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 Set 1.1: A 31 SER OG : rot 40:sc= 0.188 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.202 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 180:sc= -0.537 USER MOD Single : A 27 THR OG1 : rot -127:sc= -1.7! USER MOD Single : A 28 CYS SG : rot 180:sc= -0.734 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 14:sc= -1.37 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 138:sc= -0.599 USER MOD Single : A 39 THR OG1 : rot -52:sc= 0.718 USER MOD Single : A 45 SER OG : rot 46:sc= 0.687 USER MOD Single : A 46 LYS NZ :NH3+ -114:sc= 1.17 (180deg=-0.762) USER MOD Single : A 50 THR OG1 : rot 83:sc= 1.05 USER MOD Single : A 52 TYR OH : rot 130:sc= -1.21 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 66 GLN : amide:sc= -0.0418 X(o=-0.042,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -4.003 10.577 8.512 1.00 0.00 N ATOM 56 CA TRP A 5 -2.896 9.575 8.572 1.00 0.00 C ATOM 57 C TRP A 5 -2.578 9.234 10.030 1.00 0.00 C ATOM 58 O TRP A 5 -3.032 9.896 10.943 1.00 0.00 O ATOM 59 CB TRP A 5 -1.699 10.266 7.920 1.00 0.00 C ATOM 60 CG TRP A 5 -1.660 9.938 6.462 1.00 0.00 C ATOM 61 CD1 TRP A 5 -2.151 10.723 5.477 1.00 0.00 C ATOM 62 CD2 TRP A 5 -1.111 8.757 5.810 1.00 0.00 C ATOM 63 NE1 TRP A 5 -1.939 10.100 4.261 1.00 0.00 N ATOM 64 CE2 TRP A 5 -1.301 8.884 4.414 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.474 7.598 6.288 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -0.873 7.899 3.524 1.00 0.00 C ATOM 67 CZ3 TRP A 5 -0.042 6.604 5.396 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.241 6.754 4.016 1.00 0.00 C ATOM 0 HA TRP A 5 -3.155 8.643 8.069 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -1.770 11.345 8.058 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -0.775 9.944 8.400 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.631 11.680 5.617 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.219 10.490 3.361 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.316 7.472 7.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.029 8.020 2.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.447 5.718 5.775 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.094 5.986 3.335 1.00 0.00 H new ATOM 79 N LEU A 6 -1.802 8.208 10.255 1.00 0.00 N ATOM 80 CA LEU A 6 -1.455 7.823 11.655 1.00 0.00 C ATOM 81 C LEU A 6 0.031 7.462 11.752 1.00 0.00 C ATOM 82 O LEU A 6 0.670 7.159 10.766 1.00 0.00 O ATOM 83 CB LEU A 6 -2.324 6.601 11.957 1.00 0.00 C ATOM 84 CG LEU A 6 -3.803 6.994 11.902 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.670 5.741 12.035 1.00 0.00 C ATOM 86 CD2 LEU A 6 -4.119 7.955 13.051 1.00 0.00 C ATOM 0 H LEU A 6 -1.393 7.619 9.530 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.632 8.634 12.362 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.121 5.810 11.235 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.080 6.203 12.942 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.013 7.482 10.950 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.723 6.021 11.996 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.446 5.055 11.218 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.460 5.252 12.986 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.172 8.235 13.012 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.908 7.466 14.002 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.502 8.849 12.958 1.00 0.00 H new ATOM 98 N ASP A 7 0.583 7.491 12.936 1.00 0.00 N ATOM 99 CA ASP A 7 2.027 7.147 13.097 1.00 0.00 C ATOM 100 C ASP A 7 2.266 5.692 12.684 1.00 0.00 C ATOM 101 O ASP A 7 1.340 4.916 12.551 1.00 0.00 O ATOM 102 CB ASP A 7 2.321 7.334 14.586 1.00 0.00 C ATOM 103 CG ASP A 7 2.734 8.783 14.847 1.00 0.00 C ATOM 104 OD1 ASP A 7 1.854 9.602 15.056 1.00 0.00 O ATOM 105 OD2 ASP A 7 3.925 9.050 14.832 1.00 0.00 O ATOM 0 H ASP A 7 0.097 7.738 13.798 1.00 0.00 H new ATOM 0 HA ASP A 7 2.671 7.769 12.476 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.439 7.084 15.176 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.116 6.656 14.898 1.00 0.00 H new ATOM 110 N CYS A 8 3.500 5.316 12.477 1.00 0.00 N ATOM 111 CA CYS A 8 3.791 3.911 12.071 1.00 0.00 C ATOM 112 C CYS A 8 5.152 3.465 12.622 1.00 0.00 C ATOM 113 O CYS A 8 6.153 3.541 11.938 1.00 0.00 O ATOM 114 CB CYS A 8 3.812 3.940 10.543 1.00 0.00 C ATOM 115 SG CYS A 8 4.080 2.267 9.906 1.00 0.00 S ATOM 0 H CYS A 8 4.317 5.920 12.571 1.00 0.00 H new ATOM 0 HA CYS A 8 3.052 3.209 12.457 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.870 4.338 10.164 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.602 4.604 10.193 1.00 0.00 H new ATOM 0 HG CYS A 8 4.095 2.295 8.606 1.00 0.00 H new ATOM 121 N PRO A 9 5.141 3.006 13.848 1.00 0.00 N ATOM 122 CA PRO A 9 6.391 2.535 14.498 1.00 0.00 C ATOM 123 C PRO A 9 6.826 1.183 13.937 1.00 0.00 C ATOM 124 O PRO A 9 7.881 0.678 14.266 1.00 0.00 O ATOM 125 CB PRO A 9 6.001 2.380 15.962 1.00 0.00 C ATOM 126 CG PRO A 9 4.520 2.173 15.952 1.00 0.00 C ATOM 127 CD PRO A 9 3.978 2.883 14.739 1.00 0.00 C ATOM 0 HA PRO A 9 7.223 3.221 14.338 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.514 1.534 16.419 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.271 3.265 16.538 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.281 1.110 15.914 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.070 2.569 16.862 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.175 2.315 14.270 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.569 3.860 14.998 1.00 0.00 H new ATOM 135 N ALA A 10 6.015 0.579 13.114 1.00 0.00 N ATOM 136 CA ALA A 10 6.378 -0.754 12.560 1.00 0.00 C ATOM 137 C ALA A 10 7.737 -0.709 11.852 1.00 0.00 C ATOM 138 O ALA A 10 8.364 -1.727 11.640 1.00 0.00 O ATOM 139 CB ALA A 10 5.267 -1.091 11.564 1.00 0.00 C ATOM 0 H ALA A 10 5.118 0.950 12.802 1.00 0.00 H new ATOM 0 HA ALA A 10 6.467 -1.503 13.347 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.465 -2.063 11.113 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.309 -1.121 12.084 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.234 -0.329 10.785 1.00 0.00 H new ATOM 145 N LEU A 11 8.196 0.453 11.474 1.00 0.00 N ATOM 146 CA LEU A 11 9.511 0.537 10.775 1.00 0.00 C ATOM 147 C LEU A 11 10.436 1.535 11.480 1.00 0.00 C ATOM 148 O LEU A 11 11.447 1.162 12.042 1.00 0.00 O ATOM 149 CB LEU A 11 9.171 1.016 9.366 1.00 0.00 C ATOM 150 CG LEU A 11 8.309 -0.041 8.670 1.00 0.00 C ATOM 151 CD1 LEU A 11 6.853 0.429 8.628 1.00 0.00 C ATOM 152 CD2 LEU A 11 8.817 -0.252 7.243 1.00 0.00 C ATOM 0 H LEU A 11 7.721 1.344 11.618 1.00 0.00 H new ATOM 0 HA LEU A 11 10.037 -0.418 10.769 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.638 1.966 9.410 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.085 1.190 8.797 1.00 0.00 H new ATOM 0 HG LEU A 11 8.370 -0.979 9.222 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.241 -0.325 8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.490 0.580 9.645 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.789 1.367 8.077 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.204 -1.004 6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.756 0.687 6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.853 -0.589 7.272 1.00 0.00 H new ATOM 164 N GLY A 12 10.102 2.799 11.453 1.00 0.00 N ATOM 165 CA GLY A 12 10.970 3.812 12.121 1.00 0.00 C ATOM 166 C GLY A 12 10.282 5.181 12.101 1.00 0.00 C ATOM 167 O GLY A 12 9.099 5.276 11.838 1.00 0.00 O ATOM 0 H GLY A 12 9.268 3.172 10.999 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.171 3.511 13.149 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.932 3.871 11.613 1.00 0.00 H new ATOM 171 N PRO A 13 11.051 6.203 12.383 1.00 0.00 N ATOM 172 CA PRO A 13 10.507 7.584 12.399 1.00 0.00 C ATOM 173 C PRO A 13 10.250 8.081 10.974 1.00 0.00 C ATOM 174 O PRO A 13 11.078 7.935 10.096 1.00 0.00 O ATOM 175 CB PRO A 13 11.611 8.398 13.067 1.00 0.00 C ATOM 176 CG PRO A 13 12.868 7.625 12.821 1.00 0.00 C ATOM 177 CD PRO A 13 12.484 6.172 12.711 1.00 0.00 C ATOM 0 HA PRO A 13 9.553 7.659 12.920 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.675 9.400 12.642 1.00 0.00 H new ATOM 0 HB3 PRO A 13 11.423 8.516 14.134 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.355 7.964 11.907 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.577 7.775 13.635 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.059 5.665 11.936 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.668 5.639 13.644 1.00 0.00 H new ATOM 185 N GLY A 14 9.107 8.668 10.740 1.00 0.00 N ATOM 186 CA GLY A 14 8.787 9.179 9.377 1.00 0.00 C ATOM 187 C GLY A 14 7.656 8.341 8.773 1.00 0.00 C ATOM 188 O GLY A 14 6.852 8.826 8.000 1.00 0.00 O ATOM 0 H GLY A 14 8.378 8.816 11.438 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.490 10.227 9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.671 9.130 8.741 1.00 0.00 H new ATOM 192 N TRP A 15 7.606 7.077 9.104 1.00 0.00 N ATOM 193 CA TRP A 15 6.549 6.186 8.536 1.00 0.00 C ATOM 194 C TRP A 15 5.149 6.638 8.960 1.00 0.00 C ATOM 195 O TRP A 15 4.945 7.139 10.048 1.00 0.00 O ATOM 196 CB TRP A 15 6.852 4.800 9.107 1.00 0.00 C ATOM 197 CG TRP A 15 8.025 4.214 8.392 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.307 4.279 8.816 1.00 0.00 C ATOM 199 CD2 TRP A 15 8.044 3.476 7.137 1.00 0.00 C ATOM 200 NE1 TRP A 15 10.114 3.628 7.901 1.00 0.00 N ATOM 201 CE2 TRP A 15 9.382 3.116 6.848 1.00 0.00 C ATOM 202 CE3 TRP A 15 7.042 3.087 6.228 1.00 0.00 C ATOM 203 CZ2 TRP A 15 9.716 2.397 5.702 1.00 0.00 C ATOM 204 CZ3 TRP A 15 7.375 2.364 5.072 1.00 0.00 C ATOM 205 CH2 TRP A 15 8.709 2.020 4.810 1.00 0.00 C ATOM 0 H TRP A 15 8.254 6.621 9.746 1.00 0.00 H new ATOM 0 HA TRP A 15 6.559 6.202 7.446 1.00 0.00 H new ATOM 0 HB2 TRP A 15 7.062 4.872 10.174 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.983 4.151 8.996 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.646 4.761 9.721 1.00 0.00 H new ATOM 0 HE1 TRP A 15 11.126 3.537 7.993 1.00 0.00 H new ATOM 0 HE3 TRP A 15 6.012 3.346 6.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.745 2.133 5.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.599 2.071 4.380 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.958 1.464 3.919 1.00 0.00 H new ATOM 216 N LYS A 16 4.182 6.442 8.102 1.00 0.00 N ATOM 217 CA LYS A 16 2.780 6.833 8.433 1.00 0.00 C ATOM 218 C LYS A 16 1.820 5.733 7.964 1.00 0.00 C ATOM 219 O LYS A 16 2.121 4.991 7.049 1.00 0.00 O ATOM 220 CB LYS A 16 2.532 8.130 7.657 1.00 0.00 C ATOM 221 CG LYS A 16 3.303 9.280 8.315 1.00 0.00 C ATOM 222 CD LYS A 16 2.322 10.212 9.033 1.00 0.00 C ATOM 223 CE LYS A 16 2.870 11.642 9.017 1.00 0.00 C ATOM 224 NZ LYS A 16 2.629 12.163 10.392 1.00 0.00 N ATOM 0 H LYS A 16 4.305 6.025 7.179 1.00 0.00 H new ATOM 0 HA LYS A 16 2.623 6.970 9.503 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.850 8.012 6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.466 8.357 7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.030 8.885 9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.862 9.835 7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.348 10.179 8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.174 9.880 10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.932 11.655 8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.362 12.251 8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.979 13.140 10.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.609 12.145 10.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.131 11.568 11.082 1.00 0.00 H new ATOM 238 N ARG A 17 0.673 5.615 8.580 1.00 0.00 N ATOM 239 CA ARG A 17 -0.290 4.553 8.159 1.00 0.00 C ATOM 240 C ARG A 17 -1.694 5.138 7.967 1.00 0.00 C ATOM 241 O ARG A 17 -2.167 5.928 8.762 1.00 0.00 O ATOM 242 CB ARG A 17 -0.286 3.528 9.301 1.00 0.00 C ATOM 243 CG ARG A 17 -1.514 2.615 9.181 1.00 0.00 C ATOM 244 CD ARG A 17 -1.203 1.241 9.779 1.00 0.00 C ATOM 245 NE ARG A 17 -1.492 1.379 11.234 1.00 0.00 N ATOM 246 CZ ARG A 17 -0.692 2.072 11.997 1.00 0.00 C ATOM 247 NH1 ARG A 17 0.598 1.878 11.937 1.00 0.00 N ATOM 248 NH2 ARG A 17 -1.180 2.958 12.822 1.00 0.00 N ATOM 0 H ARG A 17 0.362 6.204 9.352 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.006 4.104 7.207 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.626 2.933 9.265 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.295 4.041 10.263 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.363 3.063 9.698 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.798 2.510 8.134 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.820 0.465 9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.163 0.962 9.608 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.316 0.931 11.634 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.980 1.185 11.294 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.223 2.420 12.533 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.188 3.109 12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.554 3.499 13.418 1.00 0.00 H new ATOM 262 N ARG A 18 -2.366 4.731 6.925 1.00 0.00 N ATOM 263 CA ARG A 18 -3.746 5.228 6.672 1.00 0.00 C ATOM 264 C ARG A 18 -4.618 4.077 6.165 1.00 0.00 C ATOM 265 O ARG A 18 -4.222 3.326 5.295 1.00 0.00 O ATOM 266 CB ARG A 18 -3.601 6.306 5.598 1.00 0.00 C ATOM 267 CG ARG A 18 -4.968 6.938 5.323 1.00 0.00 C ATOM 268 CD ARG A 18 -5.486 7.615 6.595 1.00 0.00 C ATOM 269 NE ARG A 18 -6.732 6.878 6.946 1.00 0.00 N ATOM 270 CZ ARG A 18 -7.148 6.848 8.184 1.00 0.00 C ATOM 271 NH1 ARG A 18 -6.310 6.584 9.149 1.00 0.00 N ATOM 272 NH2 ARG A 18 -8.403 7.081 8.456 1.00 0.00 N ATOM 0 H ARG A 18 -2.014 4.070 6.233 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.217 5.624 7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.895 7.069 5.926 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.198 5.871 4.683 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.887 7.668 4.518 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.673 6.175 4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.753 7.556 7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.688 8.672 6.425 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.261 6.396 6.219 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.329 6.401 8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.636 6.561 10.115 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.059 7.286 7.702 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.728 7.058 9.422 1.00 0.00 H new ATOM 286 N GLU A 19 -5.798 3.928 6.703 1.00 0.00 N ATOM 287 CA GLU A 19 -6.687 2.818 6.251 1.00 0.00 C ATOM 288 C GLU A 19 -7.727 3.343 5.259 1.00 0.00 C ATOM 289 O GLU A 19 -8.301 4.399 5.442 1.00 0.00 O ATOM 290 CB GLU A 19 -7.361 2.301 7.525 1.00 0.00 C ATOM 291 CG GLU A 19 -6.912 0.862 7.794 1.00 0.00 C ATOM 292 CD GLU A 19 -7.609 0.336 9.050 1.00 0.00 C ATOM 293 OE1 GLU A 19 -8.819 0.469 9.133 1.00 0.00 O ATOM 294 OE2 GLU A 19 -6.920 -0.190 9.910 1.00 0.00 O ATOM 0 H GLU A 19 -6.185 4.525 7.434 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.135 2.029 5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.101 2.938 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.445 2.341 7.417 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.153 0.229 6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.830 0.825 7.923 1.00 0.00 H new ATOM 301 N VAL A 20 -7.963 2.612 4.204 1.00 0.00 N ATOM 302 CA VAL A 20 -8.956 3.055 3.183 1.00 0.00 C ATOM 303 C VAL A 20 -10.124 2.067 3.128 1.00 0.00 C ATOM 304 O VAL A 20 -10.000 0.984 2.593 1.00 0.00 O ATOM 305 CB VAL A 20 -8.198 3.043 1.851 1.00 0.00 C ATOM 306 CG1 VAL A 20 -9.018 3.775 0.788 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.844 3.742 2.016 1.00 0.00 C ATOM 0 H VAL A 20 -7.508 1.721 4.004 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.367 4.038 3.411 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.036 2.010 1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.478 3.766 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.979 3.276 0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.183 4.806 1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.310 3.730 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.003 4.774 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.255 3.220 2.770 1.00 0.00 H new ATOM 317 N PHE A 21 -11.258 2.426 3.671 1.00 0.00 N ATOM 318 CA PHE A 21 -12.429 1.496 3.646 1.00 0.00 C ATOM 319 C PHE A 21 -13.216 1.658 2.340 1.00 0.00 C ATOM 320 O PHE A 21 -14.429 1.580 2.327 1.00 0.00 O ATOM 321 CB PHE A 21 -13.290 1.910 4.844 1.00 0.00 C ATOM 322 CG PHE A 21 -13.416 0.750 5.804 1.00 0.00 C ATOM 323 CD1 PHE A 21 -13.996 -0.451 5.378 1.00 0.00 C ATOM 324 CD2 PHE A 21 -12.954 0.877 7.119 1.00 0.00 C ATOM 325 CE1 PHE A 21 -14.114 -1.525 6.267 1.00 0.00 C ATOM 326 CE2 PHE A 21 -13.071 -0.196 8.008 1.00 0.00 C ATOM 327 CZ PHE A 21 -13.652 -1.397 7.582 1.00 0.00 C ATOM 0 H PHE A 21 -11.425 3.321 4.130 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.123 0.451 3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.841 2.765 5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.277 2.223 4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -14.352 -0.548 4.363 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.507 1.804 7.447 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.561 -2.452 5.939 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.714 -0.099 9.022 1.00 0.00 H new ATOM 0 HZ PHE A 21 -13.744 -2.225 8.269 1.00 0.00 H new ATOM 337 N ARG A 22 -12.532 1.865 1.244 1.00 0.00 N ATOM 338 CA ARG A 22 -13.216 2.024 -0.075 1.00 0.00 C ATOM 339 C ARG A 22 -14.326 3.080 -0.006 1.00 0.00 C ATOM 340 O ARG A 22 -14.790 3.452 1.055 1.00 0.00 O ATOM 341 CB ARG A 22 -13.803 0.652 -0.379 1.00 0.00 C ATOM 342 CG ARG A 22 -12.784 -0.165 -1.171 1.00 0.00 C ATOM 343 CD ARG A 22 -12.825 0.250 -2.642 1.00 0.00 C ATOM 344 NE ARG A 22 -11.403 0.417 -3.026 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.647 -0.632 -3.204 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.628 -1.232 -4.359 1.00 0.00 N ATOM 347 NH2 ARG A 22 -9.910 -1.079 -2.223 1.00 0.00 N ATOM 0 H ARG A 22 -11.515 1.931 1.207 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.525 2.362 -0.847 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.057 0.138 0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.726 0.756 -0.949 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.784 -0.009 -0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.003 -1.229 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.314 -0.508 -3.254 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.383 1.177 -2.777 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.015 1.352 -3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.204 -0.882 -5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.037 -2.052 -4.498 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.925 -0.608 -1.318 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.319 -1.899 -2.362 1.00 0.00 H new ATOM 361 N LYS A 23 -14.755 3.567 -1.137 1.00 0.00 N ATOM 362 CA LYS A 23 -15.834 4.593 -1.149 1.00 0.00 C ATOM 363 C LYS A 23 -16.960 4.172 -2.099 1.00 0.00 C ATOM 364 O LYS A 23 -18.118 4.435 -1.843 1.00 0.00 O ATOM 365 CB LYS A 23 -15.164 5.877 -1.648 1.00 0.00 C ATOM 366 CG LYS A 23 -15.298 6.977 -0.590 1.00 0.00 C ATOM 367 CD LYS A 23 -13.938 7.224 0.068 1.00 0.00 C ATOM 368 CE LYS A 23 -13.647 6.109 1.073 1.00 0.00 C ATOM 369 NZ LYS A 23 -12.641 6.688 2.007 1.00 0.00 N ATOM 0 H LYS A 23 -14.404 3.298 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.283 4.725 -0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.111 5.690 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.625 6.200 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.663 7.895 -1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.030 6.684 0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.156 7.257 -0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.936 8.191 0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.551 5.809 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.259 5.220 0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.390 5.982 2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.789 6.958 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.041 7.529 2.471 1.00 0.00 H new ATOM 383 N SER A 24 -16.632 3.514 -3.191 1.00 0.00 N ATOM 384 CA SER A 24 -17.694 3.074 -4.164 1.00 0.00 C ATOM 385 C SER A 24 -17.072 2.637 -5.496 1.00 0.00 C ATOM 386 O SER A 24 -15.871 2.509 -5.623 1.00 0.00 O ATOM 387 CB SER A 24 -18.590 4.298 -4.397 1.00 0.00 C ATOM 388 OG SER A 24 -17.802 5.481 -4.336 1.00 0.00 O ATOM 0 H SER A 24 -15.678 3.263 -3.451 1.00 0.00 H new ATOM 0 HA SER A 24 -18.250 2.224 -3.769 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.080 4.224 -5.368 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.378 4.334 -3.645 1.00 0.00 H new ATOM 0 HG SER A 24 -18.373 6.263 -4.486 1.00 0.00 H new ATOM 394 N GLY A 25 -17.895 2.418 -6.492 1.00 0.00 N ATOM 395 CA GLY A 25 -17.375 1.999 -7.827 1.00 0.00 C ATOM 396 C GLY A 25 -17.670 0.515 -8.059 1.00 0.00 C ATOM 397 O GLY A 25 -18.309 0.138 -9.021 1.00 0.00 O ATOM 0 H GLY A 25 -18.909 2.512 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.838 2.598 -8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.301 2.178 -7.881 1.00 0.00 H new ATOM 401 N ALA A 26 -17.190 -0.326 -7.186 1.00 0.00 N ATOM 402 CA ALA A 26 -17.407 -1.798 -7.330 1.00 0.00 C ATOM 403 C ALA A 26 -16.684 -2.507 -6.188 1.00 0.00 C ATOM 404 O ALA A 26 -17.170 -3.460 -5.611 1.00 0.00 O ATOM 405 CB ALA A 26 -16.775 -2.168 -8.674 1.00 0.00 C ATOM 0 H ALA A 26 -16.648 -0.054 -6.366 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.459 -2.082 -7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.895 -3.237 -8.850 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.266 -1.611 -9.472 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.714 -1.920 -8.658 1.00 0.00 H new ATOM 411 N THR A 27 -15.525 -2.014 -5.853 1.00 0.00 N ATOM 412 CA THR A 27 -14.731 -2.596 -4.738 1.00 0.00 C ATOM 413 C THR A 27 -15.191 -1.979 -3.407 1.00 0.00 C ATOM 414 O THR A 27 -14.573 -2.167 -2.378 1.00 0.00 O ATOM 415 CB THR A 27 -13.284 -2.191 -5.058 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.225 -0.786 -5.285 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.807 -2.935 -6.312 1.00 0.00 C ATOM 0 H THR A 27 -15.087 -1.217 -6.315 1.00 0.00 H new ATOM 0 HA THR A 27 -14.842 -3.676 -4.644 1.00 0.00 H new ATOM 0 HB THR A 27 -12.640 -2.451 -4.218 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.791 -0.612 -6.146 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.780 -2.647 -6.538 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.852 -4.010 -6.136 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.450 -2.678 -7.154 1.00 0.00 H new ATOM 425 N CYS A 28 -16.268 -1.230 -3.431 1.00 0.00 N ATOM 426 CA CYS A 28 -16.779 -0.579 -2.187 1.00 0.00 C ATOM 427 C CYS A 28 -16.878 -1.578 -1.033 1.00 0.00 C ATOM 428 O CYS A 28 -17.407 -2.662 -1.180 1.00 0.00 O ATOM 429 CB CYS A 28 -18.172 -0.068 -2.554 1.00 0.00 C ATOM 430 SG CYS A 28 -18.694 1.181 -1.351 1.00 0.00 S ATOM 0 H CYS A 28 -16.819 -1.041 -4.269 1.00 0.00 H new ATOM 0 HA CYS A 28 -16.112 0.215 -1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.162 0.359 -3.557 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -18.882 -0.895 -2.567 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.878 1.617 -1.664 1.00 0.00 H new ATOM 436 N GLY A 29 -16.388 -1.208 0.120 1.00 0.00 N ATOM 437 CA GLY A 29 -16.471 -2.127 1.294 1.00 0.00 C ATOM 438 C GLY A 29 -15.125 -2.818 1.536 1.00 0.00 C ATOM 439 O GLY A 29 -14.946 -3.505 2.523 1.00 0.00 O ATOM 0 H GLY A 29 -15.935 -0.312 0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.762 -1.566 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.244 -2.876 1.122 1.00 0.00 H new ATOM 443 N ARG A 30 -14.176 -2.646 0.654 1.00 0.00 N ATOM 444 CA ARG A 30 -12.849 -3.298 0.856 1.00 0.00 C ATOM 445 C ARG A 30 -11.921 -2.346 1.616 1.00 0.00 C ATOM 446 O ARG A 30 -11.767 -1.196 1.251 1.00 0.00 O ATOM 447 CB ARG A 30 -12.318 -3.579 -0.553 1.00 0.00 C ATOM 448 CG ARG A 30 -12.628 -5.027 -0.942 1.00 0.00 C ATOM 449 CD ARG A 30 -14.145 -5.240 -0.972 1.00 0.00 C ATOM 450 NE ARG A 30 -14.351 -6.438 -1.833 1.00 0.00 N ATOM 451 CZ ARG A 30 -15.548 -6.940 -1.974 1.00 0.00 C ATOM 452 NH1 ARG A 30 -16.140 -7.511 -0.961 1.00 0.00 N ATOM 453 NH2 ARG A 30 -16.153 -6.872 -3.128 1.00 0.00 N ATOM 0 H ARG A 30 -14.262 -2.085 -0.194 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.915 -4.215 1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.775 -2.895 -1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.243 -3.405 -0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.200 -5.251 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.169 -5.712 -0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.540 -5.402 0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.658 -4.369 -1.379 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.558 -6.865 -2.312 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.668 -7.565 -0.059 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -17.075 -7.903 -1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.691 -6.426 -3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.088 -7.264 -3.237 1.00 0.00 H new ATOM 467 N SER A 31 -11.316 -2.809 2.677 1.00 0.00 N ATOM 468 CA SER A 31 -10.415 -1.922 3.469 1.00 0.00 C ATOM 469 C SER A 31 -8.947 -2.174 3.115 1.00 0.00 C ATOM 470 O SER A 31 -8.452 -3.280 3.212 1.00 0.00 O ATOM 471 CB SER A 31 -10.685 -2.290 4.927 1.00 0.00 C ATOM 472 OG SER A 31 -10.707 -3.705 5.059 1.00 0.00 O ATOM 0 H SER A 31 -11.406 -3.762 3.029 1.00 0.00 H new ATOM 0 HA SER A 31 -10.603 -0.868 3.266 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.914 -1.865 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.637 -1.868 5.250 1.00 0.00 H new ATOM 0 HG SER A 31 -10.003 -4.097 4.501 1.00 0.00 H new ATOM 478 N ASP A 32 -8.248 -1.145 2.715 1.00 0.00 N ATOM 479 CA ASP A 32 -6.807 -1.300 2.362 1.00 0.00 C ATOM 480 C ASP A 32 -5.967 -0.335 3.196 1.00 0.00 C ATOM 481 O ASP A 32 -6.252 0.841 3.270 1.00 0.00 O ATOM 482 CB ASP A 32 -6.719 -0.952 0.875 1.00 0.00 C ATOM 483 CG ASP A 32 -7.130 -2.167 0.040 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.112 -2.799 0.393 1.00 0.00 O ATOM 485 OD2 ASP A 32 -6.456 -2.443 -0.939 1.00 0.00 O ATOM 0 H ASP A 32 -8.616 -0.199 2.617 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.433 -2.305 2.559 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.369 -0.106 0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.703 -0.650 0.621 1.00 0.00 H new ATOM 490 N THR A 33 -4.934 -0.822 3.827 1.00 0.00 N ATOM 491 CA THR A 33 -4.087 0.074 4.664 1.00 0.00 C ATOM 492 C THR A 33 -2.843 0.506 3.885 1.00 0.00 C ATOM 493 O THR A 33 -2.033 -0.306 3.485 1.00 0.00 O ATOM 494 CB THR A 33 -3.699 -0.770 5.881 1.00 0.00 C ATOM 495 OG1 THR A 33 -4.874 -1.307 6.473 1.00 0.00 O ATOM 496 CG2 THR A 33 -2.967 0.104 6.900 1.00 0.00 C ATOM 0 H THR A 33 -4.640 -1.798 3.800 1.00 0.00 H new ATOM 0 HA THR A 33 -4.609 0.986 4.953 1.00 0.00 H new ATOM 0 HB THR A 33 -3.043 -1.582 5.567 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.629 -1.849 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.692 -0.499 7.765 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.067 0.517 6.445 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.620 0.917 7.217 1.00 0.00 H new ATOM 504 N TYR A 34 -2.697 1.785 3.664 1.00 0.00 N ATOM 505 CA TYR A 34 -1.515 2.289 2.909 1.00 0.00 C ATOM 506 C TYR A 34 -0.483 2.869 3.878 1.00 0.00 C ATOM 507 O TYR A 34 -0.821 3.324 4.954 1.00 0.00 O ATOM 508 CB TYR A 34 -2.074 3.382 2.001 1.00 0.00 C ATOM 509 CG TYR A 34 -2.947 2.751 0.945 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.239 2.314 1.268 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.463 2.601 -0.358 1.00 0.00 C ATOM 512 CE1 TYR A 34 -5.042 1.726 0.284 1.00 0.00 C ATOM 513 CE2 TYR A 34 -3.267 2.014 -1.340 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.556 1.576 -1.019 1.00 0.00 C ATOM 515 OH TYR A 34 -5.349 0.996 -1.989 1.00 0.00 O ATOM 0 H TYR A 34 -3.349 2.505 3.976 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.012 1.504 2.343 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.651 4.098 2.586 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.259 3.935 1.534 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.614 2.431 2.274 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.468 2.939 -0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.038 1.388 0.531 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.893 1.899 -2.346 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.860 0.969 -2.838 1.00 0.00 H new ATOM 525 N TYR A 35 0.771 2.861 3.509 1.00 0.00 N ATOM 526 CA TYR A 35 1.817 3.417 4.421 1.00 0.00 C ATOM 527 C TYR A 35 2.849 4.209 3.621 1.00 0.00 C ATOM 528 O TYR A 35 3.208 3.844 2.518 1.00 0.00 O ATOM 529 CB TYR A 35 2.503 2.214 5.090 1.00 0.00 C ATOM 530 CG TYR A 35 1.583 1.017 5.122 1.00 0.00 C ATOM 531 CD1 TYR A 35 1.453 0.206 3.989 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.864 0.718 6.283 1.00 0.00 C ATOM 533 CE1 TYR A 35 0.603 -0.904 4.017 1.00 0.00 C ATOM 534 CE2 TYR A 35 0.014 -0.393 6.313 1.00 0.00 C ATOM 535 CZ TYR A 35 -0.117 -1.204 5.179 1.00 0.00 C ATOM 536 OH TYR A 35 -0.956 -2.297 5.204 1.00 0.00 O ATOM 0 H TYR A 35 1.116 2.496 2.621 1.00 0.00 H new ATOM 0 HA TYR A 35 1.372 4.087 5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.415 1.962 4.548 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.799 2.478 6.106 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.009 0.437 3.093 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.965 1.345 7.157 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.502 -1.529 3.142 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.541 -0.625 7.210 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.764 -2.875 4.436 1.00 0.00 H new ATOM 546 N GLN A 36 3.347 5.276 4.180 1.00 0.00 N ATOM 547 CA GLN A 36 4.379 6.077 3.468 1.00 0.00 C ATOM 548 C GLN A 36 5.721 5.889 4.172 1.00 0.00 C ATOM 549 O GLN A 36 5.785 5.802 5.383 1.00 0.00 O ATOM 550 CB GLN A 36 3.915 7.531 3.572 1.00 0.00 C ATOM 551 CG GLN A 36 4.901 8.438 2.828 1.00 0.00 C ATOM 552 CD GLN A 36 4.591 9.902 3.148 1.00 0.00 C ATOM 553 OE1 GLN A 36 3.696 10.485 2.569 1.00 0.00 O ATOM 554 NE2 GLN A 36 5.298 10.524 4.052 1.00 0.00 N ATOM 0 H GLN A 36 3.083 5.628 5.100 1.00 0.00 H new ATOM 0 HA GLN A 36 4.501 5.778 2.427 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.917 7.636 3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.849 7.829 4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.923 8.199 3.121 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.829 8.267 1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.049 10.034 4.538 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.099 11.500 4.273 1.00 0.00 H new ATOM 563 N SER A 37 6.791 5.818 3.427 1.00 0.00 N ATOM 564 CA SER A 37 8.130 5.629 4.061 1.00 0.00 C ATOM 565 C SER A 37 8.377 6.722 5.104 1.00 0.00 C ATOM 566 O SER A 37 7.499 7.516 5.381 1.00 0.00 O ATOM 567 CB SER A 37 9.125 5.729 2.913 1.00 0.00 C ATOM 568 OG SER A 37 9.428 7.097 2.665 1.00 0.00 O ATOM 0 H SER A 37 6.797 5.882 2.409 1.00 0.00 H new ATOM 0 HA SER A 37 8.216 4.676 4.584 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.036 5.183 3.158 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.709 5.269 2.016 1.00 0.00 H new ATOM 0 HG SER A 37 10.389 7.195 2.500 1.00 0.00 H new ATOM 574 N PRO A 38 9.555 6.726 5.670 1.00 0.00 N ATOM 575 CA PRO A 38 9.869 7.724 6.699 1.00 0.00 C ATOM 576 C PRO A 38 10.321 9.046 6.084 1.00 0.00 C ATOM 577 O PRO A 38 10.485 10.025 6.786 1.00 0.00 O ATOM 578 CB PRO A 38 10.993 7.078 7.496 1.00 0.00 C ATOM 579 CG PRO A 38 11.642 6.106 6.563 1.00 0.00 C ATOM 580 CD PRO A 38 10.687 5.829 5.423 1.00 0.00 C ATOM 0 HA PRO A 38 9.003 7.976 7.311 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.707 7.825 7.842 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.606 6.573 8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.579 6.513 6.183 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.885 5.182 7.087 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.151 6.031 4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.372 4.785 5.413 1.00 0.00 H new ATOM 588 N THR A 39 10.529 9.108 4.791 1.00 0.00 N ATOM 589 CA THR A 39 10.972 10.411 4.213 1.00 0.00 C ATOM 590 C THR A 39 10.902 10.436 2.678 1.00 0.00 C ATOM 591 O THR A 39 11.816 10.894 2.022 1.00 0.00 O ATOM 592 CB THR A 39 12.413 10.570 4.701 1.00 0.00 C ATOM 593 OG1 THR A 39 12.921 11.826 4.275 1.00 0.00 O ATOM 594 CG2 THR A 39 13.280 9.444 4.133 1.00 0.00 C ATOM 0 H THR A 39 10.415 8.339 4.131 1.00 0.00 H new ATOM 0 HA THR A 39 10.322 11.227 4.530 1.00 0.00 H new ATOM 0 HB THR A 39 12.433 10.521 5.790 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.789 11.921 3.309 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.305 9.562 4.484 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.891 8.482 4.466 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.262 9.485 3.044 1.00 0.00 H new ATOM 602 N GLY A 40 9.811 9.997 2.101 1.00 0.00 N ATOM 603 CA GLY A 40 9.688 10.060 0.612 1.00 0.00 C ATOM 604 C GLY A 40 9.649 8.664 -0.019 1.00 0.00 C ATOM 605 O GLY A 40 10.663 8.117 -0.403 1.00 0.00 O ATOM 0 H GLY A 40 9.008 9.602 2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.782 10.604 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.528 10.620 0.202 1.00 0.00 H new ATOM 609 N ASP A 41 8.470 8.110 -0.158 1.00 0.00 N ATOM 610 CA ASP A 41 8.303 6.761 -0.798 1.00 0.00 C ATOM 611 C ASP A 41 6.903 6.228 -0.486 1.00 0.00 C ATOM 612 O ASP A 41 6.602 5.868 0.636 1.00 0.00 O ATOM 613 CB ASP A 41 9.373 5.843 -0.195 1.00 0.00 C ATOM 614 CG ASP A 41 10.437 5.532 -1.251 1.00 0.00 C ATOM 615 OD1 ASP A 41 10.059 5.219 -2.368 1.00 0.00 O ATOM 616 OD2 ASP A 41 11.609 5.613 -0.925 1.00 0.00 O ATOM 0 H ASP A 41 7.598 8.541 0.150 1.00 0.00 H new ATOM 0 HA ASP A 41 8.415 6.813 -1.881 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.833 6.322 0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.916 4.919 0.159 1.00 0.00 H new ATOM 621 N ARG A 42 6.040 6.188 -1.466 1.00 0.00 N ATOM 622 CA ARG A 42 4.651 5.696 -1.222 1.00 0.00 C ATOM 623 C ARG A 42 4.611 4.167 -1.194 1.00 0.00 C ATOM 624 O ARG A 42 4.874 3.508 -2.180 1.00 0.00 O ATOM 625 CB ARG A 42 3.829 6.235 -2.393 1.00 0.00 C ATOM 626 CG ARG A 42 3.576 7.730 -2.193 1.00 0.00 C ATOM 627 CD ARG A 42 2.646 7.936 -0.994 1.00 0.00 C ATOM 628 NE ARG A 42 1.416 8.553 -1.564 1.00 0.00 N ATOM 629 CZ ARG A 42 0.553 7.816 -2.205 1.00 0.00 C ATOM 630 NH1 ARG A 42 -0.347 7.140 -1.544 1.00 0.00 N ATOM 631 NH2 ARG A 42 0.588 7.754 -3.507 1.00 0.00 N ATOM 0 H ARG A 42 6.236 6.475 -2.425 1.00 0.00 H new ATOM 0 HA ARG A 42 4.264 6.031 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.359 6.067 -3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.881 5.701 -2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.520 8.250 -2.028 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.129 8.157 -3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.421 6.990 -0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.103 8.584 -0.246 1.00 0.00 H new ATOM 0 HE ARG A 42 1.249 9.553 -1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.375 7.188 -0.526 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.022 6.563 -2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.291 8.282 -4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.087 7.177 -4.008 1.00 0.00 H new ATOM 645 N ILE A 43 4.269 3.602 -0.067 1.00 0.00 N ATOM 646 CA ILE A 43 4.190 2.117 0.044 1.00 0.00 C ATOM 647 C ILE A 43 2.728 1.706 0.254 1.00 0.00 C ATOM 648 O ILE A 43 1.948 2.443 0.825 1.00 0.00 O ATOM 649 CB ILE A 43 5.062 1.776 1.258 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.530 1.791 0.827 1.00 0.00 C ATOM 651 CG2 ILE A 43 4.705 0.389 1.810 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.427 1.766 2.063 1.00 0.00 C ATOM 0 H ILE A 43 4.039 4.110 0.787 1.00 0.00 H new ATOM 0 HA ILE A 43 4.536 1.591 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 43 4.888 2.513 2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.742 0.930 0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.736 2.682 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.335 0.167 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.658 0.377 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.867 -0.363 1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.472 1.777 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.222 2.641 2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.228 0.862 2.639 1.00 0.00 H new ATOM 664 N ARG A 44 2.344 0.550 -0.221 1.00 0.00 N ATOM 665 CA ARG A 44 0.923 0.125 -0.059 1.00 0.00 C ATOM 666 C ARG A 44 0.819 -1.342 0.378 1.00 0.00 C ATOM 667 O ARG A 44 -0.266 -1.880 0.482 1.00 0.00 O ATOM 668 CB ARG A 44 0.298 0.304 -1.445 1.00 0.00 C ATOM 669 CG ARG A 44 0.631 1.692 -1.995 1.00 0.00 C ATOM 670 CD ARG A 44 -0.075 1.891 -3.337 1.00 0.00 C ATOM 671 NE ARG A 44 0.278 3.275 -3.749 1.00 0.00 N ATOM 672 CZ ARG A 44 0.445 3.559 -5.012 1.00 0.00 C ATOM 673 NH1 ARG A 44 1.526 3.165 -5.630 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.465 4.235 -5.656 1.00 0.00 N ATOM 0 H ARG A 44 2.947 -0.112 -0.710 1.00 0.00 H new ATOM 0 HA ARG A 44 0.420 0.710 0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.671 -0.464 -2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.783 0.178 -1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.316 2.460 -1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.709 1.797 -2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.261 1.161 -4.073 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.154 1.770 -3.238 1.00 0.00 H new ATOM 0 HE ARG A 44 0.390 4.004 -3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.238 2.636 -5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.658 3.386 -6.617 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.309 4.543 -5.173 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.333 4.456 -6.643 1.00 0.00 H new ATOM 688 N SER A 45 1.921 -2.000 0.633 1.00 0.00 N ATOM 689 CA SER A 45 1.831 -3.430 1.056 1.00 0.00 C ATOM 690 C SER A 45 3.143 -3.899 1.694 1.00 0.00 C ATOM 691 O SER A 45 3.969 -3.104 2.095 1.00 0.00 O ATOM 692 CB SER A 45 1.546 -4.201 -0.232 1.00 0.00 C ATOM 693 OG SER A 45 0.165 -4.535 -0.283 1.00 0.00 O ATOM 0 H SER A 45 2.864 -1.617 0.568 1.00 0.00 H new ATOM 0 HA SER A 45 1.058 -3.585 1.808 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.819 -3.598 -1.098 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.153 -5.106 -0.270 1.00 0.00 H new ATOM 0 HG SER A 45 -0.370 -3.750 -0.042 1.00 0.00 H new ATOM 699 N LYS A 46 3.334 -5.191 1.792 1.00 0.00 N ATOM 700 CA LYS A 46 4.585 -5.722 2.405 1.00 0.00 C ATOM 701 C LYS A 46 5.747 -5.554 1.429 1.00 0.00 C ATOM 702 O LYS A 46 6.804 -5.069 1.784 1.00 0.00 O ATOM 703 CB LYS A 46 4.301 -7.203 2.666 1.00 0.00 C ATOM 704 CG LYS A 46 5.571 -7.899 3.168 1.00 0.00 C ATOM 705 CD LYS A 46 5.256 -8.698 4.436 1.00 0.00 C ATOM 706 CE LYS A 46 5.816 -7.962 5.655 1.00 0.00 C ATOM 707 NZ LYS A 46 4.956 -8.392 6.794 1.00 0.00 N ATOM 0 H LYS A 46 2.675 -5.901 1.472 1.00 0.00 H new ATOM 0 HA LYS A 46 4.860 -5.200 3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.505 -7.305 3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.951 -7.682 1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.963 -8.562 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.345 -7.160 3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.179 -8.827 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.691 -9.695 4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.860 -8.223 5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.776 -6.882 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.414 -7.577 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.299 -9.132 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.554 -8.768 7.558 1.00 0.00 H new ATOM 721 N VAL A 47 5.556 -5.941 0.195 1.00 0.00 N ATOM 722 CA VAL A 47 6.647 -5.790 -0.807 1.00 0.00 C ATOM 723 C VAL A 47 7.115 -4.330 -0.837 1.00 0.00 C ATOM 724 O VAL A 47 8.283 -4.046 -0.664 1.00 0.00 O ATOM 725 CB VAL A 47 6.007 -6.198 -2.130 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.837 -5.677 -3.303 1.00 0.00 C ATOM 727 CG2 VAL A 47 5.919 -7.723 -2.207 1.00 0.00 C ATOM 0 H VAL A 47 4.693 -6.354 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 47 7.526 -6.395 -0.585 1.00 0.00 H new ATOM 0 HB VAL A 47 5.007 -5.768 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.369 -5.975 -4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.892 -4.589 -3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.843 -6.094 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.462 -8.014 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.920 -8.149 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.312 -8.095 -1.381 1.00 0.00 H new ATOM 737 N GLU A 48 6.208 -3.402 -1.036 1.00 0.00 N ATOM 738 CA GLU A 48 6.607 -1.960 -1.056 1.00 0.00 C ATOM 739 C GLU A 48 7.414 -1.643 0.204 1.00 0.00 C ATOM 740 O GLU A 48 8.430 -0.973 0.158 1.00 0.00 O ATOM 741 CB GLU A 48 5.293 -1.175 -1.070 1.00 0.00 C ATOM 742 CG GLU A 48 5.011 -0.665 -2.485 1.00 0.00 C ATOM 743 CD GLU A 48 6.126 0.290 -2.919 1.00 0.00 C ATOM 744 OE1 GLU A 48 6.178 1.388 -2.389 1.00 0.00 O ATOM 745 OE2 GLU A 48 6.909 -0.094 -3.773 1.00 0.00 O ATOM 0 H GLU A 48 5.215 -3.580 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 48 7.227 -1.707 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.475 -1.811 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.352 -0.337 -0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.946 -1.504 -3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.049 -0.153 -2.513 1.00 0.00 H new ATOM 752 N LEU A 49 6.977 -2.147 1.327 1.00 0.00 N ATOM 753 CA LEU A 49 7.723 -1.910 2.592 1.00 0.00 C ATOM 754 C LEU A 49 9.075 -2.612 2.504 1.00 0.00 C ATOM 755 O LEU A 49 10.107 -2.051 2.813 1.00 0.00 O ATOM 756 CB LEU A 49 6.857 -2.540 3.686 1.00 0.00 C ATOM 757 CG LEU A 49 7.128 -1.853 5.026 1.00 0.00 C ATOM 758 CD1 LEU A 49 6.329 -0.552 5.096 1.00 0.00 C ATOM 759 CD2 LEU A 49 6.701 -2.775 6.173 1.00 0.00 C ATOM 0 H LEU A 49 6.134 -2.713 1.421 1.00 0.00 H new ATOM 0 HA LEU A 49 7.908 -0.854 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.803 -2.446 3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.073 -3.606 3.764 1.00 0.00 H new ATOM 0 HG LEU A 49 8.193 -1.636 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.519 -0.059 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.632 0.105 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.265 -0.773 5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.895 -2.284 7.126 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.637 -2.993 6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.267 -3.705 6.122 1.00 0.00 H new ATOM 771 N THR A 50 9.065 -3.839 2.062 1.00 0.00 N ATOM 772 CA THR A 50 10.334 -4.604 1.922 1.00 0.00 C ATOM 773 C THR A 50 11.269 -3.903 0.926 1.00 0.00 C ATOM 774 O THR A 50 12.453 -4.173 0.881 1.00 0.00 O ATOM 775 CB THR A 50 9.898 -5.974 1.385 1.00 0.00 C ATOM 776 OG1 THR A 50 9.043 -6.596 2.334 1.00 0.00 O ATOM 777 CG2 THR A 50 11.126 -6.856 1.150 1.00 0.00 C ATOM 0 H THR A 50 8.224 -4.348 1.790 1.00 0.00 H new ATOM 0 HA THR A 50 10.882 -4.685 2.861 1.00 0.00 H new ATOM 0 HB THR A 50 9.369 -5.841 0.441 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.130 -6.258 2.223 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.809 -7.827 0.769 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.784 -6.378 0.424 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.661 -6.992 2.090 1.00 0.00 H new ATOM 785 N ARG A 51 10.746 -3.006 0.127 1.00 0.00 N ATOM 786 CA ARG A 51 11.604 -2.295 -0.866 1.00 0.00 C ATOM 787 C ARG A 51 12.408 -1.184 -0.182 1.00 0.00 C ATOM 788 O ARG A 51 13.624 -1.209 -0.168 1.00 0.00 O ATOM 789 CB ARG A 51 10.634 -1.697 -1.885 1.00 0.00 C ATOM 790 CG ARG A 51 9.793 -2.812 -2.509 1.00 0.00 C ATOM 791 CD ARG A 51 10.078 -2.893 -4.012 1.00 0.00 C ATOM 792 NE ARG A 51 8.764 -3.209 -4.640 1.00 0.00 N ATOM 793 CZ ARG A 51 8.705 -3.532 -5.904 1.00 0.00 C ATOM 794 NH1 ARG A 51 9.469 -2.924 -6.771 1.00 0.00 N ATOM 795 NH2 ARG A 51 7.879 -4.462 -6.302 1.00 0.00 N ATOM 0 H ARG A 51 9.762 -2.737 0.121 1.00 0.00 H new ATOM 0 HA ARG A 51 12.323 -2.967 -1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.986 -0.967 -1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.187 -1.167 -2.661 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.024 -3.765 -2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.734 -2.620 -2.340 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.479 -1.952 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.816 -3.664 -4.232 1.00 0.00 H new ATOM 0 HE ARG A 51 7.911 -3.173 -4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.113 -2.196 -6.461 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.422 -3.177 -7.758 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.280 -4.936 -5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.833 -4.715 -7.289 1.00 0.00 H new ATOM 809 N TYR A 52 11.743 -0.207 0.384 1.00 0.00 N ATOM 810 CA TYR A 52 12.483 0.905 1.062 1.00 0.00 C ATOM 811 C TYR A 52 13.470 0.334 2.083 1.00 0.00 C ATOM 812 O TYR A 52 14.493 0.925 2.371 1.00 0.00 O ATOM 813 CB TYR A 52 11.410 1.747 1.764 1.00 0.00 C ATOM 814 CG TYR A 52 12.024 3.039 2.259 1.00 0.00 C ATOM 815 CD1 TYR A 52 12.952 3.020 3.309 1.00 0.00 C ATOM 816 CD2 TYR A 52 11.669 4.260 1.666 1.00 0.00 C ATOM 817 CE1 TYR A 52 13.522 4.216 3.763 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.241 5.454 2.120 1.00 0.00 C ATOM 819 CZ TYR A 52 13.167 5.432 3.168 1.00 0.00 C ATOM 820 OH TYR A 52 13.731 6.610 3.615 1.00 0.00 O ATOM 0 H TYR A 52 10.726 -0.130 0.407 1.00 0.00 H new ATOM 0 HA TYR A 52 13.060 1.501 0.355 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.593 1.961 1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.985 1.191 2.600 1.00 0.00 H new ATOM 0 HD1 TYR A 52 13.228 2.082 3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.953 4.279 0.858 1.00 0.00 H new ATOM 0 HE1 TYR A 52 14.236 4.200 4.573 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.967 6.393 1.661 1.00 0.00 H new ATOM 0 HH TYR A 52 14.078 7.117 2.851 1.00 0.00 H new ATOM 830 N LEU A 53 13.172 -0.814 2.630 1.00 0.00 N ATOM 831 CA LEU A 53 14.089 -1.430 3.632 1.00 0.00 C ATOM 832 C LEU A 53 15.079 -2.373 2.940 1.00 0.00 C ATOM 833 O LEU A 53 16.142 -2.656 3.457 1.00 0.00 O ATOM 834 CB LEU A 53 13.174 -2.209 4.576 1.00 0.00 C ATOM 835 CG LEU A 53 12.297 -1.230 5.363 1.00 0.00 C ATOM 836 CD1 LEU A 53 10.870 -1.777 5.457 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.870 -1.054 6.772 1.00 0.00 C ATOM 0 H LEU A 53 12.331 -1.353 2.425 1.00 0.00 H new ATOM 0 HA LEU A 53 14.683 -0.685 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.549 -2.897 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.770 -2.812 5.262 1.00 0.00 H new ATOM 0 HG LEU A 53 12.281 -0.267 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.249 -1.078 6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.462 -1.902 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.883 -2.741 5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.247 -0.358 7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.887 -2.018 7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.885 -0.661 6.706 1.00 0.00 H new ATOM 849 N GLY A 54 14.739 -2.861 1.775 1.00 0.00 N ATOM 850 CA GLY A 54 15.661 -3.784 1.055 1.00 0.00 C ATOM 851 C GLY A 54 15.078 -5.200 1.062 1.00 0.00 C ATOM 852 O GLY A 54 14.298 -5.542 1.928 1.00 0.00 O ATOM 0 H GLY A 54 13.863 -2.659 1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 54 15.805 -3.444 0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.641 -3.781 1.532 1.00 0.00 H new ATOM 856 N PRO A 55 15.478 -5.980 0.091 1.00 0.00 N ATOM 857 CA PRO A 55 14.987 -7.376 -0.010 1.00 0.00 C ATOM 858 C PRO A 55 15.599 -8.238 1.098 1.00 0.00 C ATOM 859 O PRO A 55 15.019 -9.217 1.526 1.00 0.00 O ATOM 860 CB PRO A 55 15.471 -7.827 -1.387 1.00 0.00 C ATOM 861 CG PRO A 55 16.652 -6.959 -1.684 1.00 0.00 C ATOM 862 CD PRO A 55 16.415 -5.644 -0.989 1.00 0.00 C ATOM 0 HA PRO A 55 13.906 -7.462 0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.747 -8.881 -1.383 1.00 0.00 H new ATOM 0 HB3 PRO A 55 14.692 -7.705 -2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 55 17.572 -7.423 -1.328 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.764 -6.813 -2.758 1.00 0.00 H new ATOM 0 HD2 PRO A 55 17.342 -5.226 -0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.993 -4.903 -1.668 1.00 0.00 H new ATOM 870 N ALA A 56 16.763 -7.877 1.567 1.00 0.00 N ATOM 871 CA ALA A 56 17.410 -8.672 2.651 1.00 0.00 C ATOM 872 C ALA A 56 16.752 -8.360 3.999 1.00 0.00 C ATOM 873 O ALA A 56 16.840 -9.131 4.936 1.00 0.00 O ATOM 874 CB ALA A 56 18.873 -8.225 2.653 1.00 0.00 C ATOM 0 H ALA A 56 17.294 -7.067 1.247 1.00 0.00 H new ATOM 0 HA ALA A 56 17.313 -9.746 2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.418 -8.767 3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.319 -8.435 1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 56 18.926 -7.155 2.853 1.00 0.00 H new ATOM 880 N CYS A 57 16.095 -7.234 4.104 1.00 0.00 N ATOM 881 CA CYS A 57 15.432 -6.872 5.391 1.00 0.00 C ATOM 882 C CYS A 57 13.967 -7.319 5.375 1.00 0.00 C ATOM 883 O CYS A 57 13.064 -6.516 5.242 1.00 0.00 O ATOM 884 CB CYS A 57 15.525 -5.347 5.467 1.00 0.00 C ATOM 885 SG CYS A 57 15.716 -4.839 7.194 1.00 0.00 S ATOM 0 H CYS A 57 15.989 -6.550 3.354 1.00 0.00 H new ATOM 0 HA CYS A 57 15.902 -7.354 6.248 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.371 -4.994 4.877 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.629 -4.896 5.041 1.00 0.00 H new ATOM 0 HG CYS A 57 15.797 -3.543 7.259 1.00 0.00 H new ATOM 891 N ASP A 58 13.726 -8.596 5.511 1.00 0.00 N ATOM 892 CA ASP A 58 12.319 -9.098 5.505 1.00 0.00 C ATOM 893 C ASP A 58 11.525 -8.456 6.643 1.00 0.00 C ATOM 894 O ASP A 58 12.086 -7.962 7.601 1.00 0.00 O ATOM 895 CB ASP A 58 12.432 -10.607 5.731 1.00 0.00 C ATOM 896 CG ASP A 58 12.265 -11.339 4.398 1.00 0.00 C ATOM 897 OD1 ASP A 58 12.789 -10.854 3.408 1.00 0.00 O ATOM 898 OD2 ASP A 58 11.619 -12.374 4.390 1.00 0.00 O ATOM 0 H ASP A 58 14.442 -9.314 5.626 1.00 0.00 H new ATOM 0 HA ASP A 58 11.804 -8.859 4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.400 -10.848 6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.670 -10.937 6.437 1.00 0.00 H new ATOM 903 N LEU A 59 10.223 -8.468 6.549 1.00 0.00 N ATOM 904 CA LEU A 59 9.394 -7.864 7.631 1.00 0.00 C ATOM 905 C LEU A 59 8.268 -8.823 8.026 1.00 0.00 C ATOM 906 O LEU A 59 7.134 -8.422 8.205 1.00 0.00 O ATOM 907 CB LEU A 59 8.815 -6.578 7.035 1.00 0.00 C ATOM 908 CG LEU A 59 9.944 -5.688 6.510 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.345 -4.469 5.804 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.815 -5.221 7.680 1.00 0.00 C ATOM 0 H LEU A 59 9.698 -8.869 5.772 1.00 0.00 H new ATOM 0 HA LEU A 59 9.978 -7.663 8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.126 -6.821 6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.241 -6.043 7.792 1.00 0.00 H new ATOM 0 HG LEU A 59 10.554 -6.254 5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.148 -3.834 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.725 -4.799 4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.735 -3.904 6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.619 -4.587 7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.205 -4.655 8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.242 -6.088 8.185 1.00 0.00 H new ATOM 922 N THR A 60 8.572 -10.086 8.162 1.00 0.00 N ATOM 923 CA THR A 60 7.518 -11.075 8.544 1.00 0.00 C ATOM 924 C THR A 60 6.830 -10.641 9.842 1.00 0.00 C ATOM 925 O THR A 60 5.693 -10.987 10.098 1.00 0.00 O ATOM 926 CB THR A 60 8.261 -12.401 8.749 1.00 0.00 C ATOM 927 OG1 THR A 60 9.466 -12.397 7.995 1.00 0.00 O ATOM 928 CG2 THR A 60 7.374 -13.558 8.286 1.00 0.00 C ATOM 0 H THR A 60 9.504 -10.477 8.025 1.00 0.00 H new ATOM 0 HA THR A 60 6.742 -11.159 7.783 1.00 0.00 H new ATOM 0 HB THR A 60 8.498 -12.522 9.806 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.939 -13.245 8.130 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.901 -14.501 8.431 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.452 -13.564 8.867 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.136 -13.434 7.229 1.00 0.00 H new ATOM 936 N LEU A 61 7.512 -9.885 10.660 1.00 0.00 N ATOM 937 CA LEU A 61 6.899 -9.423 11.941 1.00 0.00 C ATOM 938 C LEU A 61 6.001 -8.209 11.690 1.00 0.00 C ATOM 939 O LEU A 61 5.085 -7.939 12.442 1.00 0.00 O ATOM 940 CB LEU A 61 8.084 -9.043 12.831 1.00 0.00 C ATOM 941 CG LEU A 61 8.869 -10.302 13.204 1.00 0.00 C ATOM 942 CD1 LEU A 61 10.365 -9.981 13.256 1.00 0.00 C ATOM 943 CD2 LEU A 61 8.403 -10.804 14.573 1.00 0.00 C ATOM 0 H LEU A 61 8.467 -9.567 10.497 1.00 0.00 H new ATOM 0 HA LEU A 61 6.274 -10.188 12.401 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.732 -8.339 12.310 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.729 -8.543 13.732 1.00 0.00 H new ATOM 0 HG LEU A 61 8.694 -11.074 12.454 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.921 -10.880 13.522 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.695 -9.626 12.280 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.546 -9.208 14.003 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.961 -11.701 14.841 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.577 -10.032 15.322 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.339 -11.037 14.532 1.00 0.00 H new ATOM 955 N PHE A 62 6.254 -7.478 10.637 1.00 0.00 N ATOM 956 CA PHE A 62 5.412 -6.282 10.338 1.00 0.00 C ATOM 957 C PHE A 62 3.999 -6.721 9.942 1.00 0.00 C ATOM 958 O PHE A 62 3.805 -7.404 8.955 1.00 0.00 O ATOM 959 CB PHE A 62 6.109 -5.581 9.166 1.00 0.00 C ATOM 960 CG PHE A 62 5.211 -4.494 8.615 1.00 0.00 C ATOM 961 CD1 PHE A 62 5.079 -3.281 9.300 1.00 0.00 C ATOM 962 CD2 PHE A 62 4.511 -4.703 7.422 1.00 0.00 C ATOM 963 CE1 PHE A 62 4.245 -2.276 8.791 1.00 0.00 C ATOM 964 CE2 PHE A 62 3.678 -3.700 6.913 1.00 0.00 C ATOM 965 CZ PHE A 62 3.545 -2.487 7.598 1.00 0.00 C ATOM 0 H PHE A 62 7.006 -7.657 9.972 1.00 0.00 H new ATOM 0 HA PHE A 62 5.311 -5.622 11.199 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.055 -5.152 9.497 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.343 -6.304 8.384 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.620 -3.119 10.221 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.613 -5.639 6.893 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.143 -1.340 9.319 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.138 -3.862 5.992 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.902 -1.713 7.206 1.00 0.00 H new ATOM 975 N ASP A 63 3.012 -6.324 10.699 1.00 0.00 N ATOM 976 CA ASP A 63 1.613 -6.711 10.360 1.00 0.00 C ATOM 977 C ASP A 63 1.028 -5.719 9.352 1.00 0.00 C ATOM 978 O ASP A 63 0.795 -4.567 9.663 1.00 0.00 O ATOM 979 CB ASP A 63 0.850 -6.649 11.683 1.00 0.00 C ATOM 980 CG ASP A 63 0.823 -8.039 12.323 1.00 0.00 C ATOM 981 OD1 ASP A 63 0.341 -8.956 11.679 1.00 0.00 O ATOM 982 OD2 ASP A 63 1.285 -8.162 13.445 1.00 0.00 O ATOM 0 H ASP A 63 3.114 -5.750 11.536 1.00 0.00 H new ATOM 0 HA ASP A 63 1.553 -7.701 9.907 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.326 -5.936 12.356 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.167 -6.296 11.512 1.00 0.00 H new ATOM 987 N PHE A 64 0.797 -6.157 8.142 1.00 0.00 N ATOM 988 CA PHE A 64 0.233 -5.244 7.099 1.00 0.00 C ATOM 989 C PHE A 64 -1.007 -4.508 7.628 1.00 0.00 C ATOM 990 O PHE A 64 -1.175 -3.324 7.408 1.00 0.00 O ATOM 991 CB PHE A 64 -0.135 -6.171 5.932 1.00 0.00 C ATOM 992 CG PHE A 64 -1.028 -5.444 4.951 1.00 0.00 C ATOM 993 CD1 PHE A 64 -0.465 -4.670 3.929 1.00 0.00 C ATOM 994 CD2 PHE A 64 -2.419 -5.547 5.066 1.00 0.00 C ATOM 995 CE1 PHE A 64 -1.296 -3.999 3.022 1.00 0.00 C ATOM 996 CE2 PHE A 64 -3.248 -4.876 4.160 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.687 -4.102 3.138 1.00 0.00 C ATOM 0 H PHE A 64 0.975 -7.111 7.828 1.00 0.00 H new ATOM 0 HA PHE A 64 0.940 -4.469 6.802 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.770 -6.511 5.429 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.643 -7.059 6.309 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.608 -4.590 3.840 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.853 -6.145 5.854 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.863 -3.402 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.321 -4.956 4.250 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.327 -3.584 2.439 1.00 0.00 H new ATOM 1007 N LYS A 65 -1.881 -5.198 8.310 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.111 -4.531 8.833 1.00 0.00 C ATOM 1009 C LYS A 65 -2.788 -3.656 10.049 1.00 0.00 C ATOM 1010 O LYS A 65 -3.097 -2.481 10.073 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.047 -5.675 9.224 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.477 -5.329 8.803 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.605 -5.439 7.281 1.00 0.00 C ATOM 1014 CE LYS A 65 -6.923 -4.804 6.828 1.00 0.00 C ATOM 1015 NZ LYS A 65 -7.593 -5.847 6.003 1.00 0.00 N ATOM 0 H LYS A 65 -1.798 -6.191 8.528 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.559 -3.869 8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.729 -6.600 8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.004 -5.843 10.300 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.183 -6.004 9.287 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.728 -4.319 9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.765 -4.940 6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.571 -6.485 6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.538 -4.521 7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.745 -3.898 6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.504 -5.484 5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.988 -6.091 5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.756 -6.696 6.582 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.179 -4.216 11.061 1.00 0.00 N ATOM 1030 CA GLN A 66 -1.851 -3.408 12.274 1.00 0.00 C ATOM 1031 C GLN A 66 -0.837 -2.312 11.934 1.00 0.00 C ATOM 1032 O GLN A 66 -1.034 -1.154 12.253 1.00 0.00 O ATOM 1033 CB GLN A 66 -1.249 -4.401 13.269 1.00 0.00 C ATOM 1034 CG GLN A 66 -2.278 -5.484 13.598 1.00 0.00 C ATOM 1035 CD GLN A 66 -2.074 -5.960 15.038 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -2.797 -5.563 15.930 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -1.110 -6.799 15.304 1.00 0.00 N ATOM 0 H GLN A 66 -1.895 -5.195 11.101 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.732 -2.908 12.678 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.351 -4.854 12.848 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.948 -3.882 14.179 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.287 -5.092 13.473 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.174 -6.322 12.908 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.503 -7.132 14.555 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.964 -7.121 16.261 1.00 0.00 H new ATOM 1046 N GLY A 67 0.249 -2.664 11.299 1.00 0.00 N ATOM 1047 CA GLY A 67 1.275 -1.640 10.953 1.00 0.00 C ATOM 1048 C GLY A 67 2.208 -1.449 12.148 1.00 0.00 C ATOM 1049 O GLY A 67 2.427 -0.346 12.611 1.00 0.00 O ATOM 0 H GLY A 67 0.469 -3.616 11.005 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.843 -1.957 10.078 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.794 -0.696 10.696 1.00 0.00 H new ATOM 1053 N ILE A 68 2.753 -2.524 12.654 1.00 0.00 N ATOM 1054 CA ILE A 68 3.672 -2.423 13.828 1.00 0.00 C ATOM 1055 C ILE A 68 4.598 -3.638 13.876 1.00 0.00 C ATOM 1056 O ILE A 68 4.278 -4.695 13.367 1.00 0.00 O ATOM 1057 CB ILE A 68 2.768 -2.399 15.068 1.00 0.00 C ATOM 1058 CG1 ILE A 68 1.465 -3.162 14.790 1.00 0.00 C ATOM 1059 CG2 ILE A 68 2.440 -0.951 15.432 1.00 0.00 C ATOM 1060 CD1 ILE A 68 0.902 -3.715 16.101 1.00 0.00 C ATOM 0 H ILE A 68 2.601 -3.470 12.305 1.00 0.00 H new ATOM 0 HA ILE A 68 4.300 -1.534 13.772 1.00 0.00 H new ATOM 0 HB ILE A 68 3.291 -2.878 15.896 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.737 -2.500 14.321 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.651 -3.977 14.091 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.798 -0.934 16.313 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.363 -0.411 15.645 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.925 -0.474 14.598 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.023 -4.256 15.900 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.628 -4.392 16.552 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.699 -2.892 16.786 1.00 0.00 H new ATOM 1072 N LEU A 69 5.742 -3.499 14.490 1.00 0.00 N ATOM 1073 CA LEU A 69 6.684 -4.649 14.578 1.00 0.00 C ATOM 1074 C LEU A 69 6.626 -5.260 15.980 1.00 0.00 C ATOM 1075 O LEU A 69 7.387 -4.895 16.855 1.00 0.00 O ATOM 1076 CB LEU A 69 8.072 -4.058 14.314 1.00 0.00 C ATOM 1077 CG LEU A 69 8.473 -4.286 12.852 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.874 -3.718 12.617 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.483 -5.785 12.543 1.00 0.00 C ATOM 0 H LEU A 69 6.064 -2.639 14.934 1.00 0.00 H new ATOM 0 HA LEU A 69 6.439 -5.438 13.867 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.070 -2.991 14.536 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.804 -4.520 14.976 1.00 0.00 H new ATOM 0 HG LEU A 69 7.755 -3.787 12.202 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.162 -3.879 11.578 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.874 -2.650 12.833 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.585 -4.221 13.273 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.769 -5.940 11.503 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.199 -6.286 13.195 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.488 -6.198 12.712 1.00 0.00 H new