USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 439 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 15 GLN : amide:sc= 0.342 K(o=0.34,f=-7.4!) USER MOD Single : A 16 GLN : amide:sc= -0.0879 X(o=-0.088,f=0) USER MOD Single : A 22 THR OG1 : rot 80:sc= 0.67 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.992 K(o=-0.99,f=-1.6) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0583 X(o=-0.058,f=-0.43) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 229 N ARG A 14 9.051 1.174 -8.015 1.00 0.00 N ATOM 230 CA ARG A 14 9.928 1.457 -6.886 1.00 0.00 C ATOM 231 C ARG A 14 10.213 2.953 -6.781 1.00 0.00 C ATOM 232 O ARG A 14 10.616 3.444 -5.727 1.00 0.00 O ATOM 233 CB ARG A 14 11.242 0.686 -7.027 1.00 0.00 C ATOM 234 CG ARG A 14 12.000 1.003 -8.306 1.00 0.00 C ATOM 235 CD ARG A 14 11.898 -0.134 -9.311 1.00 0.00 C ATOM 236 NE ARG A 14 11.961 0.347 -10.688 1.00 0.00 N ATOM 237 CZ ARG A 14 11.653 -0.401 -11.742 1.00 0.00 C ATOM 238 NH1 ARG A 14 11.261 -1.657 -11.576 1.00 0.00 N ATOM 239 NH2 ARG A 14 11.735 0.107 -12.965 1.00 0.00 N ATOM 0 HA ARG A 14 9.422 1.135 -5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.879 0.911 -6.172 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.031 -0.383 -6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.604 1.917 -8.748 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.048 1.190 -8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.706 -0.845 -9.138 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.962 -0.671 -9.157 1.00 0.00 H new ATOM 0 HE ARG A 14 12.258 1.309 -10.850 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.195 -2.051 -10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.025 -2.229 -12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.035 1.073 -13.097 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.498 -0.468 -13.773 1.00 0.00 H new ATOM 253 N GLN A 15 10.001 3.669 -7.881 1.00 0.00 N ATOM 254 CA GLN A 15 10.236 5.108 -7.912 1.00 0.00 C ATOM 255 C GLN A 15 9.531 5.800 -6.750 1.00 0.00 C ATOM 256 O GLN A 15 10.144 6.568 -6.009 1.00 0.00 O ATOM 257 CB GLN A 15 9.755 5.696 -9.239 1.00 0.00 C ATOM 258 CG GLN A 15 10.652 5.352 -10.418 1.00 0.00 C ATOM 259 CD GLN A 15 10.250 4.059 -11.099 1.00 0.00 C ATOM 260 OE1 GLN A 15 10.357 2.978 -10.517 1.00 0.00 O ATOM 261 NE2 GLN A 15 9.786 4.162 -12.338 1.00 0.00 N ATOM 0 H GLN A 15 9.667 3.277 -8.761 1.00 0.00 H new ATOM 0 HA GLN A 15 11.308 5.278 -7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.747 5.335 -9.443 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.692 6.780 -9.145 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.620 6.165 -11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.683 5.272 -10.074 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.714 5.078 -12.781 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.501 3.325 -12.847 1.00 0.00 H new ATOM 270 N GLN A 16 8.240 5.522 -6.598 1.00 0.00 N ATOM 271 CA GLN A 16 7.452 6.120 -5.527 1.00 0.00 C ATOM 272 C GLN A 16 8.085 5.844 -4.167 1.00 0.00 C ATOM 273 O GLN A 16 7.963 6.646 -3.240 1.00 0.00 O ATOM 274 CB GLN A 16 6.021 5.579 -5.555 1.00 0.00 C ATOM 275 CG GLN A 16 5.239 5.995 -6.790 1.00 0.00 C ATOM 276 CD GLN A 16 4.965 4.834 -7.726 1.00 0.00 C ATOM 277 OE1 GLN A 16 3.998 4.093 -7.549 1.00 0.00 O ATOM 278 NE2 GLN A 16 5.818 4.669 -8.731 1.00 0.00 N ATOM 0 H GLN A 16 7.718 4.887 -7.202 1.00 0.00 H new ATOM 0 HA GLN A 16 7.429 7.198 -5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.052 4.491 -5.504 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.493 5.925 -4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.293 6.440 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.795 6.765 -7.325 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.606 5.307 -8.841 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.684 3.905 -9.393 1.00 0.00 H new ATOM 287 N LEU A 17 8.760 4.706 -4.054 1.00 0.00 N ATOM 288 CA LEU A 17 9.413 4.324 -2.806 1.00 0.00 C ATOM 289 C LEU A 17 10.846 4.844 -2.760 1.00 0.00 C ATOM 290 O LEU A 17 11.497 4.805 -1.716 1.00 0.00 O ATOM 291 CB LEU A 17 9.404 2.803 -2.648 1.00 0.00 C ATOM 292 CG LEU A 17 8.027 2.146 -2.545 1.00 0.00 C ATOM 293 CD1 LEU A 17 7.997 0.842 -3.326 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.658 1.906 -1.088 1.00 0.00 C ATOM 0 H LEU A 17 8.870 4.031 -4.811 1.00 0.00 H new ATOM 0 HA LEU A 17 8.858 4.772 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.930 2.367 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.974 2.547 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 17 7.290 2.822 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.009 0.389 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.216 1.041 -4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.745 0.159 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.675 1.438 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.398 1.251 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.636 2.857 -0.557 1.00 0.00 H new ATOM 306 N GLU A 18 11.330 5.331 -3.898 1.00 0.00 N ATOM 307 CA GLU A 18 12.687 5.860 -3.986 1.00 0.00 C ATOM 308 C GLU A 18 12.791 7.210 -3.283 1.00 0.00 C ATOM 309 O GLU A 18 13.774 7.489 -2.596 1.00 0.00 O ATOM 310 CB GLU A 18 13.109 6.001 -5.450 1.00 0.00 C ATOM 311 CG GLU A 18 13.409 4.674 -6.128 1.00 0.00 C ATOM 312 CD GLU A 18 14.884 4.323 -6.095 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.675 5.018 -6.766 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.246 3.352 -5.398 1.00 0.00 O ATOM 0 H GLU A 18 10.804 5.370 -4.771 1.00 0.00 H new ATOM 0 HA GLU A 18 13.356 5.158 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.317 6.510 -6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.994 6.636 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.840 3.883 -5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.072 4.715 -7.164 1.00 0.00 H new ATOM 321 N ILE A 19 11.771 8.043 -3.460 1.00 0.00 N ATOM 322 CA ILE A 19 11.748 9.363 -2.842 1.00 0.00 C ATOM 323 C ILE A 19 12.193 9.297 -1.386 1.00 0.00 C ATOM 324 O ILE A 19 12.903 10.179 -0.901 1.00 0.00 O ATOM 325 CB ILE A 19 10.343 9.991 -2.910 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.814 9.958 -4.345 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.376 11.419 -2.385 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.630 9.036 -4.531 1.00 0.00 C ATOM 0 H ILE A 19 10.950 7.827 -4.026 1.00 0.00 H new ATOM 0 HA ILE A 19 12.444 9.986 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 19 9.670 9.408 -2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.528 10.967 -4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.617 9.645 -5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.376 11.850 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.715 11.418 -1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.060 12.013 -2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.308 9.063 -5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.916 8.018 -4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.811 9.361 -3.889 1.00 0.00 H new ATOM 340 N LEU A 20 11.774 8.244 -0.692 1.00 0.00 N ATOM 341 CA LEU A 20 12.131 8.060 0.711 1.00 0.00 C ATOM 342 C LEU A 20 13.384 7.201 0.845 1.00 0.00 C ATOM 343 O LEU A 20 14.407 7.656 1.357 1.00 0.00 O ATOM 344 CB LEU A 20 10.972 7.415 1.472 1.00 0.00 C ATOM 345 CG LEU A 20 9.582 7.600 0.862 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.354 9.056 0.488 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.409 6.702 -0.353 1.00 0.00 C ATOM 0 H LEU A 20 11.187 7.505 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 20 12.338 9.040 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.170 6.347 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.959 7.819 2.484 1.00 0.00 H new ATOM 0 HG LEU A 20 8.838 7.316 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.360 9.169 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.435 9.678 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.104 9.366 -0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.414 6.847 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.160 6.954 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.529 5.660 -0.055 1.00 0.00 H new ATOM 359 N GLU A 21 13.297 5.959 0.381 1.00 0.00 N ATOM 360 CA GLU A 21 14.425 5.038 0.449 1.00 0.00 C ATOM 361 C GLU A 21 15.722 5.735 0.048 1.00 0.00 C ATOM 362 O GLU A 21 16.804 5.371 0.508 1.00 0.00 O ATOM 363 CB GLU A 21 14.181 3.830 -0.458 1.00 0.00 C ATOM 364 CG GLU A 21 14.612 2.509 0.157 1.00 0.00 C ATOM 365 CD GLU A 21 16.095 2.470 0.475 1.00 0.00 C ATOM 366 OE1 GLU A 21 16.904 2.765 -0.430 1.00 0.00 O ATOM 367 OE2 GLU A 21 16.445 2.146 1.629 1.00 0.00 O ATOM 0 H GLU A 21 12.458 5.567 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 21 14.520 4.696 1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.120 3.778 -0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.717 3.976 -1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.044 2.335 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.370 1.697 -0.529 1.00 0.00 H new ATOM 374 N THR A 22 15.604 6.739 -0.815 1.00 0.00 N ATOM 375 CA THR A 22 16.766 7.487 -1.280 1.00 0.00 C ATOM 376 C THR A 22 17.019 8.709 -0.406 1.00 0.00 C ATOM 377 O THR A 22 18.127 8.907 0.096 1.00 0.00 O ATOM 378 CB THR A 22 16.592 7.942 -2.742 1.00 0.00 C ATOM 379 OG1 THR A 22 16.232 6.826 -3.563 1.00 0.00 O ATOM 380 CG2 THR A 22 17.873 8.573 -3.267 1.00 0.00 C ATOM 0 H THR A 22 14.716 7.053 -1.206 1.00 0.00 H new ATOM 0 HA THR A 22 17.622 6.815 -1.215 1.00 0.00 H new ATOM 0 HB THR A 22 15.798 8.688 -2.776 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.273 6.646 -3.469 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.727 8.887 -4.301 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.128 9.440 -2.657 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.683 7.845 -3.220 1.00 0.00 H new ATOM 388 N LEU A 23 15.988 9.526 -0.226 1.00 0.00 N ATOM 389 CA LEU A 23 16.099 10.730 0.590 1.00 0.00 C ATOM 390 C LEU A 23 16.149 10.380 2.074 1.00 0.00 C ATOM 391 O LEU A 23 17.157 10.608 2.743 1.00 0.00 O ATOM 392 CB LEU A 23 14.921 11.667 0.315 1.00 0.00 C ATOM 393 CG LEU A 23 15.062 13.096 0.842 1.00 0.00 C ATOM 394 CD1 LEU A 23 14.039 14.010 0.186 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.912 13.124 2.356 1.00 0.00 C ATOM 0 H LEU A 23 15.065 9.377 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 23 17.027 11.235 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.763 11.713 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.024 11.227 0.751 1.00 0.00 H new ATOM 0 HG LEU A 23 16.058 13.459 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.154 15.022 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.194 14.014 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.034 13.649 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.015 14.149 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.929 12.741 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.684 12.502 2.810 1.00 0.00 H new ATOM 407 N PHE A 24 15.055 9.822 2.582 1.00 0.00 N ATOM 408 CA PHE A 24 14.974 9.439 3.987 1.00 0.00 C ATOM 409 C PHE A 24 16.250 8.727 4.431 1.00 0.00 C ATOM 410 O PHE A 24 16.690 8.874 5.570 1.00 0.00 O ATOM 411 CB PHE A 24 13.764 8.533 4.221 1.00 0.00 C ATOM 412 CG PHE A 24 13.724 7.929 5.596 1.00 0.00 C ATOM 413 CD1 PHE A 24 13.384 8.700 6.696 1.00 0.00 C ATOM 414 CD2 PHE A 24 14.029 6.591 5.789 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.346 8.147 7.963 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.992 6.033 7.053 1.00 0.00 C ATOM 417 CZ PHE A 24 13.652 6.812 8.141 1.00 0.00 C ATOM 0 H PHE A 24 14.212 9.625 2.042 1.00 0.00 H new ATOM 0 HA PHE A 24 14.860 10.347 4.580 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.853 9.109 4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.771 7.732 3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.146 9.745 6.562 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.299 5.977 4.942 1.00 0.00 H new ATOM 0 HE1 PHE A 24 13.077 8.758 8.812 1.00 0.00 H new ATOM 0 HE2 PHE A 24 14.229 4.988 7.190 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.625 6.378 9.130 1.00 0.00 H new ATOM 427 N ASN A 25 16.837 7.956 3.521 1.00 0.00 N ATOM 428 CA ASN A 25 18.060 7.220 3.818 1.00 0.00 C ATOM 429 C ASN A 25 19.281 8.128 3.706 1.00 0.00 C ATOM 430 O ASN A 25 20.178 8.085 4.547 1.00 0.00 O ATOM 431 CB ASN A 25 18.207 6.029 2.869 1.00 0.00 C ATOM 432 CG ASN A 25 19.252 5.038 3.344 1.00 0.00 C ATOM 433 OD1 ASN A 25 20.430 5.151 3.005 1.00 0.00 O ATOM 434 ND2 ASN A 25 18.824 4.058 4.131 1.00 0.00 N ATOM 0 H ASN A 25 16.485 7.825 2.572 1.00 0.00 H new ATOM 0 HA ASN A 25 17.994 6.853 4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.246 5.523 2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.477 6.390 1.876 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.481 3.360 4.480 1.00 0.00 H new ATOM 0 HD22 ASN A 25 17.838 4.003 4.387 1.00 0.00 H new ATOM 441 N GLU A 26 19.307 8.950 2.661 1.00 0.00 N ATOM 442 CA GLU A 26 20.418 9.868 2.439 1.00 0.00 C ATOM 443 C GLU A 26 20.676 10.720 3.679 1.00 0.00 C ATOM 444 O GLU A 26 21.816 10.866 4.121 1.00 0.00 O ATOM 445 CB GLU A 26 20.131 10.770 1.237 1.00 0.00 C ATOM 446 CG GLU A 26 21.220 11.796 0.972 1.00 0.00 C ATOM 447 CD GLU A 26 22.577 11.160 0.740 1.00 0.00 C ATOM 448 OE1 GLU A 26 22.616 9.985 0.317 1.00 0.00 O ATOM 449 OE2 GLU A 26 23.599 11.835 0.980 1.00 0.00 O ATOM 0 H GLU A 26 18.572 8.999 1.956 1.00 0.00 H new ATOM 0 HA GLU A 26 21.310 9.276 2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 26 20.005 10.149 0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.187 11.289 1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.948 12.392 0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.283 12.480 1.818 1.00 0.00 H new ATOM 456 N THR A 27 19.607 11.282 4.236 1.00 0.00 N ATOM 457 CA THR A 27 19.716 12.121 5.422 1.00 0.00 C ATOM 458 C THR A 27 18.341 12.560 5.913 1.00 0.00 C ATOM 459 O THR A 27 17.327 12.279 5.276 1.00 0.00 O ATOM 460 CB THR A 27 20.575 13.370 5.150 1.00 0.00 C ATOM 461 OG1 THR A 27 20.712 13.573 3.739 1.00 0.00 O ATOM 462 CG2 THR A 27 21.951 13.229 5.783 1.00 0.00 C ATOM 0 H THR A 27 18.656 11.171 3.884 1.00 0.00 H new ATOM 0 HA THR A 27 20.198 11.519 6.192 1.00 0.00 H new ATOM 0 HB THR A 27 20.075 14.231 5.594 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.258 14.370 3.575 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.539 14.123 5.577 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.845 13.104 6.861 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.456 12.358 5.365 1.00 0.00 H new ATOM 470 N GLN A 28 18.316 13.252 7.048 1.00 0.00 N ATOM 471 CA GLN A 28 17.065 13.730 7.623 1.00 0.00 C ATOM 472 C GLN A 28 16.918 15.236 7.431 1.00 0.00 C ATOM 473 O GLN A 28 16.483 15.948 8.336 1.00 0.00 O ATOM 474 CB GLN A 28 16.998 13.385 9.112 1.00 0.00 C ATOM 475 CG GLN A 28 16.791 11.904 9.384 1.00 0.00 C ATOM 476 CD GLN A 28 16.284 11.634 10.787 1.00 0.00 C ATOM 477 OE1 GLN A 28 15.161 11.168 10.975 1.00 0.00 O ATOM 478 NE2 GLN A 28 17.113 11.927 11.783 1.00 0.00 N ATOM 0 H GLN A 28 19.148 13.494 7.587 1.00 0.00 H new ATOM 0 HA GLN A 28 16.244 13.234 7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.921 13.709 9.593 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.185 13.947 9.571 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.081 11.501 8.661 1.00 0.00 H new ATOM 0 HG3 GLN A 28 17.733 11.376 9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 28 18.036 12.312 11.582 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.827 11.767 12.749 1.00 0.00 H new ATOM 487 N TYR A 29 17.282 15.714 6.246 1.00 0.00 N ATOM 488 CA TYR A 29 17.193 17.136 5.936 1.00 0.00 C ATOM 489 C TYR A 29 16.114 17.399 4.890 1.00 0.00 C ATOM 490 O TYR A 29 16.393 17.579 3.705 1.00 0.00 O ATOM 491 CB TYR A 29 18.542 17.656 5.435 1.00 0.00 C ATOM 492 CG TYR A 29 19.672 17.454 6.420 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.572 17.916 7.726 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.840 16.803 6.043 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.602 17.735 8.629 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.874 16.616 6.939 1.00 0.00 C ATOM 497 CZ TYR A 29 21.751 17.084 8.231 1.00 0.00 C ATOM 498 OH TYR A 29 22.779 16.901 9.126 1.00 0.00 O ATOM 0 H TYR A 29 17.641 15.138 5.485 1.00 0.00 H new ATOM 0 HA TYR A 29 16.924 17.665 6.850 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.791 17.153 4.501 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.452 18.719 5.211 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.673 18.426 8.041 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.941 16.437 5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.508 18.101 9.641 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.774 16.106 6.630 1.00 0.00 H new ATOM 0 HH TYR A 29 23.514 16.424 8.687 1.00 0.00 H new ATOM 508 N PRO A 30 14.850 17.423 5.339 1.00 0.00 N ATOM 509 CA PRO A 30 13.703 17.665 4.460 1.00 0.00 C ATOM 510 C PRO A 30 13.653 19.102 3.952 1.00 0.00 C ATOM 511 O PRO A 30 12.897 19.926 4.466 1.00 0.00 O ATOM 512 CB PRO A 30 12.499 17.374 5.359 1.00 0.00 C ATOM 513 CG PRO A 30 12.994 17.614 6.744 1.00 0.00 C ATOM 514 CD PRO A 30 14.445 17.217 6.739 1.00 0.00 C ATOM 0 HA PRO A 30 13.741 17.048 3.562 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.659 18.027 5.120 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.151 16.349 5.235 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.877 18.661 7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.431 17.025 7.468 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.032 17.831 7.422 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.579 16.180 7.048 1.00 0.00 H new ATOM 522 N ASP A 31 14.463 19.395 2.941 1.00 0.00 N ATOM 523 CA ASP A 31 14.511 20.733 2.363 1.00 0.00 C ATOM 524 C ASP A 31 14.313 20.679 0.851 1.00 0.00 C ATOM 525 O ASP A 31 14.267 19.601 0.259 1.00 0.00 O ATOM 526 CB ASP A 31 15.844 21.407 2.692 1.00 0.00 C ATOM 527 CG ASP A 31 15.875 21.974 4.098 1.00 0.00 C ATOM 528 OD1 ASP A 31 15.016 22.823 4.414 1.00 0.00 O ATOM 529 OD2 ASP A 31 16.758 21.568 4.882 1.00 0.00 O ATOM 0 H ASP A 31 15.095 18.724 2.505 1.00 0.00 H new ATOM 0 HA ASP A 31 13.701 21.319 2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.651 20.684 2.577 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.029 22.208 1.976 1.00 0.00 H new ATOM 534 N VAL A 32 14.196 21.850 0.232 1.00 0.00 N ATOM 535 CA VAL A 32 14.003 21.937 -1.210 1.00 0.00 C ATOM 536 C VAL A 32 15.073 21.146 -1.956 1.00 0.00 C ATOM 537 O VAL A 32 14.788 20.485 -2.954 1.00 0.00 O ATOM 538 CB VAL A 32 14.031 23.399 -1.693 1.00 0.00 C ATOM 539 CG1 VAL A 32 12.674 24.054 -1.490 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.122 24.177 -0.973 1.00 0.00 C ATOM 0 H VAL A 32 14.232 22.752 0.708 1.00 0.00 H new ATOM 0 HA VAL A 32 13.023 21.510 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 32 14.255 23.407 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.713 25.087 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.919 23.509 -2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.416 24.037 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.127 25.208 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.931 24.162 0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.090 23.719 -1.176 1.00 0.00 H new ATOM 550 N PHE A 33 16.305 21.219 -1.464 1.00 0.00 N ATOM 551 CA PHE A 33 17.419 20.510 -2.084 1.00 0.00 C ATOM 552 C PHE A 33 17.149 19.009 -2.133 1.00 0.00 C ATOM 553 O PHE A 33 17.711 18.293 -2.960 1.00 0.00 O ATOM 554 CB PHE A 33 18.714 20.782 -1.317 1.00 0.00 C ATOM 555 CG PHE A 33 19.615 21.774 -1.994 1.00 0.00 C ATOM 556 CD1 PHE A 33 19.423 23.136 -1.821 1.00 0.00 C ATOM 557 CD2 PHE A 33 20.655 21.346 -2.804 1.00 0.00 C ATOM 558 CE1 PHE A 33 20.250 24.051 -2.444 1.00 0.00 C ATOM 559 CE2 PHE A 33 21.485 22.257 -3.430 1.00 0.00 C ATOM 560 CZ PHE A 33 21.283 23.611 -3.248 1.00 0.00 C ATOM 0 H PHE A 33 16.558 21.762 -0.638 1.00 0.00 H new ATOM 0 HA PHE A 33 17.526 20.875 -3.105 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.467 21.149 -0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.253 19.844 -1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.618 23.486 -1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 33 20.819 20.288 -2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.089 25.109 -2.302 1.00 0.00 H new ATOM 0 HE2 PHE A 33 22.290 21.910 -4.061 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.932 24.325 -3.734 1.00 0.00 H new ATOM 570 N ALA A 34 16.284 18.540 -1.239 1.00 0.00 N ATOM 571 CA ALA A 34 15.938 17.125 -1.180 1.00 0.00 C ATOM 572 C ALA A 34 14.786 16.802 -2.126 1.00 0.00 C ATOM 573 O ALA A 34 14.950 16.045 -3.083 1.00 0.00 O ATOM 574 CB ALA A 34 15.580 16.728 0.245 1.00 0.00 C ATOM 0 H ALA A 34 15.810 19.119 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 34 16.808 16.550 -1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.324 15.669 0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.432 16.913 0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.728 17.317 0.584 1.00 0.00 H new ATOM 580 N ARG A 35 13.621 17.380 -1.852 1.00 0.00 N ATOM 581 CA ARG A 35 12.442 17.152 -2.678 1.00 0.00 C ATOM 582 C ARG A 35 12.735 17.466 -4.142 1.00 0.00 C ATOM 583 O ARG A 35 12.368 16.703 -5.035 1.00 0.00 O ATOM 584 CB ARG A 35 11.274 18.009 -2.185 1.00 0.00 C ATOM 585 CG ARG A 35 11.596 19.493 -2.113 1.00 0.00 C ATOM 586 CD ARG A 35 10.496 20.267 -1.402 1.00 0.00 C ATOM 587 NE ARG A 35 10.916 20.726 -0.081 1.00 0.00 N ATOM 588 CZ ARG A 35 10.309 21.702 0.585 1.00 0.00 C ATOM 589 NH1 ARG A 35 9.262 22.318 0.056 1.00 0.00 N ATOM 590 NH2 ARG A 35 10.750 22.063 1.783 1.00 0.00 N ATOM 0 H ARG A 35 13.469 18.010 -1.064 1.00 0.00 H new ATOM 0 HA ARG A 35 12.171 16.099 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.421 17.862 -2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.972 17.663 -1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.541 19.637 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.727 19.887 -3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.206 21.125 -2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.614 19.634 -1.302 1.00 0.00 H new ATOM 0 HE ARG A 35 11.719 20.272 0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.920 22.043 -0.865 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.798 23.067 0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.556 21.591 2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.283 22.813 2.294 1.00 0.00 H new ATOM 604 N GLU A 36 13.397 18.594 -4.379 1.00 0.00 N ATOM 605 CA GLU A 36 13.737 19.008 -5.735 1.00 0.00 C ATOM 606 C GLU A 36 14.686 18.008 -6.388 1.00 0.00 C ATOM 607 O GLU A 36 14.749 17.904 -7.613 1.00 0.00 O ATOM 608 CB GLU A 36 14.375 20.399 -5.723 1.00 0.00 C ATOM 609 CG GLU A 36 14.671 20.946 -7.109 1.00 0.00 C ATOM 610 CD GLU A 36 15.297 22.327 -7.070 1.00 0.00 C ATOM 611 OE1 GLU A 36 14.924 23.121 -6.182 1.00 0.00 O ATOM 612 OE2 GLU A 36 16.158 22.612 -7.928 1.00 0.00 O ATOM 0 H GLU A 36 13.708 19.237 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 36 12.816 19.043 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.711 21.090 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.303 20.359 -5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.341 20.262 -7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.746 20.986 -7.685 1.00 0.00 H new ATOM 619 N ARG A 37 15.423 17.274 -5.561 1.00 0.00 N ATOM 620 CA ARG A 37 16.371 16.283 -6.056 1.00 0.00 C ATOM 621 C ARG A 37 15.652 15.002 -6.470 1.00 0.00 C ATOM 622 O ARG A 37 15.663 14.621 -7.640 1.00 0.00 O ATOM 623 CB ARG A 37 17.419 15.969 -4.988 1.00 0.00 C ATOM 624 CG ARG A 37 18.458 14.953 -5.433 1.00 0.00 C ATOM 625 CD ARG A 37 18.825 14.001 -4.305 1.00 0.00 C ATOM 626 NE ARG A 37 20.068 13.284 -4.577 1.00 0.00 N ATOM 627 CZ ARG A 37 20.140 12.206 -5.350 1.00 0.00 C ATOM 628 NH1 ARG A 37 19.047 11.724 -5.925 1.00 0.00 N ATOM 629 NH2 ARG A 37 21.308 11.608 -5.550 1.00 0.00 N ATOM 0 H ARG A 37 15.382 17.347 -4.544 1.00 0.00 H new ATOM 0 HA ARG A 37 16.869 16.700 -6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 37 17.924 16.892 -4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.916 15.595 -4.097 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.073 14.385 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.352 15.472 -5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.926 14.562 -3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.017 13.284 -4.159 1.00 0.00 H new ATOM 0 HE ARG A 37 20.928 13.630 -4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 37 18.148 12.181 -5.774 1.00 0.00 H new ATOM 0 HH12 ARG A 37 19.105 10.896 -6.518 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.151 11.976 -5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 37 21.362 10.780 -6.144 1.00 0.00 H new ATOM 643 N VAL A 38 15.027 14.341 -5.500 1.00 0.00 N ATOM 644 CA VAL A 38 14.302 13.104 -5.763 1.00 0.00 C ATOM 645 C VAL A 38 13.277 13.293 -6.875 1.00 0.00 C ATOM 646 O VAL A 38 12.894 12.337 -7.549 1.00 0.00 O ATOM 647 CB VAL A 38 13.584 12.595 -4.499 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.574 11.936 -3.551 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.850 13.734 -3.809 1.00 0.00 C ATOM 0 H VAL A 38 15.009 14.642 -4.526 1.00 0.00 H new ATOM 0 HA VAL A 38 15.040 12.365 -6.075 1.00 0.00 H new ATOM 0 HB VAL A 38 12.849 11.847 -4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.048 11.583 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.050 11.092 -4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.334 12.660 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.348 13.357 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.564 14.507 -3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.111 14.156 -4.490 1.00 0.00 H new ATOM 659 N ALA A 39 12.836 14.533 -7.062 1.00 0.00 N ATOM 660 CA ALA A 39 11.857 14.849 -8.094 1.00 0.00 C ATOM 661 C ALA A 39 12.350 14.413 -9.470 1.00 0.00 C ATOM 662 O ALA A 39 11.554 14.088 -10.351 1.00 0.00 O ATOM 663 CB ALA A 39 11.547 16.338 -8.090 1.00 0.00 C ATOM 0 H ALA A 39 13.142 15.335 -6.511 1.00 0.00 H new ATOM 0 HA ALA A 39 10.943 14.299 -7.873 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.814 16.559 -8.866 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.144 16.623 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.461 16.900 -8.283 1.00 0.00 H new ATOM 669 N ASP A 40 13.666 14.408 -9.647 1.00 0.00 N ATOM 670 CA ASP A 40 14.266 14.011 -10.917 1.00 0.00 C ATOM 671 C ASP A 40 14.441 12.498 -10.985 1.00 0.00 C ATOM 672 O ASP A 40 14.657 11.937 -12.059 1.00 0.00 O ATOM 673 CB ASP A 40 15.616 14.703 -11.105 1.00 0.00 C ATOM 674 CG ASP A 40 16.032 14.773 -12.562 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.165 15.057 -13.414 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.226 14.545 -12.849 1.00 0.00 O ATOM 0 H ASP A 40 14.339 14.674 -8.928 1.00 0.00 H new ATOM 0 HA ASP A 40 13.595 14.317 -11.720 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.564 15.712 -10.696 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.378 14.168 -10.538 1.00 0.00 H new ATOM 681 N GLN A 41 14.349 11.844 -9.832 1.00 0.00 N ATOM 682 CA GLN A 41 14.500 10.395 -9.761 1.00 0.00 C ATOM 683 C GLN A 41 13.223 9.692 -10.210 1.00 0.00 C ATOM 684 O GLN A 41 13.257 8.813 -11.072 1.00 0.00 O ATOM 685 CB GLN A 41 14.859 9.967 -8.337 1.00 0.00 C ATOM 686 CG GLN A 41 16.270 10.352 -7.923 1.00 0.00 C ATOM 687 CD GLN A 41 17.304 9.333 -8.360 1.00 0.00 C ATOM 688 OE1 GLN A 41 17.866 9.431 -9.452 1.00 0.00 O ATOM 689 NE2 GLN A 41 17.562 8.348 -7.508 1.00 0.00 N ATOM 0 H GLN A 41 14.171 12.294 -8.934 1.00 0.00 H new ATOM 0 HA GLN A 41 15.308 10.106 -10.433 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.150 10.417 -7.642 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.747 8.886 -8.252 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.518 11.323 -8.352 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.309 10.462 -6.839 1.00 0.00 H new ATOM 0 HE21 GLN A 41 17.073 8.306 -6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 41 18.249 7.634 -7.747 1.00 0.00 H new ATOM 698 N ILE A 42 12.099 10.085 -9.620 1.00 0.00 N ATOM 699 CA ILE A 42 10.812 9.493 -9.960 1.00 0.00 C ATOM 700 C ILE A 42 10.134 10.262 -11.090 1.00 0.00 C ATOM 701 O ILE A 42 9.097 9.843 -11.605 1.00 0.00 O ATOM 702 CB ILE A 42 9.870 9.455 -8.742 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.257 10.836 -8.502 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.620 8.981 -7.507 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.190 10.846 -7.429 1.00 0.00 C ATOM 0 H ILE A 42 12.054 10.811 -8.905 1.00 0.00 H new ATOM 0 HA ILE A 42 11.011 8.472 -10.287 1.00 0.00 H new ATOM 0 HB ILE A 42 9.064 8.750 -8.946 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.048 11.532 -8.223 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.826 11.200 -9.435 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.941 8.960 -6.655 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.014 7.980 -7.682 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.444 9.663 -7.297 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.800 11.857 -7.313 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.380 10.176 -7.715 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.620 10.512 -6.485 1.00 0.00 H new ATOM 717 N ARG A 43 10.728 11.388 -11.471 1.00 0.00 N ATOM 718 CA ARG A 43 10.182 12.215 -12.540 1.00 0.00 C ATOM 719 C ARG A 43 8.883 12.884 -12.100 1.00 0.00 C ATOM 720 O ARG A 43 7.836 12.703 -12.723 1.00 0.00 O ATOM 721 CB ARG A 43 9.935 11.371 -13.791 1.00 0.00 C ATOM 722 CG ARG A 43 10.128 12.137 -15.090 1.00 0.00 C ATOM 723 CD ARG A 43 9.241 13.372 -15.146 1.00 0.00 C ATOM 724 NE ARG A 43 9.414 14.113 -16.392 1.00 0.00 N ATOM 725 CZ ARG A 43 10.474 14.868 -16.657 1.00 0.00 C ATOM 726 NH1 ARG A 43 11.451 14.981 -15.768 1.00 0.00 N ATOM 727 NH2 ARG A 43 10.558 15.513 -17.814 1.00 0.00 N ATOM 0 H ARG A 43 11.587 11.748 -11.055 1.00 0.00 H new ATOM 0 HA ARG A 43 10.910 12.992 -12.772 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.609 10.515 -13.780 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.919 10.977 -13.759 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.172 12.433 -15.187 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.901 11.486 -15.935 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.198 13.074 -15.043 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.471 14.022 -14.302 1.00 0.00 H new ATOM 0 HE ARG A 43 8.681 14.047 -17.098 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.390 14.487 -14.878 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.264 15.562 -15.975 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.808 15.429 -18.500 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.372 16.093 -18.017 1.00 0.00 H new ATOM 741 N LEU A 44 8.957 13.658 -11.022 1.00 0.00 N ATOM 742 CA LEU A 44 7.787 14.354 -10.498 1.00 0.00 C ATOM 743 C LEU A 44 8.151 15.763 -10.042 1.00 0.00 C ATOM 744 O LEU A 44 9.327 16.090 -9.886 1.00 0.00 O ATOM 745 CB LEU A 44 7.182 13.569 -9.333 1.00 0.00 C ATOM 746 CG LEU A 44 5.802 14.028 -8.859 1.00 0.00 C ATOM 747 CD1 LEU A 44 4.816 14.037 -10.016 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.300 13.134 -7.734 1.00 0.00 C ATOM 0 H LEU A 44 9.815 13.819 -10.494 1.00 0.00 H new ATOM 0 HA LEU A 44 7.051 14.430 -11.298 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.114 12.521 -9.624 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.870 13.622 -8.489 1.00 0.00 H new ATOM 0 HG LEU A 44 5.890 15.045 -8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.840 14.366 -9.660 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.169 14.719 -10.789 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.731 13.032 -10.430 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.317 13.475 -7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.228 12.106 -8.090 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.995 13.179 -6.896 1.00 0.00 H new ATOM 760 N GLN A 45 7.134 16.591 -9.827 1.00 0.00 N ATOM 761 CA GLN A 45 7.348 17.965 -9.388 1.00 0.00 C ATOM 762 C GLN A 45 8.156 18.003 -8.095 1.00 0.00 C ATOM 763 O GLN A 45 8.104 17.072 -7.292 1.00 0.00 O ATOM 764 CB GLN A 45 6.007 18.672 -9.185 1.00 0.00 C ATOM 765 CG GLN A 45 5.727 19.752 -10.218 1.00 0.00 C ATOM 766 CD GLN A 45 4.344 20.356 -10.071 1.00 0.00 C ATOM 767 OE1 GLN A 45 3.420 20.007 -10.805 1.00 0.00 O ATOM 768 NE2 GLN A 45 4.195 21.268 -9.117 1.00 0.00 N ATOM 0 H GLN A 45 6.154 16.335 -9.950 1.00 0.00 H new ATOM 0 HA GLN A 45 7.911 18.484 -10.163 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.207 17.932 -9.218 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.987 19.118 -8.191 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.475 20.540 -10.126 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.830 19.329 -11.217 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.989 21.528 -8.531 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.287 21.709 -8.970 1.00 0.00 H new ATOM 777 N GLU A 46 8.904 19.085 -7.902 1.00 0.00 N ATOM 778 CA GLU A 46 9.724 19.243 -6.707 1.00 0.00 C ATOM 779 C GLU A 46 8.853 19.463 -5.474 1.00 0.00 C ATOM 780 O GLU A 46 9.089 18.872 -4.420 1.00 0.00 O ATOM 781 CB GLU A 46 10.692 20.416 -6.877 1.00 0.00 C ATOM 782 CG GLU A 46 10.004 21.728 -7.216 1.00 0.00 C ATOM 783 CD GLU A 46 10.819 22.586 -8.165 1.00 0.00 C ATOM 784 OE1 GLU A 46 12.053 22.658 -7.987 1.00 0.00 O ATOM 785 OE2 GLU A 46 10.223 23.184 -9.084 1.00 0.00 O ATOM 0 H GLU A 46 8.959 19.865 -8.558 1.00 0.00 H new ATOM 0 HA GLU A 46 10.296 18.326 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.263 20.542 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.406 20.176 -7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.033 21.519 -7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.818 22.285 -6.297 1.00 0.00 H new ATOM 792 N SER A 47 7.845 20.317 -5.614 1.00 0.00 N ATOM 793 CA SER A 47 6.940 20.619 -4.511 1.00 0.00 C ATOM 794 C SER A 47 5.875 19.535 -4.369 1.00 0.00 C ATOM 795 O SER A 47 5.274 19.376 -3.306 1.00 0.00 O ATOM 796 CB SER A 47 6.273 21.979 -4.727 1.00 0.00 C ATOM 797 OG SER A 47 5.127 22.122 -3.907 1.00 0.00 O ATOM 0 H SER A 47 7.634 20.812 -6.480 1.00 0.00 H new ATOM 0 HA SER A 47 7.526 20.652 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.984 22.775 -4.506 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.990 22.086 -5.774 1.00 0.00 H new ATOM 0 HG SER A 47 4.721 23.000 -4.063 1.00 0.00 H new ATOM 803 N ARG A 48 5.648 18.793 -5.447 1.00 0.00 N ATOM 804 CA ARG A 48 4.656 17.725 -5.445 1.00 0.00 C ATOM 805 C ARG A 48 5.205 16.475 -4.763 1.00 0.00 C ATOM 806 O ARG A 48 4.537 15.869 -3.925 1.00 0.00 O ATOM 807 CB ARG A 48 4.229 17.393 -6.876 1.00 0.00 C ATOM 808 CG ARG A 48 3.134 16.342 -6.956 1.00 0.00 C ATOM 809 CD ARG A 48 1.997 16.792 -7.861 1.00 0.00 C ATOM 810 NE ARG A 48 2.279 16.524 -9.269 1.00 0.00 N ATOM 811 CZ ARG A 48 1.345 16.498 -10.213 1.00 0.00 C ATOM 812 NH1 ARG A 48 0.076 16.723 -9.902 1.00 0.00 N ATOM 813 NH2 ARG A 48 1.680 16.247 -11.472 1.00 0.00 N ATOM 0 H ARG A 48 6.138 18.912 -6.334 1.00 0.00 H new ATOM 0 HA ARG A 48 3.787 18.071 -4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.883 18.304 -7.364 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.098 17.044 -7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.551 15.408 -7.331 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.748 16.140 -5.957 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.079 16.280 -7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.824 17.859 -7.723 1.00 0.00 H new ATOM 0 HE ARG A 48 3.246 16.347 -9.542 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.186 16.917 -8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.639 16.702 -10.629 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.655 16.074 -11.715 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.962 16.227 -12.196 1.00 0.00 H new ATOM 827 N ILE A 49 6.424 16.095 -5.129 1.00 0.00 N ATOM 828 CA ILE A 49 7.062 14.918 -4.553 1.00 0.00 C ATOM 829 C ILE A 49 7.018 14.959 -3.029 1.00 0.00 C ATOM 830 O ILE A 49 7.052 13.920 -2.370 1.00 0.00 O ATOM 831 CB ILE A 49 8.528 14.792 -5.009 1.00 0.00 C ATOM 832 CG1 ILE A 49 8.911 13.319 -5.168 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.453 15.480 -4.016 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.304 13.113 -5.721 1.00 0.00 C ATOM 0 H ILE A 49 6.990 16.585 -5.822 1.00 0.00 H new ATOM 0 HA ILE A 49 6.504 14.052 -4.908 1.00 0.00 H new ATOM 0 HB ILE A 49 8.635 15.283 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.837 12.826 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.192 12.834 -5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.485 15.382 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.192 16.536 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.345 15.015 -3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.507 12.046 -5.807 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.377 13.577 -6.705 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.033 13.568 -5.050 1.00 0.00 H new ATOM 846 N GLN A 50 6.939 16.165 -2.477 1.00 0.00 N ATOM 847 CA GLN A 50 6.888 16.341 -1.031 1.00 0.00 C ATOM 848 C GLN A 50 5.768 15.505 -0.420 1.00 0.00 C ATOM 849 O GLN A 50 5.936 14.904 0.641 1.00 0.00 O ATOM 850 CB GLN A 50 6.687 17.817 -0.682 1.00 0.00 C ATOM 851 CG GLN A 50 7.742 18.368 0.264 1.00 0.00 C ATOM 852 CD GLN A 50 7.526 19.833 0.590 1.00 0.00 C ATOM 853 OE1 GLN A 50 7.006 20.592 -0.228 1.00 0.00 O ATOM 854 NE2 GLN A 50 7.925 20.237 1.790 1.00 0.00 N ATOM 0 H GLN A 50 6.909 17.035 -3.009 1.00 0.00 H new ATOM 0 HA GLN A 50 7.837 16.003 -0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.693 18.403 -1.601 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.703 17.944 -0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.734 17.789 1.188 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.728 18.241 -0.183 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.351 19.573 2.436 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.805 21.212 2.066 1.00 0.00 H new ATOM 863 N VAL A 51 4.624 15.471 -1.097 1.00 0.00 N ATOM 864 CA VAL A 51 3.477 14.708 -0.621 1.00 0.00 C ATOM 865 C VAL A 51 3.764 13.211 -0.644 1.00 0.00 C ATOM 866 O VAL A 51 3.244 12.456 0.178 1.00 0.00 O ATOM 867 CB VAL A 51 2.223 14.992 -1.470 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.030 16.489 -1.654 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.322 14.289 -2.816 1.00 0.00 C ATOM 0 H VAL A 51 4.468 15.963 -1.977 1.00 0.00 H new ATOM 0 HA VAL A 51 3.291 15.023 0.406 1.00 0.00 H new ATOM 0 HB VAL A 51 1.352 14.600 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.140 16.670 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.912 16.963 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.900 16.909 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.428 14.500 -3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.201 14.649 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.408 13.214 -2.659 1.00 0.00 H new ATOM 879 N TRP A 52 4.596 12.789 -1.588 1.00 0.00 N ATOM 880 CA TRP A 52 4.954 11.381 -1.718 1.00 0.00 C ATOM 881 C TRP A 52 6.086 11.017 -0.763 1.00 0.00 C ATOM 882 O TRP A 52 6.297 9.844 -0.454 1.00 0.00 O ATOM 883 CB TRP A 52 5.364 11.068 -3.158 1.00 0.00 C ATOM 884 CG TRP A 52 4.500 10.031 -3.810 1.00 0.00 C ATOM 885 CD1 TRP A 52 4.718 8.684 -3.841 1.00 0.00 C ATOM 886 CD2 TRP A 52 3.281 10.259 -4.526 1.00 0.00 C ATOM 887 NE1 TRP A 52 3.708 8.060 -4.533 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.814 9.004 -4.963 1.00 0.00 C ATOM 889 CE3 TRP A 52 2.538 11.401 -4.839 1.00 0.00 C ATOM 890 CZ2 TRP A 52 1.639 8.862 -5.696 1.00 0.00 C ATOM 891 CZ3 TRP A 52 1.372 11.258 -5.567 1.00 0.00 C ATOM 892 CH2 TRP A 52 0.931 9.996 -5.989 1.00 0.00 C ATOM 0 H TRP A 52 5.036 13.401 -2.275 1.00 0.00 H new ATOM 0 HA TRP A 52 4.079 10.784 -1.459 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.326 11.985 -3.746 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.399 10.726 -3.167 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.560 8.182 -3.388 1.00 0.00 H new ATOM 0 HE1 TRP A 52 3.636 7.056 -4.699 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.869 12.377 -4.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.298 7.891 -6.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.791 12.134 -5.815 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.015 9.917 -6.556 1.00 0.00 H new ATOM 903 N PHE A 53 6.812 12.029 -0.299 1.00 0.00 N ATOM 904 CA PHE A 53 7.923 11.814 0.620 1.00 0.00 C ATOM 905 C PHE A 53 7.454 11.096 1.882 1.00 0.00 C ATOM 906 O PHE A 53 8.254 10.504 2.607 1.00 0.00 O ATOM 907 CB PHE A 53 8.571 13.150 0.991 1.00 0.00 C ATOM 908 CG PHE A 53 9.677 13.020 1.998 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.741 12.162 1.772 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.654 13.757 3.172 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.760 12.040 2.697 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.671 13.640 4.101 1.00 0.00 C ATOM 913 CZ PHE A 53 11.726 12.781 3.863 1.00 0.00 C ATOM 0 H PHE A 53 6.651 13.006 -0.544 1.00 0.00 H new ATOM 0 HA PHE A 53 8.660 11.187 0.119 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.965 13.617 0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.806 13.818 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.774 11.582 0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.832 14.431 3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.583 11.366 2.509 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.641 14.220 5.012 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.523 12.689 4.586 1.00 0.00 H new ATOM 923 N LYS A 54 6.152 11.152 2.138 1.00 0.00 N ATOM 924 CA LYS A 54 5.574 10.507 3.311 1.00 0.00 C ATOM 925 C LYS A 54 5.197 9.061 3.007 1.00 0.00 C ATOM 926 O LYS A 54 4.983 8.261 3.916 1.00 0.00 O ATOM 927 CB LYS A 54 4.339 11.277 3.786 1.00 0.00 C ATOM 928 CG LYS A 54 4.231 11.381 5.297 1.00 0.00 C ATOM 929 CD LYS A 54 2.823 11.071 5.778 1.00 0.00 C ATOM 930 CE LYS A 54 2.026 12.342 6.026 1.00 0.00 C ATOM 931 NZ LYS A 54 2.239 12.870 7.403 1.00 0.00 N ATOM 0 H LYS A 54 5.476 11.638 1.548 1.00 0.00 H new ATOM 0 HA LYS A 54 6.324 10.510 4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.362 12.281 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.445 10.788 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.935 10.691 5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.512 12.385 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.311 10.458 5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.872 10.486 6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.315 13.100 5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.965 12.141 5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.679 13.737 7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.940 12.157 8.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.247 13.086 7.540 1.00 0.00 H new ATOM 945 N ASN A 55 5.120 8.732 1.721 1.00 0.00 N ATOM 946 CA ASN A 55 4.770 7.381 1.297 1.00 0.00 C ATOM 947 C ASN A 55 5.433 6.341 2.195 1.00 0.00 C ATOM 948 O ASN A 55 4.765 5.668 2.980 1.00 0.00 O ATOM 949 CB ASN A 55 5.188 7.157 -0.158 1.00 0.00 C ATOM 950 CG ASN A 55 5.145 5.693 -0.552 1.00 0.00 C ATOM 951 OD1 ASN A 55 6.104 5.162 -1.112 1.00 0.00 O ATOM 952 ND2 ASN A 55 4.030 5.034 -0.261 1.00 0.00 N ATOM 0 H ASN A 55 5.295 9.382 0.955 1.00 0.00 H new ATOM 0 HA ASN A 55 3.689 7.269 1.379 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.530 7.727 -0.814 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.197 7.541 -0.307 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.943 4.047 -0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.260 5.515 0.204 1.00 0.00 H new ATOM 959 N ARG A 56 6.750 6.216 2.073 1.00 0.00 N ATOM 960 CA ARG A 56 7.504 5.257 2.872 1.00 0.00 C ATOM 961 C ARG A 56 7.891 5.859 4.220 1.00 0.00 C ATOM 962 O ARG A 56 7.834 5.187 5.250 1.00 0.00 O ATOM 963 CB ARG A 56 8.759 4.810 2.122 1.00 0.00 C ATOM 964 CG ARG A 56 9.247 3.426 2.520 1.00 0.00 C ATOM 965 CD ARG A 56 10.675 3.468 3.040 1.00 0.00 C ATOM 966 NE ARG A 56 10.945 2.386 3.984 1.00 0.00 N ATOM 967 CZ ARG A 56 12.120 2.205 4.578 1.00 0.00 C ATOM 968 NH1 ARG A 56 13.127 3.031 4.328 1.00 0.00 N ATOM 969 NH2 ARG A 56 12.288 1.198 5.425 1.00 0.00 N ATOM 0 H ARG A 56 7.317 6.767 1.429 1.00 0.00 H new ATOM 0 HA ARG A 56 6.868 4.390 3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.555 4.820 1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.556 5.532 2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.591 3.014 3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.191 2.758 1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.368 3.399 2.202 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.856 4.427 3.526 1.00 0.00 H new ATOM 0 HE ARG A 56 10.191 1.734 4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.001 3.807 3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.028 2.890 4.785 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.515 0.562 5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.190 1.060 5.880 1.00 0.00 H new ATOM 983 N ARG A 57 8.286 7.128 4.204 1.00 0.00 N ATOM 984 CA ARG A 57 8.685 7.819 5.424 1.00 0.00 C ATOM 985 C ARG A 57 7.647 7.620 6.525 1.00 0.00 C ATOM 986 O ARG A 57 7.981 7.602 7.710 1.00 0.00 O ATOM 987 CB ARG A 57 8.874 9.312 5.151 1.00 0.00 C ATOM 988 CG ARG A 57 9.148 10.130 6.402 1.00 0.00 C ATOM 989 CD ARG A 57 7.884 10.805 6.914 1.00 0.00 C ATOM 990 NE ARG A 57 8.177 12.039 7.637 1.00 0.00 N ATOM 991 CZ ARG A 57 7.281 12.691 8.370 1.00 0.00 C ATOM 992 NH1 ARG A 57 6.043 12.229 8.476 1.00 0.00 N ATOM 993 NH2 ARG A 57 7.624 13.808 8.999 1.00 0.00 N ATOM 0 H ARG A 57 8.338 7.698 3.360 1.00 0.00 H new ATOM 0 HA ARG A 57 9.632 7.395 5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.701 9.443 4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.980 9.699 4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.557 9.484 7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.903 10.886 6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.225 11.025 6.074 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.347 10.119 7.570 1.00 0.00 H new ATOM 0 HE ARG A 57 9.121 12.421 7.576 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.776 11.371 7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.357 12.732 9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.576 14.166 8.920 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.936 14.308 9.562 1.00 0.00 H new ATOM 1007 N ALA A 58 6.389 7.472 6.126 1.00 0.00 N ATOM 1008 CA ALA A 58 5.303 7.274 7.078 1.00 0.00 C ATOM 1009 C ALA A 58 5.109 5.793 7.388 1.00 0.00 C ATOM 1010 O ALA A 58 4.743 5.425 8.504 1.00 0.00 O ATOM 1011 CB ALA A 58 4.013 7.876 6.541 1.00 0.00 C ATOM 0 H ALA A 58 6.096 7.485 5.149 1.00 0.00 H new ATOM 0 HA ALA A 58 5.569 7.781 8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.211 7.720 7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.151 8.945 6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.752 7.395 5.599 1.00 0.00 H new ATOM 1017 N LYS A 59 5.355 4.948 6.393 1.00 0.00 N ATOM 1018 CA LYS A 59 5.208 3.507 6.558 1.00 0.00 C ATOM 1019 C LYS A 59 6.078 2.999 7.704 1.00 0.00 C ATOM 1020 O LYS A 59 5.826 1.930 8.261 1.00 0.00 O ATOM 1021 CB LYS A 59 5.581 2.783 5.262 1.00 0.00 C ATOM 1022 CG LYS A 59 4.388 2.191 4.532 1.00 0.00 C ATOM 1023 CD LYS A 59 3.338 3.248 4.230 1.00 0.00 C ATOM 1024 CE LYS A 59 2.965 3.258 2.756 1.00 0.00 C ATOM 1025 NZ LYS A 59 1.672 3.956 2.516 1.00 0.00 N ATOM 0 H LYS A 59 5.657 5.237 5.463 1.00 0.00 H new ATOM 0 HA LYS A 59 4.165 3.299 6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.092 3.482 4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.288 1.986 5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.721 1.732 3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.946 1.400 5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.448 3.060 4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.715 4.229 4.518 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.754 3.748 2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.898 2.233 2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.453 3.941 1.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.914 3.474 3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.744 4.942 2.840 1.00 0.00 H new ATOM 1039 N TYR A 60 7.100 3.773 8.053 1.00 0.00 N ATOM 1040 CA TYR A 60 8.007 3.401 9.132 1.00 0.00 C ATOM 1041 C TYR A 60 7.231 3.032 10.393 1.00 0.00 C ATOM 1042 O TYR A 60 7.682 2.216 11.196 1.00 0.00 O ATOM 1043 CB TYR A 60 8.973 4.548 9.432 1.00 0.00 C ATOM 1044 CG TYR A 60 8.465 5.509 10.483 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.383 6.342 10.225 1.00 0.00 C ATOM 1046 CD2 TYR A 60 9.068 5.585 11.732 1.00 0.00 C ATOM 1047 CE1 TYR A 60 6.916 7.222 11.182 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.606 6.461 12.696 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.531 7.278 12.416 1.00 0.00 C ATOM 1050 OH TYR A 60 7.069 8.153 13.372 1.00 0.00 O ATOM 0 H TYR A 60 7.321 4.662 7.604 1.00 0.00 H new ATOM 0 HA TYR A 60 8.577 2.529 8.810 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.925 4.133 9.762 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.167 5.099 8.512 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.899 6.301 9.260 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.912 4.949 11.954 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.074 7.863 10.966 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.084 6.505 13.663 1.00 0.00 H new ATOM 0 HH TYR A 60 7.611 8.066 14.184 1.00 0.00 H new ATOM 1060 N ARG A 61 6.060 3.639 10.558 1.00 0.00 N ATOM 1061 CA ARG A 61 5.221 3.376 11.721 1.00 0.00 C ATOM 1062 C ARG A 61 4.391 2.112 11.517 1.00 0.00 C ATOM 1063 O ARG A 61 4.113 1.379 12.467 1.00 0.00 O ATOM 1064 CB ARG A 61 4.298 4.566 11.990 1.00 0.00 C ATOM 1065 CG ARG A 61 3.111 4.642 11.044 1.00 0.00 C ATOM 1066 CD ARG A 61 2.529 6.046 10.992 1.00 0.00 C ATOM 1067 NE ARG A 61 3.486 7.017 10.468 1.00 0.00 N ATOM 1068 CZ ARG A 61 3.236 8.318 10.373 1.00 0.00 C ATOM 1069 NH1 ARG A 61 2.066 8.802 10.766 1.00 0.00 N ATOM 1070 NH2 ARG A 61 4.158 9.138 9.885 1.00 0.00 N ATOM 0 H ARG A 61 5.671 4.316 9.901 1.00 0.00 H new ATOM 0 HA ARG A 61 5.873 3.228 12.582 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.932 4.506 13.015 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.875 5.488 11.911 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.421 4.338 10.044 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.342 3.940 11.366 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.635 6.045 10.368 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.219 6.347 11.993 1.00 0.00 H new ATOM 0 HE ARG A 61 4.396 6.677 10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.355 8.175 11.142 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.877 9.802 10.692 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.060 8.769 9.582 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.965 10.137 9.812 1.00 0.00 H new ATOM 1084 N LEU A 62 4.000 1.861 10.273 1.00 0.00 N ATOM 1085 CA LEU A 62 3.201 0.686 9.944 1.00 0.00 C ATOM 1086 C LEU A 62 4.042 -0.584 10.028 1.00 0.00 C ATOM 1087 O LEU A 62 3.571 -1.621 10.497 1.00 0.00 O ATOM 1088 CB LEU A 62 2.607 0.824 8.541 1.00 0.00 C ATOM 1089 CG LEU A 62 1.265 0.128 8.309 1.00 0.00 C ATOM 1090 CD1 LEU A 62 1.381 -1.361 8.594 1.00 0.00 C ATOM 1091 CD2 LEU A 62 0.182 0.756 9.173 1.00 0.00 C ATOM 0 H LEU A 62 4.223 2.456 9.475 1.00 0.00 H new ATOM 0 HA LEU A 62 2.391 0.614 10.670 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.486 1.885 8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.327 0.430 7.823 1.00 0.00 H new ATOM 0 HG LEU A 62 0.986 0.256 7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.417 -1.840 8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.127 -1.801 7.932 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.683 -1.511 9.631 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.766 0.248 8.995 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.453 0.659 10.224 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.081 1.811 8.920 1.00 0.00 H new