USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=6 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 Set 1.1: A 55 ASN : amide:sc= -0.307 X(o=0.43,f=0.43) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -177:sc= 0.734 (180deg=0.712) USER MOD Single : A 15 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.21) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 77:sc= 0.888 USER MOD Single : A 25 ASN : amide:sc= -0.0075 X(o=-0.0075,f=0) USER MOD Single : A 27 THR OG1 : rot -122:sc= -0.935 USER MOD Single : A 28 GLN : amide:sc= -0.745 K(o=-0.75,f=-2.1!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.012) USER MOD Single : A 45 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.51) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.47 K(o=-1.5,f=-2) USER MOD Single : A 54 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 9.273 1.408 -8.329 1.00 0.00 N ATOM 230 CA ARG A 14 10.023 1.669 -7.107 1.00 0.00 C ATOM 231 C ARG A 14 10.283 3.163 -6.937 1.00 0.00 C ATOM 232 O ARG A 14 10.599 3.627 -5.842 1.00 0.00 O ATOM 233 CB ARG A 14 11.351 0.909 -7.125 1.00 0.00 C ATOM 234 CG ARG A 14 12.238 1.262 -8.307 1.00 0.00 C ATOM 235 CD ARG A 14 12.168 0.200 -9.394 1.00 0.00 C ATOM 236 NE ARG A 14 13.441 0.045 -10.092 1.00 0.00 N ATOM 237 CZ ARG A 14 14.477 -0.618 -9.591 1.00 0.00 C ATOM 238 NH1 ARG A 14 14.391 -1.185 -8.396 1.00 0.00 N ATOM 239 NH2 ARG A 14 15.603 -0.715 -10.287 1.00 0.00 N ATOM 0 HA ARG A 14 9.425 1.323 -6.264 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.891 1.116 -6.201 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.147 -0.162 -7.141 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.933 2.225 -8.717 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.269 1.371 -7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.879 -0.753 -8.951 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.392 0.466 -10.111 1.00 0.00 H new ATOM 0 HE ARG A 14 13.540 0.469 -11.014 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.527 -1.113 -7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.189 -1.693 -8.014 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.673 -0.280 -11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.398 -1.224 -9.902 1.00 0.00 H new ATOM 253 N GLN A 15 10.147 3.910 -8.028 1.00 0.00 N ATOM 254 CA GLN A 15 10.368 5.351 -7.999 1.00 0.00 C ATOM 255 C GLN A 15 9.616 5.994 -6.839 1.00 0.00 C ATOM 256 O GLN A 15 10.189 6.759 -6.064 1.00 0.00 O ATOM 257 CB GLN A 15 9.927 5.982 -9.321 1.00 0.00 C ATOM 258 CG GLN A 15 10.818 5.618 -10.497 1.00 0.00 C ATOM 259 CD GLN A 15 10.285 4.442 -11.291 1.00 0.00 C ATOM 260 OE1 GLN A 15 9.287 4.559 -12.002 1.00 0.00 O ATOM 261 NE2 GLN A 15 10.950 3.298 -11.174 1.00 0.00 N ATOM 0 H GLN A 15 9.885 3.541 -8.942 1.00 0.00 H new ATOM 0 HA GLN A 15 11.434 5.527 -7.858 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.906 5.670 -9.540 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.912 7.066 -9.209 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.915 6.481 -11.155 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.817 5.382 -10.131 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.773 3.245 -10.573 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.638 2.472 -11.685 1.00 0.00 H new ATOM 270 N GLN A 16 8.330 5.678 -6.726 1.00 0.00 N ATOM 271 CA GLN A 16 7.500 6.226 -5.660 1.00 0.00 C ATOM 272 C GLN A 16 8.118 5.953 -4.293 1.00 0.00 C ATOM 273 O GLN A 16 7.993 6.761 -3.371 1.00 0.00 O ATOM 274 CB GLN A 16 6.092 5.632 -5.724 1.00 0.00 C ATOM 275 CG GLN A 16 5.354 5.951 -7.015 1.00 0.00 C ATOM 276 CD GLN A 16 5.052 4.713 -7.836 1.00 0.00 C ATOM 277 OE1 GLN A 16 4.129 3.959 -7.525 1.00 0.00 O ATOM 278 NE2 GLN A 16 5.829 4.498 -8.891 1.00 0.00 N ATOM 0 H GLN A 16 7.841 5.046 -7.359 1.00 0.00 H new ATOM 0 HA GLN A 16 7.438 7.305 -5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.158 4.550 -5.611 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.511 6.006 -4.881 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.421 6.462 -6.779 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.953 6.640 -7.611 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.582 5.150 -9.111 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.673 3.681 -9.482 1.00 0.00 H new ATOM 287 N LEU A 17 8.784 4.811 -4.168 1.00 0.00 N ATOM 288 CA LEU A 17 9.423 4.431 -2.913 1.00 0.00 C ATOM 289 C LEU A 17 10.856 4.950 -2.851 1.00 0.00 C ATOM 290 O LEU A 17 11.495 4.911 -1.801 1.00 0.00 O ATOM 291 CB LEU A 17 9.413 2.909 -2.753 1.00 0.00 C ATOM 292 CG LEU A 17 8.045 2.268 -2.517 1.00 0.00 C ATOM 293 CD1 LEU A 17 7.877 1.033 -3.388 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.868 1.915 -1.048 1.00 0.00 C ATOM 0 H LEU A 17 8.896 4.132 -4.921 1.00 0.00 H new ATOM 0 HA LEU A 17 8.858 4.881 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.850 2.467 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.064 2.647 -1.919 1.00 0.00 H new ATOM 0 HG LEU A 17 7.275 2.989 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.898 0.590 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.959 1.314 -4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.654 0.308 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.889 1.460 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.645 1.212 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.943 2.820 -0.445 1.00 0.00 H new ATOM 306 N GLU A 18 11.352 5.438 -3.984 1.00 0.00 N ATOM 307 CA GLU A 18 12.709 5.967 -4.057 1.00 0.00 C ATOM 308 C GLU A 18 12.808 7.313 -3.345 1.00 0.00 C ATOM 309 O GLU A 18 13.779 7.583 -2.637 1.00 0.00 O ATOM 310 CB GLU A 18 13.144 6.117 -5.517 1.00 0.00 C ATOM 311 CG GLU A 18 13.473 4.797 -6.192 1.00 0.00 C ATOM 312 CD GLU A 18 14.568 4.931 -7.232 1.00 0.00 C ATOM 313 OE1 GLU A 18 14.287 5.465 -8.325 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.707 4.501 -6.952 1.00 0.00 O ATOM 0 H GLU A 18 10.835 5.478 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 18 13.373 5.262 -3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.350 6.613 -6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.018 6.766 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.781 4.074 -5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.574 4.401 -6.665 1.00 0.00 H new ATOM 321 N ILE A 19 11.796 8.153 -3.537 1.00 0.00 N ATOM 322 CA ILE A 19 11.769 9.470 -2.914 1.00 0.00 C ATOM 323 C ILE A 19 12.190 9.394 -1.450 1.00 0.00 C ATOM 324 O ILE A 19 12.887 10.276 -0.946 1.00 0.00 O ATOM 325 CB ILE A 19 10.368 10.105 -3.000 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.860 10.077 -4.444 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.399 11.531 -2.471 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.660 9.179 -4.645 1.00 0.00 C ATOM 0 H ILE A 19 10.985 7.945 -4.119 1.00 0.00 H new ATOM 0 HA ILE A 19 12.476 10.093 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 19 9.683 9.524 -2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.600 11.091 -4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.666 9.744 -5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.402 11.966 -2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.723 11.526 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.094 12.124 -3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.355 9.208 -5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.921 8.157 -4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.838 9.524 -4.017 1.00 0.00 H new ATOM 340 N LEU A 20 11.765 8.334 -0.772 1.00 0.00 N ATOM 341 CA LEU A 20 12.100 8.140 0.635 1.00 0.00 C ATOM 342 C LEU A 20 13.342 7.267 0.784 1.00 0.00 C ATOM 343 O LEU A 20 14.362 7.708 1.311 1.00 0.00 O ATOM 344 CB LEU A 20 10.923 7.504 1.376 1.00 0.00 C ATOM 345 CG LEU A 20 9.544 7.706 0.746 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.336 9.166 0.374 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.381 6.814 -0.475 1.00 0.00 C ATOM 0 H LEU A 20 11.188 7.595 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 20 12.311 9.116 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.108 6.433 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.899 7.904 2.390 1.00 0.00 H new ATOM 0 HG LEU A 20 8.786 7.428 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.350 9.291 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.410 9.784 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.100 9.472 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.394 6.970 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.146 7.061 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.486 5.770 -0.180 1.00 0.00 H new ATOM 359 N GLU A 21 13.247 6.027 0.314 1.00 0.00 N ATOM 360 CA GLU A 21 14.363 5.093 0.394 1.00 0.00 C ATOM 361 C GLU A 21 15.673 5.775 0.008 1.00 0.00 C ATOM 362 O GLU A 21 16.746 5.396 0.476 1.00 0.00 O ATOM 363 CB GLU A 21 14.116 3.888 -0.515 1.00 0.00 C ATOM 364 CG GLU A 21 14.535 2.564 0.101 1.00 0.00 C ATOM 365 CD GLU A 21 16.003 2.536 0.480 1.00 0.00 C ATOM 366 OE1 GLU A 21 16.845 2.873 -0.378 1.00 0.00 O ATOM 367 OE2 GLU A 21 16.309 2.176 1.636 1.00 0.00 O ATOM 0 H GLU A 21 12.409 5.647 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 21 14.442 4.750 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.056 3.843 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.658 4.032 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.931 2.373 0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.330 1.758 -0.604 1.00 0.00 H new ATOM 374 N THR A 22 15.576 6.785 -0.852 1.00 0.00 N ATOM 375 CA THR A 22 16.750 7.519 -1.304 1.00 0.00 C ATOM 376 C THR A 22 17.013 8.734 -0.420 1.00 0.00 C ATOM 377 O THR A 22 18.120 8.916 0.089 1.00 0.00 O ATOM 378 CB THR A 22 16.595 7.985 -2.764 1.00 0.00 C ATOM 379 OG1 THR A 22 16.150 6.896 -3.581 1.00 0.00 O ATOM 380 CG2 THR A 22 17.910 8.526 -3.303 1.00 0.00 C ATOM 0 H THR A 22 14.695 7.113 -1.249 1.00 0.00 H new ATOM 0 HA THR A 22 17.595 6.834 -1.237 1.00 0.00 H new ATOM 0 HB THR A 22 15.855 8.785 -2.790 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.191 6.750 -3.438 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.775 8.849 -4.335 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.231 9.373 -2.697 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.669 7.744 -3.264 1.00 0.00 H new ATOM 388 N LEU A 23 15.990 9.561 -0.241 1.00 0.00 N ATOM 389 CA LEU A 23 16.110 10.759 0.583 1.00 0.00 C ATOM 390 C LEU A 23 16.128 10.401 2.066 1.00 0.00 C ATOM 391 O LEU A 23 17.129 10.607 2.753 1.00 0.00 O ATOM 392 CB LEU A 23 14.955 11.720 0.293 1.00 0.00 C ATOM 393 CG LEU A 23 15.110 13.140 0.839 1.00 0.00 C ATOM 394 CD1 LEU A 23 14.143 14.086 0.144 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.890 13.159 2.344 1.00 0.00 C ATOM 0 H LEU A 23 15.068 9.425 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 23 17.052 11.247 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.821 11.780 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.041 11.292 0.704 1.00 0.00 H new ATOM 0 HG LEU A 23 16.126 13.479 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.267 15.092 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.348 14.094 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.120 13.751 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.004 14.177 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.885 12.801 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.623 12.512 2.827 1.00 0.00 H new ATOM 407 N PHE A 24 15.016 9.860 2.552 1.00 0.00 N ATOM 408 CA PHE A 24 14.904 9.471 3.953 1.00 0.00 C ATOM 409 C PHE A 24 16.161 8.740 4.416 1.00 0.00 C ATOM 410 O PHE A 24 16.598 8.896 5.556 1.00 0.00 O ATOM 411 CB PHE A 24 13.677 8.582 4.161 1.00 0.00 C ATOM 412 CG PHE A 24 13.588 7.996 5.541 1.00 0.00 C ATOM 413 CD1 PHE A 24 13.544 8.819 6.656 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.549 6.623 5.724 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.462 8.283 7.927 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.466 6.082 6.993 1.00 0.00 C ATOM 417 CZ PHE A 24 13.424 6.913 8.096 1.00 0.00 C ATOM 0 H PHE A 24 14.180 9.681 1.996 1.00 0.00 H new ATOM 0 HA PHE A 24 14.792 10.377 4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.778 9.166 3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.697 7.772 3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.574 9.891 6.530 1.00 0.00 H new ATOM 0 HD2 PHE A 24 13.584 5.969 4.866 1.00 0.00 H new ATOM 0 HE1 PHE A 24 13.428 8.935 8.787 1.00 0.00 H new ATOM 0 HE2 PHE A 24 13.434 5.010 7.122 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.362 6.492 9.089 1.00 0.00 H new ATOM 427 N ASN A 25 16.736 7.941 3.523 1.00 0.00 N ATOM 428 CA ASN A 25 17.942 7.184 3.840 1.00 0.00 C ATOM 429 C ASN A 25 19.178 8.076 3.771 1.00 0.00 C ATOM 430 O ASN A 25 20.042 8.023 4.645 1.00 0.00 O ATOM 431 CB ASN A 25 18.095 6.004 2.878 1.00 0.00 C ATOM 432 CG ASN A 25 19.117 4.993 3.362 1.00 0.00 C ATOM 433 OD1 ASN A 25 20.143 4.773 2.718 1.00 0.00 O ATOM 434 ND2 ASN A 25 18.839 4.372 4.502 1.00 0.00 N ATOM 0 H ASN A 25 16.387 7.801 2.575 1.00 0.00 H new ATOM 0 HA ASN A 25 17.847 6.805 4.857 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.130 5.511 2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.391 6.375 1.897 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.488 3.681 4.878 1.00 0.00 H new ATOM 0 HD22 ASN A 25 17.976 4.586 5.002 1.00 0.00 H new ATOM 441 N GLU A 26 19.253 8.893 2.725 1.00 0.00 N ATOM 442 CA GLU A 26 20.384 9.796 2.542 1.00 0.00 C ATOM 443 C GLU A 26 20.602 10.653 3.786 1.00 0.00 C ATOM 444 O GLU A 26 21.726 10.790 4.271 1.00 0.00 O ATOM 445 CB GLU A 26 20.156 10.694 1.324 1.00 0.00 C ATOM 446 CG GLU A 26 21.268 11.704 1.097 1.00 0.00 C ATOM 447 CD GLU A 26 22.649 11.095 1.245 1.00 0.00 C ATOM 448 OE1 GLU A 26 22.978 10.176 0.466 1.00 0.00 O ATOM 449 OE2 GLU A 26 23.399 11.537 2.140 1.00 0.00 O ATOM 0 H GLU A 26 18.545 8.948 1.992 1.00 0.00 H new ATOM 0 HA GLU A 26 21.276 9.192 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 26 20.057 10.070 0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.213 11.226 1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 26 21.168 12.130 0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.159 12.524 1.806 1.00 0.00 H new ATOM 456 N THR A 27 19.519 11.229 4.298 1.00 0.00 N ATOM 457 CA THR A 27 19.592 12.074 5.484 1.00 0.00 C ATOM 458 C THR A 27 18.204 12.533 5.917 1.00 0.00 C ATOM 459 O THR A 27 17.218 12.301 5.218 1.00 0.00 O ATOM 460 CB THR A 27 20.476 13.311 5.239 1.00 0.00 C ATOM 461 OG1 THR A 27 20.680 13.497 3.833 1.00 0.00 O ATOM 462 CG2 THR A 27 21.820 13.162 5.935 1.00 0.00 C ATOM 0 H THR A 27 18.581 11.126 3.910 1.00 0.00 H new ATOM 0 HA THR A 27 20.036 11.471 6.276 1.00 0.00 H new ATOM 0 HB THR A 27 19.966 14.182 5.651 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.640 13.486 3.637 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.427 14.048 5.748 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.664 13.050 7.008 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.334 12.282 5.549 1.00 0.00 H new ATOM 470 N GLN A 28 18.136 13.186 7.073 1.00 0.00 N ATOM 471 CA GLN A 28 16.868 13.678 7.598 1.00 0.00 C ATOM 472 C GLN A 28 16.741 15.184 7.393 1.00 0.00 C ATOM 473 O GLN A 28 16.288 15.906 8.281 1.00 0.00 O ATOM 474 CB GLN A 28 16.743 13.342 9.085 1.00 0.00 C ATOM 475 CG GLN A 28 16.993 11.876 9.400 1.00 0.00 C ATOM 476 CD GLN A 28 18.467 11.554 9.545 1.00 0.00 C ATOM 477 OE1 GLN A 28 19.261 12.396 9.966 1.00 0.00 O ATOM 478 NE2 GLN A 28 18.843 10.329 9.197 1.00 0.00 N ATOM 0 H GLN A 28 18.943 13.386 7.663 1.00 0.00 H new ATOM 0 HA GLN A 28 16.063 13.186 7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.450 13.952 9.648 1.00 0.00 H new ATOM 0 HB3 GLN A 28 15.745 13.614 9.428 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.475 11.613 10.322 1.00 0.00 H new ATOM 0 HG3 GLN A 28 16.567 11.260 8.608 1.00 0.00 H new ATOM 0 HE21 GLN A 28 18.152 9.662 8.853 1.00 0.00 H new ATOM 0 HE22 GLN A 28 19.823 10.055 9.274 1.00 0.00 H new ATOM 487 N TYR A 29 17.143 15.651 6.216 1.00 0.00 N ATOM 488 CA TYR A 29 17.077 17.072 5.895 1.00 0.00 C ATOM 489 C TYR A 29 16.048 17.336 4.800 1.00 0.00 C ATOM 490 O TYR A 29 16.384 17.539 3.633 1.00 0.00 O ATOM 491 CB TYR A 29 18.450 17.581 5.454 1.00 0.00 C ATOM 492 CG TYR A 29 19.549 17.304 6.454 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.327 17.449 7.818 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.811 16.898 6.036 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.328 17.197 8.736 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.817 16.642 6.947 1.00 0.00 C ATOM 497 CZ TYR A 29 21.571 16.794 8.296 1.00 0.00 C ATOM 498 OH TYR A 29 22.572 16.542 9.206 1.00 0.00 O ATOM 0 H TYR A 29 17.518 15.067 5.469 1.00 0.00 H new ATOM 0 HA TYR A 29 16.770 17.608 6.793 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.711 17.118 4.502 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.391 18.655 5.280 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.355 17.764 8.167 1.00 0.00 H new ATOM 0 HD2 TYR A 29 21.008 16.781 4.981 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.138 17.315 9.793 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.791 16.325 6.605 1.00 0.00 H new ATOM 0 HH TYR A 29 23.384 16.267 8.731 1.00 0.00 H new ATOM 508 N PRO A 30 14.763 17.334 5.184 1.00 0.00 N ATOM 509 CA PRO A 30 13.658 17.573 4.252 1.00 0.00 C ATOM 510 C PRO A 30 13.612 19.017 3.764 1.00 0.00 C ATOM 511 O PRO A 30 12.803 19.816 4.236 1.00 0.00 O ATOM 512 CB PRO A 30 12.415 17.250 5.085 1.00 0.00 C ATOM 513 CG PRO A 30 12.836 17.475 6.496 1.00 0.00 C ATOM 514 CD PRO A 30 14.290 17.100 6.559 1.00 0.00 C ATOM 0 HA PRO A 30 13.750 16.971 3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.578 17.894 4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.089 16.222 4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.688 18.515 6.786 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.246 16.866 7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.832 17.712 7.280 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.424 16.061 6.859 1.00 0.00 H new ATOM 522 N ASP A 31 14.484 19.345 2.818 1.00 0.00 N ATOM 523 CA ASP A 31 14.542 20.693 2.265 1.00 0.00 C ATOM 524 C ASP A 31 14.433 20.662 0.744 1.00 0.00 C ATOM 525 O ASP A 31 14.383 19.592 0.136 1.00 0.00 O ATOM 526 CB ASP A 31 15.842 21.383 2.682 1.00 0.00 C ATOM 527 CG ASP A 31 16.994 20.408 2.828 1.00 0.00 C ATOM 528 OD1 ASP A 31 17.202 19.593 1.905 1.00 0.00 O ATOM 529 OD2 ASP A 31 17.687 20.460 3.865 1.00 0.00 O ATOM 0 H ASP A 31 15.161 18.696 2.418 1.00 0.00 H new ATOM 0 HA ASP A 31 13.697 21.258 2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.102 22.140 1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.687 21.902 3.628 1.00 0.00 H new ATOM 534 N VAL A 32 14.395 21.843 0.134 1.00 0.00 N ATOM 535 CA VAL A 32 14.292 21.951 -1.316 1.00 0.00 C ATOM 536 C VAL A 32 15.365 21.116 -2.007 1.00 0.00 C ATOM 537 O VAL A 32 15.085 20.398 -2.968 1.00 0.00 O ATOM 538 CB VAL A 32 14.418 23.414 -1.780 1.00 0.00 C ATOM 539 CG1 VAL A 32 13.166 24.199 -1.419 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.655 24.060 -1.175 1.00 0.00 C ATOM 0 H VAL A 32 14.434 22.738 0.622 1.00 0.00 H new ATOM 0 HA VAL A 32 13.308 21.573 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 32 14.524 23.425 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.274 25.230 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.301 23.748 -1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.025 24.182 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.728 25.093 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.582 24.039 -0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.543 23.511 -1.490 1.00 0.00 H new ATOM 550 N PHE A 33 16.594 21.215 -1.512 1.00 0.00 N ATOM 551 CA PHE A 33 17.710 20.469 -2.082 1.00 0.00 C ATOM 552 C PHE A 33 17.410 18.973 -2.103 1.00 0.00 C ATOM 553 O PHE A 33 17.971 18.228 -2.906 1.00 0.00 O ATOM 554 CB PHE A 33 18.988 20.733 -1.284 1.00 0.00 C ATOM 555 CG PHE A 33 20.122 21.251 -2.122 1.00 0.00 C ATOM 556 CD1 PHE A 33 20.231 22.603 -2.404 1.00 0.00 C ATOM 557 CD2 PHE A 33 21.079 20.386 -2.628 1.00 0.00 C ATOM 558 CE1 PHE A 33 21.272 23.082 -3.176 1.00 0.00 C ATOM 559 CE2 PHE A 33 22.123 20.860 -3.399 1.00 0.00 C ATOM 560 CZ PHE A 33 22.220 22.210 -3.673 1.00 0.00 C ATOM 0 H PHE A 33 16.843 21.804 -0.717 1.00 0.00 H new ATOM 0 HA PHE A 33 17.854 20.807 -3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.772 21.453 -0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.300 19.809 -0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.494 23.290 -2.016 1.00 0.00 H new ATOM 0 HD2 PHE A 33 21.008 19.329 -2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 33 21.344 24.138 -3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 33 22.863 20.175 -3.787 1.00 0.00 H new ATOM 0 HZ PHE A 33 23.036 22.583 -4.275 1.00 0.00 H new ATOM 570 N ALA A 34 16.521 18.541 -1.214 1.00 0.00 N ATOM 571 CA ALA A 34 16.145 17.135 -1.131 1.00 0.00 C ATOM 572 C ALA A 34 15.001 16.815 -2.087 1.00 0.00 C ATOM 573 O ALA A 34 15.165 16.037 -3.027 1.00 0.00 O ATOM 574 CB ALA A 34 15.759 16.776 0.296 1.00 0.00 C ATOM 0 H ALA A 34 16.048 19.145 -0.541 1.00 0.00 H new ATOM 0 HA ALA A 34 17.007 16.536 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.480 15.723 0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.605 16.958 0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.914 17.389 0.610 1.00 0.00 H new ATOM 580 N ARG A 35 13.844 17.420 -1.841 1.00 0.00 N ATOM 581 CA ARG A 35 12.672 17.198 -2.680 1.00 0.00 C ATOM 582 C ARG A 35 12.988 17.492 -4.144 1.00 0.00 C ATOM 583 O ARG A 35 12.638 16.715 -5.031 1.00 0.00 O ATOM 584 CB ARG A 35 11.510 18.075 -2.212 1.00 0.00 C ATOM 585 CG ARG A 35 11.851 19.555 -2.147 1.00 0.00 C ATOM 586 CD ARG A 35 10.743 20.353 -1.476 1.00 0.00 C ATOM 587 NE ARG A 35 11.045 20.639 -0.076 1.00 0.00 N ATOM 588 CZ ARG A 35 10.478 21.624 0.611 1.00 0.00 C ATOM 589 NH1 ARG A 35 9.584 22.413 0.031 1.00 0.00 N ATOM 590 NH2 ARG A 35 10.805 21.821 1.882 1.00 0.00 N ATOM 0 H ARG A 35 13.693 18.068 -1.068 1.00 0.00 H new ATOM 0 HA ARG A 35 12.386 16.150 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.666 17.935 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.189 17.741 -1.225 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.783 19.691 -1.598 1.00 0.00 H new ATOM 0 HG3 ARG A 35 12.016 19.936 -3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.594 21.290 -2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.807 19.798 -1.539 1.00 0.00 H new ATOM 0 HE ARG A 35 11.729 20.050 0.400 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.330 22.264 -0.946 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.150 23.169 0.561 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.492 21.216 2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.369 22.578 2.409 1.00 0.00 H new ATOM 604 N GLU A 36 13.649 18.619 -4.387 1.00 0.00 N ATOM 605 CA GLU A 36 14.010 19.015 -5.743 1.00 0.00 C ATOM 606 C GLU A 36 14.934 17.983 -6.383 1.00 0.00 C ATOM 607 O GLU A 36 14.966 17.837 -7.605 1.00 0.00 O ATOM 608 CB GLU A 36 14.689 20.387 -5.734 1.00 0.00 C ATOM 609 CG GLU A 36 14.931 20.955 -7.122 1.00 0.00 C ATOM 610 CD GLU A 36 15.348 22.412 -7.091 1.00 0.00 C ATOM 611 OE1 GLU A 36 15.480 22.968 -5.980 1.00 0.00 O ATOM 612 OE2 GLU A 36 15.543 22.998 -8.177 1.00 0.00 O ATOM 0 H GLU A 36 13.945 19.274 -3.663 1.00 0.00 H new ATOM 0 HA GLU A 36 13.095 19.074 -6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.072 21.085 -5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.642 20.308 -5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.704 20.370 -7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.022 20.853 -7.716 1.00 0.00 H new ATOM 619 N ARG A 37 15.684 17.270 -5.549 1.00 0.00 N ATOM 620 CA ARG A 37 16.609 16.253 -6.033 1.00 0.00 C ATOM 621 C ARG A 37 15.859 14.996 -6.463 1.00 0.00 C ATOM 622 O ARG A 37 15.882 14.616 -7.634 1.00 0.00 O ATOM 623 CB ARG A 37 17.631 15.905 -4.949 1.00 0.00 C ATOM 624 CG ARG A 37 18.656 14.872 -5.387 1.00 0.00 C ATOM 625 CD ARG A 37 19.169 14.061 -4.207 1.00 0.00 C ATOM 626 NE ARG A 37 19.846 12.840 -4.635 1.00 0.00 N ATOM 627 CZ ARG A 37 21.077 12.819 -5.135 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.761 13.947 -5.268 1.00 0.00 N ATOM 629 NH2 ARG A 37 21.626 11.668 -5.502 1.00 0.00 N ATOM 0 H ARG A 37 15.669 17.378 -4.535 1.00 0.00 H new ATOM 0 HA ARG A 37 17.132 16.657 -6.900 1.00 0.00 H new ATOM 0 HB2 ARG A 37 18.151 16.814 -4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 37 17.104 15.532 -4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.209 14.203 -6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.491 15.372 -5.877 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.857 14.670 -3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.335 13.803 -3.554 1.00 0.00 H new ATOM 0 HE ARG A 37 19.347 11.955 -4.545 1.00 0.00 H new ATOM 0 HH11 ARG A 37 21.342 14.833 -4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.706 13.928 -5.652 1.00 0.00 H new ATOM 0 HH21 ARG A 37 21.103 10.798 -5.400 1.00 0.00 H new ATOM 0 HH22 ARG A 37 22.571 11.653 -5.886 1.00 0.00 H new ATOM 643 N VAL A 38 15.195 14.353 -5.508 1.00 0.00 N ATOM 644 CA VAL A 38 14.438 13.139 -5.787 1.00 0.00 C ATOM 645 C VAL A 38 13.424 13.368 -6.902 1.00 0.00 C ATOM 646 O VAL A 38 13.014 12.430 -7.585 1.00 0.00 O ATOM 647 CB VAL A 38 13.700 12.637 -4.532 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.670 11.958 -3.577 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.977 13.785 -3.844 1.00 0.00 C ATOM 0 H VAL A 38 15.166 14.653 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 38 15.157 12.383 -6.103 1.00 0.00 H new ATOM 0 HB VAL A 38 12.956 11.902 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.130 11.610 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.137 11.109 -4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.439 12.668 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.461 13.412 -2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.700 14.545 -3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.251 14.221 -4.530 1.00 0.00 H new ATOM 659 N ALA A 39 13.022 14.622 -7.080 1.00 0.00 N ATOM 660 CA ALA A 39 12.058 14.976 -8.114 1.00 0.00 C ATOM 661 C ALA A 39 12.546 14.542 -9.492 1.00 0.00 C ATOM 662 O ALA A 39 11.747 14.231 -10.375 1.00 0.00 O ATOM 663 CB ALA A 39 11.788 16.473 -8.095 1.00 0.00 C ATOM 0 H ALA A 39 13.349 15.410 -6.521 1.00 0.00 H new ATOM 0 HA ALA A 39 11.128 14.448 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.066 16.722 -8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.387 16.758 -7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.718 17.013 -8.276 1.00 0.00 H new ATOM 669 N ASP A 40 13.863 14.524 -9.669 1.00 0.00 N ATOM 670 CA ASP A 40 14.458 14.129 -10.940 1.00 0.00 C ATOM 671 C ASP A 40 14.605 12.613 -11.023 1.00 0.00 C ATOM 672 O ASP A 40 14.798 12.057 -12.104 1.00 0.00 O ATOM 673 CB ASP A 40 15.822 14.796 -11.119 1.00 0.00 C ATOM 674 CG ASP A 40 16.244 14.873 -12.573 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.595 15.615 -13.341 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.222 14.192 -12.944 1.00 0.00 O ATOM 0 H ASP A 40 14.538 14.778 -8.948 1.00 0.00 H new ATOM 0 HA ASP A 40 13.795 14.457 -11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.789 15.802 -10.700 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.571 14.240 -10.555 1.00 0.00 H new ATOM 681 N GLN A 41 14.514 11.951 -9.874 1.00 0.00 N ATOM 682 CA GLN A 41 14.638 10.499 -9.817 1.00 0.00 C ATOM 683 C GLN A 41 13.353 9.824 -10.284 1.00 0.00 C ATOM 684 O GLN A 41 13.379 8.958 -11.159 1.00 0.00 O ATOM 685 CB GLN A 41 14.976 10.051 -8.394 1.00 0.00 C ATOM 686 CG GLN A 41 16.349 10.504 -7.923 1.00 0.00 C ATOM 687 CD GLN A 41 17.476 9.736 -8.584 1.00 0.00 C ATOM 688 OE1 GLN A 41 18.225 10.284 -9.393 1.00 0.00 O ATOM 689 NE2 GLN A 41 17.603 8.459 -8.242 1.00 0.00 N ATOM 0 H GLN A 41 14.355 12.397 -8.970 1.00 0.00 H new ATOM 0 HA GLN A 41 15.446 10.202 -10.486 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.220 10.439 -7.711 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.924 8.963 -8.342 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.468 11.567 -8.132 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.416 10.382 -6.842 1.00 0.00 H new ATOM 0 HE21 GLN A 41 16.960 8.045 -7.567 1.00 0.00 H new ATOM 0 HE22 GLN A 41 18.344 7.892 -8.654 1.00 0.00 H new ATOM 698 N ILE A 42 12.232 10.224 -9.695 1.00 0.00 N ATOM 699 CA ILE A 42 10.937 9.658 -10.051 1.00 0.00 C ATOM 700 C ILE A 42 10.284 10.448 -11.180 1.00 0.00 C ATOM 701 O ILE A 42 9.250 10.046 -11.714 1.00 0.00 O ATOM 702 CB ILE A 42 9.984 9.627 -8.842 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.390 11.016 -8.598 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.715 9.132 -7.603 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.338 11.041 -7.511 1.00 0.00 C ATOM 0 H ILE A 42 12.194 10.939 -8.968 1.00 0.00 H new ATOM 0 HA ILE A 42 11.120 8.636 -10.384 1.00 0.00 H new ATOM 0 HB ILE A 42 9.169 8.937 -9.058 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.193 11.704 -8.332 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.951 11.383 -9.526 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.028 9.116 -6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.094 8.126 -7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.548 9.799 -7.381 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.961 12.057 -7.393 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.516 10.379 -7.784 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.777 10.705 -6.572 1.00 0.00 H new ATOM 717 N ARG A 43 10.895 11.572 -11.539 1.00 0.00 N ATOM 718 CA ARG A 43 10.373 12.418 -12.606 1.00 0.00 C ATOM 719 C ARG A 43 9.081 13.105 -12.172 1.00 0.00 C ATOM 720 O ARG A 43 8.043 12.964 -12.819 1.00 0.00 O ATOM 721 CB ARG A 43 10.123 11.590 -13.867 1.00 0.00 C ATOM 722 CG ARG A 43 10.352 12.360 -15.157 1.00 0.00 C ATOM 723 CD ARG A 43 9.504 13.622 -15.210 1.00 0.00 C ATOM 724 NE ARG A 43 9.708 14.366 -16.450 1.00 0.00 N ATOM 725 CZ ARG A 43 10.813 15.052 -16.722 1.00 0.00 C ATOM 726 NH1 ARG A 43 11.808 15.087 -15.847 1.00 0.00 N ATOM 727 NH2 ARG A 43 10.923 15.705 -17.872 1.00 0.00 N ATOM 0 H ARG A 43 11.752 11.918 -11.107 1.00 0.00 H new ATOM 0 HA ARG A 43 11.117 13.184 -12.824 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.776 10.718 -13.854 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.098 11.221 -13.851 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.406 12.625 -15.242 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.113 11.724 -16.009 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.451 13.356 -15.116 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.749 14.259 -14.360 1.00 0.00 H new ATOM 0 HE ARG A 43 8.962 14.359 -17.145 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.727 14.586 -14.962 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.655 15.614 -16.059 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.159 15.680 -18.548 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.771 16.231 -18.080 1.00 0.00 H new ATOM 741 N LEU A 44 9.153 13.847 -11.072 1.00 0.00 N ATOM 742 CA LEU A 44 7.989 14.556 -10.550 1.00 0.00 C ATOM 743 C LEU A 44 8.372 15.953 -10.073 1.00 0.00 C ATOM 744 O LEU A 44 9.551 16.255 -9.891 1.00 0.00 O ATOM 745 CB LEU A 44 7.360 13.767 -9.401 1.00 0.00 C ATOM 746 CG LEU A 44 5.988 14.249 -8.928 1.00 0.00 C ATOM 747 CD1 LEU A 44 5.002 14.272 -10.086 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.471 13.365 -7.802 1.00 0.00 C ATOM 0 H LEU A 44 10.004 13.973 -10.525 1.00 0.00 H new ATOM 0 HA LEU A 44 7.262 14.654 -11.356 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.271 12.725 -9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.044 13.792 -8.553 1.00 0.00 H new ATOM 0 HG LEU A 44 6.093 15.265 -8.547 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.031 14.618 -9.731 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.366 14.947 -10.861 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.901 13.268 -10.498 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.494 13.723 -7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.382 12.338 -8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.166 13.400 -6.963 1.00 0.00 H new ATOM 760 N GLN A 45 7.367 16.800 -9.872 1.00 0.00 N ATOM 761 CA GLN A 45 7.599 18.164 -9.414 1.00 0.00 C ATOM 762 C GLN A 45 8.351 18.173 -8.087 1.00 0.00 C ATOM 763 O GLN A 45 8.203 17.262 -7.274 1.00 0.00 O ATOM 764 CB GLN A 45 6.270 18.908 -9.266 1.00 0.00 C ATOM 765 CG GLN A 45 5.946 19.814 -10.442 1.00 0.00 C ATOM 766 CD GLN A 45 6.368 19.219 -11.771 1.00 0.00 C ATOM 767 OE1 GLN A 45 7.417 19.566 -12.315 1.00 0.00 O ATOM 768 NE2 GLN A 45 5.550 18.317 -12.302 1.00 0.00 N ATOM 0 H GLN A 45 6.385 16.565 -10.019 1.00 0.00 H new ATOM 0 HA GLN A 45 8.210 18.672 -10.160 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.467 18.180 -9.147 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.297 19.505 -8.355 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.874 20.010 -10.460 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.443 20.774 -10.304 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.691 18.059 -11.816 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.781 17.882 -13.195 1.00 0.00 H new ATOM 777 N GLU A 46 9.157 19.209 -7.876 1.00 0.00 N ATOM 778 CA GLU A 46 9.933 19.335 -6.648 1.00 0.00 C ATOM 779 C GLU A 46 9.021 19.597 -5.453 1.00 0.00 C ATOM 780 O GLU A 46 9.188 19.003 -4.388 1.00 0.00 O ATOM 781 CB GLU A 46 10.958 20.463 -6.779 1.00 0.00 C ATOM 782 CG GLU A 46 10.344 21.803 -7.147 1.00 0.00 C ATOM 783 CD GLU A 46 11.231 22.618 -8.068 1.00 0.00 C ATOM 784 OE1 GLU A 46 11.596 22.106 -9.147 1.00 0.00 O ATOM 785 OE2 GLU A 46 11.559 23.769 -7.710 1.00 0.00 O ATOM 0 H GLU A 46 9.289 19.973 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 46 10.459 18.395 -6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.495 20.566 -5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.693 20.189 -7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.381 21.637 -7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.151 22.372 -6.238 1.00 0.00 H new ATOM 792 N SER A 47 8.056 20.493 -5.638 1.00 0.00 N ATOM 793 CA SER A 47 7.120 20.838 -4.575 1.00 0.00 C ATOM 794 C SER A 47 6.043 19.767 -4.429 1.00 0.00 C ATOM 795 O SER A 47 5.410 19.646 -3.380 1.00 0.00 O ATOM 796 CB SER A 47 6.470 22.194 -4.859 1.00 0.00 C ATOM 797 OG SER A 47 5.318 22.386 -4.056 1.00 0.00 O ATOM 0 H SER A 47 7.902 20.993 -6.514 1.00 0.00 H new ATOM 0 HA SER A 47 7.677 20.898 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.188 22.992 -4.668 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.197 22.256 -5.912 1.00 0.00 H new ATOM 0 HG SER A 47 4.922 23.260 -4.255 1.00 0.00 H new ATOM 803 N ARG A 48 5.842 18.991 -5.489 1.00 0.00 N ATOM 804 CA ARG A 48 4.842 17.930 -5.481 1.00 0.00 C ATOM 805 C ARG A 48 5.381 16.681 -4.791 1.00 0.00 C ATOM 806 O ARG A 48 4.702 16.078 -3.959 1.00 0.00 O ATOM 807 CB ARG A 48 4.415 17.592 -6.911 1.00 0.00 C ATOM 808 CG ARG A 48 3.242 16.628 -6.984 1.00 0.00 C ATOM 809 CD ARG A 48 2.043 17.262 -7.672 1.00 0.00 C ATOM 810 NE ARG A 48 1.092 17.817 -6.712 1.00 0.00 N ATOM 811 CZ ARG A 48 -0.165 18.119 -7.014 1.00 0.00 C ATOM 812 NH1 ARG A 48 -0.621 17.921 -8.244 1.00 0.00 N ATOM 813 NH2 ARG A 48 -0.970 18.621 -6.086 1.00 0.00 N ATOM 0 H ARG A 48 6.358 19.077 -6.364 1.00 0.00 H new ATOM 0 HA ARG A 48 3.975 18.286 -4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.150 18.513 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.263 17.160 -7.442 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.541 15.730 -7.525 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.963 16.316 -5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.385 18.051 -8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.542 16.516 -8.288 1.00 0.00 H new ATOM 0 HE ARG A 48 1.411 17.982 -5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.005 17.536 -8.960 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.587 18.154 -8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.623 18.775 -5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.936 18.853 -6.320 1.00 0.00 H new ATOM 827 N ILE A 49 6.603 16.297 -5.143 1.00 0.00 N ATOM 828 CA ILE A 49 7.232 15.120 -4.556 1.00 0.00 C ATOM 829 C ILE A 49 7.220 15.191 -3.033 1.00 0.00 C ATOM 830 O ILE A 49 7.301 14.168 -2.354 1.00 0.00 O ATOM 831 CB ILE A 49 8.686 14.959 -5.040 1.00 0.00 C ATOM 832 CG1 ILE A 49 9.026 13.478 -5.217 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.646 15.614 -4.058 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.405 13.239 -5.792 1.00 0.00 C ATOM 0 H ILE A 49 7.177 16.783 -5.831 1.00 0.00 H new ATOM 0 HA ILE A 49 6.651 14.257 -4.881 1.00 0.00 H new ATOM 0 HB ILE A 49 8.789 15.454 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.953 12.979 -4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.284 13.019 -5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.669 15.492 -4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.414 16.676 -3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.543 15.144 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.578 12.167 -5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.477 13.709 -6.773 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.155 13.668 -5.128 1.00 0.00 H new ATOM 846 N GLN A 50 7.116 16.406 -2.504 1.00 0.00 N ATOM 847 CA GLN A 50 7.091 16.609 -1.060 1.00 0.00 C ATOM 848 C GLN A 50 5.964 15.808 -0.416 1.00 0.00 C ATOM 849 O GLN A 50 6.154 15.173 0.620 1.00 0.00 O ATOM 850 CB GLN A 50 6.926 18.095 -0.736 1.00 0.00 C ATOM 851 CG GLN A 50 7.965 18.625 0.239 1.00 0.00 C ATOM 852 CD GLN A 50 7.708 20.064 0.641 1.00 0.00 C ATOM 853 OE1 GLN A 50 7.249 20.873 -0.165 1.00 0.00 O ATOM 854 NE2 GLN A 50 8.004 20.390 1.894 1.00 0.00 N ATOM 0 H GLN A 50 7.048 17.263 -3.052 1.00 0.00 H new ATOM 0 HA GLN A 50 8.039 16.258 -0.653 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.983 18.668 -1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.932 18.259 -0.320 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.973 17.999 1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.954 18.549 -0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.383 19.687 2.528 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.853 21.344 2.222 1.00 0.00 H new ATOM 863 N VAL A 51 4.790 15.844 -1.038 1.00 0.00 N ATOM 864 CA VAL A 51 3.632 15.121 -0.526 1.00 0.00 C ATOM 865 C VAL A 51 3.839 13.613 -0.621 1.00 0.00 C ATOM 866 O VAL A 51 3.276 12.849 0.162 1.00 0.00 O ATOM 867 CB VAL A 51 2.350 15.501 -1.290 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.161 17.010 -1.299 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.393 14.952 -2.709 1.00 0.00 C ATOM 0 H VAL A 51 4.616 16.366 -1.897 1.00 0.00 H new ATOM 0 HA VAL A 51 3.520 15.404 0.521 1.00 0.00 H new ATOM 0 HB VAL A 51 1.497 15.055 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.250 17.259 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.082 17.373 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.015 17.481 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.479 15.230 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.254 15.367 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.477 13.866 -2.676 1.00 0.00 H new ATOM 879 N TRP A 52 4.651 13.193 -1.585 1.00 0.00 N ATOM 880 CA TRP A 52 4.933 11.776 -1.782 1.00 0.00 C ATOM 881 C TRP A 52 6.053 11.310 -0.858 1.00 0.00 C ATOM 882 O TRP A 52 6.207 10.115 -0.608 1.00 0.00 O ATOM 883 CB TRP A 52 5.314 11.509 -3.239 1.00 0.00 C ATOM 884 CG TRP A 52 4.283 10.718 -3.987 1.00 0.00 C ATOM 885 CD1 TRP A 52 4.513 9.756 -4.929 1.00 0.00 C ATOM 886 CD2 TRP A 52 2.861 10.823 -3.856 1.00 0.00 C ATOM 887 NE1 TRP A 52 3.319 9.257 -5.391 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.291 9.894 -4.748 1.00 0.00 C ATOM 889 CE3 TRP A 52 2.014 11.610 -3.070 1.00 0.00 C ATOM 890 CZ2 TRP A 52 0.914 9.733 -4.876 1.00 0.00 C ATOM 891 CZ3 TRP A 52 0.648 11.449 -3.198 1.00 0.00 C ATOM 892 CH2 TRP A 52 0.108 10.517 -4.094 1.00 0.00 C ATOM 0 H TRP A 52 5.125 13.813 -2.242 1.00 0.00 H new ATOM 0 HA TRP A 52 4.031 11.215 -1.540 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.470 12.461 -3.747 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.263 10.974 -3.267 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.489 9.435 -5.262 1.00 0.00 H new ATOM 0 HE1 TRP A 52 3.215 8.530 -6.099 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.420 12.331 -2.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.496 9.016 -5.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.016 12.052 -2.597 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.965 10.415 -4.169 1.00 0.00 H new ATOM 903 N PHE A 53 6.832 12.261 -0.353 1.00 0.00 N ATOM 904 CA PHE A 53 7.938 11.947 0.543 1.00 0.00 C ATOM 905 C PHE A 53 7.442 11.210 1.783 1.00 0.00 C ATOM 906 O PHE A 53 8.218 10.568 2.491 1.00 0.00 O ATOM 907 CB PHE A 53 8.668 13.228 0.955 1.00 0.00 C ATOM 908 CG PHE A 53 9.743 13.002 1.980 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.803 12.150 1.715 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.693 13.642 3.208 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.793 11.940 2.657 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.680 13.436 4.153 1.00 0.00 C ATOM 913 CZ PHE A 53 11.732 12.585 3.877 1.00 0.00 C ATOM 0 H PHE A 53 6.717 13.255 -0.549 1.00 0.00 H new ATOM 0 HA PHE A 53 8.631 11.297 0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.111 13.685 0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.943 13.939 1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.857 11.644 0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.873 14.309 3.429 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.613 11.272 2.439 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.629 13.940 5.107 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.505 12.424 4.613 1.00 0.00 H new ATOM 923 N LYS A 54 6.142 11.308 2.041 1.00 0.00 N ATOM 924 CA LYS A 54 5.538 10.651 3.194 1.00 0.00 C ATOM 925 C LYS A 54 5.143 9.216 2.859 1.00 0.00 C ATOM 926 O LYS A 54 4.898 8.405 3.750 1.00 0.00 O ATOM 927 CB LYS A 54 4.311 11.432 3.668 1.00 0.00 C ATOM 928 CG LYS A 54 4.242 11.602 5.175 1.00 0.00 C ATOM 929 CD LYS A 54 2.841 11.339 5.703 1.00 0.00 C ATOM 930 CE LYS A 54 2.067 12.634 5.897 1.00 0.00 C ATOM 931 NZ LYS A 54 0.703 12.388 6.442 1.00 0.00 N ATOM 0 H LYS A 54 5.486 11.837 1.466 1.00 0.00 H new ATOM 0 HA LYS A 54 6.277 10.628 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.314 12.416 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.411 10.920 3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.945 10.919 5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.549 12.613 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.304 10.694 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.903 10.805 6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.616 13.288 6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.988 13.157 4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.208 13.295 6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.170 11.785 5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.778 11.912 7.364 1.00 0.00 H new ATOM 945 N ASN A 55 5.084 8.911 1.566 1.00 0.00 N ATOM 946 CA ASN A 55 4.720 7.573 1.113 1.00 0.00 C ATOM 947 C ASN A 55 5.348 6.506 2.004 1.00 0.00 C ATOM 948 O ASN A 55 4.656 5.835 2.769 1.00 0.00 O ATOM 949 CB ASN A 55 5.160 7.366 -0.337 1.00 0.00 C ATOM 950 CG ASN A 55 5.119 5.908 -0.751 1.00 0.00 C ATOM 951 OD1 ASN A 55 4.173 5.187 -0.433 1.00 0.00 O ATOM 952 ND2 ASN A 55 6.148 5.466 -1.465 1.00 0.00 N ATOM 0 H ASN A 55 5.283 9.571 0.815 1.00 0.00 H new ATOM 0 HA ASN A 55 3.636 7.479 1.174 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.514 7.946 -0.996 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.173 7.749 -0.465 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.175 4.494 -1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.911 6.099 -1.706 1.00 0.00 H new ATOM 959 N ARG A 56 6.665 6.357 1.901 1.00 0.00 N ATOM 960 CA ARG A 56 7.387 5.372 2.696 1.00 0.00 C ATOM 961 C ARG A 56 7.770 5.948 4.057 1.00 0.00 C ATOM 962 O ARG A 56 7.697 5.260 5.076 1.00 0.00 O ATOM 963 CB ARG A 56 8.643 4.908 1.955 1.00 0.00 C ATOM 964 CG ARG A 56 9.107 3.517 2.356 1.00 0.00 C ATOM 965 CD ARG A 56 10.524 3.540 2.908 1.00 0.00 C ATOM 966 NE ARG A 56 10.807 2.372 3.737 1.00 0.00 N ATOM 967 CZ ARG A 56 10.402 2.248 4.996 1.00 0.00 C ATOM 968 NH1 ARG A 56 9.699 3.216 5.568 1.00 0.00 N ATOM 969 NH2 ARG A 56 10.700 1.154 5.685 1.00 0.00 N ATOM 0 H ARG A 56 7.253 6.906 1.274 1.00 0.00 H new ATOM 0 HA ARG A 56 6.730 4.517 2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.448 4.922 0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.448 5.618 2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.430 3.108 3.106 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.063 2.854 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.234 3.579 2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.669 4.446 3.496 1.00 0.00 H new ATOM 0 HE ARG A 56 11.345 1.609 3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.468 4.058 5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.389 3.118 6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.240 0.407 5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.389 1.060 6.652 1.00 0.00 H new ATOM 983 N ARG A 57 8.180 7.212 4.065 1.00 0.00 N ATOM 984 CA ARG A 57 8.576 7.879 5.299 1.00 0.00 C ATOM 985 C ARG A 57 7.520 7.687 6.384 1.00 0.00 C ATOM 986 O ARG A 57 7.836 7.647 7.572 1.00 0.00 O ATOM 987 CB ARG A 57 8.800 9.371 5.049 1.00 0.00 C ATOM 988 CG ARG A 57 9.077 10.167 6.314 1.00 0.00 C ATOM 989 CD ARG A 57 7.823 10.861 6.822 1.00 0.00 C ATOM 990 NE ARG A 57 8.136 12.069 7.580 1.00 0.00 N ATOM 991 CZ ARG A 57 7.216 12.831 8.161 1.00 0.00 C ATOM 992 NH1 ARG A 57 5.932 12.511 8.070 1.00 0.00 N ATOM 993 NH2 ARG A 57 7.578 13.916 8.834 1.00 0.00 N ATOM 0 H ARG A 57 8.247 7.795 3.231 1.00 0.00 H new ATOM 0 HA ARG A 57 9.509 7.431 5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.638 9.494 4.362 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.920 9.784 4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.464 9.502 7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.850 10.909 6.116 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.184 11.118 5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.258 10.174 7.452 1.00 0.00 H new ATOM 0 HE ARG A 57 9.115 12.343 7.668 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.649 11.678 7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.227 13.098 8.517 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.564 14.166 8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.870 14.500 9.279 1.00 0.00 H new ATOM 1007 N ALA A 58 6.264 7.571 5.966 1.00 0.00 N ATOM 1008 CA ALA A 58 5.161 7.382 6.901 1.00 0.00 C ATOM 1009 C ALA A 58 4.932 5.902 7.187 1.00 0.00 C ATOM 1010 O ALA A 58 4.521 5.528 8.286 1.00 0.00 O ATOM 1011 CB ALA A 58 3.892 8.019 6.355 1.00 0.00 C ATOM 0 H ALA A 58 5.985 7.605 4.986 1.00 0.00 H new ATOM 0 HA ALA A 58 5.424 7.870 7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.077 7.870 7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.055 9.087 6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.634 7.557 5.402 1.00 0.00 H new ATOM 1017 N LYS A 59 5.199 5.063 6.192 1.00 0.00 N ATOM 1018 CA LYS A 59 5.023 3.623 6.337 1.00 0.00 C ATOM 1019 C LYS A 59 5.858 3.086 7.495 1.00 0.00 C ATOM 1020 O LYS A 59 5.572 2.018 8.036 1.00 0.00 O ATOM 1021 CB LYS A 59 5.410 2.908 5.040 1.00 0.00 C ATOM 1022 CG LYS A 59 4.222 2.355 4.272 1.00 0.00 C ATOM 1023 CD LYS A 59 3.195 3.436 3.979 1.00 0.00 C ATOM 1024 CE LYS A 59 2.800 3.445 2.510 1.00 0.00 C ATOM 1025 NZ LYS A 59 2.154 4.728 2.117 1.00 0.00 N ATOM 0 H LYS A 59 5.538 5.356 5.276 1.00 0.00 H new ATOM 0 HA LYS A 59 3.972 3.431 6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.954 3.603 4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.092 2.091 5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.566 1.915 3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.756 1.555 4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.310 3.275 4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.601 4.409 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.685 3.281 1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.117 2.619 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.854 4.675 1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.324 4.898 2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.832 5.508 2.233 1.00 0.00 H new ATOM 1039 N TYR A 60 6.890 3.833 7.870 1.00 0.00 N ATOM 1040 CA TYR A 60 7.767 3.431 8.963 1.00 0.00 C ATOM 1041 C TYR A 60 6.959 3.077 10.208 1.00 0.00 C ATOM 1042 O TYR A 60 7.376 2.249 11.018 1.00 0.00 O ATOM 1043 CB TYR A 60 8.759 4.550 9.286 1.00 0.00 C ATOM 1044 CG TYR A 60 8.258 5.520 10.333 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.195 6.373 10.064 1.00 0.00 C ATOM 1046 CD2 TYR A 60 8.848 5.583 11.589 1.00 0.00 C ATOM 1047 CE1 TYR A 60 6.734 7.262 11.016 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.393 6.467 12.548 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.336 7.305 12.257 1.00 0.00 C ATOM 1050 OH TYR A 60 6.881 8.188 13.209 1.00 0.00 O ATOM 0 H TYR A 60 7.140 4.720 7.433 1.00 0.00 H new ATOM 0 HA TYR A 60 8.318 2.546 8.646 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.694 4.107 9.630 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.984 5.099 8.372 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.721 6.341 9.094 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.677 4.930 11.820 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.907 7.919 10.790 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.862 6.502 13.520 1.00 0.00 H new ATOM 0 HH TYR A 60 7.412 8.090 14.027 1.00 0.00 H new ATOM 1060 N ARG A 61 5.800 3.711 10.353 1.00 0.00 N ATOM 1061 CA ARG A 61 4.932 3.464 11.498 1.00 0.00 C ATOM 1062 C ARG A 61 4.135 2.177 11.310 1.00 0.00 C ATOM 1063 O ARG A 61 3.867 1.454 12.270 1.00 0.00 O ATOM 1064 CB ARG A 61 3.978 4.642 11.705 1.00 0.00 C ATOM 1065 CG ARG A 61 2.899 4.746 10.639 1.00 0.00 C ATOM 1066 CD ARG A 61 2.555 6.196 10.335 1.00 0.00 C ATOM 1067 NE ARG A 61 2.096 6.910 11.523 1.00 0.00 N ATOM 1068 CZ ARG A 61 0.908 6.714 12.085 1.00 0.00 C ATOM 1069 NH1 ARG A 61 0.065 5.830 11.569 1.00 0.00 N ATOM 1070 NH2 ARG A 61 0.562 7.403 13.165 1.00 0.00 N ATOM 0 H ARG A 61 5.440 4.399 9.692 1.00 0.00 H new ATOM 0 HA ARG A 61 5.561 3.355 12.381 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.504 4.547 12.682 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.554 5.567 11.718 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.237 4.252 9.728 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.004 4.221 10.973 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.432 6.698 9.926 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.781 6.232 9.569 1.00 0.00 H new ATOM 0 HE ARG A 61 2.721 7.597 11.945 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.328 5.299 10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.846 5.681 12.002 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.208 8.084 13.564 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.350 7.252 13.596 1.00 0.00 H new ATOM 1084 N LEU A 62 3.760 1.897 10.067 1.00 0.00 N ATOM 1085 CA LEU A 62 2.993 0.696 9.751 1.00 0.00 C ATOM 1086 C LEU A 62 3.840 -0.557 9.942 1.00 0.00 C ATOM 1087 O LEU A 62 3.394 -1.533 10.544 1.00 0.00 O ATOM 1088 CB LEU A 62 2.474 0.762 8.314 1.00 0.00 C ATOM 1089 CG LEU A 62 1.205 -0.040 8.021 1.00 0.00 C ATOM 1090 CD1 LEU A 62 0.598 0.388 6.693 1.00 0.00 C ATOM 1091 CD2 LEU A 62 1.506 -1.531 8.016 1.00 0.00 C ATOM 0 H LEU A 62 3.974 2.485 9.261 1.00 0.00 H new ATOM 0 HA LEU A 62 2.145 0.646 10.434 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.286 1.806 8.065 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.263 0.412 7.648 1.00 0.00 H new ATOM 0 HG LEU A 62 0.480 0.161 8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.304 -0.193 6.501 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.345 1.448 6.733 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.317 0.217 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.592 -2.086 7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.248 -1.750 7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.894 -1.827 8.990 1.00 0.00 H new