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 Single : P 10 THR OG1 : rot 180:sc= 0.0251 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= -0.0303 X(o=-0.03,f=-0.11) USER MOD Single : P 19 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : P 20 HIS : no HD1:sc= -0.6 X(o=-0.6,f=-0.15) USER MOD Single : P 23 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : P 26 TYR OH : rot 180:sc= 0 USER MOD Single : P 28 THR OG1 : rot -164:sc= -0.948 USER MOD Single : P 36 SER OG : rot -87:sc= 1.14 USER MOD Single : P 38 LYS NZ :NH3+ -142:sc= 0.223 (180deg=0.104) USER MOD Single : P 43 THR OG1 : rot 170:sc= 0.00329 USER MOD Single : P 45 GLN : amide:sc= -0.026 X(o=-0.026,f=-0.026) 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 -13.468 -5.393 1.203 1.00 0.00 N ATOM 159 CA THR P 10 -14.664 -6.025 0.807 1.00 0.00 C ATOM 160 C THR P 10 -15.355 -5.252 -0.320 1.00 0.00 C ATOM 161 O THR P 10 -14.961 -4.115 -0.643 1.00 0.00 O ATOM 162 CB THR P 10 -15.641 -6.320 1.936 1.00 0.00 C ATOM 163 OG1 THR P 10 -16.201 -5.047 2.271 1.00 0.00 O ATOM 164 CG2 THR P 10 -15.039 -6.916 3.175 1.00 0.00 C ATOM 0 HA THR P 10 -14.349 -7.001 0.438 1.00 0.00 H new ATOM 0 HB THR P 10 -16.352 -7.070 1.589 1.00 0.00 H new ATOM 0 HG1 THR P 10 -16.849 -5.156 2.998 1.00 0.00 H new ATOM 0 HG21 THR P 10 -15.822 -7.086 3.914 1.00 0.00 H new ATOM 0 HG22 THR P 10 -14.561 -7.864 2.928 1.00 0.00 H new ATOM 0 HG23 THR P 10 -14.296 -6.231 3.584 1.00 0.00 H new ATOM 172 N SER P 11 -16.349 -5.891 -0.985 1.00 0.00 N ATOM 173 CA SER P 11 -17.041 -5.119 -2.080 1.00 0.00 C ATOM 174 C SER P 11 -17.935 -4.036 -1.543 1.00 0.00 C ATOM 175 O SER P 11 -17.948 -2.964 -2.195 1.00 0.00 O ATOM 176 CB SER P 11 -17.924 -6.048 -2.917 1.00 0.00 C ATOM 177 OG SER P 11 -17.058 -6.942 -3.551 1.00 0.00 O ATOM 0 H SER P 11 -16.676 -6.843 -0.818 1.00 0.00 H new ATOM 0 HA SER P 11 -16.246 -4.674 -2.679 1.00 0.00 H new ATOM 0 HB2 SER P 11 -18.638 -6.578 -2.287 1.00 0.00 H new ATOM 0 HB3 SER P 11 -18.502 -5.482 -3.647 1.00 0.00 H new ATOM 0 HG SER P 11 -17.577 -7.565 -4.102 1.00 0.00 H new ATOM 183 N SER P 12 -18.468 -4.120 -0.324 1.00 0.00 N ATOM 184 CA SER P 12 -19.094 -3.004 0.416 1.00 0.00 C ATOM 185 C SER P 12 -18.110 -1.884 0.717 1.00 0.00 C ATOM 186 O SER P 12 -18.431 -0.698 0.706 1.00 0.00 O ATOM 187 CB SER P 12 -19.737 -3.505 1.735 1.00 0.00 C ATOM 188 OG SER P 12 -20.504 -4.643 1.539 1.00 0.00 O ATOM 0 H SER P 12 -18.480 -4.994 0.201 1.00 0.00 H new ATOM 0 HA SER P 12 -19.871 -2.599 -0.233 1.00 0.00 H new ATOM 0 HB2 SER P 12 -18.954 -3.717 2.463 1.00 0.00 H new ATOM 0 HB3 SER P 12 -20.360 -2.716 2.157 1.00 0.00 H new ATOM 0 HG SER P 12 -20.890 -4.928 2.393 1.00 0.00 H new ATOM 194 N GLN P 13 -16.847 -2.168 0.946 1.00 0.00 N ATOM 195 CA GLN P 13 -15.783 -1.176 1.128 1.00 0.00 C ATOM 196 C GLN P 13 -15.389 -0.503 -0.191 1.00 0.00 C ATOM 197 O GLN P 13 -15.338 0.687 -0.211 1.00 0.00 O ATOM 198 CB GLN P 13 -14.601 -1.781 1.833 1.00 0.00 C ATOM 199 CG GLN P 13 -15.142 -1.950 3.263 1.00 0.00 C ATOM 200 CD GLN P 13 -13.968 -2.410 4.093 1.00 0.00 C ATOM 201 OE1 GLN P 13 -13.411 -3.410 3.863 1.00 0.00 O ATOM 202 NE2 GLN P 13 -13.929 -1.916 5.286 1.00 0.00 N ATOM 0 H GLN P 13 -16.509 -3.128 1.015 1.00 0.00 H new ATOM 0 HA GLN P 13 -16.176 -0.385 1.766 1.00 0.00 H new ATOM 0 HB2 GLN P 13 -14.305 -2.733 1.392 1.00 0.00 H new ATOM 0 HB3 GLN P 13 -13.728 -1.130 1.800 1.00 0.00 H new ATOM 0 HG2 GLN P 13 -15.546 -1.011 3.642 1.00 0.00 H new ATOM 0 HG3 GLN P 13 -15.951 -2.680 3.292 1.00 0.00 H new ATOM 0 HE21 GLN P 13 -14.414 -1.043 5.492 1.00 0.00 H new ATOM 0 HE22 GLN P 13 -13.413 -2.399 6.021 1.00 0.00 H new ATOM 211 N ILE P 14 -15.201 -1.243 -1.278 1.00 0.00 N ATOM 212 CA ILE P 14 -14.888 -0.586 -2.511 1.00 0.00 C ATOM 213 C ILE P 14 -16.143 0.212 -2.946 1.00 0.00 C ATOM 214 O ILE P 14 -15.978 1.320 -3.406 1.00 0.00 O ATOM 215 CB ILE P 14 -14.433 -1.601 -3.546 1.00 0.00 C ATOM 216 CG1 ILE P 14 -13.064 -2.143 -3.180 1.00 0.00 C ATOM 217 CG2 ILE P 14 -14.360 -0.941 -4.955 1.00 0.00 C ATOM 218 CD1 ILE P 14 -12.757 -3.422 -3.906 1.00 0.00 C ATOM 0 H ILE P 14 -15.260 -2.260 -1.319 1.00 0.00 H new ATOM 0 HA ILE P 14 -14.058 0.111 -2.396 1.00 0.00 H new ATOM 0 HB ILE P 14 -15.155 -2.417 -3.566 1.00 0.00 H new ATOM 0 HG12 ILE P 14 -12.303 -1.399 -3.417 1.00 0.00 H new ATOM 0 HG13 ILE P 14 -13.017 -2.315 -2.105 1.00 0.00 H new ATOM 0 HG21 ILE P 14 -14.033 -1.680 -5.686 1.00 0.00 H new ATOM 0 HG22 ILE P 14 -15.345 -0.567 -5.233 1.00 0.00 H new ATOM 0 HG23 ILE P 14 -13.651 -0.114 -4.933 1.00 0.00 H new ATOM 0 HD11 ILE P 14 -11.768 -3.777 -3.616 1.00 0.00 H new ATOM 0 HD12 ILE P 14 -13.502 -4.174 -3.648 1.00 0.00 H new ATOM 0 HD13 ILE P 14 -12.778 -3.244 -4.981 1.00 0.00 H new ATOM 230 N ALA P 15 -17.329 -0.239 -2.582 1.00 0.00 N ATOM 231 CA ALA P 15 -18.579 0.464 -2.814 1.00 0.00 C ATOM 232 C ALA P 15 -18.583 1.840 -2.063 1.00 0.00 C ATOM 233 O ALA P 15 -19.005 2.809 -2.715 1.00 0.00 O ATOM 234 CB ALA P 15 -19.783 -0.329 -2.367 1.00 0.00 C ATOM 0 H ALA P 15 -17.454 -1.131 -2.103 1.00 0.00 H new ATOM 0 HA ALA P 15 -18.648 0.616 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA P 15 -20.689 0.244 -2.564 1.00 0.00 H new ATOM 0 HB2 ALA P 15 -19.822 -1.271 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA P 15 -19.708 -0.534 -1.299 1.00 0.00 H new ATOM 240 N GLU P 16 -18.191 1.905 -0.766 1.00 0.00 N ATOM 241 CA GLU P 16 -17.934 3.099 -0.061 1.00 0.00 C ATOM 242 C GLU P 16 -16.828 3.982 -0.647 1.00 0.00 C ATOM 243 O GLU P 16 -16.957 5.187 -0.886 1.00 0.00 O ATOM 244 CB GLU P 16 -17.485 2.843 1.372 1.00 0.00 C ATOM 245 CG GLU P 16 -18.296 2.391 2.590 1.00 0.00 C ATOM 246 CD GLU P 16 -19.699 2.824 2.627 1.00 0.00 C ATOM 247 OE1 GLU P 16 -20.019 3.428 3.669 1.00 0.00 O ATOM 248 OE2 GLU P 16 -20.543 2.521 1.755 1.00 0.00 O ATOM 0 H GLU P 16 -18.052 1.070 -0.196 1.00 0.00 H new ATOM 0 HA GLU P 16 -18.897 3.605 -0.128 1.00 0.00 H new ATOM 0 HB2 GLU P 16 -16.689 2.103 1.282 1.00 0.00 H new ATOM 0 HB3 GLU P 16 -17.018 3.777 1.684 1.00 0.00 H new ATOM 0 HG2 GLU P 16 -18.271 1.302 2.634 1.00 0.00 H new ATOM 0 HG3 GLU P 16 -17.800 2.758 3.488 1.00 0.00 H new ATOM 255 N LEU P 17 -15.684 3.406 -0.902 1.00 0.00 N ATOM 256 CA LEU P 17 -14.540 4.152 -1.400 1.00 0.00 C ATOM 257 C LEU P 17 -14.860 4.850 -2.732 1.00 0.00 C ATOM 258 O LEU P 17 -14.546 6.018 -2.866 1.00 0.00 O ATOM 259 CB LEU P 17 -13.408 3.209 -1.537 1.00 0.00 C ATOM 260 CG LEU P 17 -12.628 3.225 -0.229 1.00 0.00 C ATOM 261 CD1 LEU P 17 -11.742 1.982 -0.063 1.00 0.00 C ATOM 262 CD2 LEU P 17 -11.797 4.424 0.116 1.00 0.00 C ATOM 0 H LEU P 17 -15.510 2.409 -0.774 1.00 0.00 H new ATOM 0 HA LEU P 17 -14.278 4.944 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU P 17 -13.772 2.204 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU P 17 -12.766 3.501 -2.368 1.00 0.00 H new ATOM 0 HG LEU P 17 -13.462 3.252 0.472 1.00 0.00 H new ATOM 0 HD11 LEU P 17 -11.207 2.041 0.885 1.00 0.00 H new ATOM 0 HD12 LEU P 17 -12.365 1.087 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU P 17 -11.025 1.934 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU P 17 -11.312 4.266 1.079 1.00 0.00 H new ATOM 0 HD22 LEU P 17 -11.038 4.574 -0.652 1.00 0.00 H new ATOM 0 HD23 LEU P 17 -12.436 5.305 0.172 1.00 0.00 H new ATOM 274 N GLU P 18 -15.581 4.235 -3.629 1.00 0.00 N ATOM 275 CA GLU P 18 -16.057 4.837 -4.855 1.00 0.00 C ATOM 276 C GLU P 18 -17.101 5.916 -4.680 1.00 0.00 C ATOM 277 O GLU P 18 -16.970 6.993 -5.277 1.00 0.00 O ATOM 278 CB GLU P 18 -16.688 3.741 -5.740 1.00 0.00 C ATOM 279 CG GLU P 18 -15.782 2.899 -6.582 1.00 0.00 C ATOM 280 CD GLU P 18 -16.551 1.809 -7.367 1.00 0.00 C ATOM 281 OE1 GLU P 18 -17.606 2.125 -7.888 1.00 0.00 O ATOM 282 OE2 GLU P 18 -16.136 0.630 -7.303 1.00 0.00 O ATOM 0 H GLU P 18 -15.867 3.261 -3.526 1.00 0.00 H new ATOM 0 HA GLU P 18 -15.179 5.307 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU P 18 -17.253 3.073 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU P 18 -17.406 4.222 -6.404 1.00 0.00 H new ATOM 0 HG2 GLU P 18 -15.245 3.537 -7.283 1.00 0.00 H new ATOM 0 HG3 GLU P 18 -15.035 2.425 -5.945 1.00 0.00 H new ATOM 289 N GLN P 19 -18.018 5.704 -3.729 1.00 0.00 N ATOM 290 CA GLN P 19 -19.077 6.748 -3.564 1.00 0.00 C ATOM 291 C GLN P 19 -18.540 8.020 -2.857 1.00 0.00 C ATOM 292 O GLN P 19 -18.999 9.099 -3.278 1.00 0.00 O ATOM 293 CB GLN P 19 -20.184 6.053 -2.761 1.00 0.00 C ATOM 294 CG GLN P 19 -21.648 6.627 -2.871 1.00 0.00 C ATOM 295 CD GLN P 19 -22.303 6.455 -4.225 1.00 0.00 C ATOM 296 OE1 GLN P 19 -22.214 5.324 -4.739 1.00 0.00 O ATOM 297 NE2 GLN P 19 -22.773 7.526 -4.895 1.00 0.00 N ATOM 0 H GLN P 19 -18.067 4.899 -3.104 1.00 0.00 H new ATOM 0 HA GLN P 19 -19.444 7.113 -4.523 1.00 0.00 H new ATOM 0 HB2 GLN P 19 -20.211 5.007 -3.066 1.00 0.00 H new ATOM 0 HB3 GLN P 19 -19.896 6.071 -1.710 1.00 0.00 H new ATOM 0 HG2 GLN P 19 -22.270 6.141 -2.119 1.00 0.00 H new ATOM 0 HG3 GLN P 19 -21.625 7.689 -2.628 1.00 0.00 H new ATOM 0 HE21 GLN P 19 -22.828 8.433 -4.432 1.00 0.00 H new ATOM 0 HE22 GLN P 19 -23.074 7.429 -5.865 1.00 0.00 H new ATOM 306 N HIS P 20 -17.716 7.934 -1.862 1.00 0.00 N ATOM 307 CA HIS P 20 -17.108 9.156 -1.279 1.00 0.00 C ATOM 308 C HIS P 20 -15.953 9.735 -2.172 1.00 0.00 C ATOM 309 O HIS P 20 -15.624 10.893 -2.120 1.00 0.00 O ATOM 310 CB HIS P 20 -16.742 8.849 0.122 1.00 0.00 C ATOM 311 CG HIS P 20 -17.961 8.441 0.939 1.00 0.00 C ATOM 312 ND1 HIS P 20 -18.995 9.194 1.493 1.00 0.00 N ATOM 313 CD2 HIS P 20 -18.403 7.117 1.187 1.00 0.00 C ATOM 314 CE1 HIS P 20 -19.934 8.427 1.976 1.00 0.00 C ATOM 315 NE2 HIS P 20 -19.640 7.142 1.809 1.00 0.00 N ATOM 0 H HIS P 20 -17.432 7.060 -1.420 1.00 0.00 H new ATOM 0 HA HIS P 20 -17.821 9.980 -1.260 1.00 0.00 H new ATOM 0 HB2 HIS P 20 -16.005 8.046 0.139 1.00 0.00 H new ATOM 0 HB3 HIS P 20 -16.273 9.722 0.577 1.00 0.00 H new ATOM 0 HD2 HIS P 20 -17.856 6.222 0.929 1.00 0.00 H new ATOM 0 HE1 HIS P 20 -20.834 8.790 2.450 1.00 0.00 H new ATOM 0 HE2 HIS P 20 -20.208 6.340 2.082 1.00 0.00 H new ATOM 323 N PHE P 21 -15.300 8.930 -2.986 1.00 0.00 N ATOM 324 CA PHE P 21 -14.411 9.436 -4.042 1.00 0.00 C ATOM 325 C PHE P 21 -15.150 10.318 -5.080 1.00 0.00 C ATOM 326 O PHE P 21 -14.607 11.338 -5.429 1.00 0.00 O ATOM 327 CB PHE P 21 -13.754 8.147 -4.756 1.00 0.00 C ATOM 328 CG PHE P 21 -13.334 8.307 -6.149 1.00 0.00 C ATOM 329 CD1 PHE P 21 -14.254 7.992 -7.170 1.00 0.00 C ATOM 330 CD2 PHE P 21 -12.079 8.833 -6.481 1.00 0.00 C ATOM 331 CE1 PHE P 21 -13.918 8.217 -8.494 1.00 0.00 C ATOM 332 CE2 PHE P 21 -11.737 9.032 -7.873 1.00 0.00 C ATOM 333 CZ PHE P 21 -12.640 8.671 -8.838 1.00 0.00 C ATOM 0 H PHE P 21 -15.362 7.913 -2.945 1.00 0.00 H new ATOM 0 HA PHE P 21 -13.653 10.081 -3.599 1.00 0.00 H new ATOM 0 HB2 PHE P 21 -12.886 7.841 -4.172 1.00 0.00 H new ATOM 0 HB3 PHE P 21 -14.473 7.329 -4.710 1.00 0.00 H new ATOM 0 HD1 PHE P 21 -15.219 7.576 -6.920 1.00 0.00 H new ATOM 0 HD2 PHE P 21 -11.373 9.088 -5.705 1.00 0.00 H new ATOM 0 HE1 PHE P 21 -14.649 8.040 -9.269 1.00 0.00 H new ATOM 0 HE2 PHE P 21 -10.784 9.459 -8.147 1.00 0.00 H new ATOM 0 HZ PHE P 21 -12.361 8.738 -9.879 1.00 0.00 H new ATOM 343 N LEU P 22 -16.413 10.034 -5.474 1.00 0.00 N ATOM 344 CA LEU P 22 -17.244 10.992 -6.268 1.00 0.00 C ATOM 345 C LEU P 22 -17.251 12.453 -5.653 1.00 0.00 C ATOM 346 O LEU P 22 -17.482 13.460 -6.314 1.00 0.00 O ATOM 347 CB LEU P 22 -18.634 10.470 -6.401 1.00 0.00 C ATOM 348 CG LEU P 22 -18.834 9.092 -7.005 1.00 0.00 C ATOM 349 CD1 LEU P 22 -20.341 8.930 -7.110 1.00 0.00 C ATOM 350 CD2 LEU P 22 -18.287 9.027 -8.408 1.00 0.00 C ATOM 0 H LEU P 22 -16.885 9.155 -5.260 1.00 0.00 H new ATOM 0 HA LEU P 22 -16.790 11.074 -7.255 1.00 0.00 H new ATOM 0 HB2 LEU P 22 -19.083 10.465 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU P 22 -19.199 11.181 -7.003 1.00 0.00 H new ATOM 0 HG LEU P 22 -18.336 8.333 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU P 22 -20.573 7.955 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU P 22 -20.785 9.004 -6.117 1.00 0.00 H new ATOM 0 HD13 LEU P 22 -20.748 9.714 -7.749 1.00 0.00 H new ATOM 0 HD21 LEU P 22 -18.445 8.028 -8.814 1.00 0.00 H new ATOM 0 HD22 LEU P 22 -18.800 9.758 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU P 22 -17.220 9.248 -8.393 1.00 0.00 H new ATOM 362 N GLN P 23 -17.170 12.568 -4.366 1.00 0.00 N ATOM 363 CA GLN P 23 -17.098 13.772 -3.559 1.00 0.00 C ATOM 364 C GLN P 23 -15.632 14.401 -3.449 1.00 0.00 C ATOM 365 O GLN P 23 -15.459 15.552 -3.056 1.00 0.00 O ATOM 366 CB GLN P 23 -17.656 13.416 -2.175 1.00 0.00 C ATOM 367 CG GLN P 23 -18.813 12.412 -1.982 1.00 0.00 C ATOM 368 CD GLN P 23 -20.116 12.976 -2.577 1.00 0.00 C ATOM 369 OE1 GLN P 23 -20.576 14.087 -2.294 1.00 0.00 O ATOM 370 NE2 GLN P 23 -20.696 12.255 -3.507 1.00 0.00 N ATOM 0 H GLN P 23 -17.150 11.735 -3.778 1.00 0.00 H new ATOM 0 HA GLN P 23 -17.686 14.552 -4.043 1.00 0.00 H new ATOM 0 HB2 GLN P 23 -16.818 13.043 -1.587 1.00 0.00 H new ATOM 0 HB3 GLN P 23 -17.975 14.352 -1.717 1.00 0.00 H new ATOM 0 HG2 GLN P 23 -18.566 11.465 -2.463 1.00 0.00 H new ATOM 0 HG3 GLN P 23 -18.950 12.204 -0.921 1.00 0.00 H new ATOM 0 HE21 GLN P 23 -20.323 11.337 -3.747 1.00 0.00 H new ATOM 0 HE22 GLN P 23 -21.520 12.613 -3.990 1.00 0.00 H new ATOM 379 N GLY P 24 -14.583 13.617 -3.775 1.00 0.00 N ATOM 380 CA GLY P 24 -13.229 14.094 -3.926 1.00 0.00 C ATOM 381 C GLY P 24 -12.328 12.979 -4.501 1.00 0.00 C ATOM 382 O GLY P 24 -12.147 11.842 -3.999 1.00 0.00 O ATOM 0 H GLY P 24 -14.676 12.615 -3.940 1.00 0.00 H new ATOM 0 HA2 GLY P 24 -13.213 14.961 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY P 24 -12.842 14.422 -2.961 1.00 0.00 H new ATOM 386 N ARG P 25 -11.718 13.350 -5.630 1.00 0.00 N ATOM 387 CA ARG P 25 -11.031 12.437 -6.510 1.00 0.00 C ATOM 388 C ARG P 25 -9.643 12.044 -5.980 1.00 0.00 C ATOM 389 O ARG P 25 -9.023 11.152 -6.532 1.00 0.00 O ATOM 390 CB ARG P 25 -11.020 12.876 -7.955 1.00 0.00 C ATOM 391 CG ARG P 25 -12.390 12.659 -8.728 1.00 0.00 C ATOM 392 CD ARG P 25 -12.285 13.094 -10.142 1.00 0.00 C ATOM 393 NE ARG P 25 -13.280 12.501 -11.092 1.00 0.00 N ATOM 394 CZ ARG P 25 -14.632 12.604 -11.098 1.00 0.00 C ATOM 395 NH1 ARG P 25 -15.201 13.565 -10.475 1.00 0.00 N ATOM 396 NH2 ARG P 25 -15.412 11.792 -11.753 1.00 0.00 N ATOM 0 H ARG P 25 -11.695 14.317 -5.953 1.00 0.00 H new ATOM 0 HA ARG P 25 -11.625 11.523 -6.508 1.00 0.00 H new ATOM 0 HB2 ARG P 25 -10.759 13.934 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG P 25 -10.234 12.333 -8.479 1.00 0.00 H new ATOM 0 HG2 ARG P 25 -12.669 11.606 -8.689 1.00 0.00 H new ATOM 0 HG3 ARG P 25 -13.183 13.218 -8.231 1.00 0.00 H new ATOM 0 HD2 ARG P 25 -12.384 14.179 -10.175 1.00 0.00 H new ATOM 0 HD3 ARG P 25 -11.284 12.855 -10.501 1.00 0.00 H new ATOM 0 HE ARG P 25 -12.883 11.938 -11.844 1.00 0.00 H new ATOM 0 HH11 ARG P 25 -14.638 14.253 -9.975 1.00 0.00 H new ATOM 0 HH12 ARG P 25 -16.218 13.644 -10.479 1.00 0.00 H new ATOM 0 HH21 ARG P 25 -15.011 11.029 -12.299 1.00 0.00 H new ATOM 0 HH22 ARG P 25 -16.424 11.919 -11.720 1.00 0.00 H new ATOM 410 N TYR P 26 -9.148 12.758 -4.987 1.00 0.00 N ATOM 411 CA TYR P 26 -7.946 12.416 -4.128 1.00 0.00 C ATOM 412 C TYR P 26 -8.112 12.748 -2.670 1.00 0.00 C ATOM 413 O TYR P 26 -9.032 13.463 -2.233 1.00 0.00 O ATOM 414 CB TYR P 26 -6.712 13.025 -4.805 1.00 0.00 C ATOM 415 CG TYR P 26 -6.453 14.451 -4.536 1.00 0.00 C ATOM 416 CD1 TYR P 26 -7.421 15.475 -4.692 1.00 0.00 C ATOM 417 CD2 TYR P 26 -5.114 14.804 -4.157 1.00 0.00 C ATOM 418 CE1 TYR P 26 -7.007 16.805 -4.467 1.00 0.00 C ATOM 419 CE2 TYR P 26 -4.724 16.120 -4.008 1.00 0.00 C ATOM 420 CZ TYR P 26 -5.724 17.108 -4.177 1.00 0.00 C ATOM 421 OH TYR P 26 -5.435 18.402 -4.150 1.00 0.00 O ATOM 0 H TYR P 26 -9.569 13.646 -4.714 1.00 0.00 H new ATOM 0 HA TYR P 26 -7.820 11.334 -4.078 1.00 0.00 H new ATOM 0 HB2 TYR P 26 -5.836 12.455 -4.496 1.00 0.00 H new ATOM 0 HB3 TYR P 26 -6.814 12.894 -5.882 1.00 0.00 H new ATOM 0 HD1 TYR P 26 -8.438 15.245 -4.973 1.00 0.00 H new ATOM 0 HD2 TYR P 26 -4.393 14.019 -3.984 1.00 0.00 H new ATOM 0 HE1 TYR P 26 -7.735 17.600 -4.528 1.00 0.00 H new ATOM 0 HE2 TYR P 26 -3.703 16.384 -3.773 1.00 0.00 H new ATOM 0 HH TYR P 26 -4.487 18.521 -3.931 1.00 0.00 H new ATOM 431 N LEU P 27 -7.142 12.326 -1.823 1.00 0.00 N ATOM 432 CA LEU P 27 -7.040 12.428 -0.335 1.00 0.00 C ATOM 433 C LEU P 27 -6.318 13.684 0.150 1.00 0.00 C ATOM 434 O LEU P 27 -5.592 14.465 -0.508 1.00 0.00 O ATOM 435 CB LEU P 27 -6.399 11.161 0.352 1.00 0.00 C ATOM 436 CG LEU P 27 -7.047 9.811 0.168 1.00 0.00 C ATOM 437 CD1 LEU P 27 -6.233 8.712 0.690 1.00 0.00 C ATOM 438 CD2 LEU P 27 -8.461 9.902 0.601 1.00 0.00 C ATOM 0 H LEU P 27 -6.320 11.854 -2.200 1.00 0.00 H new ATOM 0 HA LEU P 27 -8.083 12.491 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU P 27 -5.371 11.082 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU P 27 -6.352 11.358 1.423 1.00 0.00 H new ATOM 0 HG LEU P 27 -7.090 9.530 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU P 27 -6.751 7.767 0.529 1.00 0.00 H new ATOM 0 HD12 LEU P 27 -5.274 8.692 0.173 1.00 0.00 H new ATOM 0 HD13 LEU P 27 -6.067 8.857 1.757 1.00 0.00 H new ATOM 0 HD21 LEU P 27 -8.944 8.933 0.474 1.00 0.00 H new ATOM 0 HD22 LEU P 27 -8.502 10.193 1.651 1.00 0.00 H new ATOM 0 HD23 LEU P 27 -8.979 10.647 -0.003 1.00 0.00 H new ATOM 450 N THR P 28 -6.682 13.872 1.383 1.00 0.00 N ATOM 451 CA THR P 28 -6.138 14.741 2.452 1.00 0.00 C ATOM 452 C THR P 28 -6.378 13.939 3.721 1.00 0.00 C ATOM 453 O THR P 28 -7.059 12.929 3.638 1.00 0.00 O ATOM 454 CB THR P 28 -6.947 16.051 2.536 1.00 0.00 C ATOM 455 OG1 THR P 28 -8.373 15.782 2.513 1.00 0.00 O ATOM 456 CG2 THR P 28 -6.667 16.848 1.276 1.00 0.00 C ATOM 0 H THR P 28 -7.485 13.354 1.740 1.00 0.00 H new ATOM 0 HA THR P 28 -5.093 15.004 2.285 1.00 0.00 H new ATOM 0 HB THR P 28 -6.669 16.570 3.453 1.00 0.00 H new ATOM 0 HG1 THR P 28 -8.859 16.609 2.313 1.00 0.00 H new ATOM 0 HG21 THR P 28 -7.226 17.783 1.305 1.00 0.00 H new ATOM 0 HG22 THR P 28 -5.601 17.065 1.212 1.00 0.00 H new ATOM 0 HG23 THR P 28 -6.973 16.270 0.404 1.00 0.00 H new ATOM 464 N ALA P 29 -5.948 14.360 4.858 1.00 0.00 N ATOM 465 CA ALA P 29 -6.262 13.642 6.158 1.00 0.00 C ATOM 466 C ALA P 29 -7.747 13.634 6.464 1.00 0.00 C ATOM 467 O ALA P 29 -8.186 12.671 7.082 1.00 0.00 O ATOM 468 CB ALA P 29 -5.462 14.122 7.289 1.00 0.00 C ATOM 0 H ALA P 29 -5.373 15.195 4.971 1.00 0.00 H new ATOM 0 HA ALA P 29 -5.966 12.604 6.006 1.00 0.00 H new ATOM 0 HB1 ALA P 29 -5.734 13.569 8.188 1.00 0.00 H new ATOM 0 HB2 ALA P 29 -4.404 13.971 7.076 1.00 0.00 H new ATOM 0 HB3 ALA P 29 -5.653 15.184 7.445 1.00 0.00 H new ATOM 474 N PRO P 30 -8.529 14.723 6.185 1.00 0.00 N ATOM 475 CA PRO P 30 -9.935 14.691 6.409 1.00 0.00 C ATOM 476 C PRO P 30 -10.661 13.710 5.564 1.00 0.00 C ATOM 477 O PRO P 30 -11.503 12.927 6.008 1.00 0.00 O ATOM 478 CB PRO P 30 -10.374 16.106 6.150 1.00 0.00 C ATOM 479 CG PRO P 30 -9.208 16.912 5.488 1.00 0.00 C ATOM 480 CD PRO P 30 -8.059 16.052 5.931 1.00 0.00 C ATOM 0 HA PRO P 30 -10.167 14.351 7.418 1.00 0.00 H new ATOM 0 HB2 PRO P 30 -11.248 16.111 5.498 1.00 0.00 H new ATOM 0 HB3 PRO P 30 -10.671 16.581 7.085 1.00 0.00 H new ATOM 0 HG2 PRO P 30 -9.298 16.971 4.403 1.00 0.00 H new ATOM 0 HG3 PRO P 30 -9.138 17.935 5.858 1.00 0.00 H new ATOM 0 HD2 PRO P 30 -7.286 16.035 5.163 1.00 0.00 H new ATOM 0 HD3 PRO P 30 -7.606 16.467 6.831 1.00 0.00 H new ATOM 488 N ARG P 31 -10.350 13.599 4.289 1.00 0.00 N ATOM 489 CA ARG P 31 -10.915 12.516 3.385 1.00 0.00 C ATOM 490 C ARG P 31 -10.457 11.092 3.876 1.00 0.00 C ATOM 491 O ARG P 31 -11.310 10.222 4.075 1.00 0.00 O ATOM 492 CB ARG P 31 -10.318 12.796 1.978 1.00 0.00 C ATOM 493 CG ARG P 31 -11.115 13.586 0.939 1.00 0.00 C ATOM 494 CD ARG P 31 -11.437 14.977 1.482 1.00 0.00 C ATOM 495 NE ARG P 31 -12.183 15.817 0.515 1.00 0.00 N ATOM 496 CZ ARG P 31 -13.404 15.599 0.120 1.00 0.00 C ATOM 497 NH1 ARG P 31 -14.237 14.831 0.744 1.00 0.00 N ATOM 498 NH2 ARG P 31 -13.768 16.234 -0.940 1.00 0.00 N ATOM 0 H ARG P 31 -9.706 14.233 3.815 1.00 0.00 H new ATOM 0 HA ARG P 31 -12.005 12.528 3.384 1.00 0.00 H new ATOM 0 HB2 ARG P 31 -9.375 13.322 2.128 1.00 0.00 H new ATOM 0 HB3 ARG P 31 -10.078 11.831 1.533 1.00 0.00 H new ATOM 0 HG2 ARG P 31 -10.543 13.670 0.015 1.00 0.00 H new ATOM 0 HG3 ARG P 31 -12.037 13.058 0.696 1.00 0.00 H new ATOM 0 HD2 ARG P 31 -12.022 14.878 2.396 1.00 0.00 H new ATOM 0 HD3 ARG P 31 -10.508 15.480 1.751 1.00 0.00 H new ATOM 0 HE ARG P 31 -11.702 16.629 0.129 1.00 0.00 H new ATOM 0 HH11 ARG P 31 -13.949 14.354 1.599 1.00 0.00 H new ATOM 0 HH12 ARG P 31 -15.182 14.702 0.381 1.00 0.00 H new ATOM 0 HH21 ARG P 31 -13.113 16.858 -1.411 1.00 0.00 H new ATOM 0 HH22 ARG P 31 -14.711 16.113 -1.309 1.00 0.00 H new ATOM 512 N LEU P 32 -9.114 10.949 4.116 1.00 0.00 N ATOM 513 CA LEU P 32 -8.566 9.652 4.598 1.00 0.00 C ATOM 514 C LEU P 32 -9.176 9.248 6.005 1.00 0.00 C ATOM 515 O LEU P 32 -9.420 8.088 6.208 1.00 0.00 O ATOM 516 CB LEU P 32 -7.089 9.804 4.540 1.00 0.00 C ATOM 517 CG LEU P 32 -6.105 8.795 5.097 1.00 0.00 C ATOM 518 CD1 LEU P 32 -5.250 8.150 4.151 1.00 0.00 C ATOM 519 CD2 LEU P 32 -5.165 9.540 6.063 1.00 0.00 C ATOM 0 H LEU P 32 -8.422 11.687 3.988 1.00 0.00 H new ATOM 0 HA LEU P 32 -8.851 8.802 3.978 1.00 0.00 H new ATOM 0 HB2 LEU P 32 -6.838 9.922 3.486 1.00 0.00 H new ATOM 0 HB3 LEU P 32 -6.862 10.751 5.030 1.00 0.00 H new ATOM 0 HG LEU P 32 -6.727 8.019 5.544 1.00 0.00 H new ATOM 0 HD11 LEU P 32 -4.593 7.452 4.671 1.00 0.00 H new ATOM 0 HD12 LEU P 32 -5.855 7.607 3.425 1.00 0.00 H new ATOM 0 HD13 LEU P 32 -4.649 8.898 3.635 1.00 0.00 H new ATOM 0 HD21 LEU P 32 -4.443 8.839 6.482 1.00 0.00 H new ATOM 0 HD22 LEU P 32 -4.637 10.326 5.523 1.00 0.00 H new ATOM 0 HD23 LEU P 32 -5.749 9.984 6.869 1.00 0.00 H new ATOM 531 N ALA P 33 -9.371 10.190 6.918 1.00 0.00 N ATOM 532 CA ALA P 33 -10.065 10.060 8.233 1.00 0.00 C ATOM 533 C ALA P 33 -11.522 9.693 7.985 1.00 0.00 C ATOM 534 O ALA P 33 -12.034 8.866 8.737 1.00 0.00 O ATOM 535 CB ALA P 33 -9.847 11.260 9.178 1.00 0.00 C ATOM 0 H ALA P 33 -9.032 11.140 6.768 1.00 0.00 H new ATOM 0 HA ALA P 33 -9.608 9.246 8.796 1.00 0.00 H new ATOM 0 HB1 ALA P 33 -10.383 11.090 10.112 1.00 0.00 H new ATOM 0 HB2 ALA P 33 -8.783 11.371 9.386 1.00 0.00 H new ATOM 0 HB3 ALA P 33 -10.221 12.168 8.705 1.00 0.00 H new ATOM 541 N ASP P 34 -12.278 10.452 7.174 1.00 0.00 N ATOM 542 CA ASP P 34 -13.725 10.262 6.981 1.00 0.00 C ATOM 543 C ASP P 34 -14.043 8.872 6.440 1.00 0.00 C ATOM 544 O ASP P 34 -14.906 8.129 6.955 1.00 0.00 O ATOM 545 CB ASP P 34 -14.121 11.389 6.109 1.00 0.00 C ATOM 546 CG ASP P 34 -15.564 11.301 5.691 1.00 0.00 C ATOM 547 OD1 ASP P 34 -16.436 11.141 6.564 1.00 0.00 O ATOM 548 OD2 ASP P 34 -15.706 11.271 4.415 1.00 0.00 O ATOM 0 H ASP P 34 -11.896 11.224 6.627 1.00 0.00 H new ATOM 0 HA ASP P 34 -14.301 10.285 7.906 1.00 0.00 H new ATOM 0 HB2 ASP P 34 -13.953 12.329 6.634 1.00 0.00 H new ATOM 0 HB3 ASP P 34 -13.487 11.401 5.222 1.00 0.00 H new ATOM 553 N LEU P 35 -13.411 8.532 5.335 1.00 0.00 N ATOM 554 CA LEU P 35 -13.749 7.350 4.587 1.00 0.00 C ATOM 555 C LEU P 35 -13.244 6.196 5.295 1.00 0.00 C ATOM 556 O LEU P 35 -13.975 5.271 5.237 1.00 0.00 O ATOM 557 CB LEU P 35 -13.251 7.450 3.167 1.00 0.00 C ATOM 558 CG LEU P 35 -13.892 6.826 1.996 1.00 0.00 C ATOM 559 CD1 LEU P 35 -15.370 6.494 2.215 1.00 0.00 C ATOM 560 CD2 LEU P 35 -13.465 7.669 0.835 1.00 0.00 C ATOM 0 H LEU P 35 -12.646 9.074 4.933 1.00 0.00 H new ATOM 0 HA LEU P 35 -14.831 7.245 4.506 1.00 0.00 H new ATOM 0 HB2 LEU P 35 -13.196 8.516 2.944 1.00 0.00 H new ATOM 0 HB3 LEU P 35 -12.228 7.074 3.183 1.00 0.00 H new ATOM 0 HG LEU P 35 -13.567 5.808 1.781 1.00 0.00 H new ATOM 0 HD11 LEU P 35 -15.778 6.038 1.313 1.00 0.00 H new ATOM 0 HD12 LEU P 35 -15.467 5.799 3.049 1.00 0.00 H new ATOM 0 HD13 LEU P 35 -15.919 7.409 2.439 1.00 0.00 H new ATOM 0 HD21 LEU P 35 -13.900 7.272 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU P 35 -13.805 8.694 0.985 1.00 0.00 H new ATOM 0 HD23 LEU P 35 -12.378 7.656 0.756 1.00 0.00 H new ATOM 572 N SER P 36 -12.116 6.206 6.003 1.00 0.00 N ATOM 573 CA SER P 36 -11.775 4.988 6.824 1.00 0.00 C ATOM 574 C SER P 36 -12.823 4.864 7.966 1.00 0.00 C ATOM 575 O SER P 36 -13.230 3.710 8.195 1.00 0.00 O ATOM 576 CB SER P 36 -10.426 5.180 7.492 1.00 0.00 C ATOM 577 OG SER P 36 -10.280 6.420 8.053 1.00 0.00 O ATOM 0 H SER P 36 -11.447 6.974 6.044 1.00 0.00 H new ATOM 0 HA SER P 36 -11.764 4.111 6.177 1.00 0.00 H new ATOM 0 HB2 SER P 36 -10.297 4.421 8.263 1.00 0.00 H new ATOM 0 HB3 SER P 36 -9.637 5.025 6.756 1.00 0.00 H new ATOM 0 HG SER P 36 -9.943 7.047 7.379 1.00 0.00 H new ATOM 583 N ALA P 37 -13.230 6.002 8.599 1.00 0.00 N ATOM 584 CA ALA P 37 -14.299 5.950 9.601 1.00 0.00 C ATOM 585 C ALA P 37 -15.668 5.416 9.056 1.00 0.00 C ATOM 586 O ALA P 37 -16.310 4.596 9.734 1.00 0.00 O ATOM 587 CB ALA P 37 -14.510 7.358 10.272 1.00 0.00 C ATOM 0 H ALA P 37 -12.840 6.930 8.431 1.00 0.00 H new ATOM 0 HA ALA P 37 -13.958 5.228 10.342 1.00 0.00 H new ATOM 0 HB1 ALA P 37 -15.308 7.293 11.011 1.00 0.00 H new ATOM 0 HB2 ALA P 37 -13.587 7.670 10.761 1.00 0.00 H new ATOM 0 HB3 ALA P 37 -14.781 8.088 9.509 1.00 0.00 H new ATOM 593 N LYS P 38 -16.096 5.746 7.827 1.00 0.00 N ATOM 594 CA LYS P 38 -17.331 5.386 7.100 1.00 0.00 C ATOM 595 C LYS P 38 -17.200 4.008 6.434 1.00 0.00 C ATOM 596 O LYS P 38 -18.091 3.190 6.741 1.00 0.00 O ATOM 597 CB LYS P 38 -17.700 6.422 6.075 1.00 0.00 C ATOM 598 CG LYS P 38 -18.568 7.518 6.712 1.00 0.00 C ATOM 599 CD LYS P 38 -19.110 8.603 5.863 1.00 0.00 C ATOM 600 CE LYS P 38 -18.090 9.337 5.028 1.00 0.00 C ATOM 601 NZ LYS P 38 -18.580 10.717 4.697 1.00 0.00 N ATOM 0 H LYS P 38 -15.513 6.347 7.244 1.00 0.00 H new ATOM 0 HA LYS P 38 -18.132 5.344 7.839 1.00 0.00 H new ATOM 0 HB2 LYS P 38 -16.797 6.863 5.653 1.00 0.00 H new ATOM 0 HB3 LYS P 38 -18.240 5.953 5.252 1.00 0.00 H new ATOM 0 HG2 LYS P 38 -19.413 7.027 7.194 1.00 0.00 H new ATOM 0 HG3 LYS P 38 -17.978 7.984 7.501 1.00 0.00 H new ATOM 0 HD2 LYS P 38 -19.863 8.180 5.198 1.00 0.00 H new ATOM 0 HD3 LYS P 38 -19.618 9.324 6.503 1.00 0.00 H new ATOM 0 HE2 LYS P 38 -17.145 9.399 5.568 1.00 0.00 H new ATOM 0 HE3 LYS P 38 -17.896 8.783 4.110 1.00 0.00 H new ATOM 0 HZ1 LYS P 38 -18.301 10.961 3.725 1.00 0.00 H new ATOM 0 HZ2 LYS P 38 -19.617 10.746 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS P 38 -18.162 11.402 5.359 1.00 0.00 H new ATOM 615 N LEU P 39 -16.038 3.606 5.907 1.00 0.00 N ATOM 616 CA LEU P 39 -15.703 2.244 5.475 1.00 0.00 C ATOM 617 C LEU P 39 -15.518 1.207 6.574 1.00 0.00 C ATOM 618 O LEU P 39 -15.800 0.021 6.323 1.00 0.00 O ATOM 619 CB LEU P 39 -14.314 2.367 4.875 1.00 0.00 C ATOM 620 CG LEU P 39 -14.137 2.720 3.333 1.00 0.00 C ATOM 621 CD1 LEU P 39 -12.688 3.213 3.288 1.00 0.00 C ATOM 622 CD2 LEU P 39 -14.424 1.391 2.633 1.00 0.00 C ATOM 0 H LEU P 39 -15.265 4.256 5.763 1.00 0.00 H new ATOM 0 HA LEU P 39 -16.526 1.910 4.843 1.00 0.00 H new ATOM 0 HB2 LEU P 39 -13.782 3.129 5.444 1.00 0.00 H new ATOM 0 HB3 LEU P 39 -13.801 1.422 5.051 1.00 0.00 H new ATOM 0 HG LEU P 39 -14.770 3.472 2.862 1.00 0.00 H new ATOM 0 HD11 LEU P 39 -12.431 3.494 2.267 1.00 0.00 H new ATOM 0 HD12 LEU P 39 -12.578 4.079 3.941 1.00 0.00 H new ATOM 0 HD13 LEU P 39 -12.023 2.418 3.624 1.00 0.00 H new ATOM 0 HD21 LEU P 39 -14.329 1.520 1.555 1.00 0.00 H new ATOM 0 HD22 LEU P 39 -13.711 0.640 2.973 1.00 0.00 H new ATOM 0 HD23 LEU P 39 -15.436 1.065 2.872 1.00 0.00 H new ATOM 634 N ALA P 40 -15.058 1.637 7.737 1.00 0.00 N ATOM 635 CA ALA P 40 -14.485 0.898 8.835 1.00 0.00 C ATOM 636 C ALA P 40 -13.176 0.230 8.423 1.00 0.00 C ATOM 637 O ALA P 40 -13.079 -0.983 8.227 1.00 0.00 O ATOM 638 CB ALA P 40 -15.572 -0.133 9.460 1.00 0.00 C ATOM 0 H ALA P 40 -15.084 2.634 7.953 1.00 0.00 H new ATOM 0 HA ALA P 40 -14.226 1.592 9.635 1.00 0.00 H new ATOM 0 HB1 ALA P 40 -15.120 -0.681 10.287 1.00 0.00 H new ATOM 0 HB2 ALA P 40 -16.436 0.424 9.823 1.00 0.00 H new ATOM 0 HB3 ALA P 40 -15.891 -0.836 8.690 1.00 0.00 H new ATOM 644 N LEU P 41 -12.191 1.009 8.219 1.00 0.00 N ATOM 645 CA LEU P 41 -10.796 0.614 7.999 1.00 0.00 C ATOM 646 C LEU P 41 -9.799 1.442 8.931 1.00 0.00 C ATOM 647 O LEU P 41 -10.190 2.320 9.688 1.00 0.00 O ATOM 648 CB LEU P 41 -10.484 0.716 6.497 1.00 0.00 C ATOM 649 CG LEU P 41 -11.235 -0.275 5.565 1.00 0.00 C ATOM 650 CD1 LEU P 41 -11.011 -0.009 4.068 1.00 0.00 C ATOM 651 CD2 LEU P 41 -10.819 -1.742 5.870 1.00 0.00 C ATOM 0 H LEU P 41 -12.311 2.022 8.193 1.00 0.00 H new ATOM 0 HA LEU P 41 -10.646 -0.424 8.294 1.00 0.00 H new ATOM 0 HB2 LEU P 41 -10.710 1.731 6.170 1.00 0.00 H new ATOM 0 HB3 LEU P 41 -9.413 0.568 6.360 1.00 0.00 H new ATOM 0 HG LEU P 41 -12.293 -0.119 5.775 1.00 0.00 H new ATOM 0 HD11 LEU P 41 -11.567 -0.741 3.481 1.00 0.00 H new ATOM 0 HD12 LEU P 41 -11.359 0.994 3.821 1.00 0.00 H new ATOM 0 HD13 LEU P 41 -9.949 -0.092 3.839 1.00 0.00 H new ATOM 0 HD21 LEU P 41 -11.357 -2.418 5.206 1.00 0.00 H new ATOM 0 HD22 LEU P 41 -9.746 -1.856 5.713 1.00 0.00 H new ATOM 0 HD23 LEU P 41 -11.062 -1.981 6.905 1.00 0.00 H new ATOM 663 N GLY P 42 -8.466 1.140 8.762 1.00 0.00 N ATOM 664 CA GLY P 42 -7.333 1.980 9.148 1.00 0.00 C ATOM 665 C GLY P 42 -7.293 3.115 8.211 1.00 0.00 C ATOM 666 O GLY P 42 -7.693 3.067 7.067 1.00 0.00 O ATOM 0 H GLY P 42 -8.168 0.264 8.334 1.00 0.00 H new ATOM 0 HA2 GLY P 42 -7.447 2.332 10.173 1.00 0.00 H new ATOM 0 HA3 GLY P 42 -6.403 1.414 9.106 1.00 0.00 H new ATOM 670 N THR P 43 -6.758 4.338 8.549 1.00 0.00 N ATOM 671 CA THR P 43 -6.631 5.425 7.560 1.00 0.00 C ATOM 672 C THR P 43 -5.659 5.094 6.446 1.00 0.00 C ATOM 673 O THR P 43 -5.936 5.431 5.248 1.00 0.00 O ATOM 674 CB THR P 43 -6.137 6.723 8.235 1.00 0.00 C ATOM 675 OG1 THR P 43 -5.125 6.520 9.228 1.00 0.00 O ATOM 676 CG2 THR P 43 -7.191 7.361 9.071 1.00 0.00 C ATOM 0 H THR P 43 -6.420 4.574 9.482 1.00 0.00 H new ATOM 0 HA THR P 43 -7.627 5.556 7.136 1.00 0.00 H new ATOM 0 HB THR P 43 -5.800 7.304 7.377 1.00 0.00 H new ATOM 0 HG1 THR P 43 -4.749 7.385 9.494 1.00 0.00 H new ATOM 0 HG21 THR P 43 -6.795 8.270 9.524 1.00 0.00 H new ATOM 0 HG22 THR P 43 -8.049 7.611 8.447 1.00 0.00 H new ATOM 0 HG23 THR P 43 -7.501 6.670 9.855 1.00 0.00 H new ATOM 684 N ALA P 44 -4.637 4.287 6.680 1.00 0.00 N ATOM 685 CA ALA P 44 -3.687 4.056 5.584 1.00 0.00 C ATOM 686 C ALA P 44 -4.322 3.239 4.428 1.00 0.00 C ATOM 687 O ALA P 44 -3.899 3.205 3.204 1.00 0.00 O ATOM 688 CB ALA P 44 -2.445 3.286 6.155 1.00 0.00 C ATOM 0 H ALA P 44 -4.442 3.804 7.557 1.00 0.00 H new ATOM 0 HA ALA P 44 -3.390 5.021 5.174 1.00 0.00 H new ATOM 0 HB1 ALA P 44 -1.729 3.106 5.354 1.00 0.00 H new ATOM 0 HB2 ALA P 44 -1.974 3.883 6.935 1.00 0.00 H new ATOM 0 HB3 ALA P 44 -2.769 2.333 6.573 1.00 0.00 H new ATOM 694 N GLN P 45 -5.403 2.484 4.715 1.00 0.00 N ATOM 695 CA GLN P 45 -6.064 1.607 3.743 1.00 0.00 C ATOM 696 C GLN P 45 -6.727 2.509 2.699 1.00 0.00 C ATOM 697 O GLN P 45 -6.634 2.185 1.480 1.00 0.00 O ATOM 698 CB GLN P 45 -7.032 0.634 4.396 1.00 0.00 C ATOM 699 CG GLN P 45 -6.452 -0.783 4.608 1.00 0.00 C ATOM 700 CD GLN P 45 -5.184 -0.645 5.453 1.00 0.00 C ATOM 701 OE1 GLN P 45 -4.044 -0.735 4.998 1.00 0.00 O ATOM 702 NE2 GLN P 45 -5.386 -0.302 6.701 1.00 0.00 N ATOM 0 H GLN P 45 -5.840 2.470 5.637 1.00 0.00 H new ATOM 0 HA GLN P 45 -5.332 0.961 3.258 1.00 0.00 H new ATOM 0 HB2 GLN P 45 -7.341 1.037 5.361 1.00 0.00 H new ATOM 0 HB3 GLN P 45 -7.928 0.560 3.780 1.00 0.00 H new ATOM 0 HG2 GLN P 45 -7.178 -1.422 5.110 1.00 0.00 H new ATOM 0 HG3 GLN P 45 -6.224 -1.250 3.650 1.00 0.00 H new ATOM 0 HE21 GLN P 45 -6.337 -0.232 7.063 1.00 0.00 H new ATOM 0 HE22 GLN P 45 -4.592 -0.105 7.311 1.00 0.00 H new ATOM 711 N VAL P 46 -7.230 3.718 3.027 1.00 0.00 N ATOM 712 CA VAL P 46 -7.803 4.740 2.055 1.00 0.00 C ATOM 713 C VAL P 46 -6.703 5.260 1.134 1.00 0.00 C ATOM 714 O VAL P 46 -6.910 5.178 -0.082 1.00 0.00 O ATOM 715 CB VAL P 46 -8.592 5.820 2.832 1.00 0.00 C ATOM 716 CG1 VAL P 46 -9.558 6.576 1.969 1.00 0.00 C ATOM 717 CG2 VAL P 46 -9.322 5.340 4.068 1.00 0.00 C ATOM 0 H VAL P 46 -7.261 4.042 3.994 1.00 0.00 H new ATOM 0 HA VAL P 46 -8.533 4.283 1.387 1.00 0.00 H new ATOM 0 HB VAL P 46 -7.794 6.482 3.170 1.00 0.00 H new ATOM 0 HG11 VAL P 46 -10.080 7.319 2.572 1.00 0.00 H new ATOM 0 HG12 VAL P 46 -9.015 7.076 1.167 1.00 0.00 H new ATOM 0 HG13 VAL P 46 -10.282 5.883 1.540 1.00 0.00 H new ATOM 0 HG21 VAL P 46 -9.840 6.179 4.533 1.00 0.00 H new ATOM 0 HG22 VAL P 46 -10.047 4.575 3.789 1.00 0.00 H new ATOM 0 HG23 VAL P 46 -8.605 4.920 4.774 1.00 0.00 H new ATOM 727 N LYS P 47 -5.581 5.623 1.720 1.00 0.00 N ATOM 728 CA LYS P 47 -4.289 5.972 1.060 1.00 0.00 C ATOM 729 C LYS P 47 -3.753 4.976 -0.015 1.00 0.00 C ATOM 730 O LYS P 47 -3.647 5.339 -1.179 1.00 0.00 O ATOM 731 CB LYS P 47 -3.361 6.322 2.194 1.00 0.00 C ATOM 732 CG LYS P 47 -2.670 7.723 1.931 1.00 0.00 C ATOM 733 CD LYS P 47 -2.029 8.371 3.173 1.00 0.00 C ATOM 734 CE LYS P 47 -1.686 7.318 4.177 1.00 0.00 C ATOM 735 NZ LYS P 47 -0.649 7.777 5.164 1.00 0.00 N ATOM 0 H LYS P 47 -5.517 5.694 2.736 1.00 0.00 H new ATOM 0 HA LYS P 47 -4.413 6.821 0.388 1.00 0.00 H new ATOM 0 HB2 LYS P 47 -3.917 6.354 3.131 1.00 0.00 H new ATOM 0 HB3 LYS P 47 -2.600 5.549 2.301 1.00 0.00 H new ATOM 0 HG2 LYS P 47 -1.902 7.596 1.168 1.00 0.00 H new ATOM 0 HG3 LYS P 47 -3.414 8.408 1.524 1.00 0.00 H new ATOM 0 HD2 LYS P 47 -1.131 8.918 2.886 1.00 0.00 H new ATOM 0 HD3 LYS P 47 -2.716 9.094 3.612 1.00 0.00 H new ATOM 0 HE2 LYS P 47 -2.588 7.025 4.713 1.00 0.00 H new ATOM 0 HE3 LYS P 47 -1.321 6.431 3.658 1.00 0.00 H new ATOM 0 HZ1 LYS P 47 -0.447 7.010 5.837 1.00 0.00 H new ATOM 0 HZ2 LYS P 47 0.223 8.032 4.658 1.00 0.00 H new ATOM 0 HZ3 LYS P 47 -1.005 8.607 5.680 1.00 0.00 H new ATOM 749 N ILE P 48 -3.756 3.678 0.287 1.00 0.00 N ATOM 750 CA ILE P 48 -3.432 2.540 -0.574 1.00 0.00 C ATOM 751 C ILE P 48 -4.558 2.436 -1.636 1.00 0.00 C ATOM 752 O ILE P 48 -4.228 2.530 -2.820 1.00 0.00 O ATOM 753 CB ILE P 48 -3.107 1.222 0.196 1.00 0.00 C ATOM 754 CG1 ILE P 48 -1.827 1.493 1.060 1.00 0.00 C ATOM 755 CG2 ILE P 48 -2.877 0.043 -0.715 1.00 0.00 C ATOM 756 CD1 ILE P 48 -1.052 0.271 1.686 1.00 0.00 C ATOM 0 H ILE P 48 -4.008 3.368 1.225 1.00 0.00 H new ATOM 0 HA ILE P 48 -2.484 2.712 -1.084 1.00 0.00 H new ATOM 0 HB ILE P 48 -3.965 0.956 0.813 1.00 0.00 H new ATOM 0 HG12 ILE P 48 -1.122 2.046 0.439 1.00 0.00 H new ATOM 0 HG13 ILE P 48 -2.116 2.153 1.878 1.00 0.00 H new ATOM 0 HG21 ILE P 48 -2.656 -0.841 -0.117 1.00 0.00 H new ATOM 0 HG22 ILE P 48 -3.772 -0.136 -1.311 1.00 0.00 H new ATOM 0 HG23 ILE P 48 -2.037 0.253 -1.377 1.00 0.00 H new ATOM 0 HD11 ILE P 48 -0.194 0.635 2.251 1.00 0.00 H new ATOM 0 HD12 ILE P 48 -1.717 -0.280 2.351 1.00 0.00 H new ATOM 0 HD13 ILE P 48 -0.708 -0.388 0.889 1.00 0.00 H new ATOM 768 N TRP P 49 -5.871 2.370 -1.230 1.00 0.00 N ATOM 769 CA TRP P 49 -6.977 2.356 -2.237 1.00 0.00 C ATOM 770 C TRP P 49 -6.776 3.405 -3.286 1.00 0.00 C ATOM 771 O TRP P 49 -6.645 3.142 -4.533 1.00 0.00 O ATOM 772 CB TRP P 49 -8.423 2.362 -1.739 1.00 0.00 C ATOM 773 CG TRP P 49 -9.463 2.243 -2.899 1.00 0.00 C ATOM 774 CD1 TRP P 49 -9.541 1.194 -3.722 1.00 0.00 C ATOM 775 CD2 TRP P 49 -10.329 3.255 -3.464 1.00 0.00 C ATOM 776 NE1 TRP P 49 -10.526 1.377 -4.655 1.00 0.00 N ATOM 777 CE2 TRP P 49 -11.023 2.740 -4.619 1.00 0.00 C ATOM 778 CE3 TRP P 49 -10.542 4.595 -3.166 1.00 0.00 C ATOM 779 CZ2 TRP P 49 -12.026 3.488 -5.325 1.00 0.00 C ATOM 780 CZ3 TRP P 49 -11.394 5.443 -3.884 1.00 0.00 C ATOM 781 CH2 TRP P 49 -12.142 4.883 -4.944 1.00 0.00 C ATOM 0 H TRP P 49 -6.174 2.328 -0.257 1.00 0.00 H new ATOM 0 HA TRP P 49 -6.876 1.354 -2.655 1.00 0.00 H new ATOM 0 HB2 TRP P 49 -8.566 1.536 -1.043 1.00 0.00 H new ATOM 0 HB3 TRP P 49 -8.608 3.282 -1.184 1.00 0.00 H new ATOM 0 HD1 TRP P 49 -8.911 0.319 -3.660 1.00 0.00 H new ATOM 0 HE1 TRP P 49 -10.865 0.654 -5.289 1.00 0.00 H new ATOM 0 HE3 TRP P 49 -10.013 5.012 -2.321 1.00 0.00 H new ATOM 0 HZ2 TRP P 49 -12.650 3.043 -6.086 1.00 0.00 H new ATOM 0 HZ3 TRP P 49 -11.477 6.491 -3.636 1.00 0.00 H new ATOM 0 HH2 TRP P 49 -12.825 5.517 -5.490 1.00 0.00 H new ATOM 792 N PHE P 50 -6.720 4.637 -2.868 1.00 0.00 N ATOM 793 CA PHE P 50 -6.756 5.724 -3.792 1.00 0.00 C ATOM 794 C PHE P 50 -5.432 5.714 -4.599 1.00 0.00 C ATOM 795 O PHE P 50 -5.520 5.779 -5.865 1.00 0.00 O ATOM 796 CB PHE P 50 -6.794 7.103 -3.132 1.00 0.00 C ATOM 797 CG PHE P 50 -8.195 7.713 -2.767 1.00 0.00 C ATOM 798 CD1 PHE P 50 -8.747 8.798 -3.442 1.00 0.00 C ATOM 799 CD2 PHE P 50 -9.048 7.153 -1.780 1.00 0.00 C ATOM 800 CE1 PHE P 50 -10.103 9.279 -3.159 1.00 0.00 C ATOM 801 CE2 PHE P 50 -10.268 7.643 -1.367 1.00 0.00 C ATOM 802 CZ PHE P 50 -10.858 8.667 -2.143 1.00 0.00 C ATOM 0 H PHE P 50 -6.649 4.910 -1.888 1.00 0.00 H new ATOM 0 HA PHE P 50 -7.661 5.583 -4.383 1.00 0.00 H new ATOM 0 HB2 PHE P 50 -6.205 7.050 -2.216 1.00 0.00 H new ATOM 0 HB3 PHE P 50 -6.288 7.804 -3.796 1.00 0.00 H new ATOM 0 HD1 PHE P 50 -8.159 9.300 -4.196 1.00 0.00 H new ATOM 0 HD2 PHE P 50 -8.705 6.247 -1.302 1.00 0.00 H new ATOM 0 HE1 PHE P 50 -10.519 10.098 -3.727 1.00 0.00 H new ATOM 0 HE2 PHE P 50 -10.755 7.259 -0.483 1.00 0.00 H new ATOM 0 HZ PHE P 50 -11.876 8.975 -1.958 1.00 0.00 H new ATOM 812 N LYS P 51 -4.259 5.664 -3.945 1.00 0.00 N ATOM 813 CA LYS P 51 -2.957 5.648 -4.666 1.00 0.00 C ATOM 814 C LYS P 51 -2.933 4.604 -5.770 1.00 0.00 C ATOM 815 O LYS P 51 -2.743 4.912 -6.950 1.00 0.00 O ATOM 816 CB LYS P 51 -1.896 5.480 -3.498 1.00 0.00 C ATOM 817 CG LYS P 51 -0.523 5.576 -4.151 1.00 0.00 C ATOM 818 CD LYS P 51 0.318 4.354 -4.329 1.00 0.00 C ATOM 819 CE LYS P 51 0.788 3.756 -2.916 1.00 0.00 C ATOM 820 NZ LYS P 51 1.845 4.519 -2.283 1.00 0.00 N ATOM 0 H LYS P 51 -4.176 5.634 -2.929 1.00 0.00 H new ATOM 0 HA LYS P 51 -2.737 6.551 -5.236 1.00 0.00 H new ATOM 0 HB2 LYS P 51 -2.023 6.256 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS P 51 -2.021 4.522 -2.994 1.00 0.00 H new ATOM 0 HG2 LYS P 51 -0.666 6.015 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS P 51 0.062 6.287 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS P 51 -0.246 3.599 -4.876 1.00 0.00 H new ATOM 0 HD3 LYS P 51 1.193 4.597 -4.932 1.00 0.00 H new ATOM 0 HE2 LYS P 51 -0.070 3.715 -2.245 1.00 0.00 H new ATOM 0 HE3 LYS P 51 1.129 2.731 -3.061 1.00 0.00 H new ATOM 0 HZ1 LYS P 51 2.098 4.076 -1.377 1.00 0.00 H new ATOM 0 HZ2 LYS P 51 2.679 4.538 -2.904 1.00 0.00 H new ATOM 0 HZ3 LYS P 51 1.518 5.491 -2.114 1.00 0.00 H new