USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 675 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 : A 0 THR N :NH3+ -116:sc= 0.058 (180deg=-0.0705) USER MOD Single : A 0 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.884 (180deg=-1.29) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= 0.54 F(o=0,f=0.54) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc=-0.00605 USER MOD Single : A 21 TYR OH : rot 95:sc= 0.0694 USER MOD Single : A 29 THR OG1 : rot 104:sc= 1.03 USER MOD Single : A 36 SER OG : rot 79:sc= 0.497 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.443 USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= 1.07 (180deg=0.908) USER MOD Single : A 57 HIS : no HD1:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -115:sc= 0.291 (180deg=-0.0306) USER MOD Single : A 63 ASN : amide:sc= 0.25 K(o=0.25,f=-0.28) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.102 F(o=-0.98,f=-0.1) USER MOD Single : A 73 MET CE :methyl -177:sc= -0.182 (180deg=-0.193) USER MOD Single : A 75 THR OG1 : rot 160:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.309 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 0 4.132 -7.496 -13.857 1.00 0.00 N ATOM 181 CA THR A 0 4.347 -6.115 -14.277 1.00 0.00 C ATOM 182 C THR A 0 5.847 -5.815 -14.254 1.00 0.00 C ATOM 183 O THR A 0 6.589 -6.397 -13.453 1.00 0.00 O ATOM 184 CB THR A 0 3.559 -5.119 -13.359 1.00 0.00 C ATOM 185 OG1 THR A 0 3.904 -5.329 -11.973 1.00 0.00 O ATOM 186 CG2 THR A 0 2.030 -5.264 -13.542 1.00 0.00 C ATOM 0 H1 THR A 0 3.723 -8.039 -14.644 1.00 0.00 H new ATOM 0 H2 THR A 0 5.040 -7.920 -13.579 1.00 0.00 H new ATOM 0 H3 THR A 0 3.479 -7.515 -13.048 1.00 0.00 H new ATOM 0 HA THR A 0 3.970 -5.984 -15.291 1.00 0.00 H new ATOM 0 HB THR A 0 3.844 -4.109 -13.654 1.00 0.00 H new ATOM 0 HG1 THR A 0 3.405 -4.699 -11.413 1.00 0.00 H new ATOM 0 HG21 THR A 0 1.517 -4.558 -12.889 1.00 0.00 H new ATOM 0 HG22 THR A 0 1.766 -5.057 -14.579 1.00 0.00 H new ATOM 0 HG23 THR A 0 1.728 -6.280 -13.286 1.00 0.00 H new ATOM 194 N MET A 1 6.290 -4.933 -15.153 1.00 0.00 N ATOM 195 CA MET A 1 7.692 -4.521 -15.259 1.00 0.00 C ATOM 196 C MET A 1 7.803 -3.001 -15.105 1.00 0.00 C ATOM 197 O MET A 1 6.901 -2.256 -15.525 1.00 0.00 O ATOM 198 CB MET A 1 8.287 -4.975 -16.614 1.00 0.00 C ATOM 199 CG MET A 1 7.655 -4.367 -17.869 1.00 0.00 C ATOM 200 SD MET A 1 8.474 -4.952 -19.363 1.00 0.00 S ATOM 201 CE MET A 1 7.504 -4.156 -20.630 1.00 0.00 C ATOM 0 H MET A 1 5.680 -4.481 -15.834 1.00 0.00 H new ATOM 0 HA MET A 1 8.261 -4.996 -14.460 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.351 -4.738 -16.617 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.202 -6.060 -16.679 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.597 -4.625 -17.907 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.717 -3.280 -17.820 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.685 -4.644 -21.587 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.446 -4.230 -20.379 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.787 -3.106 -20.699 1.00 0.00 H new ATOM 211 N GLU A 2 8.908 -2.554 -14.494 1.00 0.00 N ATOM 212 CA GLU A 2 9.178 -1.129 -14.272 1.00 0.00 C ATOM 213 C GLU A 2 9.937 -0.557 -15.469 1.00 0.00 C ATOM 214 O GLU A 2 10.888 -1.178 -15.955 1.00 0.00 O ATOM 215 CB GLU A 2 10.000 -0.928 -12.986 1.00 0.00 C ATOM 216 CG GLU A 2 10.246 0.547 -12.611 1.00 0.00 C ATOM 217 CD GLU A 2 11.157 0.698 -11.392 1.00 0.00 C ATOM 218 OE1 GLU A 2 10.675 0.510 -10.252 1.00 0.00 O ATOM 219 OE2 GLU A 2 12.365 0.961 -11.563 1.00 0.00 O ATOM 0 H GLU A 2 9.639 -3.171 -14.140 1.00 0.00 H new ATOM 0 HA GLU A 2 8.228 -0.606 -14.161 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.486 -1.419 -12.160 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.963 -1.426 -13.103 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.692 1.065 -13.460 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.291 1.031 -12.409 1.00 0.00 H new ATOM 226 N LEU A 3 9.516 0.628 -15.934 1.00 0.00 N ATOM 227 CA LEU A 3 10.087 1.278 -17.121 1.00 0.00 C ATOM 228 C LEU A 3 10.347 2.763 -16.815 1.00 0.00 C ATOM 229 O LEU A 3 9.474 3.439 -16.262 1.00 0.00 O ATOM 230 CB LEU A 3 9.100 1.140 -18.313 1.00 0.00 C ATOM 231 CG LEU A 3 8.601 -0.305 -18.625 1.00 0.00 C ATOM 232 CD1 LEU A 3 7.378 -0.287 -19.557 1.00 0.00 C ATOM 233 CD2 LEU A 3 9.742 -1.169 -19.202 1.00 0.00 C ATOM 0 H LEU A 3 8.767 1.164 -15.495 1.00 0.00 H new ATOM 0 HA LEU A 3 11.030 0.799 -17.386 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.231 1.768 -18.114 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.582 1.537 -19.206 1.00 0.00 H new ATOM 0 HG LEU A 3 8.284 -0.760 -17.687 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.056 -1.309 -19.754 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.566 0.264 -19.082 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.644 0.197 -20.497 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.369 -2.172 -19.411 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.109 -0.718 -20.124 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.555 -1.228 -18.479 1.00 0.00 H new ATOM 245 N GLU A 4 11.533 3.261 -17.179 1.00 0.00 N ATOM 246 CA GLU A 4 11.894 4.669 -17.008 1.00 0.00 C ATOM 247 C GLU A 4 11.468 5.454 -18.248 1.00 0.00 C ATOM 248 O GLU A 4 12.060 5.309 -19.319 1.00 0.00 O ATOM 249 CB GLU A 4 13.413 4.841 -16.764 1.00 0.00 C ATOM 250 CG GLU A 4 13.860 6.311 -16.603 1.00 0.00 C ATOM 251 CD GLU A 4 15.321 6.477 -16.169 1.00 0.00 C ATOM 252 OE1 GLU A 4 16.216 5.882 -16.811 1.00 0.00 O ATOM 253 OE2 GLU A 4 15.588 7.198 -15.189 1.00 0.00 O ATOM 0 H GLU A 4 12.270 2.697 -17.601 1.00 0.00 H new ATOM 0 HA GLU A 4 11.375 5.053 -16.130 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.692 4.287 -15.868 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.957 4.395 -17.597 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.712 6.830 -17.550 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.217 6.797 -15.869 1.00 0.00 H new ATOM 260 N LEU A 5 10.421 6.266 -18.103 1.00 0.00 N ATOM 261 CA LEU A 5 9.895 7.062 -19.207 1.00 0.00 C ATOM 262 C LEU A 5 10.517 8.455 -19.153 1.00 0.00 C ATOM 263 O LEU A 5 10.172 9.284 -18.304 1.00 0.00 O ATOM 264 CB LEU A 5 8.357 7.106 -19.150 1.00 0.00 C ATOM 265 CG LEU A 5 7.655 5.731 -18.942 1.00 0.00 C ATOM 266 CD1 LEU A 5 6.137 5.899 -18.986 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.137 4.664 -19.959 1.00 0.00 C ATOM 0 H LEU A 5 9.919 6.389 -17.224 1.00 0.00 H new ATOM 0 HA LEU A 5 10.161 6.607 -20.161 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.060 7.772 -18.340 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.989 7.546 -20.077 1.00 0.00 H new ATOM 0 HG LEU A 5 7.935 5.363 -17.955 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.659 4.930 -18.839 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.823 6.582 -18.196 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.844 6.305 -19.954 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.619 3.723 -19.773 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.921 5.003 -20.972 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.211 4.514 -19.848 1.00 0.00 H new ATOM 279 N ARG A 6 11.469 8.669 -20.055 1.00 0.00 N ATOM 280 CA ARG A 6 12.214 9.917 -20.169 1.00 0.00 C ATOM 281 C ARG A 6 11.500 10.830 -21.176 1.00 0.00 C ATOM 282 O ARG A 6 11.340 10.472 -22.330 1.00 0.00 O ATOM 283 CB ARG A 6 13.662 9.614 -20.628 1.00 0.00 C ATOM 284 CG ARG A 6 14.444 8.653 -19.700 1.00 0.00 C ATOM 285 CD ARG A 6 15.819 8.284 -20.279 1.00 0.00 C ATOM 286 NE ARG A 6 16.610 7.440 -19.370 1.00 0.00 N ATOM 287 CZ ARG A 6 17.930 7.222 -19.467 1.00 0.00 C ATOM 288 NH1 ARG A 6 18.652 7.796 -20.429 1.00 0.00 N ATOM 289 NH2 ARG A 6 18.525 6.434 -18.586 1.00 0.00 N ATOM 0 H ARG A 6 11.749 7.967 -20.740 1.00 0.00 H new ATOM 0 HA ARG A 6 12.259 10.422 -19.204 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.629 9.185 -21.629 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.210 10.553 -20.701 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.575 9.119 -18.723 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.861 7.745 -19.544 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.682 7.762 -21.226 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.374 9.197 -20.496 1.00 0.00 H new ATOM 0 HE ARG A 6 16.115 6.984 -18.604 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.202 8.412 -21.106 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.655 7.619 -20.488 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.980 5.999 -17.842 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.528 6.262 -18.651 1.00 0.00 H new ATOM 303 N PHE A 7 11.044 11.991 -20.707 1.00 0.00 N ATOM 304 CA PHE A 7 10.346 12.994 -21.535 1.00 0.00 C ATOM 305 C PHE A 7 11.283 14.163 -21.805 1.00 0.00 C ATOM 306 O PHE A 7 12.041 14.568 -20.918 1.00 0.00 O ATOM 307 CB PHE A 7 9.067 13.483 -20.822 1.00 0.00 C ATOM 308 CG PHE A 7 8.081 12.364 -20.534 1.00 0.00 C ATOM 309 CD1 PHE A 7 7.106 12.007 -21.463 1.00 0.00 C ATOM 310 CD2 PHE A 7 8.151 11.649 -19.348 1.00 0.00 C ATOM 311 CE1 PHE A 7 6.239 10.963 -21.213 1.00 0.00 C ATOM 312 CE2 PHE A 7 7.282 10.616 -19.100 1.00 0.00 C ATOM 313 CZ PHE A 7 6.327 10.271 -20.028 1.00 0.00 C ATOM 0 H PHE A 7 11.146 12.272 -19.732 1.00 0.00 H new ATOM 0 HA PHE A 7 10.055 12.540 -22.482 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.343 13.966 -19.885 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.580 14.238 -21.439 1.00 0.00 H new ATOM 0 HD1 PHE A 7 7.028 12.554 -22.391 1.00 0.00 H new ATOM 0 HD2 PHE A 7 8.897 11.908 -18.611 1.00 0.00 H new ATOM 0 HE1 PHE A 7 5.494 10.690 -21.946 1.00 0.00 H new ATOM 0 HE2 PHE A 7 7.348 10.070 -18.170 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.647 9.457 -19.826 1.00 0.00 H new ATOM 323 N PHE A 8 11.256 14.684 -23.038 1.00 0.00 N ATOM 324 CA PHE A 8 12.091 15.834 -23.450 1.00 0.00 C ATOM 325 C PHE A 8 11.228 16.852 -24.212 1.00 0.00 C ATOM 326 O PHE A 8 10.162 16.504 -24.732 1.00 0.00 O ATOM 327 CB PHE A 8 13.309 15.359 -24.294 1.00 0.00 C ATOM 328 CG PHE A 8 14.162 14.307 -23.567 1.00 0.00 C ATOM 329 CD1 PHE A 8 15.067 14.675 -22.573 1.00 0.00 C ATOM 330 CD2 PHE A 8 14.009 12.950 -23.840 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.789 13.720 -21.877 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.735 12.000 -23.158 1.00 0.00 C ATOM 333 CZ PHE A 8 15.628 12.382 -22.173 1.00 0.00 C ATOM 0 H PHE A 8 10.658 14.325 -23.782 1.00 0.00 H new ATOM 0 HA PHE A 8 12.492 16.324 -22.563 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.952 14.943 -25.236 1.00 0.00 H new ATOM 0 HB3 PHE A 8 13.932 16.219 -24.540 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.207 15.721 -22.342 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.308 12.638 -24.600 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.478 14.023 -21.102 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.607 10.954 -23.393 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.197 11.636 -21.638 1.00 0.00 H new ATOM 343 N ALA A 9 11.676 18.120 -24.185 1.00 0.00 N ATOM 344 CA ALA A 9 11.029 19.259 -24.872 1.00 0.00 C ATOM 345 C ALA A 9 9.585 19.519 -24.343 1.00 0.00 C ATOM 346 O ALA A 9 9.399 19.631 -23.123 1.00 0.00 O ATOM 347 CB ALA A 9 11.115 19.079 -26.391 1.00 0.00 C ATOM 0 H ALA A 9 12.517 18.390 -23.674 1.00 0.00 H new ATOM 0 HA ALA A 9 11.576 20.171 -24.634 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.635 19.924 -26.885 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.161 19.028 -26.693 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.610 18.157 -26.677 1.00 0.00 H new ATOM 353 N THR A 10 8.574 19.619 -25.249 1.00 0.00 N ATOM 354 CA THR A 10 7.165 19.879 -24.882 1.00 0.00 C ATOM 355 C THR A 10 6.593 18.744 -24.006 1.00 0.00 C ATOM 356 O THR A 10 5.915 19.001 -23.009 1.00 0.00 O ATOM 357 CB THR A 10 6.286 20.060 -26.165 1.00 0.00 C ATOM 358 OG1 THR A 10 6.862 21.071 -27.005 1.00 0.00 O ATOM 359 CG2 THR A 10 4.834 20.446 -25.841 1.00 0.00 C ATOM 0 H THR A 10 8.719 19.521 -26.254 1.00 0.00 H new ATOM 0 HA THR A 10 7.141 20.802 -24.302 1.00 0.00 H new ATOM 0 HB THR A 10 6.265 19.097 -26.675 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.312 21.182 -27.808 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.272 20.558 -26.768 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.377 19.666 -25.232 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.822 21.388 -25.293 1.00 0.00 H new ATOM 367 N PHE A 11 6.924 17.489 -24.366 1.00 0.00 N ATOM 368 CA PHE A 11 6.455 16.287 -23.641 1.00 0.00 C ATOM 369 C PHE A 11 6.990 16.260 -22.185 1.00 0.00 C ATOM 370 O PHE A 11 6.368 15.665 -21.299 1.00 0.00 O ATOM 371 CB PHE A 11 6.860 14.990 -24.419 1.00 0.00 C ATOM 372 CG PHE A 11 6.066 14.687 -25.710 1.00 0.00 C ATOM 373 CD1 PHE A 11 5.139 15.590 -26.248 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.238 13.467 -26.373 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.422 15.277 -27.392 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.521 13.165 -27.521 1.00 0.00 C ATOM 377 CZ PHE A 11 4.614 14.067 -28.026 1.00 0.00 C ATOM 0 H PHE A 11 7.522 17.278 -25.165 1.00 0.00 H new ATOM 0 HA PHE A 11 5.367 16.327 -23.584 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.917 15.062 -24.677 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.754 14.140 -23.745 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.981 16.543 -25.765 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.942 12.747 -25.983 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.709 15.984 -27.789 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.675 12.219 -28.020 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.053 13.828 -28.917 1.00 0.00 H new ATOM 387 N ARG A 12 8.136 16.941 -21.955 1.00 0.00 N ATOM 388 CA ARG A 12 8.799 16.999 -20.631 1.00 0.00 C ATOM 389 C ARG A 12 8.002 17.865 -19.650 1.00 0.00 C ATOM 390 O ARG A 12 7.661 17.426 -18.549 1.00 0.00 O ATOM 391 CB ARG A 12 10.253 17.520 -20.804 1.00 0.00 C ATOM 392 CG ARG A 12 11.176 17.461 -19.554 1.00 0.00 C ATOM 393 CD ARG A 12 11.169 18.734 -18.693 1.00 0.00 C ATOM 394 NE ARG A 12 11.507 19.919 -19.494 1.00 0.00 N ATOM 395 CZ ARG A 12 11.016 21.153 -19.317 1.00 0.00 C ATOM 396 NH1 ARG A 12 10.194 21.424 -18.317 1.00 0.00 N ATOM 397 NH2 ARG A 12 11.365 22.118 -20.147 1.00 0.00 N ATOM 0 H ARG A 12 8.627 17.465 -22.680 1.00 0.00 H new ATOM 0 HA ARG A 12 8.836 15.996 -20.206 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.726 16.947 -21.602 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.204 18.555 -21.141 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.873 16.617 -18.934 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.197 17.265 -19.881 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.186 18.865 -18.241 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.883 18.628 -17.876 1.00 0.00 H new ATOM 0 HE ARG A 12 12.176 19.790 -20.253 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.924 20.688 -17.665 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.830 22.369 -18.198 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.005 21.922 -20.917 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.995 23.060 -20.018 1.00 0.00 H new ATOM 411 N GLU A 13 7.708 19.100 -20.083 1.00 0.00 N ATOM 412 CA GLU A 13 7.007 20.118 -19.261 1.00 0.00 C ATOM 413 C GLU A 13 5.518 19.769 -19.054 1.00 0.00 C ATOM 414 O GLU A 13 4.902 20.221 -18.080 1.00 0.00 O ATOM 415 CB GLU A 13 7.188 21.522 -19.906 1.00 0.00 C ATOM 416 CG GLU A 13 6.851 21.574 -21.405 1.00 0.00 C ATOM 417 CD GLU A 13 7.211 22.899 -22.087 1.00 0.00 C ATOM 418 OE1 GLU A 13 8.416 23.161 -22.293 1.00 0.00 O ATOM 419 OE2 GLU A 13 6.295 23.673 -22.448 1.00 0.00 O ATOM 0 H GLU A 13 7.948 19.430 -21.018 1.00 0.00 H new ATOM 0 HA GLU A 13 7.455 20.129 -18.267 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.556 22.236 -19.378 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.220 21.844 -19.765 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.375 20.764 -21.912 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.784 21.392 -21.532 1.00 0.00 H new ATOM 426 N VAL A 14 4.958 18.958 -19.968 1.00 0.00 N ATOM 427 CA VAL A 14 3.612 18.361 -19.813 1.00 0.00 C ATOM 428 C VAL A 14 3.546 17.459 -18.560 1.00 0.00 C ATOM 429 O VAL A 14 2.617 17.552 -17.740 1.00 0.00 O ATOM 430 CB VAL A 14 3.225 17.534 -21.098 1.00 0.00 C ATOM 431 CG1 VAL A 14 2.059 16.564 -20.826 1.00 0.00 C ATOM 432 CG2 VAL A 14 2.895 18.473 -22.290 1.00 0.00 C ATOM 0 H VAL A 14 5.423 18.695 -20.837 1.00 0.00 H new ATOM 0 HA VAL A 14 2.896 19.174 -19.687 1.00 0.00 H new ATOM 0 HB VAL A 14 4.094 16.934 -21.367 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.824 16.014 -21.737 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.344 15.863 -20.042 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.183 17.129 -20.507 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.632 17.875 -23.162 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.056 19.117 -22.025 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.765 19.088 -22.521 1.00 0.00 H new ATOM 442 N VAL A 15 4.545 16.585 -18.442 1.00 0.00 N ATOM 443 CA VAL A 15 4.681 15.649 -17.316 1.00 0.00 C ATOM 444 C VAL A 15 5.278 16.371 -16.087 1.00 0.00 C ATOM 445 O VAL A 15 5.078 15.948 -14.939 1.00 0.00 O ATOM 446 CB VAL A 15 5.559 14.414 -17.767 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.796 13.392 -16.627 1.00 0.00 C ATOM 448 CG2 VAL A 15 4.900 13.722 -18.988 1.00 0.00 C ATOM 0 H VAL A 15 5.293 16.503 -19.131 1.00 0.00 H new ATOM 0 HA VAL A 15 3.700 15.276 -17.021 1.00 0.00 H new ATOM 0 HB VAL A 15 6.540 14.799 -18.044 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.405 12.568 -16.998 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.312 13.881 -15.801 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.838 13.007 -16.278 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.508 12.871 -19.296 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.903 13.376 -18.716 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.825 14.432 -19.812 1.00 0.00 H new ATOM 458 N GLY A 16 5.974 17.498 -16.349 1.00 0.00 N ATOM 459 CA GLY A 16 6.703 18.244 -15.320 1.00 0.00 C ATOM 460 C GLY A 16 7.971 17.524 -14.861 1.00 0.00 C ATOM 461 O GLY A 16 8.583 17.904 -13.861 1.00 0.00 O ATOM 0 H GLY A 16 6.042 17.909 -17.280 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.968 19.227 -15.708 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.050 18.405 -14.462 1.00 0.00 H new ATOM 465 N GLN A 17 8.365 16.487 -15.623 1.00 0.00 N ATOM 466 CA GLN A 17 9.483 15.581 -15.298 1.00 0.00 C ATOM 467 C GLN A 17 10.209 15.199 -16.593 1.00 0.00 C ATOM 468 O GLN A 17 9.559 15.021 -17.636 1.00 0.00 O ATOM 469 CB GLN A 17 8.956 14.283 -14.616 1.00 0.00 C ATOM 470 CG GLN A 17 8.339 14.460 -13.218 1.00 0.00 C ATOM 471 CD GLN A 17 9.379 14.796 -12.144 1.00 0.00 C ATOM 472 OE1 GLN A 17 9.926 13.769 -11.509 1.00 0.00 O flip ATOM 473 NE2 GLN A 17 9.685 15.961 -11.884 1.00 0.00 N flip ATOM 0 H GLN A 17 7.905 16.250 -16.502 1.00 0.00 H new ATOM 0 HA GLN A 17 10.161 16.091 -14.614 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.208 13.832 -15.267 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.781 13.575 -14.540 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.592 15.253 -13.254 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.818 13.544 -12.938 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.245 16.729 -12.391 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.378 16.157 -11.162 1.00 0.00 H new ATOM 482 N LYS A 18 11.547 15.059 -16.523 1.00 0.00 N ATOM 483 CA LYS A 18 12.366 14.650 -17.681 1.00 0.00 C ATOM 484 C LYS A 18 12.614 13.136 -17.695 1.00 0.00 C ATOM 485 O LYS A 18 13.009 12.594 -18.725 1.00 0.00 O ATOM 486 CB LYS A 18 13.708 15.420 -17.725 1.00 0.00 C ATOM 487 CG LYS A 18 14.678 15.136 -16.556 1.00 0.00 C ATOM 488 CD LYS A 18 16.020 15.880 -16.723 1.00 0.00 C ATOM 489 CE LYS A 18 16.754 15.492 -18.025 1.00 0.00 C ATOM 490 NZ LYS A 18 18.074 16.155 -18.154 1.00 0.00 N ATOM 0 H LYS A 18 12.086 15.224 -15.673 1.00 0.00 H new ATOM 0 HA LYS A 18 11.798 14.904 -18.576 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.214 15.180 -18.660 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.493 16.488 -17.744 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.212 15.436 -15.617 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.864 14.064 -16.492 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.839 16.955 -16.719 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.661 15.661 -15.869 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.890 14.411 -18.053 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.133 15.757 -18.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.525 15.861 -19.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.945 17.187 -18.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.679 15.883 -17.353 1.00 0.00 H new ATOM 504 N SER A 19 12.422 12.479 -16.540 1.00 0.00 N ATOM 505 CA SER A 19 12.496 11.013 -16.406 1.00 0.00 C ATOM 506 C SER A 19 11.641 10.584 -15.195 1.00 0.00 C ATOM 507 O SER A 19 11.797 11.135 -14.095 1.00 0.00 O ATOM 508 CB SER A 19 13.960 10.526 -16.203 1.00 0.00 C ATOM 509 OG SER A 19 14.869 11.126 -17.117 1.00 0.00 O ATOM 0 H SER A 19 12.209 12.954 -15.663 1.00 0.00 H new ATOM 0 HA SER A 19 12.121 10.563 -17.325 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.275 10.750 -15.184 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.998 9.443 -16.318 1.00 0.00 H new ATOM 0 HG SER A 19 15.774 10.789 -16.948 1.00 0.00 H new ATOM 515 N ILE A 20 10.732 9.625 -15.405 1.00 0.00 N ATOM 516 CA ILE A 20 9.903 9.024 -14.337 1.00 0.00 C ATOM 517 C ILE A 20 10.102 7.508 -14.343 1.00 0.00 C ATOM 518 O ILE A 20 10.711 6.967 -15.266 1.00 0.00 O ATOM 519 CB ILE A 20 8.367 9.346 -14.535 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.827 8.680 -15.836 1.00 0.00 C ATOM 521 CG2 ILE A 20 8.117 10.866 -14.565 1.00 0.00 C ATOM 522 CD1 ILE A 20 6.368 8.985 -16.151 1.00 0.00 C ATOM 0 H ILE A 20 10.544 9.236 -16.329 1.00 0.00 H new ATOM 0 HA ILE A 20 10.217 9.451 -13.385 1.00 0.00 H new ATOM 0 HB ILE A 20 7.827 8.931 -13.684 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.441 9.005 -16.676 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.948 7.600 -15.752 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.053 11.057 -14.702 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.447 11.308 -13.625 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.675 11.310 -15.389 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.081 8.479 -17.073 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.738 8.634 -15.334 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.239 10.061 -16.272 1.00 0.00 H new ATOM 534 N TYR A 21 9.588 6.831 -13.314 1.00 0.00 N ATOM 535 CA TYR A 21 9.477 5.367 -13.302 1.00 0.00 C ATOM 536 C TYR A 21 7.991 4.987 -13.208 1.00 0.00 C ATOM 537 O TYR A 21 7.324 5.247 -12.199 1.00 0.00 O ATOM 538 CB TYR A 21 10.294 4.748 -12.132 1.00 0.00 C ATOM 539 CG TYR A 21 11.820 4.862 -12.311 1.00 0.00 C ATOM 540 CD1 TYR A 21 12.529 3.923 -13.069 1.00 0.00 C ATOM 541 CD2 TYR A 21 12.547 5.906 -11.728 1.00 0.00 C ATOM 542 CE1 TYR A 21 13.893 4.019 -13.232 1.00 0.00 C ATOM 543 CE2 TYR A 21 13.918 6.003 -11.896 1.00 0.00 C ATOM 544 CZ TYR A 21 14.583 5.053 -12.645 1.00 0.00 C ATOM 545 OH TYR A 21 15.949 5.137 -12.815 1.00 0.00 O ATOM 0 H TYR A 21 9.237 7.278 -12.467 1.00 0.00 H new ATOM 0 HA TYR A 21 9.896 4.964 -14.224 1.00 0.00 H new ATOM 0 HB2 TYR A 21 10.009 5.240 -11.202 1.00 0.00 H new ATOM 0 HB3 TYR A 21 10.027 3.696 -12.031 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.996 3.107 -13.535 1.00 0.00 H new ATOM 0 HD2 TYR A 21 12.030 6.648 -11.137 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.420 3.283 -13.820 1.00 0.00 H new ATOM 0 HE2 TYR A 21 14.464 6.817 -11.444 1.00 0.00 H new ATOM 0 HH TYR A 21 16.149 5.732 -13.568 1.00 0.00 H new ATOM 555 N TRP A 22 7.498 4.399 -14.299 1.00 0.00 N ATOM 556 CA TRP A 22 6.159 3.800 -14.402 1.00 0.00 C ATOM 557 C TRP A 22 6.272 2.291 -14.162 1.00 0.00 C ATOM 558 O TRP A 22 7.374 1.755 -13.964 1.00 0.00 O ATOM 559 CB TRP A 22 5.563 4.072 -15.822 1.00 0.00 C ATOM 560 CG TRP A 22 4.496 5.142 -15.919 1.00 0.00 C ATOM 561 CD1 TRP A 22 4.408 6.326 -15.243 1.00 0.00 C ATOM 562 CD2 TRP A 22 3.372 5.106 -16.800 1.00 0.00 C ATOM 563 NE1 TRP A 22 3.311 7.039 -15.684 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.655 6.301 -16.636 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.917 4.164 -17.714 1.00 0.00 C ATOM 566 CZ2 TRP A 22 1.503 6.578 -17.377 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.780 4.431 -18.434 1.00 0.00 C ATOM 568 CH2 TRP A 22 1.085 5.631 -18.266 1.00 0.00 C ATOM 0 H TRP A 22 8.033 4.322 -15.164 1.00 0.00 H new ATOM 0 HA TRP A 22 5.499 4.242 -13.656 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.381 4.347 -16.487 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.144 3.139 -16.200 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.095 6.655 -14.477 1.00 0.00 H new ATOM 0 HE1 TRP A 22 3.034 7.964 -15.355 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.450 3.236 -17.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.964 7.506 -17.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.416 3.701 -19.142 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.197 5.813 -18.853 1.00 0.00 H new ATOM 579 N ARG A 23 5.123 1.613 -14.219 1.00 0.00 N ATOM 580 CA ARG A 23 5.055 0.157 -14.107 1.00 0.00 C ATOM 581 C ARG A 23 3.759 -0.327 -14.764 1.00 0.00 C ATOM 582 O ARG A 23 2.660 -0.118 -14.235 1.00 0.00 O ATOM 583 CB ARG A 23 5.154 -0.249 -12.612 1.00 0.00 C ATOM 584 CG ARG A 23 5.168 -1.769 -12.327 1.00 0.00 C ATOM 585 CD ARG A 23 5.733 -2.080 -10.925 1.00 0.00 C ATOM 586 NE ARG A 23 5.100 -1.255 -9.880 1.00 0.00 N ATOM 587 CZ ARG A 23 5.614 -0.970 -8.672 1.00 0.00 C ATOM 588 NH1 ARG A 23 6.786 -1.462 -8.290 1.00 0.00 N ATOM 589 NH2 ARG A 23 4.942 -0.174 -7.852 1.00 0.00 N ATOM 0 H ARG A 23 4.215 2.060 -14.344 1.00 0.00 H new ATOM 0 HA ARG A 23 5.889 -0.317 -14.625 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.062 0.188 -12.196 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.313 0.194 -12.078 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.155 -2.164 -12.407 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.769 -2.276 -13.082 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.579 -3.135 -10.698 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.809 -1.907 -10.921 1.00 0.00 H new ATOM 0 HE ARG A 23 4.183 -0.863 -10.095 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.314 -2.068 -8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.159 -1.234 -7.369 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.044 0.215 -8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.323 0.049 -6.932 1.00 0.00 H new ATOM 603 N VAL A 24 3.917 -0.929 -15.949 1.00 0.00 N ATOM 604 CA VAL A 24 2.823 -1.524 -16.732 1.00 0.00 C ATOM 605 C VAL A 24 3.043 -3.041 -16.796 1.00 0.00 C ATOM 606 O VAL A 24 4.021 -3.540 -16.243 1.00 0.00 O ATOM 607 CB VAL A 24 2.744 -0.913 -18.193 1.00 0.00 C ATOM 608 CG1 VAL A 24 2.544 0.622 -18.156 1.00 0.00 C ATOM 609 CG2 VAL A 24 3.978 -1.297 -19.052 1.00 0.00 C ATOM 0 H VAL A 24 4.827 -1.019 -16.401 1.00 0.00 H new ATOM 0 HA VAL A 24 1.875 -1.299 -16.244 1.00 0.00 H new ATOM 0 HB VAL A 24 1.869 -1.351 -18.672 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.494 1.007 -19.174 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.616 0.856 -17.634 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.381 1.085 -17.633 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.881 -0.857 -20.045 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.884 -0.922 -18.575 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.037 -2.382 -19.140 1.00 0.00 H new ATOM 619 N ASP A 25 2.137 -3.757 -17.474 1.00 0.00 N ATOM 620 CA ASP A 25 2.223 -5.224 -17.653 1.00 0.00 C ATOM 621 C ASP A 25 3.539 -5.634 -18.364 1.00 0.00 C ATOM 622 O ASP A 25 4.075 -4.873 -19.179 1.00 0.00 O ATOM 623 CB ASP A 25 0.985 -5.705 -18.445 1.00 0.00 C ATOM 624 CG ASP A 25 0.930 -7.227 -18.629 1.00 0.00 C ATOM 625 OD1 ASP A 25 0.666 -7.935 -17.640 1.00 0.00 O ATOM 626 OD2 ASP A 25 1.168 -7.724 -19.750 1.00 0.00 O ATOM 0 H ASP A 25 1.319 -3.340 -17.918 1.00 0.00 H new ATOM 0 HA ASP A 25 2.235 -5.703 -16.674 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.083 -5.377 -17.929 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.983 -5.228 -19.425 1.00 0.00 H new ATOM 631 N ASP A 26 4.039 -6.851 -18.053 1.00 0.00 N ATOM 632 CA ASP A 26 5.363 -7.323 -18.513 1.00 0.00 C ATOM 633 C ASP A 26 5.370 -7.618 -20.026 1.00 0.00 C ATOM 634 O ASP A 26 6.437 -7.663 -20.650 1.00 0.00 O ATOM 635 CB ASP A 26 5.825 -8.567 -17.700 1.00 0.00 C ATOM 636 CG ASP A 26 5.120 -9.887 -18.091 1.00 0.00 C ATOM 637 OD1 ASP A 26 3.947 -10.094 -17.714 1.00 0.00 O ATOM 638 OD2 ASP A 26 5.739 -10.722 -18.785 1.00 0.00 O ATOM 0 H ASP A 26 3.539 -7.530 -17.479 1.00 0.00 H new ATOM 0 HA ASP A 26 6.075 -6.517 -18.335 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.900 -8.692 -17.830 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.652 -8.378 -16.641 1.00 0.00 H new ATOM 643 N ASP A 27 4.168 -7.835 -20.592 1.00 0.00 N ATOM 644 CA ASP A 27 3.984 -8.062 -22.040 1.00 0.00 C ATOM 645 C ASP A 27 3.732 -6.725 -22.776 1.00 0.00 C ATOM 646 O ASP A 27 4.005 -6.621 -23.982 1.00 0.00 O ATOM 647 CB ASP A 27 2.793 -9.043 -22.264 1.00 0.00 C ATOM 648 CG ASP A 27 2.550 -9.408 -23.741 1.00 0.00 C ATOM 649 OD1 ASP A 27 3.246 -10.309 -24.263 1.00 0.00 O ATOM 650 OD2 ASP A 27 1.669 -8.798 -24.397 1.00 0.00 O ATOM 0 H ASP A 27 3.298 -7.858 -20.060 1.00 0.00 H new ATOM 0 HA ASP A 27 4.893 -8.503 -22.449 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.978 -9.957 -21.700 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.886 -8.596 -21.857 1.00 0.00 H new ATOM 655 N ALA A 28 3.231 -5.700 -22.045 1.00 0.00 N ATOM 656 CA ALA A 28 2.888 -4.392 -22.643 1.00 0.00 C ATOM 657 C ALA A 28 4.160 -3.664 -23.095 1.00 0.00 C ATOM 658 O ALA A 28 5.082 -3.465 -22.309 1.00 0.00 O ATOM 659 CB ALA A 28 2.098 -3.531 -21.643 1.00 0.00 C ATOM 0 H ALA A 28 3.057 -5.756 -21.042 1.00 0.00 H new ATOM 0 HA ALA A 28 2.259 -4.564 -23.516 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.855 -2.572 -22.101 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.177 -4.046 -21.368 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.701 -3.364 -20.751 1.00 0.00 H new ATOM 665 N THR A 29 4.170 -3.224 -24.354 1.00 0.00 N ATOM 666 CA THR A 29 5.357 -2.655 -25.004 1.00 0.00 C ATOM 667 C THR A 29 5.221 -1.128 -25.174 1.00 0.00 C ATOM 668 O THR A 29 4.264 -0.541 -24.676 1.00 0.00 O ATOM 669 CB THR A 29 5.612 -3.381 -26.364 1.00 0.00 C ATOM 670 OG1 THR A 29 4.379 -3.521 -27.093 1.00 0.00 O ATOM 671 CG2 THR A 29 6.251 -4.773 -26.160 1.00 0.00 C ATOM 0 H THR A 29 3.349 -3.252 -24.958 1.00 0.00 H new ATOM 0 HA THR A 29 6.226 -2.818 -24.367 1.00 0.00 H new ATOM 0 HB THR A 29 6.309 -2.767 -26.934 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.349 -2.859 -27.815 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.412 -5.245 -27.129 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.206 -4.663 -25.647 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.586 -5.394 -25.560 1.00 0.00 H new ATOM 679 N VAL A 30 6.207 -0.496 -25.864 1.00 0.00 N ATOM 680 CA VAL A 30 6.318 0.987 -25.999 1.00 0.00 C ATOM 681 C VAL A 30 5.002 1.630 -26.497 1.00 0.00 C ATOM 682 O VAL A 30 4.605 2.689 -26.012 1.00 0.00 O ATOM 683 CB VAL A 30 7.523 1.373 -26.952 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.571 2.890 -27.278 1.00 0.00 C ATOM 685 CG2 VAL A 30 8.873 0.908 -26.355 1.00 0.00 C ATOM 0 H VAL A 30 6.952 -1.000 -26.345 1.00 0.00 H new ATOM 0 HA VAL A 30 6.514 1.386 -25.004 1.00 0.00 H new ATOM 0 HB VAL A 30 7.351 0.849 -27.892 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.417 3.095 -27.934 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.647 3.185 -27.775 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.683 3.457 -26.354 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.684 1.185 -27.029 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.026 1.385 -25.387 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.861 -0.175 -26.228 1.00 0.00 H new ATOM 695 N GLY A 31 4.327 0.937 -27.423 1.00 0.00 N ATOM 696 CA GLY A 31 3.037 1.376 -27.965 1.00 0.00 C ATOM 697 C GLY A 31 1.924 1.411 -26.920 1.00 0.00 C ATOM 698 O GLY A 31 1.134 2.354 -26.879 1.00 0.00 O ATOM 0 H GLY A 31 4.660 0.057 -27.817 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.152 2.370 -28.397 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.745 0.708 -28.775 1.00 0.00 H new ATOM 702 N ASP A 32 1.877 0.373 -26.070 1.00 0.00 N ATOM 703 CA ASP A 32 0.908 0.271 -24.955 1.00 0.00 C ATOM 704 C ASP A 32 1.217 1.309 -23.860 1.00 0.00 C ATOM 705 O ASP A 32 0.306 1.777 -23.163 1.00 0.00 O ATOM 706 CB ASP A 32 0.926 -1.153 -24.350 1.00 0.00 C ATOM 707 CG ASP A 32 0.628 -2.244 -25.387 1.00 0.00 C ATOM 708 OD1 ASP A 32 -0.563 -2.569 -25.601 1.00 0.00 O ATOM 709 OD2 ASP A 32 1.585 -2.771 -26.003 1.00 0.00 O ATOM 0 H ASP A 32 2.510 -0.424 -26.133 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.085 0.474 -25.355 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.902 -1.340 -23.903 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.191 -1.211 -23.547 1.00 0.00 H new ATOM 714 N VAL A 33 2.515 1.645 -23.722 1.00 0.00 N ATOM 715 CA VAL A 33 2.992 2.669 -22.781 1.00 0.00 C ATOM 716 C VAL A 33 2.453 4.055 -23.176 1.00 0.00 C ATOM 717 O VAL A 33 1.680 4.634 -22.410 1.00 0.00 O ATOM 718 CB VAL A 33 4.574 2.654 -22.702 1.00 0.00 C ATOM 719 CG1 VAL A 33 5.153 3.888 -21.976 1.00 0.00 C ATOM 720 CG2 VAL A 33 5.064 1.352 -22.025 1.00 0.00 C ATOM 0 H VAL A 33 3.262 1.210 -24.264 1.00 0.00 H new ATOM 0 HA VAL A 33 2.611 2.440 -21.786 1.00 0.00 H new ATOM 0 HB VAL A 33 4.941 2.694 -23.728 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.241 3.820 -21.954 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.857 4.794 -22.505 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.771 3.922 -20.956 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.153 1.354 -21.977 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.656 1.291 -21.016 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.728 0.492 -22.604 1.00 0.00 H new ATOM 730 N LEU A 34 2.780 4.545 -24.397 1.00 0.00 N ATOM 731 CA LEU A 34 2.314 5.875 -24.870 1.00 0.00 C ATOM 732 C LEU A 34 0.774 5.916 -25.006 1.00 0.00 C ATOM 733 O LEU A 34 0.155 6.960 -24.784 1.00 0.00 O ATOM 734 CB LEU A 34 3.080 6.361 -26.154 1.00 0.00 C ATOM 735 CG LEU A 34 3.347 5.333 -27.304 1.00 0.00 C ATOM 736 CD1 LEU A 34 2.114 5.103 -28.188 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.569 5.755 -28.160 1.00 0.00 C ATOM 0 H LEU A 34 3.361 4.044 -25.069 1.00 0.00 H new ATOM 0 HA LEU A 34 2.569 6.606 -24.103 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.519 7.193 -26.578 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.044 6.757 -25.834 1.00 0.00 H new ATOM 0 HG LEU A 34 3.574 4.381 -26.823 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.355 4.382 -28.969 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.296 4.718 -27.579 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.813 6.046 -28.645 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.730 5.022 -28.951 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.382 6.733 -28.604 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.455 5.807 -27.528 1.00 0.00 H new ATOM 749 N ARG A 35 0.160 4.763 -25.314 1.00 0.00 N ATOM 750 CA ARG A 35 -1.312 4.593 -25.266 1.00 0.00 C ATOM 751 C ARG A 35 -1.869 5.006 -23.882 1.00 0.00 C ATOM 752 O ARG A 35 -2.860 5.727 -23.784 1.00 0.00 O ATOM 753 CB ARG A 35 -1.685 3.119 -25.648 1.00 0.00 C ATOM 754 CG ARG A 35 -3.066 2.582 -25.188 1.00 0.00 C ATOM 755 CD ARG A 35 -4.252 3.488 -25.568 1.00 0.00 C ATOM 756 NE ARG A 35 -5.529 2.956 -25.053 1.00 0.00 N ATOM 757 CZ ARG A 35 -6.345 3.580 -24.178 1.00 0.00 C ATOM 758 NH1 ARG A 35 -6.047 4.784 -23.699 1.00 0.00 N ATOM 759 NH2 ARG A 35 -7.455 2.985 -23.781 1.00 0.00 N ATOM 0 H ARG A 35 0.661 3.923 -25.603 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.779 5.253 -25.997 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.636 3.031 -26.733 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.917 2.462 -25.240 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.223 1.595 -25.623 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.052 2.455 -24.106 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.088 4.489 -25.170 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.307 3.581 -26.653 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.820 2.037 -25.387 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.189 5.252 -23.992 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.676 5.240 -23.038 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.692 2.058 -24.136 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.076 3.452 -23.120 1.00 0.00 H new ATOM 773 N SER A 36 -1.232 4.533 -22.831 1.00 0.00 N ATOM 774 CA SER A 36 -1.630 4.826 -21.453 1.00 0.00 C ATOM 775 C SER A 36 -1.243 6.273 -21.036 1.00 0.00 C ATOM 776 O SER A 36 -1.929 6.885 -20.222 1.00 0.00 O ATOM 777 CB SER A 36 -1.079 3.758 -20.520 1.00 0.00 C ATOM 778 OG SER A 36 -1.519 2.466 -20.908 1.00 0.00 O ATOM 0 H SER A 36 -0.414 3.927 -22.901 1.00 0.00 H new ATOM 0 HA SER A 36 -2.717 4.791 -21.379 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.010 3.792 -20.526 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.398 3.963 -19.498 1.00 0.00 H new ATOM 0 HG SER A 36 -0.984 2.153 -21.667 1.00 0.00 H new ATOM 784 N LEU A 37 -0.111 6.794 -21.572 1.00 0.00 N ATOM 785 CA LEU A 37 0.361 8.182 -21.292 1.00 0.00 C ATOM 786 C LEU A 37 -0.679 9.253 -21.680 1.00 0.00 C ATOM 787 O LEU A 37 -0.767 10.280 -21.014 1.00 0.00 O ATOM 788 CB LEU A 37 1.734 8.488 -21.987 1.00 0.00 C ATOM 789 CG LEU A 37 3.021 8.212 -21.151 1.00 0.00 C ATOM 790 CD1 LEU A 37 3.024 9.024 -19.841 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.201 6.725 -20.881 1.00 0.00 C ATOM 0 H LEU A 37 0.498 6.274 -22.204 1.00 0.00 H new ATOM 0 HA LEU A 37 0.502 8.232 -20.212 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.790 7.899 -22.902 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.739 9.537 -22.282 1.00 0.00 H new ATOM 0 HG LEU A 37 3.873 8.542 -21.745 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.934 8.809 -19.282 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.983 10.088 -20.073 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.156 8.750 -19.241 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.107 6.568 -20.296 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.342 6.349 -20.326 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.283 6.191 -21.827 1.00 0.00 H new ATOM 803 N GLU A 38 -1.439 9.035 -22.766 1.00 0.00 N ATOM 804 CA GLU A 38 -2.515 9.974 -23.169 1.00 0.00 C ATOM 805 C GLU A 38 -3.773 9.781 -22.317 1.00 0.00 C ATOM 806 O GLU A 38 -4.564 10.711 -22.140 1.00 0.00 O ATOM 807 CB GLU A 38 -2.813 9.864 -24.684 1.00 0.00 C ATOM 808 CG GLU A 38 -3.205 8.468 -25.237 1.00 0.00 C ATOM 809 CD GLU A 38 -4.721 8.175 -25.211 1.00 0.00 C ATOM 810 OE1 GLU A 38 -5.447 8.718 -26.068 1.00 0.00 O ATOM 811 OE2 GLU A 38 -5.189 7.410 -24.344 1.00 0.00 O ATOM 0 H GLU A 38 -1.335 8.227 -23.379 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.162 10.989 -22.985 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.620 10.558 -24.919 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.931 10.205 -25.226 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.848 8.384 -26.264 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.689 7.703 -24.657 1.00 0.00 H new ATOM 818 N ALA A 39 -3.930 8.561 -21.789 1.00 0.00 N ATOM 819 CA ALA A 39 -5.022 8.205 -20.868 1.00 0.00 C ATOM 820 C ALA A 39 -4.829 8.858 -19.481 1.00 0.00 C ATOM 821 O ALA A 39 -5.766 8.911 -18.680 1.00 0.00 O ATOM 822 CB ALA A 39 -5.118 6.677 -20.754 1.00 0.00 C ATOM 0 H ALA A 39 -3.299 7.785 -21.989 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.958 8.590 -21.271 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.926 6.413 -20.072 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.319 6.251 -21.737 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.177 6.281 -20.372 1.00 0.00 H new ATOM 828 N GLU A 40 -3.604 9.339 -19.207 1.00 0.00 N ATOM 829 CA GLU A 40 -3.289 10.112 -17.993 1.00 0.00 C ATOM 830 C GLU A 40 -3.236 11.608 -18.318 1.00 0.00 C ATOM 831 O GLU A 40 -3.980 12.413 -17.757 1.00 0.00 O ATOM 832 CB GLU A 40 -1.916 9.692 -17.423 1.00 0.00 C ATOM 833 CG GLU A 40 -1.740 8.200 -17.166 1.00 0.00 C ATOM 834 CD GLU A 40 -2.759 7.613 -16.171 1.00 0.00 C ATOM 835 OE1 GLU A 40 -2.634 7.880 -14.955 1.00 0.00 O ATOM 836 OE2 GLU A 40 -3.700 6.909 -16.597 1.00 0.00 O ATOM 0 H GLU A 40 -2.802 9.202 -19.823 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.070 9.914 -17.259 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.140 10.018 -18.116 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.752 10.226 -16.487 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.823 7.666 -18.113 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.733 8.023 -16.787 1.00 0.00 H new ATOM 843 N TYR A 41 -2.328 11.946 -19.242 1.00 0.00 N ATOM 844 CA TYR A 41 -1.945 13.325 -19.546 1.00 0.00 C ATOM 845 C TYR A 41 -2.737 13.855 -20.753 1.00 0.00 C ATOM 846 O TYR A 41 -2.650 13.293 -21.853 1.00 0.00 O ATOM 847 CB TYR A 41 -0.421 13.400 -19.835 1.00 0.00 C ATOM 848 CG TYR A 41 0.479 13.022 -18.638 1.00 0.00 C ATOM 849 CD1 TYR A 41 0.901 13.981 -17.714 1.00 0.00 C ATOM 850 CD2 TYR A 41 0.897 11.704 -18.443 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.708 13.640 -16.645 1.00 0.00 C ATOM 852 CE2 TYR A 41 1.705 11.358 -17.374 1.00 0.00 C ATOM 853 CZ TYR A 41 2.106 12.327 -16.478 1.00 0.00 C ATOM 854 OH TYR A 41 2.911 11.990 -15.404 1.00 0.00 O ATOM 0 H TYR A 41 -1.833 11.256 -19.807 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.177 13.947 -18.682 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.190 12.739 -20.670 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.174 14.413 -20.153 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.591 15.008 -17.837 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.584 10.940 -19.139 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.026 14.396 -15.943 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.020 10.334 -17.242 1.00 0.00 H new ATOM 0 HH TYR A 41 3.102 11.029 -15.427 1.00 0.00 H new ATOM 864 N ASP A 42 -3.514 14.931 -20.537 1.00 0.00 N ATOM 865 CA ASP A 42 -4.184 15.672 -21.632 1.00 0.00 C ATOM 866 C ASP A 42 -3.147 16.378 -22.521 1.00 0.00 C ATOM 867 O ASP A 42 -3.362 16.557 -23.722 1.00 0.00 O ATOM 868 CB ASP A 42 -5.173 16.721 -21.074 1.00 0.00 C ATOM 869 CG ASP A 42 -6.377 16.102 -20.351 1.00 0.00 C ATOM 870 OD1 ASP A 42 -6.271 15.804 -19.145 1.00 0.00 O ATOM 871 OD2 ASP A 42 -7.447 15.919 -20.984 1.00 0.00 O ATOM 0 H ASP A 42 -3.697 15.313 -19.609 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.738 14.945 -22.226 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.643 17.378 -20.384 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.532 17.343 -21.894 1.00 0.00 H new ATOM 876 N GLY A 43 -2.015 16.765 -21.909 1.00 0.00 N ATOM 877 CA GLY A 43 -0.921 17.420 -22.625 1.00 0.00 C ATOM 878 C GLY A 43 -0.142 16.480 -23.544 1.00 0.00 C ATOM 879 O GLY A 43 0.676 16.946 -24.338 1.00 0.00 O ATOM 0 H GLY A 43 -1.839 16.632 -20.913 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.326 18.241 -23.217 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.234 17.858 -21.900 1.00 0.00 H new ATOM 883 N LEU A 44 -0.361 15.156 -23.409 1.00 0.00 N ATOM 884 CA LEU A 44 0.222 14.139 -24.314 1.00 0.00 C ATOM 885 C LEU A 44 -0.862 13.504 -25.202 1.00 0.00 C ATOM 886 O LEU A 44 -0.543 12.681 -26.052 1.00 0.00 O ATOM 887 CB LEU A 44 0.942 13.032 -23.504 1.00 0.00 C ATOM 888 CG LEU A 44 2.173 13.471 -22.663 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.763 12.297 -21.858 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.249 14.128 -23.547 1.00 0.00 C ATOM 0 H LEU A 44 -0.945 14.761 -22.672 1.00 0.00 H new ATOM 0 HA LEU A 44 0.948 14.644 -24.952 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.216 12.576 -22.831 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.264 12.257 -24.199 1.00 0.00 H new ATOM 0 HG LEU A 44 1.824 14.216 -21.948 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.622 12.645 -21.284 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.006 11.905 -21.178 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.079 11.509 -22.542 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.097 14.424 -22.929 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.582 13.417 -24.304 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.831 15.008 -24.035 1.00 0.00 H new ATOM 902 N ALA A 45 -2.121 13.937 -25.029 1.00 0.00 N ATOM 903 CA ALA A 45 -3.289 13.326 -25.691 1.00 0.00 C ATOM 904 C ALA A 45 -3.215 13.430 -27.234 1.00 0.00 C ATOM 905 O ALA A 45 -3.093 14.533 -27.773 1.00 0.00 O ATOM 906 CB ALA A 45 -4.568 13.989 -25.170 1.00 0.00 C ATOM 0 H ALA A 45 -2.360 14.723 -24.425 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.295 12.263 -25.450 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.434 13.541 -25.656 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.641 13.843 -24.092 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.540 15.056 -25.390 1.00 0.00 H new ATOM 912 N GLY A 46 -3.237 12.263 -27.921 1.00 0.00 N ATOM 913 CA GLY A 46 -3.338 12.189 -29.392 1.00 0.00 C ATOM 914 C GLY A 46 -2.032 12.447 -30.165 1.00 0.00 C ATOM 915 O GLY A 46 -1.877 11.994 -31.298 1.00 0.00 O ATOM 0 H GLY A 46 -3.185 11.350 -27.469 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.710 11.201 -29.663 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.084 12.912 -29.723 1.00 0.00 H new ATOM 919 N ARG A 47 -1.086 13.150 -29.536 1.00 0.00 N ATOM 920 CA ARG A 47 0.184 13.612 -30.171 1.00 0.00 C ATOM 921 C ARG A 47 1.324 12.583 -29.993 1.00 0.00 C ATOM 922 O ARG A 47 2.482 12.859 -30.326 1.00 0.00 O ATOM 923 CB ARG A 47 0.578 14.992 -29.570 1.00 0.00 C ATOM 924 CG ARG A 47 0.537 15.029 -28.027 1.00 0.00 C ATOM 925 CD ARG A 47 0.751 16.421 -27.425 1.00 0.00 C ATOM 926 NE ARG A 47 -0.016 17.479 -28.132 1.00 0.00 N ATOM 927 CZ ARG A 47 -0.789 18.415 -27.555 1.00 0.00 C ATOM 928 NH1 ARG A 47 -0.903 18.496 -26.236 1.00 0.00 N ATOM 929 NH2 ARG A 47 -1.439 19.278 -28.317 1.00 0.00 N ATOM 0 H ARG A 47 -1.167 13.426 -28.557 1.00 0.00 H new ATOM 0 HA ARG A 47 0.022 13.714 -31.244 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.582 15.251 -29.905 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.095 15.755 -29.961 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.426 14.645 -27.691 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.302 14.356 -27.638 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.458 16.407 -26.375 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.813 16.666 -27.456 1.00 0.00 H new ATOM 0 HE ARG A 47 0.050 17.497 -29.150 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.399 17.840 -25.639 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.495 19.214 -25.818 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.351 19.229 -29.332 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.028 19.992 -27.890 1.00 0.00 H new ATOM 943 N LEU A 48 0.964 11.383 -29.520 1.00 0.00 N ATOM 944 CA LEU A 48 1.908 10.285 -29.228 1.00 0.00 C ATOM 945 C LEU A 48 1.438 8.964 -29.883 1.00 0.00 C ATOM 946 O LEU A 48 2.135 7.952 -29.806 1.00 0.00 O ATOM 947 CB LEU A 48 2.094 10.137 -27.681 1.00 0.00 C ATOM 948 CG LEU A 48 0.954 9.475 -26.824 1.00 0.00 C ATOM 949 CD1 LEU A 48 1.138 9.795 -25.320 1.00 0.00 C ATOM 950 CD2 LEU A 48 -0.472 9.832 -27.296 1.00 0.00 C ATOM 0 H LEU A 48 -0.007 11.139 -29.325 1.00 0.00 H new ATOM 0 HA LEU A 48 2.879 10.526 -29.661 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.004 9.560 -27.515 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.270 11.134 -27.276 1.00 0.00 H new ATOM 0 HG LEU A 48 1.054 8.400 -26.975 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.337 9.326 -24.748 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.100 9.410 -24.981 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.106 10.874 -25.171 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.202 9.337 -26.655 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.614 10.911 -27.242 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.609 9.500 -28.325 1.00 0.00 H new ATOM 962 N ILE A 49 0.219 8.993 -30.485 1.00 0.00 N ATOM 963 CA ILE A 49 -0.339 7.897 -31.314 1.00 0.00 C ATOM 964 C ILE A 49 -0.879 8.509 -32.620 1.00 0.00 C ATOM 965 O ILE A 49 -1.614 9.505 -32.580 1.00 0.00 O ATOM 966 CB ILE A 49 -1.506 7.099 -30.610 1.00 0.00 C ATOM 967 CG1 ILE A 49 -0.992 6.338 -29.354 1.00 0.00 C ATOM 968 CG2 ILE A 49 -2.201 6.102 -31.596 1.00 0.00 C ATOM 969 CD1 ILE A 49 -2.061 5.561 -28.607 1.00 0.00 C ATOM 0 H ILE A 49 -0.411 9.791 -30.405 1.00 0.00 H new ATOM 0 HA ILE A 49 0.467 7.184 -31.491 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.246 7.834 -30.292 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.206 5.648 -29.660 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.538 7.056 -28.671 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.998 5.572 -31.075 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.621 6.655 -32.436 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.468 5.384 -31.964 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.614 5.062 -27.747 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.837 6.246 -28.266 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.500 4.816 -29.271 1.00 0.00 H new ATOM 981 N GLU A 50 -0.501 7.928 -33.769 1.00 0.00 N ATOM 982 CA GLU A 50 -1.104 8.261 -35.072 1.00 0.00 C ATOM 983 C GLU A 50 -1.328 6.987 -35.885 1.00 0.00 C ATOM 984 O GLU A 50 -0.401 6.213 -36.055 1.00 0.00 O ATOM 985 CB GLU A 50 -0.215 9.229 -35.881 1.00 0.00 C ATOM 986 CG GLU A 50 -0.878 9.801 -37.155 1.00 0.00 C ATOM 987 CD GLU A 50 -2.110 10.668 -36.843 1.00 0.00 C ATOM 988 OE1 GLU A 50 -1.929 11.858 -36.510 1.00 0.00 O ATOM 989 OE2 GLU A 50 -3.253 10.162 -36.887 1.00 0.00 O ATOM 0 H GLU A 50 0.228 7.217 -33.823 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.057 8.753 -34.876 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.077 10.058 -35.236 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.700 8.709 -36.166 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.148 10.397 -37.703 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.173 8.979 -37.807 1.00 0.00 H new ATOM 996 N ASP A 51 -2.572 6.776 -36.350 1.00 0.00 N ATOM 997 CA ASP A 51 -2.945 5.695 -37.301 1.00 0.00 C ATOM 998 C ASP A 51 -2.520 4.286 -36.791 1.00 0.00 C ATOM 999 O ASP A 51 -2.227 3.376 -37.574 1.00 0.00 O ATOM 1000 CB ASP A 51 -2.347 6.023 -38.712 1.00 0.00 C ATOM 1001 CG ASP A 51 -2.978 5.218 -39.864 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -4.196 5.363 -40.101 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -2.261 4.453 -40.551 1.00 0.00 O ATOM 0 H ASP A 51 -3.364 7.357 -36.076 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.031 5.657 -37.381 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.477 7.087 -38.912 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.274 5.831 -38.694 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.518 4.117 -35.457 1.00 0.00 N ATOM 1009 CA GLY A 52 -2.165 2.845 -34.808 1.00 0.00 C ATOM 1010 C GLY A 52 -0.666 2.639 -34.578 1.00 0.00 C ATOM 1011 O GLY A 52 -0.287 1.724 -33.849 1.00 0.00 O ATOM 0 H GLY A 52 -2.761 4.859 -34.800 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.677 2.788 -33.848 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.541 2.024 -35.419 1.00 0.00 H new ATOM 1015 N GLU A 53 0.176 3.465 -35.223 1.00 0.00 N ATOM 1016 CA GLU A 53 1.641 3.506 -34.981 1.00 0.00 C ATOM 1017 C GLU A 53 1.962 4.686 -34.043 1.00 0.00 C ATOM 1018 O GLU A 53 1.035 5.367 -33.570 1.00 0.00 O ATOM 1019 CB GLU A 53 2.406 3.618 -36.320 1.00 0.00 C ATOM 1020 CG GLU A 53 1.957 4.779 -37.212 1.00 0.00 C ATOM 1021 CD GLU A 53 2.684 4.849 -38.559 1.00 0.00 C ATOM 1022 OE1 GLU A 53 2.265 4.155 -39.507 1.00 0.00 O ATOM 1023 OE2 GLU A 53 3.688 5.584 -38.673 1.00 0.00 O ATOM 0 H GLU A 53 -0.136 4.129 -35.932 1.00 0.00 H new ATOM 0 HA GLU A 53 1.964 2.582 -34.502 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.469 3.729 -36.108 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.287 2.685 -36.871 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.886 4.691 -37.393 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.114 5.716 -36.677 1.00 0.00 H new ATOM 1030 N VAL A 54 3.264 4.925 -33.755 1.00 0.00 N ATOM 1031 CA VAL A 54 3.669 5.938 -32.754 1.00 0.00 C ATOM 1032 C VAL A 54 3.274 7.383 -33.181 1.00 0.00 C ATOM 1033 O VAL A 54 2.468 7.973 -32.499 1.00 0.00 O ATOM 1034 CB VAL A 54 5.208 5.846 -32.408 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.517 4.547 -31.621 1.00 0.00 C ATOM 1036 CG2 VAL A 54 6.101 5.938 -33.672 1.00 0.00 C ATOM 0 H VAL A 54 4.043 4.436 -34.196 1.00 0.00 H new ATOM 0 HA VAL A 54 3.113 5.708 -31.845 1.00 0.00 H new ATOM 0 HB VAL A 54 5.445 6.705 -31.780 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.582 4.504 -31.393 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.947 4.540 -30.692 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.240 3.682 -32.223 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.150 5.870 -33.382 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.858 5.120 -34.350 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.924 6.889 -34.174 1.00 0.00 H new ATOM 1046 N LYS A 55 3.730 7.860 -34.371 1.00 0.00 N ATOM 1047 CA LYS A 55 3.453 9.237 -34.903 1.00 0.00 C ATOM 1048 C LYS A 55 4.571 9.637 -35.889 1.00 0.00 C ATOM 1049 O LYS A 55 5.756 9.453 -35.580 1.00 0.00 O ATOM 1050 CB LYS A 55 3.343 10.338 -33.784 1.00 0.00 C ATOM 1051 CG LYS A 55 3.187 11.818 -34.226 1.00 0.00 C ATOM 1052 CD LYS A 55 1.751 12.189 -34.656 1.00 0.00 C ATOM 1053 CE LYS A 55 0.718 11.967 -33.533 1.00 0.00 C ATOM 1054 NZ LYS A 55 -0.661 12.319 -33.952 1.00 0.00 N ATOM 0 H LYS A 55 4.306 7.300 -34.999 1.00 0.00 H new ATOM 0 HA LYS A 55 2.482 9.188 -35.396 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.491 10.087 -33.152 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.234 10.269 -33.160 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.490 12.467 -33.405 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.867 12.014 -35.055 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.727 13.234 -34.965 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.471 11.593 -35.525 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.744 10.923 -33.221 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.995 12.566 -32.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.339 11.967 -33.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.747 13.353 -34.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.865 11.885 -34.875 1.00 0.00 H new ATOM 1068 N PRO A 56 4.207 10.180 -37.087 1.00 0.00 N ATOM 1069 CA PRO A 56 5.159 10.830 -38.011 1.00 0.00 C ATOM 1070 C PRO A 56 5.804 12.083 -37.368 1.00 0.00 C ATOM 1071 O PRO A 56 5.116 12.884 -36.722 1.00 0.00 O ATOM 1072 CB PRO A 56 4.263 11.219 -39.219 1.00 0.00 C ATOM 1073 CG PRO A 56 2.880 11.279 -38.642 1.00 0.00 C ATOM 1074 CD PRO A 56 2.838 10.164 -37.653 1.00 0.00 C ATOM 0 HA PRO A 56 5.995 10.186 -38.284 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.560 12.178 -39.644 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.330 10.482 -40.019 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.691 12.240 -38.164 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.122 11.152 -39.415 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.081 10.331 -36.887 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.607 9.210 -38.127 1.00 0.00 H new ATOM 1082 N HIS A 57 7.137 12.196 -37.521 1.00 0.00 N ATOM 1083 CA HIS A 57 7.965 13.360 -37.104 1.00 0.00 C ATOM 1084 C HIS A 57 8.255 13.398 -35.590 1.00 0.00 C ATOM 1085 O HIS A 57 9.153 14.141 -35.161 1.00 0.00 O ATOM 1086 CB HIS A 57 7.388 14.723 -37.603 1.00 0.00 C ATOM 1087 CG HIS A 57 7.338 14.848 -39.112 1.00 0.00 C ATOM 1088 ND1 HIS A 57 8.364 15.385 -39.861 1.00 0.00 N ATOM 1089 CD2 HIS A 57 6.393 14.475 -40.003 1.00 0.00 C ATOM 1090 CE1 HIS A 57 8.049 15.331 -41.137 1.00 0.00 C ATOM 1091 NE2 HIS A 57 6.859 14.782 -41.252 1.00 0.00 N ATOM 0 H HIS A 57 7.693 11.458 -37.952 1.00 0.00 H new ATOM 0 HA HIS A 57 8.924 13.210 -37.601 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.382 14.849 -37.203 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.995 15.534 -37.200 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.443 14.018 -39.771 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.664 15.679 -41.954 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.365 14.613 -42.128 1.00 0.00 H new ATOM 1100 N VAL A 58 7.508 12.609 -34.790 1.00 0.00 N ATOM 1101 CA VAL A 58 7.801 12.426 -33.356 1.00 0.00 C ATOM 1102 C VAL A 58 9.094 11.601 -33.242 1.00 0.00 C ATOM 1103 O VAL A 58 9.363 10.739 -34.107 1.00 0.00 O ATOM 1104 CB VAL A 58 6.596 11.725 -32.574 1.00 0.00 C ATOM 1105 CG1 VAL A 58 6.720 10.178 -32.508 1.00 0.00 C ATOM 1106 CG2 VAL A 58 6.402 12.317 -31.157 1.00 0.00 C ATOM 0 H VAL A 58 6.695 12.087 -35.116 1.00 0.00 H new ATOM 0 HA VAL A 58 7.929 13.402 -32.887 1.00 0.00 H new ATOM 0 HB VAL A 58 5.706 11.945 -33.163 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.869 9.768 -31.964 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.735 9.771 -33.519 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.643 9.909 -31.995 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.573 11.811 -30.662 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.313 12.175 -30.576 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.183 13.382 -31.234 1.00 0.00 H new ATOM 1116 N ASN A 59 9.912 11.877 -32.230 1.00 0.00 N ATOM 1117 CA ASN A 59 11.144 11.118 -32.002 1.00 0.00 C ATOM 1118 C ASN A 59 11.001 10.365 -30.691 1.00 0.00 C ATOM 1119 O ASN A 59 11.112 10.935 -29.616 1.00 0.00 O ATOM 1120 CB ASN A 59 12.371 12.066 -32.009 1.00 0.00 C ATOM 1121 CG ASN A 59 12.567 12.807 -33.348 1.00 0.00 C ATOM 1122 OD1 ASN A 59 12.229 12.168 -34.469 1.00 0.00 O flip ATOM 1123 ND2 ASN A 59 13.047 13.938 -33.382 1.00 0.00 N flip ATOM 0 H ASN A 59 9.746 12.621 -31.552 1.00 0.00 H new ATOM 0 HA ASN A 59 11.308 10.397 -32.803 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.259 12.799 -31.210 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.268 11.488 -31.788 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.299 14.411 -32.514 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.193 14.403 -34.278 1.00 0.00 H new ATOM 1130 N VAL A 60 10.758 9.068 -30.801 1.00 0.00 N ATOM 1131 CA VAL A 60 10.517 8.177 -29.660 1.00 0.00 C ATOM 1132 C VAL A 60 11.580 7.089 -29.659 1.00 0.00 C ATOM 1133 O VAL A 60 11.817 6.444 -30.676 1.00 0.00 O ATOM 1134 CB VAL A 60 9.072 7.549 -29.686 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.037 8.504 -29.033 1.00 0.00 C ATOM 1136 CG2 VAL A 60 8.633 7.187 -31.129 1.00 0.00 C ATOM 0 H VAL A 60 10.721 8.589 -31.701 1.00 0.00 H new ATOM 0 HA VAL A 60 10.579 8.763 -28.743 1.00 0.00 H new ATOM 0 HB VAL A 60 9.111 6.628 -29.104 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.049 8.046 -29.065 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.318 8.691 -27.996 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.017 9.447 -29.579 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.632 6.757 -31.108 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.628 8.087 -31.744 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.330 6.463 -31.551 1.00 0.00 H new ATOM 1146 N LEU A 61 12.249 6.942 -28.518 1.00 0.00 N ATOM 1147 CA LEU A 61 13.424 6.087 -28.349 1.00 0.00 C ATOM 1148 C LEU A 61 13.151 4.965 -27.341 1.00 0.00 C ATOM 1149 O LEU A 61 12.361 5.112 -26.409 1.00 0.00 O ATOM 1150 CB LEU A 61 14.656 6.924 -27.893 1.00 0.00 C ATOM 1151 CG LEU A 61 15.232 7.967 -28.904 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.316 9.177 -29.102 1.00 0.00 C ATOM 1153 CD2 LEU A 61 16.664 8.403 -28.522 1.00 0.00 C ATOM 0 H LEU A 61 11.982 7.427 -27.661 1.00 0.00 H new ATOM 0 HA LEU A 61 13.645 5.635 -29.316 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.383 7.455 -26.981 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.456 6.231 -27.632 1.00 0.00 H new ATOM 0 HG LEU A 61 15.283 7.457 -29.866 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.771 9.865 -29.815 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.351 8.844 -29.484 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.173 9.685 -28.148 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.030 9.128 -29.249 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.654 8.856 -27.531 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.320 7.533 -28.517 1.00 0.00 H new ATOM 1165 N LYS A 62 13.855 3.867 -27.550 1.00 0.00 N ATOM 1166 CA LYS A 62 13.825 2.674 -26.715 1.00 0.00 C ATOM 1167 C LYS A 62 15.266 2.391 -26.277 1.00 0.00 C ATOM 1168 O LYS A 62 16.085 1.931 -27.082 1.00 0.00 O ATOM 1169 CB LYS A 62 13.231 1.520 -27.557 1.00 0.00 C ATOM 1170 CG LYS A 62 13.540 0.088 -27.111 1.00 0.00 C ATOM 1171 CD LYS A 62 12.910 -0.312 -25.777 1.00 0.00 C ATOM 1172 CE LYS A 62 13.300 -1.746 -25.397 1.00 0.00 C ATOM 1173 NZ LYS A 62 14.772 -1.924 -25.294 1.00 0.00 N ATOM 0 H LYS A 62 14.492 3.776 -28.341 1.00 0.00 H new ATOM 0 HA LYS A 62 13.207 2.793 -25.825 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.148 1.640 -27.576 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.582 1.636 -28.582 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.195 -0.601 -27.882 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.621 -0.031 -27.038 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.234 0.376 -24.996 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.825 -0.231 -25.844 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.838 -2.005 -24.444 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.904 -2.437 -26.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.094 -2.583 -26.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.243 -1.005 -25.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.010 -2.309 -24.358 1.00 0.00 H new ATOM 1187 N ASN A 63 15.554 2.714 -25.008 1.00 0.00 N ATOM 1188 CA ASN A 63 16.893 2.588 -24.391 1.00 0.00 C ATOM 1189 C ASN A 63 17.986 3.267 -25.274 1.00 0.00 C ATOM 1190 O ASN A 63 19.114 2.774 -25.404 1.00 0.00 O ATOM 1191 CB ASN A 63 17.191 1.081 -24.080 1.00 0.00 C ATOM 1192 CG ASN A 63 18.118 0.868 -22.873 1.00 0.00 C ATOM 1193 OD1 ASN A 63 19.000 1.679 -22.586 1.00 0.00 O ATOM 1194 ND2 ASN A 63 17.916 -0.226 -22.147 1.00 0.00 N ATOM 0 H ASN A 63 14.852 3.078 -24.364 1.00 0.00 H new ATOM 0 HA ASN A 63 16.910 3.122 -23.441 1.00 0.00 H new ATOM 0 HB2 ASN A 63 16.249 0.564 -23.898 1.00 0.00 H new ATOM 0 HB3 ASN A 63 17.643 0.621 -24.959 1.00 0.00 H new ATOM 0 HD21 ASN A 63 18.498 -0.411 -21.330 1.00 0.00 H new ATOM 0 HD22 ASN A 63 17.179 -0.881 -22.407 1.00 0.00 H new ATOM 1201 N GLY A 64 17.614 4.429 -25.869 1.00 0.00 N ATOM 1202 CA GLY A 64 18.518 5.236 -26.709 1.00 0.00 C ATOM 1203 C GLY A 64 18.481 4.906 -28.213 1.00 0.00 C ATOM 1204 O GLY A 64 19.123 5.606 -29.010 1.00 0.00 O ATOM 0 H GLY A 64 16.679 4.827 -25.776 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.268 6.289 -26.578 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.538 5.104 -26.349 1.00 0.00 H new ATOM 1208 N ARG A 65 17.727 3.864 -28.614 1.00 0.00 N ATOM 1209 CA ARG A 65 17.537 3.492 -30.041 1.00 0.00 C ATOM 1210 C ARG A 65 16.141 3.948 -30.508 1.00 0.00 C ATOM 1211 O ARG A 65 15.136 3.380 -30.081 1.00 0.00 O ATOM 1212 CB ARG A 65 17.697 1.955 -30.240 1.00 0.00 C ATOM 1213 CG ARG A 65 17.579 1.483 -31.713 1.00 0.00 C ATOM 1214 CD ARG A 65 18.739 1.980 -32.594 1.00 0.00 C ATOM 1215 NE ARG A 65 18.587 1.567 -34.003 1.00 0.00 N ATOM 1216 CZ ARG A 65 19.409 1.921 -35.007 1.00 0.00 C ATOM 1217 NH1 ARG A 65 20.463 2.701 -34.792 1.00 0.00 N ATOM 1218 NH2 ARG A 65 19.174 1.478 -36.231 1.00 0.00 N ATOM 0 H ARG A 65 17.231 3.254 -27.964 1.00 0.00 H new ATOM 0 HA ARG A 65 18.300 3.990 -30.639 1.00 0.00 H new ATOM 0 HB2 ARG A 65 18.668 1.650 -29.850 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.940 1.443 -29.646 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.550 0.394 -31.739 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.636 1.837 -32.129 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.794 3.067 -32.540 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.681 1.594 -32.204 1.00 0.00 H new ATOM 0 HE ARG A 65 17.796 0.966 -34.233 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.661 3.043 -33.852 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.074 2.958 -35.567 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.373 0.872 -36.409 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.793 1.743 -36.997 1.00 0.00 H new ATOM 1232 N GLU A 66 16.094 4.970 -31.387 1.00 0.00 N ATOM 1233 CA GLU A 66 14.837 5.610 -31.827 1.00 0.00 C ATOM 1234 C GLU A 66 13.977 4.625 -32.657 1.00 0.00 C ATOM 1235 O GLU A 66 14.352 4.240 -33.768 1.00 0.00 O ATOM 1236 CB GLU A 66 15.145 6.925 -32.613 1.00 0.00 C ATOM 1237 CG GLU A 66 14.028 7.997 -32.559 1.00 0.00 C ATOM 1238 CD GLU A 66 14.417 9.317 -33.248 1.00 0.00 C ATOM 1239 OE1 GLU A 66 15.193 10.098 -32.650 1.00 0.00 O ATOM 1240 OE2 GLU A 66 13.973 9.577 -34.383 1.00 0.00 O ATOM 0 H GLU A 66 16.928 5.375 -31.812 1.00 0.00 H new ATOM 0 HA GLU A 66 14.252 5.880 -30.948 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.064 7.359 -32.219 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.334 6.671 -33.656 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.130 7.600 -33.031 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.778 8.199 -31.517 1.00 0.00 H new ATOM 1247 N VAL A 67 12.824 4.229 -32.083 1.00 0.00 N ATOM 1248 CA VAL A 67 11.908 3.207 -32.643 1.00 0.00 C ATOM 1249 C VAL A 67 11.193 3.625 -33.938 1.00 0.00 C ATOM 1250 O VAL A 67 10.392 2.855 -34.463 1.00 0.00 O ATOM 1251 CB VAL A 67 10.861 2.703 -31.590 1.00 0.00 C ATOM 1252 CG1 VAL A 67 11.549 1.955 -30.445 1.00 0.00 C ATOM 1253 CG2 VAL A 67 9.978 3.851 -31.055 1.00 0.00 C ATOM 0 H VAL A 67 12.494 4.616 -31.199 1.00 0.00 H new ATOM 0 HA VAL A 67 12.571 2.383 -32.909 1.00 0.00 H new ATOM 0 HB VAL A 67 10.200 2.004 -32.103 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.800 1.617 -29.729 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.085 1.094 -30.843 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.253 2.621 -29.946 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.268 3.456 -30.329 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.607 4.601 -30.576 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.435 4.308 -31.882 1.00 0.00 H new ATOM 1263 N VAL A 68 11.444 4.843 -34.434 1.00 0.00 N ATOM 1264 CA VAL A 68 10.969 5.251 -35.768 1.00 0.00 C ATOM 1265 C VAL A 68 11.750 4.498 -36.883 1.00 0.00 C ATOM 1266 O VAL A 68 11.303 4.439 -38.036 1.00 0.00 O ATOM 1267 CB VAL A 68 11.072 6.808 -35.976 1.00 0.00 C ATOM 1268 CG1 VAL A 68 10.400 7.568 -34.799 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.540 7.269 -36.186 1.00 0.00 C ATOM 0 H VAL A 68 11.970 5.562 -33.937 1.00 0.00 H new ATOM 0 HA VAL A 68 9.915 4.981 -35.835 1.00 0.00 H new ATOM 0 HB VAL A 68 10.530 7.054 -36.889 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.484 8.642 -34.965 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.348 7.291 -34.740 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.897 7.305 -33.865 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.566 8.350 -36.326 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.134 7.002 -35.312 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.952 6.779 -37.068 1.00 0.00 H new ATOM 1279 N HIS A 69 12.927 3.932 -36.515 1.00 0.00 N ATOM 1280 CA HIS A 69 13.804 3.159 -37.433 1.00 0.00 C ATOM 1281 C HIS A 69 13.489 1.648 -37.374 1.00 0.00 C ATOM 1282 O HIS A 69 14.000 0.872 -38.187 1.00 0.00 O ATOM 1283 CB HIS A 69 15.297 3.396 -37.072 1.00 0.00 C ATOM 1284 CG HIS A 69 15.697 4.845 -37.037 1.00 0.00 C ATOM 1285 ND1 HIS A 69 15.954 5.663 -35.994 1.00 0.00 N flip ATOM 1286 CD2 HIS A 69 15.842 5.618 -38.166 1.00 0.00 C flip ATOM 1287 CE1 HIS A 69 16.240 6.898 -36.504 1.00 0.00 C flip ATOM 1288 NE2 HIS A 69 16.168 6.847 -37.818 1.00 0.00 N flip ATOM 0 H HIS A 69 13.297 3.999 -35.567 1.00 0.00 H new ATOM 0 HA HIS A 69 13.614 3.508 -38.448 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.499 2.951 -36.098 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.922 2.875 -37.797 1.00 0.00 H new ATOM 0 HD2 HIS A 69 15.709 5.272 -39.180 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.486 7.775 -35.923 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.336 7.625 -38.457 1.00 0.00 H new ATOM 1297 N LEU A 70 12.670 1.248 -36.387 1.00 0.00 N ATOM 1298 CA LEU A 70 12.274 -0.157 -36.160 1.00 0.00 C ATOM 1299 C LEU A 70 10.805 -0.197 -35.684 1.00 0.00 C ATOM 1300 O LEU A 70 10.024 0.701 -36.016 1.00 0.00 O ATOM 1301 CB LEU A 70 13.248 -0.864 -35.149 1.00 0.00 C ATOM 1302 CG LEU A 70 13.466 -0.185 -33.742 1.00 0.00 C ATOM 1303 CD1 LEU A 70 13.893 -1.214 -32.676 1.00 0.00 C ATOM 1304 CD2 LEU A 70 14.513 0.949 -33.810 1.00 0.00 C ATOM 0 H LEU A 70 12.258 1.896 -35.716 1.00 0.00 H new ATOM 0 HA LEU A 70 12.348 -0.714 -37.094 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.879 -1.875 -34.979 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.221 -0.957 -35.631 1.00 0.00 H new ATOM 0 HG LEU A 70 12.506 0.243 -33.454 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.034 -0.710 -31.720 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.119 -1.975 -32.575 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.828 -1.685 -32.979 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.635 1.392 -32.821 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.467 0.543 -34.146 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.177 1.713 -34.511 1.00 0.00 H new ATOM 1316 N ASP A 71 10.420 -1.262 -34.968 1.00 0.00 N ATOM 1317 CA ASP A 71 9.074 -1.391 -34.381 1.00 0.00 C ATOM 1318 C ASP A 71 8.842 -0.352 -33.267 1.00 0.00 C ATOM 1319 O ASP A 71 9.475 -0.418 -32.209 1.00 0.00 O ATOM 1320 CB ASP A 71 8.889 -2.813 -33.819 1.00 0.00 C ATOM 1321 CG ASP A 71 8.935 -3.900 -34.906 1.00 0.00 C ATOM 1322 OD1 ASP A 71 10.049 -4.347 -35.267 1.00 0.00 O ATOM 1323 OD2 ASP A 71 7.861 -4.299 -35.416 1.00 0.00 O ATOM 0 H ASP A 71 11.029 -2.058 -34.778 1.00 0.00 H new ATOM 0 HA ASP A 71 8.342 -1.207 -35.167 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.668 -3.011 -33.082 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.934 -2.870 -33.297 1.00 0.00 H new ATOM 1328 N GLY A 72 7.954 0.619 -33.534 1.00 0.00 N ATOM 1329 CA GLY A 72 7.550 1.603 -32.530 1.00 0.00 C ATOM 1330 C GLY A 72 6.632 1.027 -31.460 1.00 0.00 C ATOM 1331 O GLY A 72 6.877 1.188 -30.257 1.00 0.00 O ATOM 0 H GLY A 72 7.504 0.740 -34.441 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.441 2.013 -32.053 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.044 2.432 -33.026 1.00 0.00 H new ATOM 1335 N MET A 73 5.577 0.342 -31.918 1.00 0.00 N ATOM 1336 CA MET A 73 4.508 -0.190 -31.048 1.00 0.00 C ATOM 1337 C MET A 73 4.976 -1.384 -30.187 1.00 0.00 C ATOM 1338 O MET A 73 4.577 -1.496 -29.022 1.00 0.00 O ATOM 1339 CB MET A 73 3.256 -0.545 -31.913 1.00 0.00 C ATOM 1340 CG MET A 73 2.388 0.681 -32.252 1.00 0.00 C ATOM 1341 SD MET A 73 1.478 1.245 -30.790 1.00 0.00 S ATOM 1342 CE MET A 73 1.185 2.977 -31.124 1.00 0.00 C ATOM 0 H MET A 73 5.435 0.137 -32.907 1.00 0.00 H new ATOM 0 HA MET A 73 4.234 0.589 -30.336 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.584 -1.018 -32.839 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.649 -1.276 -31.379 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.019 1.487 -32.627 1.00 0.00 H new ATOM 0 HG3 MET A 73 1.687 0.428 -33.048 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.682 3.432 -30.271 1.00 0.00 H new ATOM 0 HE2 MET A 73 2.136 3.480 -31.296 1.00 0.00 H new ATOM 0 HE3 MET A 73 0.557 3.076 -32.010 1.00 0.00 H new ATOM 1352 N ALA A 74 5.844 -2.253 -30.742 1.00 0.00 N ATOM 1353 CA ALA A 74 6.351 -3.451 -30.023 1.00 0.00 C ATOM 1354 C ALA A 74 7.774 -3.821 -30.476 1.00 0.00 C ATOM 1355 O ALA A 74 7.980 -4.692 -31.337 1.00 0.00 O ATOM 1356 CB ALA A 74 5.372 -4.638 -30.166 1.00 0.00 C ATOM 0 H ALA A 74 6.212 -2.152 -31.688 1.00 0.00 H new ATOM 0 HA ALA A 74 6.412 -3.204 -28.963 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.767 -5.502 -29.631 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.404 -4.363 -29.748 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.254 -4.887 -31.221 1.00 0.00 H new ATOM 1362 N THR A 75 8.754 -3.113 -29.897 1.00 0.00 N ATOM 1363 CA THR A 75 10.191 -3.317 -30.171 1.00 0.00 C ATOM 1364 C THR A 75 10.764 -4.537 -29.394 1.00 0.00 C ATOM 1365 O THR A 75 10.883 -5.630 -29.963 1.00 0.00 O ATOM 1366 CB THR A 75 11.021 -1.994 -29.907 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.425 -2.271 -29.763 1.00 0.00 O ATOM 1368 CG2 THR A 75 10.520 -1.208 -28.685 1.00 0.00 C ATOM 0 H THR A 75 8.574 -2.374 -29.218 1.00 0.00 H new ATOM 0 HA THR A 75 10.291 -3.552 -31.231 1.00 0.00 H new ATOM 0 HB THR A 75 10.869 -1.370 -30.788 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.938 -1.451 -29.922 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.127 -0.312 -28.555 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.479 -0.922 -28.838 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.598 -1.832 -27.794 1.00 0.00 H new ATOM 1376 N ALA A 76 11.066 -4.361 -28.095 1.00 0.00 N ATOM 1377 CA ALA A 76 11.844 -5.342 -27.305 1.00 0.00 C ATOM 1378 C ALA A 76 11.801 -4.971 -25.817 1.00 0.00 C ATOM 1379 O ALA A 76 12.757 -5.219 -25.068 1.00 0.00 O ATOM 1380 CB ALA A 76 13.304 -5.401 -27.820 1.00 0.00 C ATOM 0 H ALA A 76 10.781 -3.540 -27.562 1.00 0.00 H new ATOM 0 HA ALA A 76 11.400 -6.331 -27.424 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.868 -6.125 -27.232 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.308 -5.701 -28.868 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.764 -4.418 -27.723 1.00 0.00 H new ATOM 1386 N LEU A 77 10.665 -4.394 -25.388 1.00 0.00 N ATOM 1387 CA LEU A 77 10.572 -3.692 -24.106 1.00 0.00 C ATOM 1388 C LEU A 77 10.535 -4.689 -22.935 1.00 0.00 C ATOM 1389 O LEU A 77 9.680 -5.577 -22.882 1.00 0.00 O ATOM 1390 CB LEU A 77 9.347 -2.748 -24.097 1.00 0.00 C ATOM 1391 CG LEU A 77 9.303 -1.712 -22.937 1.00 0.00 C ATOM 1392 CD1 LEU A 77 10.595 -0.874 -22.886 1.00 0.00 C ATOM 1393 CD2 LEU A 77 8.064 -0.805 -23.052 1.00 0.00 C ATOM 0 H LEU A 77 9.794 -4.403 -25.919 1.00 0.00 H new ATOM 0 HA LEU A 77 11.464 -3.079 -23.978 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.321 -2.208 -25.043 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.443 -3.356 -24.052 1.00 0.00 H new ATOM 0 HG LEU A 77 9.229 -2.267 -22.002 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.533 -0.160 -22.065 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.450 -1.532 -22.731 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.717 -0.336 -23.826 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.058 -0.091 -22.229 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.094 -0.267 -23.999 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.162 -1.415 -23.009 1.00 0.00 H new ATOM 1405 N ASP A 78 11.494 -4.516 -22.023 1.00 0.00 N ATOM 1406 CA ASP A 78 11.788 -5.461 -20.939 1.00 0.00 C ATOM 1407 C ASP A 78 11.843 -4.696 -19.612 1.00 0.00 C ATOM 1408 O ASP A 78 11.876 -3.462 -19.603 1.00 0.00 O ATOM 1409 CB ASP A 78 13.153 -6.152 -21.244 1.00 0.00 C ATOM 1410 CG ASP A 78 13.484 -7.340 -20.317 1.00 0.00 C ATOM 1411 OD1 ASP A 78 13.001 -8.464 -20.581 1.00 0.00 O ATOM 1412 OD2 ASP A 78 14.215 -7.152 -19.311 1.00 0.00 O ATOM 0 H ASP A 78 12.102 -3.697 -22.016 1.00 0.00 H new ATOM 0 HA ASP A 78 11.013 -6.224 -20.865 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.147 -6.502 -22.276 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.948 -5.411 -21.164 1.00 0.00 H new ATOM 1417 N ASP A 79 11.856 -5.434 -18.498 1.00 0.00 N ATOM 1418 CA ASP A 79 11.935 -4.853 -17.151 1.00 0.00 C ATOM 1419 C ASP A 79 13.276 -4.130 -16.932 1.00 0.00 C ATOM 1420 O ASP A 79 14.342 -4.656 -17.275 1.00 0.00 O ATOM 1421 CB ASP A 79 11.743 -5.960 -16.082 1.00 0.00 C ATOM 1422 CG ASP A 79 11.989 -5.471 -14.642 1.00 0.00 C ATOM 1423 OD1 ASP A 79 11.212 -4.626 -14.154 1.00 0.00 O ATOM 1424 OD2 ASP A 79 12.968 -5.921 -14.001 1.00 0.00 O ATOM 0 H ASP A 79 11.812 -6.453 -18.503 1.00 0.00 H new ATOM 0 HA ASP A 79 11.137 -4.117 -17.053 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.729 -6.354 -16.156 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.422 -6.785 -16.298 1.00 0.00 H new ATOM 1429 N GLY A 80 13.186 -2.928 -16.345 1.00 0.00 N ATOM 1430 CA GLY A 80 14.352 -2.090 -16.065 1.00 0.00 C ATOM 1431 C GLY A 80 14.863 -1.331 -17.284 1.00 0.00 C ATOM 1432 O GLY A 80 16.017 -0.880 -17.297 1.00 0.00 O ATOM 0 H GLY A 80 12.301 -2.513 -16.053 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.096 -1.375 -15.283 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.154 -2.716 -15.674 1.00 0.00 H new ATOM 1436 N ASP A 81 14.009 -1.192 -18.318 1.00 0.00 N ATOM 1437 CA ASP A 81 14.366 -0.468 -19.560 1.00 0.00 C ATOM 1438 C ASP A 81 14.087 1.041 -19.393 1.00 0.00 C ATOM 1439 O ASP A 81 13.476 1.449 -18.401 1.00 0.00 O ATOM 1440 CB ASP A 81 13.584 -1.046 -20.776 1.00 0.00 C ATOM 1441 CG ASP A 81 14.298 -0.760 -22.108 1.00 0.00 C ATOM 1442 OD1 ASP A 81 15.166 -1.564 -22.510 1.00 0.00 O ATOM 1443 OD2 ASP A 81 14.032 0.291 -22.742 1.00 0.00 O ATOM 0 H ASP A 81 13.063 -1.573 -18.319 1.00 0.00 H new ATOM 0 HA ASP A 81 15.431 -0.603 -19.751 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.465 -2.122 -20.652 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.583 -0.615 -20.801 1.00 0.00 H new ATOM 1448 N ALA A 82 14.549 1.866 -20.353 1.00 0.00 N ATOM 1449 CA ALA A 82 14.365 3.332 -20.324 1.00 0.00 C ATOM 1450 C ALA A 82 13.836 3.839 -21.686 1.00 0.00 C ATOM 1451 O ALA A 82 14.606 4.028 -22.632 1.00 0.00 O ATOM 1452 CB ALA A 82 15.688 4.026 -19.945 1.00 0.00 C ATOM 0 H ALA A 82 15.061 1.535 -21.171 1.00 0.00 H new ATOM 0 HA ALA A 82 13.622 3.580 -19.566 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.540 5.106 -19.927 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.008 3.687 -18.960 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.453 3.777 -20.680 1.00 0.00 H new ATOM 1458 N VAL A 83 12.512 4.055 -21.778 1.00 0.00 N ATOM 1459 CA VAL A 83 11.861 4.551 -23.004 1.00 0.00 C ATOM 1460 C VAL A 83 11.913 6.095 -23.013 1.00 0.00 C ATOM 1461 O VAL A 83 11.219 6.750 -22.230 1.00 0.00 O ATOM 1462 CB VAL A 83 10.355 4.090 -23.086 1.00 0.00 C ATOM 1463 CG1 VAL A 83 9.683 4.544 -24.408 1.00 0.00 C ATOM 1464 CG2 VAL A 83 10.225 2.567 -22.892 1.00 0.00 C ATOM 0 H VAL A 83 11.864 3.891 -21.007 1.00 0.00 H new ATOM 0 HA VAL A 83 12.393 4.140 -23.862 1.00 0.00 H new ATOM 0 HB VAL A 83 9.825 4.579 -22.269 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.647 4.206 -24.424 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.711 5.632 -24.476 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.218 4.114 -25.255 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.175 2.281 -22.954 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.788 2.052 -23.670 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.620 2.290 -21.915 1.00 0.00 H new ATOM 1474 N SER A 84 12.753 6.660 -23.881 1.00 0.00 N ATOM 1475 CA SER A 84 12.854 8.120 -24.064 1.00 0.00 C ATOM 1476 C SER A 84 11.816 8.593 -25.103 1.00 0.00 C ATOM 1477 O SER A 84 11.423 7.817 -25.964 1.00 0.00 O ATOM 1478 CB SER A 84 14.279 8.477 -24.512 1.00 0.00 C ATOM 1479 OG SER A 84 15.237 8.075 -23.548 1.00 0.00 O ATOM 0 H SER A 84 13.384 6.126 -24.479 1.00 0.00 H new ATOM 0 HA SER A 84 12.645 8.625 -23.121 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.495 7.995 -25.465 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.353 9.552 -24.675 1.00 0.00 H new ATOM 0 HG SER A 84 16.135 8.313 -23.860 1.00 0.00 H new ATOM 1485 N VAL A 85 11.349 9.859 -25.009 1.00 0.00 N ATOM 1486 CA VAL A 85 10.385 10.447 -25.973 1.00 0.00 C ATOM 1487 C VAL A 85 10.700 11.945 -26.186 1.00 0.00 C ATOM 1488 O VAL A 85 11.162 12.647 -25.277 1.00 0.00 O ATOM 1489 CB VAL A 85 8.852 10.294 -25.555 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.448 8.827 -25.236 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.479 11.230 -24.389 1.00 0.00 C ATOM 0 H VAL A 85 11.627 10.501 -24.267 1.00 0.00 H new ATOM 0 HA VAL A 85 10.513 9.878 -26.894 1.00 0.00 H new ATOM 0 HB VAL A 85 8.278 10.595 -26.431 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.394 8.792 -24.959 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.613 8.205 -26.116 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.053 8.454 -24.409 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.428 11.095 -24.136 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.095 10.993 -23.521 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.651 12.265 -24.684 1.00 0.00 H new ATOM 1501 N PHE A 86 10.451 12.405 -27.406 1.00 0.00 N ATOM 1502 CA PHE A 86 10.603 13.802 -27.839 1.00 0.00 C ATOM 1503 C PHE A 86 9.347 14.111 -28.693 1.00 0.00 C ATOM 1504 O PHE A 86 8.919 13.234 -29.455 1.00 0.00 O ATOM 1505 CB PHE A 86 11.882 14.016 -28.727 1.00 0.00 C ATOM 1506 CG PHE A 86 13.238 13.642 -28.100 1.00 0.00 C ATOM 1507 CD1 PHE A 86 13.566 12.315 -27.846 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.197 14.613 -27.791 1.00 0.00 C ATOM 1509 CE1 PHE A 86 14.787 11.969 -27.303 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.427 14.260 -27.253 1.00 0.00 C ATOM 1511 CZ PHE A 86 15.714 12.932 -27.008 1.00 0.00 C ATOM 0 H PHE A 86 10.124 11.796 -28.156 1.00 0.00 H new ATOM 0 HA PHE A 86 10.709 14.452 -26.970 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.760 13.436 -29.642 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.921 15.066 -29.018 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.851 11.539 -28.078 1.00 0.00 H new ATOM 0 HD2 PHE A 86 13.977 15.654 -27.974 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.013 10.931 -27.109 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.158 15.022 -27.027 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.668 12.654 -26.585 1.00 0.00 H new ATOM 1521 N PRO A 87 8.731 15.328 -28.589 1.00 0.00 N ATOM 1522 CA PRO A 87 7.592 15.760 -29.455 1.00 0.00 C ATOM 1523 C PRO A 87 7.986 15.855 -30.947 1.00 0.00 C ATOM 1524 O PRO A 87 9.181 15.760 -31.270 1.00 0.00 O ATOM 1525 CB PRO A 87 7.204 17.152 -28.869 1.00 0.00 C ATOM 1526 CG PRO A 87 8.431 17.616 -28.181 1.00 0.00 C ATOM 1527 CD PRO A 87 9.069 16.375 -27.609 1.00 0.00 C ATOM 0 HA PRO A 87 6.768 15.047 -29.444 1.00 0.00 H new ATOM 0 HB2 PRO A 87 6.903 17.844 -29.655 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.366 17.072 -28.177 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.104 18.118 -28.876 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.193 18.332 -27.395 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.148 16.491 -27.503 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.675 16.141 -26.620 1.00 0.00 H new ATOM 1535 N PRO A 88 6.998 16.018 -31.895 1.00 0.00 N ATOM 1536 CA PRO A 88 7.329 16.164 -33.325 1.00 0.00 C ATOM 1537 C PRO A 88 8.171 17.440 -33.562 1.00 0.00 C ATOM 1538 O PRO A 88 7.805 18.535 -33.114 1.00 0.00 O ATOM 1539 CB PRO A 88 5.939 16.212 -34.014 1.00 0.00 C ATOM 1540 CG PRO A 88 4.999 16.682 -32.944 1.00 0.00 C ATOM 1541 CD PRO A 88 5.524 16.083 -31.659 1.00 0.00 C ATOM 0 HA PRO A 88 7.943 15.356 -33.722 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.942 16.893 -34.865 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.650 15.231 -34.392 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.977 17.770 -32.890 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.979 16.352 -33.144 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.281 16.703 -30.796 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.101 15.096 -31.472 1.00 0.00 H new