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= -0.0361 K(o=-0.036,f=-1.6!) 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 155:sc= -0.0877 (180deg=-0.864) USER MOD Single : X 61 TYR OH : rot 90:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 60 N LEU X 6 34.419 -10.380 17.348 1.00 0.00 N ATOM 61 CA LEU X 6 33.575 -9.915 16.255 1.00 0.00 C ATOM 62 C LEU X 6 34.353 -9.916 14.943 1.00 0.00 C ATOM 63 O LEU X 6 35.386 -9.258 14.821 1.00 0.00 O ATOM 64 CB LEU X 6 33.081 -8.499 16.554 1.00 0.00 C ATOM 65 CG LEU X 6 32.338 -8.485 17.893 1.00 0.00 C ATOM 66 CD1 LEU X 6 31.937 -7.047 18.241 1.00 0.00 C ATOM 67 CD2 LEU X 6 31.081 -9.356 17.788 1.00 0.00 C ATOM 0 HA LEU X 6 32.723 -10.589 16.160 1.00 0.00 H new ATOM 0 HB2 LEU X 6 33.924 -7.809 16.587 1.00 0.00 H new ATOM 0 HB3 LEU X 6 32.421 -8.158 15.757 1.00 0.00 H new ATOM 0 HG LEU X 6 32.989 -8.879 18.674 1.00 0.00 H new ATOM 0 HD11 LEU X 6 31.408 -7.037 19.194 1.00 0.00 H new ATOM 0 HD12 LEU X 6 32.831 -6.428 18.316 1.00 0.00 H new ATOM 0 HD13 LEU X 6 31.286 -6.652 17.461 1.00 0.00 H new ATOM 0 HD21 LEU X 6 30.551 -9.347 18.741 1.00 0.00 H new ATOM 0 HD22 LEU X 6 30.430 -8.963 17.007 1.00 0.00 H new ATOM 0 HD23 LEU X 6 31.367 -10.379 17.542 1.00 0.00 H new ATOM 79 N CYS X 7 33.849 -10.661 13.964 1.00 0.00 N ATOM 80 CA CYS X 7 34.504 -10.740 12.664 1.00 0.00 C ATOM 81 C CYS X 7 33.533 -11.258 11.607 1.00 0.00 C ATOM 82 O CYS X 7 32.796 -12.215 11.845 1.00 0.00 O ATOM 83 CB CYS X 7 35.715 -11.668 12.749 1.00 0.00 C ATOM 84 SG CYS X 7 36.643 -11.592 11.197 1.00 0.00 S ATOM 0 H CYS X 7 32.996 -11.214 14.045 1.00 0.00 H new ATOM 0 HA CYS X 7 34.832 -9.740 12.379 1.00 0.00 H new ATOM 0 HB2 CYS X 7 36.354 -11.374 13.582 1.00 0.00 H new ATOM 0 HB3 CYS X 7 35.390 -12.691 12.941 1.00 0.00 H new ATOM 89 N GLY X 8 33.539 -10.624 10.439 1.00 0.00 N ATOM 90 CA GLY X 8 32.653 -11.035 9.357 1.00 0.00 C ATOM 91 C GLY X 8 31.410 -10.155 9.300 1.00 0.00 C ATOM 92 O GLY X 8 31.462 -8.966 9.617 1.00 0.00 O ATOM 0 H GLY X 8 34.142 -9.831 10.219 1.00 0.00 H new ATOM 0 HA2 GLY X 8 33.185 -10.980 8.407 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.360 -12.075 9.499 1.00 0.00 H new ATOM 96 N ALA X 9 30.294 -10.746 8.890 1.00 0.00 N ATOM 97 CA ALA X 9 29.040 -10.008 8.792 1.00 0.00 C ATOM 98 C ALA X 9 28.633 -9.460 10.157 1.00 0.00 C ATOM 99 O ALA X 9 28.117 -8.347 10.260 1.00 0.00 O ATOM 100 CB ALA X 9 27.935 -10.918 8.255 1.00 0.00 C ATOM 0 H ALA X 9 30.231 -11.728 8.621 1.00 0.00 H new ATOM 0 HA ALA X 9 29.186 -9.174 8.106 1.00 0.00 H new ATOM 0 HB1 ALA X 9 27.003 -10.357 8.186 1.00 0.00 H new ATOM 0 HB2 ALA X 9 28.213 -11.283 7.266 1.00 0.00 H new ATOM 0 HB3 ALA X 9 27.800 -11.764 8.929 1.00 0.00 H new ATOM 106 N GLU X 10 28.865 -10.249 11.200 1.00 0.00 N ATOM 107 CA GLU X 10 28.513 -9.830 12.552 1.00 0.00 C ATOM 108 C GLU X 10 29.270 -8.562 12.931 1.00 0.00 C ATOM 109 O GLU X 10 28.713 -7.658 13.555 1.00 0.00 O ATOM 110 CB GLU X 10 28.852 -10.944 13.545 1.00 0.00 C ATOM 111 CG GLU X 10 27.888 -12.115 13.349 1.00 0.00 C ATOM 112 CD GLU X 10 28.336 -13.307 14.188 1.00 0.00 C ATOM 113 OE1 GLU X 10 29.463 -13.286 14.657 1.00 0.00 O ATOM 114 OE2 GLU X 10 27.547 -14.222 14.351 1.00 0.00 O ATOM 0 H GLU X 10 29.291 -11.174 11.137 1.00 0.00 H new ATOM 0 HA GLU X 10 27.443 -9.625 12.585 1.00 0.00 H new ATOM 0 HB2 GLU X 10 29.879 -11.277 13.397 1.00 0.00 H new ATOM 0 HB3 GLU X 10 28.782 -10.569 14.566 1.00 0.00 H new ATOM 0 HG2 GLU X 10 26.879 -11.818 13.635 1.00 0.00 H new ATOM 0 HG3 GLU X 10 27.852 -12.394 12.296 1.00 0.00 H new ATOM 121 N LEU X 11 30.540 -8.496 12.550 1.00 0.00 N ATOM 122 CA LEU X 11 31.355 -7.327 12.857 1.00 0.00 C ATOM 123 C LEU X 11 30.768 -6.081 12.206 1.00 0.00 C ATOM 124 O LEU X 11 30.645 -5.031 12.841 1.00 0.00 O ATOM 125 CB LEU X 11 32.784 -7.542 12.354 1.00 0.00 C ATOM 126 CG LEU X 11 33.630 -6.293 12.629 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.717 -6.054 14.136 1.00 0.00 C ATOM 128 CD2 LEU X 11 35.034 -6.494 12.061 1.00 0.00 C ATOM 0 H LEU X 11 31.024 -9.230 12.033 1.00 0.00 H new ATOM 0 HA LEU X 11 31.367 -7.188 13.938 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.226 -8.407 12.848 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.774 -7.756 11.285 1.00 0.00 H new ATOM 0 HG LEU X 11 33.166 -5.429 12.153 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.319 -5.166 14.329 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.715 -5.908 14.540 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.179 -6.917 14.615 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.636 -5.606 12.256 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.498 -7.359 12.535 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.971 -6.660 10.986 1.00 0.00 H new ATOM 140 N VAL X 12 30.401 -6.203 10.935 1.00 0.00 N ATOM 141 CA VAL X 12 29.824 -5.080 10.207 1.00 0.00 C ATOM 142 C VAL X 12 28.531 -4.620 10.866 1.00 0.00 C ATOM 143 O VAL X 12 28.269 -3.420 10.991 1.00 0.00 O ATOM 144 CB VAL X 12 29.555 -5.480 8.756 1.00 0.00 C ATOM 145 CG1 VAL X 12 28.623 -4.450 8.106 1.00 0.00 C ATOM 146 CG2 VAL X 12 30.881 -5.501 7.988 1.00 0.00 C ATOM 0 H VAL X 12 30.492 -7.061 10.391 1.00 0.00 H new ATOM 0 HA VAL X 12 30.536 -4.255 10.226 1.00 0.00 H new ATOM 0 HB VAL X 12 29.090 -6.466 8.730 1.00 0.00 H new ATOM 0 HG11 VAL X 12 28.431 -4.735 7.072 1.00 0.00 H new ATOM 0 HG12 VAL X 12 27.681 -4.415 8.654 1.00 0.00 H new ATOM 0 HG13 VAL X 12 29.094 -3.467 8.130 1.00 0.00 H new ATOM 0 HG21 VAL X 12 30.697 -5.786 6.952 1.00 0.00 H new ATOM 0 HG22 VAL X 12 31.334 -4.510 8.017 1.00 0.00 H new ATOM 0 HG23 VAL X 12 31.556 -6.222 8.448 1.00 0.00 H new ATOM 156 N ASP X 13 27.720 -5.583 11.286 1.00 0.00 N ATOM 157 CA ASP X 13 26.450 -5.270 11.929 1.00 0.00 C ATOM 158 C ASP X 13 26.684 -4.464 13.204 1.00 0.00 C ATOM 159 O ASP X 13 25.967 -3.505 13.484 1.00 0.00 O ATOM 160 CB ASP X 13 25.703 -6.564 12.266 1.00 0.00 C ATOM 161 CG ASP X 13 24.309 -6.244 12.796 1.00 0.00 C ATOM 162 OD1 ASP X 13 24.032 -5.076 13.018 1.00 0.00 O ATOM 163 OD2 ASP X 13 23.536 -7.172 12.971 1.00 0.00 O ATOM 0 H ASP X 13 27.917 -6.580 11.194 1.00 0.00 H new ATOM 0 HA ASP X 13 25.849 -4.675 11.241 1.00 0.00 H new ATOM 0 HB2 ASP X 13 25.627 -7.191 11.378 1.00 0.00 H new ATOM 0 HB3 ASP X 13 26.262 -7.132 13.010 1.00 0.00 H new ATOM 168 N ALA X 14 27.695 -4.859 13.971 1.00 0.00 N ATOM 169 CA ALA X 14 28.015 -4.163 15.211 1.00 0.00 C ATOM 170 C ALA X 14 28.398 -2.715 14.926 1.00 0.00 C ATOM 171 O ALA X 14 28.022 -1.808 15.669 1.00 0.00 O ATOM 172 CB ALA X 14 29.167 -4.866 15.927 1.00 0.00 C ATOM 0 H ALA X 14 28.302 -5.651 13.758 1.00 0.00 H new ATOM 0 HA ALA X 14 27.132 -4.177 15.850 1.00 0.00 H new ATOM 0 HB1 ALA X 14 29.397 -4.337 16.852 1.00 0.00 H new ATOM 0 HB2 ALA X 14 28.880 -5.892 16.157 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.047 -4.871 15.283 1.00 0.00 H new ATOM 178 N LEU X 15 29.143 -2.506 13.845 1.00 0.00 N ATOM 179 CA LEU X 15 29.569 -1.162 13.471 1.00 0.00 C ATOM 180 C LEU X 15 28.363 -0.284 13.163 1.00 0.00 C ATOM 181 O LEU X 15 28.320 0.881 13.560 1.00 0.00 O ATOM 182 CB LEU X 15 30.482 -1.231 12.243 1.00 0.00 C ATOM 183 CG LEU X 15 31.834 -1.824 12.641 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.599 -2.244 11.383 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.651 -0.766 13.389 1.00 0.00 C ATOM 0 H LEU X 15 29.462 -3.244 13.217 1.00 0.00 H new ATOM 0 HA LEU X 15 30.115 -0.726 14.307 1.00 0.00 H new ATOM 0 HB2 LEU X 15 30.020 -1.842 11.468 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.620 -0.234 11.824 1.00 0.00 H new ATOM 0 HG LEU X 15 31.674 -2.691 13.281 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.563 -2.667 11.667 1.00 0.00 H new ATOM 0 HD12 LEU X 15 32.022 -2.991 10.838 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.758 -1.374 10.746 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.616 -1.186 13.674 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.808 0.097 12.742 1.00 0.00 H new ATOM 0 HD23 LEU X 15 32.112 -0.455 14.284 1.00 0.00 H new ATOM 197 N GLN X 16 27.389 -0.850 12.456 1.00 0.00 N ATOM 198 CA GLN X 16 26.186 -0.106 12.106 1.00 0.00 C ATOM 199 C GLN X 16 25.409 0.267 13.362 1.00 0.00 C ATOM 200 O GLN X 16 24.907 1.379 13.482 1.00 0.00 O ATOM 201 CB GLN X 16 25.300 -0.948 11.190 1.00 0.00 C ATOM 202 CG GLN X 16 25.970 -1.090 9.824 1.00 0.00 C ATOM 203 CD GLN X 16 25.215 -2.106 8.976 1.00 0.00 C ATOM 204 OE1 GLN X 16 24.601 -3.028 9.512 1.00 0.00 O ATOM 205 NE2 GLN X 16 25.226 -1.992 7.676 1.00 0.00 N ATOM 0 H GLN X 16 27.409 -1.812 12.118 1.00 0.00 H new ATOM 0 HA GLN X 16 26.481 0.806 11.587 1.00 0.00 H new ATOM 0 HB2 GLN X 16 25.134 -1.931 11.630 1.00 0.00 H new ATOM 0 HB3 GLN X 16 24.322 -0.479 11.080 1.00 0.00 H new ATOM 0 HG2 GLN X 16 25.990 -0.125 9.318 1.00 0.00 H new ATOM 0 HG3 GLN X 16 27.006 -1.406 9.949 1.00 0.00 H new ATOM 0 HE21 GLN X 16 25.736 -1.226 7.235 1.00 0.00 H new ATOM 0 HE22 GLN X 16 24.724 -2.668 7.100 1.00 0.00 H new ATOM 214 N PHE X 17 25.320 -0.672 14.298 1.00 0.00 N ATOM 215 CA PHE X 17 24.614 -0.425 15.552 1.00 0.00 C ATOM 216 C PHE X 17 25.293 0.669 16.367 1.00 0.00 C ATOM 217 O PHE X 17 24.645 1.607 16.833 1.00 0.00 O ATOM 218 CB PHE X 17 24.562 -1.707 16.380 1.00 0.00 C ATOM 219 CG PHE X 17 24.119 -1.385 17.788 1.00 0.00 C ATOM 220 CD1 PHE X 17 22.755 -1.296 18.100 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.082 -1.169 18.785 1.00 0.00 C ATOM 222 CE1 PHE X 17 22.355 -0.993 19.409 1.00 0.00 C ATOM 223 CE2 PHE X 17 24.681 -0.866 20.090 1.00 0.00 C ATOM 224 CZ PHE X 17 23.318 -0.780 20.404 1.00 0.00 C ATOM 0 H PHE X 17 25.724 -1.605 14.214 1.00 0.00 H new ATOM 0 HA PHE X 17 23.604 -0.097 15.306 1.00 0.00 H new ATOM 0 HB2 PHE X 17 23.872 -2.418 15.925 1.00 0.00 H new ATOM 0 HB3 PHE X 17 25.543 -2.181 16.396 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.013 -1.461 17.333 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.133 -1.237 18.545 1.00 0.00 H new ATOM 0 HE1 PHE X 17 21.305 -0.924 19.650 1.00 0.00 H new ATOM 0 HE2 PHE X 17 25.423 -0.698 20.857 1.00 0.00 H new ATOM 0 HZ PHE X 17 23.010 -0.549 21.413 1.00 0.00 H new ATOM 234 N VAL X 18 26.602 0.529 16.555 1.00 0.00 N ATOM 235 CA VAL X 18 27.355 1.496 17.343 1.00 0.00 C ATOM 236 C VAL X 18 27.316 2.876 16.694 1.00 0.00 C ATOM 237 O VAL X 18 27.047 3.879 17.357 1.00 0.00 O ATOM 238 CB VAL X 18 28.811 1.037 17.474 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.633 2.126 18.161 1.00 0.00 C ATOM 240 CG2 VAL X 18 28.873 -0.248 18.303 1.00 0.00 C ATOM 0 H VAL X 18 27.158 -0.238 16.176 1.00 0.00 H new ATOM 0 HA VAL X 18 26.898 1.562 18.330 1.00 0.00 H new ATOM 0 HB VAL X 18 29.218 0.848 16.481 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.668 1.797 18.253 1.00 0.00 H new ATOM 0 HG12 VAL X 18 29.594 3.040 17.568 1.00 0.00 H new ATOM 0 HG13 VAL X 18 29.224 2.319 19.153 1.00 0.00 H new ATOM 0 HG21 VAL X 18 29.910 -0.572 18.395 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.462 -0.061 19.295 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.291 -1.027 17.810 1.00 0.00 H new ATOM 250 N CYS X 19 27.595 2.923 15.399 1.00 0.00 N ATOM 251 CA CYS X 19 27.601 4.185 14.673 1.00 0.00 C ATOM 252 C CYS X 19 26.187 4.746 14.555 1.00 0.00 C ATOM 253 O CYS X 19 25.976 5.954 14.651 1.00 0.00 O ATOM 254 CB CYS X 19 28.190 3.973 13.280 1.00 0.00 C ATOM 255 SG CYS X 19 29.890 3.356 13.415 1.00 0.00 S ATOM 0 H CYS X 19 27.819 2.106 14.832 1.00 0.00 H new ATOM 0 HA CYS X 19 28.212 4.900 15.223 1.00 0.00 H new ATOM 0 HB2 CYS X 19 27.580 3.263 12.722 1.00 0.00 H new ATOM 0 HB3 CYS X 19 28.177 4.910 12.724 1.00 0.00 H new ATOM 260 N GLY X 20 25.226 3.857 14.342 1.00 0.00 N ATOM 261 CA GLY X 20 23.832 4.262 14.207 1.00 0.00 C ATOM 262 C GLY X 20 23.478 4.493 12.741 1.00 0.00 C ATOM 263 O GLY X 20 24.257 4.167 11.846 1.00 0.00 O ATOM 0 H GLY X 20 25.385 2.853 14.259 1.00 0.00 H new ATOM 0 HA2 GLY X 20 23.182 3.494 14.627 1.00 0.00 H new ATOM 0 HA3 GLY X 20 23.656 5.174 14.777 1.00 0.00 H new ATOM 267 N ASP X 21 22.297 5.056 12.506 1.00 0.00 N ATOM 268 CA ASP X 21 21.847 5.332 11.147 1.00 0.00 C ATOM 269 C ASP X 21 22.784 6.322 10.456 1.00 0.00 C ATOM 270 O ASP X 21 22.729 6.492 9.238 1.00 0.00 O ATOM 271 CB ASP X 21 20.427 5.901 11.169 1.00 0.00 C ATOM 272 CG ASP X 21 19.813 5.821 9.775 1.00 0.00 C ATOM 273 OD1 ASP X 21 20.398 5.168 8.927 1.00 0.00 O ATOM 274 OD2 ASP X 21 18.766 6.415 9.576 1.00 0.00 O ATOM 0 H ASP X 21 21.638 5.329 13.235 1.00 0.00 H new ATOM 0 HA ASP X 21 21.854 4.395 10.589 1.00 0.00 H new ATOM 0 HB2 ASP X 21 19.814 5.345 11.878 1.00 0.00 H new ATOM 0 HB3 ASP X 21 20.446 6.937 11.508 1.00 0.00 H new ATOM 279 N ARG X 22 23.635 6.980 11.240 1.00 0.00 N ATOM 280 CA ARG X 22 24.567 7.954 10.693 1.00 0.00 C ATOM 281 C ARG X 22 25.498 7.291 9.684 1.00 0.00 C ATOM 282 O ARG X 22 25.842 7.883 8.662 1.00 0.00 O ATOM 283 CB ARG X 22 25.396 8.568 11.822 1.00 0.00 C ATOM 284 CG ARG X 22 24.480 9.355 12.759 1.00 0.00 C ATOM 285 CD ARG X 22 25.324 10.102 13.792 1.00 0.00 C ATOM 286 NE ARG X 22 26.055 11.186 13.146 1.00 0.00 N ATOM 287 CZ ARG X 22 25.452 12.333 12.822 1.00 0.00 C ATOM 288 NH1 ARG X 22 24.179 12.511 13.074 1.00 0.00 N ATOM 289 NH2 ARG X 22 26.133 13.286 12.246 1.00 0.00 N ATOM 0 H ARG X 22 23.696 6.855 12.250 1.00 0.00 H new ATOM 0 HA ARG X 22 23.998 8.736 10.190 1.00 0.00 H new ATOM 0 HB2 ARG X 22 25.913 7.784 12.376 1.00 0.00 H new ATOM 0 HB3 ARG X 22 26.162 9.225 11.409 1.00 0.00 H new ATOM 0 HG2 ARG X 22 23.878 10.061 12.187 1.00 0.00 H new ATOM 0 HG3 ARG X 22 23.788 8.679 13.260 1.00 0.00 H new ATOM 0 HD2 ARG X 22 24.683 10.502 14.578 1.00 0.00 H new ATOM 0 HD3 ARG X 22 26.022 9.415 14.269 1.00 0.00 H new ATOM 0 HE ARG X 22 27.046 11.066 12.937 1.00 0.00 H new ATOM 0 HH11 ARG X 22 23.639 11.770 13.521 1.00 0.00 H new ATOM 0 HH12 ARG X 22 23.727 13.390 12.823 1.00 0.00 H new ATOM 0 HH21 ARG X 22 27.124 13.154 12.044 1.00 0.00 H new ATOM 0 HH22 ARG X 22 25.674 14.162 11.998 1.00 0.00 H new ATOM 303 N GLY X 23 25.906 6.060 9.978 1.00 0.00 N ATOM 304 CA GLY X 23 26.801 5.332 9.086 1.00 0.00 C ATOM 305 C GLY X 23 28.249 5.443 9.556 1.00 0.00 C ATOM 306 O GLY X 23 28.527 5.959 10.639 1.00 0.00 O ATOM 0 H GLY X 23 25.634 5.550 10.819 1.00 0.00 H new ATOM 0 HA2 GLY X 23 26.507 4.283 9.046 1.00 0.00 H new ATOM 0 HA3 GLY X 23 26.712 5.727 8.074 1.00 0.00 H new ATOM 310 N PHE X 24 29.167 4.946 8.735 1.00 0.00 N ATOM 311 CA PHE X 24 30.588 4.981 9.069 1.00 0.00 C ATOM 312 C PHE X 24 31.443 4.899 7.815 1.00 0.00 C ATOM 313 O PHE X 24 30.941 4.616 6.727 1.00 0.00 O ATOM 314 CB PHE X 24 30.929 3.832 10.012 1.00 0.00 C ATOM 315 CG PHE X 24 30.498 2.526 9.399 1.00 0.00 C ATOM 316 CD1 PHE X 24 31.380 1.806 8.591 1.00 0.00 C ATOM 317 CD2 PHE X 24 29.209 2.039 9.640 1.00 0.00 C ATOM 318 CE1 PHE X 24 30.973 0.598 8.021 1.00 0.00 C ATOM 319 CE2 PHE X 24 28.804 0.832 9.071 1.00 0.00 C ATOM 320 CZ PHE X 24 29.684 0.110 8.262 1.00 0.00 C ATOM 0 H PHE X 24 28.955 4.515 7.835 1.00 0.00 H new ATOM 0 HA PHE X 24 30.801 5.928 9.565 1.00 0.00 H new ATOM 0 HB2 PHE X 24 32.001 3.816 10.208 1.00 0.00 H new ATOM 0 HB3 PHE X 24 30.431 3.976 10.971 1.00 0.00 H new ATOM 0 HD1 PHE X 24 32.375 2.183 8.407 1.00 0.00 H new ATOM 0 HD2 PHE X 24 28.528 2.597 10.266 1.00 0.00 H new ATOM 0 HE1 PHE X 24 31.653 0.040 7.394 1.00 0.00 H new ATOM 0 HE2 PHE X 24 27.809 0.455 9.256 1.00 0.00 H new ATOM 0 HZ PHE X 24 29.370 -0.825 7.822 1.00 0.00 H new ATOM 330 N TYR X 25 32.737 5.156 7.972 1.00 0.00 N ATOM 331 CA TYR X 25 33.654 5.119 6.840 1.00 0.00 C ATOM 332 C TYR X 25 34.955 4.424 7.224 1.00 0.00 C ATOM 333 O TYR X 25 35.224 4.196 8.403 1.00 0.00 O ATOM 334 CB TYR X 25 33.961 6.542 6.369 1.00 0.00 C ATOM 335 CG TYR X 25 34.760 7.263 7.429 1.00 0.00 C ATOM 336 CD1 TYR X 25 36.159 7.205 7.409 1.00 0.00 C ATOM 337 CD2 TYR X 25 34.104 7.984 8.433 1.00 0.00 C ATOM 338 CE1 TYR X 25 36.901 7.868 8.389 1.00 0.00 C ATOM 339 CE2 TYR X 25 34.846 8.650 9.415 1.00 0.00 C ATOM 340 CZ TYR X 25 36.246 8.592 9.394 1.00 0.00 C ATOM 341 OH TYR X 25 36.979 9.250 10.362 1.00 0.00 O ATOM 0 H TYR X 25 33.171 5.390 8.865 1.00 0.00 H new ATOM 0 HA TYR X 25 33.179 4.560 6.034 1.00 0.00 H new ATOM 0 HB2 TYR X 25 34.520 6.514 5.434 1.00 0.00 H new ATOM 0 HB3 TYR X 25 33.033 7.079 6.170 1.00 0.00 H new ATOM 0 HD1 TYR X 25 36.665 6.647 6.635 1.00 0.00 H new ATOM 0 HD2 TYR X 25 33.025 8.026 8.450 1.00 0.00 H new ATOM 0 HE1 TYR X 25 37.980 7.823 8.372 1.00 0.00 H new ATOM 0 HE2 TYR X 25 34.340 9.208 10.189 1.00 0.00 H new ATOM 0 HH TYR X 25 36.370 9.704 10.981 1.00 0.00 H new ATOM 613 N ILE X 44 39.562 -1.382 9.650 1.00 0.00 N ATOM 614 CA ILE X 44 38.942 -1.533 10.961 1.00 0.00 C ATOM 615 C ILE X 44 38.467 -2.967 11.161 1.00 0.00 C ATOM 616 O ILE X 44 38.433 -3.466 12.289 1.00 0.00 O ATOM 617 CB ILE X 44 37.757 -0.570 11.090 1.00 0.00 C ATOM 618 CG1 ILE X 44 36.661 -0.962 10.091 1.00 0.00 C ATOM 619 CG2 ILE X 44 38.226 0.856 10.794 1.00 0.00 C ATOM 620 CD1 ILE X 44 35.453 -0.042 10.265 1.00 0.00 C ATOM 0 HA ILE X 44 39.681 -1.299 11.727 1.00 0.00 H new ATOM 0 HB ILE X 44 37.359 -0.622 12.103 1.00 0.00 H new ATOM 0 HG12 ILE X 44 37.041 -0.890 9.072 1.00 0.00 H new ATOM 0 HG13 ILE X 44 36.366 -1.999 10.248 1.00 0.00 H new ATOM 0 HG21 ILE X 44 37.384 1.542 10.885 1.00 0.00 H new ATOM 0 HG22 ILE X 44 39.003 1.138 11.504 1.00 0.00 H new ATOM 0 HG23 ILE X 44 38.626 0.905 9.781 1.00 0.00 H new ATOM 0 HD11 ILE X 44 34.676 -0.323 9.554 1.00 0.00 H new ATOM 0 HD12 ILE X 44 35.067 -0.136 11.280 1.00 0.00 H new ATOM 0 HD13 ILE X 44 35.753 0.990 10.085 1.00 0.00 H new ATOM 632 N VAL X 45 38.099 -3.618 10.059 1.00 0.00 N ATOM 633 CA VAL X 45 37.624 -4.995 10.120 1.00 0.00 C ATOM 634 C VAL X 45 38.712 -5.925 10.621 1.00 0.00 C ATOM 635 O VAL X 45 38.475 -6.749 11.502 1.00 0.00 O ATOM 636 CB VAL X 45 37.161 -5.455 8.738 1.00 0.00 C ATOM 637 CG1 VAL X 45 36.930 -6.970 8.754 1.00 0.00 C ATOM 638 CG2 VAL X 45 35.850 -4.748 8.383 1.00 0.00 C ATOM 0 H VAL X 45 38.121 -3.217 9.122 1.00 0.00 H new ATOM 0 HA VAL X 45 36.786 -5.029 10.817 1.00 0.00 H new ATOM 0 HB VAL X 45 37.923 -5.210 7.998 1.00 0.00 H new ATOM 0 HG11 VAL X 45 36.600 -7.298 7.768 1.00 0.00 H new ATOM 0 HG12 VAL X 45 37.860 -7.477 9.013 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.166 -7.214 9.492 1.00 0.00 H new ATOM 0 HG21 VAL X 45 35.516 -5.073 7.398 1.00 0.00 H new ATOM 0 HG22 VAL X 45 35.090 -4.997 9.124 1.00 0.00 H new ATOM 0 HG23 VAL X 45 36.009 -3.670 8.374 1.00 0.00 H new ATOM 648 N ASP X 46 39.903 -5.789 10.054 1.00 0.00 N ATOM 649 CA ASP X 46 41.028 -6.622 10.450 1.00 0.00 C ATOM 650 C ASP X 46 41.420 -6.356 11.895 1.00 0.00 C ATOM 651 O ASP X 46 41.775 -7.276 12.624 1.00 0.00 O ATOM 652 CB ASP X 46 42.230 -6.358 9.544 1.00 0.00 C ATOM 653 CG ASP X 46 41.991 -6.966 8.167 1.00 0.00 C ATOM 654 OD1 ASP X 46 41.055 -7.740 8.039 1.00 0.00 O ATOM 655 OD2 ASP X 46 42.745 -6.650 7.264 1.00 0.00 O ATOM 0 H ASP X 46 40.114 -5.112 9.321 1.00 0.00 H new ATOM 0 HA ASP X 46 40.721 -7.664 10.354 1.00 0.00 H new ATOM 0 HB2 ASP X 46 42.397 -5.285 9.452 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.130 -6.784 9.987 1.00 0.00 H new ATOM 660 N GLU X 47 41.371 -5.092 12.304 1.00 0.00 N ATOM 661 CA GLU X 47 41.754 -4.749 13.668 1.00 0.00 C ATOM 662 C GLU X 47 40.848 -5.432 14.687 1.00 0.00 C ATOM 663 O GLU X 47 41.335 -6.075 15.616 1.00 0.00 O ATOM 664 CB GLU X 47 41.646 -3.231 13.849 1.00 0.00 C ATOM 665 CG GLU X 47 42.065 -2.847 15.268 1.00 0.00 C ATOM 666 CD GLU X 47 42.023 -1.331 15.434 1.00 0.00 C ATOM 667 OE1 GLU X 47 41.706 -0.656 14.467 1.00 0.00 O ATOM 668 OE2 GLU X 47 42.309 -0.867 16.525 1.00 0.00 O ATOM 0 H GLU X 47 41.077 -4.305 11.726 1.00 0.00 H new ATOM 0 HA GLU X 47 42.777 -5.088 13.833 1.00 0.00 H new ATOM 0 HB2 GLU X 47 42.281 -2.723 13.123 1.00 0.00 H new ATOM 0 HB3 GLU X 47 40.623 -2.905 13.661 1.00 0.00 H new ATOM 0 HG2 GLU X 47 41.401 -3.319 15.992 1.00 0.00 H new ATOM 0 HG3 GLU X 47 43.071 -3.215 15.471 1.00 0.00 H new ATOM 675 N CYS X 48 39.538 -5.299 14.503 1.00 0.00 N ATOM 676 CA CYS X 48 38.580 -5.917 15.413 1.00 0.00 C ATOM 677 C CYS X 48 38.550 -7.433 15.236 1.00 0.00 C ATOM 678 O CYS X 48 38.470 -8.187 16.204 1.00 0.00 O ATOM 679 CB CYS X 48 37.184 -5.353 15.166 1.00 0.00 C ATOM 680 SG CYS X 48 37.158 -3.613 15.646 1.00 0.00 S ATOM 0 H CYS X 48 39.118 -4.772 13.737 1.00 0.00 H new ATOM 0 HA CYS X 48 38.894 -5.691 16.432 1.00 0.00 H new ATOM 0 HB2 CYS X 48 36.917 -5.457 14.114 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.445 -5.913 15.740 1.00 0.00 H new ATOM 685 N CYS X 49 38.607 -7.872 13.981 1.00 0.00 N ATOM 686 CA CYS X 49 38.572 -9.294 13.671 1.00 0.00 C ATOM 687 C CYS X 49 39.745 -10.019 14.311 1.00 0.00 C ATOM 688 O CYS X 49 39.570 -11.051 14.963 1.00 0.00 O ATOM 689 CB CYS X 49 38.615 -9.502 12.153 1.00 0.00 C ATOM 690 SG CYS X 49 38.549 -11.274 11.780 1.00 0.00 S ATOM 0 H CYS X 49 38.677 -7.263 13.166 1.00 0.00 H new ATOM 0 HA CYS X 49 37.645 -9.704 14.072 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.776 -8.989 11.682 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.526 -9.067 11.742 1.00 0.00 H new ATOM 695 N PHE X 50 40.946 -9.476 14.128 1.00 0.00 N ATOM 696 CA PHE X 50 42.138 -10.090 14.697 1.00 0.00 C ATOM 697 C PHE X 50 42.312 -9.665 16.150 1.00 0.00 C ATOM 698 O PHE X 50 42.111 -10.460 17.074 1.00 0.00 O ATOM 699 CB PHE X 50 43.365 -9.665 13.880 1.00 0.00 C ATOM 700 CG PHE X 50 43.377 -10.421 12.569 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.509 -10.035 11.539 1.00 0.00 C ATOM 702 CD2 PHE X 50 44.257 -11.492 12.382 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.518 -10.719 10.320 1.00 0.00 C ATOM 704 CE2 PHE X 50 44.267 -12.179 11.163 1.00 0.00 C ATOM 705 CZ PHE X 50 43.397 -11.794 10.132 1.00 0.00 C ATOM 0 H PHE X 50 41.117 -8.622 13.596 1.00 0.00 H new ATOM 0 HA PHE X 50 42.032 -11.174 14.663 1.00 0.00 H new ATOM 0 HB2 PHE X 50 43.339 -8.591 13.694 1.00 0.00 H new ATOM 0 HB3 PHE X 50 44.278 -9.869 14.440 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.831 -9.207 11.687 1.00 0.00 H new ATOM 0 HD2 PHE X 50 44.927 -11.788 13.176 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.850 -10.420 9.526 1.00 0.00 H new ATOM 0 HE2 PHE X 50 44.945 -13.006 11.016 1.00 0.00 H new ATOM 0 HZ PHE X 50 43.405 -12.327 9.193 1.00 0.00 H new ATOM 715 N ARG X 51 42.682 -8.403 16.350 1.00 0.00 N ATOM 716 CA ARG X 51 42.882 -7.879 17.697 1.00 0.00 C ATOM 717 C ARG X 51 41.545 -7.491 18.323 1.00 0.00 C ATOM 718 O ARG X 51 40.546 -7.328 17.623 1.00 0.00 O ATOM 719 CB ARG X 51 43.799 -6.655 17.655 1.00 0.00 C ATOM 720 CG ARG X 51 45.162 -7.062 17.091 1.00 0.00 C ATOM 721 CD ARG X 51 46.077 -5.841 17.047 1.00 0.00 C ATOM 722 NE ARG X 51 46.424 -5.414 18.398 1.00 0.00 N ATOM 723 CZ ARG X 51 47.087 -4.277 18.617 1.00 0.00 C ATOM 724 NH1 ARG X 51 47.443 -3.510 17.617 1.00 0.00 N ATOM 725 NH2 ARG X 51 47.386 -3.926 19.837 1.00 0.00 N ATOM 0 H ARG X 51 42.848 -7.729 15.603 1.00 0.00 H new ATOM 0 HA ARG X 51 43.345 -8.658 18.303 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.355 -5.875 17.036 1.00 0.00 H new ATOM 0 HB3 ARG X 51 43.916 -6.240 18.656 1.00 0.00 H new ATOM 0 HG2 ARG X 51 45.606 -7.841 17.710 1.00 0.00 H new ATOM 0 HG3 ARG X 51 45.044 -7.478 16.091 1.00 0.00 H new ATOM 0 HD2 ARG X 51 46.983 -6.078 16.490 1.00 0.00 H new ATOM 0 HD3 ARG X 51 45.582 -5.027 16.518 1.00 0.00 H new ATOM 0 HE ARG X 51 46.154 -5.996 19.191 1.00 0.00 H new ATOM 0 HH11 ARG X 51 47.214 -3.780 16.660 1.00 0.00 H new ATOM 0 HH12 ARG X 51 47.950 -2.643 17.795 1.00 0.00 H new ATOM 0 HH21 ARG X 51 47.113 -4.520 20.620 1.00 0.00 H new ATOM 0 HH22 ARG X 51 47.893 -3.057 20.008 1.00 0.00 H new ATOM 739 N SER X 52 41.529 -7.344 19.640 1.00 0.00 N ATOM 740 CA SER X 52 40.302 -6.971 20.333 1.00 0.00 C ATOM 741 C SER X 52 40.183 -5.452 20.416 1.00 0.00 C ATOM 742 O SER X 52 40.819 -4.815 21.254 1.00 0.00 O ATOM 743 CB SER X 52 40.305 -7.562 21.743 1.00 0.00 C ATOM 744 OG SER X 52 39.152 -7.117 22.443 1.00 0.00 O ATOM 0 H SER X 52 42.340 -7.475 20.245 1.00 0.00 H new ATOM 0 HA SER X 52 39.451 -7.363 19.776 1.00 0.00 H new ATOM 0 HB2 SER X 52 40.316 -8.651 21.693 1.00 0.00 H new ATOM 0 HB3 SER X 52 41.207 -7.258 22.275 1.00 0.00 H new ATOM 0 HG SER X 52 39.151 -7.496 23.347 1.00 0.00 H new ATOM 750 N CYS X 53 39.361 -4.878 19.541 1.00 0.00 N ATOM 751 CA CYS X 53 39.167 -3.434 19.528 1.00 0.00 C ATOM 752 C CYS X 53 38.080 -3.032 20.519 1.00 0.00 C ATOM 753 O CYS X 53 37.029 -3.670 20.599 1.00 0.00 O ATOM 754 CB CYS X 53 38.780 -2.977 18.119 1.00 0.00 C ATOM 755 SG CYS X 53 37.167 -3.668 17.668 1.00 0.00 S ATOM 0 H CYS X 53 38.824 -5.387 18.839 1.00 0.00 H new ATOM 0 HA CYS X 53 40.100 -2.953 19.821 1.00 0.00 H new ATOM 0 HB2 CYS X 53 38.743 -1.888 18.078 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.536 -3.298 17.403 1.00 0.00 H new ATOM 760 N ASP X 54 38.341 -1.972 21.275 1.00 0.00 N ATOM 761 CA ASP X 54 37.381 -1.490 22.262 1.00 0.00 C ATOM 762 C ASP X 54 36.193 -0.816 21.583 1.00 0.00 C ATOM 763 O ASP X 54 36.317 -0.270 20.486 1.00 0.00 O ATOM 764 CB ASP X 54 38.056 -0.501 23.214 1.00 0.00 C ATOM 765 CG ASP X 54 39.023 -1.241 24.133 1.00 0.00 C ATOM 766 OD1 ASP X 54 38.977 -2.460 24.150 1.00 0.00 O ATOM 767 OD2 ASP X 54 39.792 -0.577 24.807 1.00 0.00 O ATOM 0 H ASP X 54 39.205 -1.432 21.224 1.00 0.00 H new ATOM 0 HA ASP X 54 37.018 -2.348 22.827 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.592 0.258 22.644 1.00 0.00 H new ATOM 0 HB3 ASP X 54 37.303 0.018 23.807 1.00 0.00 H new ATOM 772 N LEU X 55 35.041 -0.854 22.241 1.00 0.00 N ATOM 773 CA LEU X 55 33.839 -0.240 21.690 1.00 0.00 C ATOM 774 C LEU X 55 34.033 1.265 21.534 1.00 0.00 C ATOM 775 O LEU X 55 33.603 1.857 20.546 1.00 0.00 O ATOM 776 CB LEU X 55 32.648 -0.512 22.611 1.00 0.00 C ATOM 777 CG LEU X 55 32.280 -1.998 22.553 1.00 0.00 C ATOM 778 CD1 LEU X 55 31.269 -2.318 23.657 1.00 0.00 C ATOM 779 CD2 LEU X 55 31.663 -2.322 21.185 1.00 0.00 C ATOM 0 H LEU X 55 34.913 -1.300 23.150 1.00 0.00 H new ATOM 0 HA LEU X 55 33.645 -0.673 20.709 1.00 0.00 H new ATOM 0 HB2 LEU X 55 32.895 -0.228 23.634 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.795 0.096 22.308 1.00 0.00 H new ATOM 0 HG LEU X 55 33.178 -2.599 22.697 1.00 0.00 H new ATOM 0 HD11 LEU X 55 31.007 -3.375 23.615 1.00 0.00 H new ATOM 0 HD12 LEU X 55 31.707 -2.091 24.629 1.00 0.00 H new ATOM 0 HD13 LEU X 55 30.371 -1.716 23.514 1.00 0.00 H new ATOM 0 HD21 LEU X 55 31.402 -3.379 21.145 1.00 0.00 H new ATOM 0 HD22 LEU X 55 30.766 -1.721 21.039 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.383 -2.096 20.398 1.00 0.00 H new ATOM 791 N ARG X 56 34.684 1.880 22.517 1.00 0.00 N ATOM 792 CA ARG X 56 34.925 3.317 22.470 1.00 0.00 C ATOM 793 C ARG X 56 35.753 3.684 21.238 1.00 0.00 C ATOM 794 O ARG X 56 35.405 4.608 20.504 1.00 0.00 O ATOM 795 CB ARG X 56 35.660 3.759 23.737 1.00 0.00 C ATOM 796 CG ARG X 56 35.884 5.271 23.692 1.00 0.00 C ATOM 797 CD ARG X 56 36.551 5.721 24.988 1.00 0.00 C ATOM 798 NE ARG X 56 36.813 7.155 24.955 1.00 0.00 N ATOM 799 CZ ARG X 56 37.370 7.782 25.992 1.00 0.00 C ATOM 800 NH1 ARG X 56 37.697 7.119 27.074 1.00 0.00 N ATOM 801 NH2 ARG X 56 37.592 9.066 25.930 1.00 0.00 N ATOM 0 H ARG X 56 35.050 1.412 23.346 1.00 0.00 H new ATOM 0 HA ARG X 56 33.965 3.829 22.409 1.00 0.00 H new ATOM 0 HB2 ARG X 56 35.079 3.492 24.620 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.616 3.241 23.816 1.00 0.00 H new ATOM 0 HG2 ARG X 56 36.509 5.532 22.838 1.00 0.00 H new ATOM 0 HG3 ARG X 56 34.933 5.787 23.561 1.00 0.00 H new ATOM 0 HD2 ARG X 56 35.910 5.482 25.836 1.00 0.00 H new ATOM 0 HD3 ARG X 56 37.485 5.178 25.131 1.00 0.00 H new ATOM 0 HE ARG X 56 36.565 7.689 24.122 1.00 0.00 H new ATOM 0 HH11 ARG X 56 37.526 6.115 27.128 1.00 0.00 H new ATOM 0 HH12 ARG X 56 38.123 7.607 27.862 1.00 0.00 H new ATOM 0 HH21 ARG X 56 37.340 9.587 25.090 1.00 0.00 H new ATOM 0 HH22 ARG X 56 38.018 9.549 26.721 1.00 0.00 H new ATOM 815 N ARG X 57 36.839 2.944 21.012 1.00 0.00 N ATOM 816 CA ARG X 57 37.696 3.185 19.869 1.00 0.00 C ATOM 817 C ARG X 57 36.928 2.913 18.578 1.00 0.00 C ATOM 818 O ARG X 57 37.106 3.606 17.586 1.00 0.00 O ATOM 819 CB ARG X 57 38.933 2.288 19.940 1.00 0.00 C ATOM 820 CG ARG X 57 39.895 2.679 18.836 1.00 0.00 C ATOM 821 CD ARG X 57 41.215 1.938 19.037 1.00 0.00 C ATOM 822 NE ARG X 57 41.954 1.889 17.790 1.00 0.00 N ATOM 823 CZ ARG X 57 43.253 1.568 17.760 1.00 0.00 C ATOM 824 NH1 ARG X 57 43.896 1.294 18.868 1.00 0.00 N ATOM 825 NH2 ARG X 57 43.891 1.518 16.618 1.00 0.00 N ATOM 0 H ARG X 57 37.139 2.174 21.610 1.00 0.00 H new ATOM 0 HA ARG X 57 38.016 4.227 19.881 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.415 2.389 20.912 1.00 0.00 H new ATOM 0 HB3 ARG X 57 38.645 1.242 19.835 1.00 0.00 H new ATOM 0 HG2 ARG X 57 39.470 2.433 17.863 1.00 0.00 H new ATOM 0 HG3 ARG X 57 40.063 3.756 18.848 1.00 0.00 H new ATOM 0 HD2 ARG X 57 41.809 2.439 19.801 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.022 0.926 19.395 1.00 0.00 H new ATOM 0 HE ARG X 57 41.473 2.104 16.917 1.00 0.00 H new ATOM 0 HH11 ARG X 57 43.407 1.324 19.762 1.00 0.00 H new ATOM 0 HH12 ARG X 57 44.886 1.050 18.836 1.00 0.00 H new ATOM 0 HH21 ARG X 57 43.398 1.724 15.749 1.00 0.00 H new ATOM 0 HH22 ARG X 57 44.881 1.273 16.597 1.00 0.00 H new ATOM 839 N LEU X 58 36.084 1.888 18.603 1.00 0.00 N ATOM 840 CA LEU X 58 35.305 1.522 17.425 1.00 0.00 C ATOM 841 C LEU X 58 34.433 2.693 16.974 1.00 0.00 C ATOM 842 O LEU X 58 34.185 2.869 15.780 1.00 0.00 O ATOM 843 CB LEU X 58 34.415 0.320 17.736 1.00 0.00 C ATOM 844 CG LEU X 58 33.998 -0.364 16.429 1.00 0.00 C ATOM 845 CD1 LEU X 58 35.206 -1.097 15.830 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.881 -1.371 16.712 1.00 0.00 C ATOM 0 H LEU X 58 35.922 1.299 19.420 1.00 0.00 H new ATOM 0 HA LEU X 58 35.998 1.264 16.624 1.00 0.00 H new ATOM 0 HB2 LEU X 58 34.949 -0.385 18.373 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.532 0.642 18.287 1.00 0.00 H new ATOM 0 HG LEU X 58 33.640 0.387 15.724 1.00 0.00 H new ATOM 0 HD11 LEU X 58 34.912 -1.584 14.900 1.00 0.00 H new ATOM 0 HD12 LEU X 58 36.003 -0.381 15.628 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.563 -1.847 16.536 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.585 -1.857 15.782 1.00 0.00 H new ATOM 0 HD22 LEU X 58 33.238 -2.122 17.416 1.00 0.00 H new ATOM 0 HD23 LEU X 58 32.023 -0.852 17.139 1.00 0.00 H new ATOM 858 N ASP X 59 33.965 3.478 17.935 1.00 0.00 N ATOM 859 CA ASP X 59 33.118 4.628 17.633 1.00 0.00 C ATOM 860 C ASP X 59 33.869 5.650 16.778 1.00 0.00 C ATOM 861 O ASP X 59 33.257 6.484 16.113 1.00 0.00 O ATOM 862 CB ASP X 59 32.645 5.288 18.927 1.00 0.00 C ATOM 863 CG ASP X 59 31.496 6.247 18.631 1.00 0.00 C ATOM 864 OD1 ASP X 59 31.128 6.361 17.473 1.00 0.00 O ATOM 865 OD2 ASP X 59 31.004 6.855 19.566 1.00 0.00 O ATOM 0 H ASP X 59 34.156 3.342 18.928 1.00 0.00 H new ATOM 0 HA ASP X 59 32.254 4.273 17.071 1.00 0.00 H new ATOM 0 HB2 ASP X 59 32.321 4.527 19.636 1.00 0.00 H new ATOM 0 HB3 ASP X 59 33.470 5.827 19.393 1.00 0.00 H new ATOM 870 N MET X 60 35.194 5.589 16.806 1.00 0.00 N ATOM 871 CA MET X 60 36.014 6.520 16.035 1.00 0.00 C ATOM 872 C MET X 60 35.764 6.349 14.538 1.00 0.00 C ATOM 873 O MET X 60 35.818 7.312 13.778 1.00 0.00 O ATOM 874 CB MET X 60 37.490 6.285 16.331 1.00 0.00 C ATOM 875 CG MET X 60 37.793 6.699 17.772 1.00 0.00 C ATOM 876 SD MET X 60 39.496 6.246 18.181 1.00 0.00 S ATOM 877 CE MET X 60 40.314 7.446 17.102 1.00 0.00 C ATOM 0 H MET X 60 35.724 4.909 17.351 1.00 0.00 H new ATOM 0 HA MET X 60 35.740 7.535 16.325 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.739 5.234 16.183 1.00 0.00 H new ATOM 0 HB3 MET X 60 38.107 6.859 15.639 1.00 0.00 H new ATOM 0 HG2 MET X 60 37.652 7.773 17.891 1.00 0.00 H new ATOM 0 HG3 MET X 60 37.100 6.209 18.456 1.00 0.00 H new ATOM 0 HE1 MET X 60 41.309 7.665 17.490 1.00 0.00 H new ATOM 0 HE2 MET X 60 40.399 7.033 16.097 1.00 0.00 H new ATOM 0 HE3 MET X 60 39.727 8.364 17.068 1.00 0.00 H new ATOM 887 N TYR X 61 35.503 5.116 14.124 1.00 0.00 N ATOM 888 CA TYR X 61 35.249 4.826 12.716 1.00 0.00 C ATOM 889 C TYR X 61 33.851 5.289 12.303 1.00 0.00 C ATOM 890 O TYR X 61 33.533 5.314 11.119 1.00 0.00 O ATOM 891 CB TYR X 61 35.383 3.328 12.461 1.00 0.00 C ATOM 892 CG TYR X 61 36.637 2.815 13.125 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.563 1.788 14.071 1.00 0.00 C ATOM 894 CD2 TYR X 61 37.880 3.369 12.792 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.730 1.316 14.687 1.00 0.00 C ATOM 896 CE2 TYR X 61 39.048 2.898 13.408 1.00 0.00 C ATOM 897 CZ TYR X 61 38.972 1.869 14.354 1.00 0.00 C ATOM 898 OH TYR X 61 40.120 1.403 14.960 1.00 0.00 O ATOM 0 H TYR X 61 35.461 4.303 14.739 1.00 0.00 H new ATOM 0 HA TYR X 61 35.984 5.368 12.121 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.511 2.802 12.851 1.00 0.00 H new ATOM 0 HB3 TYR X 61 35.420 3.133 11.389 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.606 1.358 14.327 1.00 0.00 H new ATOM 0 HD2 TYR X 61 37.939 4.160 12.059 1.00 0.00 H new ATOM 0 HE1 TYR X 61 37.671 0.525 15.420 1.00 0.00 H new ATOM 0 HE2 TYR X 61 40.005 3.328 13.153 1.00 0.00 H new ATOM 0 HH TYR X 61 40.487 0.659 14.438 1.00 0.00 H new ATOM 908 N CYS X 62 33.026 5.668 13.279 1.00 0.00 N ATOM 909 CA CYS X 62 31.677 6.135 12.990 1.00 0.00 C ATOM 910 C CYS X 62 31.717 7.557 12.431 1.00 0.00 C ATOM 911 O CYS X 62 32.717 8.261 12.579 1.00 0.00 O ATOM 912 CB CYS X 62 30.838 6.110 14.267 1.00 0.00 C ATOM 913 SG CYS X 62 30.748 4.417 14.904 1.00 0.00 S ATOM 0 H CYS X 62 33.269 5.660 14.270 1.00 0.00 H new ATOM 0 HA CYS X 62 31.229 5.475 12.247 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.278 6.768 15.016 1.00 0.00 H new ATOM 0 HB3 CYS X 62 29.835 6.486 14.063 1.00 0.00 H new ATOM 918 N ALA X 63 30.628 7.970 11.787 1.00 0.00 N ATOM 919 CA ALA X 63 30.552 9.294 11.209 1.00 0.00 C ATOM 920 C ALA X 63 30.536 10.354 12.309 1.00 0.00 C ATOM 921 O ALA X 63 30.260 10.056 13.470 1.00 0.00 O ATOM 922 CB ALA X 63 29.286 9.414 10.357 1.00 0.00 C ATOM 0 H ALA X 63 29.791 7.402 11.656 1.00 0.00 H new ATOM 0 HA ALA X 63 31.428 9.454 10.581 1.00 0.00 H new ATOM 0 HB1 ALA X 63 29.232 10.413 9.923 1.00 0.00 H new ATOM 0 HB2 ALA X 63 29.313 8.673 9.558 1.00 0.00 H new ATOM 0 HB3 ALA X 63 28.409 9.242 10.982 1.00 0.00 H new