USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot -170:sc= 1.04 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -130:sc= 1.28 (180deg=-0.133) USER MOD Set 2.1: A 24 SER OG : rot 62:sc= 1.12 USER MOD Set 2.2: A 28 CYS SG : rot 180:sc= -0.761 USER MOD Single : A 8 CYS SG : rot -23:sc= 0.24 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 27 THR OG1 : rot -110:sc= -2.14! USER MOD Single : A 33 THR OG1 : rot -160:sc= -0.122 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 30:sc= -0.139 USER MOD Single : A 36 GLN : amide:sc= 0.486 X(o=0.49,f=0) USER MOD Single : A 37 SER OG : rot -152:sc= -3.32! USER MOD Single : A 39 THR OG1 : rot -36:sc= 0.906 USER MOD Single : A 45 SER OG : rot -1:sc= 1.12 USER MOD Single : A 46 LYS NZ :NH3+ -170:sc=-0.000189 (180deg=-0.142) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 91:sc= 0.00197 USER MOD Single : A 57 CYS SG : rot -89:sc= -1.56 USER MOD Single : A 60 THR OG1 : rot 101:sc= 0.127 USER MOD Single : A 66 GLN : amide:sc= -4.7! C(o=-4.7!,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -4.546 9.119 10.453 1.00 0.00 N ATOM 56 CA TRP A 5 -3.161 8.581 10.312 1.00 0.00 C ATOM 57 C TRP A 5 -2.695 7.966 11.634 1.00 0.00 C ATOM 58 O TRP A 5 -2.683 8.615 12.661 1.00 0.00 O ATOM 59 CB TRP A 5 -2.301 9.795 9.954 1.00 0.00 C ATOM 60 CG TRP A 5 -2.180 9.902 8.466 1.00 0.00 C ATOM 61 CD1 TRP A 5 -2.714 10.890 7.713 1.00 0.00 C ATOM 62 CD2 TRP A 5 -1.491 9.009 7.543 1.00 0.00 C ATOM 63 NE1 TRP A 5 -2.398 10.661 6.386 1.00 0.00 N ATOM 64 CE2 TRP A 5 -1.645 9.514 6.230 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.757 7.822 7.715 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -1.090 8.865 5.127 1.00 0.00 C ATOM 67 CZ3 TRP A 5 -0.196 7.166 6.607 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.362 7.687 5.315 1.00 0.00 C ATOM 0 HA TRP A 5 -3.097 7.797 9.557 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.748 10.703 10.359 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -1.313 9.699 10.404 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.293 11.722 8.087 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.686 11.266 5.617 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.624 7.412 8.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.222 9.270 4.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.366 6.255 6.750 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.072 7.178 4.467 1.00 0.00 H new ATOM 79 N LEU A 6 -2.312 6.717 11.615 1.00 0.00 N ATOM 80 CA LEU A 6 -1.844 6.053 12.867 1.00 0.00 C ATOM 81 C LEU A 6 -0.340 5.779 12.788 1.00 0.00 C ATOM 82 O LEU A 6 0.240 5.762 11.722 1.00 0.00 O ATOM 83 CB LEU A 6 -2.625 4.740 12.939 1.00 0.00 C ATOM 84 CG LEU A 6 -4.123 5.040 13.017 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.915 3.775 12.682 1.00 0.00 C ATOM 86 CD2 LEU A 6 -4.477 5.501 14.432 1.00 0.00 C ATOM 0 H LEU A 6 -2.303 6.126 10.784 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.009 6.672 13.749 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.411 4.129 12.062 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.312 4.166 13.811 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.373 5.826 12.304 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.982 3.989 12.738 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.663 3.444 11.674 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.665 2.989 13.395 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.544 5.715 14.489 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.226 4.715 15.144 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.913 6.402 14.673 1.00 0.00 H new ATOM 98 N ASP A 7 0.297 5.570 13.908 1.00 0.00 N ATOM 99 CA ASP A 7 1.764 5.299 13.893 1.00 0.00 C ATOM 100 C ASP A 7 2.042 3.896 13.345 1.00 0.00 C ATOM 101 O ASP A 7 1.137 3.119 13.108 1.00 0.00 O ATOM 102 CB ASP A 7 2.202 5.398 15.355 1.00 0.00 C ATOM 103 CG ASP A 7 2.368 6.869 15.741 1.00 0.00 C ATOM 104 OD1 ASP A 7 3.230 7.516 15.170 1.00 0.00 O ATOM 105 OD2 ASP A 7 1.630 7.322 16.601 1.00 0.00 O ATOM 0 H ASP A 7 -0.134 5.575 14.832 1.00 0.00 H new ATOM 0 HA ASP A 7 2.304 6.000 13.256 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.462 4.923 16.000 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.141 4.865 15.501 1.00 0.00 H new ATOM 110 N CYS A 8 3.291 3.568 13.146 1.00 0.00 N ATOM 111 CA CYS A 8 3.644 2.219 12.618 1.00 0.00 C ATOM 112 C CYS A 8 5.022 1.802 13.146 1.00 0.00 C ATOM 113 O CYS A 8 6.030 2.066 12.523 1.00 0.00 O ATOM 114 CB CYS A 8 3.674 2.378 11.096 1.00 0.00 C ATOM 115 SG CYS A 8 2.638 1.105 10.329 1.00 0.00 S ATOM 0 H CYS A 8 4.086 4.181 13.328 1.00 0.00 H new ATOM 0 HA CYS A 8 2.934 1.452 12.926 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.316 3.369 10.817 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.698 2.295 10.732 1.00 0.00 H new ATOM 0 HG CYS A 8 2.506 0.102 11.146 1.00 0.00 H new ATOM 121 N PRO A 9 5.014 1.163 14.288 1.00 0.00 N ATOM 122 CA PRO A 9 6.280 0.706 14.917 1.00 0.00 C ATOM 123 C PRO A 9 6.886 -0.480 14.166 1.00 0.00 C ATOM 124 O PRO A 9 7.962 -0.942 14.494 1.00 0.00 O ATOM 125 CB PRO A 9 5.853 0.272 16.311 1.00 0.00 C ATOM 126 CG PRO A 9 4.399 -0.055 16.191 1.00 0.00 C ATOM 127 CD PRO A 9 3.840 0.809 15.094 1.00 0.00 C ATOM 0 HA PRO A 9 7.042 1.485 14.915 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.425 -0.593 16.647 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.019 1.066 17.039 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.260 -1.111 15.959 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.883 0.135 17.132 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.097 0.273 14.503 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.349 1.696 15.495 1.00 0.00 H new ATOM 135 N ALA A 10 6.208 -0.991 13.178 1.00 0.00 N ATOM 136 CA ALA A 10 6.755 -2.160 12.436 1.00 0.00 C ATOM 137 C ALA A 10 8.112 -1.823 11.802 1.00 0.00 C ATOM 138 O ALA A 10 8.851 -2.700 11.402 1.00 0.00 O ATOM 139 CB ALA A 10 5.722 -2.465 11.352 1.00 0.00 C ATOM 0 H ALA A 10 5.303 -0.652 12.853 1.00 0.00 H new ATOM 0 HA ALA A 10 6.924 -3.011 13.096 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.056 -3.318 10.761 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.764 -2.698 11.817 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.608 -1.596 10.703 1.00 0.00 H new ATOM 145 N LEU A 11 8.446 -0.564 11.701 1.00 0.00 N ATOM 146 CA LEU A 11 9.752 -0.187 11.088 1.00 0.00 C ATOM 147 C LEU A 11 10.543 0.724 12.033 1.00 0.00 C ATOM 148 O LEU A 11 11.556 0.334 12.579 1.00 0.00 O ATOM 149 CB LEU A 11 9.388 0.556 9.804 1.00 0.00 C ATOM 150 CG LEU A 11 8.828 -0.436 8.779 1.00 0.00 C ATOM 151 CD1 LEU A 11 7.367 -0.091 8.472 1.00 0.00 C ATOM 152 CD2 LEU A 11 9.653 -0.361 7.489 1.00 0.00 C ATOM 0 H LEU A 11 7.872 0.218 12.016 1.00 0.00 H new ATOM 0 HA LEU A 11 10.380 -1.056 10.892 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.651 1.331 10.016 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.268 1.056 9.399 1.00 0.00 H new ATOM 0 HG LEU A 11 8.883 -1.445 9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.972 -0.798 7.743 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.779 -0.148 9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.309 0.919 8.066 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.254 -1.067 6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.601 0.649 7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.691 -0.612 7.706 1.00 0.00 H new ATOM 164 N GLY A 12 10.088 1.933 12.228 1.00 0.00 N ATOM 165 CA GLY A 12 10.817 2.866 13.136 1.00 0.00 C ATOM 166 C GLY A 12 10.060 4.197 13.229 1.00 0.00 C ATOM 167 O GLY A 12 8.896 4.271 12.892 1.00 0.00 O ATOM 0 H GLY A 12 9.245 2.314 11.799 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.914 2.422 14.127 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.827 3.037 12.763 1.00 0.00 H new ATOM 171 N PRO A 13 10.752 5.210 13.689 1.00 0.00 N ATOM 172 CA PRO A 13 10.134 6.552 13.831 1.00 0.00 C ATOM 173 C PRO A 13 9.939 7.203 12.459 1.00 0.00 C ATOM 174 O PRO A 13 10.769 7.081 11.580 1.00 0.00 O ATOM 175 CB PRO A 13 11.150 7.330 14.662 1.00 0.00 C ATOM 176 CG PRO A 13 12.459 6.651 14.413 1.00 0.00 C ATOM 177 CD PRO A 13 12.160 5.205 14.117 1.00 0.00 C ATOM 0 HA PRO A 13 9.147 6.520 14.293 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.186 8.377 14.362 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.891 7.311 15.721 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.980 7.115 13.576 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.110 6.739 15.283 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.813 4.815 13.336 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.307 4.579 14.997 1.00 0.00 H new ATOM 185 N GLY A 14 8.845 7.893 12.272 1.00 0.00 N ATOM 186 CA GLY A 14 8.588 8.554 10.960 1.00 0.00 C ATOM 187 C GLY A 14 7.507 7.779 10.204 1.00 0.00 C ATOM 188 O GLY A 14 6.768 8.336 9.415 1.00 0.00 O ATOM 0 H GLY A 14 8.117 8.027 12.974 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.270 9.585 11.116 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.505 8.588 10.372 1.00 0.00 H new ATOM 192 N TRP A 15 7.431 6.494 10.417 1.00 0.00 N ATOM 193 CA TRP A 15 6.422 5.665 9.691 1.00 0.00 C ATOM 194 C TRP A 15 4.993 6.018 10.111 1.00 0.00 C ATOM 195 O TRP A 15 4.710 6.252 11.269 1.00 0.00 O ATOM 196 CB TRP A 15 6.751 4.223 10.074 1.00 0.00 C ATOM 197 CG TRP A 15 7.792 3.692 9.144 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.119 3.656 9.403 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.618 3.125 7.815 1.00 0.00 C ATOM 200 NE1 TRP A 15 9.770 3.104 8.314 1.00 0.00 N ATOM 201 CE2 TRP A 15 8.888 2.759 7.312 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.492 2.894 7.005 1.00 0.00 C ATOM 203 CZ2 TRP A 15 9.038 2.188 6.050 1.00 0.00 C ATOM 204 CZ3 TRP A 15 6.640 2.316 5.733 1.00 0.00 C ATOM 205 CH2 TRP A 15 7.912 1.965 5.257 1.00 0.00 C ATOM 0 H TRP A 15 8.026 5.978 11.065 1.00 0.00 H new ATOM 0 HA TRP A 15 6.468 5.834 8.615 1.00 0.00 H new ATOM 0 HB2 TRP A 15 7.109 4.180 11.102 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.853 3.607 10.024 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.592 4.001 10.310 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.780 2.969 8.259 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.509 3.162 7.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.020 1.920 5.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.769 2.141 5.118 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.020 1.523 4.278 1.00 0.00 H new ATOM 216 N LYS A 16 4.092 6.039 9.165 1.00 0.00 N ATOM 217 CA LYS A 16 2.668 6.355 9.478 1.00 0.00 C ATOM 218 C LYS A 16 1.750 5.444 8.654 1.00 0.00 C ATOM 219 O LYS A 16 2.078 5.058 7.549 1.00 0.00 O ATOM 220 CB LYS A 16 2.481 7.817 9.067 1.00 0.00 C ATOM 221 CG LYS A 16 3.066 8.731 10.145 1.00 0.00 C ATOM 222 CD LYS A 16 1.977 9.086 11.161 1.00 0.00 C ATOM 223 CE LYS A 16 2.233 10.490 11.716 1.00 0.00 C ATOM 224 NZ LYS A 16 0.947 10.892 12.351 1.00 0.00 N ATOM 0 H LYS A 16 4.283 5.849 8.181 1.00 0.00 H new ATOM 0 HA LYS A 16 2.426 6.200 10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.973 8.003 8.112 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.422 8.034 8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.897 8.234 10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.464 9.638 9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.996 9.044 10.688 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.971 8.358 11.973 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.047 10.486 12.441 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.516 11.183 10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.043 11.845 12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.192 10.893 11.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.707 10.218 13.106 1.00 0.00 H new ATOM 238 N ARG A 17 0.613 5.089 9.185 1.00 0.00 N ATOM 239 CA ARG A 17 -0.319 4.195 8.436 1.00 0.00 C ATOM 240 C ARG A 17 -1.706 4.836 8.323 1.00 0.00 C ATOM 241 O ARG A 17 -2.128 5.589 9.178 1.00 0.00 O ATOM 242 CB ARG A 17 -0.381 2.912 9.271 1.00 0.00 C ATOM 243 CG ARG A 17 -1.427 1.959 8.685 1.00 0.00 C ATOM 244 CD ARG A 17 -1.579 0.740 9.600 1.00 0.00 C ATOM 245 NE ARG A 17 -2.098 1.286 10.885 1.00 0.00 N ATOM 246 CZ ARG A 17 -2.068 0.552 11.964 1.00 0.00 C ATOM 247 NH1 ARG A 17 -1.000 0.536 12.713 1.00 0.00 N ATOM 248 NH2 ARG A 17 -3.107 -0.166 12.294 1.00 0.00 N ATOM 0 H ARG A 17 0.287 5.379 10.107 1.00 0.00 H new ATOM 0 HA ARG A 17 0.018 4.007 7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.596 2.429 9.285 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.633 3.152 10.304 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.384 2.471 8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.126 1.642 7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.268 0.010 9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.625 0.232 9.743 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.476 2.232 10.922 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.188 1.097 12.456 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.977 -0.038 13.556 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.942 -0.153 11.709 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.084 -0.740 13.137 1.00 0.00 H new ATOM 262 N ARG A 18 -2.417 4.529 7.272 1.00 0.00 N ATOM 263 CA ARG A 18 -3.783 5.100 7.088 1.00 0.00 C ATOM 264 C ARG A 18 -4.717 4.025 6.526 1.00 0.00 C ATOM 265 O ARG A 18 -4.331 3.233 5.690 1.00 0.00 O ATOM 266 CB ARG A 18 -3.607 6.242 6.087 1.00 0.00 C ATOM 267 CG ARG A 18 -4.954 6.934 5.860 1.00 0.00 C ATOM 268 CD ARG A 18 -4.724 8.303 5.216 1.00 0.00 C ATOM 269 NE ARG A 18 -4.200 8.004 3.854 1.00 0.00 N ATOM 270 CZ ARG A 18 -4.994 8.071 2.819 1.00 0.00 C ATOM 271 NH1 ARG A 18 -6.229 7.657 2.915 1.00 0.00 N ATOM 272 NH2 ARG A 18 -4.552 8.550 1.689 1.00 0.00 N ATOM 0 H ARG A 18 -2.109 3.903 6.528 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.220 5.451 8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.876 6.959 6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.221 5.857 5.144 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.586 6.320 5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.479 7.050 6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.650 8.876 5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.013 8.896 5.791 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.221 7.747 3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.574 7.281 3.798 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.849 7.709 2.107 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.587 8.872 1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.171 8.603 0.880 1.00 0.00 H new ATOM 286 N GLU A 19 -5.939 3.985 6.984 1.00 0.00 N ATOM 287 CA GLU A 19 -6.890 2.951 6.479 1.00 0.00 C ATOM 288 C GLU A 19 -7.821 3.550 5.420 1.00 0.00 C ATOM 289 O GLU A 19 -8.315 4.651 5.562 1.00 0.00 O ATOM 290 CB GLU A 19 -7.687 2.510 7.710 1.00 0.00 C ATOM 291 CG GLU A 19 -7.308 1.074 8.079 1.00 0.00 C ATOM 292 CD GLU A 19 -7.939 0.707 9.423 1.00 0.00 C ATOM 293 OE1 GLU A 19 -9.072 1.099 9.650 1.00 0.00 O ATOM 294 OE2 GLU A 19 -7.279 0.039 10.203 1.00 0.00 O ATOM 0 H GLU A 19 -6.320 4.621 7.684 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.374 2.116 6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.482 3.178 8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.756 2.574 7.506 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.650 0.387 7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.224 0.976 8.136 1.00 0.00 H new ATOM 301 N VAL A 20 -8.064 2.826 4.359 1.00 0.00 N ATOM 302 CA VAL A 20 -8.963 3.341 3.286 1.00 0.00 C ATOM 303 C VAL A 20 -10.138 2.380 3.085 1.00 0.00 C ATOM 304 O VAL A 20 -10.019 1.382 2.403 1.00 0.00 O ATOM 305 CB VAL A 20 -8.099 3.390 2.023 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.881 4.069 0.897 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.821 4.184 2.302 1.00 0.00 C ATOM 0 H VAL A 20 -7.677 1.898 4.190 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.378 4.318 3.532 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.837 2.374 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.267 4.104 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.790 3.504 0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.144 5.083 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.209 4.217 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.081 5.199 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.261 3.702 3.104 1.00 0.00 H new ATOM 317 N PHE A 21 -11.268 2.667 3.670 1.00 0.00 N ATOM 318 CA PHE A 21 -12.444 1.759 3.510 1.00 0.00 C ATOM 319 C PHE A 21 -13.145 2.005 2.168 1.00 0.00 C ATOM 320 O PHE A 21 -14.354 2.092 2.102 1.00 0.00 O ATOM 321 CB PHE A 21 -13.375 2.111 4.674 1.00 0.00 C ATOM 322 CG PHE A 21 -13.248 1.065 5.756 1.00 0.00 C ATOM 323 CD1 PHE A 21 -13.692 -0.241 5.522 1.00 0.00 C ATOM 324 CD2 PHE A 21 -12.687 1.403 6.994 1.00 0.00 C ATOM 325 CE1 PHE A 21 -13.575 -1.211 6.525 1.00 0.00 C ATOM 326 CE2 PHE A 21 -12.570 0.434 7.998 1.00 0.00 C ATOM 327 CZ PHE A 21 -13.014 -0.874 7.763 1.00 0.00 C ATOM 0 H PHE A 21 -11.430 3.489 4.252 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.152 0.709 3.518 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -13.121 3.094 5.072 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.406 2.165 4.325 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -14.125 -0.501 4.567 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.345 2.411 7.174 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.917 -2.219 6.344 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.138 0.695 8.953 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.924 -1.622 8.537 1.00 0.00 H new ATOM 337 N ARG A 22 -12.395 2.102 1.094 1.00 0.00 N ATOM 338 CA ARG A 22 -13.010 2.332 -0.249 1.00 0.00 C ATOM 339 C ARG A 22 -13.963 3.533 -0.221 1.00 0.00 C ATOM 340 O ARG A 22 -14.335 4.024 0.827 1.00 0.00 O ATOM 341 CB ARG A 22 -13.782 1.050 -0.545 1.00 0.00 C ATOM 342 CG ARG A 22 -12.948 0.150 -1.456 1.00 0.00 C ATOM 343 CD ARG A 22 -12.834 0.789 -2.840 1.00 0.00 C ATOM 344 NE ARG A 22 -11.392 0.686 -3.194 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.857 -0.475 -3.463 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.340 -1.197 -2.506 1.00 0.00 N ATOM 347 NH2 ARG A 22 -10.832 -0.912 -4.692 1.00 0.00 N ATOM 0 H ARG A 22 -11.377 2.031 1.093 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.259 2.553 -1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.013 0.530 0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.733 1.288 -1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.956 0.002 -1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.411 -0.834 -1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.457 0.269 -3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.163 1.828 -2.823 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.817 1.528 -3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.353 -0.855 -1.545 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.923 -2.103 -2.719 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.230 -0.347 -5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.414 -1.818 -4.903 1.00 0.00 H new ATOM 361 N LYS A 23 -14.359 4.012 -1.367 1.00 0.00 N ATOM 362 CA LYS A 23 -15.286 5.179 -1.408 1.00 0.00 C ATOM 363 C LYS A 23 -16.453 4.909 -2.366 1.00 0.00 C ATOM 364 O LYS A 23 -17.559 5.360 -2.139 1.00 0.00 O ATOM 365 CB LYS A 23 -14.439 6.345 -1.915 1.00 0.00 C ATOM 366 CG LYS A 23 -13.289 6.609 -0.940 1.00 0.00 C ATOM 367 CD LYS A 23 -13.844 7.152 0.381 1.00 0.00 C ATOM 368 CE LYS A 23 -13.235 6.374 1.553 1.00 0.00 C ATOM 369 NZ LYS A 23 -12.285 7.326 2.194 1.00 0.00 N ATOM 0 H LYS A 23 -14.081 3.646 -2.278 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.723 5.385 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.044 6.117 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.056 7.238 -2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.733 5.689 -0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.590 7.324 -1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.612 8.213 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.930 7.061 0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.004 6.051 2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.722 5.477 1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.827 6.866 3.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.561 7.611 1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.803 8.167 2.519 1.00 0.00 H new ATOM 383 N SER A 24 -16.220 4.176 -3.434 1.00 0.00 N ATOM 384 CA SER A 24 -17.327 3.883 -4.411 1.00 0.00 C ATOM 385 C SER A 24 -16.769 3.287 -5.709 1.00 0.00 C ATOM 386 O SER A 24 -15.630 2.870 -5.777 1.00 0.00 O ATOM 387 CB SER A 24 -17.990 5.233 -4.707 1.00 0.00 C ATOM 388 OG SER A 24 -19.215 5.321 -3.993 1.00 0.00 O ATOM 0 H SER A 24 -15.315 3.769 -3.672 1.00 0.00 H new ATOM 0 HA SER A 24 -18.030 3.159 -3.999 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.327 6.048 -4.417 1.00 0.00 H new ATOM 0 HB3 SER A 24 -18.171 5.335 -5.777 1.00 0.00 H new ATOM 0 HG SER A 24 -19.037 5.269 -3.031 1.00 0.00 H new ATOM 394 N GLY A 25 -17.574 3.254 -6.744 1.00 0.00 N ATOM 395 CA GLY A 25 -17.110 2.696 -8.049 1.00 0.00 C ATOM 396 C GLY A 25 -17.620 1.263 -8.209 1.00 0.00 C ATOM 397 O GLY A 25 -18.525 0.993 -8.973 1.00 0.00 O ATOM 0 H GLY A 25 -18.536 3.592 -6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.473 3.315 -8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.021 2.712 -8.095 1.00 0.00 H new ATOM 401 N ALA A 26 -17.037 0.350 -7.490 1.00 0.00 N ATOM 402 CA ALA A 26 -17.459 -1.078 -7.576 1.00 0.00 C ATOM 403 C ALA A 26 -16.819 -1.843 -6.421 1.00 0.00 C ATOM 404 O ALA A 26 -17.434 -2.671 -5.779 1.00 0.00 O ATOM 405 CB ALA A 26 -16.914 -1.571 -8.917 1.00 0.00 C ATOM 0 H ALA A 26 -16.275 0.532 -6.836 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.539 -1.214 -7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.183 -2.618 -9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.341 -0.976 -9.724 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.829 -1.471 -8.928 1.00 0.00 H new ATOM 411 N THR A 27 -15.584 -1.535 -6.146 1.00 0.00 N ATOM 412 CA THR A 27 -14.858 -2.189 -5.026 1.00 0.00 C ATOM 413 C THR A 27 -15.306 -1.574 -3.693 1.00 0.00 C ATOM 414 O THR A 27 -14.857 -1.969 -2.637 1.00 0.00 O ATOM 415 CB THR A 27 -13.383 -1.872 -5.298 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.239 -0.476 -5.537 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.909 -2.656 -6.526 1.00 0.00 C ATOM 0 H THR A 27 -15.038 -0.844 -6.661 1.00 0.00 H new ATOM 0 HA THR A 27 -15.044 -3.261 -4.962 1.00 0.00 H new ATOM 0 HB THR A 27 -12.782 -2.158 -4.435 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.021 -0.326 -6.481 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.860 -2.430 -6.719 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.022 -3.724 -6.342 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.507 -2.372 -7.392 1.00 0.00 H new ATOM 425 N CYS A 28 -16.187 -0.600 -3.745 1.00 0.00 N ATOM 426 CA CYS A 28 -16.676 0.071 -2.501 1.00 0.00 C ATOM 427 C CYS A 28 -16.936 -0.938 -1.377 1.00 0.00 C ATOM 428 O CYS A 28 -17.568 -1.957 -1.576 1.00 0.00 O ATOM 429 CB CYS A 28 -17.985 0.747 -2.913 1.00 0.00 C ATOM 430 SG CYS A 28 -18.469 1.947 -1.647 1.00 0.00 S ATOM 0 H CYS A 28 -16.591 -0.239 -4.609 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.938 0.773 -2.113 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.862 1.246 -3.874 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -18.768 -0.000 -3.040 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.580 2.523 -1.998 1.00 0.00 H new ATOM 436 N GLY A 29 -16.466 -0.647 -0.192 1.00 0.00 N ATOM 437 CA GLY A 29 -16.699 -1.577 0.953 1.00 0.00 C ATOM 438 C GLY A 29 -15.390 -2.253 1.379 1.00 0.00 C ATOM 439 O GLY A 29 -15.305 -2.826 2.448 1.00 0.00 O ATOM 0 H GLY A 29 -15.932 0.193 0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.120 -1.027 1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.430 -2.335 0.669 1.00 0.00 H new ATOM 443 N ARG A 30 -14.371 -2.200 0.561 1.00 0.00 N ATOM 444 CA ARG A 30 -13.081 -2.851 0.941 1.00 0.00 C ATOM 445 C ARG A 30 -12.253 -1.914 1.822 1.00 0.00 C ATOM 446 O ARG A 30 -12.537 -0.737 1.929 1.00 0.00 O ATOM 447 CB ARG A 30 -12.361 -3.125 -0.380 1.00 0.00 C ATOM 448 CG ARG A 30 -13.136 -4.178 -1.173 1.00 0.00 C ATOM 449 CD ARG A 30 -12.246 -4.740 -2.284 1.00 0.00 C ATOM 450 NE ARG A 30 -12.968 -5.944 -2.786 1.00 0.00 N ATOM 451 CZ ARG A 30 -12.349 -6.805 -3.546 1.00 0.00 C ATOM 452 NH1 ARG A 30 -11.444 -7.595 -3.035 1.00 0.00 N ATOM 453 NH2 ARG A 30 -12.635 -6.877 -4.817 1.00 0.00 N ATOM 0 H ARG A 30 -14.375 -1.737 -0.348 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.238 -3.766 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.279 -2.205 -0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.346 -3.473 -0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.460 -4.981 -0.511 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.035 -3.736 -1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.098 -4.009 -3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.259 -5.002 -1.904 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.945 -6.094 -2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.221 -7.539 -2.041 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.960 -8.268 -3.629 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.342 -6.260 -5.216 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.151 -7.550 -5.411 1.00 0.00 H new ATOM 467 N SER A 31 -11.234 -2.429 2.456 1.00 0.00 N ATOM 468 CA SER A 31 -10.390 -1.571 3.335 1.00 0.00 C ATOM 469 C SER A 31 -8.913 -1.696 2.953 1.00 0.00 C ATOM 470 O SER A 31 -8.255 -2.664 3.281 1.00 0.00 O ATOM 471 CB SER A 31 -10.625 -2.100 4.749 1.00 0.00 C ATOM 472 OG SER A 31 -10.399 -3.502 4.769 1.00 0.00 O ATOM 0 H SER A 31 -10.950 -3.407 2.403 1.00 0.00 H new ATOM 0 HA SER A 31 -10.647 -0.516 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.957 -1.602 5.452 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.644 -1.880 5.067 1.00 0.00 H new ATOM 0 HG SER A 31 -10.699 -3.869 5.627 1.00 0.00 H new ATOM 478 N ASP A 32 -8.389 -0.715 2.269 1.00 0.00 N ATOM 479 CA ASP A 32 -6.953 -0.759 1.867 1.00 0.00 C ATOM 480 C ASP A 32 -6.122 0.097 2.822 1.00 0.00 C ATOM 481 O ASP A 32 -6.361 1.278 2.983 1.00 0.00 O ATOM 482 CB ASP A 32 -6.924 -0.185 0.451 1.00 0.00 C ATOM 483 CG ASP A 32 -7.567 -1.181 -0.517 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.544 -1.802 -0.134 1.00 0.00 O ATOM 485 OD2 ASP A 32 -7.069 -1.306 -1.624 1.00 0.00 O ATOM 0 H ASP A 32 -8.895 0.118 1.970 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.536 -1.766 1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.459 0.764 0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.896 0.018 0.151 1.00 0.00 H new ATOM 490 N THR A 33 -5.147 -0.492 3.460 1.00 0.00 N ATOM 491 CA THR A 33 -4.302 0.282 4.412 1.00 0.00 C ATOM 492 C THR A 33 -2.994 0.698 3.735 1.00 0.00 C ATOM 493 O THR A 33 -2.228 -0.126 3.277 1.00 0.00 O ATOM 494 CB THR A 33 -4.032 -0.679 5.572 1.00 0.00 C ATOM 495 OG1 THR A 33 -5.268 -1.078 6.149 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.175 0.017 6.630 1.00 0.00 C ATOM 0 H THR A 33 -4.899 -1.477 3.362 1.00 0.00 H new ATOM 0 HA THR A 33 -4.787 1.198 4.750 1.00 0.00 H new ATOM 0 HB THR A 33 -3.501 -1.556 5.201 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.111 -1.419 7.054 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.985 -0.670 7.454 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.227 0.323 6.187 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.701 0.895 7.004 1.00 0.00 H new ATOM 504 N TYR A 34 -2.740 1.978 3.668 1.00 0.00 N ATOM 505 CA TYR A 34 -1.489 2.464 3.022 1.00 0.00 C ATOM 506 C TYR A 34 -0.512 2.955 4.093 1.00 0.00 C ATOM 507 O TYR A 34 -0.900 3.237 5.211 1.00 0.00 O ATOM 508 CB TYR A 34 -1.937 3.613 2.123 1.00 0.00 C ATOM 509 CG TYR A 34 -2.841 3.071 1.044 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.189 2.803 1.320 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.329 2.832 -0.234 1.00 0.00 C ATOM 512 CE1 TYR A 34 -5.019 2.300 0.314 1.00 0.00 C ATOM 513 CE2 TYR A 34 -3.159 2.328 -1.238 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.506 2.062 -0.965 1.00 0.00 C ATOM 515 OH TYR A 34 -5.326 1.565 -1.958 1.00 0.00 O ATOM 0 H TYR A 34 -3.349 2.710 4.035 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.974 1.687 2.456 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.462 4.367 2.710 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.071 4.102 1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.585 2.985 2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.290 3.037 -0.446 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.058 2.095 0.525 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.762 2.143 -2.225 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.811 1.459 -2.785 1.00 0.00 H new ATOM 525 N TYR A 35 0.752 3.049 3.775 1.00 0.00 N ATOM 526 CA TYR A 35 1.739 3.511 4.797 1.00 0.00 C ATOM 527 C TYR A 35 2.757 4.469 4.177 1.00 0.00 C ATOM 528 O TYR A 35 3.088 4.374 3.011 1.00 0.00 O ATOM 529 CB TYR A 35 2.455 2.244 5.289 1.00 0.00 C ATOM 530 CG TYR A 35 1.505 1.068 5.286 1.00 0.00 C ATOM 531 CD1 TYR A 35 1.324 0.319 4.118 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.808 0.728 6.452 1.00 0.00 C ATOM 533 CE1 TYR A 35 0.445 -0.769 4.114 1.00 0.00 C ATOM 534 CE2 TYR A 35 -0.071 -0.359 6.448 1.00 0.00 C ATOM 535 CZ TYR A 35 -0.254 -1.109 5.279 1.00 0.00 C ATOM 536 OH TYR A 35 -1.122 -2.183 5.272 1.00 0.00 O ATOM 0 H TYR A 35 1.143 2.828 2.859 1.00 0.00 H new ATOM 0 HA TYR A 35 1.243 4.045 5.607 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.311 2.030 4.649 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.842 2.405 6.295 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.863 0.581 3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.949 1.305 7.354 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.305 -1.347 3.212 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.609 -0.621 7.347 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.811 -2.851 4.625 1.00 0.00 H new ATOM 546 N GLN A 36 3.272 5.377 4.961 1.00 0.00 N ATOM 547 CA GLN A 36 4.290 6.333 4.440 1.00 0.00 C ATOM 548 C GLN A 36 5.625 6.065 5.135 1.00 0.00 C ATOM 549 O GLN A 36 5.674 5.826 6.327 1.00 0.00 O ATOM 550 CB GLN A 36 3.763 7.726 4.793 1.00 0.00 C ATOM 551 CG GLN A 36 4.771 8.794 4.348 1.00 0.00 C ATOM 552 CD GLN A 36 4.882 9.873 5.426 1.00 0.00 C ATOM 553 OE1 GLN A 36 4.509 11.008 5.207 1.00 0.00 O ATOM 554 NE2 GLN A 36 5.384 9.565 6.591 1.00 0.00 N ATOM 0 H GLN A 36 3.030 5.498 5.944 1.00 0.00 H new ATOM 0 HA GLN A 36 4.450 6.236 3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.802 7.895 4.306 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.593 7.799 5.867 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.746 8.339 4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.453 9.239 3.405 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.697 8.612 6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.463 10.277 7.317 1.00 0.00 H new ATOM 563 N SER A 37 6.705 6.098 4.404 1.00 0.00 N ATOM 564 CA SER A 37 8.038 5.840 5.023 1.00 0.00 C ATOM 565 C SER A 37 8.251 6.761 6.229 1.00 0.00 C ATOM 566 O SER A 37 7.403 7.579 6.530 1.00 0.00 O ATOM 567 CB SER A 37 9.040 6.127 3.913 1.00 0.00 C ATOM 568 OG SER A 37 9.128 4.983 3.077 1.00 0.00 O ATOM 0 H SER A 37 6.723 6.293 3.403 1.00 0.00 H new ATOM 0 HA SER A 37 8.140 4.822 5.400 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.725 6.995 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.016 6.363 4.336 1.00 0.00 H new ATOM 0 HG SER A 37 10.015 4.949 2.661 1.00 0.00 H new ATOM 574 N PRO A 38 9.356 6.585 6.912 1.00 0.00 N ATOM 575 CA PRO A 38 9.620 7.398 8.109 1.00 0.00 C ATOM 576 C PRO A 38 10.204 8.766 7.762 1.00 0.00 C ATOM 577 O PRO A 38 10.488 9.552 8.645 1.00 0.00 O ATOM 578 CB PRO A 38 10.625 6.569 8.895 1.00 0.00 C ATOM 579 CG PRO A 38 11.318 5.712 7.882 1.00 0.00 C ATOM 580 CD PRO A 38 10.446 5.636 6.648 1.00 0.00 C ATOM 0 HA PRO A 38 8.706 7.612 8.664 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.335 7.208 9.420 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.127 5.960 9.649 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.293 6.131 7.633 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.494 4.715 8.285 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.002 5.909 5.751 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.065 4.627 6.492 1.00 0.00 H new ATOM 588 N THR A 39 10.401 9.076 6.506 1.00 0.00 N ATOM 589 CA THR A 39 10.980 10.417 6.201 1.00 0.00 C ATOM 590 C THR A 39 10.837 10.811 4.724 1.00 0.00 C ATOM 591 O THR A 39 11.528 11.696 4.255 1.00 0.00 O ATOM 592 CB THR A 39 12.447 10.293 6.606 1.00 0.00 C ATOM 593 OG1 THR A 39 13.095 11.546 6.424 1.00 0.00 O ATOM 594 CG2 THR A 39 13.137 9.228 5.750 1.00 0.00 C ATOM 0 H THR A 39 10.194 8.481 5.704 1.00 0.00 H new ATOM 0 HA THR A 39 10.456 11.207 6.739 1.00 0.00 H new ATOM 0 HB THR A 39 12.507 10.000 7.654 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.727 11.993 5.633 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.183 9.146 6.045 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.642 8.268 5.895 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.078 9.511 4.699 1.00 0.00 H new ATOM 602 N GLY A 40 9.932 10.212 3.989 1.00 0.00 N ATOM 603 CA GLY A 40 9.762 10.634 2.565 1.00 0.00 C ATOM 604 C GLY A 40 9.710 9.440 1.606 1.00 0.00 C ATOM 605 O GLY A 40 10.674 9.126 0.937 1.00 0.00 O ATOM 0 H GLY A 40 9.315 9.464 4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.845 11.215 2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.586 11.289 2.282 1.00 0.00 H new ATOM 609 N ASP A 41 8.575 8.801 1.509 1.00 0.00 N ATOM 610 CA ASP A 41 8.416 7.653 0.562 1.00 0.00 C ATOM 611 C ASP A 41 7.007 7.071 0.696 1.00 0.00 C ATOM 612 O ASP A 41 6.625 6.576 1.739 1.00 0.00 O ATOM 613 CB ASP A 41 9.471 6.618 0.955 1.00 0.00 C ATOM 614 CG ASP A 41 10.405 6.367 -0.231 1.00 0.00 C ATOM 615 OD1 ASP A 41 11.166 7.261 -0.562 1.00 0.00 O ATOM 616 OD2 ASP A 41 10.341 5.284 -0.789 1.00 0.00 O ATOM 0 H ASP A 41 7.741 9.026 2.051 1.00 0.00 H new ATOM 0 HA ASP A 41 8.548 7.961 -0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.042 6.973 1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.989 5.688 1.256 1.00 0.00 H new ATOM 621 N ARG A 42 6.228 7.138 -0.351 1.00 0.00 N ATOM 622 CA ARG A 42 4.837 6.601 -0.286 1.00 0.00 C ATOM 623 C ARG A 42 4.836 5.080 -0.450 1.00 0.00 C ATOM 624 O ARG A 42 5.543 4.531 -1.273 1.00 0.00 O ATOM 625 CB ARG A 42 4.102 7.268 -1.451 1.00 0.00 C ATOM 626 CG ARG A 42 3.929 8.760 -1.155 1.00 0.00 C ATOM 627 CD ARG A 42 3.023 8.937 0.066 1.00 0.00 C ATOM 628 NE ARG A 42 2.209 10.149 -0.231 1.00 0.00 N ATOM 629 CZ ARG A 42 1.144 10.407 0.478 1.00 0.00 C ATOM 630 NH1 ARG A 42 0.290 9.458 0.742 1.00 0.00 N ATOM 631 NH2 ARG A 42 0.934 11.616 0.922 1.00 0.00 N ATOM 0 H ARG A 42 6.495 7.542 -1.249 1.00 0.00 H new ATOM 0 HA ARG A 42 4.363 6.810 0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.663 7.132 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.129 6.800 -1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.900 9.220 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.496 9.265 -2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.389 8.063 0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.608 9.068 0.976 1.00 0.00 H new ATOM 0 HE ARG A 42 2.484 10.776 -0.987 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.454 8.513 0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.542 9.660 1.296 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.602 12.359 0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.102 11.818 1.476 1.00 0.00 H new ATOM 645 N ILE A 43 4.044 4.398 0.333 1.00 0.00 N ATOM 646 CA ILE A 43 3.985 2.913 0.238 1.00 0.00 C ATOM 647 C ILE A 43 2.532 2.450 0.392 1.00 0.00 C ATOM 648 O ILE A 43 1.731 3.102 1.034 1.00 0.00 O ATOM 649 CB ILE A 43 4.869 2.422 1.389 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.333 2.535 0.961 1.00 0.00 C ATOM 651 CG2 ILE A 43 4.546 0.963 1.729 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.233 2.428 2.189 1.00 0.00 C ATOM 0 H ILE A 43 3.432 4.809 1.038 1.00 0.00 H new ATOM 0 HA ILE A 43 4.331 2.522 -0.719 1.00 0.00 H new ATOM 0 HB ILE A 43 4.684 3.032 2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.576 1.746 0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.502 3.485 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.183 0.631 2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.500 0.882 2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.724 0.338 0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.276 2.509 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.996 3.232 2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.071 1.467 2.676 1.00 0.00 H new ATOM 664 N ARG A 44 2.179 1.344 -0.207 1.00 0.00 N ATOM 665 CA ARG A 44 0.769 0.865 -0.106 1.00 0.00 C ATOM 666 C ARG A 44 0.707 -0.593 0.365 1.00 0.00 C ATOM 667 O ARG A 44 -0.363 -1.140 0.546 1.00 0.00 O ATOM 668 CB ARG A 44 0.199 0.983 -1.524 1.00 0.00 C ATOM 669 CG ARG A 44 0.684 2.279 -2.182 1.00 0.00 C ATOM 670 CD ARG A 44 -0.336 2.732 -3.228 1.00 0.00 C ATOM 671 NE ARG A 44 -0.838 4.041 -2.730 1.00 0.00 N ATOM 672 CZ ARG A 44 -0.122 5.120 -2.889 1.00 0.00 C ATOM 673 NH1 ARG A 44 0.382 5.403 -4.059 1.00 0.00 N ATOM 674 NH2 ARG A 44 0.094 5.915 -1.877 1.00 0.00 N ATOM 0 H ARG A 44 2.802 0.754 -0.759 1.00 0.00 H new ATOM 0 HA ARG A 44 0.205 1.451 0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.509 0.125 -2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.890 0.970 -1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.817 3.055 -1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.655 2.120 -2.650 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.124 2.833 -4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.146 2.010 -3.328 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.743 4.095 -2.263 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.216 4.780 -4.850 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.942 6.247 -4.183 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.297 5.693 -0.961 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.654 6.759 -2.002 1.00 0.00 H new ATOM 688 N SER A 45 1.831 -1.235 0.559 1.00 0.00 N ATOM 689 CA SER A 45 1.800 -2.658 1.012 1.00 0.00 C ATOM 690 C SER A 45 3.136 -3.043 1.659 1.00 0.00 C ATOM 691 O SER A 45 3.948 -2.193 1.968 1.00 0.00 O ATOM 692 CB SER A 45 1.556 -3.461 -0.264 1.00 0.00 C ATOM 693 OG SER A 45 0.194 -3.328 -0.647 1.00 0.00 O ATOM 0 H SER A 45 2.761 -0.839 0.425 1.00 0.00 H new ATOM 0 HA SER A 45 1.032 -2.842 1.764 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.207 -3.105 -1.062 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.799 -4.511 -0.099 1.00 0.00 H new ATOM 0 HG SER A 45 -0.277 -2.772 0.008 1.00 0.00 H new ATOM 699 N LYS A 46 3.371 -4.314 1.868 1.00 0.00 N ATOM 700 CA LYS A 46 4.658 -4.736 2.497 1.00 0.00 C ATOM 701 C LYS A 46 5.785 -4.677 1.472 1.00 0.00 C ATOM 702 O LYS A 46 6.842 -4.139 1.735 1.00 0.00 O ATOM 703 CB LYS A 46 4.443 -6.171 2.970 1.00 0.00 C ATOM 704 CG LYS A 46 5.465 -6.501 4.060 1.00 0.00 C ATOM 705 CD LYS A 46 5.307 -7.962 4.484 1.00 0.00 C ATOM 706 CE LYS A 46 6.345 -8.817 3.755 1.00 0.00 C ATOM 707 NZ LYS A 46 6.103 -10.207 4.232 1.00 0.00 N ATOM 0 H LYS A 46 2.732 -5.073 1.632 1.00 0.00 H new ATOM 0 HA LYS A 46 4.936 -4.083 3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.431 -6.291 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.550 -6.862 2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.475 -6.326 3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.321 -5.845 4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.435 -8.055 5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.302 -8.313 4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.227 -8.745 2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.359 -8.491 3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.877 -10.824 3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.061 -10.215 5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.202 -10.554 3.847 1.00 0.00 H new ATOM 721 N VAL A 47 5.567 -5.212 0.295 1.00 0.00 N ATOM 722 CA VAL A 47 6.631 -5.165 -0.748 1.00 0.00 C ATOM 723 C VAL A 47 7.109 -3.718 -0.900 1.00 0.00 C ATOM 724 O VAL A 47 8.291 -3.442 -0.851 1.00 0.00 O ATOM 725 CB VAL A 47 5.953 -5.672 -2.020 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.697 -5.167 -3.258 1.00 0.00 C ATOM 727 CG2 VAL A 47 5.950 -7.202 -2.018 1.00 0.00 C ATOM 0 H VAL A 47 4.703 -5.676 0.016 1.00 0.00 H new ATOM 0 HA VAL A 47 7.507 -5.768 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 47 4.929 -5.299 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.202 -5.537 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.694 -4.077 -3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.726 -5.527 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.467 -7.566 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.976 -7.568 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.405 -7.564 -1.146 1.00 0.00 H new ATOM 737 N GLU A 48 6.192 -2.789 -1.046 1.00 0.00 N ATOM 738 CA GLU A 48 6.592 -1.356 -1.160 1.00 0.00 C ATOM 739 C GLU A 48 7.519 -1.019 0.008 1.00 0.00 C ATOM 740 O GLU A 48 8.480 -0.283 -0.125 1.00 0.00 O ATOM 741 CB GLU A 48 5.288 -0.561 -1.062 1.00 0.00 C ATOM 742 CG GLU A 48 4.847 -0.126 -2.461 1.00 0.00 C ATOM 743 CD GLU A 48 5.315 1.306 -2.723 1.00 0.00 C ATOM 744 OE1 GLU A 48 6.457 1.603 -2.410 1.00 0.00 O ATOM 745 OE2 GLU A 48 4.525 2.084 -3.232 1.00 0.00 O ATOM 0 H GLU A 48 5.188 -2.964 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 48 7.119 -1.130 -2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.512 -1.170 -0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.430 0.313 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.264 -0.799 -3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.762 -0.186 -2.547 1.00 0.00 H new ATOM 752 N LEU A 49 7.245 -1.597 1.147 1.00 0.00 N ATOM 753 CA LEU A 49 8.111 -1.371 2.336 1.00 0.00 C ATOM 754 C LEU A 49 9.470 -2.004 2.064 1.00 0.00 C ATOM 755 O LEU A 49 10.510 -1.429 2.315 1.00 0.00 O ATOM 756 CB LEU A 49 7.404 -2.100 3.484 1.00 0.00 C ATOM 757 CG LEU A 49 7.255 -1.168 4.683 1.00 0.00 C ATOM 758 CD1 LEU A 49 6.014 -0.293 4.494 1.00 0.00 C ATOM 759 CD2 LEU A 49 7.099 -2.005 5.956 1.00 0.00 C ATOM 0 H LEU A 49 6.453 -2.220 1.304 1.00 0.00 H new ATOM 0 HA LEU A 49 8.264 -0.317 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.423 -2.445 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.974 -2.984 3.769 1.00 0.00 H new ATOM 0 HG LEU A 49 8.138 -0.534 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.905 0.374 5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.121 0.298 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.131 -0.927 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.992 -1.343 6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.214 -2.635 5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.980 -2.633 6.089 1.00 0.00 H new ATOM 771 N THR A 50 9.451 -3.194 1.532 1.00 0.00 N ATOM 772 CA THR A 50 10.718 -3.901 1.210 1.00 0.00 C ATOM 773 C THR A 50 11.500 -3.122 0.145 1.00 0.00 C ATOM 774 O THR A 50 12.683 -3.327 -0.044 1.00 0.00 O ATOM 775 CB THR A 50 10.270 -5.263 0.671 1.00 0.00 C ATOM 776 OG1 THR A 50 9.509 -5.933 1.665 1.00 0.00 O ATOM 777 CG2 THR A 50 11.493 -6.107 0.312 1.00 0.00 C ATOM 0 H THR A 50 8.602 -3.711 1.305 1.00 0.00 H new ATOM 0 HA THR A 50 11.378 -3.999 2.072 1.00 0.00 H new ATOM 0 HB THR A 50 9.662 -5.116 -0.222 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.219 -6.804 1.323 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.168 -7.074 -0.071 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.078 -5.593 -0.451 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.106 -6.256 1.201 1.00 0.00 H new ATOM 785 N ARG A 51 10.845 -2.227 -0.552 1.00 0.00 N ATOM 786 CA ARG A 51 11.549 -1.436 -1.604 1.00 0.00 C ATOM 787 C ARG A 51 12.382 -0.320 -0.963 1.00 0.00 C ATOM 788 O ARG A 51 13.593 -0.304 -1.061 1.00 0.00 O ATOM 789 CB ARG A 51 10.438 -0.837 -2.467 1.00 0.00 C ATOM 790 CG ARG A 51 9.552 -1.954 -3.020 1.00 0.00 C ATOM 791 CD ARG A 51 9.094 -1.593 -4.435 1.00 0.00 C ATOM 792 NE ARG A 51 10.284 -1.838 -5.299 1.00 0.00 N ATOM 793 CZ ARG A 51 10.150 -1.886 -6.595 1.00 0.00 C ATOM 794 NH1 ARG A 51 9.406 -2.809 -7.142 1.00 0.00 N ATOM 795 NH2 ARG A 51 10.760 -1.010 -7.347 1.00 0.00 N ATOM 0 H ARG A 51 9.855 -2.011 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 51 12.233 -2.052 -2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.839 -0.144 -1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.871 -0.264 -3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.102 -2.895 -3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.687 -2.100 -2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.248 -2.207 -4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.772 -0.553 -4.492 1.00 0.00 H new ATOM 0 HE ARG A 51 11.203 -1.968 -4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.929 -3.493 -6.555 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.302 -2.846 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.341 -0.288 -6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.655 -1.047 -8.361 1.00 0.00 H new ATOM 809 N TYR A 52 11.740 0.615 -0.309 1.00 0.00 N ATOM 810 CA TYR A 52 12.494 1.736 0.337 1.00 0.00 C ATOM 811 C TYR A 52 13.510 1.182 1.340 1.00 0.00 C ATOM 812 O TYR A 52 14.528 1.791 1.607 1.00 0.00 O ATOM 813 CB TYR A 52 11.428 2.571 1.056 1.00 0.00 C ATOM 814 CG TYR A 52 11.960 3.957 1.369 1.00 0.00 C ATOM 815 CD1 TYR A 52 12.729 4.654 0.425 1.00 0.00 C ATOM 816 CD2 TYR A 52 11.668 4.553 2.604 1.00 0.00 C ATOM 817 CE1 TYR A 52 13.202 5.939 0.719 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.139 5.835 2.895 1.00 0.00 C ATOM 819 CZ TYR A 52 12.907 6.530 1.953 1.00 0.00 C ATOM 820 OH TYR A 52 13.373 7.797 2.242 1.00 0.00 O ATOM 0 H TYR A 52 10.727 0.652 -0.194 1.00 0.00 H new ATOM 0 HA TYR A 52 13.054 2.328 -0.387 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.537 2.649 0.432 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.129 2.073 1.978 1.00 0.00 H new ATOM 0 HD1 TYR A 52 12.956 4.200 -0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.077 4.019 3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.795 6.475 -0.007 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.911 6.291 3.847 1.00 0.00 H new ATOM 0 HH TYR A 52 12.706 8.461 1.969 1.00 0.00 H new ATOM 830 N LEU A 53 13.241 0.032 1.894 1.00 0.00 N ATOM 831 CA LEU A 53 14.189 -0.568 2.877 1.00 0.00 C ATOM 832 C LEU A 53 15.308 -1.325 2.149 1.00 0.00 C ATOM 833 O LEU A 53 16.173 -1.914 2.767 1.00 0.00 O ATOM 834 CB LEU A 53 13.337 -1.527 3.708 1.00 0.00 C ATOM 835 CG LEU A 53 12.222 -0.745 4.404 1.00 0.00 C ATOM 836 CD1 LEU A 53 11.182 -1.721 4.953 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.813 0.074 5.555 1.00 0.00 C ATOM 0 H LEU A 53 12.404 -0.520 1.708 1.00 0.00 H new ATOM 0 HA LEU A 53 14.676 0.186 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.910 -2.299 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.957 -2.034 4.448 1.00 0.00 H new ATOM 0 HG LEU A 53 11.748 -0.074 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.387 -1.164 5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.761 -2.303 4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.656 -2.393 5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.018 0.631 6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.288 -0.596 6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.554 0.770 5.163 1.00 0.00 H new ATOM 849 N GLY A 54 15.300 -1.310 0.840 1.00 0.00 N ATOM 850 CA GLY A 54 16.364 -2.023 0.075 1.00 0.00 C ATOM 851 C GLY A 54 15.898 -3.444 -0.252 1.00 0.00 C ATOM 852 O GLY A 54 15.073 -3.999 0.444 1.00 0.00 O ATOM 0 H GLY A 54 14.602 -0.834 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.589 -1.483 -0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.284 -2.057 0.658 1.00 0.00 H new ATOM 856 N PRO A 55 16.442 -3.990 -1.309 1.00 0.00 N ATOM 857 CA PRO A 55 16.071 -5.365 -1.725 1.00 0.00 C ATOM 858 C PRO A 55 16.720 -6.408 -0.804 1.00 0.00 C ATOM 859 O PRO A 55 16.485 -7.593 -0.937 1.00 0.00 O ATOM 860 CB PRO A 55 16.633 -5.474 -3.140 1.00 0.00 C ATOM 861 CG PRO A 55 17.755 -4.486 -3.193 1.00 0.00 C ATOM 862 CD PRO A 55 17.439 -3.391 -2.205 1.00 0.00 C ATOM 0 HA PRO A 55 14.997 -5.547 -1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 55 16.987 -6.484 -3.346 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.871 -5.245 -3.885 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.701 -4.966 -2.944 1.00 0.00 H new ATOM 0 HG3 PRO A 55 17.860 -4.078 -4.198 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.329 -3.079 -1.658 1.00 0.00 H new ATOM 0 HD3 PRO A 55 17.045 -2.506 -2.704 1.00 0.00 H new ATOM 870 N ALA A 56 17.535 -5.979 0.125 1.00 0.00 N ATOM 871 CA ALA A 56 18.199 -6.949 1.045 1.00 0.00 C ATOM 872 C ALA A 56 17.498 -6.977 2.408 1.00 0.00 C ATOM 873 O ALA A 56 17.752 -7.843 3.223 1.00 0.00 O ATOM 874 CB ALA A 56 19.630 -6.433 1.192 1.00 0.00 C ATOM 0 H ALA A 56 17.769 -4.999 0.286 1.00 0.00 H new ATOM 0 HA ALA A 56 18.163 -7.967 0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 56 20.188 -7.093 1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 56 20.111 -6.411 0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.613 -5.427 1.611 1.00 0.00 H new ATOM 880 N CYS A 57 16.623 -6.040 2.670 1.00 0.00 N ATOM 881 CA CYS A 57 15.921 -6.027 3.988 1.00 0.00 C ATOM 882 C CYS A 57 14.981 -7.232 4.100 1.00 0.00 C ATOM 883 O CYS A 57 15.054 -8.164 3.322 1.00 0.00 O ATOM 884 CB CYS A 57 15.134 -4.709 4.016 1.00 0.00 C ATOM 885 SG CYS A 57 13.746 -4.787 2.853 1.00 0.00 S ATOM 0 H CYS A 57 16.365 -5.287 2.032 1.00 0.00 H new ATOM 0 HA CYS A 57 16.615 -6.094 4.826 1.00 0.00 H new ATOM 0 HB2 CYS A 57 14.764 -4.519 5.023 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.791 -3.879 3.755 1.00 0.00 H new ATOM 0 HG CYS A 57 14.135 -4.371 1.684 1.00 0.00 H new ATOM 891 N ASP A 58 14.096 -7.218 5.061 1.00 0.00 N ATOM 892 CA ASP A 58 13.149 -8.359 5.225 1.00 0.00 C ATOM 893 C ASP A 58 12.059 -8.001 6.235 1.00 0.00 C ATOM 894 O ASP A 58 12.341 -7.556 7.330 1.00 0.00 O ATOM 895 CB ASP A 58 13.997 -9.511 5.760 1.00 0.00 C ATOM 896 CG ASP A 58 14.303 -10.497 4.630 1.00 0.00 C ATOM 897 OD1 ASP A 58 13.365 -10.940 3.987 1.00 0.00 O ATOM 898 OD2 ASP A 58 15.468 -10.791 4.426 1.00 0.00 O ATOM 0 H ASP A 58 13.988 -6.465 5.740 1.00 0.00 H new ATOM 0 HA ASP A 58 12.653 -8.613 4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.926 -9.126 6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.469 -10.020 6.566 1.00 0.00 H new ATOM 903 N LEU A 59 10.819 -8.205 5.883 1.00 0.00 N ATOM 904 CA LEU A 59 9.719 -7.887 6.836 1.00 0.00 C ATOM 905 C LEU A 59 8.718 -9.043 6.877 1.00 0.00 C ATOM 906 O LEU A 59 7.519 -8.839 6.866 1.00 0.00 O ATOM 907 CB LEU A 59 9.049 -6.617 6.296 1.00 0.00 C ATOM 908 CG LEU A 59 10.105 -5.551 5.972 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.411 -4.286 5.456 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.909 -5.213 7.235 1.00 0.00 C ATOM 0 H LEU A 59 10.521 -8.576 4.981 1.00 0.00 H new ATOM 0 HA LEU A 59 10.090 -7.738 7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.475 -6.854 5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.345 -6.229 7.032 1.00 0.00 H new ATOM 0 HG LEU A 59 10.781 -5.936 5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.160 -3.528 5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.846 -4.523 4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.733 -3.906 6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.657 -4.456 6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.236 -4.831 8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.406 -6.111 7.601 1.00 0.00 H new ATOM 922 N THR A 60 9.203 -10.254 6.920 1.00 0.00 N ATOM 923 CA THR A 60 8.285 -11.430 6.961 1.00 0.00 C ATOM 924 C THR A 60 7.382 -11.358 8.197 1.00 0.00 C ATOM 925 O THR A 60 6.332 -11.969 8.245 1.00 0.00 O ATOM 926 CB THR A 60 9.201 -12.655 7.036 1.00 0.00 C ATOM 927 OG1 THR A 60 10.438 -12.366 6.397 1.00 0.00 O ATOM 928 CG2 THR A 60 8.532 -13.838 6.335 1.00 0.00 C ATOM 0 H THR A 60 10.197 -10.481 6.929 1.00 0.00 H new ATOM 0 HA THR A 60 7.629 -11.467 6.091 1.00 0.00 H new ATOM 0 HB THR A 60 9.382 -12.906 8.081 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.116 -12.161 7.074 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.185 -14.709 6.389 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.585 -14.063 6.825 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.349 -13.586 5.290 1.00 0.00 H new ATOM 936 N LEU A 61 7.785 -10.617 9.196 1.00 0.00 N ATOM 937 CA LEU A 61 6.953 -10.507 10.429 1.00 0.00 C ATOM 938 C LEU A 61 6.029 -9.287 10.343 1.00 0.00 C ATOM 939 O LEU A 61 5.035 -9.204 11.038 1.00 0.00 O ATOM 940 CB LEU A 61 7.960 -10.337 11.568 1.00 0.00 C ATOM 941 CG LEU A 61 8.703 -11.655 11.794 1.00 0.00 C ATOM 942 CD1 LEU A 61 10.161 -11.364 12.158 1.00 0.00 C ATOM 943 CD2 LEU A 61 8.038 -12.425 12.938 1.00 0.00 C ATOM 0 H LEU A 61 8.654 -10.084 9.211 1.00 0.00 H new ATOM 0 HA LEU A 61 6.313 -11.377 10.573 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.669 -9.545 11.326 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.445 -10.036 12.481 1.00 0.00 H new ATOM 0 HG LEU A 61 8.668 -12.252 10.883 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.690 -12.303 12.319 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.636 -10.814 11.345 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.196 -10.767 13.069 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.567 -13.364 13.100 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.074 -11.827 13.848 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.999 -12.633 12.681 1.00 0.00 H new ATOM 955 N PHE A 62 6.346 -8.341 9.497 1.00 0.00 N ATOM 956 CA PHE A 62 5.481 -7.129 9.373 1.00 0.00 C ATOM 957 C PHE A 62 4.075 -7.527 8.918 1.00 0.00 C ATOM 958 O PHE A 62 3.905 -8.317 8.011 1.00 0.00 O ATOM 959 CB PHE A 62 6.159 -6.256 8.312 1.00 0.00 C ATOM 960 CG PHE A 62 5.294 -5.049 8.016 1.00 0.00 C ATOM 961 CD1 PHE A 62 4.213 -5.160 7.131 1.00 0.00 C ATOM 962 CD2 PHE A 62 5.573 -3.821 8.626 1.00 0.00 C ATOM 963 CE1 PHE A 62 3.414 -4.044 6.857 1.00 0.00 C ATOM 964 CE2 PHE A 62 4.772 -2.704 8.352 1.00 0.00 C ATOM 965 CZ PHE A 62 3.693 -2.817 7.468 1.00 0.00 C ATOM 0 H PHE A 62 7.164 -8.355 8.888 1.00 0.00 H new ATOM 0 HA PHE A 62 5.373 -6.604 10.322 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.140 -5.935 8.663 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.320 -6.833 7.401 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.996 -6.107 6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.406 -3.734 9.308 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.582 -4.130 6.174 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.987 -1.756 8.823 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.075 -1.956 7.257 1.00 0.00 H new ATOM 975 N ASP A 63 3.068 -6.970 9.533 1.00 0.00 N ATOM 976 CA ASP A 63 1.671 -7.296 9.129 1.00 0.00 C ATOM 977 C ASP A 63 1.112 -6.163 8.265 1.00 0.00 C ATOM 978 O ASP A 63 1.293 -4.999 8.564 1.00 0.00 O ATOM 979 CB ASP A 63 0.894 -7.416 10.439 1.00 0.00 C ATOM 980 CG ASP A 63 -0.554 -7.807 10.138 1.00 0.00 C ATOM 981 OD1 ASP A 63 -1.225 -7.045 9.461 1.00 0.00 O ATOM 982 OD2 ASP A 63 -0.969 -8.861 10.590 1.00 0.00 O ATOM 0 H ASP A 63 3.153 -6.302 10.299 1.00 0.00 H new ATOM 0 HA ASP A 63 1.605 -8.212 8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.358 -8.164 11.082 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.922 -6.470 10.979 1.00 0.00 H new ATOM 987 N PHE A 64 0.450 -6.491 7.191 1.00 0.00 N ATOM 988 CA PHE A 64 -0.106 -5.429 6.302 1.00 0.00 C ATOM 989 C PHE A 64 -1.350 -4.786 6.931 1.00 0.00 C ATOM 990 O PHE A 64 -1.345 -3.622 7.280 1.00 0.00 O ATOM 991 CB PHE A 64 -0.464 -6.157 5.000 1.00 0.00 C ATOM 992 CG PHE A 64 -1.260 -5.240 4.101 1.00 0.00 C ATOM 993 CD1 PHE A 64 -0.631 -4.171 3.452 1.00 0.00 C ATOM 994 CD2 PHE A 64 -2.631 -5.459 3.920 1.00 0.00 C ATOM 995 CE1 PHE A 64 -1.373 -3.323 2.622 1.00 0.00 C ATOM 996 CE2 PHE A 64 -3.372 -4.611 3.089 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.743 -3.543 2.441 1.00 0.00 C ATOM 0 H PHE A 64 0.269 -7.448 6.889 1.00 0.00 H new ATOM 0 HA PHE A 64 0.603 -4.618 6.136 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.445 -6.480 4.492 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.041 -7.055 5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.426 -4.001 3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.117 -6.283 4.422 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.888 -2.498 2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.429 -4.781 2.948 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.315 -2.888 1.801 1.00 0.00 H new ATOM 1007 N LYS A 65 -2.415 -5.530 7.065 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.664 -4.956 7.654 1.00 0.00 C ATOM 1009 C LYS A 65 -3.385 -4.287 9.006 1.00 0.00 C ATOM 1010 O LYS A 65 -4.066 -3.359 9.396 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.607 -6.147 7.831 1.00 0.00 C ATOM 1012 CG LYS A 65 -6.042 -5.709 7.526 1.00 0.00 C ATOM 1013 CD LYS A 65 -6.159 -5.322 6.047 1.00 0.00 C ATOM 1014 CE LYS A 65 -6.827 -3.950 5.926 1.00 0.00 C ATOM 1015 NZ LYS A 65 -8.255 -4.185 6.277 1.00 0.00 N ATOM 0 H LYS A 65 -2.476 -6.511 6.793 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.090 -4.184 7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.314 -6.959 7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.540 -6.529 8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.736 -6.517 7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.316 -4.863 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.171 -5.298 5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.742 -6.070 5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.369 -3.227 6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.729 -3.551 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.865 -3.767 5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.434 -5.208 6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.464 -3.744 7.195 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.397 -4.749 9.724 1.00 0.00 N ATOM 1030 CA GLN A 66 -2.091 -4.131 11.049 1.00 0.00 C ATOM 1031 C GLN A 66 -0.973 -3.094 10.907 1.00 0.00 C ATOM 1032 O GLN A 66 -1.079 -1.987 11.398 1.00 0.00 O ATOM 1033 CB GLN A 66 -1.644 -5.291 11.939 1.00 0.00 C ATOM 1034 CG GLN A 66 -2.766 -6.328 12.033 1.00 0.00 C ATOM 1035 CD GLN A 66 -2.580 -7.171 13.296 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -1.986 -6.723 14.258 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -3.065 -8.382 13.335 1.00 0.00 N ATOM 0 H GLN A 66 -1.791 -5.523 9.454 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.952 -3.609 11.468 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.744 -5.750 11.530 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.391 -4.923 12.933 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.735 -5.829 12.056 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.758 -6.969 11.151 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.563 -8.758 12.528 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.946 -8.952 14.172 1.00 0.00 H new ATOM 1046 N GLY A 67 0.097 -3.441 10.241 1.00 0.00 N ATOM 1047 CA GLY A 67 1.218 -2.472 10.071 1.00 0.00 C ATOM 1048 C GLY A 67 2.096 -2.479 11.322 1.00 0.00 C ATOM 1049 O GLY A 67 2.440 -1.443 11.858 1.00 0.00 O ATOM 0 H GLY A 67 0.242 -4.353 9.808 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.812 -2.737 9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.823 -1.471 9.897 1.00 0.00 H new ATOM 1053 N ILE A 68 2.462 -3.641 11.793 1.00 0.00 N ATOM 1054 CA ILE A 68 3.320 -3.721 13.013 1.00 0.00 C ATOM 1055 C ILE A 68 4.277 -4.909 12.908 1.00 0.00 C ATOM 1056 O ILE A 68 4.053 -5.835 12.152 1.00 0.00 O ATOM 1057 CB ILE A 68 2.360 -3.920 14.194 1.00 0.00 C ATOM 1058 CG1 ILE A 68 1.068 -4.599 13.722 1.00 0.00 C ATOM 1059 CG2 ILE A 68 2.024 -2.560 14.809 1.00 0.00 C ATOM 1060 CD1 ILE A 68 0.287 -5.114 14.932 1.00 0.00 C ATOM 0 H ILE A 68 2.204 -4.540 11.386 1.00 0.00 H new ATOM 0 HA ILE A 68 3.925 -2.822 13.135 1.00 0.00 H new ATOM 0 HB ILE A 68 2.841 -4.555 14.938 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.459 -3.893 13.158 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.304 -5.425 13.050 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.342 -2.699 15.648 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.939 -2.083 15.160 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.551 -1.928 14.058 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.631 -5.596 14.595 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.896 -5.835 15.478 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.038 -4.279 15.587 1.00 0.00 H new ATOM 1072 N LEU A 69 5.343 -4.891 13.663 1.00 0.00 N ATOM 1073 CA LEU A 69 6.315 -6.019 13.609 1.00 0.00 C ATOM 1074 C LEU A 69 5.907 -7.112 14.601 1.00 0.00 C ATOM 1075 O LEU A 69 6.436 -7.204 15.690 1.00 0.00 O ATOM 1076 CB LEU A 69 7.661 -5.405 14.002 1.00 0.00 C ATOM 1077 CG LEU A 69 8.530 -5.233 12.754 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.839 -4.541 13.134 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.838 -6.606 12.146 1.00 0.00 C ATOM 0 H LEU A 69 5.582 -4.143 14.315 1.00 0.00 H new ATOM 0 HA LEU A 69 6.356 -6.484 12.624 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.505 -4.440 14.485 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.167 -6.045 14.725 1.00 0.00 H new ATOM 0 HG LEU A 69 7.995 -4.626 12.024 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.457 -4.419 12.245 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.622 -3.562 13.562 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.372 -5.148 13.866 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.457 -6.480 11.258 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.371 -7.216 12.876 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.906 -7.100 11.872 1.00 0.00 H new