USER MOD reduce.3.24.130724 H: found=0, std=0, add=344, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 344 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: P 20 HIS : no HD1:sc= -1.47 K(o=-2.6,f=-4.7!) USER MOD Set 1.2: P 38 LYS NZ :NH3+ -171:sc= -1.17! (180deg=-1.18!) USER MOD Single : P 10 THR OG1 : rot 180:sc= 0.378 USER MOD Single : P 11 SER OG : rot 180:sc= 0 USER MOD Single : P 12 SER OG : rot 180:sc= 0 USER MOD Single : P 13 GLN : amide:sc= 0.188 X(o=0.19,f=-0.098) USER MOD Single : P 19 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.012) USER MOD Single : P 23 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : P 26 TYR OH : rot 180:sc= 0 USER MOD Single : P 28 THR OG1 : rot -140:sc= 0.533 USER MOD Single : P 36 SER OG : rot -44:sc= 1.21 USER MOD Single : P 43 THR OG1 : rot 180:sc= 0.00486 USER MOD Single : P 45 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.3) USER MOD Single : P 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N THR P 10 -14.603 -5.288 -1.749 1.00 0.00 N ATOM 159 CA THR P 10 -15.857 -5.735 -2.316 1.00 0.00 C ATOM 160 C THR P 10 -16.494 -4.688 -3.216 1.00 0.00 C ATOM 161 O THR P 10 -16.047 -3.518 -3.171 1.00 0.00 O ATOM 162 CB THR P 10 -16.790 -6.221 -1.242 1.00 0.00 C ATOM 163 OG1 THR P 10 -17.134 -5.108 -0.482 1.00 0.00 O ATOM 164 CG2 THR P 10 -16.316 -7.431 -0.358 1.00 0.00 C ATOM 0 HA THR P 10 -15.639 -6.584 -2.964 1.00 0.00 H new ATOM 0 HB THR P 10 -17.647 -6.670 -1.743 1.00 0.00 H new ATOM 0 HG1 THR P 10 -17.746 -5.378 0.234 1.00 0.00 H new ATOM 0 HG21 THR P 10 -17.088 -7.672 0.373 1.00 0.00 H new ATOM 0 HG22 THR P 10 -16.135 -8.297 -0.994 1.00 0.00 H new ATOM 0 HG23 THR P 10 -15.396 -7.164 0.161 1.00 0.00 H new ATOM 172 N SER P 11 -17.575 -4.959 -3.997 1.00 0.00 N ATOM 173 CA SER P 11 -18.441 -3.904 -4.547 1.00 0.00 C ATOM 174 C SER P 11 -18.961 -2.897 -3.546 1.00 0.00 C ATOM 175 O SER P 11 -18.889 -1.677 -3.802 1.00 0.00 O ATOM 176 CB SER P 11 -19.593 -4.657 -5.303 1.00 0.00 C ATOM 177 OG SER P 11 -19.173 -5.602 -6.310 1.00 0.00 O ATOM 0 H SER P 11 -17.860 -5.904 -4.255 1.00 0.00 H new ATOM 0 HA SER P 11 -17.855 -3.268 -5.211 1.00 0.00 H new ATOM 0 HB2 SER P 11 -20.200 -5.185 -4.567 1.00 0.00 H new ATOM 0 HB3 SER P 11 -20.238 -3.915 -5.775 1.00 0.00 H new ATOM 0 HG SER P 11 -19.961 -6.016 -6.719 1.00 0.00 H new ATOM 183 N SER P 12 -19.456 -3.343 -2.387 1.00 0.00 N ATOM 184 CA SER P 12 -19.928 -2.496 -1.277 1.00 0.00 C ATOM 185 C SER P 12 -18.748 -1.576 -0.710 1.00 0.00 C ATOM 186 O SER P 12 -18.955 -0.449 -0.407 1.00 0.00 O ATOM 187 CB SER P 12 -20.451 -3.278 -0.073 1.00 0.00 C ATOM 188 OG SER P 12 -21.699 -3.879 -0.399 1.00 0.00 O ATOM 0 H SER P 12 -19.544 -4.339 -2.185 1.00 0.00 H new ATOM 0 HA SER P 12 -20.739 -1.916 -1.718 1.00 0.00 H new ATOM 0 HB2 SER P 12 -19.732 -4.044 0.216 1.00 0.00 H new ATOM 0 HB3 SER P 12 -20.569 -2.613 0.782 1.00 0.00 H new ATOM 0 HG SER P 12 -22.032 -4.381 0.374 1.00 0.00 H new ATOM 194 N GLN P 13 -17.589 -2.139 -0.553 1.00 0.00 N ATOM 195 CA GLN P 13 -16.406 -1.337 -0.050 1.00 0.00 C ATOM 196 C GLN P 13 -15.927 -0.423 -1.120 1.00 0.00 C ATOM 197 O GLN P 13 -15.888 0.792 -0.878 1.00 0.00 O ATOM 198 CB GLN P 13 -15.266 -2.185 0.436 1.00 0.00 C ATOM 199 CG GLN P 13 -15.813 -2.931 1.696 1.00 0.00 C ATOM 200 CD GLN P 13 -14.636 -3.769 2.319 1.00 0.00 C ATOM 201 OE1 GLN P 13 -13.849 -4.335 1.609 1.00 0.00 O ATOM 202 NE2 GLN P 13 -14.392 -3.536 3.571 1.00 0.00 N ATOM 0 H GLN P 13 -17.392 -3.121 -0.747 1.00 0.00 H new ATOM 0 HA GLN P 13 -16.761 -0.771 0.811 1.00 0.00 H new ATOM 0 HB2 GLN P 13 -14.946 -2.891 -0.331 1.00 0.00 H new ATOM 0 HB3 GLN P 13 -14.400 -1.573 0.687 1.00 0.00 H new ATOM 0 HG2 GLN P 13 -16.198 -2.217 2.424 1.00 0.00 H new ATOM 0 HG3 GLN P 13 -16.641 -3.584 1.422 1.00 0.00 H new ATOM 0 HE21 GLN P 13 -15.084 -3.053 4.144 1.00 0.00 H new ATOM 0 HE22 GLN P 13 -13.508 -3.836 3.983 1.00 0.00 H new ATOM 211 N ILE P 14 -15.780 -0.867 -2.404 1.00 0.00 N ATOM 212 CA ILE P 14 -15.543 0.077 -3.543 1.00 0.00 C ATOM 213 C ILE P 14 -16.600 1.195 -3.583 1.00 0.00 C ATOM 214 O ILE P 14 -16.262 2.280 -3.967 1.00 0.00 O ATOM 215 CB ILE P 14 -15.529 -0.729 -4.884 1.00 0.00 C ATOM 216 CG1 ILE P 14 -14.192 -1.532 -4.817 1.00 0.00 C ATOM 217 CG2 ILE P 14 -15.680 0.110 -6.147 1.00 0.00 C ATOM 218 CD1 ILE P 14 -14.216 -2.751 -5.824 1.00 0.00 C ATOM 0 H ILE P 14 -15.820 -1.850 -2.674 1.00 0.00 H new ATOM 0 HA ILE P 14 -14.577 0.561 -3.401 1.00 0.00 H new ATOM 0 HB ILE P 14 -16.404 -1.374 -4.967 1.00 0.00 H new ATOM 0 HG12 ILE P 14 -13.356 -0.875 -5.055 1.00 0.00 H new ATOM 0 HG13 ILE P 14 -14.032 -1.896 -3.802 1.00 0.00 H new ATOM 0 HG21 ILE P 14 -15.658 -0.541 -7.021 1.00 0.00 H new ATOM 0 HG22 ILE P 14 -16.629 0.645 -6.117 1.00 0.00 H new ATOM 0 HG23 ILE P 14 -14.861 0.827 -6.208 1.00 0.00 H new ATOM 0 HD11 ILE P 14 -13.274 -3.295 -5.759 1.00 0.00 H new ATOM 0 HD12 ILE P 14 -15.039 -3.418 -5.568 1.00 0.00 H new ATOM 0 HD13 ILE P 14 -14.352 -2.381 -6.840 1.00 0.00 H new ATOM 230 N ALA P 15 -17.849 0.934 -3.208 1.00 0.00 N ATOM 231 CA ALA P 15 -18.859 1.910 -3.132 1.00 0.00 C ATOM 232 C ALA P 15 -18.671 2.974 -2.086 1.00 0.00 C ATOM 233 O ALA P 15 -18.896 4.131 -2.360 1.00 0.00 O ATOM 234 CB ALA P 15 -20.256 1.234 -3.051 1.00 0.00 C ATOM 0 H ALA P 15 -18.166 0.000 -2.947 1.00 0.00 H new ATOM 0 HA ALA P 15 -18.784 2.475 -4.061 1.00 0.00 H new ATOM 0 HB1 ALA P 15 -21.028 2.001 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA P 15 -20.417 0.624 -3.940 1.00 0.00 H new ATOM 0 HB3 ALA P 15 -20.304 0.603 -2.164 1.00 0.00 H new ATOM 240 N GLU P 16 -18.399 2.624 -0.848 1.00 0.00 N ATOM 241 CA GLU P 16 -18.016 3.584 0.190 1.00 0.00 C ATOM 242 C GLU P 16 -16.797 4.399 -0.284 1.00 0.00 C ATOM 243 O GLU P 16 -16.893 5.629 -0.253 1.00 0.00 O ATOM 244 CB GLU P 16 -17.559 2.756 1.426 1.00 0.00 C ATOM 245 CG GLU P 16 -18.490 2.387 2.567 1.00 0.00 C ATOM 246 CD GLU P 16 -19.195 3.661 3.127 1.00 0.00 C ATOM 247 OE1 GLU P 16 -20.366 3.971 2.726 1.00 0.00 O ATOM 248 OE2 GLU P 16 -18.514 4.384 3.890 1.00 0.00 O ATOM 0 H GLU P 16 -18.435 1.659 -0.520 1.00 0.00 H new ATOM 0 HA GLU P 16 -18.849 4.250 0.415 1.00 0.00 H new ATOM 0 HB2 GLU P 16 -17.158 1.819 1.039 1.00 0.00 H new ATOM 0 HB3 GLU P 16 -16.726 3.300 1.871 1.00 0.00 H new ATOM 0 HG2 GLU P 16 -19.237 1.673 2.219 1.00 0.00 H new ATOM 0 HG3 GLU P 16 -17.926 1.897 3.361 1.00 0.00 H new ATOM 255 N LEU P 17 -15.766 3.686 -0.712 1.00 0.00 N ATOM 256 CA LEU P 17 -14.483 4.220 -1.217 1.00 0.00 C ATOM 257 C LEU P 17 -14.713 5.320 -2.229 1.00 0.00 C ATOM 258 O LEU P 17 -14.110 6.394 -2.164 1.00 0.00 O ATOM 259 CB LEU P 17 -13.526 3.095 -1.654 1.00 0.00 C ATOM 260 CG LEU P 17 -12.881 2.567 -0.341 1.00 0.00 C ATOM 261 CD1 LEU P 17 -12.348 1.181 -0.506 1.00 0.00 C ATOM 262 CD2 LEU P 17 -11.753 3.444 0.261 1.00 0.00 C ATOM 0 H LEU P 17 -15.790 2.666 -0.722 1.00 0.00 H new ATOM 0 HA LEU P 17 -13.950 4.707 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU P 17 -14.064 2.302 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU P 17 -12.767 3.470 -2.341 1.00 0.00 H new ATOM 0 HG LEU P 17 -13.713 2.595 0.363 1.00 0.00 H new ATOM 0 HD11 LEU P 17 -11.905 0.847 0.433 1.00 0.00 H new ATOM 0 HD12 LEU P 17 -13.160 0.509 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU P 17 -11.589 1.174 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU P 17 -11.378 2.979 1.173 1.00 0.00 H new ATOM 0 HD22 LEU P 17 -10.940 3.537 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU P 17 -12.146 4.434 0.494 1.00 0.00 H new ATOM 274 N GLU P 18 -15.548 5.000 -3.250 1.00 0.00 N ATOM 275 CA GLU P 18 -16.117 5.931 -4.206 1.00 0.00 C ATOM 276 C GLU P 18 -16.947 7.064 -3.575 1.00 0.00 C ATOM 277 O GLU P 18 -16.739 8.219 -3.945 1.00 0.00 O ATOM 278 CB GLU P 18 -17.111 5.168 -5.115 1.00 0.00 C ATOM 279 CG GLU P 18 -16.420 4.273 -6.110 1.00 0.00 C ATOM 280 CD GLU P 18 -16.121 4.999 -7.502 1.00 0.00 C ATOM 281 OE1 GLU P 18 -15.815 4.280 -8.449 1.00 0.00 O ATOM 282 OE2 GLU P 18 -16.157 6.221 -7.634 1.00 0.00 O ATOM 0 H GLU P 18 -15.844 4.039 -3.420 1.00 0.00 H new ATOM 0 HA GLU P 18 -15.263 6.363 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU P 18 -17.777 4.568 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU P 18 -17.733 5.886 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU P 18 -15.482 3.920 -5.682 1.00 0.00 H new ATOM 0 HG3 GLU P 18 -17.039 3.394 -6.291 1.00 0.00 H new ATOM 289 N GLN P 19 -17.963 6.759 -2.790 1.00 0.00 N ATOM 290 CA GLN P 19 -18.885 7.797 -2.322 1.00 0.00 C ATOM 291 C GLN P 19 -18.101 8.934 -1.480 1.00 0.00 C ATOM 292 O GLN P 19 -18.284 10.128 -1.693 1.00 0.00 O ATOM 293 CB GLN P 19 -19.976 7.179 -1.457 1.00 0.00 C ATOM 294 CG GLN P 19 -21.427 7.554 -1.866 1.00 0.00 C ATOM 295 CD GLN P 19 -21.903 9.053 -1.652 1.00 0.00 C ATOM 296 OE1 GLN P 19 -21.860 9.542 -0.563 1.00 0.00 O ATOM 297 NE2 GLN P 19 -22.343 9.691 -2.706 1.00 0.00 N ATOM 0 H GLN P 19 -18.176 5.817 -2.462 1.00 0.00 H new ATOM 0 HA GLN P 19 -19.337 8.265 -3.196 1.00 0.00 H new ATOM 0 HB2 GLN P 19 -19.874 6.094 -1.489 1.00 0.00 H new ATOM 0 HB3 GLN P 19 -19.815 7.484 -0.423 1.00 0.00 H new ATOM 0 HG2 GLN P 19 -21.548 7.314 -2.922 1.00 0.00 H new ATOM 0 HG3 GLN P 19 -22.107 6.907 -1.312 1.00 0.00 H new ATOM 0 HE21 GLN P 19 -22.358 9.226 -3.614 1.00 0.00 H new ATOM 0 HE22 GLN P 19 -22.671 10.653 -2.620 1.00 0.00 H new ATOM 306 N HIS P 20 -17.185 8.512 -0.574 1.00 0.00 N ATOM 307 CA HIS P 20 -16.454 9.529 0.223 1.00 0.00 C ATOM 308 C HIS P 20 -15.292 10.085 -0.571 1.00 0.00 C ATOM 309 O HIS P 20 -15.036 11.251 -0.355 1.00 0.00 O ATOM 310 CB HIS P 20 -16.162 8.951 1.582 1.00 0.00 C ATOM 311 CG HIS P 20 -17.489 8.599 2.215 1.00 0.00 C ATOM 312 ND1 HIS P 20 -18.399 9.397 2.755 1.00 0.00 N ATOM 313 CD2 HIS P 20 -17.835 7.341 2.570 1.00 0.00 C ATOM 314 CE1 HIS P 20 -19.338 8.720 3.445 1.00 0.00 C ATOM 315 NE2 HIS P 20 -19.084 7.424 3.283 1.00 0.00 N ATOM 0 H HIS P 20 -16.944 7.539 -0.383 1.00 0.00 H new ATOM 0 HA HIS P 20 -17.050 10.419 0.425 1.00 0.00 H new ATOM 0 HB2 HIS P 20 -15.531 8.067 1.496 1.00 0.00 H new ATOM 0 HB3 HIS P 20 -15.621 9.670 2.197 1.00 0.00 H new ATOM 0 HD2 HIS P 20 -17.278 6.440 2.358 1.00 0.00 H new ATOM 0 HE1 HIS P 20 -20.145 9.149 4.021 1.00 0.00 H new ATOM 0 HE2 HIS P 20 -19.659 6.644 3.601 1.00 0.00 H new ATOM 323 N PHE P 21 -14.740 9.354 -1.518 1.00 0.00 N ATOM 324 CA PHE P 21 -13.905 10.053 -2.532 1.00 0.00 C ATOM 325 C PHE P 21 -14.616 11.241 -3.208 1.00 0.00 C ATOM 326 O PHE P 21 -13.899 12.197 -3.477 1.00 0.00 O ATOM 327 CB PHE P 21 -13.592 8.992 -3.662 1.00 0.00 C ATOM 328 CG PHE P 21 -13.371 9.412 -5.095 1.00 0.00 C ATOM 329 CD1 PHE P 21 -14.397 9.504 -6.045 1.00 0.00 C ATOM 330 CD2 PHE P 21 -12.058 9.736 -5.500 1.00 0.00 C ATOM 331 CE1 PHE P 21 -14.240 10.053 -7.285 1.00 0.00 C ATOM 332 CE2 PHE P 21 -11.871 10.112 -6.789 1.00 0.00 C ATOM 333 CZ PHE P 21 -12.918 10.287 -7.724 1.00 0.00 C ATOM 0 H PHE P 21 -14.830 8.344 -1.625 1.00 0.00 H new ATOM 0 HA PHE P 21 -13.023 10.448 -2.028 1.00 0.00 H new ATOM 0 HB2 PHE P 21 -12.700 8.449 -3.349 1.00 0.00 H new ATOM 0 HB3 PHE P 21 -14.416 8.278 -3.664 1.00 0.00 H new ATOM 0 HD1 PHE P 21 -15.370 9.117 -5.780 1.00 0.00 H new ATOM 0 HD2 PHE P 21 -11.231 9.686 -4.807 1.00 0.00 H new ATOM 0 HE1 PHE P 21 -15.090 10.298 -7.904 1.00 0.00 H new ATOM 0 HE2 PHE P 21 -10.859 10.289 -7.123 1.00 0.00 H new ATOM 0 HZ PHE P 21 -12.713 10.590 -8.740 1.00 0.00 H new ATOM 343 N LEU P 22 -15.946 11.289 -3.354 1.00 0.00 N ATOM 344 CA LEU P 22 -16.711 12.399 -3.898 1.00 0.00 C ATOM 345 C LEU P 22 -16.488 13.732 -3.128 1.00 0.00 C ATOM 346 O LEU P 22 -16.678 14.919 -3.569 1.00 0.00 O ATOM 347 CB LEU P 22 -18.208 12.201 -4.054 1.00 0.00 C ATOM 348 CG LEU P 22 -18.670 10.941 -4.820 1.00 0.00 C ATOM 349 CD1 LEU P 22 -20.235 11.064 -4.996 1.00 0.00 C ATOM 350 CD2 LEU P 22 -18.111 10.913 -6.262 1.00 0.00 C ATOM 0 H LEU P 22 -16.542 10.508 -3.079 1.00 0.00 H new ATOM 0 HA LEU P 22 -16.295 12.448 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU P 22 -18.652 12.175 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU P 22 -18.615 13.075 -4.562 1.00 0.00 H new ATOM 0 HG LEU P 22 -18.338 10.061 -4.269 1.00 0.00 H new ATOM 0 HD11 LEU P 22 -20.610 10.193 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU P 22 -20.708 11.116 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU P 22 -20.468 11.967 -5.560 1.00 0.00 H new ATOM 0 HD21 LEU P 22 -18.457 10.012 -6.769 1.00 0.00 H new ATOM 0 HD22 LEU P 22 -18.460 11.792 -6.805 1.00 0.00 H new ATOM 0 HD23 LEU P 22 -17.021 10.915 -6.230 1.00 0.00 H new ATOM 362 N GLN P 23 -16.004 13.570 -1.859 1.00 0.00 N ATOM 363 CA GLN P 23 -15.629 14.731 -1.011 1.00 0.00 C ATOM 364 C GLN P 23 -14.138 15.089 -1.171 1.00 0.00 C ATOM 365 O GLN P 23 -13.741 16.144 -0.643 1.00 0.00 O ATOM 366 CB GLN P 23 -16.026 14.318 0.414 1.00 0.00 C ATOM 367 CG GLN P 23 -17.444 13.760 0.611 1.00 0.00 C ATOM 368 CD GLN P 23 -18.469 14.668 0.081 1.00 0.00 C ATOM 369 OE1 GLN P 23 -18.448 15.881 0.102 1.00 0.00 O ATOM 370 NE2 GLN P 23 -19.502 14.138 -0.531 1.00 0.00 N ATOM 0 H GLN P 23 -15.869 12.662 -1.413 1.00 0.00 H new ATOM 0 HA GLN P 23 -16.141 15.650 -1.296 1.00 0.00 H new ATOM 0 HB2 GLN P 23 -15.316 13.567 0.759 1.00 0.00 H new ATOM 0 HB3 GLN P 23 -15.911 15.187 1.062 1.00 0.00 H new ATOM 0 HG2 GLN P 23 -17.525 12.792 0.116 1.00 0.00 H new ATOM 0 HG3 GLN P 23 -17.623 13.591 1.673 1.00 0.00 H new ATOM 0 HE21 GLN P 23 -19.593 13.124 -0.592 1.00 0.00 H new ATOM 0 HE22 GLN P 23 -20.213 14.740 -0.946 1.00 0.00 H new ATOM 379 N GLY P 24 -13.258 14.218 -1.707 1.00 0.00 N ATOM 380 CA GLY P 24 -11.844 14.413 -1.665 1.00 0.00 C ATOM 381 C GLY P 24 -11.037 13.456 -2.642 1.00 0.00 C ATOM 382 O GLY P 24 -10.629 12.354 -2.208 1.00 0.00 O ATOM 0 H GLY P 24 -13.540 13.359 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY P 24 -11.622 15.449 -1.920 1.00 0.00 H new ATOM 0 HA3 GLY P 24 -11.495 14.254 -0.645 1.00 0.00 H new ATOM 386 N ARG P 25 -10.932 13.854 -3.969 1.00 0.00 N ATOM 387 CA ARG P 25 -10.412 13.069 -5.080 1.00 0.00 C ATOM 388 C ARG P 25 -9.007 12.433 -4.948 1.00 0.00 C ATOM 389 O ARG P 25 -8.673 11.534 -5.749 1.00 0.00 O ATOM 390 CB ARG P 25 -10.467 13.952 -6.258 1.00 0.00 C ATOM 391 CG ARG P 25 -11.623 13.800 -7.303 1.00 0.00 C ATOM 392 CD ARG P 25 -12.913 13.868 -6.545 1.00 0.00 C ATOM 393 NE ARG P 25 -14.019 13.524 -7.565 1.00 0.00 N ATOM 394 CZ ARG P 25 -15.089 14.293 -7.693 1.00 0.00 C ATOM 395 NH1 ARG P 25 -15.390 15.200 -6.828 1.00 0.00 N ATOM 396 NH2 ARG P 25 -15.860 14.159 -8.688 1.00 0.00 N ATOM 0 H ARG P 25 -11.232 14.782 -4.267 1.00 0.00 H new ATOM 0 HA ARG P 25 -11.039 12.180 -5.139 1.00 0.00 H new ATOM 0 HB2 ARG P 25 -10.495 14.978 -5.892 1.00 0.00 H new ATOM 0 HB3 ARG P 25 -9.527 13.832 -6.796 1.00 0.00 H new ATOM 0 HG2 ARG P 25 -11.573 14.592 -8.050 1.00 0.00 H new ATOM 0 HG3 ARG P 25 -11.539 12.853 -7.836 1.00 0.00 H new ATOM 0 HD2 ARG P 25 -12.915 13.163 -5.713 1.00 0.00 H new ATOM 0 HD3 ARG P 25 -13.066 14.861 -6.122 1.00 0.00 H new ATOM 0 HE ARG P 25 -13.924 12.693 -8.148 1.00 0.00 H new ATOM 0 HH11 ARG P 25 -14.795 15.344 -6.012 1.00 0.00 H new ATOM 0 HH12 ARG P 25 -16.223 15.774 -6.960 1.00 0.00 H new ATOM 0 HH21 ARG P 25 -15.659 13.455 -9.398 1.00 0.00 H new ATOM 0 HH22 ARG P 25 -16.683 14.755 -8.780 1.00 0.00 H new ATOM 410 N TYR P 26 -8.188 12.868 -4.036 1.00 0.00 N ATOM 411 CA TYR P 26 -6.818 12.448 -3.815 1.00 0.00 C ATOM 412 C TYR P 26 -6.551 12.208 -2.316 1.00 0.00 C ATOM 413 O TYR P 26 -5.464 12.460 -1.800 1.00 0.00 O ATOM 414 CB TYR P 26 -5.886 13.538 -4.326 1.00 0.00 C ATOM 415 CG TYR P 26 -6.135 14.050 -5.712 1.00 0.00 C ATOM 416 CD1 TYR P 26 -5.230 13.691 -6.758 1.00 0.00 C ATOM 417 CD2 TYR P 26 -7.114 15.023 -5.949 1.00 0.00 C ATOM 418 CE1 TYR P 26 -5.293 14.399 -7.973 1.00 0.00 C ATOM 419 CE2 TYR P 26 -7.242 15.618 -7.222 1.00 0.00 C ATOM 420 CZ TYR P 26 -6.369 15.278 -8.241 1.00 0.00 C ATOM 421 OH TYR P 26 -6.694 15.796 -9.455 1.00 0.00 O ATOM 0 H TYR P 26 -8.476 13.584 -3.369 1.00 0.00 H new ATOM 0 HA TYR P 26 -6.643 11.513 -4.348 1.00 0.00 H new ATOM 0 HB2 TYR P 26 -5.942 14.382 -3.638 1.00 0.00 H new ATOM 0 HB3 TYR P 26 -4.865 13.159 -4.283 1.00 0.00 H new ATOM 0 HD1 TYR P 26 -4.514 12.895 -6.619 1.00 0.00 H new ATOM 0 HD2 TYR P 26 -7.777 15.321 -5.150 1.00 0.00 H new ATOM 0 HE1 TYR P 26 -4.512 14.270 -8.708 1.00 0.00 H new ATOM 0 HE2 TYR P 26 -8.024 16.341 -7.402 1.00 0.00 H new ATOM 0 HH TYR P 26 -7.481 16.373 -9.364 1.00 0.00 H new ATOM 431 N LEU P 27 -7.514 11.809 -1.553 1.00 0.00 N ATOM 432 CA LEU P 27 -7.618 11.554 -0.106 1.00 0.00 C ATOM 433 C LEU P 27 -7.195 12.713 0.808 1.00 0.00 C ATOM 434 O LEU P 27 -6.630 13.675 0.348 1.00 0.00 O ATOM 435 CB LEU P 27 -6.714 10.317 0.215 1.00 0.00 C ATOM 436 CG LEU P 27 -7.369 9.040 0.847 1.00 0.00 C ATOM 437 CD1 LEU P 27 -6.280 8.214 1.547 1.00 0.00 C ATOM 438 CD2 LEU P 27 -8.503 9.262 1.793 1.00 0.00 C ATOM 0 H LEU P 27 -8.416 11.614 -1.987 1.00 0.00 H new ATOM 0 HA LEU P 27 -8.676 11.396 0.103 1.00 0.00 H new ATOM 0 HB2 LEU P 27 -6.230 10.013 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU P 27 -5.927 10.651 0.890 1.00 0.00 H new ATOM 0 HG LEU P 27 -7.821 8.518 0.004 1.00 0.00 H new ATOM 0 HD11 LEU P 27 -6.727 7.324 1.990 1.00 0.00 H new ATOM 0 HD12 LEU P 27 -5.524 7.918 0.820 1.00 0.00 H new ATOM 0 HD13 LEU P 27 -5.815 8.814 2.329 1.00 0.00 H new ATOM 0 HD21 LEU P 27 -8.866 8.301 2.158 1.00 0.00 H new ATOM 0 HD22 LEU P 27 -8.162 9.865 2.635 1.00 0.00 H new ATOM 0 HD23 LEU P 27 -9.310 9.782 1.278 1.00 0.00 H new ATOM 450 N THR P 28 -7.584 12.614 2.058 1.00 0.00 N ATOM 451 CA THR P 28 -7.049 13.355 3.130 1.00 0.00 C ATOM 452 C THR P 28 -6.885 12.460 4.345 1.00 0.00 C ATOM 453 O THR P 28 -7.564 11.406 4.410 1.00 0.00 O ATOM 454 CB THR P 28 -7.972 14.514 3.484 1.00 0.00 C ATOM 455 OG1 THR P 28 -9.139 14.030 3.986 1.00 0.00 O ATOM 456 CG2 THR P 28 -8.422 15.437 2.352 1.00 0.00 C ATOM 0 H THR P 28 -8.323 11.974 2.349 1.00 0.00 H new ATOM 0 HA THR P 28 -6.078 13.748 2.829 1.00 0.00 H new ATOM 0 HB THR P 28 -7.353 15.095 4.168 1.00 0.00 H new ATOM 0 HG1 THR P 28 -9.888 14.560 3.642 1.00 0.00 H new ATOM 0 HG21 THR P 28 -9.073 16.214 2.753 1.00 0.00 H new ATOM 0 HG22 THR P 28 -7.549 15.898 1.890 1.00 0.00 H new ATOM 0 HG23 THR P 28 -8.965 14.858 1.605 1.00 0.00 H new ATOM 464 N ALA P 29 -6.114 12.826 5.326 1.00 0.00 N ATOM 465 CA ALA P 29 -6.196 12.169 6.658 1.00 0.00 C ATOM 466 C ALA P 29 -7.627 11.999 7.263 1.00 0.00 C ATOM 467 O ALA P 29 -8.003 10.966 7.868 1.00 0.00 O ATOM 468 CB ALA P 29 -5.211 12.947 7.621 1.00 0.00 C ATOM 0 H ALA P 29 -5.416 13.567 5.260 1.00 0.00 H new ATOM 0 HA ALA P 29 -5.896 11.129 6.531 1.00 0.00 H new ATOM 0 HB1 ALA P 29 -5.240 12.496 8.613 1.00 0.00 H new ATOM 0 HB2 ALA P 29 -4.196 12.891 7.226 1.00 0.00 H new ATOM 0 HB3 ALA P 29 -5.517 13.991 7.688 1.00 0.00 H new ATOM 474 N PRO P 30 -8.485 13.008 7.159 1.00 0.00 N ATOM 475 CA PRO P 30 -9.904 13.006 7.486 1.00 0.00 C ATOM 476 C PRO P 30 -10.669 11.929 6.774 1.00 0.00 C ATOM 477 O PRO P 30 -11.380 11.102 7.408 1.00 0.00 O ATOM 478 CB PRO P 30 -10.516 14.365 7.283 1.00 0.00 C ATOM 479 CG PRO P 30 -9.394 15.261 6.907 1.00 0.00 C ATOM 480 CD PRO P 30 -8.091 14.431 6.897 1.00 0.00 C ATOM 0 HA PRO P 30 -9.978 12.768 8.547 1.00 0.00 H new ATOM 0 HB2 PRO P 30 -11.275 14.339 6.501 1.00 0.00 H new ATOM 0 HB3 PRO P 30 -11.007 14.713 8.192 1.00 0.00 H new ATOM 0 HG2 PRO P 30 -9.572 15.700 5.925 1.00 0.00 H new ATOM 0 HG3 PRO P 30 -9.313 16.086 7.615 1.00 0.00 H new ATOM 0 HD2 PRO P 30 -7.582 14.521 5.937 1.00 0.00 H new ATOM 0 HD3 PRO P 30 -7.399 14.788 7.660 1.00 0.00 H new ATOM 488 N ARG P 31 -10.397 11.816 5.433 1.00 0.00 N ATOM 489 CA ARG P 31 -11.092 10.796 4.541 1.00 0.00 C ATOM 490 C ARG P 31 -10.573 9.393 4.862 1.00 0.00 C ATOM 491 O ARG P 31 -11.323 8.466 4.979 1.00 0.00 O ATOM 492 CB ARG P 31 -10.921 10.973 3.029 1.00 0.00 C ATOM 493 CG ARG P 31 -11.784 12.010 2.314 1.00 0.00 C ATOM 494 CD ARG P 31 -12.805 12.842 3.199 1.00 0.00 C ATOM 495 NE ARG P 31 -13.941 12.082 3.589 1.00 0.00 N ATOM 496 CZ ARG P 31 -15.153 12.561 3.928 1.00 0.00 C ATOM 497 NH1 ARG P 31 -15.385 13.830 3.806 1.00 0.00 N ATOM 498 NH2 ARG P 31 -16.077 11.749 4.320 1.00 0.00 N ATOM 0 H ARG P 31 -9.718 12.400 4.945 1.00 0.00 H new ATOM 0 HA ARG P 31 -12.148 10.949 4.764 1.00 0.00 H new ATOM 0 HB2 ARG P 31 -9.877 11.224 2.841 1.00 0.00 H new ATOM 0 HB3 ARG P 31 -11.106 10.007 2.559 1.00 0.00 H new ATOM 0 HG2 ARG P 31 -11.120 12.714 1.813 1.00 0.00 H new ATOM 0 HG3 ARG P 31 -12.351 11.499 1.536 1.00 0.00 H new ATOM 0 HD2 ARG P 31 -12.294 13.206 4.090 1.00 0.00 H new ATOM 0 HD3 ARG P 31 -13.134 13.718 2.640 1.00 0.00 H new ATOM 0 HE ARG P 31 -13.826 11.069 3.615 1.00 0.00 H new ATOM 0 HH11 ARG P 31 -14.655 14.451 3.457 1.00 0.00 H new ATOM 0 HH12 ARG P 31 -16.298 14.208 4.059 1.00 0.00 H new ATOM 0 HH21 ARG P 31 -15.888 10.748 4.372 1.00 0.00 H new ATOM 0 HH22 ARG P 31 -16.996 12.108 4.578 1.00 0.00 H new ATOM 512 N LEU P 32 -9.199 9.225 4.994 1.00 0.00 N ATOM 513 CA LEU P 32 -8.462 7.971 5.304 1.00 0.00 C ATOM 514 C LEU P 32 -9.099 7.344 6.576 1.00 0.00 C ATOM 515 O LEU P 32 -9.585 6.225 6.563 1.00 0.00 O ATOM 516 CB LEU P 32 -6.948 8.388 5.437 1.00 0.00 C ATOM 517 CG LEU P 32 -6.025 7.117 5.583 1.00 0.00 C ATOM 518 CD1 LEU P 32 -5.282 6.830 4.316 1.00 0.00 C ATOM 519 CD2 LEU P 32 -4.910 7.389 6.530 1.00 0.00 C ATOM 0 H LEU P 32 -8.563 10.014 4.877 1.00 0.00 H new ATOM 0 HA LEU P 32 -8.523 7.196 4.540 1.00 0.00 H new ATOM 0 HB2 LEU P 32 -6.647 8.963 4.561 1.00 0.00 H new ATOM 0 HB3 LEU P 32 -6.820 9.037 6.303 1.00 0.00 H new ATOM 0 HG LEU P 32 -6.693 6.312 5.889 1.00 0.00 H new ATOM 0 HD11 LEU P 32 -4.656 5.948 4.453 1.00 0.00 H new ATOM 0 HD12 LEU P 32 -5.993 6.649 3.510 1.00 0.00 H new ATOM 0 HD13 LEU P 32 -4.655 7.684 4.061 1.00 0.00 H new ATOM 0 HD21 LEU P 32 -4.283 6.502 6.619 1.00 0.00 H new ATOM 0 HD22 LEU P 32 -4.311 8.220 6.158 1.00 0.00 H new ATOM 0 HD23 LEU P 32 -5.318 7.645 7.508 1.00 0.00 H new ATOM 531 N ALA P 33 -9.245 8.138 7.707 1.00 0.00 N ATOM 532 CA ALA P 33 -9.823 7.622 8.922 1.00 0.00 C ATOM 533 C ALA P 33 -11.303 7.360 8.795 1.00 0.00 C ATOM 534 O ALA P 33 -11.782 6.364 9.346 1.00 0.00 O ATOM 535 CB ALA P 33 -9.476 8.656 10.040 1.00 0.00 C ATOM 0 H ALA P 33 -8.961 9.116 7.757 1.00 0.00 H new ATOM 0 HA ALA P 33 -9.409 6.644 9.167 1.00 0.00 H new ATOM 0 HB1 ALA P 33 -9.890 8.318 10.990 1.00 0.00 H new ATOM 0 HB2 ALA P 33 -8.393 8.747 10.128 1.00 0.00 H new ATOM 0 HB3 ALA P 33 -9.902 9.626 9.784 1.00 0.00 H new ATOM 541 N ASP P 34 -12.059 8.265 8.095 1.00 0.00 N ATOM 542 CA ASP P 34 -13.518 8.254 7.947 1.00 0.00 C ATOM 543 C ASP P 34 -13.990 7.069 7.071 1.00 0.00 C ATOM 544 O ASP P 34 -15.004 6.364 7.416 1.00 0.00 O ATOM 545 CB ASP P 34 -13.954 9.541 7.249 1.00 0.00 C ATOM 546 CG ASP P 34 -15.365 9.477 6.530 1.00 0.00 C ATOM 547 OD1 ASP P 34 -15.439 9.182 5.357 1.00 0.00 O ATOM 548 OD2 ASP P 34 -16.398 9.760 7.158 1.00 0.00 O ATOM 0 H ASP P 34 -11.630 9.049 7.604 1.00 0.00 H new ATOM 0 HA ASP P 34 -13.954 8.163 8.942 1.00 0.00 H new ATOM 0 HB2 ASP P 34 -13.976 10.345 7.985 1.00 0.00 H new ATOM 0 HB3 ASP P 34 -13.199 9.807 6.509 1.00 0.00 H new ATOM 553 N LEU P 35 -13.279 6.782 5.975 1.00 0.00 N ATOM 554 CA LEU P 35 -13.442 5.524 5.259 1.00 0.00 C ATOM 555 C LEU P 35 -13.004 4.344 6.114 1.00 0.00 C ATOM 556 O LEU P 35 -13.731 3.335 6.125 1.00 0.00 O ATOM 557 CB LEU P 35 -12.727 5.532 3.877 1.00 0.00 C ATOM 558 CG LEU P 35 -13.564 5.719 2.589 1.00 0.00 C ATOM 559 CD1 LEU P 35 -15.096 5.733 2.754 1.00 0.00 C ATOM 560 CD2 LEU P 35 -13.073 6.887 1.729 1.00 0.00 C ATOM 0 H LEU P 35 -12.585 7.409 5.568 1.00 0.00 H new ATOM 0 HA LEU P 35 -14.506 5.408 5.054 1.00 0.00 H new ATOM 0 HB2 LEU P 35 -11.980 6.326 3.900 1.00 0.00 H new ATOM 0 HB3 LEU P 35 -12.188 4.590 3.782 1.00 0.00 H new ATOM 0 HG LEU P 35 -13.375 4.791 2.050 1.00 0.00 H new ATOM 0 HD11 LEU P 35 -15.566 5.871 1.780 1.00 0.00 H new ATOM 0 HD12 LEU P 35 -15.424 4.787 3.185 1.00 0.00 H new ATOM 0 HD13 LEU P 35 -15.383 6.551 3.414 1.00 0.00 H new ATOM 0 HD21 LEU P 35 -13.697 6.971 0.839 1.00 0.00 H new ATOM 0 HD22 LEU P 35 -13.133 7.812 2.303 1.00 0.00 H new ATOM 0 HD23 LEU P 35 -12.039 6.711 1.432 1.00 0.00 H new ATOM 572 N SER P 36 -11.868 4.350 6.802 1.00 0.00 N ATOM 573 CA SER P 36 -11.396 3.164 7.598 1.00 0.00 C ATOM 574 C SER P 36 -12.408 2.702 8.562 1.00 0.00 C ATOM 575 O SER P 36 -12.761 1.474 8.567 1.00 0.00 O ATOM 576 CB SER P 36 -10.047 3.390 8.211 1.00 0.00 C ATOM 577 OG SER P 36 -10.229 4.202 9.361 1.00 0.00 O ATOM 0 H SER P 36 -11.238 5.152 6.841 1.00 0.00 H new ATOM 0 HA SER P 36 -11.263 2.342 6.895 1.00 0.00 H new ATOM 0 HB2 SER P 36 -9.586 2.440 8.482 1.00 0.00 H new ATOM 0 HB3 SER P 36 -9.380 3.877 7.500 1.00 0.00 H new ATOM 0 HG SER P 36 -10.845 4.934 9.150 1.00 0.00 H new ATOM 583 N ALA P 37 -13.078 3.587 9.243 1.00 0.00 N ATOM 584 CA ALA P 37 -14.111 3.240 10.226 1.00 0.00 C ATOM 585 C ALA P 37 -15.381 2.591 9.561 1.00 0.00 C ATOM 586 O ALA P 37 -15.833 1.523 9.981 1.00 0.00 O ATOM 587 CB ALA P 37 -14.554 4.446 11.000 1.00 0.00 C ATOM 0 H ALA P 37 -12.933 4.592 9.142 1.00 0.00 H new ATOM 0 HA ALA P 37 -13.649 2.512 10.894 1.00 0.00 H new ATOM 0 HB1 ALA P 37 -15.319 4.156 11.720 1.00 0.00 H new ATOM 0 HB2 ALA P 37 -13.702 4.872 11.529 1.00 0.00 H new ATOM 0 HB3 ALA P 37 -14.963 5.188 10.315 1.00 0.00 H new ATOM 593 N LYS P 38 -15.845 3.206 8.493 1.00 0.00 N ATOM 594 CA LYS P 38 -17.041 2.786 7.750 1.00 0.00 C ATOM 595 C LYS P 38 -16.909 1.672 6.704 1.00 0.00 C ATOM 596 O LYS P 38 -17.740 0.736 6.648 1.00 0.00 O ATOM 597 CB LYS P 38 -17.609 4.018 7.057 1.00 0.00 C ATOM 598 CG LYS P 38 -18.212 5.029 8.027 1.00 0.00 C ATOM 599 CD LYS P 38 -18.994 6.107 7.390 1.00 0.00 C ATOM 600 CE LYS P 38 -18.216 7.214 6.767 1.00 0.00 C ATOM 601 NZ LYS P 38 -17.499 6.856 5.578 1.00 0.00 N ATOM 0 H LYS P 38 -15.398 4.034 8.098 1.00 0.00 H new ATOM 0 HA LYS P 38 -17.679 2.341 8.514 1.00 0.00 H new ATOM 0 HB2 LYS P 38 -16.818 4.501 6.484 1.00 0.00 H new ATOM 0 HB3 LYS P 38 -18.374 3.706 6.345 1.00 0.00 H new ATOM 0 HG2 LYS P 38 -18.855 4.499 8.729 1.00 0.00 H new ATOM 0 HG3 LYS P 38 -17.407 5.478 8.609 1.00 0.00 H new ATOM 0 HD2 LYS P 38 -19.627 5.661 6.623 1.00 0.00 H new ATOM 0 HD3 LYS P 38 -19.657 6.537 8.141 1.00 0.00 H new ATOM 0 HE2 LYS P 38 -18.899 8.029 6.530 1.00 0.00 H new ATOM 0 HE3 LYS P 38 -17.506 7.596 7.500 1.00 0.00 H new ATOM 0 HZ1 LYS P 38 -16.871 7.638 5.303 1.00 0.00 H new ATOM 0 HZ2 LYS P 38 -16.931 6.003 5.758 1.00 0.00 H new ATOM 0 HZ3 LYS P 38 -18.174 6.667 4.810 1.00 0.00 H new ATOM 615 N LEU P 39 -15.838 1.618 5.894 1.00 0.00 N ATOM 616 CA LEU P 39 -15.548 0.402 5.091 1.00 0.00 C ATOM 617 C LEU P 39 -15.207 -0.757 6.000 1.00 0.00 C ATOM 618 O LEU P 39 -15.391 -1.849 5.527 1.00 0.00 O ATOM 619 CB LEU P 39 -14.246 0.545 4.259 1.00 0.00 C ATOM 620 CG LEU P 39 -14.388 1.641 3.239 1.00 0.00 C ATOM 621 CD1 LEU P 39 -12.963 2.150 3.198 1.00 0.00 C ATOM 622 CD2 LEU P 39 -14.839 1.020 1.987 1.00 0.00 C ATOM 0 H LEU P 39 -15.169 2.379 5.774 1.00 0.00 H new ATOM 0 HA LEU P 39 -16.434 0.255 4.474 1.00 0.00 H new ATOM 0 HB2 LEU P 39 -13.407 0.763 4.920 1.00 0.00 H new ATOM 0 HB3 LEU P 39 -14.022 -0.397 3.759 1.00 0.00 H new ATOM 0 HG LEU P 39 -15.102 2.440 3.436 1.00 0.00 H new ATOM 0 HD11 LEU P 39 -12.890 2.972 2.485 1.00 0.00 H new ATOM 0 HD12 LEU P 39 -12.674 2.502 4.188 1.00 0.00 H new ATOM 0 HD13 LEU P 39 -12.297 1.343 2.891 1.00 0.00 H new ATOM 0 HD21 LEU P 39 -14.954 1.787 1.221 1.00 0.00 H new ATOM 0 HD22 LEU P 39 -14.103 0.287 1.659 1.00 0.00 H new ATOM 0 HD23 LEU P 39 -15.796 0.525 2.151 1.00 0.00 H new ATOM 634 N ALA P 40 -14.816 -0.582 7.280 1.00 0.00 N ATOM 635 CA ALA P 40 -14.424 -1.618 8.222 1.00 0.00 C ATOM 636 C ALA P 40 -13.075 -2.239 7.840 1.00 0.00 C ATOM 637 O ALA P 40 -12.900 -3.439 7.659 1.00 0.00 O ATOM 638 CB ALA P 40 -15.552 -2.630 8.454 1.00 0.00 C ATOM 0 H ALA P 40 -14.767 0.348 7.696 1.00 0.00 H new ATOM 0 HA ALA P 40 -14.260 -1.157 9.196 1.00 0.00 H new ATOM 0 HB1 ALA P 40 -15.220 -3.388 9.164 1.00 0.00 H new ATOM 0 HB2 ALA P 40 -16.426 -2.116 8.854 1.00 0.00 H new ATOM 0 HB3 ALA P 40 -15.813 -3.107 7.509 1.00 0.00 H new ATOM 644 N LEU P 41 -12.144 -1.322 7.534 1.00 0.00 N ATOM 645 CA LEU P 41 -10.814 -1.507 6.947 1.00 0.00 C ATOM 646 C LEU P 41 -9.729 -0.839 7.827 1.00 0.00 C ATOM 647 O LEU P 41 -9.974 -0.161 8.839 1.00 0.00 O ATOM 648 CB LEU P 41 -10.671 -1.122 5.532 1.00 0.00 C ATOM 649 CG LEU P 41 -11.459 -2.000 4.569 1.00 0.00 C ATOM 650 CD1 LEU P 41 -11.343 -1.508 3.121 1.00 0.00 C ATOM 651 CD2 LEU P 41 -11.057 -3.432 4.638 1.00 0.00 C ATOM 0 H LEU P 41 -12.326 -0.334 7.711 1.00 0.00 H new ATOM 0 HA LEU P 41 -10.669 -2.587 6.936 1.00 0.00 H new ATOM 0 HB2 LEU P 41 -10.995 -0.088 5.413 1.00 0.00 H new ATOM 0 HB3 LEU P 41 -9.616 -1.159 5.261 1.00 0.00 H new ATOM 0 HG LEU P 41 -12.498 -1.922 4.889 1.00 0.00 H new ATOM 0 HD11 LEU P 41 -11.920 -2.162 2.467 1.00 0.00 H new ATOM 0 HD12 LEU P 41 -11.730 -0.491 3.050 1.00 0.00 H new ATOM 0 HD13 LEU P 41 -10.297 -1.520 2.815 1.00 0.00 H new ATOM 0 HD21 LEU P 41 -11.651 -4.011 3.931 1.00 0.00 H new ATOM 0 HD22 LEU P 41 -10.000 -3.526 4.387 1.00 0.00 H new ATOM 0 HD23 LEU P 41 -11.225 -3.809 5.647 1.00 0.00 H new ATOM 663 N GLY P 42 -8.483 -1.139 7.457 1.00 0.00 N ATOM 664 CA GLY P 42 -7.353 -0.378 7.963 1.00 0.00 C ATOM 665 C GLY P 42 -7.093 0.892 7.202 1.00 0.00 C ATOM 666 O GLY P 42 -7.467 0.979 6.033 1.00 0.00 O ATOM 0 H GLY P 42 -8.238 -1.894 6.817 1.00 0.00 H new ATOM 0 HA2 GLY P 42 -7.530 -0.134 9.011 1.00 0.00 H new ATOM 0 HA3 GLY P 42 -6.460 -1.002 7.927 1.00 0.00 H new ATOM 670 N THR P 43 -6.520 1.904 7.861 1.00 0.00 N ATOM 671 CA THR P 43 -6.276 3.201 7.281 1.00 0.00 C ATOM 672 C THR P 43 -5.437 3.217 6.026 1.00 0.00 C ATOM 673 O THR P 43 -5.702 3.998 5.082 1.00 0.00 O ATOM 674 CB THR P 43 -5.651 4.125 8.308 1.00 0.00 C ATOM 675 OG1 THR P 43 -4.611 3.512 9.118 1.00 0.00 O ATOM 676 CG2 THR P 43 -6.677 4.627 9.337 1.00 0.00 C ATOM 0 H THR P 43 -6.212 1.829 8.830 1.00 0.00 H new ATOM 0 HA THR P 43 -7.263 3.547 6.974 1.00 0.00 H new ATOM 0 HB THR P 43 -5.239 4.921 7.687 1.00 0.00 H new ATOM 0 HG1 THR P 43 -4.259 4.171 9.752 1.00 0.00 H new ATOM 0 HG21 THR P 43 -6.183 5.285 10.052 1.00 0.00 H new ATOM 0 HG22 THR P 43 -7.468 5.175 8.825 1.00 0.00 H new ATOM 0 HG23 THR P 43 -7.109 3.777 9.865 1.00 0.00 H new ATOM 684 N ALA P 44 -4.432 2.385 5.981 1.00 0.00 N ATOM 685 CA ALA P 44 -3.546 2.166 4.823 1.00 0.00 C ATOM 686 C ALA P 44 -4.260 1.605 3.548 1.00 0.00 C ATOM 687 O ALA P 44 -4.029 2.153 2.446 1.00 0.00 O ATOM 688 CB ALA P 44 -2.493 1.189 5.200 1.00 0.00 C ATOM 0 H ALA P 44 -4.179 1.803 6.780 1.00 0.00 H new ATOM 0 HA ALA P 44 -3.152 3.150 4.568 1.00 0.00 H new ATOM 0 HB1 ALA P 44 -1.832 1.020 4.350 1.00 0.00 H new ATOM 0 HB2 ALA P 44 -1.915 1.582 6.036 1.00 0.00 H new ATOM 0 HB3 ALA P 44 -2.958 0.247 5.491 1.00 0.00 H new ATOM 694 N GLN P 45 -5.317 0.803 3.726 1.00 0.00 N ATOM 695 CA GLN P 45 -6.178 0.360 2.582 1.00 0.00 C ATOM 696 C GLN P 45 -6.857 1.481 1.885 1.00 0.00 C ATOM 697 O GLN P 45 -7.118 1.380 0.658 1.00 0.00 O ATOM 698 CB GLN P 45 -7.236 -0.743 3.041 1.00 0.00 C ATOM 699 CG GLN P 45 -6.711 -2.145 3.375 1.00 0.00 C ATOM 700 CD GLN P 45 -5.889 -2.234 4.648 1.00 0.00 C ATOM 701 OE1 GLN P 45 -4.758 -1.793 4.730 1.00 0.00 O ATOM 702 NE2 GLN P 45 -6.309 -2.959 5.675 1.00 0.00 N ATOM 0 H GLN P 45 -5.608 0.442 4.634 1.00 0.00 H new ATOM 0 HA GLN P 45 -5.498 -0.088 1.858 1.00 0.00 H new ATOM 0 HB2 GLN P 45 -7.756 -0.362 3.920 1.00 0.00 H new ATOM 0 HB3 GLN P 45 -7.979 -0.844 2.250 1.00 0.00 H new ATOM 0 HG2 GLN P 45 -7.559 -2.824 3.460 1.00 0.00 H new ATOM 0 HG3 GLN P 45 -6.103 -2.497 2.542 1.00 0.00 H new ATOM 0 HE21 GLN P 45 -7.248 -3.357 5.668 1.00 0.00 H new ATOM 0 HE22 GLN P 45 -5.693 -3.118 6.472 1.00 0.00 H new ATOM 711 N VAL P 46 -7.190 2.527 2.540 1.00 0.00 N ATOM 712 CA VAL P 46 -7.886 3.707 1.922 1.00 0.00 C ATOM 713 C VAL P 46 -6.845 4.458 0.990 1.00 0.00 C ATOM 714 O VAL P 46 -7.044 4.605 -0.223 1.00 0.00 O ATOM 715 CB VAL P 46 -8.448 4.642 2.953 1.00 0.00 C ATOM 716 CG1 VAL P 46 -9.432 5.595 2.228 1.00 0.00 C ATOM 717 CG2 VAL P 46 -9.176 3.964 4.083 1.00 0.00 C ATOM 0 H VAL P 46 -7.007 2.639 3.537 1.00 0.00 H new ATOM 0 HA VAL P 46 -8.736 3.352 1.339 1.00 0.00 H new ATOM 0 HB VAL P 46 -7.606 5.161 3.410 1.00 0.00 H new ATOM 0 HG11 VAL P 46 -9.862 6.291 2.948 1.00 0.00 H new ATOM 0 HG12 VAL P 46 -8.898 6.152 1.458 1.00 0.00 H new ATOM 0 HG13 VAL P 46 -10.229 5.012 1.767 1.00 0.00 H new ATOM 0 HG21 VAL P 46 -9.548 4.716 4.779 1.00 0.00 H new ATOM 0 HG22 VAL P 46 -10.014 3.392 3.685 1.00 0.00 H new ATOM 0 HG23 VAL P 46 -8.494 3.292 4.604 1.00 0.00 H new ATOM 727 N LYS P 47 -5.650 4.826 1.531 1.00 0.00 N ATOM 728 CA LYS P 47 -4.589 5.425 0.683 1.00 0.00 C ATOM 729 C LYS P 47 -4.167 4.512 -0.507 1.00 0.00 C ATOM 730 O LYS P 47 -4.016 5.052 -1.563 1.00 0.00 O ATOM 731 CB LYS P 47 -3.369 5.489 1.598 1.00 0.00 C ATOM 732 CG LYS P 47 -2.935 6.917 1.990 1.00 0.00 C ATOM 733 CD LYS P 47 -2.166 7.059 3.352 1.00 0.00 C ATOM 734 CE LYS P 47 -1.845 5.754 4.172 1.00 0.00 C ATOM 735 NZ LYS P 47 -0.709 5.961 5.075 1.00 0.00 N ATOM 0 H LYS P 47 -5.405 4.722 2.516 1.00 0.00 H new ATOM 0 HA LYS P 47 -4.944 6.372 0.276 1.00 0.00 H new ATOM 0 HB2 LYS P 47 -3.583 4.926 2.507 1.00 0.00 H new ATOM 0 HB3 LYS P 47 -2.534 4.992 1.104 1.00 0.00 H new ATOM 0 HG2 LYS P 47 -2.301 7.313 1.196 1.00 0.00 H new ATOM 0 HG3 LYS P 47 -3.824 7.546 2.031 1.00 0.00 H new ATOM 0 HD2 LYS P 47 -1.221 7.564 3.149 1.00 0.00 H new ATOM 0 HD3 LYS P 47 -2.748 7.720 3.994 1.00 0.00 H new ATOM 0 HE2 LYS P 47 -2.722 5.459 4.748 1.00 0.00 H new ATOM 0 HE3 LYS P 47 -1.624 4.936 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS P 47 -0.520 5.085 5.602 1.00 0.00 H new ATOM 0 HZ2 LYS P 47 0.132 6.220 4.521 1.00 0.00 H new ATOM 0 HZ3 LYS P 47 -0.932 6.726 5.743 1.00 0.00 H new ATOM 749 N ILE P 48 -4.035 3.168 -0.286 1.00 0.00 N ATOM 750 CA ILE P 48 -3.638 2.254 -1.307 1.00 0.00 C ATOM 751 C ILE P 48 -4.707 1.967 -2.277 1.00 0.00 C ATOM 752 O ILE P 48 -4.292 1.651 -3.394 1.00 0.00 O ATOM 753 CB ILE P 48 -3.008 0.993 -0.607 1.00 0.00 C ATOM 754 CG1 ILE P 48 -1.543 1.476 -0.111 1.00 0.00 C ATOM 755 CG2 ILE P 48 -2.744 -0.233 -1.541 1.00 0.00 C ATOM 756 CD1 ILE P 48 -1.016 0.665 1.116 1.00 0.00 C ATOM 0 H ILE P 48 -4.210 2.728 0.617 1.00 0.00 H new ATOM 0 HA ILE P 48 -2.874 2.704 -1.941 1.00 0.00 H new ATOM 0 HB ILE P 48 -3.709 0.664 0.160 1.00 0.00 H new ATOM 0 HG12 ILE P 48 -0.836 1.378 -0.935 1.00 0.00 H new ATOM 0 HG13 ILE P 48 -1.584 2.533 0.150 1.00 0.00 H new ATOM 0 HG21 ILE P 48 -2.310 -1.046 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE P 48 -3.684 -0.564 -1.982 1.00 0.00 H new ATOM 0 HG23 ILE P 48 -2.054 0.055 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE P 48 -0.031 1.035 1.401 1.00 0.00 H new ATOM 0 HD12 ILE P 48 -1.704 0.783 1.953 1.00 0.00 H new ATOM 0 HD13 ILE P 48 -0.944 -0.390 0.851 1.00 0.00 H new ATOM 768 N TRP P 49 -6.007 2.071 -1.892 1.00 0.00 N ATOM 769 CA TRP P 49 -7.136 2.007 -2.865 1.00 0.00 C ATOM 770 C TRP P 49 -7.151 3.214 -3.840 1.00 0.00 C ATOM 771 O TRP P 49 -7.086 3.033 -5.052 1.00 0.00 O ATOM 772 CB TRP P 49 -8.515 2.080 -2.232 1.00 0.00 C ATOM 773 CG TRP P 49 -9.666 2.188 -3.090 1.00 0.00 C ATOM 774 CD1 TRP P 49 -9.969 1.175 -4.004 1.00 0.00 C ATOM 775 CD2 TRP P 49 -10.523 3.265 -3.502 1.00 0.00 C ATOM 776 NE1 TRP P 49 -11.084 1.478 -4.709 1.00 0.00 N ATOM 777 CE2 TRP P 49 -11.463 2.763 -4.487 1.00 0.00 C ATOM 778 CE3 TRP P 49 -10.679 4.566 -3.034 1.00 0.00 C ATOM 779 CZ2 TRP P 49 -12.485 3.560 -4.939 1.00 0.00 C ATOM 780 CZ3 TRP P 49 -11.612 5.411 -3.655 1.00 0.00 C ATOM 781 CH2 TRP P 49 -12.542 4.901 -4.596 1.00 0.00 C ATOM 0 H TRP P 49 -6.300 2.199 -0.923 1.00 0.00 H new ATOM 0 HA TRP P 49 -6.959 1.048 -3.351 1.00 0.00 H new ATOM 0 HB2 TRP P 49 -8.644 1.189 -1.617 1.00 0.00 H new ATOM 0 HB3 TRP P 49 -8.524 2.937 -1.558 1.00 0.00 H new ATOM 0 HD1 TRP P 49 -9.391 0.272 -4.131 1.00 0.00 H new ATOM 0 HE1 TRP P 49 -11.574 0.828 -5.324 1.00 0.00 H new ATOM 0 HE3 TRP P 49 -10.089 4.922 -2.202 1.00 0.00 H new ATOM 0 HZ2 TRP P 49 -13.253 3.137 -5.569 1.00 0.00 H new ATOM 0 HZ3 TRP P 49 -11.622 6.463 -3.413 1.00 0.00 H new ATOM 0 HH2 TRP P 49 -13.284 5.549 -5.039 1.00 0.00 H new ATOM 792 N PHE P 50 -6.893 4.378 -3.279 1.00 0.00 N ATOM 793 CA PHE P 50 -6.823 5.618 -4.027 1.00 0.00 C ATOM 794 C PHE P 50 -5.631 5.613 -5.003 1.00 0.00 C ATOM 795 O PHE P 50 -5.786 6.037 -6.180 1.00 0.00 O ATOM 796 CB PHE P 50 -6.778 6.812 -3.133 1.00 0.00 C ATOM 797 CG PHE P 50 -8.042 7.439 -2.682 1.00 0.00 C ATOM 798 CD1 PHE P 50 -8.440 8.647 -3.266 1.00 0.00 C ATOM 799 CD2 PHE P 50 -8.883 6.892 -1.709 1.00 0.00 C ATOM 800 CE1 PHE P 50 -9.569 9.272 -2.819 1.00 0.00 C ATOM 801 CE2 PHE P 50 -10.124 7.429 -1.288 1.00 0.00 C ATOM 802 CZ PHE P 50 -10.392 8.683 -1.862 1.00 0.00 C ATOM 0 H PHE P 50 -6.724 4.491 -2.279 1.00 0.00 H new ATOM 0 HA PHE P 50 -7.740 5.689 -4.612 1.00 0.00 H new ATOM 0 HB2 PHE P 50 -6.218 6.530 -2.241 1.00 0.00 H new ATOM 0 HB3 PHE P 50 -6.198 7.580 -3.644 1.00 0.00 H new ATOM 0 HD1 PHE P 50 -7.858 9.082 -4.065 1.00 0.00 H new ATOM 0 HD2 PHE P 50 -8.557 5.978 -1.236 1.00 0.00 H new ATOM 0 HE1 PHE P 50 -9.829 10.242 -3.215 1.00 0.00 H new ATOM 0 HE2 PHE P 50 -10.791 6.929 -0.601 1.00 0.00 H new ATOM 0 HZ PHE P 50 -11.277 9.215 -1.547 1.00 0.00 H new ATOM 812 N LYS P 51 -4.488 5.169 -4.563 1.00 0.00 N ATOM 813 CA LYS P 51 -3.325 4.958 -5.466 1.00 0.00 C ATOM 814 C LYS P 51 -3.518 4.001 -6.608 1.00 0.00 C ATOM 815 O LYS P 51 -3.272 4.328 -7.828 1.00 0.00 O ATOM 816 CB LYS P 51 -2.041 4.541 -4.704 1.00 0.00 C ATOM 817 CG LYS P 51 -1.567 5.533 -3.720 1.00 0.00 C ATOM 818 CD LYS P 51 -0.082 5.444 -3.573 1.00 0.00 C ATOM 819 CE LYS P 51 0.667 4.133 -3.252 1.00 0.00 C ATOM 820 NZ LYS P 51 2.119 4.378 -3.020 1.00 0.00 N ATOM 0 H LYS P 51 -4.308 4.937 -3.586 1.00 0.00 H new ATOM 0 HA LYS P 51 -3.218 5.950 -5.905 1.00 0.00 H new ATOM 0 HB2 LYS P 51 -2.228 3.598 -4.190 1.00 0.00 H new ATOM 0 HB3 LYS P 51 -1.247 4.357 -5.428 1.00 0.00 H new ATOM 0 HG2 LYS P 51 -1.849 6.536 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS P 51 -2.046 5.359 -2.757 1.00 0.00 H new ATOM 0 HD2 LYS P 51 0.341 5.818 -4.505 1.00 0.00 H new ATOM 0 HD3 LYS P 51 0.192 6.153 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS P 51 0.229 3.669 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS P 51 0.542 3.430 -4.076 1.00 0.00 H new ATOM 0 HZ1 LYS P 51 2.593 3.477 -2.807 1.00 0.00 H new ATOM 0 HZ2 LYS P 51 2.541 4.798 -3.873 1.00 0.00 H new ATOM 0 HZ3 LYS P 51 2.237 5.030 -2.218 1.00 0.00 H new