USER MOD reduce.3.24.130724 H: found=0, std=0, add=344, rem=0, adj=7 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 Single : P 10 THR OG1 : rot 180:sc= 0 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= -5.01! K(o=-5!,f=-0.51) USER MOD Single : P 19 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.0068) USER MOD Single : P 20 HIS : no HD1:sc= -0.462 X(o=-0.46,f=-0.12) USER MOD Single : P 23 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : P 26 TYR OH : rot 180:sc= 0 USER MOD Single : P 28 THR OG1 : rot -170:sc= -0.266 USER MOD Single : P 36 SER OG : rot 67:sc= 0.903 USER MOD Single : P 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 43 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : P 45 GLN : amide:sc= 0.599 K(o=0.6,f=-8.6!) 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 -14.785 -5.184 -2.282 1.00 0.00 N ATOM 159 CA THR P 10 -16.114 -5.483 -2.907 1.00 0.00 C ATOM 160 C THR P 10 -16.681 -4.189 -3.540 1.00 0.00 C ATOM 161 O THR P 10 -16.177 -3.063 -3.456 1.00 0.00 O ATOM 162 CB THR P 10 -17.159 -6.057 -1.902 1.00 0.00 C ATOM 163 OG1 THR P 10 -17.800 -4.970 -1.239 1.00 0.00 O ATOM 164 CG2 THR P 10 -16.576 -7.001 -0.855 1.00 0.00 C ATOM 0 HA THR P 10 -15.941 -6.252 -3.660 1.00 0.00 H new ATOM 0 HB THR P 10 -17.858 -6.651 -2.490 1.00 0.00 H new ATOM 0 HG1 THR P 10 -18.461 -5.318 -0.605 1.00 0.00 H new ATOM 0 HG21 THR P 10 -17.372 -7.352 -0.199 1.00 0.00 H new ATOM 0 HG22 THR P 10 -16.112 -7.853 -1.352 1.00 0.00 H new ATOM 0 HG23 THR P 10 -15.827 -6.473 -0.266 1.00 0.00 H new ATOM 172 N SER P 11 -17.723 -4.377 -4.348 1.00 0.00 N ATOM 173 CA SER P 11 -18.429 -3.390 -5.145 1.00 0.00 C ATOM 174 C SER P 11 -19.050 -2.284 -4.274 1.00 0.00 C ATOM 175 O SER P 11 -18.773 -1.139 -4.479 1.00 0.00 O ATOM 176 CB SER P 11 -19.513 -4.042 -5.986 1.00 0.00 C ATOM 177 OG SER P 11 -20.315 -3.265 -6.915 1.00 0.00 O ATOM 0 H SER P 11 -18.125 -5.307 -4.468 1.00 0.00 H new ATOM 0 HA SER P 11 -17.690 -2.933 -5.803 1.00 0.00 H new ATOM 0 HB2 SER P 11 -19.035 -4.833 -6.563 1.00 0.00 H new ATOM 0 HB3 SER P 11 -20.204 -4.525 -5.295 1.00 0.00 H new ATOM 0 HG SER P 11 -20.956 -3.854 -7.365 1.00 0.00 H new ATOM 183 N SER P 12 -19.712 -2.603 -3.133 1.00 0.00 N ATOM 184 CA SER P 12 -20.222 -1.650 -2.114 1.00 0.00 C ATOM 185 C SER P 12 -19.144 -0.743 -1.580 1.00 0.00 C ATOM 186 O SER P 12 -19.479 0.397 -1.175 1.00 0.00 O ATOM 187 CB SER P 12 -20.810 -2.318 -0.824 1.00 0.00 C ATOM 188 OG SER P 12 -21.973 -3.002 -1.359 1.00 0.00 O ATOM 0 H SER P 12 -19.914 -3.572 -2.887 1.00 0.00 H new ATOM 0 HA SER P 12 -20.996 -1.122 -2.671 1.00 0.00 H new ATOM 0 HB2 SER P 12 -20.105 -3.008 -0.361 1.00 0.00 H new ATOM 0 HB3 SER P 12 -21.079 -1.582 -0.067 1.00 0.00 H new ATOM 0 HG SER P 12 -22.438 -3.471 -0.635 1.00 0.00 H new ATOM 194 N GLN P 13 -17.918 -1.278 -1.417 1.00 0.00 N ATOM 195 CA GLN P 13 -16.869 -0.506 -0.792 1.00 0.00 C ATOM 196 C GLN P 13 -16.366 0.470 -1.783 1.00 0.00 C ATOM 197 O GLN P 13 -16.473 1.673 -1.566 1.00 0.00 O ATOM 198 CB GLN P 13 -15.785 -1.438 -0.245 1.00 0.00 C ATOM 199 CG GLN P 13 -16.393 -2.262 0.851 1.00 0.00 C ATOM 200 CD GLN P 13 -15.340 -3.001 1.613 1.00 0.00 C ATOM 201 OE1 GLN P 13 -14.647 -3.820 0.999 1.00 0.00 O ATOM 202 NE2 GLN P 13 -15.062 -2.763 2.874 1.00 0.00 N ATOM 0 H GLN P 13 -17.651 -2.219 -1.707 1.00 0.00 H new ATOM 0 HA GLN P 13 -17.241 0.052 0.068 1.00 0.00 H new ATOM 0 HB2 GLN P 13 -15.400 -2.081 -1.037 1.00 0.00 H new ATOM 0 HB3 GLN P 13 -14.942 -0.861 0.135 1.00 0.00 H new ATOM 0 HG2 GLN P 13 -16.952 -1.617 1.529 1.00 0.00 H new ATOM 0 HG3 GLN P 13 -17.104 -2.970 0.426 1.00 0.00 H new ATOM 0 HE21 GLN P 13 -15.620 -2.091 3.401 1.00 0.00 H new ATOM 0 HE22 GLN P 13 -14.288 -3.250 3.326 1.00 0.00 H new ATOM 211 N ILE P 14 -15.924 0.043 -2.970 1.00 0.00 N ATOM 212 CA ILE P 14 -15.434 0.966 -4.015 1.00 0.00 C ATOM 213 C ILE P 14 -16.497 2.033 -4.330 1.00 0.00 C ATOM 214 O ILE P 14 -16.216 3.241 -4.346 1.00 0.00 O ATOM 215 CB ILE P 14 -14.931 0.194 -5.264 1.00 0.00 C ATOM 216 CG1 ILE P 14 -13.864 -0.880 -4.911 1.00 0.00 C ATOM 217 CG2 ILE P 14 -14.395 1.213 -6.237 1.00 0.00 C ATOM 218 CD1 ILE P 14 -13.514 -1.894 -6.037 1.00 0.00 C ATOM 0 H ILE P 14 -15.893 -0.941 -3.238 1.00 0.00 H new ATOM 0 HA ILE P 14 -14.562 1.501 -3.638 1.00 0.00 H new ATOM 0 HB ILE P 14 -15.757 -0.361 -5.709 1.00 0.00 H new ATOM 0 HG12 ILE P 14 -12.949 -0.369 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE P 14 -14.214 -1.439 -4.043 1.00 0.00 H new ATOM 0 HG21 ILE P 14 -14.031 0.706 -7.131 1.00 0.00 H new ATOM 0 HG22 ILE P 14 -15.189 1.907 -6.511 1.00 0.00 H new ATOM 0 HG23 ILE P 14 -13.576 1.764 -5.773 1.00 0.00 H new ATOM 0 HD11 ILE P 14 -12.760 -2.593 -5.675 1.00 0.00 H new ATOM 0 HD12 ILE P 14 -14.411 -2.443 -6.323 1.00 0.00 H new ATOM 0 HD13 ILE P 14 -13.126 -1.357 -6.902 1.00 0.00 H new ATOM 230 N ALA P 15 -17.775 1.735 -4.133 1.00 0.00 N ATOM 231 CA ALA P 15 -18.918 2.679 -4.296 1.00 0.00 C ATOM 232 C ALA P 15 -18.898 3.858 -3.266 1.00 0.00 C ATOM 233 O ALA P 15 -18.868 4.988 -3.680 1.00 0.00 O ATOM 234 CB ALA P 15 -20.147 1.786 -4.266 1.00 0.00 C ATOM 0 H ALA P 15 -18.074 0.803 -3.845 1.00 0.00 H new ATOM 0 HA ALA P 15 -18.883 3.236 -5.233 1.00 0.00 H new ATOM 0 HB1 ALA P 15 -21.043 2.396 -4.380 1.00 0.00 H new ATOM 0 HB2 ALA P 15 -20.093 1.065 -5.082 1.00 0.00 H new ATOM 0 HB3 ALA P 15 -20.188 1.255 -3.315 1.00 0.00 H new ATOM 240 N GLU P 16 -18.796 3.538 -1.953 1.00 0.00 N ATOM 241 CA GLU P 16 -18.659 4.585 -0.943 1.00 0.00 C ATOM 242 C GLU P 16 -17.376 5.384 -1.170 1.00 0.00 C ATOM 243 O GLU P 16 -17.470 6.578 -1.119 1.00 0.00 O ATOM 244 CB GLU P 16 -18.448 3.918 0.379 1.00 0.00 C ATOM 245 CG GLU P 16 -19.512 3.357 1.349 1.00 0.00 C ATOM 246 CD GLU P 16 -20.753 4.197 1.730 1.00 0.00 C ATOM 247 OE1 GLU P 16 -21.322 3.841 2.780 1.00 0.00 O ATOM 248 OE2 GLU P 16 -21.257 5.005 0.917 1.00 0.00 O ATOM 0 H GLU P 16 -18.807 2.586 -1.587 1.00 0.00 H new ATOM 0 HA GLU P 16 -19.542 5.222 -0.987 1.00 0.00 H new ATOM 0 HB2 GLU P 16 -17.786 3.078 0.169 1.00 0.00 H new ATOM 0 HB3 GLU P 16 -17.877 4.635 0.969 1.00 0.00 H new ATOM 0 HG2 GLU P 16 -19.876 2.423 0.921 1.00 0.00 H new ATOM 0 HG3 GLU P 16 -18.999 3.104 2.277 1.00 0.00 H new ATOM 255 N LEU P 17 -16.276 4.667 -1.458 1.00 0.00 N ATOM 256 CA LEU P 17 -14.951 5.215 -1.533 1.00 0.00 C ATOM 257 C LEU P 17 -14.928 6.313 -2.643 1.00 0.00 C ATOM 258 O LEU P 17 -14.508 7.456 -2.377 1.00 0.00 O ATOM 259 CB LEU P 17 -13.957 4.054 -1.831 1.00 0.00 C ATOM 260 CG LEU P 17 -13.490 3.275 -0.558 1.00 0.00 C ATOM 261 CD1 LEU P 17 -12.668 1.963 -0.687 1.00 0.00 C ATOM 262 CD2 LEU P 17 -12.501 4.191 0.126 1.00 0.00 C ATOM 0 H LEU P 17 -16.307 3.665 -1.647 1.00 0.00 H new ATOM 0 HA LEU P 17 -14.653 5.683 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU P 17 -14.428 3.354 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU P 17 -13.081 4.460 -2.338 1.00 0.00 H new ATOM 0 HG LEU P 17 -14.432 2.999 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU P 17 -12.442 1.576 0.307 1.00 0.00 H new ATOM 0 HD12 LEU P 17 -13.247 1.224 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU P 17 -11.738 2.167 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU P 17 -12.127 3.712 1.031 1.00 0.00 H new ATOM 0 HD22 LEU P 17 -11.668 4.395 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU P 17 -12.993 5.128 0.388 1.00 0.00 H new ATOM 274 N GLU P 18 -15.383 6.007 -3.889 1.00 0.00 N ATOM 275 CA GLU P 18 -15.735 6.989 -4.946 1.00 0.00 C ATOM 276 C GLU P 18 -16.740 8.110 -4.522 1.00 0.00 C ATOM 277 O GLU P 18 -16.437 9.260 -4.836 1.00 0.00 O ATOM 278 CB GLU P 18 -16.373 6.163 -6.112 1.00 0.00 C ATOM 279 CG GLU P 18 -15.464 5.190 -6.889 1.00 0.00 C ATOM 280 CD GLU P 18 -14.420 5.872 -7.773 1.00 0.00 C ATOM 281 OE1 GLU P 18 -14.311 7.122 -7.787 1.00 0.00 O ATOM 282 OE2 GLU P 18 -13.781 5.127 -8.520 1.00 0.00 O ATOM 0 H GLU P 18 -15.518 5.042 -4.192 1.00 0.00 H new ATOM 0 HA GLU P 18 -14.821 7.520 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU P 18 -17.203 5.588 -5.700 1.00 0.00 H new ATOM 0 HB3 GLU P 18 -16.797 6.867 -6.827 1.00 0.00 H new ATOM 0 HG2 GLU P 18 -14.952 4.543 -6.177 1.00 0.00 H new ATOM 0 HG3 GLU P 18 -16.087 4.549 -7.512 1.00 0.00 H new ATOM 289 N GLN P 19 -17.818 7.760 -3.748 1.00 0.00 N ATOM 290 CA GLN P 19 -18.801 8.744 -3.368 1.00 0.00 C ATOM 291 C GLN P 19 -18.271 9.857 -2.493 1.00 0.00 C ATOM 292 O GLN P 19 -18.722 10.990 -2.574 1.00 0.00 O ATOM 293 CB GLN P 19 -20.002 8.087 -2.805 1.00 0.00 C ATOM 294 CG GLN P 19 -21.320 8.845 -2.491 1.00 0.00 C ATOM 295 CD GLN P 19 -21.867 9.616 -3.789 1.00 0.00 C ATOM 296 OE1 GLN P 19 -21.927 9.087 -4.908 1.00 0.00 O ATOM 297 NE2 GLN P 19 -22.178 10.921 -3.659 1.00 0.00 N ATOM 0 H GLN P 19 -17.996 6.818 -3.399 1.00 0.00 H new ATOM 0 HA GLN P 19 -19.092 9.258 -4.284 1.00 0.00 H new ATOM 0 HB2 GLN P 19 -20.265 7.284 -3.494 1.00 0.00 H new ATOM 0 HB3 GLN P 19 -19.688 7.617 -1.873 1.00 0.00 H new ATOM 0 HG2 GLN P 19 -22.073 8.140 -2.138 1.00 0.00 H new ATOM 0 HG3 GLN P 19 -21.149 9.559 -1.685 1.00 0.00 H new ATOM 0 HE21 GLN P 19 -22.132 11.367 -2.743 1.00 0.00 H new ATOM 0 HE22 GLN P 19 -22.459 11.462 -4.477 1.00 0.00 H new ATOM 306 N HIS P 20 -17.549 9.510 -1.508 1.00 0.00 N ATOM 307 CA HIS P 20 -16.857 10.436 -0.654 1.00 0.00 C ATOM 308 C HIS P 20 -15.534 11.076 -1.210 1.00 0.00 C ATOM 309 O HIS P 20 -15.239 12.247 -0.884 1.00 0.00 O ATOM 310 CB HIS P 20 -16.643 9.758 0.686 1.00 0.00 C ATOM 311 CG HIS P 20 -17.983 9.391 1.323 1.00 0.00 C ATOM 312 ND1 HIS P 20 -18.973 10.259 1.740 1.00 0.00 N ATOM 313 CD2 HIS P 20 -18.545 8.123 1.471 1.00 0.00 C ATOM 314 CE1 HIS P 20 -20.024 9.580 2.326 1.00 0.00 C ATOM 315 NE2 HIS P 20 -19.764 8.286 2.191 1.00 0.00 N ATOM 0 H HIS P 20 -17.405 8.535 -1.246 1.00 0.00 H new ATOM 0 HA HIS P 20 -17.500 11.312 -0.571 1.00 0.00 H new ATOM 0 HB2 HIS P 20 -16.039 8.860 0.553 1.00 0.00 H new ATOM 0 HB3 HIS P 20 -16.088 10.420 1.350 1.00 0.00 H new ATOM 0 HD2 HIS P 20 -18.134 7.193 1.108 1.00 0.00 H new ATOM 0 HE1 HIS P 20 -20.889 10.018 2.802 1.00 0.00 H new ATOM 0 HE2 HIS P 20 -20.345 7.527 2.547 1.00 0.00 H new ATOM 323 N PHE P 21 -14.801 10.337 -2.053 1.00 0.00 N ATOM 324 CA PHE P 21 -13.705 10.910 -2.926 1.00 0.00 C ATOM 325 C PHE P 21 -14.329 12.177 -3.714 1.00 0.00 C ATOM 326 O PHE P 21 -13.638 13.124 -3.937 1.00 0.00 O ATOM 327 CB PHE P 21 -13.103 9.924 -3.945 1.00 0.00 C ATOM 328 CG PHE P 21 -12.756 10.510 -5.292 1.00 0.00 C ATOM 329 CD1 PHE P 21 -13.793 10.661 -6.166 1.00 0.00 C ATOM 330 CD2 PHE P 21 -11.429 10.774 -5.744 1.00 0.00 C ATOM 331 CE1 PHE P 21 -13.661 11.347 -7.444 1.00 0.00 C ATOM 332 CE2 PHE P 21 -11.299 11.498 -6.966 1.00 0.00 C ATOM 333 CZ PHE P 21 -12.344 11.741 -7.843 1.00 0.00 C ATOM 0 H PHE P 21 -14.930 9.332 -2.167 1.00 0.00 H new ATOM 0 HA PHE P 21 -12.879 11.180 -2.269 1.00 0.00 H new ATOM 0 HB2 PHE P 21 -12.201 9.490 -3.514 1.00 0.00 H new ATOM 0 HB3 PHE P 21 -13.809 9.108 -4.095 1.00 0.00 H new ATOM 0 HD1 PHE P 21 -14.756 10.253 -5.898 1.00 0.00 H new ATOM 0 HD2 PHE P 21 -10.565 10.442 -5.188 1.00 0.00 H new ATOM 0 HE1 PHE P 21 -14.521 11.550 -8.065 1.00 0.00 H new ATOM 0 HE2 PHE P 21 -10.323 11.882 -7.224 1.00 0.00 H new ATOM 0 HZ PHE P 21 -12.170 12.213 -8.799 1.00 0.00 H new ATOM 343 N LEU P 22 -15.627 12.143 -4.090 1.00 0.00 N ATOM 344 CA LEU P 22 -16.303 13.270 -4.757 1.00 0.00 C ATOM 345 C LEU P 22 -16.190 14.547 -4.001 1.00 0.00 C ATOM 346 O LEU P 22 -16.354 15.659 -4.545 1.00 0.00 O ATOM 347 CB LEU P 22 -17.800 13.014 -4.988 1.00 0.00 C ATOM 348 CG LEU P 22 -18.324 11.859 -5.900 1.00 0.00 C ATOM 349 CD1 LEU P 22 -19.829 12.086 -5.950 1.00 0.00 C ATOM 350 CD2 LEU P 22 -17.590 11.859 -7.255 1.00 0.00 C ATOM 0 H LEU P 22 -16.231 11.335 -3.939 1.00 0.00 H new ATOM 0 HA LEU P 22 -15.785 13.356 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU P 22 -18.245 12.861 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU P 22 -18.217 13.939 -5.386 1.00 0.00 H new ATOM 0 HG LEU P 22 -18.124 10.854 -5.529 1.00 0.00 H new ATOM 0 HD11 LEU P 22 -20.292 11.320 -6.572 1.00 0.00 H new ATOM 0 HD12 LEU P 22 -20.239 12.032 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU P 22 -20.035 13.069 -6.373 1.00 0.00 H new ATOM 0 HD21 LEU P 22 -17.970 11.047 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU P 22 -17.758 12.810 -7.760 1.00 0.00 H new ATOM 0 HD23 LEU P 22 -16.522 11.720 -7.090 1.00 0.00 H new ATOM 362 N GLN P 23 -15.983 14.429 -2.724 1.00 0.00 N ATOM 363 CA GLN P 23 -15.946 15.497 -1.739 1.00 0.00 C ATOM 364 C GLN P 23 -14.481 15.769 -1.221 1.00 0.00 C ATOM 365 O GLN P 23 -14.223 16.790 -0.540 1.00 0.00 O ATOM 366 CB GLN P 23 -16.887 15.086 -0.550 1.00 0.00 C ATOM 367 CG GLN P 23 -18.162 14.246 -0.773 1.00 0.00 C ATOM 368 CD GLN P 23 -19.183 14.973 -1.572 1.00 0.00 C ATOM 369 OE1 GLN P 23 -19.335 16.184 -1.520 1.00 0.00 O ATOM 370 NE2 GLN P 23 -20.024 14.272 -2.345 1.00 0.00 N ATOM 0 H GLN P 23 -15.822 13.516 -2.299 1.00 0.00 H new ATOM 0 HA GLN P 23 -16.288 16.425 -2.198 1.00 0.00 H new ATOM 0 HB2 GLN P 23 -16.271 14.540 0.165 1.00 0.00 H new ATOM 0 HB3 GLN P 23 -17.199 16.009 -0.062 1.00 0.00 H new ATOM 0 HG2 GLN P 23 -17.899 13.318 -1.281 1.00 0.00 H new ATOM 0 HG3 GLN P 23 -18.587 13.971 0.192 1.00 0.00 H new ATOM 0 HE21 GLN P 23 -19.929 13.259 -2.414 1.00 0.00 H new ATOM 0 HE22 GLN P 23 -20.759 14.752 -2.864 1.00 0.00 H new ATOM 379 N GLY P 24 -13.592 14.859 -1.547 1.00 0.00 N ATOM 380 CA GLY P 24 -12.193 14.836 -1.079 1.00 0.00 C ATOM 381 C GLY P 24 -11.224 14.005 -1.937 1.00 0.00 C ATOM 382 O GLY P 24 -10.967 12.905 -1.626 1.00 0.00 O ATOM 0 H GLY P 24 -13.814 14.080 -2.166 1.00 0.00 H new ATOM 0 HA2 GLY P 24 -11.825 15.861 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY P 24 -12.175 14.447 -0.061 1.00 0.00 H new ATOM 386 N ARG P 25 -10.885 14.518 -3.142 1.00 0.00 N ATOM 387 CA ARG P 25 -10.058 13.862 -4.111 1.00 0.00 C ATOM 388 C ARG P 25 -8.656 13.450 -3.641 1.00 0.00 C ATOM 389 O ARG P 25 -8.068 12.597 -4.404 1.00 0.00 O ATOM 390 CB ARG P 25 -10.133 14.721 -5.365 1.00 0.00 C ATOM 391 CG ARG P 25 -11.531 14.777 -5.989 1.00 0.00 C ATOM 392 CD ARG P 25 -11.609 15.302 -7.361 1.00 0.00 C ATOM 393 NE ARG P 25 -11.362 16.756 -7.401 1.00 0.00 N ATOM 394 CZ ARG P 25 -11.938 17.619 -8.197 1.00 0.00 C ATOM 395 NH1 ARG P 25 -13.019 17.301 -8.760 1.00 0.00 N ATOM 396 NH2 ARG P 25 -11.501 18.815 -8.336 1.00 0.00 N ATOM 0 H ARG P 25 -11.205 15.435 -3.452 1.00 0.00 H new ATOM 0 HA ARG P 25 -10.438 12.862 -4.321 1.00 0.00 H new ATOM 0 HB2 ARG P 25 -9.813 15.734 -5.121 1.00 0.00 H new ATOM 0 HB3 ARG P 25 -9.430 14.334 -6.103 1.00 0.00 H new ATOM 0 HG2 ARG P 25 -11.950 13.771 -5.983 1.00 0.00 H new ATOM 0 HG3 ARG P 25 -12.167 15.390 -5.351 1.00 0.00 H new ATOM 0 HD2 ARG P 25 -10.879 14.791 -7.989 1.00 0.00 H new ATOM 0 HD3 ARG P 25 -12.593 15.088 -7.778 1.00 0.00 H new ATOM 0 HE ARG P 25 -10.675 17.124 -6.743 1.00 0.00 H new ATOM 0 HH11 ARG P 25 -13.431 16.383 -8.592 1.00 0.00 H new ATOM 0 HH12 ARG P 25 -13.482 17.961 -9.384 1.00 0.00 H new ATOM 0 HH21 ARG P 25 -10.678 19.121 -7.817 1.00 0.00 H new ATOM 0 HH22 ARG P 25 -11.976 19.461 -8.966 1.00 0.00 H new ATOM 410 N TYR P 26 -8.097 13.998 -2.569 1.00 0.00 N ATOM 411 CA TYR P 26 -6.884 13.624 -1.844 1.00 0.00 C ATOM 412 C TYR P 26 -7.040 13.429 -0.379 1.00 0.00 C ATOM 413 O TYR P 26 -7.646 14.297 0.317 1.00 0.00 O ATOM 414 CB TYR P 26 -5.827 14.739 -2.081 1.00 0.00 C ATOM 415 CG TYR P 26 -5.728 15.006 -3.571 1.00 0.00 C ATOM 416 CD1 TYR P 26 -6.603 15.827 -4.320 1.00 0.00 C ATOM 417 CD2 TYR P 26 -4.861 14.174 -4.207 1.00 0.00 C ATOM 418 CE1 TYR P 26 -6.580 15.771 -5.732 1.00 0.00 C ATOM 419 CE2 TYR P 26 -4.719 14.121 -5.548 1.00 0.00 C ATOM 420 CZ TYR P 26 -5.667 14.906 -6.342 1.00 0.00 C ATOM 421 OH TYR P 26 -5.428 14.820 -7.715 1.00 0.00 O ATOM 0 H TYR P 26 -8.533 14.811 -2.135 1.00 0.00 H new ATOM 0 HA TYR P 26 -6.589 12.650 -2.234 1.00 0.00 H new ATOM 0 HB2 TYR P 26 -6.112 15.649 -1.552 1.00 0.00 H new ATOM 0 HB3 TYR P 26 -4.858 14.431 -1.687 1.00 0.00 H new ATOM 0 HD1 TYR P 26 -7.286 16.494 -3.815 1.00 0.00 H new ATOM 0 HD2 TYR P 26 -4.251 13.518 -3.604 1.00 0.00 H new ATOM 0 HE1 TYR P 26 -7.249 16.379 -6.323 1.00 0.00 H new ATOM 0 HE2 TYR P 26 -3.945 13.529 -6.013 1.00 0.00 H new ATOM 0 HH TYR P 26 -4.743 14.140 -7.886 1.00 0.00 H new ATOM 431 N LEU P 27 -6.595 12.192 0.130 1.00 0.00 N ATOM 432 CA LEU P 27 -6.728 11.976 1.566 1.00 0.00 C ATOM 433 C LEU P 27 -5.927 12.968 2.437 1.00 0.00 C ATOM 434 O LEU P 27 -4.940 13.600 1.986 1.00 0.00 O ATOM 435 CB LEU P 27 -6.163 10.535 2.009 1.00 0.00 C ATOM 436 CG LEU P 27 -6.997 9.403 1.493 1.00 0.00 C ATOM 437 CD1 LEU P 27 -8.540 9.478 1.460 1.00 0.00 C ATOM 438 CD2 LEU P 27 -6.491 8.953 0.146 1.00 0.00 C ATOM 0 H LEU P 27 -6.187 11.429 -0.410 1.00 0.00 H new ATOM 0 HA LEU P 27 -7.800 12.093 1.728 1.00 0.00 H new ATOM 0 HB2 LEU P 27 -5.141 10.423 1.646 1.00 0.00 H new ATOM 0 HB3 LEU P 27 -6.122 10.484 3.097 1.00 0.00 H new ATOM 0 HG LEU P 27 -6.847 8.687 2.301 1.00 0.00 H new ATOM 0 HD11 LEU P 27 -8.941 8.551 1.049 1.00 0.00 H new ATOM 0 HD12 LEU P 27 -8.919 9.620 2.472 1.00 0.00 H new ATOM 0 HD13 LEU P 27 -8.850 10.316 0.835 1.00 0.00 H new ATOM 0 HD21 LEU P 27 -7.106 8.130 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU P 27 -6.543 9.783 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU P 27 -5.457 8.620 0.238 1.00 0.00 H new ATOM 450 N THR P 28 -6.414 12.964 3.654 1.00 0.00 N ATOM 451 CA THR P 28 -6.037 13.737 4.839 1.00 0.00 C ATOM 452 C THR P 28 -6.603 12.916 5.960 1.00 0.00 C ATOM 453 O THR P 28 -7.440 12.037 5.728 1.00 0.00 O ATOM 454 CB THR P 28 -6.740 15.112 4.944 1.00 0.00 C ATOM 455 OG1 THR P 28 -8.128 15.033 4.638 1.00 0.00 O ATOM 456 CG2 THR P 28 -6.065 16.161 3.991 1.00 0.00 C ATOM 0 H THR P 28 -7.188 12.338 3.877 1.00 0.00 H new ATOM 0 HA THR P 28 -4.963 13.921 4.833 1.00 0.00 H new ATOM 0 HB THR P 28 -6.634 15.433 5.980 1.00 0.00 H new ATOM 0 HG1 THR P 28 -8.498 15.937 4.562 1.00 0.00 H new ATOM 0 HG21 THR P 28 -6.577 17.119 4.083 1.00 0.00 H new ATOM 0 HG22 THR P 28 -5.017 16.282 4.267 1.00 0.00 H new ATOM 0 HG23 THR P 28 -6.131 15.812 2.961 1.00 0.00 H new ATOM 464 N ALA P 29 -6.199 13.164 7.205 1.00 0.00 N ATOM 465 CA ALA P 29 -6.740 12.281 8.260 1.00 0.00 C ATOM 466 C ALA P 29 -8.311 12.280 8.355 1.00 0.00 C ATOM 467 O ALA P 29 -8.906 11.218 8.483 1.00 0.00 O ATOM 468 CB ALA P 29 -6.126 12.652 9.581 1.00 0.00 C ATOM 0 H ALA P 29 -5.557 13.899 7.502 1.00 0.00 H new ATOM 0 HA ALA P 29 -6.469 11.261 7.987 1.00 0.00 H new ATOM 0 HB1 ALA P 29 -6.523 12.003 10.362 1.00 0.00 H new ATOM 0 HB2 ALA P 29 -5.044 12.533 9.525 1.00 0.00 H new ATOM 0 HB3 ALA P 29 -6.366 13.689 9.815 1.00 0.00 H new ATOM 474 N PRO P 30 -9.028 13.436 8.200 1.00 0.00 N ATOM 475 CA PRO P 30 -10.474 13.462 8.085 1.00 0.00 C ATOM 476 C PRO P 30 -10.994 12.572 6.880 1.00 0.00 C ATOM 477 O PRO P 30 -11.952 11.810 7.040 1.00 0.00 O ATOM 478 CB PRO P 30 -10.957 14.878 7.911 1.00 0.00 C ATOM 479 CG PRO P 30 -9.684 15.636 7.555 1.00 0.00 C ATOM 480 CD PRO P 30 -8.615 14.811 8.252 1.00 0.00 C ATOM 0 HA PRO P 30 -10.877 13.044 9.007 1.00 0.00 H new ATOM 0 HB2 PRO P 30 -11.706 14.955 7.122 1.00 0.00 H new ATOM 0 HB3 PRO P 30 -11.414 15.263 8.823 1.00 0.00 H new ATOM 0 HG2 PRO P 30 -9.525 15.682 6.478 1.00 0.00 H new ATOM 0 HG3 PRO P 30 -9.707 16.664 7.918 1.00 0.00 H new ATOM 0 HD2 PRO P 30 -7.650 14.940 7.761 1.00 0.00 H new ATOM 0 HD3 PRO P 30 -8.493 15.136 9.285 1.00 0.00 H new ATOM 488 N ARG P 31 -10.321 12.677 5.745 1.00 0.00 N ATOM 489 CA ARG P 31 -10.873 11.959 4.533 1.00 0.00 C ATOM 490 C ARG P 31 -10.865 10.432 4.751 1.00 0.00 C ATOM 491 O ARG P 31 -11.855 9.698 4.727 1.00 0.00 O ATOM 492 CB ARG P 31 -10.053 12.339 3.352 1.00 0.00 C ATOM 493 CG ARG P 31 -10.738 13.415 2.470 1.00 0.00 C ATOM 494 CD ARG P 31 -11.080 14.666 3.323 1.00 0.00 C ATOM 495 NE ARG P 31 -12.330 15.312 2.825 1.00 0.00 N ATOM 496 CZ ARG P 31 -12.870 16.426 3.252 1.00 0.00 C ATOM 497 NH1 ARG P 31 -12.297 17.223 4.135 1.00 0.00 N ATOM 498 NH2 ARG P 31 -14.039 16.715 2.764 1.00 0.00 N ATOM 0 H ARG P 31 -9.457 13.201 5.606 1.00 0.00 H new ATOM 0 HA ARG P 31 -11.910 12.251 4.366 1.00 0.00 H new ATOM 0 HB2 ARG P 31 -9.087 12.714 3.691 1.00 0.00 H new ATOM 0 HB3 ARG P 31 -9.857 11.452 2.750 1.00 0.00 H new ATOM 0 HG2 ARG P 31 -10.080 13.695 1.648 1.00 0.00 H new ATOM 0 HG3 ARG P 31 -11.647 13.008 2.027 1.00 0.00 H new ATOM 0 HD2 ARG P 31 -11.203 14.379 4.367 1.00 0.00 H new ATOM 0 HD3 ARG P 31 -10.255 15.377 3.283 1.00 0.00 H new ATOM 0 HE ARG P 31 -12.818 14.833 2.068 1.00 0.00 H new ATOM 0 HH11 ARG P 31 -11.384 16.983 4.522 1.00 0.00 H new ATOM 0 HH12 ARG P 31 -12.767 18.079 4.430 1.00 0.00 H new ATOM 0 HH21 ARG P 31 -14.480 16.088 2.091 1.00 0.00 H new ATOM 0 HH22 ARG P 31 -14.516 17.569 3.054 1.00 0.00 H new ATOM 512 N LEU P 32 -9.627 9.992 5.083 1.00 0.00 N ATOM 513 CA LEU P 32 -9.155 8.705 5.464 1.00 0.00 C ATOM 514 C LEU P 32 -9.966 7.987 6.586 1.00 0.00 C ATOM 515 O LEU P 32 -10.397 6.831 6.419 1.00 0.00 O ATOM 516 CB LEU P 32 -7.605 8.885 5.672 1.00 0.00 C ATOM 517 CG LEU P 32 -6.655 7.704 5.469 1.00 0.00 C ATOM 518 CD1 LEU P 32 -5.301 8.290 5.791 1.00 0.00 C ATOM 519 CD2 LEU P 32 -6.995 6.536 6.326 1.00 0.00 C ATOM 0 H LEU P 32 -8.852 10.655 5.078 1.00 0.00 H new ATOM 0 HA LEU P 32 -9.332 7.961 4.687 1.00 0.00 H new ATOM 0 HB2 LEU P 32 -7.280 9.679 5.000 1.00 0.00 H new ATOM 0 HB3 LEU P 32 -7.456 9.247 6.689 1.00 0.00 H new ATOM 0 HG LEU P 32 -6.706 7.293 4.461 1.00 0.00 H new ATOM 0 HD11 LEU P 32 -4.536 7.522 5.677 1.00 0.00 H new ATOM 0 HD12 LEU P 32 -5.091 9.116 5.111 1.00 0.00 H new ATOM 0 HD13 LEU P 32 -5.298 8.656 6.818 1.00 0.00 H new ATOM 0 HD21 LEU P 32 -6.287 5.729 6.139 1.00 0.00 H new ATOM 0 HD22 LEU P 32 -6.944 6.827 7.375 1.00 0.00 H new ATOM 0 HD23 LEU P 32 -8.004 6.195 6.093 1.00 0.00 H new ATOM 531 N ALA P 33 -10.175 8.738 7.681 1.00 0.00 N ATOM 532 CA ALA P 33 -10.877 8.301 8.931 1.00 0.00 C ATOM 533 C ALA P 33 -12.404 8.192 8.672 1.00 0.00 C ATOM 534 O ALA P 33 -13.001 7.189 9.023 1.00 0.00 O ATOM 535 CB ALA P 33 -10.563 9.143 10.141 1.00 0.00 C ATOM 0 H ALA P 33 -9.853 9.704 7.736 1.00 0.00 H new ATOM 0 HA ALA P 33 -10.489 7.314 9.182 1.00 0.00 H new ATOM 0 HB1 ALA P 33 -11.111 8.761 11.002 1.00 0.00 H new ATOM 0 HB2 ALA P 33 -9.493 9.103 10.344 1.00 0.00 H new ATOM 0 HB3 ALA P 33 -10.858 10.175 9.953 1.00 0.00 H new ATOM 541 N ASP P 34 -12.997 9.241 8.029 1.00 0.00 N ATOM 542 CA ASP P 34 -14.428 9.252 7.715 1.00 0.00 C ATOM 543 C ASP P 34 -14.680 7.981 6.830 1.00 0.00 C ATOM 544 O ASP P 34 -15.599 7.232 7.169 1.00 0.00 O ATOM 545 CB ASP P 34 -14.712 10.523 6.952 1.00 0.00 C ATOM 546 CG ASP P 34 -16.134 10.766 6.478 1.00 0.00 C ATOM 547 OD1 ASP P 34 -17.067 10.940 7.303 1.00 0.00 O ATOM 548 OD2 ASP P 34 -16.268 10.939 5.266 1.00 0.00 O ATOM 0 H ASP P 34 -12.496 10.076 7.727 1.00 0.00 H new ATOM 0 HA ASP P 34 -15.073 9.227 8.593 1.00 0.00 H new ATOM 0 HB2 ASP P 34 -14.422 11.363 7.583 1.00 0.00 H new ATOM 0 HB3 ASP P 34 -14.061 10.541 6.078 1.00 0.00 H new ATOM 553 N LEU P 35 -13.850 7.782 5.776 1.00 0.00 N ATOM 554 CA LEU P 35 -14.018 6.528 5.005 1.00 0.00 C ATOM 555 C LEU P 35 -13.708 5.199 5.777 1.00 0.00 C ATOM 556 O LEU P 35 -14.462 4.280 5.600 1.00 0.00 O ATOM 557 CB LEU P 35 -13.272 6.630 3.655 1.00 0.00 C ATOM 558 CG LEU P 35 -14.156 6.658 2.351 1.00 0.00 C ATOM 559 CD1 LEU P 35 -15.546 7.221 2.459 1.00 0.00 C ATOM 560 CD2 LEU P 35 -13.469 7.602 1.357 1.00 0.00 C ATOM 0 H LEU P 35 -13.116 8.416 5.460 1.00 0.00 H new ATOM 0 HA LEU P 35 -15.088 6.441 4.817 1.00 0.00 H new ATOM 0 HB2 LEU P 35 -12.663 7.534 3.671 1.00 0.00 H new ATOM 0 HB3 LEU P 35 -12.587 5.786 3.582 1.00 0.00 H new ATOM 0 HG LEU P 35 -14.248 5.606 2.079 1.00 0.00 H new ATOM 0 HD11 LEU P 35 -16.034 7.175 1.485 1.00 0.00 H new ATOM 0 HD12 LEU P 35 -16.120 6.638 3.180 1.00 0.00 H new ATOM 0 HD13 LEU P 35 -15.494 8.258 2.790 1.00 0.00 H new ATOM 0 HD21 LEU P 35 -14.052 7.649 0.437 1.00 0.00 H new ATOM 0 HD22 LEU P 35 -13.397 8.599 1.792 1.00 0.00 H new ATOM 0 HD23 LEU P 35 -12.469 7.230 1.134 1.00 0.00 H new ATOM 572 N SER P 36 -12.665 5.084 6.588 1.00 0.00 N ATOM 573 CA SER P 36 -12.323 3.854 7.381 1.00 0.00 C ATOM 574 C SER P 36 -13.441 3.440 8.358 1.00 0.00 C ATOM 575 O SER P 36 -13.821 2.303 8.378 1.00 0.00 O ATOM 576 CB SER P 36 -10.951 3.949 8.049 1.00 0.00 C ATOM 577 OG SER P 36 -9.919 4.304 7.170 1.00 0.00 O ATOM 0 H SER P 36 -12.003 5.846 6.734 1.00 0.00 H new ATOM 0 HA SER P 36 -12.249 3.041 6.659 1.00 0.00 H new ATOM 0 HB2 SER P 36 -10.999 4.682 8.854 1.00 0.00 H new ATOM 0 HB3 SER P 36 -10.712 2.989 8.506 1.00 0.00 H new ATOM 0 HG SER P 36 -10.052 5.226 6.865 1.00 0.00 H new ATOM 583 N ALA P 37 -14.121 4.462 8.954 1.00 0.00 N ATOM 584 CA ALA P 37 -15.381 4.207 9.720 1.00 0.00 C ATOM 585 C ALA P 37 -16.548 3.958 8.691 1.00 0.00 C ATOM 586 O ALA P 37 -17.198 2.942 8.786 1.00 0.00 O ATOM 587 CB ALA P 37 -15.706 5.530 10.536 1.00 0.00 C ATOM 0 H ALA P 37 -13.832 5.440 8.923 1.00 0.00 H new ATOM 0 HA ALA P 37 -15.276 3.347 10.382 1.00 0.00 H new ATOM 0 HB1 ALA P 37 -16.621 5.387 11.111 1.00 0.00 H new ATOM 0 HB2 ALA P 37 -14.882 5.751 11.214 1.00 0.00 H new ATOM 0 HB3 ALA P 37 -15.839 6.361 9.844 1.00 0.00 H new ATOM 593 N LYS P 38 -16.794 4.753 7.685 1.00 0.00 N ATOM 594 CA LYS P 38 -17.930 4.543 6.759 1.00 0.00 C ATOM 595 C LYS P 38 -17.838 3.202 5.998 1.00 0.00 C ATOM 596 O LYS P 38 -18.881 2.503 5.943 1.00 0.00 O ATOM 597 CB LYS P 38 -17.864 5.642 5.679 1.00 0.00 C ATOM 598 CG LYS P 38 -19.045 5.629 4.687 1.00 0.00 C ATOM 599 CD LYS P 38 -20.410 6.054 5.282 1.00 0.00 C ATOM 600 CE LYS P 38 -20.474 7.416 5.950 1.00 0.00 C ATOM 601 NZ LYS P 38 -21.891 7.885 6.218 1.00 0.00 N ATOM 0 H LYS P 38 -16.226 5.571 7.464 1.00 0.00 H new ATOM 0 HA LYS P 38 -18.843 4.557 7.355 1.00 0.00 H new ATOM 0 HB2 LYS P 38 -17.827 6.615 6.169 1.00 0.00 H new ATOM 0 HB3 LYS P 38 -16.934 5.531 5.121 1.00 0.00 H new ATOM 0 HG2 LYS P 38 -18.807 6.292 3.855 1.00 0.00 H new ATOM 0 HG3 LYS P 38 -19.143 4.624 4.276 1.00 0.00 H new ATOM 0 HD2 LYS P 38 -21.150 6.033 4.482 1.00 0.00 H new ATOM 0 HD3 LYS P 38 -20.710 5.303 6.013 1.00 0.00 H new ATOM 0 HE2 LYS P 38 -19.927 7.377 6.892 1.00 0.00 H new ATOM 0 HE3 LYS P 38 -19.970 8.147 5.318 1.00 0.00 H new ATOM 0 HZ1 LYS P 38 -21.867 8.819 6.674 1.00 0.00 H new ATOM 0 HZ2 LYS P 38 -22.410 7.952 5.319 1.00 0.00 H new ATOM 0 HZ3 LYS P 38 -22.369 7.206 6.844 1.00 0.00 H new ATOM 615 N LEU P 39 -16.726 2.865 5.386 1.00 0.00 N ATOM 616 CA LEU P 39 -16.482 1.583 4.727 1.00 0.00 C ATOM 617 C LEU P 39 -16.358 0.406 5.658 1.00 0.00 C ATOM 618 O LEU P 39 -16.475 -0.728 5.248 1.00 0.00 O ATOM 619 CB LEU P 39 -15.258 1.740 3.792 1.00 0.00 C ATOM 620 CG LEU P 39 -15.420 2.484 2.465 1.00 0.00 C ATOM 621 CD1 LEU P 39 -16.108 1.406 1.667 1.00 0.00 C ATOM 622 CD2 LEU P 39 -15.980 3.829 2.707 1.00 0.00 C ATOM 0 H LEU P 39 -15.927 3.497 5.326 1.00 0.00 H new ATOM 0 HA LEU P 39 -17.369 1.336 4.143 1.00 0.00 H new ATOM 0 HB2 LEU P 39 -14.476 2.246 4.358 1.00 0.00 H new ATOM 0 HB3 LEU P 39 -14.890 0.740 3.564 1.00 0.00 H new ATOM 0 HG LEU P 39 -14.567 2.824 1.878 1.00 0.00 H new ATOM 0 HD11 LEU P 39 -16.308 1.771 0.660 1.00 0.00 H new ATOM 0 HD12 LEU P 39 -15.466 0.527 1.613 1.00 0.00 H new ATOM 0 HD13 LEU P 39 -17.048 1.140 2.150 1.00 0.00 H new ATOM 0 HD21 LEU P 39 -16.092 4.353 1.758 1.00 0.00 H new ATOM 0 HD22 LEU P 39 -16.954 3.737 3.188 1.00 0.00 H new ATOM 0 HD23 LEU P 39 -15.308 4.392 3.354 1.00 0.00 H new ATOM 634 N ALA P 40 -16.066 0.675 6.939 1.00 0.00 N ATOM 635 CA ALA P 40 -15.619 -0.393 7.816 1.00 0.00 C ATOM 636 C ALA P 40 -14.408 -1.191 7.394 1.00 0.00 C ATOM 637 O ALA P 40 -14.370 -2.457 7.327 1.00 0.00 O ATOM 638 CB ALA P 40 -16.818 -1.199 8.325 1.00 0.00 C ATOM 0 H ALA P 40 -16.131 1.596 7.372 1.00 0.00 H new ATOM 0 HA ALA P 40 -15.169 0.105 8.675 1.00 0.00 H new ATOM 0 HB1 ALA P 40 -16.468 -1.996 8.981 1.00 0.00 H new ATOM 0 HB2 ALA P 40 -17.490 -0.542 8.878 1.00 0.00 H new ATOM 0 HB3 ALA P 40 -17.350 -1.633 7.479 1.00 0.00 H new ATOM 644 N LEU P 41 -13.278 -0.431 7.210 1.00 0.00 N ATOM 645 CA LEU P 41 -11.999 -0.984 6.761 1.00 0.00 C ATOM 646 C LEU P 41 -10.920 -0.371 7.603 1.00 0.00 C ATOM 647 O LEU P 41 -11.121 0.515 8.512 1.00 0.00 O ATOM 648 CB LEU P 41 -11.771 -0.569 5.241 1.00 0.00 C ATOM 649 CG LEU P 41 -12.446 -1.425 4.163 1.00 0.00 C ATOM 650 CD1 LEU P 41 -11.746 -1.305 2.740 1.00 0.00 C ATOM 651 CD2 LEU P 41 -12.511 -2.906 4.529 1.00 0.00 C ATOM 0 H LEU P 41 -13.252 0.575 7.374 1.00 0.00 H new ATOM 0 HA LEU P 41 -11.988 -2.070 6.851 1.00 0.00 H new ATOM 0 HB2 LEU P 41 -12.114 0.458 5.118 1.00 0.00 H new ATOM 0 HB3 LEU P 41 -10.698 -0.572 5.049 1.00 0.00 H new ATOM 0 HG LEU P 41 -13.456 -1.020 4.105 1.00 0.00 H new ATOM 0 HD11 LEU P 41 -12.271 -1.935 2.022 1.00 0.00 H new ATOM 0 HD12 LEU P 41 -11.778 -0.268 2.405 1.00 0.00 H new ATOM 0 HD13 LEU P 41 -10.708 -1.630 2.816 1.00 0.00 H new ATOM 0 HD21 LEU P 41 -13.000 -3.458 3.726 1.00 0.00 H new ATOM 0 HD22 LEU P 41 -11.501 -3.290 4.671 1.00 0.00 H new ATOM 0 HD23 LEU P 41 -13.079 -3.028 5.451 1.00 0.00 H new ATOM 663 N GLY P 42 -9.681 -0.826 7.414 1.00 0.00 N ATOM 664 CA GLY P 42 -8.536 -0.213 7.941 1.00 0.00 C ATOM 665 C GLY P 42 -8.149 1.111 7.243 1.00 0.00 C ATOM 666 O GLY P 42 -8.530 1.357 6.072 1.00 0.00 O ATOM 0 H GLY P 42 -9.477 -1.662 6.866 1.00 0.00 H new ATOM 0 HA2 GLY P 42 -8.697 -0.018 9.001 1.00 0.00 H new ATOM 0 HA3 GLY P 42 -7.699 -0.908 7.868 1.00 0.00 H new ATOM 670 N THR P 43 -7.306 1.988 7.887 1.00 0.00 N ATOM 671 CA THR P 43 -6.752 3.248 7.341 1.00 0.00 C ATOM 672 C THR P 43 -5.830 3.157 6.077 1.00 0.00 C ATOM 673 O THR P 43 -5.899 3.976 5.125 1.00 0.00 O ATOM 674 CB THR P 43 -6.102 4.060 8.452 1.00 0.00 C ATOM 675 OG1 THR P 43 -5.366 3.211 9.376 1.00 0.00 O ATOM 676 CG2 THR P 43 -7.104 4.842 9.249 1.00 0.00 C ATOM 0 H THR P 43 -6.990 1.814 8.841 1.00 0.00 H new ATOM 0 HA THR P 43 -7.627 3.761 6.942 1.00 0.00 H new ATOM 0 HB THR P 43 -5.422 4.748 7.949 1.00 0.00 H new ATOM 0 HG1 THR P 43 -4.960 3.764 10.076 1.00 0.00 H new ATOM 0 HG21 THR P 43 -6.590 5.404 10.029 1.00 0.00 H new ATOM 0 HG22 THR P 43 -7.632 5.533 8.592 1.00 0.00 H new ATOM 0 HG23 THR P 43 -7.819 4.158 9.706 1.00 0.00 H new ATOM 684 N ALA P 44 -5.021 2.119 6.097 1.00 0.00 N ATOM 685 CA ALA P 44 -4.051 1.732 5.076 1.00 0.00 C ATOM 686 C ALA P 44 -4.760 1.546 3.717 1.00 0.00 C ATOM 687 O ALA P 44 -4.275 2.073 2.682 1.00 0.00 O ATOM 688 CB ALA P 44 -3.338 0.428 5.516 1.00 0.00 C ATOM 0 H ALA P 44 -5.019 1.470 6.884 1.00 0.00 H new ATOM 0 HA ALA P 44 -3.304 2.517 4.960 1.00 0.00 H new ATOM 0 HB1 ALA P 44 -2.613 0.136 4.756 1.00 0.00 H new ATOM 0 HB2 ALA P 44 -2.824 0.596 6.463 1.00 0.00 H new ATOM 0 HB3 ALA P 44 -4.075 -0.366 5.639 1.00 0.00 H new ATOM 694 N GLN P 45 -5.888 0.872 3.744 1.00 0.00 N ATOM 695 CA GLN P 45 -6.703 0.635 2.542 1.00 0.00 C ATOM 696 C GLN P 45 -7.240 1.827 1.845 1.00 0.00 C ATOM 697 O GLN P 45 -7.582 1.693 0.680 1.00 0.00 O ATOM 698 CB GLN P 45 -7.934 -0.275 2.951 1.00 0.00 C ATOM 699 CG GLN P 45 -7.501 -1.639 3.501 1.00 0.00 C ATOM 700 CD GLN P 45 -7.215 -1.781 4.963 1.00 0.00 C ATOM 701 OE1 GLN P 45 -6.662 -0.962 5.653 1.00 0.00 O ATOM 702 NE2 GLN P 45 -7.661 -2.887 5.560 1.00 0.00 N ATOM 0 H GLN P 45 -6.279 0.466 4.594 1.00 0.00 H new ATOM 0 HA GLN P 45 -6.015 0.175 1.832 1.00 0.00 H new ATOM 0 HB2 GLN P 45 -8.530 0.243 3.702 1.00 0.00 H new ATOM 0 HB3 GLN P 45 -8.575 -0.424 2.082 1.00 0.00 H new ATOM 0 HG2 GLN P 45 -8.281 -2.357 3.248 1.00 0.00 H new ATOM 0 HG3 GLN P 45 -6.604 -1.940 2.961 1.00 0.00 H new ATOM 0 HE21 GLN P 45 -8.135 -3.606 5.013 1.00 0.00 H new ATOM 0 HE22 GLN P 45 -7.528 -3.014 6.563 1.00 0.00 H new ATOM 711 N VAL P 46 -7.522 2.932 2.550 1.00 0.00 N ATOM 712 CA VAL P 46 -8.069 4.038 1.874 1.00 0.00 C ATOM 713 C VAL P 46 -6.977 4.756 1.132 1.00 0.00 C ATOM 714 O VAL P 46 -7.078 4.920 -0.077 1.00 0.00 O ATOM 715 CB VAL P 46 -8.885 4.998 2.765 1.00 0.00 C ATOM 716 CG1 VAL P 46 -9.797 5.978 2.142 1.00 0.00 C ATOM 717 CG2 VAL P 46 -9.689 4.218 3.866 1.00 0.00 C ATOM 0 H VAL P 46 -7.375 3.050 3.552 1.00 0.00 H new ATOM 0 HA VAL P 46 -8.802 3.646 1.169 1.00 0.00 H new ATOM 0 HB VAL P 46 -8.077 5.610 3.166 1.00 0.00 H new ATOM 0 HG11 VAL P 46 -10.285 6.566 2.919 1.00 0.00 H new ATOM 0 HG12 VAL P 46 -9.228 6.640 1.489 1.00 0.00 H new ATOM 0 HG13 VAL P 46 -10.552 5.452 1.557 1.00 0.00 H new ATOM 0 HG21 VAL P 46 -10.252 4.925 4.475 1.00 0.00 H new ATOM 0 HG22 VAL P 46 -10.378 3.521 3.388 1.00 0.00 H new ATOM 0 HG23 VAL P 46 -8.996 3.665 4.500 1.00 0.00 H new ATOM 727 N LYS P 47 -5.786 4.995 1.718 1.00 0.00 N ATOM 728 CA LYS P 47 -4.640 5.598 1.036 1.00 0.00 C ATOM 729 C LYS P 47 -4.236 4.717 -0.174 1.00 0.00 C ATOM 730 O LYS P 47 -4.228 5.101 -1.352 1.00 0.00 O ATOM 731 CB LYS P 47 -3.518 5.627 2.070 1.00 0.00 C ATOM 732 CG LYS P 47 -3.670 6.778 3.005 1.00 0.00 C ATOM 733 CD LYS P 47 -2.747 6.670 4.222 1.00 0.00 C ATOM 734 CE LYS P 47 -3.038 5.566 5.238 1.00 0.00 C ATOM 735 NZ LYS P 47 -2.326 5.780 6.497 1.00 0.00 N ATOM 0 H LYS P 47 -5.598 4.768 2.695 1.00 0.00 H new ATOM 0 HA LYS P 47 -4.861 6.597 0.659 1.00 0.00 H new ATOM 0 HB2 LYS P 47 -3.518 4.695 2.635 1.00 0.00 H new ATOM 0 HB3 LYS P 47 -2.555 5.693 1.563 1.00 0.00 H new ATOM 0 HG2 LYS P 47 -3.457 7.705 2.473 1.00 0.00 H new ATOM 0 HG3 LYS P 47 -4.705 6.834 3.342 1.00 0.00 H new ATOM 0 HD2 LYS P 47 -1.728 6.532 3.859 1.00 0.00 H new ATOM 0 HD3 LYS P 47 -2.772 7.625 4.748 1.00 0.00 H new ATOM 0 HE2 LYS P 47 -4.110 5.523 5.430 1.00 0.00 H new ATOM 0 HE3 LYS P 47 -2.751 4.602 4.818 1.00 0.00 H new ATOM 0 HZ1 LYS P 47 -2.551 5.009 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS P 47 -1.302 5.795 6.318 1.00 0.00 H new ATOM 0 HZ3 LYS P 47 -2.619 6.688 6.911 1.00 0.00 H new ATOM 749 N ILE P 48 -3.925 3.421 0.072 1.00 0.00 N ATOM 750 CA ILE P 48 -3.574 2.367 -0.915 1.00 0.00 C ATOM 751 C ILE P 48 -4.656 2.408 -1.998 1.00 0.00 C ATOM 752 O ILE P 48 -4.265 2.225 -3.170 1.00 0.00 O ATOM 753 CB ILE P 48 -3.149 0.992 -0.363 1.00 0.00 C ATOM 754 CG1 ILE P 48 -1.951 1.287 0.574 1.00 0.00 C ATOM 755 CG2 ILE P 48 -2.853 -0.056 -1.457 1.00 0.00 C ATOM 756 CD1 ILE P 48 -1.346 -0.017 1.128 1.00 0.00 C ATOM 0 H ILE P 48 -3.911 3.059 1.026 1.00 0.00 H new ATOM 0 HA ILE P 48 -2.610 2.593 -1.371 1.00 0.00 H new ATOM 0 HB ILE P 48 -3.963 0.515 0.183 1.00 0.00 H new ATOM 0 HG12 ILE P 48 -1.188 1.843 0.030 1.00 0.00 H new ATOM 0 HG13 ILE P 48 -2.278 1.919 1.399 1.00 0.00 H new ATOM 0 HG21 ILE P 48 -2.561 -0.997 -0.990 1.00 0.00 H new ATOM 0 HG22 ILE P 48 -3.746 -0.213 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE P 48 -2.043 0.301 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE P 48 -0.507 0.220 1.782 1.00 0.00 H new ATOM 0 HD12 ILE P 48 -2.105 -0.559 1.693 1.00 0.00 H new ATOM 0 HD13 ILE P 48 -0.997 -0.636 0.301 1.00 0.00 H new ATOM 768 N TRP P 49 -5.980 2.649 -1.701 1.00 0.00 N ATOM 769 CA TRP P 49 -7.027 2.783 -2.731 1.00 0.00 C ATOM 770 C TRP P 49 -6.729 4.012 -3.612 1.00 0.00 C ATOM 771 O TRP P 49 -6.547 3.669 -4.801 1.00 0.00 O ATOM 772 CB TRP P 49 -8.462 2.700 -2.144 1.00 0.00 C ATOM 773 CG TRP P 49 -9.509 2.829 -3.156 1.00 0.00 C ATOM 774 CD1 TRP P 49 -9.474 2.018 -4.247 1.00 0.00 C ATOM 775 CD2 TRP P 49 -10.393 3.883 -3.561 1.00 0.00 C ATOM 776 NE1 TRP P 49 -10.423 2.392 -5.162 1.00 0.00 N ATOM 777 CE2 TRP P 49 -11.071 3.551 -4.794 1.00 0.00 C ATOM 778 CE3 TRP P 49 -10.636 5.118 -2.916 1.00 0.00 C ATOM 779 CZ2 TRP P 49 -11.885 4.491 -5.387 1.00 0.00 C ATOM 780 CZ3 TRP P 49 -11.536 6.067 -3.534 1.00 0.00 C ATOM 781 CH2 TRP P 49 -12.175 5.755 -4.750 1.00 0.00 C ATOM 0 H TRP P 49 -6.328 2.751 -0.748 1.00 0.00 H new ATOM 0 HA TRP P 49 -6.999 1.921 -3.397 1.00 0.00 H new ATOM 0 HB2 TRP P 49 -8.581 1.748 -1.627 1.00 0.00 H new ATOM 0 HB3 TRP P 49 -8.588 3.485 -1.399 1.00 0.00 H new ATOM 0 HD1 TRP P 49 -8.791 1.191 -4.375 1.00 0.00 H new ATOM 0 HE1 TRP P 49 -10.626 1.873 -6.016 1.00 0.00 H new ATOM 0 HE3 TRP P 49 -10.157 5.349 -1.976 1.00 0.00 H new ATOM 0 HZ2 TRP P 49 -12.318 4.278 -6.353 1.00 0.00 H new ATOM 0 HZ3 TRP P 49 -11.719 7.020 -3.060 1.00 0.00 H new ATOM 0 HH2 TRP P 49 -12.870 6.449 -5.199 1.00 0.00 H new ATOM 792 N PHE P 50 -6.620 5.221 -3.077 1.00 0.00 N ATOM 793 CA PHE P 50 -6.564 6.455 -3.904 1.00 0.00 C ATOM 794 C PHE P 50 -5.231 6.511 -4.819 1.00 0.00 C ATOM 795 O PHE P 50 -5.204 7.084 -5.937 1.00 0.00 O ATOM 796 CB PHE P 50 -6.526 7.743 -3.053 1.00 0.00 C ATOM 797 CG PHE P 50 -7.937 8.159 -2.624 1.00 0.00 C ATOM 798 CD1 PHE P 50 -8.274 9.492 -2.887 1.00 0.00 C ATOM 799 CD2 PHE P 50 -8.749 7.315 -1.889 1.00 0.00 C ATOM 800 CE1 PHE P 50 -9.518 9.904 -2.297 1.00 0.00 C ATOM 801 CE2 PHE P 50 -9.980 7.745 -1.442 1.00 0.00 C ATOM 802 CZ PHE P 50 -10.355 9.045 -1.582 1.00 0.00 C ATOM 0 H PHE P 50 -6.567 5.391 -2.073 1.00 0.00 H new ATOM 0 HA PHE P 50 -7.470 6.412 -4.509 1.00 0.00 H new ATOM 0 HB2 PHE P 50 -5.906 7.582 -2.171 1.00 0.00 H new ATOM 0 HB3 PHE P 50 -6.064 8.548 -3.625 1.00 0.00 H new ATOM 0 HD1 PHE P 50 -7.656 10.151 -3.479 1.00 0.00 H new ATOM 0 HD2 PHE P 50 -8.417 6.312 -1.664 1.00 0.00 H new ATOM 0 HE1 PHE P 50 -9.822 10.934 -2.413 1.00 0.00 H new ATOM 0 HE2 PHE P 50 -10.654 7.042 -0.975 1.00 0.00 H new ATOM 0 HZ PHE P 50 -11.278 9.404 -1.151 1.00 0.00 H new ATOM 812 N LYS P 51 -4.196 5.852 -4.283 1.00 0.00 N ATOM 813 CA LYS P 51 -2.918 5.540 -5.015 1.00 0.00 C ATOM 814 C LYS P 51 -3.181 4.635 -6.195 1.00 0.00 C ATOM 815 O LYS P 51 -2.805 4.983 -7.318 1.00 0.00 O ATOM 816 CB LYS P 51 -1.781 4.758 -4.204 1.00 0.00 C ATOM 817 CG LYS P 51 -0.829 5.713 -3.504 1.00 0.00 C ATOM 818 CD LYS P 51 0.029 5.173 -2.426 1.00 0.00 C ATOM 819 CE LYS P 51 0.428 3.764 -2.597 1.00 0.00 C ATOM 820 NZ LYS P 51 1.672 3.694 -3.398 1.00 0.00 N ATOM 0 H LYS P 51 -4.202 5.509 -3.322 1.00 0.00 H new ATOM 0 HA LYS P 51 -2.562 6.542 -5.256 1.00 0.00 H new ATOM 0 HB2 LYS P 51 -2.246 4.103 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS P 51 -1.220 4.121 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS P 51 -0.178 6.150 -4.261 1.00 0.00 H new ATOM 0 HG3 LYS P 51 -1.421 6.526 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS P 51 0.929 5.784 -2.357 1.00 0.00 H new ATOM 0 HD3 LYS P 51 -0.498 5.274 -1.477 1.00 0.00 H new ATOM 0 HE2 LYS P 51 0.584 3.299 -1.624 1.00 0.00 H new ATOM 0 HE3 LYS P 51 -0.368 3.208 -3.093 1.00 0.00 H new ATOM 0 HZ1 LYS P 51 1.952 2.700 -3.518 1.00 0.00 H new ATOM 0 HZ2 LYS P 51 1.508 4.123 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS P 51 2.430 4.211 -2.908 1.00 0.00 H new