C ATOM 150 CG LEU A 11 8.445 -0.158 8.801 1.00 0.00 C ATOM 151 CD1 LEU A 11 6.975 0.265 8.845 1.00 0.00 C ATOM 152 CD2 LEU A 11 8.960 -0.076 7.360 1.00 0.00 C ATOM 0 H LEU A 11 7.784 0.672 11.951 1.00 0.00 H new ATOM 0 HA LEU A 11 10.154 -0.855 10.844 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.714 1.691 9.889 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.188 1.064 9.180 1.00 0.00 H new ATOM 0 HG LEU A 11 8.538 -1.183 9.161 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.386 -0.399 8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.610 0.206 9.870 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.880 1.289 8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.373 -0.740 6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.867 0.948 6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.007 -0.377 7.330 1.00 0.00 H new ATOM 164 N GLY A 12 10.117 2.211 12.020 1.00 0.00 N ATOM 165 CA GLY A 12 10.928 3.139 12.859 1.00 0.00 C ATOM 166 C GLY A 12 10.222 4.495 12.955 1.00 0.00 C ATOM 167 O GLY A 12 9.063 4.613 12.610 1.00 0.00 O ATOM 0 H GLY A 12 9.293 2.628 11.587 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.066 2.718 13.855 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.920 3.264 12.426 1.00 0.00 H new ATOM 171 N PRO A 13 10.947 5.480 13.420 1.00 0.00 N ATOM 172 CA PRO A 13 10.374 6.841 13.560 1.00 0.00 C ATOM 173 C PRO A 13 10.225 7.505 12.187 1.00 0.00 C ATOM 174 O PRO A 13 11.090 7.399 11.339 1.00 0.00 O ATOM 175 CB PRO A 13 11.404 7.579 14.410 1.00 0.00 C ATOM 176 CG PRO A 13 12.692 6.856 14.176 1.00 0.00 C ATOM 177 CD PRO A 13 12.348 5.423 13.858 1.00 0.00 C ATOM 0 HA PRO A 13 9.380 6.842 14.007 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.480 8.626 14.116 1.00 0.00 H new ATOM 0 HB3 PRO A 13 11.129 7.563 15.465 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.244 7.311 13.354 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.330 6.912 15.058 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.994 5.022 13.077 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.467 4.781 14.731 1.00 0.00 H new ATOM 185 N GLY A 14 9.134 8.187 11.964 1.00 0.00 N ATOM 186 CA GLY A 14 8.924 8.860 10.651 1.00 0.00 C ATOM 187 C GLY A 14 7.827 8.132 9.870 1.00 0.00 C ATOM 188 O GLY A 14 7.071 8.737 9.135 1.00 0.00 O ATOM 0 H GLY A 14 8.377 8.307 12.637 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.644 9.902 10.806 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.852 8.861 10.079 1.00 0.00 H new ATOM 192 N TRP A 15 7.754 6.833 10.001 1.00 0.00 N ATOM 193 CA TRP A 15 6.730 6.054 9.242 1.00 0.00 C ATOM 194 C TRP A 15 5.309 6.463 9.639 1.00 0.00 C ATOM 195 O TRP A 15 5.037 6.791 10.778 1.00 0.00 O ATOM 196 CB TRP A 15 6.990 4.593 9.613 1.00 0.00 C ATOM 197 CG TRP A 15 7.955 4.000 8.640 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.278 3.827 8.863 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.698 3.504 7.293 1.00 0.00 C ATOM 200 NE1 TRP A 15 9.849 3.255 7.741 1.00 0.00 N ATOM 201 CE2 TRP A 15 8.916 3.037 6.747 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.540 3.414 6.503 1.00 0.00 C ATOM 203 CZ2 TRP A 15 8.984 2.502 5.461 1.00 0.00 C ATOM 204 CZ3 TRP A 15 6.603 2.875 5.207 1.00 0.00 C ATOM 205 CH2 TRP A 15 7.824 2.420 4.688 1.00 0.00 C ATOM 0 H TRP A 15 8.361 6.276 10.603 1.00 0.00 H new ATOM 0 HA TRP A 15 6.807 6.231 8.169 1.00 0.00 H new ATOM 0 HB2 TRP A 15 7.390 4.529 10.625 1.00 0.00 H new ATOM 0 HB3 TRP A 15 6.056 4.032 9.604 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.802 4.092 9.769 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.839 3.023 7.658 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.595 3.761 6.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 9.927 2.154 5.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.707 2.811 4.608 1.00 0.00 H new ATOM 0 HH2 TRP A 15 7.867 2.007 3.691 1.00 0.00 H new ATOM 216 N LYS A 16 4.402 6.434 8.698 1.00 0.00 N ATOM 217 CA LYS A 16 2.986 6.807 8.995 1.00 0.00 C ATOM 218 C LYS A 16 2.038 5.852 8.261 1.00 0.00 C ATOM 219 O LYS A 16 2.206 5.583 7.088 1.00 0.00 O ATOM 220 CB LYS A 16 2.831 8.232 8.463 1.00 0.00 C ATOM 221 CG LYS A 16 3.010 9.229 9.609 1.00 0.00 C ATOM 222 CD LYS A 16 1.710 9.328 10.409 1.00 0.00 C ATOM 223 CE LYS A 16 1.529 10.761 10.918 1.00 0.00 C ATOM 224 NZ LYS A 16 0.776 10.624 12.194 1.00 0.00 N ATOM 0 H LYS A 16 4.582 6.166 7.730 1.00 0.00 H new ATOM 0 HA LYS A 16 2.750 6.746 10.057 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.569 8.422 7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.848 8.357 8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.825 8.910 10.258 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.282 10.208 9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.864 9.044 9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.734 8.633 11.249 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.491 11.248 11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.980 11.369 10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.716 11.550 12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.183 10.274 11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.268 9.952 12.817 1.00 0.00 H new ATOM 238 N ARG A 17 1.052 5.332 8.941 1.00 0.00 N ATOM 239 CA ARG A 17 0.102 4.388 8.281 1.00 0.00 C ATOM 240 C ARG A 17 -1.309 4.991 8.232 1.00 0.00 C ATOM 241 O ARG A 17 -1.674 5.807 9.054 1.00 0.00 O ATOM 242 CB ARG A 17 0.144 3.121 9.147 1.00 0.00 C ATOM 243 CG ARG A 17 -0.692 3.310 10.420 1.00 0.00 C ATOM 244 CD ARG A 17 -2.013 2.547 10.278 1.00 0.00 C ATOM 245 NE ARG A 17 -2.532 2.406 11.668 1.00 0.00 N ATOM 246 CZ ARG A 17 -3.688 1.836 11.876 1.00 0.00 C ATOM 247 NH1 ARG A 17 -4.724 2.181 11.161 1.00 0.00 N ATOM 248 NH2 ARG A 17 -3.806 0.919 12.798 1.00 0.00 N ATOM 0 H ARG A 17 0.862 5.520 9.926 1.00 0.00 H new ATOM 0 HA ARG A 17 0.373 4.176 7.247 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.236 2.272 8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.175 2.890 9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.141 2.947 11.288 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.887 4.369 10.587 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.717 3.091 9.648 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.858 1.573 9.815 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.985 2.754 12.455 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.631 2.896 10.440 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.627 1.736 11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.995 0.649 13.355 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.709 0.473 12.961 1.00 0.00 H new ATOM 262 N ARG A 18 -2.099 4.596 7.270 1.00 0.00 N ATOM 263 CA ARG A 18 -3.482 5.143 7.161 1.00 0.00 C ATOM 264 C ARG A 18 -4.461 4.033 6.767 1.00 0.00 C ATOM 265 O ARG A 18 -4.073 3.007 6.244 1.00 0.00 O ATOM 266 CB ARG A 18 -3.401 6.204 6.060 1.00 0.00 C ATOM 267 CG ARG A 18 -4.791 6.795 5.809 1.00 0.00 C ATOM 268 CD ARG A 18 -4.654 8.141 5.093 1.00 0.00 C ATOM 269 NE ARG A 18 -4.325 7.795 3.682 1.00 0.00 N ATOM 270 CZ ARG A 18 -4.866 8.467 2.703 1.00 0.00 C ATOM 271 NH1 ARG A 18 -4.948 9.768 2.773 1.00 0.00 N ATOM 272 NH2 ARG A 18 -5.323 7.840 1.654 1.00 0.00 N ATOM 0 H ARG A 18 -1.845 3.916 6.553 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.838 5.559 8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.707 6.993 6.352 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.013 5.761 5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.385 6.109 5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.318 6.926 6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.578 8.716 5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.870 8.750 5.543 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.677 7.033 3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.589 10.258 3.592 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.371 10.294 2.008 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.258 6.824 1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.746 8.366 0.889 1.00 0.00 H new ATOM 286 N GLU A 19 -5.729 4.234 7.011 1.00 0.00 N ATOM 287 CA GLU A 19 -6.738 3.196 6.648 1.00 0.00 C ATOM 288 C GLU A 19 -7.658 3.726 5.544 1.00 0.00 C ATOM 289 O GLU A 19 -8.006 4.891 5.522 1.00 0.00 O ATOM 290 CB GLU A 19 -7.531 2.945 7.934 1.00 0.00 C ATOM 291 CG GLU A 19 -7.491 1.456 8.280 1.00 0.00 C ATOM 292 CD GLU A 19 -8.295 1.207 9.558 1.00 0.00 C ATOM 293 OE1 GLU A 19 -7.974 1.816 10.564 1.00 0.00 O ATOM 294 OE2 GLU A 19 -9.218 0.411 9.508 1.00 0.00 O ATOM 0 H GLU A 19 -6.110 5.074 7.447 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.278 2.283 6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.111 3.530 8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.563 3.271 7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.903 0.870 7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.460 1.131 8.418 1.00 0.00 H new ATOM 301 N VAL A 20 -8.055 2.883 4.627 1.00 0.00 N ATOM 302 CA VAL A 20 -8.952 3.344 3.526 1.00 0.00 C ATOM 303 C VAL A 20 -10.124 2.374 3.351 1.00 0.00 C ATOM 304 O VAL A 20 -9.985 1.324 2.758 1.00 0.00 O ATOM 305 CB VAL A 20 -8.080 3.354 2.268 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.861 3.974 1.106 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.815 4.175 2.528 1.00 0.00 C ATOM 0 H VAL A 20 -7.797 1.897 4.593 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.377 4.326 3.735 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.803 2.331 2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.238 3.980 0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.760 3.388 0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.141 4.996 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.195 4.181 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.091 5.197 2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.257 3.732 3.352 1.00 0.00 H new ATOM 317 N PHE A 21 -11.278 2.720 3.855 1.00 0.00 N ATOM 318 CA PHE A 21 -12.459 1.817 3.712 1.00 0.00 C ATOM 319 C PHE A 21 -13.148 2.055 2.362 1.00 0.00 C ATOM 320 O PHE A 21 -14.347 2.231 2.293 1.00 0.00 O ATOM 321 CB PHE A 21 -13.389 2.202 4.863 1.00 0.00 C ATOM 322 CG PHE A 21 -14.213 1.004 5.270 1.00 0.00 C ATOM 323 CD1 PHE A 21 -13.580 -0.192 5.630 1.00 0.00 C ATOM 324 CD2 PHE A 21 -15.611 1.090 5.289 1.00 0.00 C ATOM 325 CE1 PHE A 21 -14.345 -1.302 6.008 1.00 0.00 C ATOM 326 CE2 PHE A 21 -16.374 -0.020 5.667 1.00 0.00 C ATOM 327 CZ PHE A 21 -15.742 -1.216 6.026 1.00 0.00 C ATOM 0 H PHE A 21 -11.455 3.589 4.360 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.181 0.763 3.745 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.806 2.560 5.711 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.043 3.019 4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.502 -0.258 5.616 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -16.099 2.013 5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.857 -2.225 6.286 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -17.452 0.046 5.682 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.332 -2.072 6.317 1.00 0.00 H new ATOM 337 N ARG A 22 -12.392 2.052 1.292 1.00 0.00 N ATOM 338 CA ARG A 22 -12.982 2.273 -0.065 1.00 0.00 C ATOM 339 C ARG A 22 -13.905 3.497 -0.072 1.00 0.00 C ATOM 340 O ARG A 22 -14.088 4.164 0.926 1.00 0.00 O ATOM 341 CB ARG A 22 -13.779 1.007 -0.357 1.00 0.00 C ATOM 342 CG ARG A 22 -12.927 0.058 -1.199 1.00 0.00 C ATOM 343 CD ARG A 22 -12.897 0.540 -2.651 1.00 0.00 C ATOM 344 NE ARG A 22 -11.469 0.456 -3.053 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.920 -0.701 -3.313 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.582 -1.502 -2.339 1.00 0.00 N ATOM 347 NH2 ARG A 22 -10.700 -1.054 -4.548 1.00 0.00 N ATOM 0 H ARG A 22 -11.383 1.905 1.301 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.213 2.462 -0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.070 0.523 0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.698 1.256 -0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.914 0.013 -0.800 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.334 -0.952 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.524 -0.085 -3.287 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.272 1.560 -2.736 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.913 1.308 -3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.746 -1.226 -1.371 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.154 -2.404 -2.546 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.956 -0.427 -5.311 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.271 -1.957 -4.752 1.00 0.00 H new ATOM 361 N LYS A 23 -14.481 3.791 -1.203 1.00 0.00 N ATOM 362 CA LYS A 23 -15.394 4.962 -1.303 1.00 0.00 C ATOM 363 C LYS A 23 -16.610 4.604 -2.164 1.00 0.00 C ATOM 364 O LYS A 23 -17.719 5.008 -1.876 1.00 0.00 O ATOM 365 CB LYS A 23 -14.558 6.051 -1.976 1.00 0.00 C ATOM 366 CG LYS A 23 -15.405 7.310 -2.192 1.00 0.00 C ATOM 367 CD LYS A 23 -15.625 7.535 -3.693 1.00 0.00 C ATOM 368 CE LYS A 23 -14.274 7.659 -4.403 1.00 0.00 C ATOM 369 NZ LYS A 23 -14.583 8.308 -5.708 1.00 0.00 N ATOM 0 H LYS A 23 -14.357 3.266 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.775 5.282 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.691 6.288 -1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.179 5.690 -2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.365 7.205 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.906 8.175 -1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.193 6.706 -4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.214 8.438 -3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.575 8.258 -3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.813 6.682 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.705 8.427 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.245 7.712 -6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.015 9.239 -5.539 1.00 0.00 H new ATOM 383 N SER A 24 -16.409 3.844 -3.219 1.00 0.00 N ATOM 384 CA SER A 24 -17.558 3.454 -4.107 1.00 0.00 C ATOM 385 C SER A 24 -17.049 2.837 -5.415 1.00 0.00 C ATOM 386 O SER A 24 -15.892 2.486 -5.541 1.00 0.00 O ATOM 387 CB SER A 24 -18.320 4.749 -4.409 1.00 0.00 C ATOM 388 OG SER A 24 -19.533 4.763 -3.668 1.00 0.00 O ATOM 0 H SER A 24 -15.501 3.477 -3.504 1.00 0.00 H new ATOM 0 HA SER A 24 -18.191 2.712 -3.621 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.710 5.613 -4.147 1.00 0.00 H new ATOM 0 HB3 SER A 24 -18.531 4.820 -5.476 1.00 0.00 H new ATOM 0 HG SER A 24 -19.331 4.793 -2.710 1.00 0.00 H new ATOM 394 N GLY A 25 -17.914 2.711 -6.390 1.00 0.00 N ATOM 395 CA GLY A 25 -17.499 2.126 -7.698 1.00 0.00 C ATOM 396 C GLY A 25 -17.921 0.657 -7.761 1.00 0.00 C ATOM 397 O GLY A 25 -19.012 0.327 -8.184 1.00 0.00 O ATOM 0 H GLY A 25 -18.894 2.990 -6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.956 2.681 -8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.419 2.210 -7.819 1.00 0.00 H new ATOM 401 N ALA A 26 -17.056 -0.219 -7.343 1.00 0.00 N ATOM 402 CA ALA A 26 -17.372 -1.678 -7.364 1.00 0.00 C ATOM 403 C ALA A 26 -16.666 -2.358 -6.193 1.00 0.00 C ATOM 404 O ALA A 26 -17.219 -3.195 -5.507 1.00 0.00 O ATOM 405 CB ALA A 26 -16.812 -2.178 -8.697 1.00 0.00 C ATOM 0 H ALA A 26 -16.130 0.013 -6.982 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.438 -1.888 -7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.002 -3.247 -8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.296 -1.647 -9.517 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.738 -1.996 -8.731 1.00 0.00 H new ATOM 411 N THR A 27 -15.442 -1.977 -5.960 1.00 0.00 N ATOM 412 CA THR A 27 -14.654 -2.552 -4.837 1.00 0.00 C ATOM 413 C THR A 27 -15.091 -1.917 -3.508 1.00 0.00 C ATOM 414 O THR A 27 -14.565 -2.235 -2.459 1.00 0.00 O ATOM 415 CB THR A 27 -13.208 -2.161 -5.167 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.122 -0.751 -5.353 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.769 -2.864 -6.455 1.00 0.00 C ATOM 0 H THR A 27 -14.946 -1.277 -6.512 1.00 0.00 H new ATOM 0 HA THR A 27 -14.785 -3.629 -4.730 1.00 0.00 H new ATOM 0 HB THR A 27 -12.560 -2.461 -4.344 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.801 -0.560 -6.259 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.741 -2.586 -6.689 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.831 -3.944 -6.319 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.422 -2.563 -7.274 1.00 0.00 H new ATOM 425 N CYS A 28 -16.038 -1.010 -3.552 1.00 0.00 N ATOM 426 CA CYS A 28 -16.511 -0.330 -2.307 1.00 0.00 C ATOM 427 C CYS A 28 -16.729 -1.326 -1.165 1.00 0.00 C ATOM 428 O CYS A 28 -17.259 -2.403 -1.358 1.00 0.00 O ATOM 429 CB CYS A 28 -17.838 0.319 -2.697 1.00 0.00 C ATOM 430 SG CYS A 28 -18.413 1.374 -1.344 1.00 0.00 S ATOM 0 H CYS A 28 -16.507 -0.710 -4.407 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.776 0.390 -1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.714 0.909 -3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -18.581 -0.449 -2.915 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.541 1.929 -1.676 1.00 0.00 H new ATOM 436 N GLY A 29 -16.335 -0.961 0.027 1.00 0.00 N ATOM 437 CA GLY A 29 -16.532 -1.876 1.192 1.00 0.00 C ATOM 438 C GLY A 29 -15.205 -2.527 1.593 1.00 0.00 C ATOM 439 O GLY A 29 -15.088 -3.103 2.657 1.00 0.00 O ATOM 0 H GLY A 29 -15.886 -0.071 0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.940 -1.318 2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.260 -2.647 0.938 1.00 0.00 H new ATOM 443 N ARG A 30 -14.204 -2.447 0.756 1.00 0.00 N ATOM 444 CA ARG A 30 -12.892 -3.068 1.102 1.00 0.00 C ATOM 445 C ARG A 30 -12.034 -2.082 1.898 1.00 0.00 C ATOM 446 O ARG A 30 -12.139 -0.883 1.736 1.00 0.00 O ATOM 447 CB ARG A 30 -12.237 -3.391 -0.241 1.00 0.00 C ATOM 448 CG ARG A 30 -13.056 -4.464 -0.962 1.00 0.00 C ATOM 449 CD ARG A 30 -12.290 -4.950 -2.196 1.00 0.00 C ATOM 450 NE ARG A 30 -13.123 -6.052 -2.756 1.00 0.00 N ATOM 451 CZ ARG A 30 -12.714 -6.706 -3.809 1.00 0.00 C ATOM 452 NH1 ARG A 30 -12.491 -6.072 -4.927 1.00 0.00 N ATOM 453 NH2 ARG A 30 -12.528 -7.997 -3.743 1.00 0.00 N ATOM 0 H ARG A 30 -14.238 -1.980 -0.150 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.007 -3.958 1.721 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.176 -2.492 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.216 -3.740 -0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.251 -5.300 -0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.024 -4.060 -1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.159 -4.147 -2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.294 -5.304 -1.929 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.011 -6.295 -2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.636 -5.064 -4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.171 -6.585 -5.749 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.702 -8.493 -2.869 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.208 -8.509 -4.565 1.00 0.00 H new ATOM 467 N SER A 31 -11.189 -2.581 2.761 1.00 0.00 N ATOM 468 CA SER A 31 -10.326 -1.674 3.571 1.00 0.00 C ATOM 469 C SER A 31 -8.862 -1.803 3.142 1.00 0.00 C ATOM 470 O SER A 31 -8.263 -2.855 3.250 1.00 0.00 O ATOM 471 CB SER A 31 -10.505 -2.142 5.014 1.00 0.00 C ATOM 472 OG SER A 31 -9.798 -3.362 5.203 1.00 0.00 O ATOM 0 H SER A 31 -11.060 -3.577 2.939 1.00 0.00 H new ATOM 0 HA SER A 31 -10.599 -0.626 3.444 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.135 -1.383 5.703 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.563 -2.284 5.234 1.00 0.00 H new ATOM 0 HG SER A 31 -9.323 -3.596 4.378 1.00 0.00 H new ATOM 478 N ASP A 32 -8.284 -0.737 2.659 1.00 0.00 N ATOM 479 CA ASP A 32 -6.859 -0.784 2.224 1.00 0.00 C ATOM 480 C ASP A 32 -6.014 0.146 3.095 1.00 0.00 C ATOM 481 O ASP A 32 -6.328 1.306 3.270 1.00 0.00 O ATOM 482 CB ASP A 32 -6.876 -0.306 0.773 1.00 0.00 C ATOM 483 CG ASP A 32 -7.512 -1.381 -0.110 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.563 -1.879 0.261 1.00 0.00 O ATOM 485 OD2 ASP A 32 -6.940 -1.687 -1.143 1.00 0.00 O ATOM 0 H ASP A 32 -8.740 0.169 2.547 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.426 -1.780 2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.437 0.625 0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.861 -0.097 0.436 1.00 0.00 H new ATOM 490 N THR A 33 -4.946 -0.359 3.650 1.00 0.00 N ATOM 491 CA THR A 33 -4.083 0.490 4.518 1.00 0.00 C ATOM 492 C THR A 33 -2.862 0.981 3.739 1.00 0.00 C ATOM 493 O THR A 33 -2.105 0.200 3.195 1.00 0.00 O ATOM 494 CB THR A 33 -3.659 -0.422 5.669 1.00 0.00 C ATOM 495 OG1 THR A 33 -4.798 -1.107 6.172 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.031 0.416 6.784 1.00 0.00 C ATOM 0 H THR A 33 -4.634 -1.324 3.539 1.00 0.00 H new ATOM 0 HA THR A 33 -4.605 1.378 4.874 1.00 0.00 H new ATOM 0 HB THR A 33 -2.928 -1.146 5.308 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.562 -1.568 7.004 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.729 -0.236 7.604 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.157 0.940 6.397 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.758 1.142 7.147 1.00 0.00 H new ATOM 504 N TYR A 34 -2.662 2.270 3.689 1.00 0.00 N ATOM 505 CA TYR A 34 -1.489 2.822 2.955 1.00 0.00 C ATOM 506 C TYR A 34 -0.528 3.474 3.950 1.00 0.00 C ATOM 507 O TYR A 34 -0.947 4.081 4.914 1.00 0.00 O ATOM 508 CB TYR A 34 -2.073 3.867 2.008 1.00 0.00 C ATOM 509 CG TYR A 34 -2.901 3.178 0.952 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.231 2.826 1.216 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.337 2.891 -0.295 1.00 0.00 C ATOM 512 CE1 TYR A 34 -4.993 2.191 0.233 1.00 0.00 C ATOM 513 CE2 TYR A 34 -3.100 2.255 -1.278 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.429 1.905 -1.015 1.00 0.00 C ATOM 515 OH TYR A 34 -5.182 1.278 -1.986 1.00 0.00 O ATOM 0 H TYR A 34 -3.264 2.967 4.127 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.930 2.058 2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.688 4.575 2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.271 4.440 1.541 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.667 3.046 2.179 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.311 3.161 -0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.019 1.920 0.436 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.664 2.034 -2.241 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.639 1.155 -2.792 1.00 0.00 H new ATOM 525 N TYR A 35 0.754 3.349 3.738 1.00 0.00 N ATOM 526 CA TYR A 35 1.721 3.961 4.698 1.00 0.00 C ATOM 527 C TYR A 35 2.899 4.592 3.949 1.00 0.00 C ATOM 528 O TYR A 35 3.408 4.044 2.992 1.00 0.00 O ATOM 529 CB TYR A 35 2.215 2.815 5.599 1.00 0.00 C ATOM 530 CG TYR A 35 1.569 1.503 5.203 1.00 0.00 C ATOM 531 CD1 TYR A 35 2.007 0.825 4.061 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.535 0.969 5.982 1.00 0.00 C ATOM 533 CE1 TYR A 35 1.411 -0.389 3.696 1.00 0.00 C ATOM 534 CE2 TYR A 35 -0.061 -0.243 5.617 1.00 0.00 C ATOM 535 CZ TYR A 35 0.378 -0.922 4.474 1.00 0.00 C ATOM 536 OH TYR A 35 -0.211 -2.118 4.115 1.00 0.00 O ATOM 0 H TYR A 35 1.172 2.855 2.950 1.00 0.00 H new ATOM 0 HA TYR A 35 1.249 4.752 5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.299 2.729 5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.984 3.040 6.640 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.805 1.237 3.461 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.198 1.493 6.864 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.749 -0.913 2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.859 -0.655 6.217 1.00 0.00 H new ATOM 0 HH TYR A 35 0.399 -2.622 3.537 1.00 0.00 H new ATOM 546 N GLN A 36 3.341 5.738 4.394 1.00 0.00 N ATOM 547 CA GLN A 36 4.494 6.405 3.727 1.00 0.00 C ATOM 548 C GLN A 36 5.770 6.132 4.524 1.00 0.00 C ATOM 549 O GLN A 36 5.731 5.914 5.721 1.00 0.00 O ATOM 550 CB GLN A 36 4.160 7.900 3.738 1.00 0.00 C ATOM 551 CG GLN A 36 5.313 8.696 3.111 1.00 0.00 C ATOM 552 CD GLN A 36 5.069 10.192 3.317 1.00 0.00 C ATOM 553 OE1 GLN A 36 5.145 10.685 4.425 1.00 0.00 O ATOM 554 NE2 GLN A 36 4.777 10.940 2.289 1.00 0.00 N ATOM 0 H GLN A 36 2.952 6.241 5.192 1.00 0.00 H new ATOM 0 HA GLN A 36 4.658 6.042 2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.239 8.080 3.184 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.988 8.236 4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.260 8.405 3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.388 8.472 2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.713 10.526 1.359 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.613 11.939 2.415 1.00 0.00 H new ATOM 563 N SER A 37 6.896 6.136 3.867 1.00 0.00 N ATOM 564 CA SER A 37 8.184 5.873 4.574 1.00 0.00 C ATOM 565 C SER A 37 8.348 6.824 5.758 1.00 0.00 C ATOM 566 O SER A 37 7.468 7.615 6.039 1.00 0.00 O ATOM 567 CB SER A 37 9.261 6.121 3.526 1.00 0.00 C ATOM 568 OG SER A 37 9.730 4.870 3.046 1.00 0.00 O ATOM 0 H SER A 37 6.982 6.311 2.866 1.00 0.00 H new ATOM 0 HA SER A 37 8.235 4.863 4.980 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.859 6.713 2.704 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.083 6.692 3.958 1.00 0.00 H new ATOM 0 HG SER A 37 10.643 4.972 2.706 1.00 0.00 H new ATOM 574 N PRO A 38 9.465 6.717 6.432 1.00 0.00 N ATOM 575 CA PRO A 38 9.704 7.574 7.597 1.00 0.00 C ATOM 576 C PRO A 38 10.307 8.914 7.183 1.00 0.00 C ATOM 577 O PRO A 38 10.429 9.812 7.994 1.00 0.00 O ATOM 578 CB PRO A 38 10.689 6.770 8.433 1.00 0.00 C ATOM 579 CG PRO A 38 11.401 5.871 7.468 1.00 0.00 C ATOM 580 CD PRO A 38 10.592 5.810 6.190 1.00 0.00 C ATOM 0 HA PRO A 38 8.788 7.819 8.135 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.391 7.425 8.949 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.172 6.191 9.199 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.403 6.249 7.265 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.516 4.874 7.892 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.182 6.128 5.330 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.250 4.796 5.984 1.00 0.00 H new ATOM 588 N THR A 39 10.699 9.068 5.944 1.00 0.00 N ATOM 589 CA THR A 39 11.297 10.374 5.550 1.00 0.00 C ATOM 590 C THR A 39 11.286 10.600 4.029 1.00 0.00 C ATOM 591 O THR A 39 11.948 11.494 3.538 1.00 0.00 O ATOM 592 CB THR A 39 12.725 10.307 6.090 1.00 0.00 C ATOM 593 OG1 THR A 39 13.379 11.545 5.849 1.00 0.00 O ATOM 594 CG2 THR A 39 13.489 9.177 5.397 1.00 0.00 C ATOM 0 H THR A 39 10.633 8.366 5.207 1.00 0.00 H new ATOM 0 HA THR A 39 10.728 11.212 5.952 1.00 0.00 H new ATOM 0 HB THR A 39 12.697 10.113 7.162 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.078 11.912 4.992 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.506 9.134 5.786 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.987 8.228 5.587 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.518 9.363 4.323 1.00 0.00 H new ATOM 602 N GLY A 40 10.531 9.837 3.273 1.00 0.00 N ATOM 603 CA GLY A 40 10.501 10.090 1.800 1.00 0.00 C ATOM 604 C GLY A 40 10.325 8.798 0.993 1.00 0.00 C ATOM 605 O GLY A 40 11.270 8.260 0.450 1.00 0.00 O ATOM 0 H GLY A 40 9.948 9.068 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.686 10.775 1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.426 10.581 1.499 1.00 0.00 H new ATOM 609 N ASP A 41 9.111 8.325 0.878 1.00 0.00 N ATOM 610 CA ASP A 41 8.830 7.093 0.071 1.00 0.00 C ATOM 611 C ASP A 41 7.369 6.675 0.262 1.00 0.00 C ATOM 612 O ASP A 41 6.890 6.553 1.370 1.00 0.00 O ATOM 613 CB ASP A 41 9.774 6.002 0.586 1.00 0.00 C ATOM 614 CG ASP A 41 10.640 5.494 -0.568 1.00 0.00 C ATOM 615 OD1 ASP A 41 11.370 6.294 -1.130 1.00 0.00 O ATOM 616 OD2 ASP A 41 10.555 4.316 -0.872 1.00 0.00 O ATOM 0 H ASP A 41 8.289 8.744 1.314 1.00 0.00 H new ATOM 0 HA ASP A 41 8.990 7.267 -0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.405 6.397 1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.199 5.180 1.013 1.00 0.00 H new ATOM 621 N ARG A 42 6.655 6.462 -0.812 1.00 0.00 N ATOM 622 CA ARG A 42 5.223 6.061 -0.689 1.00 0.00 C ATOM 623 C ARG A 42 5.076 4.543 -0.824 1.00 0.00 C ATOM 624 O ARG A 42 5.173 3.994 -1.905 1.00 0.00 O ATOM 625 CB ARG A 42 4.513 6.771 -1.844 1.00 0.00 C ATOM 626 CG ARG A 42 3.032 6.946 -1.504 1.00 0.00 C ATOM 627 CD ARG A 42 2.876 8.024 -0.429 1.00 0.00 C ATOM 628 NE ARG A 42 1.520 8.601 -0.652 1.00 0.00 N ATOM 629 CZ ARG A 42 1.106 9.597 0.082 1.00 0.00 C ATOM 630 NH1 ARG A 42 0.510 9.366 1.221 1.00 0.00 N ATOM 631 NH2 ARG A 42 1.288 10.825 -0.321 1.00 0.00 N ATOM 0 H ARG A 42 7.001 6.548 -1.768 1.00 0.00 H new ATOM 0 HA ARG A 42 4.804 6.332 0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.973 7.743 -2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.620 6.192 -2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.474 7.226 -2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.616 6.003 -1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.964 7.599 0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.649 8.787 -0.521 1.00 0.00 H new ATOM 0 HE ARG A 42 0.916 8.217 -1.379 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.368 8.407 1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.187 10.145 1.795 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.754 11.006 -1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.964 11.603 0.253 1.00 0.00 H new ATOM 645 N ILE A 43 4.840 3.861 0.266 1.00 0.00 N ATOM 646 CA ILE A 43 4.682 2.379 0.202 1.00 0.00 C ATOM 647 C ILE A 43 3.205 2.019 0.380 1.00 0.00 C ATOM 648 O ILE A 43 2.523 2.555 1.233 1.00 0.00 O ATOM 649 CB ILE A 43 5.540 1.834 1.359 1.00 0.00 C ATOM 650 CG1 ILE A 43 7.006 1.725 0.917 1.00 0.00 C ATOM 651 CG2 ILE A 43 5.047 0.442 1.766 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.454 3.022 0.245 1.00 0.00 C ATOM 0 H ILE A 43 4.750 4.267 1.198 1.00 0.00 H new ATOM 0 HA ILE A 43 4.998 1.956 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 43 5.457 2.518 2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.639 1.517 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.124 0.890 0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.659 0.064 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.008 0.504 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.123 -0.234 0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.495 2.931 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.832 3.212 -0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.355 3.849 0.948 1.00 0.00 H new ATOM 664 N ARG A 44 2.703 1.122 -0.423 1.00 0.00 N ATOM 665 CA ARG A 44 1.268 0.737 -0.305 1.00 0.00 C ATOM 666 C ARG A 44 1.129 -0.699 0.207 1.00 0.00 C ATOM 667 O ARG A 44 0.034 -1.181 0.417 1.00 0.00 O ATOM 668 CB ARG A 44 0.706 0.850 -1.724 1.00 0.00 C ATOM 669 CG ARG A 44 0.995 2.242 -2.288 1.00 0.00 C ATOM 670 CD ARG A 44 -0.104 2.631 -3.279 1.00 0.00 C ATOM 671 NE ARG A 44 -0.474 4.025 -2.911 1.00 0.00 N ATOM 672 CZ ARG A 44 -0.761 4.891 -3.844 1.00 0.00 C ATOM 673 NH1 ARG A 44 -1.592 4.571 -4.798 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.220 6.078 -3.821 1.00 0.00 N ATOM 0 H ARG A 44 3.224 0.639 -1.155 1.00 0.00 H new ATOM 0 HA ARG A 44 0.737 1.374 0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.153 0.089 -2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.369 0.668 -1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.044 2.971 -1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.966 2.251 -2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.253 2.575 -4.307 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.961 1.961 -3.202 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.503 4.303 -1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.017 3.644 -4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.816 5.248 -5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.427 6.329 -3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.444 6.755 -4.550 1.00 0.00 H new ATOM 688 N SER A 45 2.221 -1.396 0.400 1.00 0.00 N ATOM 689 CA SER A 45 2.114 -2.805 0.888 1.00 0.00 C ATOM 690 C SER A 45 3.392 -3.228 1.620 1.00 0.00 C ATOM 691 O SER A 45 4.222 -2.411 1.969 1.00 0.00 O ATOM 692 CB SER A 45 1.916 -3.638 -0.382 1.00 0.00 C ATOM 693 OG SER A 45 3.017 -4.522 -0.549 1.00 0.00 O ATOM 0 H SER A 45 3.170 -1.056 0.243 1.00 0.00 H new ATOM 0 HA SER A 45 1.299 -2.934 1.600 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.988 -4.206 -0.316 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.828 -2.983 -1.249 1.00 0.00 H new ATOM 0 HG SER A 45 2.888 -5.055 -1.361 1.00 0.00 H new ATOM 699 N LYS A 46 3.559 -4.508 1.836 1.00 0.00 N ATOM 700 CA LYS A 46 4.785 -4.997 2.524 1.00 0.00 C ATOM 701 C LYS A 46 5.940 -5.027 1.525 1.00 0.00 C ATOM 702 O LYS A 46 7.043 -4.615 1.829 1.00 0.00 O ATOM 703 CB LYS A 46 4.446 -6.408 3.005 1.00 0.00 C ATOM 704 CG LYS A 46 5.221 -6.704 4.290 1.00 0.00 C ATOM 705 CD LYS A 46 5.047 -8.178 4.664 1.00 0.00 C ATOM 706 CE LYS A 46 6.207 -8.989 4.083 1.00 0.00 C ATOM 707 NZ LYS A 46 5.748 -10.404 4.131 1.00 0.00 N ATOM 0 H LYS A 46 2.896 -5.234 1.564 1.00 0.00 H new ATOM 0 HA LYS A 46 5.085 -4.360 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.374 -6.496 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.701 -7.138 2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.278 -6.476 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.861 -6.068 5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.018 -8.289 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.098 -8.553 4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.432 -8.681 3.062 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.118 -8.849 4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.491 -11.023 3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.548 -10.671 5.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.884 -10.508 3.562 1.00 0.00 H new ATOM 721 N VAL A 47 5.693 -5.490 0.324 1.00 0.00 N ATOM 722 CA VAL A 47 6.779 -5.517 -0.697 1.00 0.00 C ATOM 723 C VAL A 47 7.329 -4.099 -0.867 1.00 0.00 C ATOM 724 O VAL A 47 8.510 -3.859 -0.712 1.00 0.00 O ATOM 725 CB VAL A 47 6.103 -6.005 -1.976 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.990 -5.712 -3.185 1.00 0.00 C ATOM 727 CG2 VAL A 47 5.859 -7.512 -1.880 1.00 0.00 C ATOM 0 H VAL A 47 4.791 -5.848 0.010 1.00 0.00 H new ATOM 0 HA VAL A 47 7.615 -6.161 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 47 5.153 -5.484 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.498 -6.064 -4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.161 -4.638 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.945 -6.224 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.376 -7.861 -2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.811 -8.027 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.215 -7.723 -1.026 1.00 0.00 H new ATOM 737 N GLU A 48 6.469 -3.153 -1.158 1.00 0.00 N ATOM 738 CA GLU A 48 6.930 -1.740 -1.308 1.00 0.00 C ATOM 739 C GLU A 48 7.766 -1.365 -0.084 1.00 0.00 C ATOM 740 O GLU A 48 8.784 -0.701 -0.179 1.00 0.00 O ATOM 741 CB GLU A 48 5.649 -0.902 -1.367 1.00 0.00 C ATOM 742 CG GLU A 48 5.504 -0.286 -2.761 1.00 0.00 C ATOM 743 CD GLU A 48 6.138 1.105 -2.774 1.00 0.00 C ATOM 744 OE1 GLU A 48 7.138 1.285 -2.099 1.00 0.00 O ATOM 745 OE2 GLU A 48 5.613 1.967 -3.460 1.00 0.00 O ATOM 0 H GLU A 48 5.469 -3.300 -1.298 1.00 0.00 H new ATOM 0 HA GLU A 48 7.545 -1.582 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.784 -1.525 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.681 -0.116 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.985 -0.923 -3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.451 -0.219 -3.033 1.00 0.00 H new ATOM 752 N LEU A 49 7.347 -1.820 1.064 1.00 0.00 N ATOM 753 CA LEU A 49 8.106 -1.536 2.310 1.00 0.00 C ATOM 754 C LEU A 49 9.438 -2.280 2.253 1.00 0.00 C ATOM 755 O LEU A 49 10.479 -1.751 2.592 1.00 0.00 O ATOM 756 CB LEU A 49 7.226 -2.091 3.434 1.00 0.00 C ATOM 757 CG LEU A 49 7.314 -1.194 4.670 1.00 0.00 C ATOM 758 CD1 LEU A 49 6.243 -0.105 4.588 1.00 0.00 C ATOM 759 CD2 LEU A 49 7.080 -2.042 5.925 1.00 0.00 C ATOM 0 H LEU A 49 6.504 -2.381 1.191 1.00 0.00 H new ATOM 0 HA LEU A 49 8.322 -0.477 2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.192 -2.156 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.543 -3.103 3.687 1.00 0.00 H new ATOM 0 HG LEU A 49 8.300 -0.731 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.306 0.534 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.402 0.495 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.257 -0.567 4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.142 -1.408 6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.092 -2.501 5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.839 -2.822 5.984 1.00 0.00 H new ATOM 771 N THR A 50 9.404 -3.506 1.809 1.00 0.00 N ATOM 772 CA THR A 50 10.655 -4.305 1.703 1.00 0.00 C ATOM 773 C THR A 50 11.581 -3.687 0.647 1.00 0.00 C ATOM 774 O THR A 50 12.757 -3.990 0.588 1.00 0.00 O ATOM 775 CB THR A 50 10.186 -5.699 1.268 1.00 0.00 C ATOM 776 OG1 THR A 50 9.376 -6.260 2.291 1.00 0.00 O ATOM 777 CG2 THR A 50 11.397 -6.601 1.026 1.00 0.00 C ATOM 0 H THR A 50 8.557 -3.991 1.513 1.00 0.00 H new ATOM 0 HA THR A 50 11.218 -4.337 2.636 1.00 0.00 H new ATOM 0 HB THR A 50 9.611 -5.616 0.346 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.498 -5.825 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.058 -7.590 0.717 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.021 -6.170 0.243 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.976 -6.687 1.945 1.00 0.00 H new ATOM 785 N ARG A 51 11.059 -2.823 -0.185 1.00 0.00 N ATOM 786 CA ARG A 51 11.907 -2.187 -1.235 1.00 0.00 C ATOM 787 C ARG A 51 12.762 -1.077 -0.622 1.00 0.00 C ATOM 788 O ARG A 51 13.977 -1.137 -0.631 1.00 0.00 O ATOM 789 CB ARG A 51 10.922 -1.598 -2.243 1.00 0.00 C ATOM 790 CG ARG A 51 10.042 -2.712 -2.810 1.00 0.00 C ATOM 791 CD ARG A 51 10.527 -3.082 -4.214 1.00 0.00 C ATOM 792 NE ARG A 51 9.478 -3.986 -4.763 1.00 0.00 N ATOM 793 CZ ARG A 51 9.572 -4.421 -5.990 1.00 0.00 C ATOM 794 NH1 ARG A 51 9.374 -3.605 -6.988 1.00 0.00 N ATOM 795 NH2 ARG A 51 9.864 -5.672 -6.218 1.00 0.00 N ATOM 0 H ARG A 51 10.082 -2.531 -0.182 1.00 0.00 H new ATOM 0 HA ARG A 51 12.588 -2.901 -1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.303 -0.841 -1.762 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.463 -1.102 -3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.079 -3.586 -2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.003 -2.386 -2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.647 -2.195 -4.836 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.496 -3.580 -4.178 1.00 0.00 H new ATOM 0 HE ARG A 51 8.688 -4.264 -4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.146 -2.627 -6.810 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.447 -3.945 -7.947 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.019 -6.310 -5.437 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.937 -6.012 -7.177 1.00 0.00 H new ATOM 809 N TYR A 52 12.135 -0.061 -0.089 1.00 0.00 N ATOM 810 CA TYR A 52 12.910 1.060 0.525 1.00 0.00 C ATOM 811 C TYR A 52 13.809 0.531 1.647 1.00 0.00 C ATOM 812 O TYR A 52 14.788 1.152 2.013 1.00 0.00 O ATOM 813 CB TYR A 52 11.852 2.013 1.089 1.00 0.00 C ATOM 814 CG TYR A 52 12.392 3.428 1.141 1.00 0.00 C ATOM 815 CD1 TYR A 52 13.098 3.960 0.053 1.00 0.00 C ATOM 816 CD2 TYR A 52 12.170 4.215 2.278 1.00 0.00 C ATOM 817 CE1 TYR A 52 13.582 5.273 0.106 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.650 5.528 2.328 1.00 0.00 C ATOM 819 CZ TYR A 52 13.357 6.057 1.243 1.00 0.00 C ATOM 820 OH TYR A 52 13.830 7.352 1.293 1.00 0.00 O ATOM 0 H TYR A 52 11.121 0.042 -0.052 1.00 0.00 H new ATOM 0 HA TYR A 52 13.561 1.555 -0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.956 1.981 0.469 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.559 1.691 2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 52 13.269 3.357 -0.827 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.627 3.807 3.118 1.00 0.00 H new ATOM 0 HE1 TYR A 52 14.129 5.681 -0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.475 6.134 3.205 1.00 0.00 H new ATOM 0 HH TYR A 52 13.122 7.970 1.015 1.00 0.00 H new ATOM 830 N LEU A 53 13.482 -0.609 2.193 1.00 0.00 N ATOM 831 CA LEU A 53 14.317 -1.176 3.292 1.00 0.00 C ATOM 832 C LEU A 53 15.346 -2.161 2.724 1.00 0.00 C ATOM 833 O LEU A 53 16.304 -2.518 3.382 1.00 0.00 O ATOM 834 CB LEU A 53 13.329 -1.900 4.212 1.00 0.00 C ATOM 835 CG LEU A 53 12.226 -0.931 4.648 1.00 0.00 C ATOM 836 CD1 LEU A 53 11.110 -1.707 5.348 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.807 0.103 5.614 1.00 0.00 C ATOM 0 H LEU A 53 12.674 -1.172 1.926 1.00 0.00 H new ATOM 0 HA LEU A 53 14.876 -0.406 3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.893 -2.754 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.850 -2.290 5.086 1.00 0.00 H new ATOM 0 HG LEU A 53 11.823 -0.425 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.326 -1.016 5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.694 -2.444 4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.514 -2.214 6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.022 0.793 5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.211 -0.404 6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.602 0.659 5.117 1.00 0.00 H new ATOM 849 N GLY A 54 15.158 -2.601 1.506 1.00 0.00 N ATOM 850 CA GLY A 54 16.126 -3.558 0.899 1.00 0.00 C ATOM 851 C GLY A 54 15.489 -4.948 0.821 1.00 0.00 C ATOM 852 O GLY A 54 14.618 -5.274 1.603 1.00 0.00 O ATOM 0 H GLY A 54 14.375 -2.338 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.411 -3.220 -0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.038 -3.597 1.495 1.00 0.00 H new ATOM 856 N PRO A 55 15.945 -5.729 -0.125 1.00 0.00 N ATOM 857 CA PRO A 55 15.407 -7.101 -0.299 1.00 0.00 C ATOM 858 C PRO A 55 15.856 -7.995 0.858 1.00 0.00 C ATOM 859 O PRO A 55 15.169 -8.921 1.243 1.00 0.00 O ATOM 860 CB PRO A 55 16.017 -7.562 -1.621 1.00 0.00 C ATOM 861 CG PRO A 55 17.258 -6.744 -1.777 1.00 0.00 C ATOM 862 CD PRO A 55 16.993 -5.421 -1.107 1.00 0.00 C ATOM 0 HA PRO A 55 14.318 -7.140 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 55 16.246 -8.627 -1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.330 -7.400 -2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.111 -7.245 -1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 55 17.498 -6.603 -2.831 1.00 0.00 H new ATOM 0 HD2 PRO A 55 17.889 -5.030 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 55 16.662 -4.669 -1.823 1.00 0.00 H new ATOM 870 N ALA A 56 17.001 -7.716 1.422 1.00 0.00 N ATOM 871 CA ALA A 56 17.494 -8.543 2.563 1.00 0.00 C ATOM 872 C ALA A 56 16.718 -8.193 3.837 1.00 0.00 C ATOM 873 O ALA A 56 16.656 -8.971 4.769 1.00 0.00 O ATOM 874 CB ALA A 56 18.970 -8.172 2.715 1.00 0.00 C ATOM 0 H ALA A 56 17.616 -6.952 1.143 1.00 0.00 H new ATOM 0 HA ALA A 56 17.360 -9.611 2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.405 -8.740 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.501 -8.405 1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.057 -7.106 2.925 1.00 0.00 H new ATOM 880 N CYS A 57 16.123 -7.029 3.882 1.00 0.00 N ATOM 881 CA CYS A 57 15.349 -6.629 5.092 1.00 0.00 C ATOM 882 C CYS A 57 13.891 -7.081 4.960 1.00 0.00 C ATOM 883 O CYS A 57 12.988 -6.273 4.866 1.00 0.00 O ATOM 884 CB CYS A 57 15.436 -5.102 5.132 1.00 0.00 C ATOM 885 SG CYS A 57 16.885 -4.604 6.097 1.00 0.00 S ATOM 0 H CYS A 57 16.141 -6.338 3.132 1.00 0.00 H new ATOM 0 HA CYS A 57 15.741 -7.083 6.002 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.506 -4.705 4.119 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.531 -4.687 5.575 1.00 0.00 H new ATOM 0 HG CYS A 57 16.960 -3.307 6.129 1.00 0.00 H new ATOM 891 N ASP A 58 13.657 -8.366 4.953 1.00 0.00 N ATOM 892 CA ASP A 58 12.257 -8.873 4.827 1.00 0.00 C ATOM 893 C ASP A 58 11.402 -8.351 5.984 1.00 0.00 C ATOM 894 O ASP A 58 11.913 -7.845 6.965 1.00 0.00 O ATOM 895 CB ASP A 58 12.368 -10.398 4.895 1.00 0.00 C ATOM 896 CG ASP A 58 11.677 -11.018 3.678 1.00 0.00 C ATOM 897 OD1 ASP A 58 10.550 -10.638 3.404 1.00 0.00 O ATOM 898 OD2 ASP A 58 12.286 -11.863 3.041 1.00 0.00 O ATOM 0 H ASP A 58 14.374 -9.088 5.029 1.00 0.00 H new ATOM 0 HA ASP A 58 11.786 -8.542 3.902 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.416 -10.696 4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.909 -10.766 5.813 1.00 0.00 H new ATOM 903 N LEU A 59 10.105 -8.471 5.878 1.00 0.00 N ATOM 904 CA LEU A 59 9.219 -7.985 6.974 1.00 0.00 C ATOM 905 C LEU A 59 8.074 -8.975 7.201 1.00 0.00 C ATOM 906 O LEU A 59 6.919 -8.662 6.989 1.00 0.00 O ATOM 907 CB LEU A 59 8.676 -6.640 6.487 1.00 0.00 C ATOM 908 CG LEU A 59 9.836 -5.670 6.246 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.301 -4.370 5.640 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.537 -5.368 7.577 1.00 0.00 C ATOM 0 H LEU A 59 9.622 -8.884 5.080 1.00 0.00 H new ATOM 0 HA LEU A 59 9.751 -7.887 7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.108 -6.778 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.990 -6.225 7.226 1.00 0.00 H new ATOM 0 HG LEU A 59 10.549 -6.122 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.128 -3.681 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.807 -4.586 4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.586 -3.916 6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.363 -4.678 7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.825 -4.918 8.269 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.922 -6.294 8.004 1.00 0.00 H new ATOM 922 N THR A 60 8.387 -10.168 7.628 1.00 0.00 N ATOM 923 CA THR A 60 7.319 -11.182 7.866 1.00 0.00 C ATOM 924 C THR A 60 6.533 -10.839 9.136 1.00 0.00 C ATOM 925 O THR A 60 5.415 -11.280 9.321 1.00 0.00 O ATOM 926 CB THR A 60 8.055 -12.515 8.034 1.00 0.00 C ATOM 927 OG1 THR A 60 9.304 -12.462 7.356 1.00 0.00 O ATOM 928 CG2 THR A 60 7.206 -13.644 7.450 1.00 0.00 C ATOM 0 H THR A 60 9.337 -10.485 7.823 1.00 0.00 H new ATOM 0 HA THR A 60 6.600 -11.217 7.047 1.00 0.00 H new ATOM 0 HB THR A 60 8.228 -12.700 9.094 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.773 -13.315 7.467 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.730 -14.592 7.570 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.251 -13.689 7.973 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.031 -13.457 6.390 1.00 0.00 H new ATOM 936 N LEU A 61 7.107 -10.056 10.012 1.00 0.00 N ATOM 937 CA LEU A 61 6.391 -9.688 11.268 1.00 0.00 C ATOM 938 C LEU A 61 5.672 -8.344 11.107 1.00 0.00 C ATOM 939 O LEU A 61 5.234 -7.749 12.073 1.00 0.00 O ATOM 940 CB LEU A 61 7.485 -9.583 12.330 1.00 0.00 C ATOM 941 CG LEU A 61 7.943 -10.987 12.729 1.00 0.00 C ATOM 942 CD1 LEU A 61 9.379 -10.928 13.253 1.00 0.00 C ATOM 943 CD2 LEU A 61 7.022 -11.530 13.826 1.00 0.00 C ATOM 0 H LEU A 61 8.040 -9.656 9.911 1.00 0.00 H new ATOM 0 HA LEU A 61 5.629 -10.421 11.532 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.328 -9.010 11.944 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.110 -9.049 13.203 1.00 0.00 H new ATOM 0 HG LEU A 61 7.902 -11.643 11.859 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.704 -11.929 13.537 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.035 -10.541 12.473 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.422 -10.272 14.123 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.347 -12.531 14.112 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.064 -10.873 14.695 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.999 -11.573 13.453 1.00 0.00 H new ATOM 955 N PHE A 62 5.543 -7.862 9.899 1.00 0.00 N ATOM 956 CA PHE A 62 4.847 -6.559 9.686 1.00 0.00 C ATOM 957 C PHE A 62 3.396 -6.802 9.262 1.00 0.00 C ATOM 958 O PHE A 62 3.125 -7.568 8.358 1.00 0.00 O ATOM 959 CB PHE A 62 5.628 -5.865 8.566 1.00 0.00 C ATOM 960 CG PHE A 62 4.912 -4.597 8.159 1.00 0.00 C ATOM 961 CD1 PHE A 62 3.901 -4.647 7.192 1.00 0.00 C ATOM 962 CD2 PHE A 62 5.258 -3.375 8.747 1.00 0.00 C ATOM 963 CE1 PHE A 62 3.235 -3.476 6.814 1.00 0.00 C ATOM 964 CE2 PHE A 62 4.591 -2.202 8.369 1.00 0.00 C ATOM 965 CZ PHE A 62 3.580 -2.253 7.401 1.00 0.00 C ATOM 0 H PHE A 62 5.889 -8.313 9.052 1.00 0.00 H new ATOM 0 HA PHE A 62 4.817 -5.953 10.592 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.638 -5.632 8.903 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.724 -6.532 7.709 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.635 -5.590 6.738 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.039 -3.336 9.492 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.454 -3.516 6.069 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.856 -1.259 8.824 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.067 -1.349 7.108 1.00 0.00 H new ATOM 975 N ASP A 63 2.466 -6.155 9.908 1.00 0.00 N ATOM 976 CA ASP A 63 1.032 -6.346 9.543 1.00 0.00 C ATOM 977 C ASP A 63 0.630 -5.364 8.438 1.00 0.00 C ATOM 978 O ASP A 63 0.712 -4.163 8.602 1.00 0.00 O ATOM 979 CB ASP A 63 0.255 -6.056 10.826 1.00 0.00 C ATOM 980 CG ASP A 63 0.141 -7.337 11.653 1.00 0.00 C ATOM 981 OD1 ASP A 63 -0.246 -8.349 11.092 1.00 0.00 O ATOM 982 OD2 ASP A 63 0.444 -7.285 12.834 1.00 0.00 O ATOM 0 H ASP A 63 2.636 -5.502 10.673 1.00 0.00 H new ATOM 0 HA ASP A 63 0.833 -7.348 9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.761 -5.282 11.403 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.738 -5.677 10.585 1.00 0.00 H new ATOM 987 N PHE A 64 0.195 -5.869 7.315 1.00 0.00 N ATOM 988 CA PHE A 64 -0.217 -4.969 6.197 1.00 0.00 C ATOM 989 C PHE A 64 -1.553 -4.292 6.533 1.00 0.00 C ATOM 990 O PHE A 64 -1.854 -3.221 6.044 1.00 0.00 O ATOM 991 CB PHE A 64 -0.359 -5.895 4.981 1.00 0.00 C ATOM 992 CG PHE A 64 -1.116 -5.195 3.874 1.00 0.00 C ATOM 993 CD1 PHE A 64 -2.516 -5.209 3.868 1.00 0.00 C ATOM 994 CD2 PHE A 64 -0.419 -4.533 2.855 1.00 0.00 C ATOM 995 CE1 PHE A 64 -3.219 -4.564 2.845 1.00 0.00 C ATOM 996 CE2 PHE A 64 -1.123 -3.887 1.831 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.523 -3.902 1.827 1.00 0.00 C ATOM 0 H PHE A 64 0.107 -6.867 7.122 1.00 0.00 H new ATOM 0 HA PHE A 64 0.501 -4.170 6.014 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.627 -6.193 4.625 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.882 -6.807 5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.054 -5.718 4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.661 -4.521 2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.299 -4.577 2.841 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.586 -3.377 1.045 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.066 -3.403 1.038 1.00 0.00 H new ATOM 1007 N LYS A 65 -2.356 -4.913 7.356 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.673 -4.308 7.714 1.00 0.00 C ATOM 1009 C LYS A 65 -3.546 -3.413 8.953 1.00 0.00 C ATOM 1010 O LYS A 65 -4.449 -2.667 9.279 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.587 -5.501 8.006 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.935 -5.297 7.310 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.751 -5.411 5.795 1.00 0.00 C ATOM 1014 CE LYS A 65 -7.122 -5.478 5.118 1.00 0.00 C ATOM 1015 NZ LYS A 65 -6.960 -6.467 4.016 1.00 0.00 N ATOM 0 H LYS A 65 -2.157 -5.812 7.795 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.060 -3.675 6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.122 -6.423 7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.733 -5.605 9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.651 -6.042 7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.343 -4.319 7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.190 -4.555 5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.171 -6.302 5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.894 -5.793 5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.420 -4.503 4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.860 -6.567 3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.224 -6.138 3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.683 -7.387 4.413 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.441 -3.482 9.650 1.00 0.00 N ATOM 1030 CA GLN A 66 -2.276 -2.632 10.867 1.00 0.00 C ATOM 1031 C GLN A 66 -1.025 -1.756 10.748 1.00 0.00 C ATOM 1032 O GLN A 66 -1.031 -0.600 11.123 1.00 0.00 O ATOM 1033 CB GLN A 66 -2.125 -3.624 12.023 1.00 0.00 C ATOM 1034 CG GLN A 66 -3.393 -4.478 12.137 1.00 0.00 C ATOM 1035 CD GLN A 66 -4.132 -4.131 13.432 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -4.123 -4.898 14.374 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -4.774 -2.998 13.518 1.00 0.00 N ATOM 0 H GLN A 66 -1.650 -4.087 9.431 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.119 -1.956 11.011 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.258 -4.263 11.856 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.951 -3.087 12.956 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.041 -4.301 11.278 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.133 -5.536 12.128 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.781 -2.354 12.727 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.269 -2.756 14.377 1.00 0.00 H new ATOM 1046 N GLY A 67 0.044 -2.298 10.232 1.00 0.00 N ATOM 1047 CA GLY A 67 1.295 -1.499 10.092 1.00 0.00 C ATOM 1048 C GLY A 67 2.049 -1.500 11.424 1.00 0.00 C ATOM 1049 O GLY A 67 2.340 -0.461 11.984 1.00 0.00 O ATOM 0 H GLY A 67 0.105 -3.261 9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.922 -1.919 9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.056 -0.477 9.797 1.00 0.00 H new ATOM 1053 N ILE A 68 2.366 -2.661 11.934 1.00 0.00 N ATOM 1054 CA ILE A 68 3.100 -2.733 13.234 1.00 0.00 C ATOM 1055 C ILE A 68 3.892 -4.037 13.330 1.00 0.00 C ATOM 1056 O ILE A 68 3.512 -5.049 12.776 1.00 0.00 O ATOM 1057 CB ILE A 68 2.026 -2.691 14.327 1.00 0.00 C ATOM 1058 CG1 ILE A 68 0.777 -3.455 13.871 1.00 0.00 C ATOM 1059 CG2 ILE A 68 1.655 -1.237 14.620 1.00 0.00 C ATOM 1060 CD1 ILE A 68 -0.210 -3.560 15.036 1.00 0.00 C ATOM 0 H ILE A 68 2.149 -3.562 11.508 1.00 0.00 H new ATOM 0 HA ILE A 68 3.811 -1.913 13.333 1.00 0.00 H new ATOM 0 HB ILE A 68 2.419 -3.160 15.229 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.310 -2.942 13.030 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.053 -4.450 13.523 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.891 -1.206 15.397 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.539 -0.697 14.958 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.270 -0.770 13.714 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.098 -4.103 14.713 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.259 -4.092 15.864 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.495 -2.560 15.363 1.00 0.00 H new ATOM 1072 N LEU A 69 4.986 -4.019 14.043 1.00 0.00 N ATOM 1073 CA LEU A 69 5.802 -5.257 14.191 1.00 0.00 C ATOM 1074 C LEU A 69 5.380 -6.001 15.460 1.00 0.00 C ATOM 1075 O LEU A 69 5.981 -5.852 16.506 1.00 0.00 O ATOM 1076 CB LEU A 69 7.249 -4.774 14.310 1.00 0.00 C ATOM 1077 CG LEU A 69 7.915 -4.757 12.931 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.363 -4.286 13.076 1.00 0.00 C ATOM 1079 CD2 LEU A 69 7.899 -6.165 12.323 1.00 0.00 C ATOM 0 H LEU A 69 5.350 -3.199 14.529 1.00 0.00 H new ATOM 0 HA LEU A 69 5.675 -5.942 13.353 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.272 -3.775 14.746 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.804 -5.428 14.982 1.00 0.00 H new ATOM 0 HG LEU A 69 7.367 -4.078 12.277 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.841 -4.272 12.096 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.378 -3.282 13.501 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.903 -4.967 13.734 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.375 -6.143 11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.442 -6.849 12.975 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.869 -6.505 12.219 1.00 0.00 H new