USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 CYS SG : rot 180:sc= -0.0131 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 54:sc= 1.17 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 28 CYS SG : rot 175:sc= -0.972 USER MOD Single : A 31 SER OG : rot 48:sc= 0.694 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 -4:sc= -1.6 USER MOD Single : A 36 GLN : amide:sc= -0.606 K(o=-0.61,f=-3.7!) USER MOD Single : A 37 SER OG : rot 135:sc= -0.384 USER MOD Single : A 39 THR OG1 : rot -52:sc= 0.822 USER MOD Single : A 45 SER OG : rot 46:sc= 0.661 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 78:sc= 0.163 USER MOD Single : A 52 TYR OH : rot 130:sc= -0.847 USER MOD Single : A 57 CYS SG : rot 146:sc= 0.401 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0617 USER MOD Single : A 65 LYS NZ :NH3+ -154:sc= 0.0773 (180deg=0.000724) USER MOD Single : A 66 GLN : amide:sc= -1.66 K(o=-1.7,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -3.894 9.940 9.527 1.00 0.00 N ATOM 56 CA TRP A 5 -2.499 9.412 9.508 1.00 0.00 C ATOM 57 C TRP A 5 -2.086 8.972 10.914 1.00 0.00 C ATOM 58 O TRP A 5 -2.027 9.768 11.832 1.00 0.00 O ATOM 59 CB TRP A 5 -1.636 10.584 9.038 1.00 0.00 C ATOM 60 CG TRP A 5 -1.578 10.593 7.544 1.00 0.00 C ATOM 61 CD1 TRP A 5 -2.014 11.603 6.756 1.00 0.00 C ATOM 62 CD2 TRP A 5 -1.065 9.567 6.647 1.00 0.00 C ATOM 63 NE1 TRP A 5 -1.800 11.262 5.433 1.00 0.00 N ATOM 64 CE2 TRP A 5 -1.217 10.016 5.314 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.487 8.302 6.859 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -0.811 9.238 4.229 1.00 0.00 C ATOM 67 CZ3 TRP A 5 -0.077 7.516 5.770 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.238 7.984 4.457 1.00 0.00 C ATOM 0 HA TRP A 5 -2.394 8.544 8.857 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.051 11.524 9.402 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -0.631 10.498 9.451 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.457 12.525 7.104 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.043 11.858 4.642 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.358 7.933 7.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.939 9.602 3.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.365 6.546 5.944 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.081 7.376 3.623 1.00 0.00 H new ATOM 79 N LEU A 6 -1.804 7.709 11.092 1.00 0.00 N ATOM 80 CA LEU A 6 -1.398 7.214 12.440 1.00 0.00 C ATOM 81 C LEU A 6 0.077 6.804 12.432 1.00 0.00 C ATOM 82 O LEU A 6 0.658 6.562 11.395 1.00 0.00 O ATOM 83 CB LEU A 6 -2.289 5.999 12.699 1.00 0.00 C ATOM 84 CG LEU A 6 -3.757 6.429 12.705 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.651 5.190 12.617 1.00 0.00 C ATOM 86 CD2 LEU A 6 -4.061 7.185 14.000 1.00 0.00 C ATOM 0 H LEU A 6 -1.837 6.998 10.362 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.511 7.976 13.211 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.124 5.244 11.930 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.030 5.543 13.654 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.949 7.078 11.851 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.697 5.495 12.621 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.434 4.650 11.695 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.459 4.541 13.472 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.107 7.492 14.005 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.869 6.536 14.854 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.424 8.067 14.065 1.00 0.00 H new ATOM 98 N ASP A 7 0.684 6.725 13.583 1.00 0.00 N ATOM 99 CA ASP A 7 2.120 6.328 13.645 1.00 0.00 C ATOM 100 C ASP A 7 2.291 4.889 13.151 1.00 0.00 C ATOM 101 O ASP A 7 1.337 4.145 13.032 1.00 0.00 O ATOM 102 CB ASP A 7 2.502 6.436 15.123 1.00 0.00 C ATOM 103 CG ASP A 7 2.512 7.907 15.543 1.00 0.00 C ATOM 104 OD1 ASP A 7 1.626 8.630 15.117 1.00 0.00 O ATOM 105 OD2 ASP A 7 3.406 8.285 16.282 1.00 0.00 O ATOM 0 H ASP A 7 0.248 6.918 14.485 1.00 0.00 H new ATOM 0 HA ASP A 7 2.749 6.958 13.016 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.793 5.877 15.734 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.484 5.993 15.289 1.00 0.00 H new ATOM 110 N CYS A 8 3.501 4.495 12.861 1.00 0.00 N ATOM 111 CA CYS A 8 3.745 3.107 12.374 1.00 0.00 C ATOM 112 C CYS A 8 5.090 2.597 12.907 1.00 0.00 C ATOM 113 O CYS A 8 6.099 2.693 12.236 1.00 0.00 O ATOM 114 CB CYS A 8 3.775 3.223 10.851 1.00 0.00 C ATOM 115 SG CYS A 8 3.966 1.578 10.121 1.00 0.00 S ATOM 0 H CYS A 8 4.335 5.077 12.941 1.00 0.00 H new ATOM 0 HA CYS A 8 2.982 2.405 12.710 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.855 3.686 10.493 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.598 3.867 10.541 1.00 0.00 H new ATOM 0 HG CYS A 8 3.989 1.678 8.825 1.00 0.00 H new ATOM 121 N PRO A 9 5.058 2.072 14.105 1.00 0.00 N ATOM 122 CA PRO A 9 6.291 1.544 14.741 1.00 0.00 C ATOM 123 C PRO A 9 6.740 0.238 14.089 1.00 0.00 C ATOM 124 O PRO A 9 7.805 -0.273 14.381 1.00 0.00 O ATOM 125 CB PRO A 9 5.875 1.290 16.182 1.00 0.00 C ATOM 126 CG PRO A 9 4.391 1.109 16.135 1.00 0.00 C ATOM 127 CD PRO A 9 3.883 1.919 14.972 1.00 0.00 C ATOM 0 HA PRO A 9 7.130 2.234 14.646 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.367 0.404 16.584 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.150 2.127 16.825 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.135 0.057 16.013 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.933 1.442 17.066 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.070 1.409 14.456 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.498 2.886 15.297 1.00 0.00 H new ATOM 135 N ALA A 10 5.940 -0.319 13.225 1.00 0.00 N ATOM 136 CA ALA A 10 6.329 -1.605 12.580 1.00 0.00 C ATOM 137 C ALA A 10 7.698 -1.482 11.905 1.00 0.00 C ATOM 138 O ALA A 10 8.399 -2.458 11.726 1.00 0.00 O ATOM 139 CB ALA A 10 5.243 -1.879 11.537 1.00 0.00 C ATOM 0 H ALA A 10 5.037 0.058 12.938 1.00 0.00 H new ATOM 0 HA ALA A 10 6.410 -2.412 13.308 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.463 -2.813 11.020 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.275 -1.957 12.032 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.217 -1.062 10.816 1.00 0.00 H new ATOM 145 N LEU A 11 8.078 -0.295 11.525 1.00 0.00 N ATOM 146 CA LEU A 11 9.398 -0.113 10.855 1.00 0.00 C ATOM 147 C LEU A 11 10.308 0.788 11.697 1.00 0.00 C ATOM 148 O LEU A 11 11.290 0.341 12.256 1.00 0.00 O ATOM 149 CB LEU A 11 9.069 0.553 9.520 1.00 0.00 C ATOM 150 CG LEU A 11 8.400 -0.467 8.591 1.00 0.00 C ATOM 151 CD1 LEU A 11 6.959 -0.034 8.307 1.00 0.00 C ATOM 152 CD2 LEU A 11 9.176 -0.545 7.273 1.00 0.00 C ATOM 0 H LEU A 11 7.533 0.558 11.649 1.00 0.00 H new ATOM 0 HA LEU A 11 9.928 -1.056 10.724 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.407 1.404 9.679 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.979 0.938 9.060 1.00 0.00 H new ATOM 0 HG LEU A 11 8.398 -1.446 9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.484 -0.760 7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.404 0.021 9.244 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.961 0.945 7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.700 -1.270 6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.179 0.434 6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.202 -0.855 7.473 1.00 0.00 H new ATOM 164 N GLY A 12 9.992 2.053 11.789 1.00 0.00 N ATOM 165 CA GLY A 12 10.844 2.977 12.593 1.00 0.00 C ATOM 166 C GLY A 12 10.161 4.344 12.712 1.00 0.00 C ATOM 167 O GLY A 12 9.016 4.498 12.338 1.00 0.00 O ATOM 0 H GLY A 12 9.183 2.485 11.343 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.015 2.558 13.585 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.821 3.088 12.122 1.00 0.00 H new ATOM 171 N PRO A 13 10.893 5.297 13.237 1.00 0.00 N ATOM 172 CA PRO A 13 10.348 6.667 13.410 1.00 0.00 C ATOM 173 C PRO A 13 10.244 7.382 12.060 1.00 0.00 C ATOM 174 O PRO A 13 11.236 7.720 11.444 1.00 0.00 O ATOM 175 CB PRO A 13 11.374 7.350 14.309 1.00 0.00 C ATOM 176 CG PRO A 13 12.650 6.605 14.079 1.00 0.00 C ATOM 177 CD PRO A 13 12.279 5.191 13.711 1.00 0.00 C ATOM 0 HA PRO A 13 9.343 6.675 13.833 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.482 8.404 14.054 1.00 0.00 H new ATOM 0 HB3 PRO A 13 11.074 7.304 15.356 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.229 7.071 13.282 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.271 6.619 14.975 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.936 4.795 12.937 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.357 4.522 14.568 1.00 0.00 H new ATOM 185 N GLY A 14 9.044 7.612 11.599 1.00 0.00 N ATOM 186 CA GLY A 14 8.856 8.304 10.292 1.00 0.00 C ATOM 187 C GLY A 14 7.683 7.661 9.551 1.00 0.00 C ATOM 188 O GLY A 14 6.897 8.328 8.908 1.00 0.00 O ATOM 0 H GLY A 14 8.181 7.349 12.075 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.664 9.365 10.452 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.764 8.231 9.694 1.00 0.00 H new ATOM 192 N TRP A 15 7.577 6.361 9.622 1.00 0.00 N ATOM 193 CA TRP A 15 6.474 5.652 8.910 1.00 0.00 C ATOM 194 C TRP A 15 5.105 6.116 9.410 1.00 0.00 C ATOM 195 O TRP A 15 4.938 6.485 10.556 1.00 0.00 O ATOM 196 CB TRP A 15 6.682 4.172 9.229 1.00 0.00 C ATOM 197 CG TRP A 15 7.812 3.639 8.410 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.099 3.563 8.818 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.780 3.108 7.054 1.00 0.00 C ATOM 200 NE1 TRP A 15 9.859 3.017 7.799 1.00 0.00 N ATOM 201 CE2 TRP A 15 9.091 2.720 6.691 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.750 2.928 6.113 1.00 0.00 C ATOM 203 CZ2 TRP A 15 9.371 2.174 5.439 1.00 0.00 C ATOM 204 CZ3 TRP A 15 7.029 2.376 4.851 1.00 0.00 C ATOM 205 CH2 TRP A 15 8.338 2.000 4.516 1.00 0.00 C ATOM 0 H TRP A 15 8.210 5.757 10.145 1.00 0.00 H new ATOM 0 HA TRP A 15 6.495 5.853 7.839 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.896 4.045 10.290 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.771 3.612 9.018 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.472 3.877 9.781 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.864 2.854 7.859 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.739 3.216 6.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.381 1.887 5.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.231 2.241 4.136 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.547 1.576 3.545 1.00 0.00 H new ATOM 216 N LYS A 16 4.122 6.087 8.550 1.00 0.00 N ATOM 217 CA LYS A 16 2.749 6.510 8.950 1.00 0.00 C ATOM 218 C LYS A 16 1.727 5.520 8.387 1.00 0.00 C ATOM 219 O LYS A 16 1.967 4.877 7.384 1.00 0.00 O ATOM 220 CB LYS A 16 2.559 7.891 8.321 1.00 0.00 C ATOM 221 CG LYS A 16 1.695 8.757 9.239 1.00 0.00 C ATOM 222 CD LYS A 16 2.563 9.340 10.357 1.00 0.00 C ATOM 223 CE LYS A 16 1.668 10.003 11.408 1.00 0.00 C ATOM 224 NZ LYS A 16 2.240 11.365 11.599 1.00 0.00 N ATOM 0 H LYS A 16 4.213 5.786 7.580 1.00 0.00 H new ATOM 0 HA LYS A 16 2.616 6.539 10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.527 8.366 8.161 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.086 7.795 7.344 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.231 9.561 8.667 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.887 8.161 9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.159 8.552 10.817 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.261 10.069 9.947 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.633 10.054 11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.671 9.439 12.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.679 11.881 12.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.223 11.286 11.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.218 11.881 10.696 1.00 0.00 H new ATOM 238 N ARG A 17 0.594 5.386 9.020 1.00 0.00 N ATOM 239 CA ARG A 17 -0.432 4.431 8.513 1.00 0.00 C ATOM 240 C ARG A 17 -1.769 5.146 8.285 1.00 0.00 C ATOM 241 O ARG A 17 -2.164 6.007 9.044 1.00 0.00 O ATOM 242 CB ARG A 17 -0.571 3.371 9.612 1.00 0.00 C ATOM 243 CG ARG A 17 -1.704 2.404 9.250 1.00 0.00 C ATOM 244 CD ARG A 17 -1.754 1.261 10.267 1.00 0.00 C ATOM 245 NE ARG A 17 -0.435 0.582 10.149 1.00 0.00 N ATOM 246 CZ ARG A 17 -0.327 -0.529 9.472 1.00 0.00 C ATOM 247 NH1 ARG A 17 -1.261 -1.439 9.557 1.00 0.00 N ATOM 248 NH2 ARG A 17 0.718 -0.735 8.720 1.00 0.00 N ATOM 0 H ARG A 17 0.334 5.895 9.865 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.143 3.994 7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.365 2.825 9.725 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.779 3.849 10.569 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.657 2.934 9.237 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.548 2.005 8.248 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.915 1.638 11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.572 0.574 10.049 1.00 0.00 H new ATOM 0 HE ARG A 17 0.387 0.986 10.598 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.074 -1.281 10.152 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.177 -2.307 9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.451 -0.028 8.661 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.803 -1.603 8.191 1.00 0.00 H new ATOM 262 N ARG A 18 -2.466 4.776 7.247 1.00 0.00 N ATOM 263 CA ARG A 18 -3.785 5.407 6.955 1.00 0.00 C ATOM 264 C ARG A 18 -4.784 4.323 6.543 1.00 0.00 C ATOM 265 O ARG A 18 -4.456 3.427 5.792 1.00 0.00 O ATOM 266 CB ARG A 18 -3.521 6.368 5.795 1.00 0.00 C ATOM 267 CG ARG A 18 -4.822 7.075 5.405 1.00 0.00 C ATOM 268 CD ARG A 18 -4.522 8.521 5.002 1.00 0.00 C ATOM 269 NE ARG A 18 -3.716 8.413 3.753 1.00 0.00 N ATOM 270 CZ ARG A 18 -4.068 9.083 2.690 1.00 0.00 C ATOM 271 NH1 ARG A 18 -4.483 10.315 2.802 1.00 0.00 N ATOM 272 NH2 ARG A 18 -4.003 8.521 1.514 1.00 0.00 N ATOM 0 H ARG A 18 -2.177 4.058 6.583 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.204 5.928 7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.769 7.102 6.082 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.123 5.821 4.940 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.300 6.549 4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.521 7.058 6.241 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.441 9.082 4.832 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.970 9.043 5.784 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.890 7.816 3.729 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.532 10.755 3.721 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.758 10.838 1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.677 7.558 1.426 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.278 9.044 0.683 1.00 0.00 H new ATOM 286 N GLU A 19 -5.992 4.387 7.032 1.00 0.00 N ATOM 287 CA GLU A 19 -6.997 3.347 6.664 1.00 0.00 C ATOM 288 C GLU A 19 -7.921 3.870 5.563 1.00 0.00 C ATOM 289 O GLU A 19 -8.415 4.978 5.625 1.00 0.00 O ATOM 290 CB GLU A 19 -7.784 3.078 7.951 1.00 0.00 C ATOM 291 CG GLU A 19 -7.564 1.627 8.389 1.00 0.00 C ATOM 292 CD GLU A 19 -8.362 1.352 9.664 1.00 0.00 C ATOM 293 OE1 GLU A 19 -9.559 1.594 9.655 1.00 0.00 O ATOM 294 OE2 GLU A 19 -7.765 0.904 10.628 1.00 0.00 O ATOM 0 H GLU A 19 -6.327 5.111 7.668 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.530 2.440 6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.460 3.760 8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.846 3.263 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.877 0.946 7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.504 1.446 8.565 1.00 0.00 H new ATOM 301 N VAL A 20 -8.151 3.078 4.550 1.00 0.00 N ATOM 302 CA VAL A 20 -9.037 3.525 3.435 1.00 0.00 C ATOM 303 C VAL A 20 -10.259 2.608 3.330 1.00 0.00 C ATOM 304 O VAL A 20 -10.175 1.509 2.820 1.00 0.00 O ATOM 305 CB VAL A 20 -8.185 3.417 2.168 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.895 4.131 1.016 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.821 4.069 2.407 1.00 0.00 C ATOM 0 H VAL A 20 -7.764 2.140 4.446 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.406 4.539 3.591 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.044 2.366 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.290 4.055 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.865 3.666 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.036 5.181 1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.217 3.990 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.960 5.120 2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.314 3.562 3.228 1.00 0.00 H new ATOM 317 N PHE A 21 -11.392 3.054 3.802 1.00 0.00 N ATOM 318 CA PHE A 21 -12.620 2.208 3.722 1.00 0.00 C ATOM 319 C PHE A 21 -13.303 2.406 2.364 1.00 0.00 C ATOM 320 O PHE A 21 -14.497 2.621 2.286 1.00 0.00 O ATOM 321 CB PHE A 21 -13.520 2.709 4.857 1.00 0.00 C ATOM 322 CG PHE A 21 -13.811 1.577 5.815 1.00 0.00 C ATOM 323 CD1 PHE A 21 -14.410 0.402 5.347 1.00 0.00 C ATOM 324 CD2 PHE A 21 -13.481 1.704 7.170 1.00 0.00 C ATOM 325 CE1 PHE A 21 -14.680 -0.647 6.234 1.00 0.00 C ATOM 326 CE2 PHE A 21 -13.752 0.655 8.057 1.00 0.00 C ATOM 327 CZ PHE A 21 -14.352 -0.520 7.589 1.00 0.00 C ATOM 0 H PHE A 21 -11.521 3.966 4.239 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.401 1.144 3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -13.033 3.529 5.385 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.452 3.101 4.449 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -14.664 0.304 4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.018 2.611 7.531 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.141 -1.554 5.873 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.498 0.752 9.102 1.00 0.00 H new ATOM 0 HZ PHE A 21 -14.562 -1.329 8.273 1.00 0.00 H new ATOM 337 N ARG A 22 -12.550 2.321 1.293 1.00 0.00 N ATOM 338 CA ARG A 22 -13.133 2.494 -0.071 1.00 0.00 C ATOM 339 C ARG A 22 -14.014 3.749 -0.149 1.00 0.00 C ATOM 340 O ARG A 22 -14.240 4.430 0.832 1.00 0.00 O ATOM 341 CB ARG A 22 -13.978 1.249 -0.283 1.00 0.00 C ATOM 342 CG ARG A 22 -13.189 0.232 -1.106 1.00 0.00 C ATOM 343 CD ARG A 22 -13.015 0.748 -2.538 1.00 0.00 C ATOM 344 NE ARG A 22 -11.572 0.545 -2.860 1.00 0.00 N ATOM 345 CZ ARG A 22 -11.017 -0.643 -2.775 1.00 0.00 C ATOM 346 NH1 ARG A 22 -11.749 -1.713 -2.607 1.00 0.00 N ATOM 347 NH2 ARG A 22 -9.722 -0.761 -2.869 1.00 0.00 N ATOM 0 H ARG A 22 -11.547 2.137 1.308 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.359 2.617 -0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.256 0.817 0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.904 1.508 -0.796 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.214 0.060 -0.651 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.710 -0.725 -1.115 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.653 0.202 -3.233 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.290 1.800 -2.613 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.007 1.342 -3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.764 -1.632 -2.540 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.306 -2.629 -2.543 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.143 0.067 -3.008 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.288 -1.682 -2.803 1.00 0.00 H new ATOM 361 N LYS A 23 -14.515 4.052 -1.315 1.00 0.00 N ATOM 362 CA LYS A 23 -15.389 5.248 -1.465 1.00 0.00 C ATOM 363 C LYS A 23 -16.564 4.931 -2.396 1.00 0.00 C ATOM 364 O LYS A 23 -17.671 5.381 -2.175 1.00 0.00 O ATOM 365 CB LYS A 23 -14.492 6.328 -2.073 1.00 0.00 C ATOM 366 CG LYS A 23 -15.017 7.716 -1.690 1.00 0.00 C ATOM 367 CD LYS A 23 -14.977 7.899 -0.165 1.00 0.00 C ATOM 368 CE LYS A 23 -13.601 7.493 0.378 1.00 0.00 C ATOM 369 NZ LYS A 23 -13.642 7.840 1.826 1.00 0.00 N ATOM 0 H LYS A 23 -14.356 3.521 -2.172 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.816 5.568 -0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.469 6.206 -1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.468 6.225 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.414 8.486 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.038 7.839 -2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.185 8.938 0.090 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.754 7.294 0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.417 6.429 0.232 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.801 8.028 -0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.734 7.591 2.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.812 8.860 1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.409 7.311 2.288 1.00 0.00 H new ATOM 383 N SER A 24 -16.335 4.156 -3.434 1.00 0.00 N ATOM 384 CA SER A 24 -17.451 3.808 -4.380 1.00 0.00 C ATOM 385 C SER A 24 -16.908 3.112 -5.633 1.00 0.00 C ATOM 386 O SER A 24 -15.742 2.783 -5.721 1.00 0.00 O ATOM 387 CB SER A 24 -18.097 5.141 -4.769 1.00 0.00 C ATOM 388 OG SER A 24 -19.298 5.317 -4.027 1.00 0.00 O ATOM 0 H SER A 24 -15.428 3.751 -3.667 1.00 0.00 H new ATOM 0 HA SER A 24 -18.162 3.126 -3.914 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.409 5.963 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 24 -18.311 5.156 -5.838 1.00 0.00 H new ATOM 0 HG SER A 24 -19.108 5.223 -3.070 1.00 0.00 H new ATOM 394 N GLY A 25 -17.758 2.895 -6.606 1.00 0.00 N ATOM 395 CA GLY A 25 -17.314 2.230 -7.865 1.00 0.00 C ATOM 396 C GLY A 25 -17.792 0.777 -7.876 1.00 0.00 C ATOM 397 O GLY A 25 -18.903 0.476 -8.267 1.00 0.00 O ATOM 0 H GLY A 25 -18.745 3.152 -6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.714 2.761 -8.729 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.227 2.266 -7.943 1.00 0.00 H new ATOM 401 N ALA A 26 -16.954 -0.119 -7.444 1.00 0.00 N ATOM 402 CA ALA A 26 -17.327 -1.564 -7.412 1.00 0.00 C ATOM 403 C ALA A 26 -16.626 -2.230 -6.229 1.00 0.00 C ATOM 404 O ALA A 26 -17.212 -2.981 -5.474 1.00 0.00 O ATOM 405 CB ALA A 26 -16.811 -2.133 -8.734 1.00 0.00 C ATOM 0 H ALA A 26 -16.014 0.087 -7.107 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.399 -1.728 -7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.046 -3.196 -8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.287 -1.612 -9.565 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.731 -1.997 -8.792 1.00 0.00 H new ATOM 411 N THR A 27 -15.371 -1.926 -6.060 1.00 0.00 N ATOM 412 CA THR A 27 -14.587 -2.486 -4.927 1.00 0.00 C ATOM 413 C THR A 27 -14.983 -1.783 -3.625 1.00 0.00 C ATOM 414 O THR A 27 -14.514 -2.126 -2.559 1.00 0.00 O ATOM 415 CB THR A 27 -13.132 -2.168 -5.291 1.00 0.00 C ATOM 416 OG1 THR A 27 -12.995 -0.768 -5.480 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.754 -2.894 -6.584 1.00 0.00 C ATOM 0 H THR A 27 -14.846 -1.301 -6.672 1.00 0.00 H new ATOM 0 HA THR A 27 -14.754 -3.552 -4.774 1.00 0.00 H new ATOM 0 HB THR A 27 -12.475 -2.499 -4.487 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.066 -0.558 -5.711 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.719 -2.666 -6.840 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.865 -3.969 -6.443 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.409 -2.565 -7.391 1.00 0.00 H new ATOM 425 N CYS A 28 -15.839 -0.792 -3.711 1.00 0.00 N ATOM 426 CA CYS A 28 -16.266 -0.048 -2.492 1.00 0.00 C ATOM 427 C CYS A 28 -16.654 -1.009 -1.364 1.00 0.00 C ATOM 428 O CYS A 28 -17.110 -2.112 -1.602 1.00 0.00 O ATOM 429 CB CYS A 28 -17.479 0.773 -2.933 1.00 0.00 C ATOM 430 SG CYS A 28 -18.001 1.856 -1.579 1.00 0.00 S ATOM 0 H CYS A 28 -16.261 -0.468 -4.581 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.462 0.576 -2.101 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.229 1.367 -3.812 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -18.296 0.110 -3.218 1.00 0.00 H new ATOM 0 HG CYS A 28 -18.962 2.630 -1.988 1.00 0.00 H new ATOM 436 N GLY A 29 -16.482 -0.594 -0.137 1.00 0.00 N ATOM 437 CA GLY A 29 -16.845 -1.475 1.011 1.00 0.00 C ATOM 438 C GLY A 29 -15.589 -2.121 1.603 1.00 0.00 C ATOM 439 O GLY A 29 -15.594 -2.577 2.729 1.00 0.00 O ATOM 0 H GLY A 29 -16.105 0.318 0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.358 -0.893 1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.538 -2.248 0.680 1.00 0.00 H new ATOM 443 N ARG A 30 -14.514 -2.172 0.859 1.00 0.00 N ATOM 444 CA ARG A 30 -13.268 -2.799 1.393 1.00 0.00 C ATOM 445 C ARG A 30 -12.477 -1.790 2.231 1.00 0.00 C ATOM 446 O ARG A 30 -12.660 -0.593 2.118 1.00 0.00 O ATOM 447 CB ARG A 30 -12.472 -3.210 0.156 1.00 0.00 C ATOM 448 CG ARG A 30 -13.231 -4.302 -0.598 1.00 0.00 C ATOM 449 CD ARG A 30 -12.250 -5.118 -1.442 1.00 0.00 C ATOM 450 NE ARG A 30 -13.093 -6.134 -2.128 1.00 0.00 N ATOM 451 CZ ARG A 30 -13.087 -7.372 -1.716 1.00 0.00 C ATOM 452 NH1 ARG A 30 -11.955 -8.002 -1.560 1.00 0.00 N ATOM 453 NH2 ARG A 30 -14.214 -7.978 -1.457 1.00 0.00 N ATOM 0 H ARG A 30 -14.445 -1.808 -0.091 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.481 -3.647 2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.315 -2.348 -0.492 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.487 -3.573 0.448 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.749 -4.952 0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.992 -3.855 -1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.727 -4.487 -2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.490 -5.590 -0.819 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.675 -5.863 -2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.075 -7.527 -1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.950 -8.970 -1.238 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.098 -7.484 -1.577 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.210 -8.946 -1.135 1.00 0.00 H new ATOM 467 N SER A 31 -11.597 -2.269 3.071 1.00 0.00 N ATOM 468 CA SER A 31 -10.788 -1.346 3.920 1.00 0.00 C ATOM 469 C SER A 31 -9.294 -1.584 3.685 1.00 0.00 C ATOM 470 O SER A 31 -8.694 -2.459 4.278 1.00 0.00 O ATOM 471 CB SER A 31 -11.168 -1.697 5.357 1.00 0.00 C ATOM 472 OG SER A 31 -10.998 -3.093 5.562 1.00 0.00 O ATOM 0 H SER A 31 -11.404 -3.261 3.206 1.00 0.00 H new ATOM 0 HA SER A 31 -10.981 -0.298 3.692 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.547 -1.137 6.056 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.202 -1.413 5.551 1.00 0.00 H new ATOM 0 HG SER A 31 -10.124 -3.370 5.217 1.00 0.00 H new ATOM 478 N ASP A 32 -8.691 -0.810 2.822 1.00 0.00 N ATOM 479 CA ASP A 32 -7.235 -0.985 2.544 1.00 0.00 C ATOM 480 C ASP A 32 -6.423 0.054 3.318 1.00 0.00 C ATOM 481 O ASP A 32 -6.705 1.233 3.269 1.00 0.00 O ATOM 482 CB ASP A 32 -7.092 -0.768 1.037 1.00 0.00 C ATOM 483 CG ASP A 32 -7.518 -2.036 0.295 1.00 0.00 C ATOM 484 OD1 ASP A 32 -6.979 -3.087 0.602 1.00 0.00 O ATOM 485 OD2 ASP A 32 -8.374 -1.936 -0.568 1.00 0.00 O ATOM 0 H ASP A 32 -9.145 -0.063 2.297 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.869 -1.965 2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.706 0.075 0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.060 -0.520 0.791 1.00 0.00 H new ATOM 490 N THR A 33 -5.417 -0.375 4.032 1.00 0.00 N ATOM 491 CA THR A 33 -4.595 0.593 4.810 1.00 0.00 C ATOM 492 C THR A 33 -3.312 0.932 4.046 1.00 0.00 C ATOM 493 O THR A 33 -2.583 0.058 3.619 1.00 0.00 O ATOM 494 CB THR A 33 -4.271 -0.125 6.120 1.00 0.00 C ATOM 495 OG1 THR A 33 -5.463 -0.682 6.658 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.677 0.871 7.117 1.00 0.00 C ATOM 0 H THR A 33 -5.130 -1.351 4.109 1.00 0.00 H new ATOM 0 HA THR A 33 -5.117 1.534 4.982 1.00 0.00 H new ATOM 0 HB THR A 33 -3.549 -0.920 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.258 -1.145 7.497 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.446 0.358 8.051 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.764 1.299 6.703 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.397 1.667 7.309 1.00 0.00 H new ATOM 504 N TYR A 34 -3.034 2.195 3.875 1.00 0.00 N ATOM 505 CA TYR A 34 -1.801 2.605 3.144 1.00 0.00 C ATOM 506 C TYR A 34 -0.790 3.193 4.131 1.00 0.00 C ATOM 507 O TYR A 34 -1.157 3.687 5.179 1.00 0.00 O ATOM 508 CB TYR A 34 -2.272 3.663 2.148 1.00 0.00 C ATOM 509 CG TYR A 34 -3.100 2.997 1.077 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.377 2.505 1.378 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.586 2.864 -0.216 1.00 0.00 C ATOM 512 CE1 TYR A 34 -5.137 1.882 0.383 1.00 0.00 C ATOM 513 CE2 TYR A 34 -3.347 2.239 -1.211 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.622 1.749 -0.912 1.00 0.00 C ATOM 515 OH TYR A 34 -5.373 1.133 -1.893 1.00 0.00 O ATOM 0 H TYR A 34 -3.611 2.965 4.212 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.308 1.772 2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.860 4.425 2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.415 4.168 1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.774 2.607 2.377 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.602 3.243 -0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.122 1.503 0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.949 2.135 -2.210 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.869 1.124 -2.734 1.00 0.00 H new ATOM 525 N TYR A 35 0.478 3.134 3.821 1.00 0.00 N ATOM 526 CA TYR A 35 1.496 3.684 4.769 1.00 0.00 C ATOM 527 C TYR A 35 2.606 4.416 4.011 1.00 0.00 C ATOM 528 O TYR A 35 2.954 4.061 2.903 1.00 0.00 O ATOM 529 CB TYR A 35 2.079 2.470 5.510 1.00 0.00 C ATOM 530 CG TYR A 35 1.111 1.309 5.456 1.00 0.00 C ATOM 531 CD1 TYR A 35 1.122 0.443 4.357 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.200 1.107 6.498 1.00 0.00 C ATOM 533 CE1 TYR A 35 0.224 -0.628 4.301 1.00 0.00 C ATOM 534 CE2 TYR A 35 -0.701 0.037 6.441 1.00 0.00 C ATOM 535 CZ TYR A 35 -0.689 -0.831 5.343 1.00 0.00 C ATOM 536 OH TYR A 35 -1.578 -1.883 5.285 1.00 0.00 O ATOM 0 H TYR A 35 0.852 2.733 2.961 1.00 0.00 H new ATOM 0 HA TYR A 35 1.047 4.403 5.454 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.029 2.182 5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.285 2.733 6.548 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.824 0.602 3.552 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.192 1.776 7.346 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.235 -1.298 3.454 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.406 -0.119 7.245 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.483 -2.345 4.426 1.00 0.00 H new ATOM 546 N GLN A 36 3.170 5.429 4.612 1.00 0.00 N ATOM 547 CA GLN A 36 4.269 6.181 3.938 1.00 0.00 C ATOM 548 C GLN A 36 5.605 5.850 4.603 1.00 0.00 C ATOM 549 O GLN A 36 5.664 5.536 5.777 1.00 0.00 O ATOM 550 CB GLN A 36 3.926 7.659 4.130 1.00 0.00 C ATOM 551 CG GLN A 36 4.914 8.524 3.340 1.00 0.00 C ATOM 552 CD GLN A 36 4.285 9.889 3.060 1.00 0.00 C ATOM 553 OE1 GLN A 36 3.193 9.972 2.531 1.00 0.00 O ATOM 554 NE2 GLN A 36 4.930 10.973 3.394 1.00 0.00 N ATOM 0 H GLN A 36 2.918 5.769 5.540 1.00 0.00 H new ATOM 0 HA GLN A 36 4.359 5.924 2.882 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.908 7.853 3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.966 7.917 5.188 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.839 8.646 3.904 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.175 8.033 2.403 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.846 10.905 3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.518 11.888 3.211 1.00 0.00 H new ATOM 563 N SER A 37 6.678 5.921 3.862 1.00 0.00 N ATOM 564 CA SER A 37 8.019 5.613 4.444 1.00 0.00 C ATOM 565 C SER A 37 8.292 6.515 5.652 1.00 0.00 C ATOM 566 O SER A 37 7.423 7.253 6.075 1.00 0.00 O ATOM 567 CB SER A 37 9.000 5.892 3.312 1.00 0.00 C ATOM 568 OG SER A 37 9.322 7.276 3.290 1.00 0.00 O ATOM 0 H SER A 37 6.685 6.180 2.875 1.00 0.00 H new ATOM 0 HA SER A 37 8.098 4.587 4.805 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.905 5.300 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.564 5.595 2.358 1.00 0.00 H new ATOM 0 HG SER A 37 10.289 7.385 3.175 1.00 0.00 H new ATOM 574 N PRO A 38 9.484 6.423 6.187 1.00 0.00 N ATOM 575 CA PRO A 38 9.833 7.236 7.361 1.00 0.00 C ATOM 576 C PRO A 38 10.284 8.641 6.962 1.00 0.00 C ATOM 577 O PRO A 38 10.407 9.509 7.805 1.00 0.00 O ATOM 578 CB PRO A 38 10.972 6.461 8.009 1.00 0.00 C ATOM 579 CG PRO A 38 11.592 5.658 6.909 1.00 0.00 C ATOM 580 CD PRO A 38 10.603 5.574 5.766 1.00 0.00 C ATOM 0 HA PRO A 38 8.985 7.387 8.029 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.700 7.137 8.458 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.603 5.815 8.805 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.519 6.124 6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.847 4.660 7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.042 5.929 4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.280 4.547 5.595 1.00 0.00 H new ATOM 588 N THR A 39 10.543 8.891 5.702 1.00 0.00 N ATOM 589 CA THR A 39 10.990 10.265 5.328 1.00 0.00 C ATOM 590 C THR A 39 10.965 10.502 3.810 1.00 0.00 C ATOM 591 O THR A 39 11.832 11.163 3.273 1.00 0.00 O ATOM 592 CB THR A 39 12.417 10.361 5.872 1.00 0.00 C ATOM 593 OG1 THR A 39 12.920 11.671 5.652 1.00 0.00 O ATOM 594 CG2 THR A 39 13.312 9.340 5.167 1.00 0.00 C ATOM 0 H THR A 39 10.467 8.222 4.936 1.00 0.00 H new ATOM 0 HA THR A 39 10.325 11.024 5.740 1.00 0.00 H new ATOM 0 HB THR A 39 12.410 10.149 6.941 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.799 11.914 4.710 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.326 9.414 5.559 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.927 8.336 5.343 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.321 9.542 4.096 1.00 0.00 H new ATOM 602 N GLY A 40 9.968 10.011 3.118 1.00 0.00 N ATOM 603 CA GLY A 40 9.899 10.268 1.647 1.00 0.00 C ATOM 604 C GLY A 40 9.832 8.965 0.847 1.00 0.00 C ATOM 605 O GLY A 40 10.833 8.460 0.378 1.00 0.00 O ATOM 0 H GLY A 40 9.207 9.450 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.023 10.877 1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.773 10.841 1.336 1.00 0.00 H new ATOM 609 N ASP A 41 8.646 8.443 0.665 1.00 0.00 N ATOM 610 CA ASP A 41 8.448 7.184 -0.131 1.00 0.00 C ATOM 611 C ASP A 41 7.047 6.634 0.157 1.00 0.00 C ATOM 612 O ASP A 41 6.748 6.220 1.260 1.00 0.00 O ATOM 613 CB ASP A 41 9.527 6.191 0.323 1.00 0.00 C ATOM 614 CG ASP A 41 10.564 6.019 -0.789 1.00 0.00 C ATOM 615 OD1 ASP A 41 10.162 5.751 -1.911 1.00 0.00 O ATOM 616 OD2 ASP A 41 11.741 6.157 -0.501 1.00 0.00 O ATOM 0 H ASP A 41 7.786 8.842 1.041 1.00 0.00 H new ATOM 0 HA ASP A 41 8.532 7.362 -1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.009 6.552 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.073 5.230 0.563 1.00 0.00 H new ATOM 621 N ARG A 42 6.182 6.649 -0.819 1.00 0.00 N ATOM 622 CA ARG A 42 4.791 6.151 -0.598 1.00 0.00 C ATOM 623 C ARG A 42 4.738 4.621 -0.655 1.00 0.00 C ATOM 624 O ARG A 42 5.048 4.015 -1.663 1.00 0.00 O ATOM 625 CB ARG A 42 3.967 6.759 -1.738 1.00 0.00 C ATOM 626 CG ARG A 42 2.859 7.644 -1.160 1.00 0.00 C ATOM 627 CD ARG A 42 3.480 8.867 -0.479 1.00 0.00 C ATOM 628 NE ARG A 42 2.686 10.028 -0.970 1.00 0.00 N ATOM 629 CZ ARG A 42 3.236 11.208 -1.055 1.00 0.00 C ATOM 630 NH1 ARG A 42 3.645 11.817 0.025 1.00 0.00 N ATOM 631 NH2 ARG A 42 3.376 11.781 -2.219 1.00 0.00 N ATOM 0 H ARG A 42 6.377 6.985 -1.762 1.00 0.00 H new ATOM 0 HA ARG A 42 4.412 6.435 0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.611 7.347 -2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.532 5.967 -2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.182 7.962 -1.953 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.265 7.078 -0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.427 8.784 0.606 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.533 8.971 -0.739 1.00 0.00 H new ATOM 0 HE ARG A 42 1.711 9.900 -1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.535 11.370 0.935 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.075 12.740 -0.042 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.055 11.306 -3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.806 12.704 -2.285 1.00 0.00 H new ATOM 645 N ILE A 43 4.326 3.997 0.418 1.00 0.00 N ATOM 646 CA ILE A 43 4.227 2.508 0.436 1.00 0.00 C ATOM 647 C ILE A 43 2.747 2.108 0.488 1.00 0.00 C ATOM 648 O ILE A 43 1.934 2.786 1.083 1.00 0.00 O ATOM 649 CB ILE A 43 4.976 2.076 1.711 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.463 1.867 1.396 1.00 0.00 C ATOM 651 CG2 ILE A 43 4.399 0.761 2.247 1.00 0.00 C ATOM 652 CD1 ILE A 43 6.988 3.022 0.542 1.00 0.00 C ATOM 0 H ILE A 43 4.053 4.457 1.286 1.00 0.00 H new ATOM 0 HA ILE A 43 4.655 2.034 -0.447 1.00 0.00 H new ATOM 0 HB ILE A 43 4.859 2.859 2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.033 1.802 2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.602 0.923 0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.938 0.468 3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.344 0.896 2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.505 -0.017 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.044 2.863 0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.428 3.068 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.866 3.960 1.084 1.00 0.00 H new ATOM 664 N ARG A 44 2.390 1.021 -0.138 1.00 0.00 N ATOM 665 CA ARG A 44 0.960 0.596 -0.123 1.00 0.00 C ATOM 666 C ARG A 44 0.822 -0.851 0.361 1.00 0.00 C ATOM 667 O ARG A 44 -0.272 -1.368 0.476 1.00 0.00 O ATOM 668 CB ARG A 44 0.493 0.719 -1.574 1.00 0.00 C ATOM 669 CG ARG A 44 0.717 2.146 -2.068 1.00 0.00 C ATOM 670 CD ARG A 44 -0.283 2.460 -3.183 1.00 0.00 C ATOM 671 NE ARG A 44 -0.587 3.905 -3.017 1.00 0.00 N ATOM 672 CZ ARG A 44 -0.996 4.608 -4.038 1.00 0.00 C ATOM 673 NH1 ARG A 44 -1.914 4.131 -4.834 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.487 5.788 -4.264 1.00 0.00 N ATOM 0 H ARG A 44 3.022 0.411 -0.657 1.00 0.00 H new ATOM 0 HA ARG A 44 0.366 1.207 0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.040 0.016 -2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.563 0.459 -1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.595 2.851 -1.246 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.737 2.259 -2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.141 2.254 -4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.183 1.852 -3.091 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.476 4.348 -2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.312 3.208 -4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.233 4.681 -5.632 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.231 6.161 -3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.807 6.337 -5.062 1.00 0.00 H new ATOM 688 N SER A 45 1.914 -1.514 0.644 1.00 0.00 N ATOM 689 CA SER A 45 1.815 -2.927 1.117 1.00 0.00 C ATOM 690 C SER A 45 3.129 -3.369 1.772 1.00 0.00 C ATOM 691 O SER A 45 3.945 -2.551 2.150 1.00 0.00 O ATOM 692 CB SER A 45 1.531 -3.739 -0.146 1.00 0.00 C ATOM 693 OG SER A 45 0.147 -4.062 -0.194 1.00 0.00 O ATOM 0 H SER A 45 2.861 -1.143 0.569 1.00 0.00 H new ATOM 0 HA SER A 45 1.039 -3.060 1.871 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.814 -3.169 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.129 -4.650 -0.149 1.00 0.00 H new ATOM 0 HG SER A 45 -0.383 -3.264 0.015 1.00 0.00 H new ATOM 699 N LYS A 46 3.338 -4.654 1.915 1.00 0.00 N ATOM 700 CA LYS A 46 4.598 -5.134 2.552 1.00 0.00 C ATOM 701 C LYS A 46 5.748 -5.060 1.551 1.00 0.00 C ATOM 702 O LYS A 46 6.813 -4.560 1.858 1.00 0.00 O ATOM 703 CB LYS A 46 4.330 -6.582 2.958 1.00 0.00 C ATOM 704 CG LYS A 46 5.286 -6.972 4.086 1.00 0.00 C ATOM 705 CD LYS A 46 4.951 -8.381 4.577 1.00 0.00 C ATOM 706 CE LYS A 46 5.871 -9.389 3.888 1.00 0.00 C ATOM 707 NZ LYS A 46 5.180 -10.701 4.031 1.00 0.00 N ATOM 0 H LYS A 46 2.693 -5.387 1.619 1.00 0.00 H new ATOM 0 HA LYS A 46 4.879 -4.526 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.297 -6.695 3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.468 -7.244 2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.316 -6.934 3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.205 -6.261 4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.073 -8.440 5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.909 -8.616 4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.021 -9.134 2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.856 -9.408 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.751 -11.445 3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.057 -10.921 5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.248 -10.655 3.571 1.00 0.00 H new ATOM 721 N VAL A 47 5.543 -5.541 0.349 1.00 0.00 N ATOM 722 CA VAL A 47 6.630 -5.473 -0.669 1.00 0.00 C ATOM 723 C VAL A 47 7.121 -4.027 -0.770 1.00 0.00 C ATOM 724 O VAL A 47 8.302 -3.759 -0.673 1.00 0.00 O ATOM 725 CB VAL A 47 5.977 -5.936 -1.971 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.788 -5.447 -3.173 1.00 0.00 C ATOM 727 CG2 VAL A 47 5.912 -7.464 -1.991 1.00 0.00 C ATOM 0 H VAL A 47 4.675 -5.974 0.033 1.00 0.00 H new ATOM 0 HA VAL A 47 7.495 -6.090 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 47 4.971 -5.522 -2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.312 -5.784 -4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.831 -4.358 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.799 -5.851 -3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.447 -7.796 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.921 -7.872 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.322 -7.814 -1.144 1.00 0.00 H new ATOM 737 N GLU A 48 6.215 -3.091 -0.927 1.00 0.00 N ATOM 738 CA GLU A 48 6.627 -1.657 -0.992 1.00 0.00 C ATOM 739 C GLU A 48 7.489 -1.351 0.233 1.00 0.00 C ATOM 740 O GLU A 48 8.465 -0.625 0.170 1.00 0.00 O ATOM 741 CB GLU A 48 5.320 -0.856 -0.951 1.00 0.00 C ATOM 742 CG GLU A 48 5.224 0.035 -2.194 1.00 0.00 C ATOM 743 CD GLU A 48 6.297 1.127 -2.134 1.00 0.00 C ATOM 744 OE1 GLU A 48 7.251 0.959 -1.390 1.00 0.00 O ATOM 745 OE2 GLU A 48 6.146 2.115 -2.834 1.00 0.00 O ATOM 0 H GLU A 48 5.213 -3.259 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 48 7.205 -1.414 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.467 -1.534 -0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.284 -0.245 -0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.354 -0.566 -3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.234 0.488 -2.253 1.00 0.00 H new ATOM 752 N LEU A 49 7.141 -1.945 1.343 1.00 0.00 N ATOM 753 CA LEU A 49 7.934 -1.751 2.585 1.00 0.00 C ATOM 754 C LEU A 49 9.301 -2.402 2.392 1.00 0.00 C ATOM 755 O LEU A 49 10.326 -1.859 2.756 1.00 0.00 O ATOM 756 CB LEU A 49 7.140 -2.484 3.669 1.00 0.00 C ATOM 757 CG LEU A 49 7.264 -1.744 5.000 1.00 0.00 C ATOM 758 CD1 LEU A 49 6.380 -0.498 4.970 1.00 0.00 C ATOM 759 CD2 LEU A 49 6.811 -2.665 6.139 1.00 0.00 C ATOM 0 H LEU A 49 6.334 -2.561 1.440 1.00 0.00 H new ATOM 0 HA LEU A 49 8.092 -0.704 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.092 -2.554 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.510 -3.504 3.775 1.00 0.00 H new ATOM 0 HG LEU A 49 8.302 -1.451 5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.466 0.032 5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.700 0.156 4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.342 -0.792 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.899 -2.139 7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.773 -2.956 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.439 -3.556 6.158 1.00 0.00 H new ATOM 771 N THR A 50 9.311 -3.564 1.800 1.00 0.00 N ATOM 772 CA THR A 50 10.593 -4.275 1.548 1.00 0.00 C ATOM 773 C THR A 50 11.452 -3.466 0.570 1.00 0.00 C ATOM 774 O THR A 50 12.656 -3.618 0.515 1.00 0.00 O ATOM 775 CB THR A 50 10.178 -5.615 0.931 1.00 0.00 C ATOM 776 OG1 THR A 50 9.376 -6.332 1.860 1.00 0.00 O ATOM 777 CG2 THR A 50 11.422 -6.437 0.590 1.00 0.00 C ATOM 0 H THR A 50 8.477 -4.055 1.477 1.00 0.00 H new ATOM 0 HA THR A 50 11.187 -4.411 2.452 1.00 0.00 H new ATOM 0 HB THR A 50 9.609 -5.432 0.019 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.467 -5.965 1.859 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.121 -7.388 0.152 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.037 -5.888 -0.123 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.996 -6.621 1.498 1.00 0.00 H new ATOM 785 N ARG A 51 10.839 -2.603 -0.199 1.00 0.00 N ATOM 786 CA ARG A 51 11.619 -1.780 -1.170 1.00 0.00 C ATOM 787 C ARG A 51 12.436 -0.723 -0.425 1.00 0.00 C ATOM 788 O ARG A 51 13.644 -0.660 -0.548 1.00 0.00 O ATOM 789 CB ARG A 51 10.574 -1.109 -2.064 1.00 0.00 C ATOM 790 CG ARG A 51 9.699 -2.176 -2.723 1.00 0.00 C ATOM 791 CD ARG A 51 9.318 -1.729 -4.137 1.00 0.00 C ATOM 792 NE ARG A 51 9.664 -2.881 -5.014 1.00 0.00 N ATOM 793 CZ ARG A 51 10.590 -2.754 -5.924 1.00 0.00 C ATOM 794 NH1 ARG A 51 11.712 -2.155 -5.634 1.00 0.00 N ATOM 795 NH2 ARG A 51 10.392 -3.223 -7.126 1.00 0.00 N ATOM 0 H ARG A 51 9.833 -2.433 -0.196 1.00 0.00 H new ATOM 0 HA ARG A 51 12.320 -2.383 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.957 -0.432 -1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.067 -0.507 -2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.234 -3.125 -2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.800 -2.341 -2.129 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.257 -1.489 -4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.866 -0.833 -4.428 1.00 0.00 H new ATOM 0 HE ARG A 51 9.177 -3.770 -4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.865 -1.786 -4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.436 -2.056 -6.346 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.513 -3.689 -7.353 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.116 -3.124 -7.838 1.00 0.00 H new ATOM 809 N TYR A 52 11.787 0.108 0.348 1.00 0.00 N ATOM 810 CA TYR A 52 12.530 1.163 1.104 1.00 0.00 C ATOM 811 C TYR A 52 13.579 0.516 2.014 1.00 0.00 C ATOM 812 O TYR A 52 14.639 1.066 2.241 1.00 0.00 O ATOM 813 CB TYR A 52 11.470 1.888 1.937 1.00 0.00 C ATOM 814 CG TYR A 52 12.087 3.098 2.603 1.00 0.00 C ATOM 815 CD1 TYR A 52 12.994 2.931 3.657 1.00 0.00 C ATOM 816 CD2 TYR A 52 11.752 4.387 2.167 1.00 0.00 C ATOM 817 CE1 TYR A 52 13.565 4.051 4.274 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.324 5.506 2.784 1.00 0.00 C ATOM 819 CZ TYR A 52 13.230 5.338 3.837 1.00 0.00 C ATOM 820 OH TYR A 52 13.794 6.441 4.444 1.00 0.00 O ATOM 0 H TYR A 52 10.777 0.103 0.489 1.00 0.00 H new ATOM 0 HA TYR A 52 13.059 1.848 0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.640 2.195 1.300 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.062 1.214 2.690 1.00 0.00 H new ATOM 0 HD1 TYR A 52 13.253 1.938 3.994 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.052 4.517 1.355 1.00 0.00 H new ATOM 0 HE1 TYR A 52 14.264 3.922 5.087 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.066 6.499 2.447 1.00 0.00 H new ATOM 0 HH TYR A 52 14.159 7.040 3.760 1.00 0.00 H new ATOM 830 N LEU A 53 13.290 -0.646 2.533 1.00 0.00 N ATOM 831 CA LEU A 53 14.269 -1.333 3.428 1.00 0.00 C ATOM 832 C LEU A 53 15.345 -2.044 2.601 1.00 0.00 C ATOM 833 O LEU A 53 16.382 -2.420 3.112 1.00 0.00 O ATOM 834 CB LEU A 53 13.442 -2.348 4.218 1.00 0.00 C ATOM 835 CG LEU A 53 12.388 -1.614 5.050 1.00 0.00 C ATOM 836 CD1 LEU A 53 11.210 -2.552 5.324 1.00 0.00 C ATOM 837 CD2 LEU A 53 13.005 -1.170 6.377 1.00 0.00 C ATOM 0 H LEU A 53 12.418 -1.151 2.377 1.00 0.00 H new ATOM 0 HA LEU A 53 14.788 -0.632 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.959 -3.048 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.091 -2.933 4.869 1.00 0.00 H new ATOM 0 HG LEU A 53 12.037 -0.740 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.459 -2.030 5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.770 -2.869 4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.561 -3.426 5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.255 -0.647 6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.357 -2.044 6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.844 -0.502 6.183 1.00 0.00 H new ATOM 849 N GLY A 54 15.107 -2.236 1.329 1.00 0.00 N ATOM 850 CA GLY A 54 16.115 -2.924 0.477 1.00 0.00 C ATOM 851 C GLY A 54 15.601 -4.317 0.106 1.00 0.00 C ATOM 852 O GLY A 54 14.772 -4.875 0.798 1.00 0.00 O ATOM 0 H GLY A 54 14.257 -1.945 0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.303 -2.342 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.063 -3.004 1.009 1.00 0.00 H new ATOM 856 N PRO A 55 16.114 -4.838 -0.977 1.00 0.00 N ATOM 857 CA PRO A 55 15.700 -6.184 -1.442 1.00 0.00 C ATOM 858 C PRO A 55 16.225 -7.264 -0.490 1.00 0.00 C ATOM 859 O PRO A 55 15.743 -8.380 -0.476 1.00 0.00 O ATOM 860 CB PRO A 55 16.344 -6.302 -2.821 1.00 0.00 C ATOM 861 CG PRO A 55 17.504 -5.360 -2.783 1.00 0.00 C ATOM 862 CD PRO A 55 17.118 -4.233 -1.861 1.00 0.00 C ATOM 0 HA PRO A 55 14.618 -6.314 -1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 55 16.670 -7.323 -3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.642 -6.033 -3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.400 -5.865 -2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 55 17.729 -4.984 -3.781 1.00 0.00 H new ATOM 0 HD2 PRO A 55 17.976 -3.863 -1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 55 16.709 -3.386 -2.412 1.00 0.00 H new ATOM 870 N ALA A 56 17.206 -6.938 0.312 1.00 0.00 N ATOM 871 CA ALA A 56 17.755 -7.941 1.268 1.00 0.00 C ATOM 872 C ALA A 56 17.123 -7.748 2.650 1.00 0.00 C ATOM 873 O ALA A 56 17.692 -8.114 3.661 1.00 0.00 O ATOM 874 CB ALA A 56 19.258 -7.659 1.319 1.00 0.00 C ATOM 0 H ALA A 56 17.649 -6.020 0.345 1.00 0.00 H new ATOM 0 HA ALA A 56 17.545 -8.966 0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.736 -8.359 2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.684 -7.778 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.425 -6.639 1.666 1.00 0.00 H new ATOM 880 N CYS A 57 15.949 -7.175 2.701 1.00 0.00 N ATOM 881 CA CYS A 57 15.275 -6.955 4.013 1.00 0.00 C ATOM 882 C CYS A 57 13.825 -7.440 3.949 1.00 0.00 C ATOM 883 O CYS A 57 12.934 -6.710 3.563 1.00 0.00 O ATOM 884 CB CYS A 57 15.326 -5.443 4.236 1.00 0.00 C ATOM 885 SG CYS A 57 16.977 -4.971 4.809 1.00 0.00 S ATOM 0 H CYS A 57 15.427 -6.849 1.887 1.00 0.00 H new ATOM 0 HA CYS A 57 15.758 -7.502 4.823 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.088 -4.920 3.310 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.577 -5.148 4.970 1.00 0.00 H new ATOM 0 HG CYS A 57 17.279 -3.796 4.341 1.00 0.00 H new ATOM 891 N ASP A 58 13.583 -8.669 4.321 1.00 0.00 N ATOM 892 CA ASP A 58 12.191 -9.205 4.279 1.00 0.00 C ATOM 893 C ASP A 58 11.408 -8.748 5.512 1.00 0.00 C ATOM 894 O ASP A 58 11.973 -8.273 6.477 1.00 0.00 O ATOM 895 CB ASP A 58 12.348 -10.728 4.280 1.00 0.00 C ATOM 896 CG ASP A 58 11.913 -11.291 2.925 1.00 0.00 C ATOM 897 OD1 ASP A 58 12.317 -10.735 1.917 1.00 0.00 O ATOM 898 OD2 ASP A 58 11.184 -12.269 2.919 1.00 0.00 O ATOM 0 H ASP A 58 14.290 -9.325 4.652 1.00 0.00 H new ATOM 0 HA ASP A 58 11.643 -8.852 3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.385 -10.996 4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.746 -11.165 5.077 1.00 0.00 H new ATOM 903 N LEU A 59 10.111 -8.897 5.487 1.00 0.00 N ATOM 904 CA LEU A 59 9.284 -8.481 6.655 1.00 0.00 C ATOM 905 C LEU A 59 8.191 -9.522 6.911 1.00 0.00 C ATOM 906 O LEU A 59 7.016 -9.257 6.750 1.00 0.00 O ATOM 907 CB LEU A 59 8.666 -7.140 6.254 1.00 0.00 C ATOM 908 CG LEU A 59 9.770 -6.094 6.073 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.158 -4.789 5.557 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.458 -5.839 7.417 1.00 0.00 C ATOM 0 H LEU A 59 9.587 -9.290 4.705 1.00 0.00 H new ATOM 0 HA LEU A 59 9.870 -8.395 7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.102 -7.251 5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.962 -6.811 7.018 1.00 0.00 H new ATOM 0 HG LEU A 59 10.503 -6.461 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.944 -4.045 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.669 -4.970 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.425 -4.422 6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.244 -5.095 7.288 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.726 -5.473 8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.895 -6.768 7.784 1.00 0.00 H new ATOM 922 N THR A 60 8.574 -10.706 7.302 1.00 0.00 N ATOM 923 CA THR A 60 7.564 -11.774 7.562 1.00 0.00 C ATOM 924 C THR A 60 6.899 -11.576 8.930 1.00 0.00 C ATOM 925 O THR A 60 6.034 -12.336 9.320 1.00 0.00 O ATOM 926 CB THR A 60 8.355 -13.086 7.541 1.00 0.00 C ATOM 927 OG1 THR A 60 9.483 -12.951 6.685 1.00 0.00 O ATOM 928 CG2 THR A 60 7.459 -14.211 7.027 1.00 0.00 C ATOM 0 H THR A 60 9.544 -10.982 7.453 1.00 0.00 H new ATOM 0 HA THR A 60 6.765 -11.762 6.821 1.00 0.00 H new ATOM 0 HB THR A 60 8.693 -13.320 8.550 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.988 -13.791 6.675 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.021 -15.145 7.012 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.596 -14.317 7.684 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.120 -13.974 6.018 1.00 0.00 H new ATOM 936 N LEU A 61 7.294 -10.568 9.664 1.00 0.00 N ATOM 937 CA LEU A 61 6.678 -10.338 11.003 1.00 0.00 C ATOM 938 C LEU A 61 5.912 -9.010 11.026 1.00 0.00 C ATOM 939 O LEU A 61 5.381 -8.612 12.045 1.00 0.00 O ATOM 940 CB LEU A 61 7.856 -10.299 11.975 1.00 0.00 C ATOM 941 CG LEU A 61 8.576 -11.649 11.952 1.00 0.00 C ATOM 942 CD1 LEU A 61 9.897 -11.540 12.712 1.00 0.00 C ATOM 943 CD2 LEU A 61 7.691 -12.708 12.613 1.00 0.00 C ATOM 0 H LEU A 61 8.014 -9.897 9.395 1.00 0.00 H new ATOM 0 HA LEU A 61 5.958 -11.114 11.262 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.545 -9.502 11.697 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.504 -10.079 12.983 1.00 0.00 H new ATOM 0 HG LEU A 61 8.777 -11.935 10.920 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.408 -12.503 12.694 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.527 -10.786 12.240 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.700 -11.253 13.745 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.202 -13.671 12.598 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.489 -12.421 13.645 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.750 -12.788 12.068 1.00 0.00 H new ATOM 955 N PHE A 62 5.844 -8.324 9.915 1.00 0.00 N ATOM 956 CA PHE A 62 5.107 -7.028 9.882 1.00 0.00 C ATOM 957 C PHE A 62 3.630 -7.276 9.559 1.00 0.00 C ATOM 958 O PHE A 62 3.300 -7.971 8.618 1.00 0.00 O ATOM 959 CB PHE A 62 5.783 -6.217 8.770 1.00 0.00 C ATOM 960 CG PHE A 62 4.899 -5.056 8.367 1.00 0.00 C ATOM 961 CD1 PHE A 62 4.843 -3.906 9.165 1.00 0.00 C ATOM 962 CD2 PHE A 62 4.136 -5.132 7.196 1.00 0.00 C ATOM 963 CE1 PHE A 62 4.024 -2.834 8.791 1.00 0.00 C ATOM 964 CE2 PHE A 62 3.318 -4.060 6.822 1.00 0.00 C ATOM 965 CZ PHE A 62 3.261 -2.911 7.619 1.00 0.00 C ATOM 0 H PHE A 62 6.267 -8.606 9.030 1.00 0.00 H new ATOM 0 HA PHE A 62 5.137 -6.503 10.837 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.749 -5.847 9.114 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.975 -6.856 7.908 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.432 -3.846 10.069 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.179 -6.019 6.581 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.981 -1.947 9.406 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.730 -4.119 5.918 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.629 -2.084 7.330 1.00 0.00 H new ATOM 975 N ASP A 63 2.742 -6.708 10.330 1.00 0.00 N ATOM 976 CA ASP A 63 1.289 -6.904 10.066 1.00 0.00 C ATOM 977 C ASP A 63 0.761 -5.765 9.188 1.00 0.00 C ATOM 978 O ASP A 63 0.655 -4.633 9.618 1.00 0.00 O ATOM 979 CB ASP A 63 0.628 -6.880 11.443 1.00 0.00 C ATOM 980 CG ASP A 63 0.469 -8.312 11.957 1.00 0.00 C ATOM 981 OD1 ASP A 63 1.441 -9.048 11.914 1.00 0.00 O ATOM 982 OD2 ASP A 63 -0.623 -8.650 12.385 1.00 0.00 O ATOM 0 H ASP A 63 2.961 -6.116 11.132 1.00 0.00 H new ATOM 0 HA ASP A 63 1.082 -7.835 9.538 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.233 -6.298 12.138 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.346 -6.394 11.382 1.00 0.00 H new ATOM 987 N PHE A 64 0.440 -6.058 7.957 1.00 0.00 N ATOM 988 CA PHE A 64 -0.072 -5.002 7.033 1.00 0.00 C ATOM 989 C PHE A 64 -1.317 -4.319 7.619 1.00 0.00 C ATOM 990 O PHE A 64 -1.585 -3.167 7.344 1.00 0.00 O ATOM 991 CB PHE A 64 -0.416 -5.752 5.740 1.00 0.00 C ATOM 992 CG PHE A 64 -1.226 -4.866 4.820 1.00 0.00 C ATOM 993 CD1 PHE A 64 -2.616 -4.790 4.969 1.00 0.00 C ATOM 994 CD2 PHE A 64 -0.589 -4.125 3.817 1.00 0.00 C ATOM 995 CE1 PHE A 64 -3.369 -3.973 4.118 1.00 0.00 C ATOM 996 CE2 PHE A 64 -1.342 -3.307 2.965 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.732 -3.231 3.116 1.00 0.00 C ATOM 0 H PHE A 64 0.511 -6.990 7.548 1.00 0.00 H new ATOM 0 HA PHE A 64 0.658 -4.210 6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.500 -6.067 5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.979 -6.656 5.974 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.108 -5.363 5.742 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.483 -4.184 3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.441 -3.915 4.234 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.851 -2.735 2.192 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.313 -2.600 2.460 1.00 0.00 H new ATOM 1007 N LYS A 65 -2.085 -5.018 8.410 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.315 -4.399 8.987 1.00 0.00 C ATOM 1009 C LYS A 65 -3.001 -3.654 10.293 1.00 0.00 C ATOM 1010 O LYS A 65 -3.431 -2.535 10.491 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.261 -5.573 9.254 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.658 -5.234 8.729 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.640 -5.221 7.199 1.00 0.00 C ATOM 1014 CE LYS A 65 -6.897 -4.523 6.676 1.00 0.00 C ATOM 1015 NZ LYS A 65 -7.104 -5.078 5.309 1.00 0.00 N ATOM 0 H LYS A 65 -1.916 -5.987 8.681 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.749 -3.662 8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.887 -6.473 8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.304 -5.783 10.323 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.381 -5.967 9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.974 -4.262 9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.749 -4.705 6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.593 -6.241 6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.755 -4.723 7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.765 -3.441 6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.626 -4.389 4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.181 -5.271 4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.649 -5.961 5.372 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.268 -4.265 11.187 1.00 0.00 N ATOM 1030 CA GLN A 66 -1.947 -3.585 12.480 1.00 0.00 C ATOM 1031 C GLN A 66 -0.868 -2.516 12.281 1.00 0.00 C ATOM 1032 O GLN A 66 -1.049 -1.368 12.638 1.00 0.00 O ATOM 1033 CB GLN A 66 -1.438 -4.695 13.400 1.00 0.00 C ATOM 1034 CG GLN A 66 -2.620 -5.531 13.900 1.00 0.00 C ATOM 1035 CD GLN A 66 -2.734 -6.808 13.065 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -2.484 -6.796 11.875 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -3.106 -7.919 13.642 1.00 0.00 N ATOM 0 H GLN A 66 -1.879 -5.202 11.080 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.816 -3.075 12.895 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.732 -5.329 12.865 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.902 -4.263 14.245 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.482 -5.783 14.951 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.542 -4.954 13.829 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.316 -7.930 14.640 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.187 -8.776 13.095 1.00 0.00 H new ATOM 1046 N GLY A 67 0.254 -2.881 11.721 1.00 0.00 N ATOM 1047 CA GLY A 67 1.343 -1.884 11.509 1.00 0.00 C ATOM 1048 C GLY A 67 2.386 -2.029 12.617 1.00 0.00 C ATOM 1049 O GLY A 67 2.753 -1.070 13.267 1.00 0.00 O ATOM 0 H GLY A 67 0.464 -3.827 11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.807 -2.038 10.535 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.932 -0.874 11.511 1.00 0.00 H new ATOM 1053 N ILE A 68 2.867 -3.222 12.836 1.00 0.00 N ATOM 1054 CA ILE A 68 3.888 -3.435 13.903 1.00 0.00 C ATOM 1055 C ILE A 68 4.739 -4.666 13.581 1.00 0.00 C ATOM 1056 O ILE A 68 4.278 -5.604 12.959 1.00 0.00 O ATOM 1057 CB ILE A 68 3.093 -3.648 15.196 1.00 0.00 C ATOM 1058 CG1 ILE A 68 1.888 -4.561 14.924 1.00 0.00 C ATOM 1059 CG2 ILE A 68 2.606 -2.293 15.713 1.00 0.00 C ATOM 1060 CD1 ILE A 68 1.128 -4.821 16.225 1.00 0.00 C ATOM 0 H ILE A 68 2.597 -4.060 12.322 1.00 0.00 H new ATOM 0 HA ILE A 68 4.571 -2.590 13.989 1.00 0.00 H new ATOM 0 HB ILE A 68 3.732 -4.119 15.943 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.226 -4.096 14.193 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.225 -5.505 14.495 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.039 -2.437 16.633 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.463 -1.650 15.912 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.968 -1.826 14.963 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.275 -5.469 16.025 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.790 -5.305 16.943 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.776 -3.875 16.636 1.00 0.00 H new ATOM 1072 N LEU A 69 5.977 -4.667 13.996 1.00 0.00 N ATOM 1073 CA LEU A 69 6.861 -5.834 13.714 1.00 0.00 C ATOM 1074 C LEU A 69 6.913 -6.758 14.934 1.00 0.00 C ATOM 1075 O LEU A 69 7.858 -6.740 15.697 1.00 0.00 O ATOM 1076 CB LEU A 69 8.242 -5.229 13.435 1.00 0.00 C ATOM 1077 CG LEU A 69 8.541 -5.281 11.934 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.929 -4.690 11.672 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.514 -6.733 11.449 1.00 0.00 C ATOM 0 H LEU A 69 6.415 -3.909 14.519 1.00 0.00 H new ATOM 0 HA LEU A 69 6.505 -6.433 12.876 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.274 -4.197 13.785 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.007 -5.777 13.986 1.00 0.00 H new ATOM 0 HG LEU A 69 7.786 -4.706 11.398 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.144 -4.726 10.604 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.954 -3.655 12.013 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.679 -5.268 12.213 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.727 -6.764 10.381 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.267 -7.310 11.986 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.529 -7.160 11.635 1.00 0.00 H new