USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 439 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 6 CYS SG : rot 170:sc= -5.03! USER MOD Single : A 8 THR OG1 : rot 174:sc= 1.17 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.283 K(o=-0.28,f=-0.89) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.077) USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= 1.51 (180deg=0.704) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.769 K(o=0.77,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 3 0.772 12.030 7.963 1.00 0.00 N ATOM 32 CA GLY A 3 -0.548 12.123 7.335 1.00 0.00 C ATOM 33 C GLY A 3 -0.463 11.765 5.859 1.00 0.00 C ATOM 34 O GLY A 3 -0.767 12.586 4.985 1.00 0.00 O ATOM 0 HA2 GLY A 3 -1.245 11.452 7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.940 13.134 7.448 1.00 0.00 H new ATOM 38 N ALA A 4 -0.014 10.526 5.597 1.00 0.00 N ATOM 39 CA ALA A 4 0.264 10.011 4.254 1.00 0.00 C ATOM 40 C ALA A 4 -0.364 8.622 4.112 1.00 0.00 C ATOM 41 O ALA A 4 0.017 7.682 4.818 1.00 0.00 O ATOM 42 CB ALA A 4 1.788 9.966 4.001 1.00 0.00 C ATOM 0 H ALA A 4 0.168 9.843 6.332 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.173 10.673 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.979 9.581 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.201 10.971 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.260 9.314 4.736 1.00 0.00 H new ATOM 48 N ARG A 5 -1.360 8.523 3.225 1.00 0.00 N ATOM 49 CA ARG A 5 -2.050 7.269 2.890 1.00 0.00 C ATOM 50 C ARG A 5 -2.075 7.095 1.372 1.00 0.00 C ATOM 51 O ARG A 5 -2.023 8.073 0.612 1.00 0.00 O ATOM 52 CB ARG A 5 -3.508 7.260 3.436 1.00 0.00 C ATOM 53 CG ARG A 5 -3.635 7.174 4.970 1.00 0.00 C ATOM 54 CD ARG A 5 -5.102 7.196 5.442 1.00 0.00 C ATOM 55 NE ARG A 5 -5.199 7.082 6.910 1.00 0.00 N ATOM 56 CZ ARG A 5 -5.507 8.074 7.762 1.00 0.00 C ATOM 57 NH1 ARG A 5 -5.757 9.308 7.325 1.00 0.00 N ATOM 58 NH2 ARG A 5 -5.546 7.819 9.064 1.00 0.00 N ATOM 0 H ARG A 5 -1.717 9.327 2.709 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.508 6.446 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.012 8.165 3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.038 6.416 2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -3.158 6.259 5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.098 8.007 5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.577 8.121 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.648 6.376 4.975 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.015 6.164 7.316 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -5.716 9.514 6.327 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.989 10.047 7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.344 6.880 9.406 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.778 8.562 9.723 1.00 0.00 H new ATOM 72 N CYS A 6 -2.170 5.835 0.955 1.00 0.00 N ATOM 73 CA CYS A 6 -2.341 5.441 -0.443 1.00 0.00 C ATOM 74 C CYS A 6 -3.614 4.594 -0.565 1.00 0.00 C ATOM 75 O CYS A 6 -4.271 4.297 0.440 1.00 0.00 O ATOM 76 CB CYS A 6 -1.107 4.646 -0.923 1.00 0.00 C ATOM 77 SG CYS A 6 0.443 5.553 -0.809 1.00 0.00 S ATOM 0 H CYS A 6 -2.129 5.041 1.593 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.437 6.327 -1.071 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.025 3.733 -0.334 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.263 4.344 -1.959 1.00 0.00 H new ATOM 0 HG CYS A 6 1.437 4.744 -1.027 1.00 0.00 H new ATOM 83 N ARG A 7 -3.955 4.227 -1.800 1.00 0.00 N ATOM 84 CA ARG A 7 -5.094 3.363 -2.117 1.00 0.00 C ATOM 85 C ARG A 7 -4.806 2.712 -3.478 1.00 0.00 C ATOM 86 O ARG A 7 -4.456 3.413 -4.435 1.00 0.00 O ATOM 87 CB ARG A 7 -6.398 4.214 -2.110 1.00 0.00 C ATOM 88 CG ARG A 7 -7.740 3.448 -2.280 1.00 0.00 C ATOM 89 CD ARG A 7 -8.198 3.350 -3.748 1.00 0.00 C ATOM 90 NE ARG A 7 -8.429 4.676 -4.353 1.00 0.00 N ATOM 91 CZ ARG A 7 -7.926 5.099 -5.529 1.00 0.00 C ATOM 92 NH1 ARG A 7 -7.130 4.325 -6.266 1.00 0.00 N ATOM 93 NH2 ARG A 7 -8.233 6.306 -5.966 1.00 0.00 N ATOM 0 H ARG A 7 -3.437 4.528 -2.626 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.236 2.573 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.439 4.764 -1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.325 4.952 -2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.632 2.443 -1.871 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.513 3.948 -1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.444 2.816 -4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.116 2.764 -3.802 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.020 5.328 -3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.888 3.388 -5.943 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.762 4.669 -7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.845 6.908 -5.415 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.858 6.637 -6.855 1.00 0.00 H new ATOM 107 N THR A 8 -4.932 1.379 -3.542 1.00 0.00 N ATOM 108 CA THR A 8 -4.603 0.577 -4.729 1.00 0.00 C ATOM 109 C THR A 8 -5.559 0.877 -5.889 1.00 0.00 C ATOM 110 O THR A 8 -6.739 1.187 -5.678 1.00 0.00 O ATOM 111 CB THR A 8 -4.643 -0.950 -4.398 1.00 0.00 C ATOM 112 OG1 THR A 8 -5.899 -1.268 -3.778 1.00 0.00 O ATOM 113 CG2 THR A 8 -3.488 -1.370 -3.476 1.00 0.00 C ATOM 0 H THR A 8 -5.270 0.819 -2.759 1.00 0.00 H new ATOM 0 HA THR A 8 -3.592 0.850 -5.033 1.00 0.00 H new ATOM 0 HB THR A 8 -4.532 -1.500 -5.333 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.968 -2.238 -3.657 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.555 -2.439 -3.272 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.537 -1.152 -3.962 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.551 -0.817 -2.539 1.00 0.00 H new ATOM 121 N LEU A 9 -5.032 0.780 -7.109 1.00 0.00 N ATOM 122 CA LEU A 9 -5.795 1.017 -8.329 1.00 0.00 C ATOM 123 C LEU A 9 -6.624 -0.229 -8.675 1.00 0.00 C ATOM 124 O LEU A 9 -7.858 -0.187 -8.660 1.00 0.00 O ATOM 125 CB LEU A 9 -4.820 1.387 -9.477 1.00 0.00 C ATOM 126 CG LEU A 9 -3.978 2.679 -9.246 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.949 2.883 -10.375 1.00 0.00 C ATOM 128 CD2 LEU A 9 -4.895 3.914 -9.070 1.00 0.00 C ATOM 0 H LEU A 9 -4.057 0.533 -7.277 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.486 1.847 -8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.138 0.552 -9.635 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.395 1.507 -10.395 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.417 2.556 -8.320 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.377 3.792 -10.186 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.273 2.029 -10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.469 2.973 -11.329 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.283 4.802 -8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.501 4.048 -9.966 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.547 3.763 -8.210 1.00 0.00 H new ATOM 140 N TYR A 10 -5.923 -1.344 -8.941 1.00 0.00 N ATOM 141 CA TYR A 10 -6.523 -2.596 -9.453 1.00 0.00 C ATOM 142 C TYR A 10 -5.833 -3.819 -8.786 1.00 0.00 C ATOM 143 O TYR A 10 -4.762 -3.647 -8.178 1.00 0.00 O ATOM 144 CB TYR A 10 -6.381 -2.632 -11.009 1.00 0.00 C ATOM 145 CG TYR A 10 -7.185 -1.538 -11.733 1.00 0.00 C ATOM 146 CD1 TYR A 10 -8.582 -1.571 -11.750 1.00 0.00 C ATOM 147 CD2 TYR A 10 -6.555 -0.453 -12.356 1.00 0.00 C ATOM 148 CE1 TYR A 10 -9.315 -0.576 -12.368 1.00 0.00 C ATOM 149 CE2 TYR A 10 -7.290 0.546 -12.968 1.00 0.00 C ATOM 150 CZ TYR A 10 -8.667 0.481 -12.969 1.00 0.00 C ATOM 151 OH TYR A 10 -9.395 1.479 -13.577 1.00 0.00 O ATOM 0 H TYR A 10 -4.914 -1.406 -8.807 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.583 -2.637 -9.204 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.328 -2.529 -11.271 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.705 -3.608 -11.371 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.098 -2.390 -11.271 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.477 -0.396 -12.358 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.394 -0.627 -12.380 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.787 1.375 -13.444 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.784 2.148 -13.950 1.00 0.00 H new ATOM 161 N PRO A 11 -6.430 -5.070 -8.860 1.00 0.00 N ATOM 162 CA PRO A 11 -5.832 -6.286 -8.240 1.00 0.00 C ATOM 163 C PRO A 11 -4.457 -6.641 -8.849 1.00 0.00 C ATOM 164 O PRO A 11 -4.352 -6.875 -10.054 1.00 0.00 O ATOM 165 CB PRO A 11 -6.869 -7.416 -8.534 1.00 0.00 C ATOM 166 CG PRO A 11 -8.134 -6.696 -8.878 1.00 0.00 C ATOM 167 CD PRO A 11 -7.715 -5.405 -9.536 1.00 0.00 C ATOM 0 HA PRO A 11 -5.645 -6.140 -7.176 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.539 -8.051 -9.356 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.005 -8.063 -7.667 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.752 -7.293 -9.549 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.728 -6.503 -7.985 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.583 -5.527 -10.611 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.460 -4.622 -9.393 1.00 0.00 H new ATOM 175 N PHE A 12 -3.424 -6.687 -8.005 1.00 0.00 N ATOM 176 CA PHE A 12 -2.067 -7.061 -8.429 1.00 0.00 C ATOM 177 C PHE A 12 -1.892 -8.576 -8.253 1.00 0.00 C ATOM 178 O PHE A 12 -2.418 -9.165 -7.296 1.00 0.00 O ATOM 179 CB PHE A 12 -0.992 -6.273 -7.620 1.00 0.00 C ATOM 180 CG PHE A 12 -0.870 -6.658 -6.141 1.00 0.00 C ATOM 181 CD1 PHE A 12 -1.853 -6.296 -5.220 1.00 0.00 C ATOM 182 CD2 PHE A 12 0.228 -7.391 -5.674 1.00 0.00 C ATOM 183 CE1 PHE A 12 -1.743 -6.656 -3.894 1.00 0.00 C ATOM 184 CE2 PHE A 12 0.332 -7.747 -4.342 1.00 0.00 C ATOM 185 CZ PHE A 12 -0.656 -7.379 -3.455 1.00 0.00 C ATOM 0 H PHE A 12 -3.501 -6.468 -7.012 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.931 -6.802 -9.479 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.023 -6.419 -8.097 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.221 -5.209 -7.683 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.710 -5.727 -5.550 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.005 -7.683 -6.365 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.514 -6.369 -3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.186 -8.312 -3.998 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.578 -7.658 -2.415 1.00 0.00 H new ATOM 195 N SER A 13 -1.171 -9.201 -9.181 1.00 0.00 N ATOM 196 CA SER A 13 -0.912 -10.646 -9.153 1.00 0.00 C ATOM 197 C SER A 13 0.598 -10.907 -9.226 1.00 0.00 C ATOM 198 O SER A 13 1.221 -11.266 -8.221 1.00 0.00 O ATOM 199 CB SER A 13 -1.669 -11.347 -10.316 1.00 0.00 C ATOM 200 OG SER A 13 -3.064 -11.098 -10.241 1.00 0.00 O ATOM 0 H SER A 13 -0.748 -8.723 -9.976 1.00 0.00 H new ATOM 0 HA SER A 13 -1.281 -11.064 -8.216 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.284 -10.991 -11.272 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.486 -12.421 -10.278 1.00 0.00 H new ATOM 0 HG SER A 13 -3.517 -11.548 -10.984 1.00 0.00 H new ATOM 206 N GLY A 14 1.186 -10.681 -10.416 1.00 0.00 N ATOM 207 CA GLY A 14 2.566 -11.077 -10.699 1.00 0.00 C ATOM 208 C GLY A 14 2.641 -12.532 -11.160 1.00 0.00 C ATOM 209 O GLY A 14 1.767 -13.343 -10.820 1.00 0.00 O ATOM 0 H GLY A 14 0.717 -10.223 -11.197 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.983 -10.427 -11.469 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.176 -10.944 -9.805 1.00 0.00 H new ATOM 213 N GLU A 15 3.674 -12.848 -11.948 1.00 0.00 N ATOM 214 CA GLU A 15 3.864 -14.185 -12.545 1.00 0.00 C ATOM 215 C GLU A 15 4.347 -15.201 -11.491 1.00 0.00 C ATOM 216 O GLU A 15 4.002 -16.388 -11.555 1.00 0.00 O ATOM 217 CB GLU A 15 4.868 -14.104 -13.731 1.00 0.00 C ATOM 218 CG GLU A 15 4.354 -13.344 -14.984 1.00 0.00 C ATOM 219 CD GLU A 15 3.986 -11.863 -14.738 1.00 0.00 C ATOM 220 OE1 GLU A 15 4.883 -11.073 -14.373 1.00 0.00 O ATOM 221 OE2 GLU A 15 2.803 -11.485 -14.882 1.00 0.00 O ATOM 0 H GLU A 15 4.408 -12.184 -12.194 1.00 0.00 H new ATOM 0 HA GLU A 15 2.902 -14.531 -12.923 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.780 -13.620 -13.381 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.138 -15.118 -14.027 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.119 -13.390 -15.759 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.477 -13.862 -15.372 1.00 0.00 H new ATOM 228 N ARG A 16 5.133 -14.711 -10.520 1.00 0.00 N ATOM 229 CA ARG A 16 5.739 -15.534 -9.467 1.00 0.00 C ATOM 230 C ARG A 16 6.202 -14.625 -8.319 1.00 0.00 C ATOM 231 O ARG A 16 6.865 -13.609 -8.565 1.00 0.00 O ATOM 232 CB ARG A 16 6.933 -16.337 -10.045 1.00 0.00 C ATOM 233 CG ARG A 16 7.691 -17.212 -9.022 1.00 0.00 C ATOM 234 CD ARG A 16 8.883 -17.961 -9.645 1.00 0.00 C ATOM 235 NE ARG A 16 9.613 -18.762 -8.639 1.00 0.00 N ATOM 236 CZ ARG A 16 9.873 -20.075 -8.728 1.00 0.00 C ATOM 237 NH1 ARG A 16 9.436 -20.789 -9.755 1.00 0.00 N ATOM 238 NH2 ARG A 16 10.575 -20.665 -7.781 1.00 0.00 N ATOM 0 H ARG A 16 5.367 -13.721 -10.445 1.00 0.00 H new ATOM 0 HA ARG A 16 5.004 -16.242 -9.084 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.566 -16.978 -10.846 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.638 -15.637 -10.494 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.049 -16.583 -8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.001 -17.935 -8.587 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.526 -18.615 -10.441 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.564 -17.244 -10.103 1.00 0.00 H new ATOM 0 HE ARG A 16 9.947 -18.275 -7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.893 -20.341 -10.493 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.643 -21.786 -9.807 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.917 -20.123 -6.987 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.776 -21.663 -7.842 1.00 0.00 H new ATOM 252 N HIS A 17 5.833 -14.993 -7.074 1.00 0.00 N ATOM 253 CA HIS A 17 6.203 -14.257 -5.846 1.00 0.00 C ATOM 254 C HIS A 17 5.975 -15.161 -4.610 1.00 0.00 C ATOM 255 O HIS A 17 4.835 -15.546 -4.315 1.00 0.00 O ATOM 256 CB HIS A 17 5.413 -12.908 -5.714 1.00 0.00 C ATOM 257 CG HIS A 17 3.900 -13.027 -5.793 1.00 0.00 C ATOM 258 ND1 HIS A 17 3.090 -12.754 -4.713 1.00 0.00 N ATOM 259 CD2 HIS A 17 3.118 -13.388 -6.843 1.00 0.00 C ATOM 260 CE1 HIS A 17 1.854 -12.954 -5.131 1.00 0.00 C ATOM 261 NE2 HIS A 17 1.820 -13.341 -6.414 1.00 0.00 N ATOM 0 H HIS A 17 5.263 -15.819 -6.891 1.00 0.00 H new ATOM 0 HA HIS A 17 7.260 -13.997 -5.907 1.00 0.00 H new ATOM 0 HB2 HIS A 17 5.675 -12.445 -4.762 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.749 -12.232 -6.500 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.457 -13.661 -7.831 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.977 -12.822 -4.515 1.00 0.00 H new ATOM 0 HE2 HIS A 17 0.988 -13.558 -6.963 1.00 0.00 H new ATOM 269 N GLY A 18 7.079 -15.507 -3.912 1.00 0.00 N ATOM 270 CA GLY A 18 7.040 -16.381 -2.728 1.00 0.00 C ATOM 271 C GLY A 18 6.193 -15.796 -1.608 1.00 0.00 C ATOM 272 O GLY A 18 5.323 -16.476 -1.050 1.00 0.00 O ATOM 0 H GLY A 18 8.017 -15.188 -4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.642 -17.355 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.055 -16.544 -2.366 1.00 0.00 H new ATOM 276 N GLN A 19 6.435 -14.509 -1.311 1.00 0.00 N ATOM 277 CA GLN A 19 5.651 -13.739 -0.331 1.00 0.00 C ATOM 278 C GLN A 19 5.743 -12.230 -0.647 1.00 0.00 C ATOM 279 O GLN A 19 6.753 -11.749 -1.169 1.00 0.00 O ATOM 280 CB GLN A 19 6.142 -14.017 1.127 1.00 0.00 C ATOM 281 CG GLN A 19 5.246 -13.399 2.226 1.00 0.00 C ATOM 282 CD GLN A 19 5.841 -13.486 3.632 1.00 0.00 C ATOM 283 OE1 GLN A 19 6.552 -12.585 4.068 1.00 0.00 O ATOM 284 NE2 GLN A 19 5.561 -14.564 4.342 1.00 0.00 N ATOM 0 H GLN A 19 7.184 -13.970 -1.746 1.00 0.00 H new ATOM 0 HA GLN A 19 4.611 -14.056 -0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.196 -15.095 1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.154 -13.628 1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.061 -12.352 1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.280 -13.903 2.219 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.967 -15.294 3.949 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.939 -14.667 5.284 1.00 0.00 H new ATOM 293 N GLY A 20 4.662 -11.513 -0.332 1.00 0.00 N ATOM 294 CA GLY A 20 4.609 -10.052 -0.381 1.00 0.00 C ATOM 295 C GLY A 20 3.580 -9.540 0.609 1.00 0.00 C ATOM 296 O GLY A 20 3.157 -10.291 1.502 1.00 0.00 O ATOM 0 H GLY A 20 3.785 -11.939 -0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.589 -9.636 -0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.353 -9.722 -1.388 1.00 0.00 H new ATOM 300 N LEU A 21 3.180 -8.268 0.479 1.00 0.00 N ATOM 301 CA LEU A 21 2.114 -7.684 1.309 1.00 0.00 C ATOM 302 C LEU A 21 0.808 -7.674 0.505 1.00 0.00 C ATOM 303 O LEU A 21 0.768 -7.141 -0.608 1.00 0.00 O ATOM 304 CB LEU A 21 2.497 -6.255 1.785 1.00 0.00 C ATOM 305 CG LEU A 21 1.457 -5.547 2.711 1.00 0.00 C ATOM 306 CD1 LEU A 21 1.090 -6.433 3.920 1.00 0.00 C ATOM 307 CD2 LEU A 21 1.968 -4.154 3.160 1.00 0.00 C ATOM 0 H LEU A 21 3.581 -7.619 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 21 1.978 -8.290 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.448 -6.311 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.658 -5.630 0.906 1.00 0.00 H new ATOM 0 HG LEU A 21 0.546 -5.392 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.365 -5.913 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.659 -7.370 3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.987 -6.643 4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.224 -3.684 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.902 -4.269 3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.137 -3.529 2.283 1.00 0.00 H new ATOM 319 N ARG A 22 -0.247 -8.281 1.082 1.00 0.00 N ATOM 320 CA ARG A 22 -1.550 -8.472 0.418 1.00 0.00 C ATOM 321 C ARG A 22 -2.375 -7.174 0.440 1.00 0.00 C ATOM 322 O ARG A 22 -2.473 -6.528 1.480 1.00 0.00 O ATOM 323 CB ARG A 22 -2.360 -9.602 1.126 1.00 0.00 C ATOM 324 CG ARG A 22 -3.608 -10.108 0.345 1.00 0.00 C ATOM 325 CD ARG A 22 -3.283 -11.187 -0.724 1.00 0.00 C ATOM 326 NE ARG A 22 -2.263 -10.751 -1.712 1.00 0.00 N ATOM 327 CZ ARG A 22 -1.042 -11.310 -1.870 1.00 0.00 C ATOM 328 NH1 ARG A 22 -0.655 -12.331 -1.113 1.00 0.00 N ATOM 329 NH2 ARG A 22 -0.210 -10.835 -2.788 1.00 0.00 N ATOM 0 H ARG A 22 -0.218 -8.656 2.030 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.356 -8.753 -0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.695 -10.447 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.684 -9.239 2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.327 -10.517 1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.088 -9.260 -0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.931 -12.089 -0.224 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.199 -11.452 -1.252 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.503 -9.968 -2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.282 -12.704 -0.400 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.269 -12.742 -1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.492 -10.049 -3.374 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.711 -11.256 -2.908 1.00 0.00 H new ATOM 343 N PHE A 23 -2.959 -6.814 -0.716 1.00 0.00 N ATOM 344 CA PHE A 23 -3.941 -5.716 -0.840 1.00 0.00 C ATOM 345 C PHE A 23 -5.121 -6.209 -1.690 1.00 0.00 C ATOM 346 O PHE A 23 -4.942 -7.052 -2.578 1.00 0.00 O ATOM 347 CB PHE A 23 -3.340 -4.452 -1.517 1.00 0.00 C ATOM 348 CG PHE A 23 -2.079 -3.896 -0.869 1.00 0.00 C ATOM 349 CD1 PHE A 23 -2.103 -3.406 0.431 1.00 0.00 C ATOM 350 CD2 PHE A 23 -0.869 -3.869 -1.562 1.00 0.00 C ATOM 351 CE1 PHE A 23 -0.959 -2.903 1.019 1.00 0.00 C ATOM 352 CE2 PHE A 23 0.269 -3.363 -0.973 1.00 0.00 C ATOM 353 CZ PHE A 23 0.227 -2.884 0.316 1.00 0.00 C ATOM 0 H PHE A 23 -2.762 -7.280 -1.602 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.255 -5.437 0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.118 -4.690 -2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.099 -3.670 -1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.028 -3.419 0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.824 -4.249 -2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.993 -2.524 2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.197 -3.342 -1.525 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.122 -2.493 0.777 1.00 0.00 H new ATOM 363 N ALA A 24 -6.322 -5.701 -1.393 1.00 0.00 N ATOM 364 CA ALA A 24 -7.515 -5.881 -2.237 1.00 0.00 C ATOM 365 C ALA A 24 -7.617 -4.705 -3.233 1.00 0.00 C ATOM 366 O ALA A 24 -6.911 -3.695 -3.075 1.00 0.00 O ATOM 367 CB ALA A 24 -8.780 -5.986 -1.362 1.00 0.00 C ATOM 0 H ALA A 24 -6.498 -5.148 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.428 -6.809 -2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.654 -6.119 -2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.688 -6.840 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.894 -5.074 -0.776 1.00 0.00 H new ATOM 373 N ALA A 25 -8.480 -4.846 -4.256 1.00 0.00 N ATOM 374 CA ALA A 25 -8.737 -3.782 -5.253 1.00 0.00 C ATOM 375 C ALA A 25 -9.424 -2.578 -4.580 1.00 0.00 C ATOM 376 O ALA A 25 -10.495 -2.731 -3.975 1.00 0.00 O ATOM 377 CB ALA A 25 -9.609 -4.329 -6.399 1.00 0.00 C ATOM 0 H ALA A 25 -9.019 -5.697 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.786 -3.450 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.792 -3.538 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.093 -5.157 -6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.560 -4.679 -5.997 1.00 0.00 H new ATOM 383 N GLY A 26 -8.779 -1.397 -4.655 1.00 0.00 N ATOM 384 CA GLY A 26 -9.317 -0.168 -4.065 1.00 0.00 C ATOM 385 C GLY A 26 -9.149 -0.104 -2.548 1.00 0.00 C ATOM 386 O GLY A 26 -9.801 0.706 -1.879 1.00 0.00 O ATOM 0 H GLY A 26 -7.881 -1.275 -5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.820 0.691 -4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.376 -0.088 -4.310 1.00 0.00 H new ATOM 390 N GLU A 27 -8.252 -0.954 -2.006 1.00 0.00 N ATOM 391 CA GLU A 27 -7.956 -1.003 -0.556 1.00 0.00 C ATOM 392 C GLU A 27 -6.791 -0.042 -0.236 1.00 0.00 C ATOM 393 O GLU A 27 -5.854 0.109 -1.029 1.00 0.00 O ATOM 394 CB GLU A 27 -7.645 -2.481 -0.091 1.00 0.00 C ATOM 395 CG GLU A 27 -8.478 -2.989 1.119 1.00 0.00 C ATOM 396 CD GLU A 27 -8.081 -2.357 2.473 1.00 0.00 C ATOM 397 OE1 GLU A 27 -8.384 -1.169 2.715 1.00 0.00 O ATOM 398 OE2 GLU A 27 -7.466 -3.042 3.304 1.00 0.00 O ATOM 0 H GLU A 27 -7.714 -1.623 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.834 -0.676 0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.813 -3.152 -0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.587 -2.549 0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.532 -2.785 0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.371 -4.071 1.191 1.00 0.00 H new ATOM 405 N LEU A 28 -6.876 0.603 0.936 1.00 0.00 N ATOM 406 CA LEU A 28 -5.926 1.630 1.389 1.00 0.00 C ATOM 407 C LEU A 28 -4.587 1.004 1.838 1.00 0.00 C ATOM 408 O LEU A 28 -4.488 -0.212 2.033 1.00 0.00 O ATOM 409 CB LEU A 28 -6.541 2.472 2.551 1.00 0.00 C ATOM 410 CG LEU A 28 -7.761 3.397 2.203 1.00 0.00 C ATOM 411 CD1 LEU A 28 -9.039 2.606 1.818 1.00 0.00 C ATOM 412 CD2 LEU A 28 -8.036 4.385 3.362 1.00 0.00 C ATOM 0 H LEU A 28 -7.621 0.422 1.609 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.724 2.287 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.853 1.784 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.752 3.097 2.969 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.485 3.964 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.844 3.304 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.835 1.988 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.337 1.969 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.885 5.019 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.262 3.826 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.156 5.006 3.527 1.00 0.00 H new ATOM 424 N ILE A 29 -3.549 1.859 1.963 1.00 0.00 N ATOM 425 CA ILE A 29 -2.217 1.491 2.480 1.00 0.00 C ATOM 426 C ILE A 29 -1.829 2.548 3.529 1.00 0.00 C ATOM 427 O ILE A 29 -1.833 3.752 3.225 1.00 0.00 O ATOM 428 CB ILE A 29 -1.078 1.437 1.363 1.00 0.00 C ATOM 429 CG1 ILE A 29 -1.440 0.485 0.160 1.00 0.00 C ATOM 430 CG2 ILE A 29 0.289 1.025 1.995 1.00 0.00 C ATOM 431 CD1 ILE A 29 -2.370 1.052 -0.899 1.00 0.00 C ATOM 0 H ILE A 29 -3.617 2.843 1.702 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.287 0.484 2.891 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.996 2.443 0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.513 0.183 -0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.896 -0.418 0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.054 0.993 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.573 1.753 2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.196 0.040 2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.542 0.302 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.320 1.325 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.916 1.936 -1.346 1.00 0.00 H new ATOM 443 N THR A 30 -1.534 2.103 4.761 1.00 0.00 N ATOM 444 CA THR A 30 -1.038 2.977 5.839 1.00 0.00 C ATOM 445 C THR A 30 0.489 3.107 5.720 1.00 0.00 C ATOM 446 O THR A 30 1.217 2.151 6.026 1.00 0.00 O ATOM 447 CB THR A 30 -1.418 2.389 7.246 1.00 0.00 C ATOM 448 OG1 THR A 30 -2.843 2.252 7.342 1.00 0.00 O ATOM 449 CG2 THR A 30 -0.910 3.261 8.410 1.00 0.00 C ATOM 0 H THR A 30 -1.632 1.127 5.039 1.00 0.00 H new ATOM 0 HA THR A 30 -1.500 3.960 5.743 1.00 0.00 H new ATOM 0 HB THR A 30 -0.933 1.417 7.330 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.078 1.884 8.219 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.201 2.808 9.358 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.176 3.336 8.361 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.346 4.257 8.335 1.00 0.00 H new ATOM 457 N LEU A 31 0.967 4.285 5.254 1.00 0.00 N ATOM 458 CA LEU A 31 2.408 4.552 5.071 1.00 0.00 C ATOM 459 C LEU A 31 3.064 4.849 6.434 1.00 0.00 C ATOM 460 O LEU A 31 2.848 5.919 7.026 1.00 0.00 O ATOM 461 CB LEU A 31 2.632 5.723 4.074 1.00 0.00 C ATOM 462 CG LEU A 31 2.043 5.525 2.641 1.00 0.00 C ATOM 463 CD1 LEU A 31 2.269 6.788 1.778 1.00 0.00 C ATOM 464 CD2 LEU A 31 2.615 4.248 1.961 1.00 0.00 C ATOM 0 H LEU A 31 0.368 5.069 4.997 1.00 0.00 H new ATOM 0 HA LEU A 31 2.878 3.665 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.198 6.626 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.704 5.897 3.984 1.00 0.00 H new ATOM 0 HG LEU A 31 0.967 5.377 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.851 6.629 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.778 7.641 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.338 6.986 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.184 4.141 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.699 4.333 1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.364 3.373 2.561 1.00 0.00 H new ATOM 476 N LEU A 32 3.835 3.869 6.931 1.00 0.00 N ATOM 477 CA LEU A 32 4.524 3.948 8.228 1.00 0.00 C ATOM 478 C LEU A 32 5.853 4.705 8.066 1.00 0.00 C ATOM 479 O LEU A 32 6.143 5.646 8.815 1.00 0.00 O ATOM 480 CB LEU A 32 4.769 2.518 8.768 1.00 0.00 C ATOM 481 CG LEU A 32 3.501 1.631 8.961 1.00 0.00 C ATOM 482 CD1 LEU A 32 3.893 0.217 9.430 1.00 0.00 C ATOM 483 CD2 LEU A 32 2.484 2.297 9.926 1.00 0.00 C ATOM 0 H LEU A 32 3.999 2.991 6.439 1.00 0.00 H new ATOM 0 HA LEU A 32 3.904 4.491 8.942 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.446 2.005 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.282 2.596 9.727 1.00 0.00 H new ATOM 0 HG LEU A 32 3.005 1.535 7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.994 -0.386 9.559 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.538 -0.248 8.684 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.425 0.283 10.379 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.612 1.652 10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.951 2.448 10.899 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.173 3.259 9.520 1.00 0.00 H new ATOM 495 N GLN A 33 6.666 4.263 7.080 1.00 0.00 N ATOM 496 CA GLN A 33 7.897 4.957 6.663 1.00 0.00 C ATOM 497 C GLN A 33 7.650 5.634 5.309 1.00 0.00 C ATOM 498 O GLN A 33 6.911 5.100 4.464 1.00 0.00 O ATOM 499 CB GLN A 33 9.127 3.992 6.528 1.00 0.00 C ATOM 500 CG GLN A 33 9.659 3.344 7.826 1.00 0.00 C ATOM 501 CD GLN A 33 8.790 2.203 8.360 1.00 0.00 C ATOM 502 OE1 GLN A 33 7.915 2.403 9.193 1.00 0.00 O ATOM 503 NE2 GLN A 33 9.027 0.996 7.864 1.00 0.00 N ATOM 0 H GLN A 33 6.482 3.410 6.551 1.00 0.00 H new ATOM 0 HA GLN A 33 8.137 5.685 7.438 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.856 3.193 5.838 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.944 4.548 6.068 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.665 2.965 7.644 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.742 4.112 8.595 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.764 0.865 7.171 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.472 0.199 8.175 1.00 0.00 H new ATOM 512 N VAL A 34 8.293 6.794 5.096 1.00 0.00 N ATOM 513 CA VAL A 34 8.296 7.499 3.805 1.00 0.00 C ATOM 514 C VAL A 34 9.758 7.823 3.371 1.00 0.00 C ATOM 515 O VAL A 34 10.182 8.988 3.377 1.00 0.00 O ATOM 516 CB VAL A 34 7.367 8.797 3.828 1.00 0.00 C ATOM 517 CG1 VAL A 34 5.860 8.407 3.844 1.00 0.00 C ATOM 518 CG2 VAL A 34 7.712 9.731 5.027 1.00 0.00 C ATOM 0 H VAL A 34 8.829 7.272 5.821 1.00 0.00 H new ATOM 0 HA VAL A 34 7.864 6.837 3.055 1.00 0.00 H new ATOM 0 HB VAL A 34 7.564 9.353 2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.250 9.311 3.860 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.625 7.826 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.648 7.811 4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.059 10.603 5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.569 9.190 5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.750 10.054 4.950 1.00 0.00 H new ATOM 528 N PRO A 35 10.579 6.773 2.993 1.00 0.00 N ATOM 529 CA PRO A 35 11.985 6.978 2.562 1.00 0.00 C ATOM 530 C PRO A 35 12.069 7.655 1.164 1.00 0.00 C ATOM 531 O PRO A 35 11.354 7.258 0.231 1.00 0.00 O ATOM 532 CB PRO A 35 12.574 5.539 2.557 1.00 0.00 C ATOM 533 CG PRO A 35 11.401 4.649 2.295 1.00 0.00 C ATOM 534 CD PRO A 35 10.213 5.324 2.960 1.00 0.00 C ATOM 0 HA PRO A 35 12.536 7.652 3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.337 5.426 1.786 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.046 5.301 3.510 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.233 4.528 1.225 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.566 3.653 2.707 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.295 5.159 2.396 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.045 4.934 3.964 1.00 0.00 H new ATOM 542 N ASP A 36 12.921 8.701 1.073 1.00 0.00 N ATOM 543 CA ASP A 36 13.193 9.471 -0.166 1.00 0.00 C ATOM 544 C ASP A 36 11.917 10.154 -0.719 1.00 0.00 C ATOM 545 O ASP A 36 11.618 11.298 -0.351 1.00 0.00 O ATOM 546 CB ASP A 36 13.914 8.588 -1.240 1.00 0.00 C ATOM 547 CG ASP A 36 14.055 9.254 -2.630 1.00 0.00 C ATOM 548 OD1 ASP A 36 14.876 10.184 -2.785 1.00 0.00 O ATOM 549 OD2 ASP A 36 13.350 8.841 -3.586 1.00 0.00 O ATOM 0 H ASP A 36 13.451 9.042 1.875 1.00 0.00 H new ATOM 0 HA ASP A 36 13.879 10.277 0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.907 8.330 -0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.364 7.654 -1.353 1.00 0.00 H new ATOM 554 N GLY A 37 11.156 9.436 -1.562 1.00 0.00 N ATOM 555 CA GLY A 37 10.001 10.008 -2.257 1.00 0.00 C ATOM 556 C GLY A 37 9.576 9.189 -3.473 1.00 0.00 C ATOM 557 O GLY A 37 9.199 9.746 -4.513 1.00 0.00 O ATOM 0 H GLY A 37 11.325 8.453 -1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.164 10.080 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.240 11.023 -2.574 1.00 0.00 H new ATOM 561 N GLY A 38 9.606 7.849 -3.329 1.00 0.00 N ATOM 562 CA GLY A 38 9.216 6.920 -4.399 1.00 0.00 C ATOM 563 C GLY A 38 8.562 5.674 -3.818 1.00 0.00 C ATOM 564 O GLY A 38 7.334 5.618 -3.677 1.00 0.00 O ATOM 0 H GLY A 38 9.901 7.385 -2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.526 7.414 -5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.094 6.638 -4.981 1.00 0.00 H new ATOM 568 N TRP A 39 9.395 4.680 -3.456 1.00 0.00 N ATOM 569 CA TRP A 39 8.943 3.450 -2.785 1.00 0.00 C ATOM 570 C TRP A 39 8.817 3.732 -1.286 1.00 0.00 C ATOM 571 O TRP A 39 9.818 4.020 -0.622 1.00 0.00 O ATOM 572 CB TRP A 39 9.925 2.268 -3.020 1.00 0.00 C ATOM 573 CG TRP A 39 10.119 1.864 -4.470 1.00 0.00 C ATOM 574 CD1 TRP A 39 10.557 2.659 -5.489 1.00 0.00 C ATOM 575 CD2 TRP A 39 9.924 0.558 -5.047 1.00 0.00 C ATOM 576 NE1 TRP A 39 10.634 1.940 -6.650 1.00 0.00 N ATOM 577 CE2 TRP A 39 10.250 0.650 -6.408 1.00 0.00 C ATOM 578 CE3 TRP A 39 9.498 -0.677 -4.540 1.00 0.00 C ATOM 579 CZ2 TRP A 39 10.182 -0.442 -7.273 1.00 0.00 C ATOM 580 CZ3 TRP A 39 9.421 -1.760 -5.398 1.00 0.00 C ATOM 581 CH2 TRP A 39 9.762 -1.638 -6.754 1.00 0.00 C ATOM 0 H TRP A 39 10.401 4.709 -3.621 1.00 0.00 H new ATOM 0 HA TRP A 39 7.980 3.158 -3.204 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.895 2.535 -2.601 1.00 0.00 H new ATOM 0 HB3 TRP A 39 9.565 1.402 -2.464 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.807 3.705 -5.393 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.931 2.308 -7.554 1.00 0.00 H new ATOM 0 HE3 TRP A 39 9.234 -0.782 -3.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.451 -0.348 -8.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 9.093 -2.716 -5.017 1.00 0.00 H new ATOM 0 HH2 TRP A 39 9.692 -2.501 -7.399 1.00 0.00 H new ATOM 592 N TRP A 40 7.590 3.677 -0.766 1.00 0.00 N ATOM 593 CA TRP A 40 7.298 3.944 0.651 1.00 0.00 C ATOM 594 C TRP A 40 6.815 2.662 1.339 1.00 0.00 C ATOM 595 O TRP A 40 6.126 1.838 0.724 1.00 0.00 O ATOM 596 CB TRP A 40 6.264 5.095 0.787 1.00 0.00 C ATOM 597 CG TRP A 40 6.760 6.420 0.246 1.00 0.00 C ATOM 598 CD1 TRP A 40 8.023 6.927 0.367 1.00 0.00 C ATOM 599 CD2 TRP A 40 6.012 7.400 -0.479 1.00 0.00 C ATOM 600 NE1 TRP A 40 8.100 8.158 -0.207 1.00 0.00 N ATOM 601 CE2 TRP A 40 6.882 8.472 -0.748 1.00 0.00 C ATOM 602 CE3 TRP A 40 4.696 7.479 -0.919 1.00 0.00 C ATOM 603 CZ2 TRP A 40 6.477 9.608 -1.441 1.00 0.00 C ATOM 604 CZ3 TRP A 40 4.299 8.603 -1.616 1.00 0.00 C ATOM 605 CH2 TRP A 40 5.182 9.660 -1.865 1.00 0.00 C ATOM 0 H TRP A 40 6.763 3.445 -1.316 1.00 0.00 H new ATOM 0 HA TRP A 40 8.212 4.267 1.150 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.351 4.816 0.262 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.003 5.216 1.838 1.00 0.00 H new ATOM 0 HD1 TRP A 40 8.845 6.421 0.851 1.00 0.00 H new ATOM 0 HE1 TRP A 40 8.930 8.751 -0.231 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.999 6.678 -0.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.163 10.419 -1.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.283 8.668 -1.977 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.832 10.530 -2.401 1.00 0.00 H new ATOM 616 N GLU A 41 7.197 2.512 2.623 1.00 0.00 N ATOM 617 CA GLU A 41 6.925 1.309 3.421 1.00 0.00 C ATOM 618 C GLU A 41 5.605 1.473 4.173 1.00 0.00 C ATOM 619 O GLU A 41 5.436 2.419 4.960 1.00 0.00 O ATOM 620 CB GLU A 41 8.074 1.042 4.428 1.00 0.00 C ATOM 621 CG GLU A 41 9.459 0.863 3.786 1.00 0.00 C ATOM 622 CD GLU A 41 10.574 0.641 4.817 1.00 0.00 C ATOM 623 OE1 GLU A 41 10.718 -0.497 5.316 1.00 0.00 O ATOM 624 OE2 GLU A 41 11.299 1.599 5.148 1.00 0.00 O ATOM 0 H GLU A 41 7.707 3.231 3.136 1.00 0.00 H new ATOM 0 HA GLU A 41 6.855 0.457 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.120 1.871 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.836 0.147 5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.430 0.014 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.694 1.745 3.190 1.00 0.00 H new ATOM 631 N GLY A 42 4.685 0.542 3.919 1.00 0.00 N ATOM 632 CA GLY A 42 3.381 0.504 4.549 1.00 0.00 C ATOM 633 C GLY A 42 3.071 -0.860 5.133 1.00 0.00 C ATOM 634 O GLY A 42 3.788 -1.831 4.872 1.00 0.00 O ATOM 0 H GLY A 42 4.836 -0.218 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.338 1.254 5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.617 0.767 3.817 1.00 0.00 H new ATOM 638 N GLU A 43 1.992 -0.931 5.916 1.00 0.00 N ATOM 639 CA GLU A 43 1.502 -2.172 6.526 1.00 0.00 C ATOM 640 C GLU A 43 0.044 -2.383 6.116 1.00 0.00 C ATOM 641 O GLU A 43 -0.657 -1.414 5.789 1.00 0.00 O ATOM 642 CB GLU A 43 1.625 -2.072 8.062 1.00 0.00 C ATOM 643 CG GLU A 43 1.307 -3.361 8.836 1.00 0.00 C ATOM 644 CD GLU A 43 1.475 -3.201 10.354 1.00 0.00 C ATOM 645 OE1 GLU A 43 2.628 -3.063 10.821 1.00 0.00 O ATOM 646 OE2 GLU A 43 0.469 -3.206 11.089 1.00 0.00 O ATOM 0 H GLU A 43 1.425 -0.116 6.148 1.00 0.00 H new ATOM 0 HA GLU A 43 2.095 -3.021 6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.641 -1.762 8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.958 -1.285 8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.284 -3.667 8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.960 -4.160 8.485 1.00 0.00 H new ATOM 653 N LYS A 44 -0.404 -3.643 6.108 1.00 0.00 N ATOM 654 CA LYS A 44 -1.808 -3.989 5.866 1.00 0.00 C ATOM 655 C LYS A 44 -2.311 -4.949 6.965 1.00 0.00 C ATOM 656 O LYS A 44 -1.519 -5.423 7.795 1.00 0.00 O ATOM 657 CB LYS A 44 -1.973 -4.583 4.436 1.00 0.00 C ATOM 658 CG LYS A 44 -3.424 -4.641 3.860 1.00 0.00 C ATOM 659 CD LYS A 44 -4.063 -3.249 3.542 1.00 0.00 C ATOM 660 CE LYS A 44 -4.599 -2.488 4.778 1.00 0.00 C ATOM 661 NZ LYS A 44 -5.334 -1.268 4.402 1.00 0.00 N ATOM 0 H LYS A 44 0.197 -4.451 6.269 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.423 -3.091 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.359 -3.997 3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.568 -5.595 4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.413 -5.237 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.062 -5.163 4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.319 -2.628 3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.882 -3.392 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.255 -3.144 5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.766 -2.223 5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.264 -0.570 5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.924 -0.869 3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.334 -1.502 4.237 1.00 0.00 H new ATOM 675 N GLU A 45 -3.631 -5.231 6.950 1.00 0.00 N ATOM 676 CA GLU A 45 -4.304 -6.135 7.906 1.00 0.00 C ATOM 677 C GLU A 45 -3.843 -7.603 7.719 1.00 0.00 C ATOM 678 O GLU A 45 -4.157 -8.473 8.540 1.00 0.00 O ATOM 679 CB GLU A 45 -5.853 -6.016 7.746 1.00 0.00 C ATOM 680 CG GLU A 45 -6.397 -4.572 7.561 1.00 0.00 C ATOM 681 CD GLU A 45 -5.842 -3.555 8.578 1.00 0.00 C ATOM 682 OE1 GLU A 45 -6.266 -3.581 9.747 1.00 0.00 O ATOM 683 OE2 GLU A 45 -4.983 -2.718 8.204 1.00 0.00 O ATOM 0 H GLU A 45 -4.269 -4.830 6.262 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.026 -5.834 8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.159 -6.614 6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.326 -6.454 8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.156 -4.231 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.484 -4.592 7.640 1.00 0.00 H new ATOM 690 N ASP A 46 -3.111 -7.846 6.616 1.00 0.00 N ATOM 691 CA ASP A 46 -2.369 -9.097 6.353 1.00 0.00 C ATOM 692 C ASP A 46 -1.378 -9.430 7.512 1.00 0.00 C ATOM 693 O ASP A 46 -1.050 -10.600 7.747 1.00 0.00 O ATOM 694 CB ASP A 46 -1.625 -8.938 4.995 1.00 0.00 C ATOM 695 CG ASP A 46 -0.766 -10.147 4.581 1.00 0.00 C ATOM 696 OD1 ASP A 46 -1.302 -11.280 4.519 1.00 0.00 O ATOM 697 OD2 ASP A 46 0.437 -9.966 4.285 1.00 0.00 O ATOM 0 H ASP A 46 -3.016 -7.163 5.864 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.065 -9.934 6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.361 -8.749 4.214 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.985 -8.057 5.049 1.00 0.00 H new ATOM 702 N GLY A 47 -0.939 -8.379 8.244 1.00 0.00 N ATOM 703 CA GLY A 47 -0.051 -8.523 9.412 1.00 0.00 C ATOM 704 C GLY A 47 1.390 -8.189 9.065 1.00 0.00 C ATOM 705 O GLY A 47 2.182 -7.825 9.940 1.00 0.00 O ATOM 0 H GLY A 47 -1.192 -7.412 8.039 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.394 -7.868 10.213 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.108 -9.544 9.789 1.00 0.00 H new ATOM 709 N LEU A 48 1.725 -8.321 7.774 1.00 0.00 N ATOM 710 CA LEU A 48 3.076 -8.060 7.249 1.00 0.00 C ATOM 711 C LEU A 48 3.211 -6.600 6.812 1.00 0.00 C ATOM 712 O LEU A 48 2.238 -5.833 6.828 1.00 0.00 O ATOM 713 CB LEU A 48 3.400 -9.030 6.063 1.00 0.00 C ATOM 714 CG LEU A 48 3.698 -10.526 6.435 1.00 0.00 C ATOM 715 CD1 LEU A 48 4.854 -10.630 7.455 1.00 0.00 C ATOM 716 CD2 LEU A 48 2.424 -11.265 6.923 1.00 0.00 C ATOM 0 H LEU A 48 1.061 -8.614 7.057 1.00 0.00 H new ATOM 0 HA LEU A 48 3.798 -8.243 8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.559 -9.013 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.263 -8.635 5.526 1.00 0.00 H new ATOM 0 HG LEU A 48 4.022 -11.031 5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.036 -11.678 7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.756 -10.192 7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.586 -10.093 8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.674 -12.297 7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.030 -10.765 7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.672 -11.253 6.134 1.00 0.00 H new ATOM 728 N ARG A 49 4.439 -6.230 6.437 1.00 0.00 N ATOM 729 CA ARG A 49 4.765 -4.919 5.868 1.00 0.00 C ATOM 730 C ARG A 49 5.434 -5.129 4.505 1.00 0.00 C ATOM 731 O ARG A 49 5.983 -6.208 4.231 1.00 0.00 O ATOM 732 CB ARG A 49 5.708 -4.123 6.818 1.00 0.00 C ATOM 733 CG ARG A 49 5.162 -3.945 8.252 1.00 0.00 C ATOM 734 CD ARG A 49 6.091 -3.116 9.155 1.00 0.00 C ATOM 735 NE ARG A 49 7.468 -3.660 9.198 1.00 0.00 N ATOM 736 CZ ARG A 49 8.069 -4.188 10.277 1.00 0.00 C ATOM 737 NH1 ARG A 49 7.423 -4.330 11.430 1.00 0.00 N ATOM 738 NH2 ARG A 49 9.324 -4.595 10.182 1.00 0.00 N ATOM 0 H ARG A 49 5.249 -6.844 6.522 1.00 0.00 H new ATOM 0 HA ARG A 49 3.850 -4.338 5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.669 -4.634 6.869 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.892 -3.139 6.387 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.186 -3.462 8.205 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.011 -4.927 8.701 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.120 -2.088 8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.682 -3.089 10.165 1.00 0.00 H new ATOM 0 HE ARG A 49 8.007 -3.631 8.333 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.450 -4.035 11.509 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.901 -4.734 12.236 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.823 -4.506 9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.792 -4.998 10.994 1.00 0.00 H new ATOM 752 N GLY A 50 5.375 -4.095 3.662 1.00 0.00 N ATOM 753 CA GLY A 50 5.987 -4.115 2.339 1.00 0.00 C ATOM 754 C GLY A 50 6.242 -2.712 1.828 1.00 0.00 C ATOM 755 O GLY A 50 5.544 -1.771 2.219 1.00 0.00 O ATOM 0 H GLY A 50 4.899 -3.220 3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.927 -4.666 2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.336 -4.645 1.643 1.00 0.00 H new ATOM 759 N TRP A 51 7.232 -2.578 0.937 1.00 0.00 N ATOM 760 CA TRP A 51 7.600 -1.297 0.314 1.00 0.00 C ATOM 761 C TRP A 51 7.228 -1.360 -1.172 1.00 0.00 C ATOM 762 O TRP A 51 7.604 -2.302 -1.885 1.00 0.00 O ATOM 763 CB TRP A 51 9.112 -0.990 0.536 1.00 0.00 C ATOM 764 CG TRP A 51 10.091 -2.049 0.034 1.00 0.00 C ATOM 765 CD1 TRP A 51 10.199 -3.349 0.454 1.00 0.00 C ATOM 766 CD2 TRP A 51 11.120 -1.875 -0.952 1.00 0.00 C ATOM 767 NE1 TRP A 51 11.208 -3.984 -0.224 1.00 0.00 N ATOM 768 CE2 TRP A 51 11.789 -3.104 -1.089 1.00 0.00 C ATOM 769 CE3 TRP A 51 11.525 -0.798 -1.737 1.00 0.00 C ATOM 770 CZ2 TRP A 51 12.847 -3.283 -1.977 1.00 0.00 C ATOM 771 CZ3 TRP A 51 12.574 -0.973 -2.619 1.00 0.00 C ATOM 772 CH2 TRP A 51 13.228 -2.208 -2.731 1.00 0.00 C ATOM 0 H TRP A 51 7.806 -3.361 0.624 1.00 0.00 H new ATOM 0 HA TRP A 51 7.052 -0.476 0.777 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.346 -0.045 0.045 1.00 0.00 H new ATOM 0 HB3 TRP A 51 9.280 -0.845 1.603 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.579 -3.807 1.210 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.481 -4.959 -0.101 1.00 0.00 H new ATOM 0 HE3 TRP A 51 11.028 0.157 -1.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 13.348 -4.236 -2.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 12.896 -0.144 -3.233 1.00 0.00 H new ATOM 0 HH2 TRP A 51 14.048 -2.312 -3.426 1.00 0.00 H new ATOM 783 N PHE A 52 6.459 -0.359 -1.619 1.00 0.00 N ATOM 784 CA PHE A 52 5.869 -0.315 -2.973 1.00 0.00 C ATOM 785 C PHE A 52 5.993 1.111 -3.536 1.00 0.00 C ATOM 786 O PHE A 52 5.939 2.075 -2.758 1.00 0.00 O ATOM 787 CB PHE A 52 4.359 -0.747 -2.946 1.00 0.00 C ATOM 788 CG PHE A 52 4.115 -2.198 -2.519 1.00 0.00 C ATOM 789 CD1 PHE A 52 3.953 -2.532 -1.172 1.00 0.00 C ATOM 790 CD2 PHE A 52 4.062 -3.225 -3.461 1.00 0.00 C ATOM 791 CE1 PHE A 52 3.744 -3.842 -0.786 1.00 0.00 C ATOM 792 CE2 PHE A 52 3.853 -4.539 -3.071 1.00 0.00 C ATOM 793 CZ PHE A 52 3.698 -4.846 -1.732 1.00 0.00 C ATOM 0 H PHE A 52 6.224 0.454 -1.049 1.00 0.00 H new ATOM 0 HA PHE A 52 6.410 -1.014 -3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.819 -0.087 -2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.935 -0.599 -3.939 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.992 -1.756 -0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.185 -2.994 -4.509 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.616 -4.081 0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.811 -5.323 -3.813 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.541 -5.870 -1.427 1.00 0.00 H new ATOM 803 N PRO A 53 6.148 1.275 -4.897 1.00 0.00 N ATOM 804 CA PRO A 53 6.248 2.608 -5.525 1.00 0.00 C ATOM 805 C PRO A 53 4.900 3.358 -5.463 1.00 0.00 C ATOM 806 O PRO A 53 3.829 2.743 -5.607 1.00 0.00 O ATOM 807 CB PRO A 53 6.670 2.295 -6.990 1.00 0.00 C ATOM 808 CG PRO A 53 6.155 0.914 -7.251 1.00 0.00 C ATOM 809 CD PRO A 53 6.202 0.184 -5.919 1.00 0.00 C ATOM 0 HA PRO A 53 6.958 3.263 -5.020 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.242 3.015 -7.687 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.753 2.342 -7.108 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.138 0.945 -7.642 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.767 0.405 -7.996 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.362 -0.503 -5.812 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.112 -0.408 -5.822 1.00 0.00 H new ATOM 817 N ALA A 54 4.976 4.685 -5.251 1.00 0.00 N ATOM 818 CA ALA A 54 3.804 5.586 -5.232 1.00 0.00 C ATOM 819 C ALA A 54 3.091 5.584 -6.599 1.00 0.00 C ATOM 820 O ALA A 54 1.906 5.905 -6.693 1.00 0.00 O ATOM 821 CB ALA A 54 4.233 7.013 -4.837 1.00 0.00 C ATOM 0 H ALA A 54 5.859 5.168 -5.086 1.00 0.00 H new ATOM 0 HA ALA A 54 3.098 5.221 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.360 7.666 -4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.685 6.996 -3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.958 7.388 -5.559 1.00 0.00 H new ATOM 827 N SER A 55 3.853 5.214 -7.647 1.00 0.00 N ATOM 828 CA SER A 55 3.355 5.065 -9.018 1.00 0.00 C ATOM 829 C SER A 55 2.320 3.922 -9.127 1.00 0.00 C ATOM 830 O SER A 55 1.312 4.063 -9.821 1.00 0.00 O ATOM 831 CB SER A 55 4.539 4.790 -9.966 1.00 0.00 C ATOM 832 OG SER A 55 5.556 5.764 -9.811 1.00 0.00 O ATOM 0 H SER A 55 4.848 5.008 -7.557 1.00 0.00 H new ATOM 0 HA SER A 55 2.857 5.992 -9.302 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.947 3.799 -9.765 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.189 4.787 -10.998 1.00 0.00 H new ATOM 0 HG SER A 55 6.296 5.565 -10.422 1.00 0.00 H new ATOM 838 N TYR A 56 2.576 2.801 -8.420 1.00 0.00 N ATOM 839 CA TYR A 56 1.745 1.574 -8.525 1.00 0.00 C ATOM 840 C TYR A 56 0.392 1.759 -7.805 1.00 0.00 C ATOM 841 O TYR A 56 -0.636 1.203 -8.214 1.00 0.00 O ATOM 842 CB TYR A 56 2.509 0.357 -7.936 1.00 0.00 C ATOM 843 CG TYR A 56 1.991 -0.995 -8.447 1.00 0.00 C ATOM 844 CD1 TYR A 56 2.394 -1.474 -9.695 1.00 0.00 C ATOM 845 CD2 TYR A 56 1.087 -1.773 -7.714 1.00 0.00 C ATOM 846 CE1 TYR A 56 1.923 -2.676 -10.193 1.00 0.00 C ATOM 847 CE2 TYR A 56 0.610 -2.976 -8.212 1.00 0.00 C ATOM 848 CZ TYR A 56 1.031 -3.422 -9.453 1.00 0.00 C ATOM 849 OH TYR A 56 0.560 -4.618 -9.955 1.00 0.00 O ATOM 0 H TYR A 56 3.354 2.717 -7.766 1.00 0.00 H new ATOM 0 HA TYR A 56 1.544 1.387 -9.580 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.567 0.448 -8.182 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.431 0.380 -6.849 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.088 -0.894 -10.284 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.756 -1.431 -6.745 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.253 -3.029 -11.159 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.088 -3.563 -7.633 1.00 0.00 H new ATOM 0 HH TYR A 56 1.240 -5.020 -10.535 1.00 0.00 H new ATOM 859 N VAL A 57 0.429 2.546 -6.725 1.00 0.00 N ATOM 860 CA VAL A 57 -0.752 2.907 -5.917 1.00 0.00 C ATOM 861 C VAL A 57 -1.153 4.363 -6.240 1.00 0.00 C ATOM 862 O VAL A 57 -0.657 4.934 -7.218 1.00 0.00 O ATOM 863 CB VAL A 57 -0.440 2.724 -4.377 1.00 0.00 C ATOM 864 CG1 VAL A 57 -0.190 1.229 -4.031 1.00 0.00 C ATOM 865 CG2 VAL A 57 0.757 3.614 -3.932 1.00 0.00 C ATOM 0 H VAL A 57 1.294 2.960 -6.377 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.586 2.249 -6.162 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.317 3.052 -3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.022 1.133 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.076 0.645 -4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.660 0.860 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.946 3.465 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.646 3.339 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.519 4.662 -4.115 1.00 0.00 H new ATOM 875 N GLN A 58 -2.064 4.953 -5.450 1.00 0.00 N ATOM 876 CA GLN A 58 -2.491 6.351 -5.633 1.00 0.00 C ATOM 877 C GLN A 58 -2.683 7.030 -4.272 1.00 0.00 C ATOM 878 O GLN A 58 -3.351 6.479 -3.396 1.00 0.00 O ATOM 879 CB GLN A 58 -3.794 6.401 -6.473 1.00 0.00 C ATOM 880 CG GLN A 58 -4.321 7.822 -6.761 1.00 0.00 C ATOM 881 CD GLN A 58 -5.493 7.852 -7.741 1.00 0.00 C ATOM 882 OE1 GLN A 58 -6.273 6.910 -7.835 1.00 0.00 O ATOM 883 NE2 GLN A 58 -5.619 8.930 -8.492 1.00 0.00 N ATOM 0 H GLN A 58 -2.523 4.479 -4.672 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.716 6.895 -6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.618 5.894 -7.422 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.569 5.840 -5.951 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.631 8.283 -5.823 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.508 8.428 -7.161 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.957 9.700 -8.394 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.378 8.993 -9.170 1.00 0.00 H new ATOM 892 N LEU A 59 -2.095 8.228 -4.114 1.00 0.00 N ATOM 893 CA LEU A 59 -2.149 9.005 -2.865 1.00 0.00 C ATOM 894 C LEU A 59 -3.550 9.590 -2.624 1.00 0.00 C ATOM 895 O LEU A 59 -4.231 10.027 -3.566 1.00 0.00 O ATOM 896 CB LEU A 59 -1.080 10.135 -2.889 1.00 0.00 C ATOM 897 CG LEU A 59 0.405 9.651 -2.897 1.00 0.00 C ATOM 898 CD1 LEU A 59 1.384 10.844 -3.011 1.00 0.00 C ATOM 899 CD2 LEU A 59 0.708 8.777 -1.655 1.00 0.00 C ATOM 0 H LEU A 59 -1.565 8.687 -4.855 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.930 8.329 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.248 10.752 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.232 10.774 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 59 0.552 9.029 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.409 10.474 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.191 11.386 -3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.242 11.513 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.748 8.452 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.534 9.359 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.055 7.904 -1.656 1.00 0.00 H new ATOM 911 N LEU A 60 -3.960 9.586 -1.351 1.00 0.00 N ATOM 912 CA LEU A 60 -5.262 10.096 -0.903 1.00 0.00 C ATOM 913 C LEU A 60 -5.135 11.582 -0.509 1.00 0.00 C ATOM 914 O LEU A 60 -4.536 11.877 0.541 1.00 0.00 O ATOM 915 CB LEU A 60 -5.772 9.226 0.278 1.00 0.00 C ATOM 916 CG LEU A 60 -6.059 7.738 -0.079 1.00 0.00 C ATOM 917 CD1 LEU A 60 -6.473 6.919 1.158 1.00 0.00 C ATOM 918 CD2 LEU A 60 -7.112 7.642 -1.201 1.00 0.00 C ATOM 919 OXT LEU A 60 -5.616 12.450 -1.262 1.00 0.00 O ATOM 0 H LEU A 60 -3.387 9.222 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.991 10.033 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.032 9.256 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.685 9.673 0.671 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.131 7.301 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.664 5.887 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.671 6.944 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.378 7.346 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.299 6.594 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.039 8.111 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.744 8.153 -2.090 1.00 0.00 H new