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= -5.05! USER MOD Single : A 8 THR OG1 : rot 140:sc= 0.875 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 43:sc= 0.193 USER MOD Single : A 17 HIS : no HD1:sc= -0.059 X(o=-0.059,f=-0.21) USER MOD Single : A 19 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.051) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.0075) USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 1.03 (180deg=1.01) USER MOD Single : A 55 SER OG : rot 66:sc= 0.0953 USER MOD Single : A 56 TYR OH : rot -113:sc= 0.387 USER MOD Single : A 58 GLN : amide:sc= 0.00176 X(o=0.0018,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 3 -1.662 11.010 9.264 1.00 0.00 N ATOM 32 CA GLY A 3 -1.878 9.784 8.500 1.00 0.00 C ATOM 33 C GLY A 3 -1.882 10.019 6.996 1.00 0.00 C ATOM 34 O GLY A 3 -2.946 10.233 6.403 1.00 0.00 O ATOM 0 HA2 GLY A 3 -1.098 9.064 8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.828 9.339 8.796 1.00 0.00 H new ATOM 38 N ALA A 4 -0.681 10.031 6.390 1.00 0.00 N ATOM 39 CA ALA A 4 -0.509 10.065 4.926 1.00 0.00 C ATOM 40 C ALA A 4 -0.954 8.715 4.336 1.00 0.00 C ATOM 41 O ALA A 4 -0.207 7.736 4.378 1.00 0.00 O ATOM 42 CB ALA A 4 0.955 10.381 4.551 1.00 0.00 C ATOM 0 H ALA A 4 0.200 10.017 6.903 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.128 10.859 4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.057 10.401 3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.234 11.353 4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.610 9.613 4.963 1.00 0.00 H new ATOM 48 N ARG A 5 -2.200 8.666 3.851 1.00 0.00 N ATOM 49 CA ARG A 5 -2.810 7.449 3.302 1.00 0.00 C ATOM 50 C ARG A 5 -2.645 7.404 1.775 1.00 0.00 C ATOM 51 O ARG A 5 -2.593 8.440 1.101 1.00 0.00 O ATOM 52 CB ARG A 5 -4.309 7.384 3.678 1.00 0.00 C ATOM 53 CG ARG A 5 -4.610 7.289 5.194 1.00 0.00 C ATOM 54 CD ARG A 5 -6.119 7.294 5.487 1.00 0.00 C ATOM 55 NE ARG A 5 -6.409 7.119 6.927 1.00 0.00 N ATOM 56 CZ ARG A 5 -7.631 6.977 7.460 1.00 0.00 C ATOM 57 NH1 ARG A 5 -8.716 7.016 6.696 1.00 0.00 N ATOM 58 NH2 ARG A 5 -7.760 6.790 8.762 1.00 0.00 N ATOM 0 H ARG A 5 -2.819 9.477 3.828 1.00 0.00 H new ATOM 0 HA ARG A 5 -2.302 6.586 3.731 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.804 8.270 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.754 6.521 3.182 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.167 6.377 5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.139 8.126 5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.551 8.234 5.143 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.600 6.496 4.922 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.615 7.105 7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.626 7.155 5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.639 6.906 7.115 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.932 6.754 9.357 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -8.688 6.681 9.172 1.00 0.00 H new ATOM 72 N CYS A 6 -2.559 6.180 1.258 1.00 0.00 N ATOM 73 CA CYS A 6 -2.529 5.880 -0.176 1.00 0.00 C ATOM 74 C CYS A 6 -3.591 4.817 -0.448 1.00 0.00 C ATOM 75 O CYS A 6 -3.798 3.932 0.382 1.00 0.00 O ATOM 76 CB CYS A 6 -1.135 5.350 -0.580 1.00 0.00 C ATOM 77 SG CYS A 6 0.222 6.420 -0.085 1.00 0.00 S ATOM 0 H CYS A 6 -2.507 5.344 1.840 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.730 6.780 -0.757 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.989 4.365 -0.136 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.106 5.220 -1.662 1.00 0.00 H new ATOM 0 HG CYS A 6 1.323 6.010 -0.641 1.00 0.00 H new ATOM 83 N ARG A 7 -4.257 4.898 -1.596 1.00 0.00 N ATOM 84 CA ARG A 7 -5.250 3.898 -1.997 1.00 0.00 C ATOM 85 C ARG A 7 -4.647 3.028 -3.097 1.00 0.00 C ATOM 86 O ARG A 7 -4.130 3.551 -4.091 1.00 0.00 O ATOM 87 CB ARG A 7 -6.553 4.581 -2.488 1.00 0.00 C ATOM 88 CG ARG A 7 -7.720 3.594 -2.701 1.00 0.00 C ATOM 89 CD ARG A 7 -9.053 4.277 -3.063 1.00 0.00 C ATOM 90 NE ARG A 7 -10.185 3.346 -2.897 1.00 0.00 N ATOM 91 CZ ARG A 7 -11.345 3.392 -3.562 1.00 0.00 C ATOM 92 NH1 ARG A 7 -11.562 4.299 -4.508 1.00 0.00 N ATOM 93 NH2 ARG A 7 -12.294 2.514 -3.273 1.00 0.00 N ATOM 0 H ARG A 7 -4.128 5.651 -2.272 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.511 3.277 -1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.854 5.337 -1.762 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.351 5.101 -3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.453 2.896 -3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.858 3.007 -1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.201 5.152 -2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.017 4.631 -4.093 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.073 2.598 -2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.837 4.978 -4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -12.454 4.316 -5.003 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -12.136 1.812 -2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -13.182 2.540 -3.774 1.00 0.00 H new ATOM 107 N THR A 8 -4.703 1.705 -2.892 1.00 0.00 N ATOM 108 CA THR A 8 -4.206 0.721 -3.848 1.00 0.00 C ATOM 109 C THR A 8 -5.098 0.722 -5.097 1.00 0.00 C ATOM 110 O THR A 8 -6.327 0.630 -4.985 1.00 0.00 O ATOM 111 CB THR A 8 -4.157 -0.697 -3.189 1.00 0.00 C ATOM 112 OG1 THR A 8 -5.466 -1.067 -2.725 1.00 0.00 O ATOM 113 CG2 THR A 8 -3.165 -0.746 -2.005 1.00 0.00 C ATOM 0 H THR A 8 -5.099 1.290 -2.049 1.00 0.00 H new ATOM 0 HA THR A 8 -3.192 0.985 -4.147 1.00 0.00 H new ATOM 0 HB THR A 8 -3.815 -1.400 -3.949 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.626 -2.015 -2.917 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.161 -1.748 -1.575 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.164 -0.499 -2.359 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.470 -0.026 -1.245 1.00 0.00 H new ATOM 121 N LEU A 9 -4.470 0.870 -6.277 1.00 0.00 N ATOM 122 CA LEU A 9 -5.186 0.951 -7.555 1.00 0.00 C ATOM 123 C LEU A 9 -5.794 -0.417 -7.904 1.00 0.00 C ATOM 124 O LEU A 9 -6.993 -0.625 -7.719 1.00 0.00 O ATOM 125 CB LEU A 9 -4.228 1.451 -8.677 1.00 0.00 C ATOM 126 CG LEU A 9 -3.646 2.887 -8.482 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.602 3.230 -9.572 1.00 0.00 C ATOM 128 CD2 LEU A 9 -4.780 3.937 -8.418 1.00 0.00 C ATOM 0 H LEU A 9 -3.456 0.936 -6.368 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.001 1.670 -7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.397 0.750 -8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.764 1.422 -9.626 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.123 2.910 -7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.219 4.237 -9.405 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.780 2.516 -9.526 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.072 3.179 -10.554 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.350 4.929 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.351 3.913 -9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.440 3.710 -7.581 1.00 0.00 H new ATOM 140 N TYR A 10 -4.947 -1.365 -8.363 1.00 0.00 N ATOM 141 CA TYR A 10 -5.383 -2.714 -8.802 1.00 0.00 C ATOM 142 C TYR A 10 -4.232 -3.715 -8.570 1.00 0.00 C ATOM 143 O TYR A 10 -3.067 -3.373 -8.834 1.00 0.00 O ATOM 144 CB TYR A 10 -5.800 -2.732 -10.316 1.00 0.00 C ATOM 145 CG TYR A 10 -7.004 -1.843 -10.649 1.00 0.00 C ATOM 146 CD1 TYR A 10 -8.310 -2.275 -10.393 1.00 0.00 C ATOM 147 CD2 TYR A 10 -6.836 -0.557 -11.173 1.00 0.00 C ATOM 148 CE1 TYR A 10 -9.393 -1.456 -10.639 1.00 0.00 C ATOM 149 CE2 TYR A 10 -7.919 0.260 -11.423 1.00 0.00 C ATOM 150 CZ TYR A 10 -9.193 -0.194 -11.158 1.00 0.00 C ATOM 151 OH TYR A 10 -10.274 0.623 -11.398 1.00 0.00 O ATOM 0 H TYR A 10 -3.941 -1.218 -8.440 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.258 -2.995 -8.217 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.950 -2.413 -10.919 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.029 -3.758 -10.606 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.473 -3.266 -9.996 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.840 -0.197 -11.386 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.394 -1.802 -10.426 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.769 1.251 -11.825 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.963 1.478 -11.762 1.00 0.00 H new ATOM 161 N PRO A 11 -4.524 -4.955 -8.055 1.00 0.00 N ATOM 162 CA PRO A 11 -3.498 -6.005 -7.902 1.00 0.00 C ATOM 163 C PRO A 11 -3.044 -6.566 -9.269 1.00 0.00 C ATOM 164 O PRO A 11 -3.707 -7.437 -9.856 1.00 0.00 O ATOM 165 CB PRO A 11 -4.201 -7.077 -7.030 1.00 0.00 C ATOM 166 CG PRO A 11 -5.663 -6.893 -7.321 1.00 0.00 C ATOM 167 CD PRO A 11 -5.854 -5.411 -7.563 1.00 0.00 C ATOM 0 HA PRO A 11 -2.580 -5.637 -7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.867 -8.082 -7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.985 -6.933 -5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.964 -7.473 -8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.274 -7.234 -6.485 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.637 -5.224 -8.297 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.142 -4.891 -6.650 1.00 0.00 H new ATOM 175 N PHE A 12 -1.933 -6.013 -9.788 1.00 0.00 N ATOM 176 CA PHE A 12 -1.313 -6.490 -11.036 1.00 0.00 C ATOM 177 C PHE A 12 -0.257 -7.553 -10.683 1.00 0.00 C ATOM 178 O PHE A 12 0.823 -7.224 -10.179 1.00 0.00 O ATOM 179 CB PHE A 12 -0.670 -5.322 -11.830 1.00 0.00 C ATOM 180 CG PHE A 12 -1.640 -4.207 -12.225 1.00 0.00 C ATOM 181 CD1 PHE A 12 -2.729 -4.471 -13.061 1.00 0.00 C ATOM 182 CD2 PHE A 12 -1.466 -2.895 -11.771 1.00 0.00 C ATOM 183 CE1 PHE A 12 -3.603 -3.462 -13.432 1.00 0.00 C ATOM 184 CE2 PHE A 12 -2.338 -1.888 -12.144 1.00 0.00 C ATOM 185 CZ PHE A 12 -3.409 -2.174 -12.972 1.00 0.00 C ATOM 0 H PHE A 12 -1.443 -5.229 -9.357 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.081 -6.926 -11.675 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.132 -4.892 -11.231 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.212 -5.724 -12.734 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.891 -5.476 -13.423 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.637 -2.665 -11.118 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.437 -3.683 -14.082 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.183 -0.880 -11.789 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.094 -1.390 -13.259 1.00 0.00 H new ATOM 195 N SER A 13 -0.618 -8.827 -10.898 1.00 0.00 N ATOM 196 CA SER A 13 0.263 -9.975 -10.651 1.00 0.00 C ATOM 197 C SER A 13 0.863 -10.446 -11.989 1.00 0.00 C ATOM 198 O SER A 13 0.187 -11.096 -12.795 1.00 0.00 O ATOM 199 CB SER A 13 -0.529 -11.099 -9.941 1.00 0.00 C ATOM 200 OG SER A 13 -1.740 -11.397 -10.620 1.00 0.00 O ATOM 0 H SER A 13 -1.538 -9.090 -11.251 1.00 0.00 H new ATOM 0 HA SER A 13 1.084 -9.691 -9.993 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.086 -11.997 -9.883 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.750 -10.797 -8.917 1.00 0.00 H new ATOM 0 HG SER A 13 -1.575 -11.427 -11.585 1.00 0.00 H new ATOM 206 N GLY A 14 2.121 -10.054 -12.232 1.00 0.00 N ATOM 207 CA GLY A 14 2.865 -10.448 -13.434 1.00 0.00 C ATOM 208 C GLY A 14 4.374 -10.396 -13.226 1.00 0.00 C ATOM 209 O GLY A 14 5.141 -10.355 -14.190 1.00 0.00 O ATOM 0 H GLY A 14 2.651 -9.454 -11.600 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.575 -11.458 -13.722 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.592 -9.790 -14.259 1.00 0.00 H new ATOM 213 N GLU A 15 4.794 -10.389 -11.948 1.00 0.00 N ATOM 214 CA GLU A 15 6.218 -10.400 -11.544 1.00 0.00 C ATOM 215 C GLU A 15 6.530 -11.690 -10.772 1.00 0.00 C ATOM 216 O GLU A 15 5.614 -12.362 -10.279 1.00 0.00 O ATOM 217 CB GLU A 15 6.533 -9.166 -10.644 1.00 0.00 C ATOM 218 CG GLU A 15 6.325 -7.804 -11.331 1.00 0.00 C ATOM 219 CD GLU A 15 6.456 -6.613 -10.368 1.00 0.00 C ATOM 220 OE1 GLU A 15 5.581 -6.462 -9.481 1.00 0.00 O ATOM 221 OE2 GLU A 15 7.421 -5.825 -10.490 1.00 0.00 O ATOM 0 H GLU A 15 4.151 -10.375 -11.157 1.00 0.00 H new ATOM 0 HA GLU A 15 6.836 -10.354 -12.440 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.903 -9.210 -9.755 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.567 -9.234 -10.306 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.053 -7.695 -12.135 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.337 -7.784 -11.791 1.00 0.00 H new ATOM 228 N ARG A 16 7.829 -12.006 -10.639 1.00 0.00 N ATOM 229 CA ARG A 16 8.291 -13.174 -9.864 1.00 0.00 C ATOM 230 C ARG A 16 8.068 -12.931 -8.357 1.00 0.00 C ATOM 231 O ARG A 16 7.899 -11.781 -7.917 1.00 0.00 O ATOM 232 CB ARG A 16 9.794 -13.496 -10.144 1.00 0.00 C ATOM 233 CG ARG A 16 10.123 -14.031 -11.563 1.00 0.00 C ATOM 234 CD ARG A 16 10.074 -12.956 -12.663 1.00 0.00 C ATOM 235 NE ARG A 16 10.372 -13.516 -13.991 1.00 0.00 N ATOM 236 CZ ARG A 16 10.291 -12.854 -15.155 1.00 0.00 C ATOM 237 NH1 ARG A 16 9.961 -11.567 -15.193 1.00 0.00 N ATOM 238 NH2 ARG A 16 10.562 -13.489 -16.284 1.00 0.00 N ATOM 0 H ARG A 16 8.584 -11.465 -11.061 1.00 0.00 H new ATOM 0 HA ARG A 16 7.705 -14.037 -10.181 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.376 -12.590 -9.975 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.129 -14.232 -9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.117 -14.478 -11.550 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.419 -14.825 -11.813 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.086 -12.495 -12.677 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.790 -12.168 -12.432 1.00 0.00 H new ATOM 0 HE ARG A 16 10.666 -14.492 -14.030 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.764 -11.065 -14.327 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.905 -11.081 -16.088 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.830 -14.473 -16.264 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.503 -12.994 -17.174 1.00 0.00 H new ATOM 252 N HIS A 17 8.076 -14.023 -7.578 1.00 0.00 N ATOM 253 CA HIS A 17 7.868 -13.980 -6.114 1.00 0.00 C ATOM 254 C HIS A 17 9.096 -13.367 -5.388 1.00 0.00 C ATOM 255 O HIS A 17 10.097 -13.003 -6.025 1.00 0.00 O ATOM 256 CB HIS A 17 7.537 -15.410 -5.584 1.00 0.00 C ATOM 257 CG HIS A 17 8.586 -16.452 -5.892 1.00 0.00 C ATOM 258 ND1 HIS A 17 9.717 -16.571 -5.123 1.00 0.00 N ATOM 259 CD2 HIS A 17 8.633 -17.380 -6.886 1.00 0.00 C ATOM 260 CE1 HIS A 17 10.419 -17.555 -5.654 1.00 0.00 C ATOM 261 NE2 HIS A 17 9.806 -18.074 -6.722 1.00 0.00 N ATOM 0 H HIS A 17 8.227 -14.964 -7.941 1.00 0.00 H new ATOM 0 HA HIS A 17 7.019 -13.331 -5.899 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.399 -15.360 -4.504 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.588 -15.731 -6.012 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.891 -17.540 -7.655 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.370 -17.898 -5.273 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.145 -18.840 -7.304 1.00 0.00 H new ATOM 269 N GLY A 18 9.005 -13.257 -4.053 1.00 0.00 N ATOM 270 CA GLY A 18 10.023 -12.600 -3.228 1.00 0.00 C ATOM 271 C GLY A 18 9.507 -11.270 -2.708 1.00 0.00 C ATOM 272 O GLY A 18 9.646 -10.247 -3.385 1.00 0.00 O ATOM 0 H GLY A 18 8.219 -13.624 -3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.293 -13.244 -2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.928 -12.442 -3.814 1.00 0.00 H new ATOM 276 N GLN A 19 8.865 -11.313 -1.519 1.00 0.00 N ATOM 277 CA GLN A 19 8.218 -10.151 -0.862 1.00 0.00 C ATOM 278 C GLN A 19 7.097 -9.610 -1.791 1.00 0.00 C ATOM 279 O GLN A 19 7.136 -8.466 -2.264 1.00 0.00 O ATOM 280 CB GLN A 19 9.270 -9.058 -0.429 1.00 0.00 C ATOM 281 CG GLN A 19 8.881 -8.152 0.779 1.00 0.00 C ATOM 282 CD GLN A 19 7.730 -7.169 0.517 1.00 0.00 C ATOM 283 OE1 GLN A 19 7.951 -6.048 0.059 1.00 0.00 O ATOM 284 NE2 GLN A 19 6.502 -7.583 0.808 1.00 0.00 N ATOM 0 H GLN A 19 8.779 -12.173 -0.977 1.00 0.00 H new ATOM 0 HA GLN A 19 7.753 -10.465 0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.206 -9.563 -0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.466 -8.415 -1.287 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.607 -8.791 1.618 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.760 -7.584 1.084 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.356 -8.519 1.186 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.705 -6.965 0.653 1.00 0.00 H new ATOM 293 N GLY A 20 6.138 -10.500 -2.096 1.00 0.00 N ATOM 294 CA GLY A 20 4.956 -10.167 -2.886 1.00 0.00 C ATOM 295 C GLY A 20 3.749 -10.026 -1.975 1.00 0.00 C ATOM 296 O GLY A 20 3.178 -11.039 -1.539 1.00 0.00 O ATOM 0 H GLY A 20 6.168 -11.475 -1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.122 -9.238 -3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.773 -10.944 -3.629 1.00 0.00 H new ATOM 300 N LEU A 21 3.389 -8.780 -1.646 1.00 0.00 N ATOM 301 CA LEU A 21 2.272 -8.479 -0.736 1.00 0.00 C ATOM 302 C LEU A 21 0.968 -8.376 -1.546 1.00 0.00 C ATOM 303 O LEU A 21 0.916 -7.654 -2.549 1.00 0.00 O ATOM 304 CB LEU A 21 2.543 -7.141 0.016 1.00 0.00 C ATOM 305 CG LEU A 21 1.501 -6.749 1.116 1.00 0.00 C ATOM 306 CD1 LEU A 21 1.556 -7.719 2.324 1.00 0.00 C ATOM 307 CD2 LEU A 21 1.671 -5.272 1.553 1.00 0.00 C ATOM 0 H LEU A 21 3.863 -7.950 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 21 2.177 -9.279 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.527 -7.201 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.586 -6.337 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 21 0.508 -6.843 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.819 -7.416 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.336 -8.732 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.551 -7.692 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.932 -5.032 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.673 -5.125 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.528 -4.619 0.692 1.00 0.00 H new ATOM 319 N ARG A 22 -0.066 -9.125 -1.121 1.00 0.00 N ATOM 320 CA ARG A 22 -1.395 -9.095 -1.757 1.00 0.00 C ATOM 321 C ARG A 22 -2.161 -7.847 -1.282 1.00 0.00 C ATOM 322 O ARG A 22 -2.341 -7.647 -0.078 1.00 0.00 O ATOM 323 CB ARG A 22 -2.205 -10.375 -1.418 1.00 0.00 C ATOM 324 CG ARG A 22 -3.603 -10.438 -2.084 1.00 0.00 C ATOM 325 CD ARG A 22 -4.408 -11.683 -1.680 1.00 0.00 C ATOM 326 NE ARG A 22 -5.727 -11.727 -2.349 1.00 0.00 N ATOM 327 CZ ARG A 22 -6.916 -11.608 -1.743 1.00 0.00 C ATOM 328 NH1 ARG A 22 -7.005 -11.425 -0.428 1.00 0.00 N ATOM 329 NH2 ARG A 22 -8.024 -11.688 -2.465 1.00 0.00 N ATOM 0 H ARG A 22 -0.004 -9.766 -0.330 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.262 -9.056 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.629 -11.248 -1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.327 -10.438 -0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.167 -9.545 -1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.484 -10.426 -3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.842 -12.579 -1.933 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.549 -11.690 -0.599 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.731 -11.860 -3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.158 -11.373 0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.920 -11.337 0.014 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.967 -11.839 -3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.934 -11.599 -2.014 1.00 0.00 H new ATOM 343 N PHE A 23 -2.586 -7.012 -2.243 1.00 0.00 N ATOM 344 CA PHE A 23 -3.375 -5.798 -1.989 1.00 0.00 C ATOM 345 C PHE A 23 -4.614 -5.800 -2.900 1.00 0.00 C ATOM 346 O PHE A 23 -4.497 -5.771 -4.126 1.00 0.00 O ATOM 347 CB PHE A 23 -2.496 -4.519 -2.192 1.00 0.00 C ATOM 348 CG PHE A 23 -1.792 -4.398 -3.558 1.00 0.00 C ATOM 349 CD1 PHE A 23 -0.616 -5.106 -3.830 1.00 0.00 C ATOM 350 CD2 PHE A 23 -2.306 -3.581 -4.574 1.00 0.00 C ATOM 351 CE1 PHE A 23 0.015 -5.001 -5.060 1.00 0.00 C ATOM 352 CE2 PHE A 23 -1.672 -3.479 -5.800 1.00 0.00 C ATOM 353 CZ PHE A 23 -0.514 -4.190 -6.041 1.00 0.00 C ATOM 0 H PHE A 23 -2.388 -7.164 -3.232 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.714 -5.786 -0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.127 -3.641 -2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.737 -4.495 -1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.193 -5.745 -3.069 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.213 -3.021 -4.397 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.922 -5.555 -5.250 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.084 -2.842 -6.569 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.022 -4.111 -6.999 1.00 0.00 H new ATOM 363 N ALA A 24 -5.801 -5.901 -2.282 1.00 0.00 N ATOM 364 CA ALA A 24 -7.089 -5.814 -2.982 1.00 0.00 C ATOM 365 C ALA A 24 -7.332 -4.367 -3.457 1.00 0.00 C ATOM 366 O ALA A 24 -6.964 -3.411 -2.758 1.00 0.00 O ATOM 367 CB ALA A 24 -8.228 -6.294 -2.063 1.00 0.00 C ATOM 0 H ALA A 24 -5.893 -6.046 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.066 -6.463 -3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.178 -6.225 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.049 -7.329 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.264 -5.668 -1.171 1.00 0.00 H new ATOM 373 N ALA A 25 -7.952 -4.232 -4.642 1.00 0.00 N ATOM 374 CA ALA A 25 -8.196 -2.932 -5.293 1.00 0.00 C ATOM 375 C ALA A 25 -9.087 -2.019 -4.422 1.00 0.00 C ATOM 376 O ALA A 25 -10.276 -2.311 -4.209 1.00 0.00 O ATOM 377 CB ALA A 25 -8.849 -3.160 -6.670 1.00 0.00 C ATOM 0 H ALA A 25 -8.300 -5.026 -5.179 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.238 -2.429 -5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.029 -2.199 -7.151 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.185 -3.759 -7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.796 -3.684 -6.541 1.00 0.00 H new ATOM 383 N GLY A 26 -8.483 -0.935 -3.897 1.00 0.00 N ATOM 384 CA GLY A 26 -9.210 0.103 -3.161 1.00 0.00 C ATOM 385 C GLY A 26 -8.866 0.195 -1.675 1.00 0.00 C ATOM 386 O GLY A 26 -9.469 1.012 -0.967 1.00 0.00 O ATOM 0 H GLY A 26 -7.481 -0.760 -3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.008 1.068 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.280 -0.082 -3.261 1.00 0.00 H new ATOM 390 N GLU A 27 -7.899 -0.607 -1.195 1.00 0.00 N ATOM 391 CA GLU A 27 -7.472 -0.576 0.226 1.00 0.00 C ATOM 392 C GLU A 27 -6.720 0.728 0.570 1.00 0.00 C ATOM 393 O GLU A 27 -5.764 1.108 -0.122 1.00 0.00 O ATOM 394 CB GLU A 27 -6.601 -1.807 0.590 1.00 0.00 C ATOM 395 CG GLU A 27 -7.378 -3.139 0.668 1.00 0.00 C ATOM 396 CD GLU A 27 -6.537 -4.270 1.277 1.00 0.00 C ATOM 397 OE1 GLU A 27 -6.308 -4.255 2.512 1.00 0.00 O ATOM 398 OE2 GLU A 27 -6.077 -5.159 0.537 1.00 0.00 O ATOM 0 H GLU A 27 -7.395 -1.286 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.382 -0.612 0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.807 -1.907 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.120 -1.625 1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.279 -2.997 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.701 -3.428 -0.332 1.00 0.00 H new ATOM 405 N LEU A 28 -7.186 1.411 1.637 1.00 0.00 N ATOM 406 CA LEU A 28 -6.539 2.622 2.176 1.00 0.00 C ATOM 407 C LEU A 28 -5.431 2.189 3.154 1.00 0.00 C ATOM 408 O LEU A 28 -5.721 1.770 4.284 1.00 0.00 O ATOM 409 CB LEU A 28 -7.584 3.524 2.905 1.00 0.00 C ATOM 410 CG LEU A 28 -8.872 3.888 2.094 1.00 0.00 C ATOM 411 CD1 LEU A 28 -9.859 4.711 2.950 1.00 0.00 C ATOM 412 CD2 LEU A 28 -8.531 4.605 0.770 1.00 0.00 C ATOM 0 H LEU A 28 -8.024 1.136 2.149 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.109 3.203 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.888 3.021 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.091 4.451 3.198 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.367 2.953 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.743 4.948 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.153 4.131 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.379 5.635 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.452 4.841 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.990 5.526 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.911 3.955 0.153 1.00 0.00 H new ATOM 424 N ILE A 29 -4.169 2.242 2.699 1.00 0.00 N ATOM 425 CA ILE A 29 -2.991 1.846 3.496 1.00 0.00 C ATOM 426 C ILE A 29 -2.202 3.105 3.906 1.00 0.00 C ATOM 427 O ILE A 29 -1.832 3.915 3.046 1.00 0.00 O ATOM 428 CB ILE A 29 -2.047 0.858 2.694 1.00 0.00 C ATOM 429 CG1 ILE A 29 -2.857 -0.345 2.088 1.00 0.00 C ATOM 430 CG2 ILE A 29 -0.884 0.359 3.594 1.00 0.00 C ATOM 431 CD1 ILE A 29 -3.581 -1.220 3.099 1.00 0.00 C ATOM 0 H ILE A 29 -3.933 2.563 1.760 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.344 1.321 4.384 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.615 1.410 1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.590 0.050 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.172 -0.971 1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.248 -0.318 3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.295 1.211 3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.292 -0.167 4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.108 -2.019 2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.857 -1.653 3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.297 -0.616 3.656 1.00 0.00 H new ATOM 443 N THR A 30 -1.957 3.258 5.215 1.00 0.00 N ATOM 444 CA THR A 30 -1.195 4.386 5.773 1.00 0.00 C ATOM 445 C THR A 30 0.322 4.127 5.648 1.00 0.00 C ATOM 446 O THR A 30 0.796 3.005 5.895 1.00 0.00 O ATOM 447 CB THR A 30 -1.581 4.626 7.278 1.00 0.00 C ATOM 448 OG1 THR A 30 -3.008 4.804 7.379 1.00 0.00 O ATOM 449 CG2 THR A 30 -0.868 5.860 7.884 1.00 0.00 C ATOM 0 H THR A 30 -2.284 2.599 5.921 1.00 0.00 H new ATOM 0 HA THR A 30 -1.446 5.281 5.204 1.00 0.00 H new ATOM 0 HB THR A 30 -1.258 3.752 7.843 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.254 4.952 8.316 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.170 5.980 8.924 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.211 5.718 7.833 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.143 6.752 7.321 1.00 0.00 H new ATOM 457 N LEU A 31 1.060 5.173 5.245 1.00 0.00 N ATOM 458 CA LEU A 31 2.528 5.150 5.144 1.00 0.00 C ATOM 459 C LEU A 31 3.144 5.270 6.544 1.00 0.00 C ATOM 460 O LEU A 31 2.766 6.161 7.311 1.00 0.00 O ATOM 461 CB LEU A 31 3.013 6.327 4.248 1.00 0.00 C ATOM 462 CG LEU A 31 2.385 6.398 2.818 1.00 0.00 C ATOM 463 CD1 LEU A 31 2.915 7.613 2.016 1.00 0.00 C ATOM 464 CD2 LEU A 31 2.592 5.073 2.063 1.00 0.00 C ATOM 0 H LEU A 31 0.650 6.068 4.977 1.00 0.00 H new ATOM 0 HA LEU A 31 2.843 4.208 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.800 7.263 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.096 6.258 4.146 1.00 0.00 H new ATOM 0 HG LEU A 31 1.311 6.547 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.454 7.626 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.667 8.534 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.997 7.535 1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.147 5.146 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.659 4.871 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.117 4.262 2.615 1.00 0.00 H new ATOM 476 N LEU A 32 4.072 4.369 6.883 1.00 0.00 N ATOM 477 CA LEU A 32 4.835 4.442 8.146 1.00 0.00 C ATOM 478 C LEU A 32 5.937 5.509 8.052 1.00 0.00 C ATOM 479 O LEU A 32 6.341 6.088 9.066 1.00 0.00 O ATOM 480 CB LEU A 32 5.468 3.074 8.465 1.00 0.00 C ATOM 481 CG LEU A 32 4.477 1.908 8.756 1.00 0.00 C ATOM 482 CD1 LEU A 32 5.240 0.581 8.931 1.00 0.00 C ATOM 483 CD2 LEU A 32 3.571 2.222 9.973 1.00 0.00 C ATOM 0 H LEU A 32 4.319 3.571 6.298 1.00 0.00 H new ATOM 0 HA LEU A 32 4.146 4.716 8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.100 2.785 7.625 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.121 3.192 9.330 1.00 0.00 H new ATOM 0 HG LEU A 32 3.817 1.799 7.896 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.531 -0.222 9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.792 0.356 8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.937 0.669 9.765 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.893 1.387 10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.190 2.377 10.857 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.992 3.124 9.773 1.00 0.00 H new ATOM 495 N GLN A 33 6.419 5.735 6.823 1.00 0.00 N ATOM 496 CA GLN A 33 7.523 6.656 6.536 1.00 0.00 C ATOM 497 C GLN A 33 7.414 7.150 5.081 1.00 0.00 C ATOM 498 O GLN A 33 6.918 6.423 4.205 1.00 0.00 O ATOM 499 CB GLN A 33 8.885 5.928 6.767 1.00 0.00 C ATOM 500 CG GLN A 33 10.145 6.740 6.380 1.00 0.00 C ATOM 501 CD GLN A 33 11.425 5.908 6.364 1.00 0.00 C ATOM 502 OE1 GLN A 33 12.148 5.828 7.353 1.00 0.00 O ATOM 503 NE2 GLN A 33 11.683 5.230 5.255 1.00 0.00 N ATOM 0 H GLN A 33 6.048 5.277 5.991 1.00 0.00 H new ATOM 0 HA GLN A 33 7.469 7.516 7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.958 5.655 7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.883 4.999 6.197 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.995 7.180 5.394 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.266 7.565 7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.064 5.316 4.449 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.500 4.622 5.208 1.00 0.00 H new ATOM 512 N VAL A 34 7.850 8.402 4.845 1.00 0.00 N ATOM 513 CA VAL A 34 8.098 8.944 3.501 1.00 0.00 C ATOM 514 C VAL A 34 9.629 9.192 3.345 1.00 0.00 C ATOM 515 O VAL A 34 10.147 10.231 3.759 1.00 0.00 O ATOM 516 CB VAL A 34 7.226 10.243 3.215 1.00 0.00 C ATOM 517 CG1 VAL A 34 5.717 9.884 3.119 1.00 0.00 C ATOM 518 CG2 VAL A 34 7.449 11.369 4.269 1.00 0.00 C ATOM 0 H VAL A 34 8.041 9.070 5.592 1.00 0.00 H new ATOM 0 HA VAL A 34 7.783 8.222 2.747 1.00 0.00 H new ATOM 0 HB VAL A 34 7.564 10.636 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.140 10.788 2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.563 9.172 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.388 9.440 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.827 12.229 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.179 11.000 5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.497 11.667 4.267 1.00 0.00 H new ATOM 528 N PRO A 35 10.407 8.186 2.807 1.00 0.00 N ATOM 529 CA PRO A 35 11.888 8.300 2.672 1.00 0.00 C ATOM 530 C PRO A 35 12.291 9.354 1.618 1.00 0.00 C ATOM 531 O PRO A 35 13.362 9.967 1.722 1.00 0.00 O ATOM 532 CB PRO A 35 12.330 6.868 2.275 1.00 0.00 C ATOM 533 CG PRO A 35 11.125 6.263 1.614 1.00 0.00 C ATOM 534 CD PRO A 35 9.921 6.871 2.304 1.00 0.00 C ATOM 0 HA PRO A 35 12.370 8.643 3.587 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.183 6.891 1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.633 6.291 3.149 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.115 6.482 0.546 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.127 5.178 1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.087 6.994 1.613 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.569 6.239 3.119 1.00 0.00 H new ATOM 542 N ASP A 36 11.399 9.557 0.628 1.00 0.00 N ATOM 543 CA ASP A 36 11.530 10.580 -0.430 1.00 0.00 C ATOM 544 C ASP A 36 10.269 10.566 -1.303 1.00 0.00 C ATOM 545 O ASP A 36 9.647 11.606 -1.547 1.00 0.00 O ATOM 546 CB ASP A 36 12.786 10.343 -1.314 1.00 0.00 C ATOM 547 CG ASP A 36 12.929 11.363 -2.458 1.00 0.00 C ATOM 548 OD1 ASP A 36 13.377 12.501 -2.208 1.00 0.00 O ATOM 549 OD2 ASP A 36 12.602 11.038 -3.618 1.00 0.00 O ATOM 0 H ASP A 36 10.548 9.002 0.539 1.00 0.00 H new ATOM 0 HA ASP A 36 11.647 11.552 0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.676 10.385 -0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.740 9.339 -1.736 1.00 0.00 H new ATOM 554 N GLY A 37 9.922 9.360 -1.775 1.00 0.00 N ATOM 555 CA GLY A 37 8.740 9.144 -2.609 1.00 0.00 C ATOM 556 C GLY A 37 8.874 7.900 -3.467 1.00 0.00 C ATOM 557 O GLY A 37 9.931 7.255 -3.455 1.00 0.00 O ATOM 0 H GLY A 37 10.455 8.511 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.859 9.054 -1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.584 10.012 -3.250 1.00 0.00 H new ATOM 561 N GLY A 38 7.808 7.577 -4.224 1.00 0.00 N ATOM 562 CA GLY A 38 7.787 6.402 -5.102 1.00 0.00 C ATOM 563 C GLY A 38 7.739 5.103 -4.311 1.00 0.00 C ATOM 564 O GLY A 38 6.675 4.494 -4.157 1.00 0.00 O ATOM 0 H GLY A 38 6.946 8.122 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.921 6.457 -5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.673 6.408 -5.737 1.00 0.00 H new ATOM 568 N TRP A 39 8.908 4.682 -3.806 1.00 0.00 N ATOM 569 CA TRP A 39 9.024 3.557 -2.867 1.00 0.00 C ATOM 570 C TRP A 39 8.780 4.054 -1.438 1.00 0.00 C ATOM 571 O TRP A 39 9.589 4.802 -0.880 1.00 0.00 O ATOM 572 CB TRP A 39 10.414 2.884 -2.974 1.00 0.00 C ATOM 573 CG TRP A 39 10.573 2.004 -4.183 1.00 0.00 C ATOM 574 CD1 TRP A 39 11.028 2.359 -5.422 1.00 0.00 C ATOM 575 CD2 TRP A 39 10.263 0.605 -4.251 1.00 0.00 C ATOM 576 NE1 TRP A 39 11.040 1.263 -6.243 1.00 0.00 N ATOM 577 CE2 TRP A 39 10.571 0.178 -5.549 1.00 0.00 C ATOM 578 CE3 TRP A 39 9.767 -0.327 -3.322 1.00 0.00 C ATOM 579 CZ2 TRP A 39 10.400 -1.138 -5.951 1.00 0.00 C ATOM 580 CZ3 TRP A 39 9.588 -1.634 -3.725 1.00 0.00 C ATOM 581 CH2 TRP A 39 9.905 -2.030 -5.031 1.00 0.00 C ATOM 0 H TRP A 39 9.802 5.114 -4.038 1.00 0.00 H new ATOM 0 HA TRP A 39 8.272 2.811 -3.123 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.181 3.658 -2.997 1.00 0.00 H new ATOM 0 HB3 TRP A 39 10.589 2.289 -2.078 1.00 0.00 H new ATOM 0 HD1 TRP A 39 11.332 3.354 -5.710 1.00 0.00 H new ATOM 0 HE1 TRP A 39 11.349 1.255 -7.215 1.00 0.00 H new ATOM 0 HE3 TRP A 39 9.531 -0.025 -2.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.648 -1.451 -6.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 9.199 -2.360 -3.026 1.00 0.00 H new ATOM 0 HH2 TRP A 39 9.757 -3.060 -5.321 1.00 0.00 H new ATOM 592 N TRP A 40 7.630 3.664 -0.887 1.00 0.00 N ATOM 593 CA TRP A 40 7.283 3.870 0.525 1.00 0.00 C ATOM 594 C TRP A 40 7.208 2.514 1.224 1.00 0.00 C ATOM 595 O TRP A 40 7.442 1.468 0.604 1.00 0.00 O ATOM 596 CB TRP A 40 5.934 4.613 0.649 1.00 0.00 C ATOM 597 CG TRP A 40 5.935 6.000 0.060 1.00 0.00 C ATOM 598 CD1 TRP A 40 6.557 7.102 0.567 1.00 0.00 C ATOM 599 CD2 TRP A 40 5.267 6.438 -1.134 1.00 0.00 C ATOM 600 NE1 TRP A 40 6.319 8.187 -0.228 1.00 0.00 N ATOM 601 CE2 TRP A 40 5.531 7.807 -1.279 1.00 0.00 C ATOM 602 CE3 TRP A 40 4.471 5.798 -2.090 1.00 0.00 C ATOM 603 CZ2 TRP A 40 5.033 8.554 -2.341 1.00 0.00 C ATOM 604 CZ3 TRP A 40 3.975 6.538 -3.143 1.00 0.00 C ATOM 605 CH2 TRP A 40 4.260 7.902 -3.264 1.00 0.00 C ATOM 0 H TRP A 40 6.899 3.188 -1.416 1.00 0.00 H new ATOM 0 HA TRP A 40 8.050 4.482 0.999 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.161 4.023 0.158 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.664 4.678 1.703 1.00 0.00 H new ATOM 0 HD1 TRP A 40 7.152 7.115 1.468 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.672 9.130 -0.064 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.249 4.744 -2.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.248 9.608 -2.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.357 6.056 -3.886 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.862 8.453 -4.103 1.00 0.00 H new ATOM 616 N GLU A 41 6.937 2.545 2.529 1.00 0.00 N ATOM 617 CA GLU A 41 6.686 1.345 3.333 1.00 0.00 C ATOM 618 C GLU A 41 5.506 1.603 4.276 1.00 0.00 C ATOM 619 O GLU A 41 5.317 2.729 4.763 1.00 0.00 O ATOM 620 CB GLU A 41 7.956 0.898 4.130 1.00 0.00 C ATOM 621 CG GLU A 41 8.600 1.984 5.030 1.00 0.00 C ATOM 622 CD GLU A 41 9.435 3.027 4.255 1.00 0.00 C ATOM 623 OE1 GLU A 41 10.618 2.751 3.962 1.00 0.00 O ATOM 624 OE2 GLU A 41 8.917 4.112 3.926 1.00 0.00 O ATOM 0 H GLU A 41 6.885 3.412 3.064 1.00 0.00 H new ATOM 0 HA GLU A 41 6.437 0.525 2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.689 0.046 4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.705 0.550 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.813 2.500 5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.238 1.498 5.768 1.00 0.00 H new ATOM 631 N GLY A 42 4.718 0.549 4.512 1.00 0.00 N ATOM 632 CA GLY A 42 3.530 0.614 5.357 1.00 0.00 C ATOM 633 C GLY A 42 3.189 -0.739 5.955 1.00 0.00 C ATOM 634 O GLY A 42 3.873 -1.736 5.683 1.00 0.00 O ATOM 0 H GLY A 42 4.891 -0.376 4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.693 1.335 6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.686 0.975 4.770 1.00 0.00 H new ATOM 638 N GLU A 43 2.125 -0.778 6.775 1.00 0.00 N ATOM 639 CA GLU A 43 1.621 -2.022 7.378 1.00 0.00 C ATOM 640 C GLU A 43 0.368 -2.481 6.643 1.00 0.00 C ATOM 641 O GLU A 43 -0.412 -1.662 6.146 1.00 0.00 O ATOM 642 CB GLU A 43 1.300 -1.835 8.884 1.00 0.00 C ATOM 643 CG GLU A 43 2.535 -1.652 9.764 1.00 0.00 C ATOM 644 CD GLU A 43 2.204 -1.591 11.258 1.00 0.00 C ATOM 645 OE1 GLU A 43 1.887 -0.496 11.772 1.00 0.00 O ATOM 646 OE2 GLU A 43 2.256 -2.644 11.931 1.00 0.00 O ATOM 0 H GLU A 43 1.592 0.051 7.038 1.00 0.00 H new ATOM 0 HA GLU A 43 2.402 -2.777 7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.651 -0.967 9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.741 -2.702 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.227 -2.475 9.585 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.048 -0.735 9.474 1.00 0.00 H new ATOM 653 N LYS A 44 0.191 -3.800 6.601 1.00 0.00 N ATOM 654 CA LYS A 44 -0.952 -4.449 5.963 1.00 0.00 C ATOM 655 C LYS A 44 -1.811 -5.122 7.054 1.00 0.00 C ATOM 656 O LYS A 44 -1.270 -5.627 8.046 1.00 0.00 O ATOM 657 CB LYS A 44 -0.434 -5.479 4.917 1.00 0.00 C ATOM 658 CG LYS A 44 -1.471 -5.918 3.875 1.00 0.00 C ATOM 659 CD LYS A 44 -1.999 -4.732 3.033 1.00 0.00 C ATOM 660 CE LYS A 44 -2.884 -5.193 1.872 1.00 0.00 C ATOM 661 NZ LYS A 44 -4.024 -6.032 2.328 1.00 0.00 N ATOM 0 H LYS A 44 0.849 -4.459 7.017 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.573 -3.722 5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.422 -5.048 4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.075 -6.362 5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.025 -6.660 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.307 -6.402 4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.567 -4.058 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.156 -4.164 2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.267 -4.321 1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.281 -5.759 1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.631 -6.263 1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.661 -6.910 2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.578 -5.510 3.037 1.00 0.00 H new ATOM 675 N GLU A 45 -3.144 -5.127 6.864 1.00 0.00 N ATOM 676 CA GLU A 45 -4.104 -5.697 7.843 1.00 0.00 C ATOM 677 C GLU A 45 -4.011 -7.237 7.932 1.00 0.00 C ATOM 678 O GLU A 45 -4.639 -7.860 8.795 1.00 0.00 O ATOM 679 CB GLU A 45 -5.543 -5.246 7.484 1.00 0.00 C ATOM 680 CG GLU A 45 -5.736 -3.713 7.465 1.00 0.00 C ATOM 681 CD GLU A 45 -5.339 -3.045 8.797 1.00 0.00 C ATOM 682 OE1 GLU A 45 -6.096 -3.179 9.781 1.00 0.00 O ATOM 683 OE2 GLU A 45 -4.267 -2.403 8.867 1.00 0.00 O ATOM 0 H GLU A 45 -3.590 -4.739 6.033 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.842 -5.316 8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.804 -5.647 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.238 -5.680 8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.140 -3.286 6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.779 -3.485 7.246 1.00 0.00 H new ATOM 690 N ASP A 46 -3.215 -7.827 7.033 1.00 0.00 N ATOM 691 CA ASP A 46 -2.861 -9.259 7.042 1.00 0.00 C ATOM 692 C ASP A 46 -1.832 -9.592 8.150 1.00 0.00 C ATOM 693 O ASP A 46 -1.518 -10.769 8.380 1.00 0.00 O ATOM 694 CB ASP A 46 -2.285 -9.642 5.649 1.00 0.00 C ATOM 695 CG ASP A 46 -3.300 -9.455 4.499 1.00 0.00 C ATOM 696 OD1 ASP A 46 -3.645 -8.297 4.170 1.00 0.00 O ATOM 697 OD2 ASP A 46 -3.764 -10.449 3.920 1.00 0.00 O ATOM 0 H ASP A 46 -2.788 -7.315 6.261 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.761 -9.836 7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.402 -9.035 5.448 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.958 -10.682 5.671 1.00 0.00 H new ATOM 702 N GLY A 47 -1.301 -8.550 8.821 1.00 0.00 N ATOM 703 CA GLY A 47 -0.266 -8.706 9.855 1.00 0.00 C ATOM 704 C GLY A 47 1.142 -8.576 9.282 1.00 0.00 C ATOM 705 O GLY A 47 2.102 -8.314 10.015 1.00 0.00 O ATOM 0 H GLY A 47 -1.578 -7.582 8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.412 -7.954 10.630 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.374 -9.680 10.332 1.00 0.00 H new ATOM 709 N LEU A 48 1.246 -8.753 7.952 1.00 0.00 N ATOM 710 CA LEU A 48 2.505 -8.688 7.198 1.00 0.00 C ATOM 711 C LEU A 48 2.865 -7.225 6.888 1.00 0.00 C ATOM 712 O LEU A 48 2.000 -6.339 6.904 1.00 0.00 O ATOM 713 CB LEU A 48 2.357 -9.497 5.877 1.00 0.00 C ATOM 714 CG LEU A 48 1.941 -11.001 6.028 1.00 0.00 C ATOM 715 CD1 LEU A 48 1.647 -11.645 4.653 1.00 0.00 C ATOM 716 CD2 LEU A 48 2.999 -11.804 6.825 1.00 0.00 C ATOM 0 H LEU A 48 0.438 -8.949 7.362 1.00 0.00 H new ATOM 0 HA LEU A 48 3.306 -9.120 7.797 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.617 -8.998 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.306 -9.456 5.342 1.00 0.00 H new ATOM 0 HG LEU A 48 1.015 -11.031 6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.362 -12.688 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.833 -11.108 4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.539 -11.594 4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.679 -12.842 6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.956 -11.761 6.305 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.108 -11.374 7.821 1.00 0.00 H new ATOM 728 N ARG A 49 4.152 -6.985 6.619 1.00 0.00 N ATOM 729 CA ARG A 49 4.670 -5.677 6.183 1.00 0.00 C ATOM 730 C ARG A 49 5.342 -5.824 4.807 1.00 0.00 C ATOM 731 O ARG A 49 5.436 -6.933 4.259 1.00 0.00 O ATOM 732 CB ARG A 49 5.665 -5.107 7.231 1.00 0.00 C ATOM 733 CG ARG A 49 5.049 -4.830 8.627 1.00 0.00 C ATOM 734 CD ARG A 49 6.064 -4.225 9.614 1.00 0.00 C ATOM 735 NE ARG A 49 5.472 -3.992 10.944 1.00 0.00 N ATOM 736 CZ ARG A 49 5.713 -2.931 11.728 1.00 0.00 C ATOM 737 NH1 ARG A 49 6.470 -1.926 11.306 1.00 0.00 N ATOM 738 NH2 ARG A 49 5.174 -2.879 12.930 1.00 0.00 N ATOM 0 H ARG A 49 4.875 -7.700 6.698 1.00 0.00 H new ATOM 0 HA ARG A 49 3.842 -4.973 6.096 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.491 -5.809 7.346 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.086 -4.179 6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.204 -4.150 8.518 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.658 -5.761 9.039 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.919 -4.894 9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.440 -3.283 9.215 1.00 0.00 H new ATOM 0 HE ARG A 49 4.825 -4.697 11.297 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.879 -1.953 10.372 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.643 -1.127 11.916 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.580 -3.641 13.256 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.351 -2.076 13.534 1.00 0.00 H new ATOM 752 N GLY A 50 5.818 -4.697 4.268 1.00 0.00 N ATOM 753 CA GLY A 50 6.388 -4.635 2.918 1.00 0.00 C ATOM 754 C GLY A 50 5.493 -3.814 2.017 1.00 0.00 C ATOM 755 O GLY A 50 4.304 -3.645 2.318 1.00 0.00 O ATOM 0 H GLY A 50 5.819 -3.801 4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.384 -4.194 2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.500 -5.641 2.515 1.00 0.00 H new ATOM 759 N TRP A 51 6.052 -3.288 0.917 1.00 0.00 N ATOM 760 CA TRP A 51 5.337 -2.330 0.058 1.00 0.00 C ATOM 761 C TRP A 51 5.889 -2.325 -1.374 1.00 0.00 C ATOM 762 O TRP A 51 6.915 -2.941 -1.671 1.00 0.00 O ATOM 763 CB TRP A 51 5.370 -0.895 0.688 1.00 0.00 C ATOM 764 CG TRP A 51 4.010 -0.300 0.958 1.00 0.00 C ATOM 765 CD1 TRP A 51 3.107 -0.721 1.888 1.00 0.00 C ATOM 766 CD2 TRP A 51 3.408 0.816 0.299 1.00 0.00 C ATOM 767 NE1 TRP A 51 1.992 0.060 1.847 1.00 0.00 N ATOM 768 CE2 TRP A 51 2.145 1.009 0.882 1.00 0.00 C ATOM 769 CE3 TRP A 51 3.817 1.669 -0.723 1.00 0.00 C ATOM 770 CZ2 TRP A 51 1.289 2.023 0.481 1.00 0.00 C ATOM 771 CZ3 TRP A 51 2.967 2.669 -1.128 1.00 0.00 C ATOM 772 CH2 TRP A 51 1.714 2.840 -0.527 1.00 0.00 C ATOM 0 H TRP A 51 6.996 -3.509 0.601 1.00 0.00 H new ATOM 0 HA TRP A 51 4.297 -2.651 -0.005 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.927 -0.935 1.624 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.917 -0.231 0.019 1.00 0.00 H new ATOM 0 HD1 TRP A 51 3.254 -1.553 2.560 1.00 0.00 H new ATOM 0 HE1 TRP A 51 1.172 -0.049 2.444 1.00 0.00 H new ATOM 0 HE3 TRP A 51 4.784 1.547 -1.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.325 2.161 0.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.270 3.334 -1.923 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.069 3.636 -0.868 1.00 0.00 H new ATOM 783 N PHE A 52 5.189 -1.579 -2.240 1.00 0.00 N ATOM 784 CA PHE A 52 5.439 -1.529 -3.698 1.00 0.00 C ATOM 785 C PHE A 52 5.650 -0.061 -4.144 1.00 0.00 C ATOM 786 O PHE A 52 5.388 0.858 -3.360 1.00 0.00 O ATOM 787 CB PHE A 52 4.238 -2.198 -4.438 1.00 0.00 C ATOM 788 CG PHE A 52 4.241 -3.720 -4.350 1.00 0.00 C ATOM 789 CD1 PHE A 52 5.091 -4.473 -5.160 1.00 0.00 C ATOM 790 CD2 PHE A 52 3.413 -4.402 -3.459 1.00 0.00 C ATOM 791 CE1 PHE A 52 5.117 -5.854 -5.081 1.00 0.00 C ATOM 792 CE2 PHE A 52 3.438 -5.780 -3.384 1.00 0.00 C ATOM 793 CZ PHE A 52 4.288 -6.507 -4.193 1.00 0.00 C ATOM 0 H PHE A 52 4.417 -0.980 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 52 6.346 -2.078 -3.950 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.306 -1.820 -4.018 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.258 -1.903 -5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.740 -3.969 -5.861 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.744 -3.845 -2.820 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.785 -6.420 -5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.789 -6.292 -2.689 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.304 -7.585 -4.131 1.00 0.00 H new ATOM 803 N PRO A 53 6.160 0.194 -5.407 1.00 0.00 N ATOM 804 CA PRO A 53 6.286 1.573 -5.947 1.00 0.00 C ATOM 805 C PRO A 53 4.912 2.275 -6.138 1.00 0.00 C ATOM 806 O PRO A 53 3.848 1.639 -6.049 1.00 0.00 O ATOM 807 CB PRO A 53 7.027 1.367 -7.303 1.00 0.00 C ATOM 808 CG PRO A 53 6.732 -0.049 -7.684 1.00 0.00 C ATOM 809 CD PRO A 53 6.681 -0.812 -6.380 1.00 0.00 C ATOM 0 HA PRO A 53 6.821 2.233 -5.264 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.668 2.064 -8.060 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.099 1.534 -7.198 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.786 -0.123 -8.220 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.503 -0.448 -8.343 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.026 -1.681 -6.449 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.666 -1.178 -6.090 1.00 0.00 H new ATOM 817 N ALA A 54 4.978 3.587 -6.433 1.00 0.00 N ATOM 818 CA ALA A 54 3.796 4.482 -6.564 1.00 0.00 C ATOM 819 C ALA A 54 2.851 4.086 -7.721 1.00 0.00 C ATOM 820 O ALA A 54 1.716 4.557 -7.786 1.00 0.00 O ATOM 821 CB ALA A 54 4.270 5.942 -6.724 1.00 0.00 C ATOM 0 H ALA A 54 5.863 4.069 -6.591 1.00 0.00 H new ATOM 0 HA ALA A 54 3.211 4.376 -5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.404 6.597 -6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.851 6.234 -5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.890 6.027 -7.616 1.00 0.00 H new ATOM 827 N SER A 55 3.343 3.233 -8.627 1.00 0.00 N ATOM 828 CA SER A 55 2.579 2.709 -9.781 1.00 0.00 C ATOM 829 C SER A 55 1.347 1.869 -9.362 1.00 0.00 C ATOM 830 O SER A 55 0.347 1.813 -10.086 1.00 0.00 O ATOM 831 CB SER A 55 3.527 1.856 -10.640 1.00 0.00 C ATOM 832 OG SER A 55 4.212 0.904 -9.834 1.00 0.00 O ATOM 0 H SER A 55 4.298 2.878 -8.584 1.00 0.00 H new ATOM 0 HA SER A 55 2.193 3.559 -10.344 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.960 1.342 -11.417 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.248 2.500 -11.144 1.00 0.00 H new ATOM 0 HG SER A 55 3.569 0.260 -9.470 1.00 0.00 H new ATOM 838 N TYR A 56 1.447 1.204 -8.193 1.00 0.00 N ATOM 839 CA TYR A 56 0.396 0.294 -7.677 1.00 0.00 C ATOM 840 C TYR A 56 -0.570 0.984 -6.701 1.00 0.00 C ATOM 841 O TYR A 56 -1.561 0.372 -6.285 1.00 0.00 O ATOM 842 CB TYR A 56 1.059 -0.926 -6.997 1.00 0.00 C ATOM 843 CG TYR A 56 1.836 -1.814 -7.978 1.00 0.00 C ATOM 844 CD1 TYR A 56 1.163 -2.667 -8.861 1.00 0.00 C ATOM 845 CD2 TYR A 56 3.230 -1.801 -8.028 1.00 0.00 C ATOM 846 CE1 TYR A 56 1.852 -3.466 -9.749 1.00 0.00 C ATOM 847 CE2 TYR A 56 3.918 -2.602 -8.920 1.00 0.00 C ATOM 848 CZ TYR A 56 3.225 -3.434 -9.773 1.00 0.00 C ATOM 849 OH TYR A 56 3.910 -4.232 -10.661 1.00 0.00 O ATOM 0 H TYR A 56 2.257 1.281 -7.578 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.201 -0.027 -8.530 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.737 -0.576 -6.218 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.290 -1.523 -6.506 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.084 -2.700 -8.846 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.780 -1.155 -7.360 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.314 -4.115 -10.424 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.997 -2.576 -8.949 1.00 0.00 H new ATOM 0 HH TYR A 56 4.413 -4.913 -10.168 1.00 0.00 H new ATOM 859 N VAL A 57 -0.275 2.248 -6.335 1.00 0.00 N ATOM 860 CA VAL A 57 -1.072 3.032 -5.354 1.00 0.00 C ATOM 861 C VAL A 57 -1.301 4.468 -5.872 1.00 0.00 C ATOM 862 O VAL A 57 -0.866 4.804 -6.973 1.00 0.00 O ATOM 863 CB VAL A 57 -0.374 3.084 -3.939 1.00 0.00 C ATOM 864 CG1 VAL A 57 -0.282 1.674 -3.300 1.00 0.00 C ATOM 865 CG2 VAL A 57 1.020 3.769 -4.032 1.00 0.00 C ATOM 0 H VAL A 57 0.524 2.760 -6.709 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.032 2.528 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.995 3.691 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.204 1.747 -2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.285 1.265 -3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.300 1.018 -3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.480 3.793 -3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.656 3.207 -4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.901 4.788 -4.401 1.00 0.00 H new ATOM 875 N GLN A 58 -2.010 5.298 -5.080 1.00 0.00 N ATOM 876 CA GLN A 58 -2.194 6.734 -5.380 1.00 0.00 C ATOM 877 C GLN A 58 -2.401 7.490 -4.053 1.00 0.00 C ATOM 878 O GLN A 58 -3.210 7.069 -3.229 1.00 0.00 O ATOM 879 CB GLN A 58 -3.398 6.950 -6.365 1.00 0.00 C ATOM 880 CG GLN A 58 -3.227 8.108 -7.383 1.00 0.00 C ATOM 881 CD GLN A 58 -3.027 9.490 -6.754 1.00 0.00 C ATOM 882 OE1 GLN A 58 -1.895 9.936 -6.533 1.00 0.00 O ATOM 883 NE2 GLN A 58 -4.122 10.158 -6.425 1.00 0.00 N ATOM 0 H GLN A 58 -2.468 4.995 -4.220 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.307 7.126 -5.879 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.564 6.025 -6.917 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.297 7.136 -5.777 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.372 7.888 -8.022 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.106 8.141 -8.026 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.040 9.760 -6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.047 11.070 -5.975 1.00 0.00 H new ATOM 892 N LEU A 59 -1.666 8.601 -3.871 1.00 0.00 N ATOM 893 CA LEU A 59 -1.740 9.446 -2.660 1.00 0.00 C ATOM 894 C LEU A 59 -3.129 10.111 -2.532 1.00 0.00 C ATOM 895 O LEU A 59 -3.660 10.640 -3.521 1.00 0.00 O ATOM 896 CB LEU A 59 -0.628 10.534 -2.707 1.00 0.00 C ATOM 897 CG LEU A 59 0.850 10.017 -2.790 1.00 0.00 C ATOM 898 CD1 LEU A 59 1.847 11.190 -2.946 1.00 0.00 C ATOM 899 CD2 LEU A 59 1.201 9.129 -1.573 1.00 0.00 C ATOM 0 H LEU A 59 -0.999 8.942 -4.563 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.587 8.811 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.814 11.176 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.722 11.158 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 59 0.936 9.397 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.863 10.799 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.621 11.741 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.761 11.857 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.232 8.785 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.086 9.707 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.533 8.268 -1.546 1.00 0.00 H new ATOM 911 N LEU A 60 -3.718 10.069 -1.320 1.00 0.00 N ATOM 912 CA LEU A 60 -5.014 10.713 -1.037 1.00 0.00 C ATOM 913 C LEU A 60 -4.796 12.223 -0.772 1.00 0.00 C ATOM 914 O LEU A 60 -4.302 12.580 0.321 1.00 0.00 O ATOM 915 CB LEU A 60 -5.722 10.018 0.167 1.00 0.00 C ATOM 916 CG LEU A 60 -6.090 8.508 -0.019 1.00 0.00 C ATOM 917 CD1 LEU A 60 -6.878 7.962 1.193 1.00 0.00 C ATOM 918 CD2 LEU A 60 -6.861 8.269 -1.334 1.00 0.00 C ATOM 919 OXT LEU A 60 -5.081 13.046 -1.667 1.00 0.00 O ATOM 0 H LEU A 60 -3.311 9.591 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.667 10.606 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.076 10.107 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.637 10.568 0.389 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.152 7.955 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.116 6.911 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.273 8.060 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.801 8.529 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.099 7.210 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.784 8.849 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.245 8.579 -2.178 1.00 0.00 H new