USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 292 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 : X 16 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 25 TYR OH : rot 180:sc= 0 USER MOD Single : X 52 SER OG : rot 180:sc= 0 USER MOD Single : X 60 MET CE :methyl -154:sc= -1.45 (180deg=-3.66!) USER MOD Single : X 61 TYR OH : rot 30:sc= -0.215 USER MOD ----------------------------------------------------------------- ATOM 60 N LEU X 6 33.775 -9.602 17.017 1.00 0.00 N ATOM 61 CA LEU X 6 33.203 -8.938 15.853 1.00 0.00 C ATOM 62 C LEU X 6 34.096 -9.141 14.633 1.00 0.00 C ATOM 63 O LEU X 6 35.279 -8.799 14.655 1.00 0.00 O ATOM 64 CB LEU X 6 33.055 -7.443 16.137 1.00 0.00 C ATOM 65 CG LEU X 6 32.223 -7.241 17.406 1.00 0.00 C ATOM 66 CD1 LEU X 6 32.130 -5.745 17.720 1.00 0.00 C ATOM 67 CD2 LEU X 6 30.815 -7.806 17.196 1.00 0.00 C ATOM 0 HA LEU X 6 32.224 -9.370 15.648 1.00 0.00 H new ATOM 0 HB2 LEU X 6 34.037 -6.987 16.258 1.00 0.00 H new ATOM 0 HB3 LEU X 6 32.575 -6.948 15.293 1.00 0.00 H new ATOM 0 HG LEU X 6 32.700 -7.761 18.237 1.00 0.00 H new ATOM 0 HD11 LEU X 6 31.538 -5.599 18.623 1.00 0.00 H new ATOM 0 HD12 LEU X 6 33.131 -5.342 17.873 1.00 0.00 H new ATOM 0 HD13 LEU X 6 31.655 -5.227 16.887 1.00 0.00 H new ATOM 0 HD21 LEU X 6 30.226 -7.660 18.101 1.00 0.00 H new ATOM 0 HD22 LEU X 6 30.336 -7.289 16.364 1.00 0.00 H new ATOM 0 HD23 LEU X 6 30.880 -8.871 16.973 1.00 0.00 H new ATOM 79 N CYS X 7 33.520 -9.701 13.574 1.00 0.00 N ATOM 80 CA CYS X 7 34.268 -9.950 12.347 1.00 0.00 C ATOM 81 C CYS X 7 33.319 -10.224 11.179 1.00 0.00 C ATOM 82 O CYS X 7 32.245 -10.808 11.356 1.00 0.00 O ATOM 83 CB CYS X 7 35.207 -11.143 12.539 1.00 0.00 C ATOM 84 SG CYS X 7 36.251 -11.326 11.071 1.00 0.00 S ATOM 0 H CYS X 7 32.542 -9.990 13.541 1.00 0.00 H new ATOM 0 HA CYS X 7 34.855 -9.060 12.118 1.00 0.00 H new ATOM 0 HB2 CYS X 7 35.826 -10.994 13.423 1.00 0.00 H new ATOM 0 HB3 CYS X 7 34.629 -12.052 12.704 1.00 0.00 H new ATOM 89 N GLY X 8 33.728 -9.803 9.985 1.00 0.00 N ATOM 90 CA GLY X 8 32.917 -10.018 8.793 1.00 0.00 C ATOM 91 C GLY X 8 31.538 -9.388 8.941 1.00 0.00 C ATOM 92 O GLY X 8 31.409 -8.206 9.258 1.00 0.00 O ATOM 0 H GLY X 8 34.608 -9.315 9.819 1.00 0.00 H new ATOM 0 HA2 GLY X 8 33.422 -9.593 7.925 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.813 -11.087 8.609 1.00 0.00 H new ATOM 96 N ALA X 9 30.507 -10.193 8.704 1.00 0.00 N ATOM 97 CA ALA X 9 29.135 -9.717 8.809 1.00 0.00 C ATOM 98 C ALA X 9 28.847 -9.224 10.221 1.00 0.00 C ATOM 99 O ALA X 9 28.139 -8.234 10.410 1.00 0.00 O ATOM 100 CB ALA X 9 28.156 -10.836 8.453 1.00 0.00 C ATOM 0 H ALA X 9 30.596 -11.174 8.439 1.00 0.00 H new ATOM 0 HA ALA X 9 29.008 -8.891 8.110 1.00 0.00 H new ATOM 0 HB1 ALA X 9 27.134 -10.466 8.536 1.00 0.00 H new ATOM 0 HB2 ALA X 9 28.340 -11.169 7.431 1.00 0.00 H new ATOM 0 HB3 ALA X 9 28.295 -11.673 9.138 1.00 0.00 H new ATOM 106 N GLU X 10 29.396 -9.920 11.212 1.00 0.00 N ATOM 107 CA GLU X 10 29.176 -9.534 12.600 1.00 0.00 C ATOM 108 C GLU X 10 29.740 -8.142 12.855 1.00 0.00 C ATOM 109 O GLU X 10 29.126 -7.329 13.545 1.00 0.00 O ATOM 110 CB GLU X 10 29.849 -10.546 13.531 1.00 0.00 C ATOM 111 CG GLU X 10 29.094 -11.878 13.495 1.00 0.00 C ATOM 112 CD GLU X 10 27.661 -11.685 13.983 1.00 0.00 C ATOM 113 OE1 GLU X 10 27.488 -11.056 15.013 1.00 0.00 O ATOM 114 OE2 GLU X 10 26.760 -12.173 13.320 1.00 0.00 O ATOM 0 H GLU X 10 29.987 -10.741 11.083 1.00 0.00 H new ATOM 0 HA GLU X 10 28.104 -9.520 12.797 1.00 0.00 H new ATOM 0 HB2 GLU X 10 30.885 -10.698 13.228 1.00 0.00 H new ATOM 0 HB3 GLU X 10 29.869 -10.158 14.549 1.00 0.00 H new ATOM 0 HG2 GLU X 10 29.090 -12.275 12.480 1.00 0.00 H new ATOM 0 HG3 GLU X 10 29.604 -12.610 14.121 1.00 0.00 H new ATOM 121 N LEU X 11 30.908 -7.870 12.286 1.00 0.00 N ATOM 122 CA LEU X 11 31.532 -6.566 12.456 1.00 0.00 C ATOM 123 C LEU X 11 30.672 -5.477 11.825 1.00 0.00 C ATOM 124 O LEU X 11 30.482 -4.410 12.405 1.00 0.00 O ATOM 125 CB LEU X 11 32.923 -6.559 11.815 1.00 0.00 C ATOM 126 CG LEU X 11 33.574 -5.182 11.989 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.766 -4.877 13.476 1.00 0.00 C ATOM 128 CD2 LEU X 11 34.935 -5.172 11.289 1.00 0.00 C ATOM 0 H LEU X 11 31.436 -8.526 11.710 1.00 0.00 H new ATOM 0 HA LEU X 11 31.627 -6.367 13.523 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.547 -7.326 12.273 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.845 -6.802 10.755 1.00 0.00 H new ATOM 0 HG LEU X 11 32.927 -4.423 11.549 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.229 -3.897 13.590 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.798 -4.881 13.976 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.408 -5.636 13.923 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.400 -4.194 11.411 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.576 -5.936 11.729 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.800 -5.379 10.227 1.00 0.00 H new ATOM 140 N VAL X 12 30.160 -5.752 10.629 1.00 0.00 N ATOM 141 CA VAL X 12 29.329 -4.781 9.927 1.00 0.00 C ATOM 142 C VAL X 12 28.099 -4.422 10.747 1.00 0.00 C ATOM 143 O VAL X 12 27.753 -3.247 10.888 1.00 0.00 O ATOM 144 CB VAL X 12 28.898 -5.352 8.574 1.00 0.00 C ATOM 145 CG1 VAL X 12 27.762 -4.507 7.991 1.00 0.00 C ATOM 146 CG2 VAL X 12 30.089 -5.301 7.612 1.00 0.00 C ATOM 0 H VAL X 12 30.304 -6.630 10.130 1.00 0.00 H new ATOM 0 HA VAL X 12 29.916 -3.875 9.773 1.00 0.00 H new ATOM 0 HB VAL X 12 28.558 -6.379 8.708 1.00 0.00 H new ATOM 0 HG11 VAL X 12 27.460 -4.919 7.028 1.00 0.00 H new ATOM 0 HG12 VAL X 12 26.912 -4.519 8.674 1.00 0.00 H new ATOM 0 HG13 VAL X 12 28.104 -3.481 7.856 1.00 0.00 H new ATOM 0 HG21 VAL X 12 29.793 -5.706 6.644 1.00 0.00 H new ATOM 0 HG22 VAL X 12 30.413 -4.268 7.489 1.00 0.00 H new ATOM 0 HG23 VAL X 12 30.910 -5.893 8.017 1.00 0.00 H new ATOM 156 N ASP X 13 27.443 -5.440 11.287 1.00 0.00 N ATOM 157 CA ASP X 13 26.252 -5.222 12.094 1.00 0.00 C ATOM 158 C ASP X 13 26.596 -4.420 13.343 1.00 0.00 C ATOM 159 O ASP X 13 25.868 -3.506 13.727 1.00 0.00 O ATOM 160 CB ASP X 13 25.644 -6.569 12.494 1.00 0.00 C ATOM 161 CG ASP X 13 24.302 -6.356 13.189 1.00 0.00 C ATOM 162 OD1 ASP X 13 23.988 -5.218 13.492 1.00 0.00 O ATOM 163 OD2 ASP X 13 23.610 -7.335 13.407 1.00 0.00 O ATOM 0 H ASP X 13 27.713 -6.418 11.182 1.00 0.00 H new ATOM 0 HA ASP X 13 25.528 -4.659 11.505 1.00 0.00 H new ATOM 0 HB2 ASP X 13 25.509 -7.192 11.610 1.00 0.00 H new ATOM 0 HB3 ASP X 13 26.325 -7.101 13.158 1.00 0.00 H new ATOM 168 N ALA X 14 27.712 -4.771 13.977 1.00 0.00 N ATOM 169 CA ALA X 14 28.142 -4.079 15.185 1.00 0.00 C ATOM 170 C ALA X 14 28.411 -2.606 14.899 1.00 0.00 C ATOM 171 O ALA X 14 28.080 -1.741 15.708 1.00 0.00 O ATOM 172 CB ALA X 14 29.407 -4.727 15.741 1.00 0.00 C ATOM 0 H ALA X 14 28.330 -5.525 13.676 1.00 0.00 H new ATOM 0 HA ALA X 14 27.341 -4.154 15.921 1.00 0.00 H new ATOM 0 HB1 ALA X 14 29.719 -4.201 16.644 1.00 0.00 H new ATOM 0 HB2 ALA X 14 29.206 -5.771 15.980 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.201 -4.672 14.997 1.00 0.00 H new ATOM 178 N LEU X 15 29.015 -2.329 13.748 1.00 0.00 N ATOM 179 CA LEU X 15 29.324 -0.953 13.372 1.00 0.00 C ATOM 180 C LEU X 15 28.047 -0.131 13.246 1.00 0.00 C ATOM 181 O LEU X 15 27.982 1.003 13.719 1.00 0.00 O ATOM 182 CB LEU X 15 30.068 -0.946 12.034 1.00 0.00 C ATOM 183 CG LEU X 15 31.487 -1.484 12.227 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.095 -1.817 10.866 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.346 -0.410 12.896 1.00 0.00 C ATOM 0 H LEU X 15 29.298 -3.031 13.065 1.00 0.00 H new ATOM 0 HA LEU X 15 29.949 -0.511 14.147 1.00 0.00 H new ATOM 0 HB2 LEU X 15 29.533 -1.557 11.307 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.105 0.067 11.633 1.00 0.00 H new ATOM 0 HG LEU X 15 31.453 -2.379 12.848 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.106 -2.200 11.003 1.00 0.00 H new ATOM 0 HD12 LEU X 15 31.485 -2.572 10.370 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.128 -0.917 10.252 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.358 -0.789 13.036 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.375 0.478 12.265 1.00 0.00 H new ATOM 0 HD23 LEU X 15 31.918 -0.153 13.865 1.00 0.00 H new ATOM 197 N GLN X 16 27.031 -0.711 12.616 1.00 0.00 N ATOM 198 CA GLN X 16 25.760 -0.019 12.446 1.00 0.00 C ATOM 199 C GLN X 16 25.097 0.216 13.797 1.00 0.00 C ATOM 200 O GLN X 16 24.563 1.287 14.051 1.00 0.00 O ATOM 201 CB GLN X 16 24.831 -0.838 11.550 1.00 0.00 C ATOM 202 CG GLN X 16 23.550 -0.044 11.293 1.00 0.00 C ATOM 203 CD GLN X 16 22.666 -0.796 10.306 1.00 0.00 C ATOM 204 OE1 GLN X 16 23.022 -1.887 9.861 1.00 0.00 O ATOM 205 NE2 GLN X 16 21.532 -0.272 9.929 1.00 0.00 N ATOM 0 H GLN X 16 27.062 -1.650 12.218 1.00 0.00 H new ATOM 0 HA GLN X 16 25.952 0.945 11.976 1.00 0.00 H new ATOM 0 HB2 GLN X 16 25.326 -1.068 10.606 1.00 0.00 H new ATOM 0 HB3 GLN X 16 24.594 -1.790 12.025 1.00 0.00 H new ATOM 0 HG2 GLN X 16 23.014 0.112 12.229 1.00 0.00 H new ATOM 0 HG3 GLN X 16 23.795 0.942 10.898 1.00 0.00 H new ATOM 0 HE21 GLN X 16 21.240 0.632 10.300 1.00 0.00 H new ATOM 0 HE22 GLN X 16 20.938 -0.767 9.264 1.00 0.00 H new ATOM 214 N PHE X 17 25.136 -0.792 14.659 1.00 0.00 N ATOM 215 CA PHE X 17 24.545 -0.675 15.988 1.00 0.00 C ATOM 216 C PHE X 17 25.226 0.410 16.817 1.00 0.00 C ATOM 217 O PHE X 17 24.564 1.256 17.418 1.00 0.00 O ATOM 218 CB PHE X 17 24.664 -2.007 16.723 1.00 0.00 C ATOM 219 CG PHE X 17 24.306 -1.813 18.179 1.00 0.00 C ATOM 220 CD1 PHE X 17 22.967 -1.858 18.594 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.322 -1.586 19.118 1.00 0.00 C ATOM 222 CE1 PHE X 17 22.647 -1.677 19.944 1.00 0.00 C ATOM 223 CE2 PHE X 17 25.000 -1.403 20.468 1.00 0.00 C ATOM 224 CZ PHE X 17 23.663 -1.452 20.882 1.00 0.00 C ATOM 0 H PHE X 17 25.568 -1.695 14.464 1.00 0.00 H new ATOM 0 HA PHE X 17 23.498 -0.402 15.859 1.00 0.00 H new ATOM 0 HB2 PHE X 17 24.002 -2.745 16.270 1.00 0.00 H new ATOM 0 HB3 PHE X 17 25.679 -2.393 16.635 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.183 -2.032 17.872 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.353 -1.552 18.800 1.00 0.00 H new ATOM 0 HE1 PHE X 17 21.616 -1.711 20.263 1.00 0.00 H new ATOM 0 HE2 PHE X 17 25.783 -1.224 21.190 1.00 0.00 H new ATOM 0 HZ PHE X 17 23.415 -1.316 21.924 1.00 0.00 H new ATOM 234 N VAL X 18 26.555 0.353 16.875 1.00 0.00 N ATOM 235 CA VAL X 18 27.319 1.311 17.668 1.00 0.00 C ATOM 236 C VAL X 18 27.142 2.731 17.136 1.00 0.00 C ATOM 237 O VAL X 18 26.865 3.659 17.895 1.00 0.00 O ATOM 238 CB VAL X 18 28.802 0.942 17.627 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.614 2.034 18.320 1.00 0.00 C ATOM 240 CG2 VAL X 18 29.029 -0.396 18.338 1.00 0.00 C ATOM 0 H VAL X 18 27.121 -0.341 16.386 1.00 0.00 H new ATOM 0 HA VAL X 18 26.950 1.275 18.693 1.00 0.00 H new ATOM 0 HB VAL X 18 29.121 0.851 16.589 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.672 1.774 18.292 1.00 0.00 H new ATOM 0 HG12 VAL X 18 29.460 2.983 17.806 1.00 0.00 H new ATOM 0 HG13 VAL X 18 29.290 2.126 19.357 1.00 0.00 H new ATOM 0 HG21 VAL X 18 30.088 -0.651 18.304 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.708 -0.315 19.377 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.452 -1.175 17.840 1.00 0.00 H new ATOM 250 N CYS X 19 27.309 2.891 15.829 1.00 0.00 N ATOM 251 CA CYS X 19 27.175 4.203 15.203 1.00 0.00 C ATOM 252 C CYS X 19 25.720 4.659 15.230 1.00 0.00 C ATOM 253 O CYS X 19 25.428 5.837 15.431 1.00 0.00 O ATOM 254 CB CYS X 19 27.666 4.141 13.757 1.00 0.00 C ATOM 255 SG CYS X 19 29.451 3.803 13.721 1.00 0.00 S ATOM 0 H CYS X 19 27.536 2.134 15.184 1.00 0.00 H new ATOM 0 HA CYS X 19 27.779 4.918 15.761 1.00 0.00 H new ATOM 0 HB2 CYS X 19 27.129 3.363 13.215 1.00 0.00 H new ATOM 0 HB3 CYS X 19 27.456 5.084 13.252 1.00 0.00 H new ATOM 260 N GLY X 20 24.815 3.720 15.013 1.00 0.00 N ATOM 261 CA GLY X 20 23.393 4.035 14.995 1.00 0.00 C ATOM 262 C GLY X 20 23.069 4.986 13.852 1.00 0.00 C ATOM 263 O GLY X 20 23.439 4.738 12.703 1.00 0.00 O ATOM 0 H GLY X 20 25.036 2.738 14.847 1.00 0.00 H new ATOM 0 HA2 GLY X 20 22.813 3.118 14.888 1.00 0.00 H new ATOM 0 HA3 GLY X 20 23.103 4.486 15.944 1.00 0.00 H new ATOM 267 N ASP X 21 22.371 6.072 14.168 1.00 0.00 N ATOM 268 CA ASP X 21 21.991 7.051 13.155 1.00 0.00 C ATOM 269 C ASP X 21 23.229 7.638 12.484 1.00 0.00 C ATOM 270 O ASP X 21 23.183 8.039 11.321 1.00 0.00 O ATOM 271 CB ASP X 21 21.177 8.175 13.800 1.00 0.00 C ATOM 272 CG ASP X 21 19.799 7.656 14.197 1.00 0.00 C ATOM 273 OD1 ASP X 21 19.432 6.589 13.733 1.00 0.00 O ATOM 274 OD2 ASP X 21 19.133 8.331 14.964 1.00 0.00 O ATOM 0 H ASP X 21 22.058 6.296 15.113 1.00 0.00 H new ATOM 0 HA ASP X 21 21.387 6.550 12.399 1.00 0.00 H new ATOM 0 HB2 ASP X 21 21.699 8.556 14.678 1.00 0.00 H new ATOM 0 HB3 ASP X 21 21.075 9.008 13.104 1.00 0.00 H new ATOM 279 N ARG X 22 24.334 7.689 13.220 1.00 0.00 N ATOM 280 CA ARG X 22 25.574 8.233 12.678 1.00 0.00 C ATOM 281 C ARG X 22 26.047 7.407 11.484 1.00 0.00 C ATOM 282 O ARG X 22 26.538 7.951 10.498 1.00 0.00 O ATOM 283 CB ARG X 22 26.661 8.233 13.754 1.00 0.00 C ATOM 284 CG ARG X 22 26.319 9.272 14.822 1.00 0.00 C ATOM 285 CD ARG X 22 27.502 9.431 15.775 1.00 0.00 C ATOM 286 NE ARG X 22 27.719 8.188 16.508 1.00 0.00 N ATOM 287 CZ ARG X 22 27.015 7.878 17.603 1.00 0.00 C ATOM 288 NH1 ARG X 22 26.082 8.677 18.055 1.00 0.00 N ATOM 289 NH2 ARG X 22 27.255 6.758 18.225 1.00 0.00 N ATOM 0 H ARG X 22 24.397 7.364 14.185 1.00 0.00 H new ATOM 0 HA ARG X 22 25.384 9.255 12.350 1.00 0.00 H new ATOM 0 HB2 ARG X 22 26.741 7.244 14.206 1.00 0.00 H new ATOM 0 HB3 ARG X 22 27.630 8.459 13.308 1.00 0.00 H new ATOM 0 HG2 ARG X 22 26.085 10.228 14.353 1.00 0.00 H new ATOM 0 HG3 ARG X 22 25.432 8.963 15.375 1.00 0.00 H new ATOM 0 HD2 ARG X 22 28.399 9.694 15.215 1.00 0.00 H new ATOM 0 HD3 ARG X 22 27.311 10.246 16.473 1.00 0.00 H new ATOM 0 HE ARG X 22 28.429 7.535 16.176 1.00 0.00 H new ATOM 0 HH11 ARG X 22 25.882 9.552 17.571 1.00 0.00 H new ATOM 0 HH12 ARG X 22 25.555 8.424 18.891 1.00 0.00 H new ATOM 0 HH21 ARG X 22 27.975 6.125 17.876 1.00 0.00 H new ATOM 0 HH22 ARG X 22 26.723 6.514 19.060 1.00 0.00 H new ATOM 303 N GLY X 23 25.901 6.090 11.582 1.00 0.00 N ATOM 304 CA GLY X 23 26.320 5.205 10.499 1.00 0.00 C ATOM 305 C GLY X 23 27.840 5.067 10.468 1.00 0.00 C ATOM 306 O GLY X 23 28.541 5.623 11.312 1.00 0.00 O ATOM 0 H GLY X 23 25.500 5.615 12.391 1.00 0.00 H new ATOM 0 HA2 GLY X 23 25.864 4.223 10.629 1.00 0.00 H new ATOM 0 HA3 GLY X 23 25.967 5.597 9.545 1.00 0.00 H new ATOM 310 N PHE X 24 28.345 4.326 9.484 1.00 0.00 N ATOM 311 CA PHE X 24 29.786 4.129 9.352 1.00 0.00 C ATOM 312 C PHE X 24 30.162 3.896 7.893 1.00 0.00 C ATOM 313 O PHE X 24 29.312 3.558 7.070 1.00 0.00 O ATOM 314 CB PHE X 24 30.225 2.933 10.200 1.00 0.00 C ATOM 315 CG PHE X 24 29.618 1.671 9.646 1.00 0.00 C ATOM 316 CD1 PHE X 24 30.385 0.818 8.847 1.00 0.00 C ATOM 317 CD2 PHE X 24 28.283 1.360 9.925 1.00 0.00 C ATOM 318 CE1 PHE X 24 29.813 -0.345 8.321 1.00 0.00 C ATOM 319 CE2 PHE X 24 27.714 0.197 9.403 1.00 0.00 C ATOM 320 CZ PHE X 24 28.479 -0.657 8.603 1.00 0.00 C ATOM 0 H PHE X 24 27.784 3.856 8.773 1.00 0.00 H new ATOM 0 HA PHE X 24 30.295 5.027 9.703 1.00 0.00 H new ATOM 0 HB2 PHE X 24 31.312 2.855 10.202 1.00 0.00 H new ATOM 0 HB3 PHE X 24 29.914 3.074 11.235 1.00 0.00 H new ATOM 0 HD1 PHE X 24 31.417 1.057 8.636 1.00 0.00 H new ATOM 0 HD2 PHE X 24 27.693 2.019 10.544 1.00 0.00 H new ATOM 0 HE1 PHE X 24 30.401 -1.002 7.697 1.00 0.00 H new ATOM 0 HE2 PHE X 24 26.683 -0.043 9.617 1.00 0.00 H new ATOM 0 HZ PHE X 24 28.040 -1.559 8.202 1.00 0.00 H new ATOM 330 N TYR X 25 31.438 4.084 7.580 1.00 0.00 N ATOM 331 CA TYR X 25 31.913 3.893 6.213 1.00 0.00 C ATOM 332 C TYR X 25 33.367 3.437 6.213 1.00 0.00 C ATOM 333 O TYR X 25 34.074 3.591 7.209 1.00 0.00 O ATOM 334 CB TYR X 25 31.791 5.200 5.426 1.00 0.00 C ATOM 335 CG TYR X 25 32.742 6.224 5.997 1.00 0.00 C ATOM 336 CD1 TYR X 25 34.052 6.309 5.509 1.00 0.00 C ATOM 337 CD2 TYR X 25 32.318 7.089 7.013 1.00 0.00 C ATOM 338 CE1 TYR X 25 34.937 7.256 6.036 1.00 0.00 C ATOM 339 CE2 TYR X 25 33.203 8.039 7.539 1.00 0.00 C ATOM 340 CZ TYR X 25 34.513 8.121 7.050 1.00 0.00 C ATOM 341 OH TYR X 25 35.386 9.056 7.568 1.00 0.00 O ATOM 0 H TYR X 25 32.157 4.366 8.246 1.00 0.00 H new ATOM 0 HA TYR X 25 31.299 3.126 5.741 1.00 0.00 H new ATOM 0 HB2 TYR X 25 32.017 5.026 4.374 1.00 0.00 H new ATOM 0 HB3 TYR X 25 30.768 5.572 5.475 1.00 0.00 H new ATOM 0 HD1 TYR X 25 34.380 5.643 4.725 1.00 0.00 H new ATOM 0 HD2 TYR X 25 31.309 7.024 7.391 1.00 0.00 H new ATOM 0 HE1 TYR X 25 35.947 7.319 5.660 1.00 0.00 H new ATOM 0 HE2 TYR X 25 32.875 8.708 8.321 1.00 0.00 H new ATOM 0 HH TYR X 25 34.933 9.577 8.263 1.00 0.00 H new ATOM 613 N ILE X 44 41.258 -1.915 9.690 1.00 0.00 N ATOM 614 CA ILE X 44 40.241 -1.694 10.702 1.00 0.00 C ATOM 615 C ILE X 44 39.478 -2.988 10.983 1.00 0.00 C ATOM 616 O ILE X 44 39.299 -3.379 12.137 1.00 0.00 O ATOM 617 CB ILE X 44 39.269 -0.624 10.208 1.00 0.00 C ATOM 618 CG1 ILE X 44 39.985 0.731 10.149 1.00 0.00 C ATOM 619 CG2 ILE X 44 38.081 -0.539 11.158 1.00 0.00 C ATOM 620 CD1 ILE X 44 39.109 1.739 9.401 1.00 0.00 C ATOM 0 HA ILE X 44 40.720 -1.365 11.624 1.00 0.00 H new ATOM 0 HB ILE X 44 38.914 -0.886 9.211 1.00 0.00 H new ATOM 0 HG12 ILE X 44 40.191 1.090 11.157 1.00 0.00 H new ATOM 0 HG13 ILE X 44 40.946 0.625 9.646 1.00 0.00 H new ATOM 0 HG21 ILE X 44 37.387 0.224 10.806 1.00 0.00 H new ATOM 0 HG22 ILE X 44 37.573 -1.503 11.192 1.00 0.00 H new ATOM 0 HG23 ILE X 44 38.432 -0.278 12.156 1.00 0.00 H new ATOM 0 HD11 ILE X 44 39.618 2.702 9.359 1.00 0.00 H new ATOM 0 HD12 ILE X 44 38.926 1.381 8.388 1.00 0.00 H new ATOM 0 HD13 ILE X 44 38.159 1.853 9.923 1.00 0.00 H new ATOM 632 N VAL X 45 39.050 -3.654 9.911 1.00 0.00 N ATOM 633 CA VAL X 45 38.325 -4.916 10.041 1.00 0.00 C ATOM 634 C VAL X 45 39.209 -5.980 10.664 1.00 0.00 C ATOM 635 O VAL X 45 38.781 -6.714 11.550 1.00 0.00 O ATOM 636 CB VAL X 45 37.840 -5.395 8.674 1.00 0.00 C ATOM 637 CG1 VAL X 45 37.335 -6.837 8.794 1.00 0.00 C ATOM 638 CG2 VAL X 45 36.692 -4.492 8.210 1.00 0.00 C ATOM 0 H VAL X 45 39.192 -3.343 8.950 1.00 0.00 H new ATOM 0 HA VAL X 45 37.465 -4.745 10.689 1.00 0.00 H new ATOM 0 HB VAL X 45 38.657 -5.354 7.954 1.00 0.00 H new ATOM 0 HG11 VAL X 45 36.988 -7.183 7.820 1.00 0.00 H new ATOM 0 HG12 VAL X 45 38.146 -7.479 9.139 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.512 -6.876 9.508 1.00 0.00 H new ATOM 0 HG21 VAL X 45 36.338 -4.826 7.234 1.00 0.00 H new ATOM 0 HG22 VAL X 45 35.875 -4.544 8.929 1.00 0.00 H new ATOM 0 HG23 VAL X 45 37.045 -3.464 8.136 1.00 0.00 H new ATOM 648 N ASP X 46 40.440 -6.062 10.182 1.00 0.00 N ATOM 649 CA ASP X 46 41.382 -7.045 10.688 1.00 0.00 C ATOM 650 C ASP X 46 41.671 -6.810 12.164 1.00 0.00 C ATOM 651 O ASP X 46 41.828 -7.757 12.922 1.00 0.00 O ATOM 652 CB ASP X 46 42.687 -6.982 9.900 1.00 0.00 C ATOM 653 CG ASP X 46 42.480 -7.532 8.495 1.00 0.00 C ATOM 654 OD1 ASP X 46 41.451 -8.148 8.265 1.00 0.00 O ATOM 655 OD2 ASP X 46 43.353 -7.329 7.668 1.00 0.00 O ATOM 0 H ASP X 46 40.808 -5.462 9.444 1.00 0.00 H new ATOM 0 HA ASP X 46 40.934 -8.031 10.570 1.00 0.00 H new ATOM 0 HB2 ASP X 46 43.039 -5.952 9.847 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.458 -7.556 10.413 1.00 0.00 H new ATOM 660 N GLU X 47 41.773 -5.546 12.567 1.00 0.00 N ATOM 661 CA GLU X 47 42.079 -5.245 13.960 1.00 0.00 C ATOM 662 C GLU X 47 40.998 -5.799 14.888 1.00 0.00 C ATOM 663 O GLU X 47 41.304 -6.495 15.855 1.00 0.00 O ATOM 664 CB GLU X 47 42.156 -3.727 14.127 1.00 0.00 C ATOM 665 CG GLU X 47 42.482 -3.376 15.579 1.00 0.00 C ATOM 666 CD GLU X 47 43.851 -3.932 15.946 1.00 0.00 C ATOM 667 OE1 GLU X 47 44.623 -4.194 15.039 1.00 0.00 O ATOM 668 OE2 GLU X 47 44.107 -4.090 17.127 1.00 0.00 O ATOM 0 H GLU X 47 41.651 -4.732 11.964 1.00 0.00 H new ATOM 0 HA GLU X 47 43.029 -5.710 14.222 1.00 0.00 H new ATOM 0 HB2 GLU X 47 42.920 -3.318 13.465 1.00 0.00 H new ATOM 0 HB3 GLU X 47 41.208 -3.273 13.838 1.00 0.00 H new ATOM 0 HG2 GLU X 47 42.470 -2.294 15.713 1.00 0.00 H new ATOM 0 HG3 GLU X 47 41.722 -3.788 16.242 1.00 0.00 H new ATOM 675 N CYS X 48 39.738 -5.487 14.590 1.00 0.00 N ATOM 676 CA CYS X 48 38.633 -5.964 15.420 1.00 0.00 C ATOM 677 C CYS X 48 38.419 -7.462 15.243 1.00 0.00 C ATOM 678 O CYS X 48 38.136 -8.177 16.204 1.00 0.00 O ATOM 679 CB CYS X 48 37.345 -5.232 15.060 1.00 0.00 C ATOM 680 SG CYS X 48 37.494 -3.498 15.565 1.00 0.00 S ATOM 0 H CYS X 48 39.459 -4.915 13.793 1.00 0.00 H new ATOM 0 HA CYS X 48 38.892 -5.764 16.460 1.00 0.00 H new ATOM 0 HB2 CYS X 48 37.161 -5.298 13.988 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.495 -5.698 15.558 1.00 0.00 H new ATOM 685 N CYS X 49 38.529 -7.921 14.000 1.00 0.00 N ATOM 686 CA CYS X 49 38.321 -9.331 13.685 1.00 0.00 C ATOM 687 C CYS X 49 39.337 -10.203 14.412 1.00 0.00 C ATOM 688 O CYS X 49 38.978 -11.206 15.025 1.00 0.00 O ATOM 689 CB CYS X 49 38.444 -9.554 12.176 1.00 0.00 C ATOM 690 SG CYS X 49 38.138 -11.297 11.795 1.00 0.00 S ATOM 0 H CYS X 49 38.761 -7.338 13.195 1.00 0.00 H new ATOM 0 HA CYS X 49 37.320 -9.610 14.015 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.730 -8.924 11.645 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.438 -9.266 11.835 1.00 0.00 H new ATOM 695 N PHE X 50 40.605 -9.820 14.336 1.00 0.00 N ATOM 696 CA PHE X 50 41.656 -10.585 14.989 1.00 0.00 C ATOM 697 C PHE X 50 41.801 -10.152 16.445 1.00 0.00 C ATOM 698 O PHE X 50 41.461 -10.896 17.364 1.00 0.00 O ATOM 699 CB PHE X 50 42.972 -10.367 14.242 1.00 0.00 C ATOM 700 CG PHE X 50 42.949 -11.143 12.950 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.281 -10.608 11.841 1.00 0.00 C ATOM 702 CD2 PHE X 50 43.595 -12.381 12.849 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.257 -11.305 10.632 1.00 0.00 C ATOM 704 CE2 PHE X 50 43.572 -13.083 11.636 1.00 0.00 C ATOM 705 CZ PHE X 50 42.902 -12.546 10.527 1.00 0.00 C ATOM 0 H PHE X 50 40.927 -8.993 13.834 1.00 0.00 H new ATOM 0 HA PHE X 50 41.397 -11.644 14.970 1.00 0.00 H new ATOM 0 HB2 PHE X 50 43.116 -9.306 14.039 1.00 0.00 H new ATOM 0 HB3 PHE X 50 43.811 -10.691 14.858 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.783 -9.653 11.922 1.00 0.00 H new ATOM 0 HD2 PHE X 50 44.110 -12.794 13.704 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.742 -10.889 9.778 1.00 0.00 H new ATOM 0 HE2 PHE X 50 44.070 -14.038 11.555 1.00 0.00 H new ATOM 0 HZ PHE X 50 42.883 -13.088 9.593 1.00 0.00 H new ATOM 715 N ARG X 51 42.304 -8.937 16.640 1.00 0.00 N ATOM 716 CA ARG X 51 42.492 -8.395 17.982 1.00 0.00 C ATOM 717 C ARG X 51 41.175 -7.871 18.542 1.00 0.00 C ATOM 718 O ARG X 51 40.224 -7.636 17.797 1.00 0.00 O ATOM 719 CB ARG X 51 43.524 -7.266 17.955 1.00 0.00 C ATOM 720 CG ARG X 51 44.895 -7.843 17.609 1.00 0.00 C ATOM 721 CD ARG X 51 45.906 -6.706 17.459 1.00 0.00 C ATOM 722 NE ARG X 51 46.085 -6.012 18.731 1.00 0.00 N ATOM 723 CZ ARG X 51 46.823 -4.901 18.826 1.00 0.00 C ATOM 724 NH1 ARG X 51 47.414 -4.396 17.772 1.00 0.00 N ATOM 725 NH2 ARG X 51 46.956 -4.313 19.981 1.00 0.00 N ATOM 0 H ARG X 51 42.588 -8.310 15.888 1.00 0.00 H new ATOM 0 HA ARG X 51 42.852 -9.198 18.626 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.238 -6.514 17.220 1.00 0.00 H new ATOM 0 HB3 ARG X 51 43.560 -6.768 18.924 1.00 0.00 H new ATOM 0 HG2 ARG X 51 45.219 -8.531 18.390 1.00 0.00 H new ATOM 0 HG3 ARG X 51 44.837 -8.416 16.684 1.00 0.00 H new ATOM 0 HD2 ARG X 51 46.862 -7.103 17.117 1.00 0.00 H new ATOM 0 HD3 ARG X 51 45.563 -6.004 16.700 1.00 0.00 H new ATOM 0 HE ARG X 51 45.636 -6.384 19.568 1.00 0.00 H new ATOM 0 HH11 ARG X 51 47.314 -4.851 16.864 1.00 0.00 H new ATOM 0 HH12 ARG X 51 47.974 -3.548 17.859 1.00 0.00 H new ATOM 0 HH21 ARG X 51 46.499 -4.700 20.806 1.00 0.00 H new ATOM 0 HH22 ARG X 51 47.518 -3.465 20.060 1.00 0.00 H new ATOM 739 N SER X 52 41.121 -7.695 19.855 1.00 0.00 N ATOM 740 CA SER X 52 39.907 -7.200 20.489 1.00 0.00 C ATOM 741 C SER X 52 39.935 -5.679 20.578 1.00 0.00 C ATOM 742 O SER X 52 40.503 -5.113 21.513 1.00 0.00 O ATOM 743 CB SER X 52 39.780 -7.793 21.891 1.00 0.00 C ATOM 744 OG SER X 52 38.593 -7.306 22.501 1.00 0.00 O ATOM 0 H SER X 52 41.892 -7.885 20.495 1.00 0.00 H new ATOM 0 HA SER X 52 39.050 -7.501 19.886 1.00 0.00 H new ATOM 0 HB2 SER X 52 39.755 -8.881 21.837 1.00 0.00 H new ATOM 0 HB3 SER X 52 40.648 -7.524 22.492 1.00 0.00 H new ATOM 0 HG SER X 52 38.508 -7.686 23.400 1.00 0.00 H new ATOM 750 N CYS X 53 39.314 -5.020 19.602 1.00 0.00 N ATOM 751 CA CYS X 53 39.273 -3.565 19.585 1.00 0.00 C ATOM 752 C CYS X 53 38.173 -3.053 20.514 1.00 0.00 C ATOM 753 O CYS X 53 37.073 -3.604 20.549 1.00 0.00 O ATOM 754 CB CYS X 53 39.030 -3.066 18.153 1.00 0.00 C ATOM 755 SG CYS X 53 37.389 -3.582 17.586 1.00 0.00 S ATOM 0 H CYS X 53 38.837 -5.469 18.820 1.00 0.00 H new ATOM 0 HA CYS X 53 40.231 -3.182 19.938 1.00 0.00 H new ATOM 0 HB2 CYS X 53 39.110 -1.979 18.119 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.795 -3.463 17.486 1.00 0.00 H new ATOM 760 N ASP X 54 38.478 -1.997 21.261 1.00 0.00 N ATOM 761 CA ASP X 54 37.507 -1.418 22.185 1.00 0.00 C ATOM 762 C ASP X 54 36.330 -0.819 21.424 1.00 0.00 C ATOM 763 O ASP X 54 36.490 -0.291 20.324 1.00 0.00 O ATOM 764 CB ASP X 54 38.172 -0.333 23.034 1.00 0.00 C ATOM 765 CG ASP X 54 39.116 -0.969 24.047 1.00 0.00 C ATOM 766 OD1 ASP X 54 39.029 -2.172 24.237 1.00 0.00 O ATOM 767 OD2 ASP X 54 39.915 -0.246 24.619 1.00 0.00 O ATOM 0 H ASP X 54 39.383 -1.527 21.246 1.00 0.00 H new ATOM 0 HA ASP X 54 37.138 -2.212 22.834 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.723 0.355 22.393 1.00 0.00 H new ATOM 0 HB3 ASP X 54 37.412 0.253 23.551 1.00 0.00 H new ATOM 772 N LEU X 55 35.145 -0.904 22.017 1.00 0.00 N ATOM 773 CA LEU X 55 33.948 -0.365 21.387 1.00 0.00 C ATOM 774 C LEU X 55 34.065 1.146 21.230 1.00 0.00 C ATOM 775 O LEU X 55 33.650 1.711 20.218 1.00 0.00 O ATOM 776 CB LEU X 55 32.719 -0.699 22.237 1.00 0.00 C ATOM 777 CG LEU X 55 32.453 -2.206 22.186 1.00 0.00 C ATOM 778 CD1 LEU X 55 31.392 -2.568 23.229 1.00 0.00 C ATOM 779 CD2 LEU X 55 31.950 -2.598 20.792 1.00 0.00 C ATOM 0 H LEU X 55 34.989 -1.338 22.927 1.00 0.00 H new ATOM 0 HA LEU X 55 33.841 -0.815 20.400 1.00 0.00 H new ATOM 0 HB2 LEU X 55 32.880 -0.383 23.268 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.850 -0.154 21.868 1.00 0.00 H new ATOM 0 HG LEU X 55 33.377 -2.743 22.399 1.00 0.00 H new ATOM 0 HD11 LEU X 55 31.200 -3.640 23.196 1.00 0.00 H new ATOM 0 HD12 LEU X 55 31.749 -2.294 24.222 1.00 0.00 H new ATOM 0 HD13 LEU X 55 30.470 -2.027 23.013 1.00 0.00 H new ATOM 0 HD21 LEU X 55 31.762 -3.671 20.761 1.00 0.00 H new ATOM 0 HD22 LEU X 55 31.026 -2.062 20.574 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.703 -2.340 20.048 1.00 0.00 H new ATOM 791 N ARG X 56 34.634 1.799 22.235 1.00 0.00 N ATOM 792 CA ARG X 56 34.794 3.244 22.188 1.00 0.00 C ATOM 793 C ARG X 56 35.647 3.649 20.989 1.00 0.00 C ATOM 794 O ARG X 56 35.297 4.572 20.254 1.00 0.00 O ATOM 795 CB ARG X 56 35.451 3.738 23.478 1.00 0.00 C ATOM 796 CG ARG X 56 35.605 5.258 23.424 1.00 0.00 C ATOM 797 CD ARG X 56 36.132 5.764 24.769 1.00 0.00 C ATOM 798 NE ARG X 56 37.459 5.217 25.036 1.00 0.00 N ATOM 799 CZ ARG X 56 38.046 5.352 26.229 1.00 0.00 C ATOM 800 NH1 ARG X 56 37.445 5.982 27.206 1.00 0.00 N ATOM 801 NH2 ARG X 56 39.233 4.851 26.424 1.00 0.00 N ATOM 0 H ARG X 56 34.988 1.356 23.083 1.00 0.00 H new ATOM 0 HA ARG X 56 33.808 3.698 22.087 1.00 0.00 H new ATOM 0 HB2 ARG X 56 34.845 3.454 24.339 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.426 3.268 23.605 1.00 0.00 H new ATOM 0 HG2 ARG X 56 36.291 5.537 22.624 1.00 0.00 H new ATOM 0 HG3 ARG X 56 34.646 5.724 23.198 1.00 0.00 H new ATOM 0 HD2 ARG X 56 36.175 6.853 24.763 1.00 0.00 H new ATOM 0 HD3 ARG X 56 35.446 5.477 25.566 1.00 0.00 H new ATOM 0 HE ARG X 56 37.950 4.719 24.293 1.00 0.00 H new ATOM 0 HH11 ARG X 56 36.516 6.378 27.062 1.00 0.00 H new ATOM 0 HH12 ARG X 56 37.906 6.077 28.111 1.00 0.00 H new ATOM 0 HH21 ARG X 56 39.709 4.359 25.668 1.00 0.00 H new ATOM 0 HH22 ARG X 56 39.686 4.951 27.332 1.00 0.00 H new ATOM 815 N ARG X 57 36.761 2.955 20.792 1.00 0.00 N ATOM 816 CA ARG X 57 37.640 3.252 19.682 1.00 0.00 C ATOM 817 C ARG X 57 36.914 3.021 18.360 1.00 0.00 C ATOM 818 O ARG X 57 37.076 3.783 17.406 1.00 0.00 O ATOM 819 CB ARG X 57 38.868 2.356 19.762 1.00 0.00 C ATOM 820 CG ARG X 57 39.913 2.869 18.790 1.00 0.00 C ATOM 821 CD ARG X 57 41.189 2.047 18.943 1.00 0.00 C ATOM 822 NE ARG X 57 41.014 0.709 18.390 1.00 0.00 N ATOM 823 CZ ARG X 57 41.987 -0.205 18.452 1.00 0.00 C ATOM 824 NH1 ARG X 57 43.137 0.071 19.016 1.00 0.00 N ATOM 825 NH2 ARG X 57 41.791 -1.388 17.942 1.00 0.00 N ATOM 0 H ARG X 57 37.071 2.187 21.387 1.00 0.00 H new ATOM 0 HA ARG X 57 37.946 4.297 19.734 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.266 2.352 20.777 1.00 0.00 H new ATOM 0 HB3 ARG X 57 38.601 1.327 19.520 1.00 0.00 H new ATOM 0 HG2 ARG X 57 39.541 2.798 17.768 1.00 0.00 H new ATOM 0 HG3 ARG X 57 40.120 3.922 18.982 1.00 0.00 H new ATOM 0 HD2 ARG X 57 42.013 2.549 18.437 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.458 1.977 19.997 1.00 0.00 H new ATOM 0 HE ARG X 57 40.129 0.465 17.946 1.00 0.00 H new ATOM 0 HH11 ARG X 57 43.300 0.995 19.416 1.00 0.00 H new ATOM 0 HH12 ARG X 57 43.869 -0.638 19.055 1.00 0.00 H new ATOM 0 HH21 ARG X 57 40.900 -1.611 17.499 1.00 0.00 H new ATOM 0 HH22 ARG X 57 42.529 -2.091 17.986 1.00 0.00 H new ATOM 839 N LEU X 58 36.115 1.957 18.318 1.00 0.00 N ATOM 840 CA LEU X 58 35.363 1.614 17.118 1.00 0.00 C ATOM 841 C LEU X 58 34.406 2.743 16.745 1.00 0.00 C ATOM 842 O LEU X 58 34.116 2.958 15.572 1.00 0.00 O ATOM 843 CB LEU X 58 34.564 0.327 17.338 1.00 0.00 C ATOM 844 CG LEU X 58 34.072 -0.206 15.986 1.00 0.00 C ATOM 845 CD1 LEU X 58 35.205 -0.959 15.287 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.889 -1.150 16.206 1.00 0.00 C ATOM 0 H LEU X 58 35.973 1.319 19.101 1.00 0.00 H new ATOM 0 HA LEU X 58 36.074 1.463 16.306 1.00 0.00 H new ATOM 0 HB2 LEU X 58 35.186 -0.420 17.831 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.716 0.520 17.995 1.00 0.00 H new ATOM 0 HG LEU X 58 33.756 0.630 15.363 1.00 0.00 H new ATOM 0 HD11 LEU X 58 34.853 -1.337 14.327 1.00 0.00 H new ATOM 0 HD12 LEU X 58 36.045 -0.284 15.125 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.525 -1.794 15.910 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.541 -1.527 15.244 1.00 0.00 H new ATOM 0 HD22 LEU X 58 33.202 -1.986 16.832 1.00 0.00 H new ATOM 0 HD23 LEU X 58 32.080 -0.611 16.698 1.00 0.00 H new ATOM 858 N ASP X 59 33.910 3.451 17.754 1.00 0.00 N ATOM 859 CA ASP X 59 32.974 4.551 17.530 1.00 0.00 C ATOM 860 C ASP X 59 33.578 5.587 16.584 1.00 0.00 C ATOM 861 O ASP X 59 32.859 6.253 15.842 1.00 0.00 O ATOM 862 CB ASP X 59 32.627 5.222 18.861 1.00 0.00 C ATOM 863 CG ASP X 59 31.451 6.174 18.676 1.00 0.00 C ATOM 864 OD1 ASP X 59 31.027 6.351 17.546 1.00 0.00 O ATOM 865 OD2 ASP X 59 30.992 6.715 19.668 1.00 0.00 O ATOM 0 H ASP X 59 34.139 3.285 18.734 1.00 0.00 H new ATOM 0 HA ASP X 59 32.069 4.144 17.079 1.00 0.00 H new ATOM 0 HB2 ASP X 59 32.379 4.465 19.605 1.00 0.00 H new ATOM 0 HB3 ASP X 59 33.492 5.768 19.238 1.00 0.00 H new ATOM 870 N MET X 60 34.898 5.719 16.613 1.00 0.00 N ATOM 871 CA MET X 60 35.569 6.683 15.750 1.00 0.00 C ATOM 872 C MET X 60 35.322 6.355 14.281 1.00 0.00 C ATOM 873 O MET X 60 35.461 7.218 13.415 1.00 0.00 O ATOM 874 CB MET X 60 37.074 6.681 16.013 1.00 0.00 C ATOM 875 CG MET X 60 37.359 7.267 17.394 1.00 0.00 C ATOM 876 SD MET X 60 39.130 7.612 17.534 1.00 0.00 S ATOM 877 CE MET X 60 39.706 5.904 17.414 1.00 0.00 C ATOM 0 H MET X 60 35.518 5.179 17.216 1.00 0.00 H new ATOM 0 HA MET X 60 35.162 7.669 15.973 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.462 5.664 15.952 1.00 0.00 H new ATOM 0 HB3 MET X 60 37.587 7.264 15.248 1.00 0.00 H new ATOM 0 HG2 MET X 60 36.785 8.182 17.541 1.00 0.00 H new ATOM 0 HG3 MET X 60 37.049 6.568 18.171 1.00 0.00 H new ATOM 0 HE1 MET X 60 40.668 5.808 17.918 1.00 0.00 H new ATOM 0 HE2 MET X 60 38.981 5.242 17.887 1.00 0.00 H new ATOM 0 HE3 MET X 60 39.817 5.630 16.365 1.00 0.00 H new ATOM 887 N TYR X 61 34.952 5.110 13.999 1.00 0.00 N ATOM 888 CA TYR X 61 34.694 4.702 12.623 1.00 0.00 C ATOM 889 C TYR X 61 33.337 5.226 12.143 1.00 0.00 C ATOM 890 O TYR X 61 33.003 5.119 10.962 1.00 0.00 O ATOM 891 CB TYR X 61 34.731 3.172 12.521 1.00 0.00 C ATOM 892 CG TYR X 61 36.136 2.681 12.762 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.353 1.696 13.730 1.00 0.00 C ATOM 894 CD2 TYR X 61 37.219 3.214 12.052 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.645 1.239 13.991 1.00 0.00 C ATOM 896 CE2 TYR X 61 38.516 2.756 12.312 1.00 0.00 C ATOM 897 CZ TYR X 61 38.730 1.769 13.282 1.00 0.00 C ATOM 898 OH TYR X 61 40.009 1.318 13.541 1.00 0.00 O ATOM 0 H TYR X 61 34.825 4.375 14.695 1.00 0.00 H new ATOM 0 HA TYR X 61 35.469 5.127 11.985 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.052 2.733 13.251 1.00 0.00 H new ATOM 0 HB3 TYR X 61 34.389 2.855 11.536 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.517 1.287 14.278 1.00 0.00 H new ATOM 0 HD2 TYR X 61 37.054 3.977 11.305 1.00 0.00 H new ATOM 0 HE1 TYR X 61 37.808 0.477 14.739 1.00 0.00 H new ATOM 0 HE2 TYR X 61 39.352 3.164 11.764 1.00 0.00 H new ATOM 0 HH TYR X 61 39.973 0.384 13.835 1.00 0.00 H new ATOM 908 N CYS X 62 32.554 5.786 13.066 1.00 0.00 N ATOM 909 CA CYS X 62 31.239 6.312 12.725 1.00 0.00 C ATOM 910 C CYS X 62 31.375 7.567 11.871 1.00 0.00 C ATOM 911 O CYS X 62 32.318 8.340 12.034 1.00 0.00 O ATOM 912 CB CYS X 62 30.473 6.644 14.006 1.00 0.00 C ATOM 913 SG CYS X 62 30.267 5.143 14.994 1.00 0.00 S ATOM 0 H CYS X 62 32.809 5.885 14.049 1.00 0.00 H new ATOM 0 HA CYS X 62 30.694 5.558 12.157 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.012 7.398 14.579 1.00 0.00 H new ATOM 0 HB3 CYS X 62 29.499 7.067 13.760 1.00 0.00 H new ATOM 918 N ALA X 63 30.428 7.763 10.963 1.00 0.00 N ATOM 919 CA ALA X 63 30.446 8.917 10.090 1.00 0.00 C ATOM 920 C ALA X 63 30.082 10.181 10.871 1.00 0.00 C ATOM 921 O ALA X 63 29.525 10.107 11.966 1.00 0.00 O ATOM 922 CB ALA X 63 29.460 8.710 8.937 1.00 0.00 C ATOM 0 H ALA X 63 29.639 7.134 10.816 1.00 0.00 H new ATOM 0 HA ALA X 63 31.451 9.036 9.685 1.00 0.00 H new ATOM 0 HB1 ALA X 63 29.477 9.582 8.283 1.00 0.00 H new ATOM 0 HB2 ALA X 63 29.745 7.824 8.369 1.00 0.00 H new ATOM 0 HB3 ALA X 63 28.455 8.577 9.337 1.00 0.00 H new