USER MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 339 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 Set 1.1: A 45 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 40 CYS SG : rot -147:sc= -0.0352 USER MOD Set 2.2: A 43 CYS SG : rot 180:sc= 0.258 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 130:sc= -0.326 USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.23) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 74:sc= 1.2 USER MOD Single : A 38 MET CE :methyl -176:sc= 0 (180deg=-0.00611) USER MOD Single : A 39 HIS : no HE2:sc= 0.977 K(o=0.98,f=-3!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= 0.406 K(o=0.41,f=-2.4!) USER MOD Single : A 50 ASN : amide:sc= 0.447 K(o=0.45,f=-5!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 139 N SER A 10 14.932 -32.390 3.000 1.00 10.00 N ATOM 140 CA SER A 10 15.564 -31.127 2.606 1.00 10.00 C ATOM 141 C SER A 10 15.730 -31.167 1.077 1.00 10.00 C ATOM 142 O SER A 10 15.479 -32.209 0.457 1.00 10.00 O ATOM 143 CB SER A 10 16.937 -30.979 3.283 1.00 10.00 C ATOM 144 OG SER A 10 16.792 -30.640 4.653 1.00 10.00 O ATOM 0 HA SER A 10 14.953 -30.278 2.912 1.00 10.00 H new ATOM 0 HB2 SER A 10 17.494 -31.911 3.192 1.00 10.00 H new ATOM 0 HB3 SER A 10 17.517 -30.210 2.773 1.00 10.00 H new ATOM 0 HG SER A 10 17.677 -30.553 5.064 1.00 10.00 H new ATOM 150 N ARG A 11 16.190 -30.076 0.445 1.00 10.00 N ATOM 151 CA ARG A 11 16.395 -30.034 -1.020 1.00 10.00 C ATOM 152 C ARG A 11 17.305 -31.161 -1.510 1.00 10.00 C ATOM 153 O ARG A 11 17.069 -31.726 -2.569 1.00 10.00 O ATOM 154 CB ARG A 11 16.940 -28.656 -1.431 1.00 10.00 C ATOM 155 CG ARG A 11 16.695 -28.374 -2.925 1.00 10.00 C ATOM 156 CD ARG A 11 16.996 -26.919 -3.315 1.00 10.00 C ATOM 157 NE ARG A 11 18.444 -26.670 -3.459 1.00 10.00 N ATOM 158 CZ ARG A 11 19.160 -26.809 -4.563 1.00 10.00 C ATOM 159 NH1 ARG A 11 18.638 -27.171 -5.696 1.00 10.00 N ATOM 160 NH2 ARG A 11 20.441 -26.588 -4.561 1.00 10.00 N ATOM 0 H ARG A 11 16.429 -29.207 0.923 1.00 10.00 H new ATOM 0 HA ARG A 11 15.429 -30.190 -1.499 1.00 10.00 H new ATOM 0 HB2 ARG A 11 16.463 -27.881 -0.831 1.00 10.00 H new ATOM 0 HB3 ARG A 11 18.009 -28.609 -1.221 1.00 10.00 H new ATOM 0 HG2 ARG A 11 17.316 -29.041 -3.522 1.00 10.00 H new ATOM 0 HG3 ARG A 11 15.657 -28.603 -3.168 1.00 10.00 H new ATOM 0 HD2 ARG A 11 16.493 -26.684 -4.253 1.00 10.00 H new ATOM 0 HD3 ARG A 11 16.587 -26.249 -2.558 1.00 10.00 H new ATOM 0 HE ARG A 11 18.942 -26.360 -2.625 1.00 10.00 H new ATOM 0 HH11 ARG A 11 17.638 -27.361 -5.759 1.00 10.00 H new ATOM 0 HH12 ARG A 11 19.228 -27.266 -6.522 1.00 10.00 H new ATOM 0 HH21 ARG A 11 20.908 -26.303 -3.700 1.00 10.00 H new ATOM 0 HH22 ARG A 11 20.979 -26.700 -5.420 1.00 10.00 H new ATOM 174 N GLU A 12 18.300 -31.524 -0.704 1.00 10.00 N ATOM 175 CA GLU A 12 19.246 -32.625 -0.958 1.00 10.00 C ATOM 176 C GLU A 12 18.562 -34.000 -1.135 1.00 10.00 C ATOM 177 O GLU A 12 18.944 -34.773 -2.015 1.00 10.00 O ATOM 178 CB GLU A 12 20.260 -32.659 0.198 1.00 10.00 C ATOM 179 CG GLU A 12 21.446 -33.596 -0.066 1.00 10.00 C ATOM 180 CD GLU A 12 22.472 -33.518 1.081 1.00 10.00 C ATOM 181 OE1 GLU A 12 23.377 -32.647 1.036 1.00 10.00 O ATOM 182 OE2 GLU A 12 22.386 -34.327 2.037 1.00 10.00 O ATOM 0 H GLU A 12 18.482 -31.046 0.179 1.00 10.00 H new ATOM 0 HA GLU A 12 19.745 -32.432 -1.908 1.00 10.00 H new ATOM 0 HB2 GLU A 12 20.634 -31.651 0.374 1.00 10.00 H new ATOM 0 HB3 GLU A 12 19.752 -32.974 1.109 1.00 10.00 H new ATOM 0 HG2 GLU A 12 21.089 -34.621 -0.171 1.00 10.00 H new ATOM 0 HG3 GLU A 12 21.925 -33.327 -1.007 1.00 10.00 H new ATOM 189 N ARG A 13 17.521 -34.305 -0.345 1.00 10.00 N ATOM 190 CA ARG A 13 16.747 -35.563 -0.455 1.00 10.00 C ATOM 191 C ARG A 13 15.961 -35.605 -1.767 1.00 10.00 C ATOM 192 O ARG A 13 16.009 -36.601 -2.488 1.00 10.00 O ATOM 193 CB ARG A 13 15.839 -35.730 0.778 1.00 10.00 C ATOM 194 CG ARG A 13 16.645 -36.182 2.013 1.00 10.00 C ATOM 195 CD ARG A 13 16.420 -37.665 2.346 1.00 10.00 C ATOM 196 NE ARG A 13 15.087 -37.900 2.943 1.00 10.00 N ATOM 197 CZ ARG A 13 14.780 -37.851 4.228 1.00 10.00 C ATOM 198 NH1 ARG A 13 15.656 -37.576 5.149 1.00 10.00 N ATOM 199 NH2 ARG A 13 13.570 -38.075 4.644 1.00 10.00 N ATOM 0 H ARG A 13 17.186 -33.686 0.394 1.00 10.00 H new ATOM 0 HA ARG A 13 17.435 -36.408 -0.475 1.00 10.00 H new ATOM 0 HB2 ARG A 13 15.339 -34.786 0.994 1.00 10.00 H new ATOM 0 HB3 ARG A 13 15.060 -36.462 0.562 1.00 10.00 H new ATOM 0 HG2 ARG A 13 17.706 -36.009 1.835 1.00 10.00 H new ATOM 0 HG3 ARG A 13 16.363 -35.572 2.871 1.00 10.00 H new ATOM 0 HD2 ARG A 13 16.521 -38.260 1.439 1.00 10.00 H new ATOM 0 HD3 ARG A 13 17.192 -38.003 3.037 1.00 10.00 H new ATOM 0 HE ARG A 13 14.328 -38.122 2.298 1.00 10.00 H new ATOM 0 HH11 ARG A 13 16.625 -37.387 4.891 1.00 10.00 H new ATOM 0 HH12 ARG A 13 15.374 -37.549 6.129 1.00 10.00 H new ATOM 0 HH21 ARG A 13 12.833 -38.294 3.974 1.00 10.00 H new ATOM 0 HH22 ARG A 13 13.357 -38.032 5.641 1.00 10.00 H new ATOM 213 N CYS A 14 15.297 -34.502 -2.112 1.00 10.00 N ATOM 214 CA CYS A 14 14.610 -34.336 -3.397 1.00 10.00 C ATOM 215 C CYS A 14 15.596 -34.397 -4.583 1.00 10.00 C ATOM 216 O CYS A 14 15.292 -34.978 -5.626 1.00 10.00 O ATOM 217 CB CYS A 14 13.873 -32.996 -3.373 1.00 10.00 C ATOM 218 SG CYS A 14 12.732 -32.923 -4.780 1.00 10.00 S ATOM 0 H CYS A 14 15.219 -33.688 -1.502 1.00 10.00 H new ATOM 0 HA CYS A 14 13.903 -35.154 -3.537 1.00 10.00 H new ATOM 0 HB2 CYS A 14 13.325 -32.885 -2.438 1.00 10.00 H new ATOM 0 HB3 CYS A 14 14.586 -32.173 -3.424 1.00 10.00 H new ATOM 0 HG CYS A 14 11.552 -32.569 -4.364 1.00 10.00 H new ATOM 224 N ALA A 15 16.793 -33.825 -4.416 1.00 10.00 N ATOM 225 CA ALA A 15 17.854 -33.835 -5.423 1.00 10.00 C ATOM 226 C ALA A 15 18.300 -35.270 -5.737 1.00 10.00 C ATOM 227 O ALA A 15 18.483 -35.612 -6.901 1.00 10.00 O ATOM 228 CB ALA A 15 19.046 -33.002 -4.933 1.00 10.00 C ATOM 0 H ALA A 15 17.054 -33.334 -3.561 1.00 10.00 H new ATOM 0 HA ALA A 15 17.463 -33.395 -6.341 1.00 10.00 H new ATOM 0 HB1 ALA A 15 19.833 -33.014 -5.687 1.00 10.00 H new ATOM 0 HB2 ALA A 15 18.725 -31.975 -4.759 1.00 10.00 H new ATOM 0 HB3 ALA A 15 19.428 -33.425 -4.004 1.00 10.00 H new ATOM 234 N ASP A 16 18.431 -36.129 -4.720 1.00 10.00 N ATOM 235 CA ASP A 16 18.791 -37.544 -4.882 1.00 10.00 C ATOM 236 C ASP A 16 17.778 -38.312 -5.756 1.00 10.00 C ATOM 237 O ASP A 16 18.164 -39.180 -6.539 1.00 10.00 O ATOM 238 CB ASP A 16 18.962 -38.196 -3.505 1.00 10.00 C ATOM 239 CG ASP A 16 19.778 -39.494 -3.601 1.00 10.00 C ATOM 240 OD1 ASP A 16 20.997 -39.403 -3.886 1.00 10.00 O ATOM 241 OD2 ASP A 16 19.217 -40.591 -3.371 1.00 10.00 O ATOM 0 H ASP A 16 18.288 -35.858 -3.747 1.00 10.00 H new ATOM 0 HA ASP A 16 19.741 -37.592 -5.414 1.00 10.00 H new ATOM 0 HB2 ASP A 16 19.460 -37.500 -2.830 1.00 10.00 H new ATOM 0 HB3 ASP A 16 17.983 -38.410 -3.077 1.00 10.00 H new ATOM 246 N ALA A 17 16.489 -37.962 -5.670 1.00 10.00 N ATOM 247 CA ALA A 17 15.436 -38.536 -6.511 1.00 10.00 C ATOM 248 C ALA A 17 15.558 -38.094 -7.989 1.00 10.00 C ATOM 249 O ALA A 17 15.245 -38.869 -8.893 1.00 10.00 O ATOM 250 CB ALA A 17 14.067 -38.180 -5.918 1.00 10.00 C ATOM 0 H ALA A 17 16.146 -37.266 -5.008 1.00 10.00 H new ATOM 0 HA ALA A 17 15.549 -39.620 -6.518 1.00 10.00 H new ATOM 0 HB1 ALA A 17 13.279 -38.605 -6.540 1.00 10.00 H new ATOM 0 HB2 ALA A 17 13.991 -38.586 -4.909 1.00 10.00 H new ATOM 0 HB3 ALA A 17 13.957 -37.096 -5.883 1.00 10.00 H new ATOM 256 N LEU A 18 16.021 -36.862 -8.252 1.00 10.00 N ATOM 257 CA LEU A 18 16.260 -36.312 -9.588 1.00 10.00 C ATOM 258 C LEU A 18 17.556 -36.895 -10.191 1.00 10.00 C ATOM 259 O LEU A 18 17.574 -37.309 -11.349 1.00 10.00 O ATOM 260 CB LEU A 18 16.267 -34.775 -9.434 1.00 10.00 C ATOM 261 CG LEU A 18 17.056 -33.975 -10.478 1.00 10.00 C ATOM 262 CD1 LEU A 18 16.508 -34.097 -11.902 1.00 10.00 C ATOM 263 CD2 LEU A 18 17.037 -32.496 -10.101 1.00 10.00 C ATOM 0 H LEU A 18 16.246 -36.200 -7.510 1.00 10.00 H new ATOM 0 HA LEU A 18 15.481 -36.589 -10.299 1.00 10.00 H new ATOM 0 HB2 LEU A 18 15.234 -34.428 -9.451 1.00 10.00 H new ATOM 0 HB3 LEU A 18 16.668 -34.535 -8.449 1.00 10.00 H new ATOM 0 HG LEU A 18 18.063 -34.393 -10.475 1.00 10.00 H new ATOM 0 HD11 LEU A 18 17.121 -33.503 -12.580 1.00 10.00 H new ATOM 0 HD12 LEU A 18 16.532 -35.141 -12.213 1.00 10.00 H new ATOM 0 HD13 LEU A 18 15.481 -33.734 -11.929 1.00 10.00 H new ATOM 0 HD21 LEU A 18 17.597 -31.925 -10.841 1.00 10.00 H new ATOM 0 HD22 LEU A 18 16.007 -32.141 -10.072 1.00 10.00 H new ATOM 0 HD23 LEU A 18 17.494 -32.365 -9.120 1.00 10.00 H new ATOM 275 N LYS A 19 18.639 -36.967 -9.408 1.00 10.00 N ATOM 276 CA LYS A 19 19.956 -37.485 -9.735 1.00 10.00 C ATOM 277 C LYS A 19 19.947 -38.853 -10.432 1.00 10.00 C ATOM 278 O LYS A 19 20.750 -39.063 -11.344 1.00 10.00 O ATOM 279 CB LYS A 19 20.648 -37.522 -8.364 1.00 10.00 C ATOM 280 CG LYS A 19 22.112 -37.883 -8.431 1.00 10.00 C ATOM 281 CD LYS A 19 22.649 -38.332 -7.064 1.00 10.00 C ATOM 282 CE LYS A 19 22.652 -37.210 -6.019 1.00 10.00 C ATOM 283 NZ LYS A 19 23.074 -37.736 -4.697 1.00 10.00 N ATOM 0 H LYS A 19 18.604 -36.632 -8.445 1.00 10.00 H new ATOM 0 HA LYS A 19 20.469 -36.866 -10.471 1.00 10.00 H new ATOM 0 HB2 LYS A 19 20.545 -36.546 -7.889 1.00 10.00 H new ATOM 0 HB3 LYS A 19 20.134 -38.242 -7.727 1.00 10.00 H new ATOM 0 HG2 LYS A 19 22.257 -38.681 -9.159 1.00 10.00 H new ATOM 0 HG3 LYS A 19 22.683 -37.024 -8.782 1.00 10.00 H new ATOM 0 HD2 LYS A 19 22.043 -39.160 -6.697 1.00 10.00 H new ATOM 0 HD3 LYS A 19 23.664 -38.709 -7.186 1.00 10.00 H new ATOM 0 HE2 LYS A 19 23.327 -36.414 -6.333 1.00 10.00 H new ATOM 0 HE3 LYS A 19 21.657 -36.773 -5.943 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 23.104 -36.958 -4.007 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 22.395 -38.456 -4.377 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 24.019 -38.163 -4.779 1.00 10.00 H new ATOM 297 N THR A 20 19.070 -39.771 -10.018 1.00 10.00 N ATOM 298 CA THR A 20 18.966 -41.137 -10.570 1.00 10.00 C ATOM 299 C THR A 20 18.157 -41.254 -11.871 1.00 10.00 C ATOM 300 O THR A 20 18.193 -42.311 -12.509 1.00 10.00 O ATOM 301 CB THR A 20 18.377 -42.108 -9.532 1.00 10.00 C ATOM 302 OG1 THR A 20 17.120 -41.645 -9.086 1.00 10.00 O ATOM 303 CG2 THR A 20 19.287 -42.260 -8.312 1.00 10.00 C ATOM 0 H THR A 20 18.396 -39.588 -9.275 1.00 10.00 H new ATOM 0 HA THR A 20 19.994 -41.404 -10.817 1.00 10.00 H new ATOM 0 HB THR A 20 18.279 -43.075 -10.026 1.00 10.00 H new ATOM 0 HG1 THR A 20 16.755 -42.272 -8.427 1.00 10.00 H new ATOM 0 HG21 THR A 20 18.834 -42.954 -7.604 1.00 10.00 H new ATOM 0 HG22 THR A 20 20.257 -42.645 -8.627 1.00 10.00 H new ATOM 0 HG23 THR A 20 19.420 -41.289 -7.834 1.00 10.00 H new ATOM 311 N LEU A 21 17.448 -40.202 -12.306 1.00 10.00 N ATOM 312 CA LEU A 21 16.690 -40.192 -13.563 1.00 10.00 C ATOM 313 C LEU A 21 17.632 -40.279 -14.788 1.00 10.00 C ATOM 314 O LEU A 21 18.794 -39.865 -14.680 1.00 10.00 O ATOM 315 CB LEU A 21 15.850 -38.899 -13.632 1.00 10.00 C ATOM 316 CG LEU A 21 14.777 -38.746 -12.536 1.00 10.00 C ATOM 317 CD1 LEU A 21 14.053 -37.409 -12.706 1.00 10.00 C ATOM 318 CD2 LEU A 21 13.729 -39.860 -12.579 1.00 10.00 C ATOM 0 H LEU A 21 17.385 -39.325 -11.788 1.00 10.00 H new ATOM 0 HA LEU A 21 16.036 -41.064 -13.586 1.00 10.00 H new ATOM 0 HB2 LEU A 21 16.525 -38.045 -13.577 1.00 10.00 H new ATOM 0 HB3 LEU A 21 15.360 -38.856 -14.605 1.00 10.00 H new ATOM 0 HG LEU A 21 15.297 -38.798 -11.579 1.00 10.00 H new ATOM 0 HD11 LEU A 21 13.295 -37.304 -11.930 1.00 10.00 H new ATOM 0 HD12 LEU A 21 14.771 -36.593 -12.624 1.00 10.00 H new ATOM 0 HD13 LEU A 21 13.576 -37.376 -13.685 1.00 10.00 H new ATOM 0 HD21 LEU A 21 12.998 -39.703 -11.786 1.00 10.00 H new ATOM 0 HD22 LEU A 21 13.224 -39.848 -13.545 1.00 10.00 H new ATOM 0 HD23 LEU A 21 14.217 -40.824 -12.437 1.00 10.00 H new ATOM 330 N PRO A 22 17.161 -40.777 -15.954 1.00 10.00 N ATOM 331 CA PRO A 22 17.967 -40.862 -17.176 1.00 10.00 C ATOM 332 C PRO A 22 18.580 -39.505 -17.537 1.00 10.00 C ATOM 333 O PRO A 22 17.867 -38.525 -17.760 1.00 10.00 O ATOM 334 CB PRO A 22 17.047 -41.402 -18.279 1.00 10.00 C ATOM 335 CG PRO A 22 15.633 -41.296 -17.708 1.00 10.00 C ATOM 336 CD PRO A 22 15.826 -41.309 -16.195 1.00 10.00 C ATOM 0 HA PRO A 22 18.816 -41.532 -17.039 1.00 10.00 H new ATOM 0 HB2 PRO A 22 17.147 -40.820 -19.195 1.00 10.00 H new ATOM 0 HB3 PRO A 22 17.295 -42.434 -18.529 1.00 10.00 H new ATOM 0 HG2 PRO A 22 15.140 -40.381 -18.037 1.00 10.00 H new ATOM 0 HG3 PRO A 22 15.010 -42.128 -18.035 1.00 10.00 H new ATOM 0 HD2 PRO A 22 15.069 -40.701 -15.700 1.00 10.00 H new ATOM 0 HD3 PRO A 22 15.732 -42.320 -15.799 1.00 10.00 H new ATOM 344 N ASP A 23 19.913 -39.441 -17.575 1.00 10.00 N ATOM 345 CA ASP A 23 20.655 -38.202 -17.831 1.00 10.00 C ATOM 346 C ASP A 23 20.303 -37.547 -19.173 1.00 10.00 C ATOM 347 O ASP A 23 20.235 -36.325 -19.271 1.00 10.00 O ATOM 348 CB ASP A 23 22.158 -38.483 -17.740 1.00 10.00 C ATOM 349 CG ASP A 23 22.932 -37.201 -17.413 1.00 10.00 C ATOM 350 OD1 ASP A 23 22.697 -36.648 -16.312 1.00 10.00 O ATOM 351 OD2 ASP A 23 23.790 -36.775 -18.223 1.00 10.00 O ATOM 0 H ASP A 23 20.513 -40.253 -17.428 1.00 10.00 H new ATOM 0 HA ASP A 23 20.361 -37.484 -17.066 1.00 10.00 H new ATOM 0 HB2 ASP A 23 22.347 -39.233 -16.972 1.00 10.00 H new ATOM 0 HB3 ASP A 23 22.513 -38.897 -18.684 1.00 10.00 H new ATOM 356 N GLU A 24 20.029 -38.363 -20.195 1.00 10.00 N ATOM 357 CA GLU A 24 19.598 -37.895 -21.520 1.00 10.00 C ATOM 358 C GLU A 24 18.238 -37.177 -21.449 1.00 10.00 C ATOM 359 O GLU A 24 18.047 -36.146 -22.096 1.00 10.00 O ATOM 360 CB GLU A 24 19.512 -39.076 -22.500 1.00 10.00 C ATOM 361 CG GLU A 24 20.887 -39.683 -22.808 1.00 10.00 C ATOM 362 CD GLU A 24 20.762 -40.851 -23.806 1.00 10.00 C ATOM 363 OE1 GLU A 24 20.837 -40.617 -25.038 1.00 10.00 O ATOM 364 OE2 GLU A 24 20.595 -42.016 -23.367 1.00 10.00 O ATOM 0 H GLU A 24 20.100 -39.378 -20.127 1.00 10.00 H new ATOM 0 HA GLU A 24 20.341 -37.182 -21.876 1.00 10.00 H new ATOM 0 HB2 GLU A 24 18.864 -39.846 -22.081 1.00 10.00 H new ATOM 0 HB3 GLU A 24 19.050 -38.741 -23.429 1.00 10.00 H new ATOM 0 HG2 GLU A 24 21.543 -38.916 -23.220 1.00 10.00 H new ATOM 0 HG3 GLU A 24 21.348 -40.036 -21.885 1.00 10.00 H new ATOM 371 N GLU A 25 17.299 -37.678 -20.637 1.00 10.00 N ATOM 372 CA GLU A 25 15.994 -37.036 -20.430 1.00 10.00 C ATOM 373 C GLU A 25 16.146 -35.723 -19.643 1.00 10.00 C ATOM 374 O GLU A 25 15.586 -34.699 -20.036 1.00 10.00 O ATOM 375 CB GLU A 25 15.046 -38.010 -19.716 1.00 10.00 C ATOM 376 CG GLU A 25 13.603 -37.498 -19.692 1.00 10.00 C ATOM 377 CD GLU A 25 12.654 -38.552 -19.090 1.00 10.00 C ATOM 378 OE1 GLU A 25 12.122 -39.399 -19.850 1.00 10.00 O ATOM 379 OE2 GLU A 25 12.424 -38.538 -17.856 1.00 10.00 O ATOM 0 H GLU A 25 17.422 -38.540 -20.105 1.00 10.00 H new ATOM 0 HA GLU A 25 15.565 -36.783 -21.400 1.00 10.00 H new ATOM 0 HB2 GLU A 25 15.078 -38.978 -20.216 1.00 10.00 H new ATOM 0 HB3 GLU A 25 15.391 -38.167 -18.694 1.00 10.00 H new ATOM 0 HG2 GLU A 25 13.549 -36.579 -19.108 1.00 10.00 H new ATOM 0 HG3 GLU A 25 13.284 -37.252 -20.705 1.00 10.00 H new ATOM 386 N VAL A 26 16.940 -35.732 -18.563 1.00 10.00 N ATOM 387 CA VAL A 26 17.231 -34.537 -17.747 1.00 10.00 C ATOM 388 C VAL A 26 17.863 -33.444 -18.618 1.00 10.00 C ATOM 389 O VAL A 26 17.391 -32.306 -18.622 1.00 10.00 O ATOM 390 CB VAL A 26 18.129 -34.908 -16.545 1.00 10.00 C ATOM 391 CG1 VAL A 26 18.650 -33.689 -15.772 1.00 10.00 C ATOM 392 CG2 VAL A 26 17.354 -35.781 -15.548 1.00 10.00 C ATOM 0 H VAL A 26 17.404 -36.575 -18.225 1.00 10.00 H new ATOM 0 HA VAL A 26 16.298 -34.142 -17.345 1.00 10.00 H new ATOM 0 HB VAL A 26 18.980 -35.439 -16.973 1.00 10.00 H new ATOM 0 HG11 VAL A 26 19.273 -34.023 -14.942 1.00 10.00 H new ATOM 0 HG12 VAL A 26 19.240 -33.061 -16.439 1.00 10.00 H new ATOM 0 HG13 VAL A 26 17.807 -33.116 -15.385 1.00 10.00 H new ATOM 0 HG21 VAL A 26 18.000 -36.034 -14.707 1.00 10.00 H new ATOM 0 HG22 VAL A 26 16.484 -35.234 -15.185 1.00 10.00 H new ATOM 0 HG23 VAL A 26 17.027 -36.696 -16.043 1.00 10.00 H new ATOM 402 N ASP A 27 18.882 -33.787 -19.410 1.00 10.00 N ATOM 403 CA ASP A 27 19.539 -32.867 -20.343 1.00 10.00 C ATOM 404 C ASP A 27 18.566 -32.333 -21.411 1.00 10.00 C ATOM 405 O ASP A 27 18.613 -31.148 -21.739 1.00 10.00 O ATOM 406 CB ASP A 27 20.736 -33.573 -20.993 1.00 10.00 C ATOM 407 CG ASP A 27 21.526 -32.633 -21.918 1.00 10.00 C ATOM 408 OD1 ASP A 27 22.237 -31.737 -21.403 1.00 10.00 O ATOM 409 OD2 ASP A 27 21.464 -32.805 -23.159 1.00 10.00 O ATOM 0 H ASP A 27 19.280 -34.726 -19.422 1.00 10.00 H new ATOM 0 HA ASP A 27 19.889 -32.001 -19.781 1.00 10.00 H new ATOM 0 HB2 ASP A 27 21.397 -33.956 -20.216 1.00 10.00 H new ATOM 0 HB3 ASP A 27 20.384 -34.432 -21.564 1.00 10.00 H new ATOM 414 N SER A 28 17.652 -33.171 -21.920 1.00 10.00 N ATOM 415 CA SER A 28 16.640 -32.758 -22.906 1.00 10.00 C ATOM 416 C SER A 28 15.703 -31.678 -22.348 1.00 10.00 C ATOM 417 O SER A 28 15.436 -30.691 -23.036 1.00 10.00 O ATOM 418 CB SER A 28 15.809 -33.948 -23.403 1.00 10.00 C ATOM 419 OG SER A 28 16.618 -34.886 -24.094 1.00 10.00 O ATOM 0 H SER A 28 17.592 -34.156 -21.660 1.00 10.00 H new ATOM 0 HA SER A 28 17.191 -32.340 -23.748 1.00 10.00 H new ATOM 0 HB2 SER A 28 15.325 -34.435 -22.557 1.00 10.00 H new ATOM 0 HB3 SER A 28 15.017 -33.592 -24.062 1.00 10.00 H new ATOM 0 HG SER A 28 17.166 -35.382 -23.451 1.00 10.00 H new ATOM 425 N ILE A 29 15.228 -31.817 -21.100 1.00 10.00 N ATOM 426 CA ILE A 29 14.377 -30.810 -20.446 1.00 10.00 C ATOM 427 C ILE A 29 15.163 -29.502 -20.256 1.00 10.00 C ATOM 428 O ILE A 29 14.678 -28.423 -20.604 1.00 10.00 O ATOM 429 CB ILE A 29 13.814 -31.329 -19.101 1.00 10.00 C ATOM 430 CG1 ILE A 29 12.966 -32.608 -19.301 1.00 10.00 C ATOM 431 CG2 ILE A 29 12.946 -30.237 -18.442 1.00 10.00 C ATOM 432 CD1 ILE A 29 12.662 -33.358 -17.996 1.00 10.00 C ATOM 0 H ILE A 29 15.423 -32.630 -20.516 1.00 10.00 H new ATOM 0 HA ILE A 29 13.522 -30.611 -21.092 1.00 10.00 H new ATOM 0 HB ILE A 29 14.658 -31.574 -18.456 1.00 10.00 H new ATOM 0 HG12 ILE A 29 12.026 -32.338 -19.782 1.00 10.00 H new ATOM 0 HG13 ILE A 29 13.491 -33.279 -19.981 1.00 10.00 H new ATOM 0 HG21 ILE A 29 12.552 -30.607 -17.496 1.00 10.00 H new ATOM 0 HG22 ILE A 29 13.553 -29.350 -18.260 1.00 10.00 H new ATOM 0 HG23 ILE A 29 12.119 -29.981 -19.104 1.00 10.00 H new ATOM 0 HD11 ILE A 29 12.064 -34.243 -18.216 1.00 10.00 H new ATOM 0 HD12 ILE A 29 13.597 -33.660 -17.523 1.00 10.00 H new ATOM 0 HD13 ILE A 29 12.109 -32.705 -17.321 1.00 10.00 H new ATOM 444 N LEU A 30 16.399 -29.584 -19.750 1.00 10.00 N ATOM 445 CA LEU A 30 17.267 -28.416 -19.556 1.00 10.00 C ATOM 446 C LEU A 30 17.558 -27.680 -20.877 1.00 10.00 C ATOM 447 O LEU A 30 17.561 -26.450 -20.897 1.00 10.00 O ATOM 448 CB LEU A 30 18.563 -28.843 -18.847 1.00 10.00 C ATOM 449 CG LEU A 30 18.360 -29.338 -17.401 1.00 10.00 C ATOM 450 CD1 LEU A 30 19.684 -29.880 -16.866 1.00 10.00 C ATOM 451 CD2 LEU A 30 17.848 -28.233 -16.476 1.00 10.00 C ATOM 0 H LEU A 30 16.827 -30.464 -19.463 1.00 10.00 H new ATOM 0 HA LEU A 30 16.739 -27.703 -18.923 1.00 10.00 H new ATOM 0 HB2 LEU A 30 19.037 -29.635 -19.427 1.00 10.00 H new ATOM 0 HB3 LEU A 30 19.253 -27.999 -18.837 1.00 10.00 H new ATOM 0 HG LEU A 30 17.604 -30.123 -17.421 1.00 10.00 H new ATOM 0 HD11 LEU A 30 19.547 -30.232 -15.843 1.00 10.00 H new ATOM 0 HD12 LEU A 30 20.018 -30.707 -17.492 1.00 10.00 H new ATOM 0 HD13 LEU A 30 20.433 -29.089 -16.880 1.00 10.00 H new ATOM 0 HD21 LEU A 30 17.721 -28.631 -15.469 1.00 10.00 H new ATOM 0 HD22 LEU A 30 18.567 -27.414 -16.454 1.00 10.00 H new ATOM 0 HD23 LEU A 30 16.890 -27.865 -16.844 1.00 10.00 H new ATOM 463 N ALA A 31 17.738 -28.405 -21.983 1.00 10.00 N ATOM 464 CA ALA A 31 17.956 -27.842 -23.318 1.00 10.00 C ATOM 465 C ALA A 31 16.728 -27.100 -23.905 1.00 10.00 C ATOM 466 O ALA A 31 16.855 -26.441 -24.939 1.00 10.00 O ATOM 467 CB ALA A 31 18.418 -28.972 -24.249 1.00 10.00 C ATOM 0 H ALA A 31 17.736 -29.425 -21.975 1.00 10.00 H new ATOM 0 HA ALA A 31 18.723 -27.073 -23.229 1.00 10.00 H new ATOM 0 HB1 ALA A 31 18.586 -28.573 -25.249 1.00 10.00 H new ATOM 0 HB2 ALA A 31 19.345 -29.401 -23.869 1.00 10.00 H new ATOM 0 HB3 ALA A 31 17.651 -29.745 -24.291 1.00 10.00 H new ATOM 473 N GLU A 32 15.550 -27.188 -23.270 1.00 10.00 N ATOM 474 CA GLU A 32 14.301 -26.549 -23.725 1.00 10.00 C ATOM 475 C GLU A 32 13.664 -25.589 -22.696 1.00 10.00 C ATOM 476 O GLU A 32 12.813 -24.782 -23.077 1.00 10.00 O ATOM 477 CB GLU A 32 13.290 -27.627 -24.158 1.00 10.00 C ATOM 478 CG GLU A 32 13.748 -28.408 -25.399 1.00 10.00 C ATOM 479 CD GLU A 32 12.621 -29.315 -25.932 1.00 10.00 C ATOM 480 OE1 GLU A 32 12.447 -30.451 -25.427 1.00 10.00 O ATOM 481 OE2 GLU A 32 11.899 -28.901 -26.873 1.00 10.00 O ATOM 0 H GLU A 32 15.434 -27.717 -22.406 1.00 10.00 H new ATOM 0 HA GLU A 32 14.573 -25.922 -24.574 1.00 10.00 H new ATOM 0 HB2 GLU A 32 13.133 -28.323 -23.334 1.00 10.00 H new ATOM 0 HB3 GLU A 32 12.329 -27.156 -24.365 1.00 10.00 H new ATOM 0 HG2 GLU A 32 14.057 -27.711 -26.178 1.00 10.00 H new ATOM 0 HG3 GLU A 32 14.619 -29.014 -25.150 1.00 10.00 H new ATOM 488 N ASP A 33 14.058 -25.636 -21.414 1.00 10.00 N ATOM 489 CA ASP A 33 13.511 -24.763 -20.353 1.00 10.00 C ATOM 490 C ASP A 33 14.532 -24.270 -19.302 1.00 10.00 C ATOM 491 O ASP A 33 14.233 -23.344 -18.548 1.00 10.00 O ATOM 492 CB ASP A 33 12.354 -25.498 -19.653 1.00 10.00 C ATOM 493 CG ASP A 33 11.408 -24.539 -18.904 1.00 10.00 C ATOM 494 OD1 ASP A 33 10.864 -23.601 -19.537 1.00 10.00 O ATOM 495 OD2 ASP A 33 11.155 -24.748 -17.694 1.00 10.00 O ATOM 0 H ASP A 33 14.770 -26.284 -21.078 1.00 10.00 H new ATOM 0 HA ASP A 33 13.174 -23.857 -20.857 1.00 10.00 H new ATOM 0 HB2 ASP A 33 11.784 -26.059 -20.394 1.00 10.00 H new ATOM 0 HB3 ASP A 33 12.762 -26.223 -18.949 1.00 10.00 H new ATOM 500 N GLY A 34 15.739 -24.847 -19.243 1.00 10.00 N ATOM 501 CA GLY A 34 16.813 -24.465 -18.307 1.00 10.00 C ATOM 502 C GLY A 34 16.614 -24.877 -16.838 1.00 10.00 C ATOM 503 O GLY A 34 17.544 -24.740 -16.039 1.00 10.00 O ATOM 0 H GLY A 34 16.006 -25.614 -19.860 1.00 10.00 H new ATOM 0 HA2 GLY A 34 17.747 -24.901 -18.661 1.00 10.00 H new ATOM 0 HA3 GLY A 34 16.932 -23.382 -18.346 1.00 10.00 H new ATOM 507 N GLU A 35 15.439 -25.394 -16.465 1.00 10.00 N ATOM 508 CA GLU A 35 15.109 -25.825 -15.098 1.00 10.00 C ATOM 509 C GLU A 35 14.054 -26.943 -15.050 1.00 10.00 C ATOM 510 O GLU A 35 13.368 -27.227 -16.035 1.00 10.00 O ATOM 511 CB GLU A 35 14.679 -24.620 -14.232 1.00 10.00 C ATOM 512 CG GLU A 35 13.468 -23.846 -14.771 1.00 10.00 C ATOM 513 CD GLU A 35 13.117 -22.665 -13.846 1.00 10.00 C ATOM 514 OE1 GLU A 35 13.717 -21.571 -13.992 1.00 10.00 O ATOM 515 OE2 GLU A 35 12.234 -22.817 -12.967 1.00 10.00 O ATOM 0 H GLU A 35 14.669 -25.529 -17.121 1.00 10.00 H new ATOM 0 HA GLU A 35 16.021 -26.252 -14.682 1.00 10.00 H new ATOM 0 HB2 GLU A 35 14.449 -24.975 -13.227 1.00 10.00 H new ATOM 0 HB3 GLU A 35 15.522 -23.934 -14.143 1.00 10.00 H new ATOM 0 HG2 GLU A 35 13.684 -23.477 -15.774 1.00 10.00 H new ATOM 0 HG3 GLU A 35 12.611 -24.515 -14.855 1.00 10.00 H new ATOM 522 N ILE A 36 13.958 -27.594 -13.887 1.00 10.00 N ATOM 523 CA ILE A 36 13.083 -28.728 -13.583 1.00 10.00 C ATOM 524 C ILE A 36 12.424 -28.523 -12.208 1.00 10.00 C ATOM 525 O ILE A 36 13.079 -28.174 -11.222 1.00 10.00 O ATOM 526 CB ILE A 36 13.911 -30.041 -13.596 1.00 10.00 C ATOM 527 CG1 ILE A 36 14.642 -30.237 -14.946 1.00 10.00 C ATOM 528 CG2 ILE A 36 13.020 -31.263 -13.292 1.00 10.00 C ATOM 529 CD1 ILE A 36 15.604 -31.422 -14.971 1.00 10.00 C ATOM 0 H ILE A 36 14.525 -27.326 -13.083 1.00 10.00 H new ATOM 0 HA ILE A 36 12.300 -28.797 -14.338 1.00 10.00 H new ATOM 0 HB ILE A 36 14.663 -29.955 -12.811 1.00 10.00 H new ATOM 0 HG12 ILE A 36 13.899 -30.370 -15.733 1.00 10.00 H new ATOM 0 HG13 ILE A 36 15.196 -29.328 -15.181 1.00 10.00 H new ATOM 0 HG21 ILE A 36 13.627 -32.168 -13.308 1.00 10.00 H new ATOM 0 HG22 ILE A 36 12.567 -31.147 -12.308 1.00 10.00 H new ATOM 0 HG23 ILE A 36 12.236 -31.338 -14.046 1.00 10.00 H new ATOM 0 HD11 ILE A 36 16.074 -31.488 -15.952 1.00 10.00 H new ATOM 0 HD12 ILE A 36 16.371 -31.284 -14.209 1.00 10.00 H new ATOM 0 HD13 ILE A 36 15.054 -32.341 -14.769 1.00 10.00 H new ATOM 541 N ASP A 37 11.124 -28.802 -12.144 1.00 10.00 N ATOM 542 CA ASP A 37 10.304 -28.805 -10.929 1.00 10.00 C ATOM 543 C ASP A 37 10.196 -30.262 -10.446 1.00 10.00 C ATOM 544 O ASP A 37 9.798 -31.143 -11.214 1.00 10.00 O ATOM 545 CB ASP A 37 8.930 -28.207 -11.268 1.00 10.00 C ATOM 546 CG ASP A 37 7.920 -28.338 -10.116 1.00 10.00 C ATOM 547 OD1 ASP A 37 8.235 -27.915 -8.980 1.00 10.00 O ATOM 548 OD2 ASP A 37 6.797 -28.843 -10.358 1.00 10.00 O ATOM 0 H ASP A 37 10.586 -29.044 -12.976 1.00 10.00 H new ATOM 0 HA ASP A 37 10.743 -28.204 -10.133 1.00 10.00 H new ATOM 0 HB2 ASP A 37 9.050 -27.154 -11.521 1.00 10.00 H new ATOM 0 HB3 ASP A 37 8.531 -28.704 -12.152 1.00 10.00 H new ATOM 553 N MET A 38 10.582 -30.529 -9.195 1.00 10.00 N ATOM 554 CA MET A 38 10.638 -31.880 -8.622 1.00 10.00 C ATOM 555 C MET A 38 9.960 -31.944 -7.247 1.00 10.00 C ATOM 556 O MET A 38 9.891 -30.947 -6.528 1.00 10.00 O ATOM 557 CB MET A 38 12.117 -32.308 -8.561 1.00 10.00 C ATOM 558 CG MET A 38 12.341 -33.784 -8.208 1.00 10.00 C ATOM 559 SD MET A 38 11.661 -34.969 -9.400 1.00 10.00 S ATOM 560 CE MET A 38 12.127 -36.512 -8.571 1.00 10.00 C ATOM 0 H MET A 38 10.869 -29.802 -8.540 1.00 10.00 H new ATOM 0 HA MET A 38 10.083 -32.574 -9.253 1.00 10.00 H new ATOM 0 HB2 MET A 38 12.581 -32.105 -9.526 1.00 10.00 H new ATOM 0 HB3 MET A 38 12.630 -31.690 -7.824 1.00 10.00 H new ATOM 0 HG2 MET A 38 13.412 -33.961 -8.114 1.00 10.00 H new ATOM 0 HG3 MET A 38 11.898 -33.980 -7.231 1.00 10.00 H new ATOM 0 HE1 MET A 38 11.851 -37.360 -9.198 1.00 10.00 H new ATOM 0 HE2 MET A 38 13.203 -36.522 -8.400 1.00 10.00 H new ATOM 0 HE3 MET A 38 11.607 -36.583 -7.616 1.00 10.00 H new ATOM 570 N HIS A 39 9.459 -33.127 -6.882 1.00 10.00 N ATOM 571 CA HIS A 39 8.789 -33.384 -5.606 1.00 10.00 C ATOM 572 C HIS A 39 9.521 -34.461 -4.791 1.00 10.00 C ATOM 573 O HIS A 39 9.980 -35.469 -5.337 1.00 10.00 O ATOM 574 CB HIS A 39 7.337 -33.813 -5.862 1.00 10.00 C ATOM 575 CG HIS A 39 6.435 -32.692 -6.314 1.00 10.00 C ATOM 576 ND1 HIS A 39 5.577 -31.978 -5.510 1.00 10.00 N ATOM 577 CD2 HIS A 39 6.265 -32.233 -7.593 1.00 10.00 C ATOM 578 CE1 HIS A 39 4.898 -31.112 -6.280 1.00 10.00 C ATOM 579 NE2 HIS A 39 5.285 -31.229 -7.564 1.00 10.00 N ATOM 0 H HIS A 39 9.510 -33.952 -7.480 1.00 10.00 H new ATOM 0 HA HIS A 39 8.802 -32.462 -5.024 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.329 -34.599 -6.618 1.00 10.00 H new ATOM 0 HB3 HIS A 39 6.931 -34.246 -4.948 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.474 -32.088 -4.501 1.00 10.00 H new ATOM 0 HD2 HIS A 39 6.792 -32.582 -8.469 1.00 10.00 H new ATOM 0 HE1 HIS A 39 4.149 -30.421 -5.921 1.00 10.00 H new ATOM 587 N CYS A 40 9.594 -34.242 -3.476 1.00 10.00 N ATOM 588 CA CYS A 40 10.185 -35.128 -2.482 1.00 10.00 C ATOM 589 C CYS A 40 9.572 -36.538 -2.578 1.00 10.00 C ATOM 590 O CYS A 40 8.368 -36.720 -2.384 1.00 10.00 O ATOM 591 CB CYS A 40 9.942 -34.474 -1.114 1.00 10.00 C ATOM 592 SG CYS A 40 10.508 -35.519 0.254 1.00 10.00 S ATOM 0 H CYS A 40 9.219 -33.391 -3.057 1.00 10.00 H new ATOM 0 HA CYS A 40 11.255 -35.260 -2.645 1.00 10.00 H new ATOM 0 HB2 CYS A 40 10.459 -33.515 -1.075 1.00 10.00 H new ATOM 0 HB3 CYS A 40 8.878 -34.268 -0.996 1.00 10.00 H new ATOM 0 HG CYS A 40 9.730 -35.348 1.281 1.00 10.00 H new ATOM 597 N ASP A 41 10.398 -37.545 -2.866 1.00 10.00 N ATOM 598 CA ASP A 41 9.964 -38.947 -2.976 1.00 10.00 C ATOM 599 C ASP A 41 9.496 -39.546 -1.626 1.00 10.00 C ATOM 600 O ASP A 41 8.947 -40.650 -1.584 1.00 10.00 O ATOM 601 CB ASP A 41 11.116 -39.763 -3.585 1.00 10.00 C ATOM 602 CG ASP A 41 10.688 -41.181 -4.008 1.00 10.00 C ATOM 603 OD1 ASP A 41 9.786 -41.310 -4.871 1.00 10.00 O ATOM 604 OD2 ASP A 41 11.286 -42.171 -3.520 1.00 10.00 O ATOM 0 H ASP A 41 11.396 -37.414 -3.032 1.00 10.00 H new ATOM 0 HA ASP A 41 9.089 -38.989 -3.625 1.00 10.00 H new ATOM 0 HB2 ASP A 41 11.510 -39.234 -4.453 1.00 10.00 H new ATOM 0 HB3 ASP A 41 11.927 -39.835 -2.860 1.00 10.00 H new ATOM 609 N TYR A 42 9.710 -38.822 -0.521 1.00 10.00 N ATOM 610 CA TYR A 42 9.397 -39.231 0.844 1.00 10.00 C ATOM 611 C TYR A 42 8.076 -38.640 1.391 1.00 10.00 C ATOM 612 O TYR A 42 7.310 -39.382 2.014 1.00 10.00 O ATOM 613 CB TYR A 42 10.588 -38.820 1.714 1.00 10.00 C ATOM 614 CG TYR A 42 11.942 -39.379 1.303 1.00 10.00 C ATOM 615 CD1 TYR A 42 12.327 -40.660 1.743 1.00 10.00 C ATOM 616 CD2 TYR A 42 12.815 -38.625 0.483 1.00 10.00 C ATOM 617 CE1 TYR A 42 13.568 -41.199 1.353 1.00 10.00 C ATOM 618 CE2 TYR A 42 14.045 -39.175 0.072 1.00 10.00 C ATOM 619 CZ TYR A 42 14.426 -40.464 0.507 1.00 10.00 C ATOM 620 OH TYR A 42 15.618 -40.999 0.125 1.00 10.00 O ATOM 0 H TYR A 42 10.126 -37.892 -0.562 1.00 10.00 H new ATOM 0 HA TYR A 42 9.237 -40.309 0.860 1.00 10.00 H new ATOM 0 HB2 TYR A 42 10.652 -37.732 1.716 1.00 10.00 H new ATOM 0 HB3 TYR A 42 10.386 -39.129 2.740 1.00 10.00 H new ATOM 0 HD1 TYR A 42 11.669 -41.231 2.381 1.00 10.00 H new ATOM 0 HD2 TYR A 42 12.538 -37.628 0.172 1.00 10.00 H new ATOM 0 HE1 TYR A 42 13.864 -42.177 1.702 1.00 10.00 H new ATOM 0 HE2 TYR A 42 14.698 -38.610 -0.577 1.00 10.00 H new ATOM 0 HH TYR A 42 16.089 -40.367 -0.457 1.00 10.00 H new ATOM 630 N CYS A 43 7.786 -37.347 1.157 1.00 10.00 N ATOM 631 CA CYS A 43 6.552 -36.667 1.612 1.00 10.00 C ATOM 632 C CYS A 43 5.797 -35.817 0.557 1.00 10.00 C ATOM 633 O CYS A 43 4.657 -35.412 0.806 1.00 10.00 O ATOM 634 CB CYS A 43 6.846 -35.838 2.874 1.00 10.00 C ATOM 635 SG CYS A 43 7.762 -34.313 2.484 1.00 10.00 S ATOM 0 H CYS A 43 8.412 -36.732 0.637 1.00 10.00 H new ATOM 0 HA CYS A 43 5.857 -37.478 1.828 1.00 10.00 H new ATOM 0 HB2 CYS A 43 5.908 -35.583 3.368 1.00 10.00 H new ATOM 0 HB3 CYS A 43 7.423 -36.439 3.577 1.00 10.00 H new ATOM 0 HG CYS A 43 7.984 -33.648 3.579 1.00 10.00 H new ATOM 640 N GLY A 44 6.377 -35.570 -0.623 1.00 10.00 N ATOM 641 CA GLY A 44 5.738 -34.835 -1.727 1.00 10.00 C ATOM 642 C GLY A 44 6.023 -33.328 -1.816 1.00 10.00 C ATOM 643 O GLY A 44 5.539 -32.691 -2.754 1.00 10.00 O ATOM 0 H GLY A 44 7.323 -35.881 -0.844 1.00 10.00 H new ATOM 0 HA2 GLY A 44 6.049 -35.295 -2.665 1.00 10.00 H new ATOM 0 HA3 GLY A 44 4.660 -34.972 -1.646 1.00 10.00 H new ATOM 647 N ASN A 45 6.786 -32.732 -0.891 1.00 10.00 N ATOM 648 CA ASN A 45 7.132 -31.301 -0.924 1.00 10.00 C ATOM 649 C ASN A 45 7.868 -30.909 -2.229 1.00 10.00 C ATOM 650 O ASN A 45 8.735 -31.649 -2.694 1.00 10.00 O ATOM 651 CB ASN A 45 7.972 -30.967 0.322 1.00 10.00 C ATOM 652 CG ASN A 45 8.232 -29.474 0.475 1.00 10.00 C ATOM 653 OD1 ASN A 45 7.442 -28.631 0.070 1.00 10.00 O ATOM 654 ND2 ASN A 45 9.338 -29.090 1.067 1.00 10.00 N ATOM 0 H ASN A 45 7.184 -33.229 -0.094 1.00 10.00 H new ATOM 0 HA ASN A 45 6.213 -30.715 -0.911 1.00 10.00 H new ATOM 0 HB2 ASN A 45 7.458 -31.335 1.210 1.00 10.00 H new ATOM 0 HB3 ASN A 45 8.925 -31.493 0.264 1.00 10.00 H new ATOM 0 HD21 ASN A 45 9.534 -28.096 1.187 1.00 10.00 H new ATOM 0 HD22 ASN A 45 10.002 -29.785 1.408 1.00 10.00 H new ATOM 661 N HIS A 46 7.545 -29.755 -2.820 1.00 10.00 N ATOM 662 CA HIS A 46 8.143 -29.274 -4.077 1.00 10.00 C ATOM 663 C HIS A 46 9.502 -28.566 -3.880 1.00 10.00 C ATOM 664 O HIS A 46 9.742 -27.939 -2.843 1.00 10.00 O ATOM 665 CB HIS A 46 7.140 -28.337 -4.774 1.00 10.00 C ATOM 666 CG HIS A 46 6.604 -27.197 -3.931 1.00 10.00 C ATOM 667 ND1 HIS A 46 7.254 -26.541 -2.908 1.00 10.00 N ATOM 668 CD2 HIS A 46 5.359 -26.634 -4.033 1.00 10.00 C ATOM 669 CE1 HIS A 46 6.427 -25.612 -2.402 1.00 10.00 C ATOM 670 NE2 HIS A 46 5.253 -25.627 -3.061 1.00 10.00 N ATOM 0 H HIS A 46 6.850 -29.116 -2.435 1.00 10.00 H new ATOM 0 HA HIS A 46 8.352 -30.145 -4.698 1.00 10.00 H new ATOM 0 HB2 HIS A 46 7.619 -27.916 -5.658 1.00 10.00 H new ATOM 0 HB3 HIS A 46 6.297 -28.933 -5.123 1.00 10.00 H new ATOM 0 HD1 HIS A 46 8.204 -26.730 -2.589 1.00 10.00 H new ATOM 0 HD2 HIS A 46 4.592 -26.916 -4.739 1.00 10.00 H new ATOM 0 HE1 HIS A 46 6.669 -24.949 -1.585 1.00 10.00 H new ATOM 678 N TYR A 47 10.375 -28.630 -4.893 1.00 10.00 N ATOM 679 CA TYR A 47 11.711 -28.038 -4.924 1.00 10.00 C ATOM 680 C TYR A 47 12.097 -27.748 -6.384 1.00 10.00 C ATOM 681 O TYR A 47 11.619 -28.418 -7.307 1.00 10.00 O ATOM 682 CB TYR A 47 12.720 -29.026 -4.318 1.00 10.00 C ATOM 683 CG TYR A 47 12.633 -29.230 -2.812 1.00 10.00 C ATOM 684 CD1 TYR A 47 13.183 -28.273 -1.935 1.00 10.00 C ATOM 685 CD2 TYR A 47 12.030 -30.390 -2.286 1.00 10.00 C ATOM 686 CE1 TYR A 47 13.165 -28.496 -0.544 1.00 10.00 C ATOM 687 CE2 TYR A 47 12.024 -30.625 -0.898 1.00 10.00 C ATOM 688 CZ TYR A 47 12.600 -29.680 -0.022 1.00 10.00 C ATOM 689 OH TYR A 47 12.617 -29.904 1.321 1.00 10.00 O ATOM 0 H TYR A 47 10.153 -29.123 -5.758 1.00 10.00 H new ATOM 0 HA TYR A 47 11.718 -27.112 -4.349 1.00 10.00 H new ATOM 0 HB2 TYR A 47 12.588 -29.993 -4.804 1.00 10.00 H new ATOM 0 HB3 TYR A 47 13.725 -28.682 -4.560 1.00 10.00 H new ATOM 0 HD1 TYR A 47 13.619 -27.367 -2.330 1.00 10.00 H new ATOM 0 HD2 TYR A 47 11.569 -31.104 -2.953 1.00 10.00 H new ATOM 0 HE1 TYR A 47 13.585 -27.759 0.125 1.00 10.00 H new ATOM 0 HE2 TYR A 47 11.579 -31.527 -0.504 1.00 10.00 H new ATOM 0 HH TYR A 47 12.187 -30.763 1.515 1.00 10.00 H new ATOM 699 N LEU A 48 12.970 -26.759 -6.599 1.00 10.00 N ATOM 700 CA LEU A 48 13.415 -26.338 -7.932 1.00 10.00 C ATOM 701 C LEU A 48 14.914 -26.602 -8.169 1.00 10.00 C ATOM 702 O LEU A 48 15.741 -26.439 -7.266 1.00 10.00 O ATOM 703 CB LEU A 48 13.083 -24.849 -8.155 1.00 10.00 C ATOM 704 CG LEU A 48 11.588 -24.479 -8.078 1.00 10.00 C ATOM 705 CD1 LEU A 48 11.419 -22.971 -8.272 1.00 10.00 C ATOM 706 CD2 LEU A 48 10.753 -25.190 -9.144 1.00 10.00 C ATOM 0 H LEU A 48 13.393 -26.221 -5.843 1.00 10.00 H new ATOM 0 HA LEU A 48 12.873 -26.943 -8.659 1.00 10.00 H new ATOM 0 HB2 LEU A 48 13.623 -24.260 -7.413 1.00 10.00 H new ATOM 0 HB3 LEU A 48 13.462 -24.554 -9.134 1.00 10.00 H new ATOM 0 HG LEU A 48 11.236 -24.795 -7.096 1.00 10.00 H new ATOM 0 HD11 LEU A 48 10.361 -22.713 -8.217 1.00 10.00 H new ATOM 0 HD12 LEU A 48 11.963 -22.440 -7.490 1.00 10.00 H new ATOM 0 HD13 LEU A 48 11.812 -22.683 -9.247 1.00 10.00 H new ATOM 0 HD21 LEU A 48 9.709 -24.894 -9.045 1.00 10.00 H new ATOM 0 HD22 LEU A 48 11.116 -24.914 -10.134 1.00 10.00 H new ATOM 0 HD23 LEU A 48 10.839 -26.269 -9.013 1.00 10.00 H new ATOM 718 N PHE A 49 15.253 -27.008 -9.396 1.00 10.00 N ATOM 719 CA PHE A 49 16.610 -27.330 -9.859 1.00 10.00 C ATOM 720 C PHE A 49 16.848 -26.725 -11.244 1.00 10.00 C ATOM 721 O PHE A 49 15.969 -26.775 -12.101 1.00 10.00 O ATOM 722 CB PHE A 49 16.752 -28.861 -9.891 1.00 10.00 C ATOM 723 CG PHE A 49 16.569 -29.513 -8.533 1.00 10.00 C ATOM 724 CD1 PHE A 49 17.679 -29.657 -7.684 1.00 10.00 C ATOM 725 CD2 PHE A 49 15.295 -29.923 -8.090 1.00 10.00 C ATOM 726 CE1 PHE A 49 17.516 -30.166 -6.386 1.00 10.00 C ATOM 727 CE2 PHE A 49 15.136 -30.447 -6.794 1.00 10.00 C ATOM 728 CZ PHE A 49 16.245 -30.563 -5.939 1.00 10.00 C ATOM 0 H PHE A 49 14.556 -27.128 -10.131 1.00 10.00 H new ATOM 0 HA PHE A 49 17.356 -26.909 -9.184 1.00 10.00 H new ATOM 0 HB2 PHE A 49 16.018 -29.272 -10.585 1.00 10.00 H new ATOM 0 HB3 PHE A 49 17.737 -29.119 -10.280 1.00 10.00 H new ATOM 0 HD1 PHE A 49 18.662 -29.375 -8.031 1.00 10.00 H new ATOM 0 HD2 PHE A 49 14.441 -29.835 -8.745 1.00 10.00 H new ATOM 0 HE1 PHE A 49 18.369 -30.253 -5.730 1.00 10.00 H new ATOM 0 HE2 PHE A 49 14.160 -30.761 -6.456 1.00 10.00 H new ATOM 0 HZ PHE A 49 16.120 -30.956 -4.941 1.00 10.00 H new ATOM 738 N ASN A 50 18.037 -26.170 -11.485 1.00 10.00 N ATOM 739 CA ASN A 50 18.420 -25.575 -12.770 1.00 10.00 C ATOM 740 C ASN A 50 19.664 -26.241 -13.366 1.00 10.00 C ATOM 741 O ASN A 50 20.316 -27.067 -12.725 1.00 10.00 O ATOM 742 CB ASN A 50 18.550 -24.048 -12.632 1.00 10.00 C ATOM 743 CG ASN A 50 19.645 -23.623 -11.671 1.00 10.00 C ATOM 744 OD1 ASN A 50 20.816 -23.892 -11.885 1.00 10.00 O ATOM 745 ND2 ASN A 50 19.313 -22.968 -10.583 1.00 10.00 N ATOM 0 H ASN A 50 18.774 -26.120 -10.782 1.00 10.00 H new ATOM 0 HA ASN A 50 17.625 -25.765 -13.491 1.00 10.00 H new ATOM 0 HB2 ASN A 50 18.750 -23.617 -13.613 1.00 10.00 H new ATOM 0 HB3 ASN A 50 17.599 -23.639 -12.292 1.00 10.00 H new ATOM 0 HD21 ASN A 50 20.033 -22.685 -9.918 1.00 10.00 H new ATOM 0 HD22 ASN A 50 18.335 -22.742 -10.402 1.00 10.00 H new ATOM 752 N ALA A 51 19.989 -25.866 -14.601 1.00 10.00 N ATOM 753 CA ALA A 51 21.121 -26.427 -15.340 1.00 10.00 C ATOM 754 C ALA A 51 22.462 -26.309 -14.589 1.00 10.00 C ATOM 755 O ALA A 51 23.229 -27.272 -14.555 1.00 10.00 O ATOM 756 CB ALA A 51 21.185 -25.751 -16.715 1.00 10.00 C ATOM 0 H ALA A 51 19.471 -25.159 -15.122 1.00 10.00 H new ATOM 0 HA ALA A 51 20.957 -27.499 -15.454 1.00 10.00 H new ATOM 0 HB1 ALA A 51 22.024 -26.157 -17.281 1.00 10.00 H new ATOM 0 HB2 ALA A 51 20.257 -25.938 -17.256 1.00 10.00 H new ATOM 0 HB3 ALA A 51 21.320 -24.677 -16.587 1.00 10.00 H new ATOM 762 N MET A 52 22.733 -25.165 -13.950 1.00 10.00 N ATOM 763 CA MET A 52 23.958 -24.953 -13.168 1.00 10.00 C ATOM 764 C MET A 52 23.969 -25.774 -11.868 1.00 10.00 C ATOM 765 O MET A 52 25.003 -26.330 -11.500 1.00 10.00 O ATOM 766 CB MET A 52 24.157 -23.458 -12.863 1.00 10.00 C ATOM 767 CG MET A 52 24.268 -22.596 -14.128 1.00 10.00 C ATOM 768 SD MET A 52 25.642 -23.027 -15.236 1.00 10.00 S ATOM 769 CE MET A 52 25.328 -21.847 -16.577 1.00 10.00 C ATOM 0 H MET A 52 22.109 -24.359 -13.960 1.00 10.00 H new ATOM 0 HA MET A 52 24.791 -25.303 -13.778 1.00 10.00 H new ATOM 0 HB2 MET A 52 23.322 -23.102 -12.260 1.00 10.00 H new ATOM 0 HB3 MET A 52 25.059 -23.332 -12.264 1.00 10.00 H new ATOM 0 HG2 MET A 52 23.334 -22.674 -14.685 1.00 10.00 H new ATOM 0 HG3 MET A 52 24.375 -21.553 -13.830 1.00 10.00 H new ATOM 0 HE1 MET A 52 26.083 -21.970 -17.354 1.00 10.00 H new ATOM 0 HE2 MET A 52 24.340 -22.030 -16.999 1.00 10.00 H new ATOM 0 HE3 MET A 52 25.372 -20.831 -16.185 1.00 10.00 H new ATOM 779 N ASP A 53 22.830 -25.898 -11.178 1.00 10.00 N ATOM 780 CA ASP A 53 22.726 -26.676 -9.942 1.00 10.00 C ATOM 781 C ASP A 53 22.900 -28.181 -10.206 1.00 10.00 C ATOM 782 O ASP A 53 23.645 -28.865 -9.503 1.00 10.00 O ATOM 783 CB ASP A 53 21.366 -26.373 -9.316 1.00 10.00 C ATOM 784 CG ASP A 53 21.274 -26.870 -7.874 1.00 10.00 C ATOM 785 OD1 ASP A 53 21.903 -26.283 -6.964 1.00 10.00 O ATOM 786 OD2 ASP A 53 20.494 -27.808 -7.618 1.00 10.00 O ATOM 0 H ASP A 53 21.954 -25.460 -11.463 1.00 10.00 H new ATOM 0 HA ASP A 53 23.525 -26.394 -9.256 1.00 10.00 H new ATOM 0 HB2 ASP A 53 21.187 -25.298 -9.341 1.00 10.00 H new ATOM 0 HB3 ASP A 53 20.581 -26.840 -9.911 1.00 10.00 H new ATOM 791 N ILE A 54 22.266 -28.688 -11.268 1.00 10.00 N ATOM 792 CA ILE A 54 22.379 -30.078 -11.719 1.00 10.00 C ATOM 793 C ILE A 54 23.812 -30.370 -12.192 1.00 10.00 C ATOM 794 O ILE A 54 24.332 -31.457 -11.933 1.00 10.00 O ATOM 795 CB ILE A 54 21.299 -30.349 -12.789 1.00 10.00 C ATOM 796 CG1 ILE A 54 19.916 -30.347 -12.093 1.00 10.00 C ATOM 797 CG2 ILE A 54 21.528 -31.685 -13.515 1.00 10.00 C ATOM 798 CD1 ILE A 54 18.730 -30.273 -13.057 1.00 10.00 C ATOM 0 H ILE A 54 21.644 -28.129 -11.852 1.00 10.00 H new ATOM 0 HA ILE A 54 22.194 -30.770 -10.897 1.00 10.00 H new ATOM 0 HB ILE A 54 21.350 -29.567 -13.546 1.00 10.00 H new ATOM 0 HG12 ILE A 54 19.824 -31.250 -11.490 1.00 10.00 H new ATOM 0 HG13 ILE A 54 19.867 -29.500 -11.409 1.00 10.00 H new ATOM 0 HG21 ILE A 54 20.745 -31.834 -14.258 1.00 10.00 H new ATOM 0 HG22 ILE A 54 22.499 -31.669 -14.009 1.00 10.00 H new ATOM 0 HG23 ILE A 54 21.502 -32.501 -12.793 1.00 10.00 H new ATOM 0 HD11 ILE A 54 17.799 -30.276 -12.490 1.00 10.00 H new ATOM 0 HD12 ILE A 54 18.794 -29.356 -13.643 1.00 10.00 H new ATOM 0 HD13 ILE A 54 18.750 -31.134 -13.726 1.00 10.00 H new ATOM 810 N ALA A 55 24.486 -29.397 -12.815 1.00 10.00 N ATOM 811 CA ALA A 55 25.887 -29.545 -13.225 1.00 10.00 C ATOM 812 C ALA A 55 26.816 -29.716 -12.005 1.00 10.00 C ATOM 813 O ALA A 55 27.759 -30.509 -12.051 1.00 10.00 O ATOM 814 CB ALA A 55 26.303 -28.356 -14.100 1.00 10.00 C ATOM 0 H ALA A 55 24.079 -28.491 -13.048 1.00 10.00 H new ATOM 0 HA ALA A 55 25.984 -30.454 -13.819 1.00 10.00 H new ATOM 0 HB1 ALA A 55 27.344 -28.472 -14.401 1.00 10.00 H new ATOM 0 HB2 ALA A 55 25.671 -28.318 -14.987 1.00 10.00 H new ATOM 0 HB3 ALA A 55 26.190 -27.431 -13.535 1.00 10.00 H new ATOM 820 N GLU A 56 26.534 -29.028 -10.892 1.00 10.00 N ATOM 821 CA GLU A 56 27.284 -29.186 -9.639 1.00 10.00 C ATOM 822 C GLU A 56 26.955 -30.531 -8.969 1.00 10.00 C ATOM 823 O GLU A 56 27.869 -31.215 -8.509 1.00 10.00 O ATOM 824 CB GLU A 56 27.020 -28.009 -8.687 1.00 10.00 C ATOM 825 CG GLU A 56 27.753 -26.741 -9.150 1.00 10.00 C ATOM 826 CD GLU A 56 27.521 -25.563 -8.182 1.00 10.00 C ATOM 827 OE1 GLU A 56 28.003 -25.619 -7.024 1.00 10.00 O ATOM 828 OE2 GLU A 56 26.881 -24.557 -8.575 1.00 10.00 O ATOM 0 H GLU A 56 25.779 -28.345 -10.834 1.00 10.00 H new ATOM 0 HA GLU A 56 28.347 -29.185 -9.879 1.00 10.00 H new ATOM 0 HB2 GLU A 56 25.949 -27.814 -8.635 1.00 10.00 H new ATOM 0 HB3 GLU A 56 27.345 -28.273 -7.681 1.00 10.00 H new ATOM 0 HG2 GLU A 56 28.821 -26.945 -9.226 1.00 10.00 H new ATOM 0 HG3 GLU A 56 27.410 -26.466 -10.147 1.00 10.00 H new ATOM 835 N ILE A 57 25.687 -30.968 -8.969 1.00 10.00 N ATOM 836 CA ILE A 57 25.268 -32.284 -8.439 1.00 10.00 C ATOM 837 C ILE A 57 26.018 -33.409 -9.174 1.00 10.00 C ATOM 838 O ILE A 57 26.537 -34.331 -8.541 1.00 10.00 O ATOM 839 CB ILE A 57 23.725 -32.423 -8.550 1.00 10.00 C ATOM 840 CG1 ILE A 57 23.046 -31.539 -7.477 1.00 10.00 C ATOM 841 CG2 ILE A 57 23.231 -33.879 -8.422 1.00 10.00 C ATOM 842 CD1 ILE A 57 21.560 -31.262 -7.742 1.00 10.00 C ATOM 0 H ILE A 57 24.913 -30.417 -9.339 1.00 10.00 H new ATOM 0 HA ILE A 57 25.527 -32.364 -7.383 1.00 10.00 H new ATOM 0 HB ILE A 57 23.449 -32.089 -9.550 1.00 10.00 H new ATOM 0 HG12 ILE A 57 23.147 -32.023 -6.506 1.00 10.00 H new ATOM 0 HG13 ILE A 57 23.576 -30.589 -7.416 1.00 10.00 H new ATOM 0 HG21 ILE A 57 22.145 -33.904 -8.509 1.00 10.00 H new ATOM 0 HG22 ILE A 57 23.672 -34.484 -9.214 1.00 10.00 H new ATOM 0 HG23 ILE A 57 23.527 -34.280 -7.452 1.00 10.00 H new ATOM 0 HD11 ILE A 57 21.159 -30.636 -6.945 1.00 10.00 H new ATOM 0 HD12 ILE A 57 21.450 -30.748 -8.697 1.00 10.00 H new ATOM 0 HD13 ILE A 57 21.014 -32.205 -7.773 1.00 10.00 H new