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 Set 1.1: A 45 GLN : amide:sc= 0 X(o=0,f=0.25) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.603 K(o=-0.6,f=-5.5!) USER MOD Single : A 16 GLN : amide:sc= -0.201 K(o=-0.2,f=-2.4) USER MOD Single : A 22 THR OG1 : rot 77:sc= 0.833 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= -0.719 K(o=-0.72,f=-1.5) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0145 X(o=-0.014,f=-0.094) USER MOD Single : A 50 GLN : amide:sc= -1.22 K(o=-1.2,f=-1.9) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.125 X(o=-0.13,f=0) 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 9.154 1.310 -8.407 1.00 0.00 N ATOM 230 CA ARG A 14 9.908 1.560 -7.184 1.00 0.00 C ATOM 231 C ARG A 14 10.174 3.051 -7.004 1.00 0.00 C ATOM 232 O ARG A 14 10.475 3.508 -5.901 1.00 0.00 O ATOM 233 CB ARG A 14 11.233 0.795 -7.212 1.00 0.00 C ATOM 234 CG ARG A 14 12.136 1.182 -8.371 1.00 0.00 C ATOM 235 CD ARG A 14 12.069 0.159 -9.495 1.00 0.00 C ATOM 236 NE ARG A 14 13.335 0.052 -10.214 1.00 0.00 N ATOM 237 CZ ARG A 14 13.452 -0.493 -11.419 1.00 0.00 C ATOM 238 NH1 ARG A 14 12.384 -0.977 -12.038 1.00 0.00 N ATOM 239 NH2 ARG A 14 14.640 -0.554 -12.009 1.00 0.00 N ATOM 0 HA ARG A 14 9.311 1.211 -6.341 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.763 0.969 -6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.025 -0.274 -7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.843 2.161 -8.751 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.164 1.271 -8.019 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.802 -0.815 -9.084 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.279 0.438 -10.192 1.00 0.00 H new ATOM 0 HE ARG A 14 14.176 0.416 -9.766 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.470 -0.931 -11.588 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.477 -1.395 -12.964 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.464 -0.182 -11.536 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.729 -0.973 -12.935 1.00 0.00 H new ATOM 253 N GLN A 15 10.060 3.804 -8.094 1.00 0.00 N ATOM 254 CA GLN A 15 10.289 5.243 -8.055 1.00 0.00 C ATOM 255 C GLN A 15 9.521 5.886 -6.905 1.00 0.00 C ATOM 256 O GLN A 15 10.083 6.649 -6.121 1.00 0.00 O ATOM 257 CB GLN A 15 9.875 5.882 -9.382 1.00 0.00 C ATOM 258 CG GLN A 15 10.749 5.469 -10.555 1.00 0.00 C ATOM 259 CD GLN A 15 12.146 6.051 -10.476 1.00 0.00 C ATOM 260 OE1 GLN A 15 12.480 6.769 -9.533 1.00 0.00 O ATOM 261 NE2 GLN A 15 12.973 5.743 -11.469 1.00 0.00 N ATOM 0 H GLN A 15 9.811 3.441 -9.014 1.00 0.00 H new ATOM 0 HA GLN A 15 11.354 5.412 -7.895 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.841 5.614 -9.598 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.908 6.967 -9.279 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.814 4.381 -10.589 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.278 5.790 -11.484 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.654 5.144 -12.231 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.927 6.105 -11.469 1.00 0.00 H new ATOM 270 N GLN A 16 8.232 5.572 -6.813 1.00 0.00 N ATOM 271 CA GLN A 16 7.387 6.121 -5.759 1.00 0.00 C ATOM 272 C GLN A 16 7.980 5.840 -4.383 1.00 0.00 C ATOM 273 O GLN A 16 7.844 6.645 -3.460 1.00 0.00 O ATOM 274 CB GLN A 16 5.977 5.533 -5.850 1.00 0.00 C ATOM 275 CG GLN A 16 4.889 6.584 -6.004 1.00 0.00 C ATOM 276 CD GLN A 16 5.058 7.420 -7.257 1.00 0.00 C ATOM 277 OE1 GLN A 16 5.901 7.124 -8.105 1.00 0.00 O ATOM 278 NE2 GLN A 16 4.257 8.471 -7.380 1.00 0.00 N ATOM 0 H GLN A 16 7.751 4.941 -7.455 1.00 0.00 H new ATOM 0 HA GLN A 16 7.333 7.201 -5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.932 4.848 -6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.779 4.945 -4.954 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.916 6.093 -6.028 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.895 7.238 -5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.573 8.679 -6.653 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.326 9.071 -8.202 1.00 0.00 H new ATOM 287 N LEU A 17 8.639 4.694 -4.251 1.00 0.00 N ATOM 288 CA LEU A 17 9.254 4.306 -2.987 1.00 0.00 C ATOM 289 C LEU A 17 10.688 4.819 -2.899 1.00 0.00 C ATOM 290 O LEU A 17 11.312 4.766 -1.839 1.00 0.00 O ATOM 291 CB LEU A 17 9.234 2.784 -2.833 1.00 0.00 C ATOM 292 CG LEU A 17 7.852 2.140 -2.716 1.00 0.00 C ATOM 293 CD1 LEU A 17 7.792 0.855 -3.527 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.512 1.868 -1.257 1.00 0.00 C ATOM 0 H LEU A 17 8.761 4.017 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 17 8.677 4.754 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.746 2.345 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.812 2.521 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 17 7.114 2.834 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.801 0.411 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.991 1.077 -4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.541 0.155 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.525 1.410 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.254 1.193 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.513 2.806 -0.702 1.00 0.00 H new ATOM 306 N GLU A 18 11.203 5.316 -4.019 1.00 0.00 N ATOM 307 CA GLU A 18 12.563 5.839 -4.067 1.00 0.00 C ATOM 308 C GLU A 18 12.653 7.186 -3.356 1.00 0.00 C ATOM 309 O GLU A 18 13.622 7.462 -2.647 1.00 0.00 O ATOM 310 CB GLU A 18 13.027 5.984 -5.518 1.00 0.00 C ATOM 311 CG GLU A 18 13.367 4.660 -6.183 1.00 0.00 C ATOM 312 CD GLU A 18 14.469 4.793 -7.216 1.00 0.00 C ATOM 313 OE1 GLU A 18 14.482 5.807 -7.944 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.319 3.881 -7.296 1.00 0.00 O ATOM 0 H GLU A 18 10.699 5.367 -4.905 1.00 0.00 H new ATOM 0 HA GLU A 18 13.215 5.132 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.245 6.480 -6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.903 6.632 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.673 3.943 -5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.474 4.257 -6.660 1.00 0.00 H new ATOM 321 N ILE A 19 11.638 8.021 -3.551 1.00 0.00 N ATOM 322 CA ILE A 19 11.602 9.338 -2.929 1.00 0.00 C ATOM 323 C ILE A 19 12.019 9.266 -1.464 1.00 0.00 C ATOM 324 O ILE A 19 12.713 10.150 -0.961 1.00 0.00 O ATOM 325 CB ILE A 19 10.198 9.966 -3.021 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.707 9.961 -4.470 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.214 11.382 -2.466 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.509 9.067 -4.700 1.00 0.00 C ATOM 0 H ILE A 19 10.829 7.808 -4.135 1.00 0.00 H new ATOM 0 HA ILE A 19 12.308 9.964 -3.475 1.00 0.00 H new ATOM 0 HB ILE A 19 9.509 9.370 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.451 10.980 -4.762 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.521 9.638 -5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.215 11.812 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.525 11.360 -1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 19 10.913 11.990 -3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.216 9.113 -5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.766 8.040 -4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.680 9.402 -4.077 1.00 0.00 H new ATOM 340 N LEU A 20 11.594 8.207 -0.785 1.00 0.00 N ATOM 341 CA LEU A 20 11.925 8.017 0.623 1.00 0.00 C ATOM 342 C LEU A 20 13.168 7.146 0.777 1.00 0.00 C ATOM 343 O LEU A 20 14.186 7.590 1.308 1.00 0.00 O ATOM 344 CB LEU A 20 10.748 7.380 1.363 1.00 0.00 C ATOM 345 CG LEU A 20 9.372 7.570 0.723 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.156 9.026 0.344 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.221 6.671 -0.495 1.00 0.00 C ATOM 0 H LEU A 20 11.019 7.466 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 20 12.132 8.995 1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.939 6.311 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.716 7.788 2.373 1.00 0.00 H new ATOM 0 HG LEU A 20 8.612 7.290 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.172 9.142 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.219 9.648 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.922 9.334 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.236 6.820 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.989 6.919 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.330 5.629 -0.194 1.00 0.00 H new ATOM 359 N GLU A 21 13.078 5.906 0.307 1.00 0.00 N ATOM 360 CA GLU A 21 14.197 4.974 0.393 1.00 0.00 C ATOM 361 C GLU A 21 15.506 5.661 0.015 1.00 0.00 C ATOM 362 O GLU A 21 16.577 5.292 0.499 1.00 0.00 O ATOM 363 CB GLU A 21 13.957 3.770 -0.520 1.00 0.00 C ATOM 364 CG GLU A 21 14.392 2.448 0.089 1.00 0.00 C ATOM 365 CD GLU A 21 15.873 2.415 0.415 1.00 0.00 C ATOM 366 OE1 GLU A 21 16.676 2.871 -0.425 1.00 0.00 O ATOM 367 OE2 GLU A 21 16.228 1.933 1.511 1.00 0.00 O ATOM 0 H GLU A 21 12.243 5.523 -0.137 1.00 0.00 H new ATOM 0 HA GLU A 21 14.272 4.629 1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.896 3.716 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.493 3.923 -1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.819 2.265 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.158 1.639 -0.603 1.00 0.00 H new ATOM 374 N THR A 22 15.413 6.662 -0.855 1.00 0.00 N ATOM 375 CA THR A 22 16.589 7.399 -1.300 1.00 0.00 C ATOM 376 C THR A 22 16.843 8.615 -0.417 1.00 0.00 C ATOM 377 O THR A 22 17.950 8.807 0.090 1.00 0.00 O ATOM 378 CB THR A 22 16.441 7.863 -2.762 1.00 0.00 C ATOM 379 OG1 THR A 22 16.011 6.770 -3.581 1.00 0.00 O ATOM 380 CG2 THR A 22 17.757 8.413 -3.291 1.00 0.00 C ATOM 0 H THR A 22 14.535 6.981 -1.265 1.00 0.00 H new ATOM 0 HA THR A 22 17.436 6.717 -1.226 1.00 0.00 H new ATOM 0 HB THR A 22 15.695 8.657 -2.795 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.052 6.619 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.628 8.734 -4.325 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.067 9.263 -2.683 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.521 7.637 -3.245 1.00 0.00 H new ATOM 388 N LEU A 23 15.813 9.433 -0.234 1.00 0.00 N ATOM 389 CA LEU A 23 15.924 10.632 0.590 1.00 0.00 C ATOM 390 C LEU A 23 15.987 10.270 2.071 1.00 0.00 C ATOM 391 O LEU A 23 16.994 10.511 2.737 1.00 0.00 O ATOM 392 CB LEU A 23 14.740 11.565 0.331 1.00 0.00 C ATOM 393 CG LEU A 23 14.873 12.985 0.881 1.00 0.00 C ATOM 394 CD1 LEU A 23 13.889 13.918 0.191 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.655 12.997 2.387 1.00 0.00 C ATOM 0 H LEU A 23 14.891 9.288 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 23 16.847 11.145 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.581 11.627 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.846 11.113 0.760 1.00 0.00 H new ATOM 0 HG LEU A 23 15.883 13.340 0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.998 14.925 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.092 13.933 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.872 13.566 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.754 14.016 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.657 12.622 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.398 12.361 2.867 1.00 0.00 H new ATOM 407 N PHE A 24 14.906 9.689 2.579 1.00 0.00 N ATOM 408 CA PHE A 24 14.838 9.293 3.981 1.00 0.00 C ATOM 409 C PHE A 24 16.120 8.583 4.408 1.00 0.00 C ATOM 410 O PHE A 24 16.567 8.719 5.546 1.00 0.00 O ATOM 411 CB PHE A 24 13.633 8.379 4.217 1.00 0.00 C ATOM 412 CG PHE A 24 13.587 7.793 5.599 1.00 0.00 C ATOM 413 CD1 PHE A 24 13.305 8.592 6.695 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.826 6.444 5.802 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.261 8.056 7.969 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.784 5.902 7.073 1.00 0.00 C ATOM 417 CZ PHE A 24 13.502 6.709 8.157 1.00 0.00 C ATOM 0 H PHE A 24 14.065 9.482 2.041 1.00 0.00 H new ATOM 0 HA PHE A 24 14.725 10.195 4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.718 8.944 4.040 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.653 7.569 3.488 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.117 9.646 6.553 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.048 5.808 4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 24 13.039 8.689 8.815 1.00 0.00 H new ATOM 0 HE2 PHE A 24 13.972 4.848 7.218 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.470 6.288 9.151 1.00 0.00 H new ATOM 427 N ASN A 25 16.705 7.826 3.486 1.00 0.00 N ATOM 428 CA ASN A 25 17.935 7.094 3.766 1.00 0.00 C ATOM 429 C ASN A 25 19.150 8.011 3.660 1.00 0.00 C ATOM 430 O ASN A 25 20.061 7.948 4.485 1.00 0.00 O ATOM 431 CB ASN A 25 18.084 5.917 2.800 1.00 0.00 C ATOM 432 CG ASN A 25 19.167 4.948 3.233 1.00 0.00 C ATOM 433 OD1 ASN A 25 20.232 4.875 2.618 1.00 0.00 O ATOM 434 ND2 ASN A 25 18.900 4.197 4.295 1.00 0.00 N ATOM 0 H ASN A 25 16.347 7.703 2.539 1.00 0.00 H new ATOM 0 HA ASN A 25 17.878 6.713 4.786 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.134 5.387 2.728 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.315 6.295 1.804 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.591 3.526 4.632 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.004 4.291 4.774 1.00 0.00 H new ATOM 441 N GLU A 26 19.155 8.861 2.638 1.00 0.00 N ATOM 442 CA GLU A 26 20.259 9.790 2.424 1.00 0.00 C ATOM 443 C GLU A 26 20.535 10.606 3.684 1.00 0.00 C ATOM 444 O GLU A 26 21.682 10.750 4.106 1.00 0.00 O ATOM 445 CB GLU A 26 19.947 10.726 1.255 1.00 0.00 C ATOM 446 CG GLU A 26 21.042 11.744 0.980 1.00 0.00 C ATOM 447 CD GLU A 26 22.319 11.103 0.472 1.00 0.00 C ATOM 448 OE1 GLU A 26 22.373 10.763 -0.729 1.00 0.00 O ATOM 449 OE2 GLU A 26 23.262 10.942 1.273 1.00 0.00 O ATOM 0 H GLU A 26 18.408 8.926 1.946 1.00 0.00 H new ATOM 0 HA GLU A 26 21.150 9.208 2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.783 10.130 0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.016 11.254 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.685 12.466 0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.256 12.298 1.894 1.00 0.00 H new ATOM 456 N THR A 27 19.473 11.140 4.280 1.00 0.00 N ATOM 457 CA THR A 27 19.600 11.943 5.490 1.00 0.00 C ATOM 458 C THR A 27 18.235 12.401 5.991 1.00 0.00 C ATOM 459 O THR A 27 17.215 12.160 5.346 1.00 0.00 O ATOM 460 CB THR A 27 20.488 13.179 5.253 1.00 0.00 C ATOM 461 OG1 THR A 27 20.669 13.390 3.849 1.00 0.00 O ATOM 462 CG2 THR A 27 21.842 13.009 5.925 1.00 0.00 C ATOM 0 H THR A 27 18.516 11.031 3.944 1.00 0.00 H new ATOM 0 HA THR A 27 20.067 11.308 6.243 1.00 0.00 H new ATOM 0 HB THR A 27 19.991 14.046 5.688 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.233 14.178 3.707 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.452 13.894 5.744 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.702 12.878 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.344 12.133 5.515 1.00 0.00 H new ATOM 470 N GLN A 28 18.224 13.062 7.144 1.00 0.00 N ATOM 471 CA GLN A 28 16.983 13.553 7.731 1.00 0.00 C ATOM 472 C GLN A 28 16.849 15.060 7.540 1.00 0.00 C ATOM 473 O GLN A 28 16.436 15.777 8.451 1.00 0.00 O ATOM 474 CB GLN A 28 16.928 13.209 9.221 1.00 0.00 C ATOM 475 CG GLN A 28 17.141 11.732 9.513 1.00 0.00 C ATOM 476 CD GLN A 28 18.607 11.350 9.545 1.00 0.00 C ATOM 477 OE1 GLN A 28 19.446 12.100 10.046 1.00 0.00 O ATOM 478 NE2 GLN A 28 18.925 10.177 9.009 1.00 0.00 N ATOM 0 H GLN A 28 19.060 13.270 7.690 1.00 0.00 H new ATOM 0 HA GLN A 28 16.152 13.065 7.221 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.687 13.788 9.747 1.00 0.00 H new ATOM 0 HB3 GLN A 28 15.961 13.514 9.620 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.684 11.485 10.471 1.00 0.00 H new ATOM 0 HG3 GLN A 28 16.631 11.138 8.754 1.00 0.00 H new ATOM 0 HE21 GLN A 28 18.198 9.587 8.605 1.00 0.00 H new ATOM 0 HE22 GLN A 28 19.896 9.866 9.002 1.00 0.00 H new ATOM 487 N TYR A 29 17.202 15.534 6.350 1.00 0.00 N ATOM 488 CA TYR A 29 17.124 16.956 6.040 1.00 0.00 C ATOM 489 C TYR A 29 16.038 17.229 5.004 1.00 0.00 C ATOM 490 O TYR A 29 16.308 17.415 3.817 1.00 0.00 O ATOM 491 CB TYR A 29 18.473 17.462 5.526 1.00 0.00 C ATOM 492 CG TYR A 29 19.622 17.187 6.470 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.480 17.367 7.840 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.851 16.749 5.991 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.527 17.118 8.706 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.903 16.496 6.850 1.00 0.00 C ATOM 497 CZ TYR A 29 21.736 16.682 8.206 1.00 0.00 C ATOM 498 OH TYR A 29 22.782 16.432 9.065 1.00 0.00 O ATOM 0 H TYR A 29 17.545 14.954 5.584 1.00 0.00 H new ATOM 0 HA TYR A 29 16.869 17.488 6.956 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.684 16.995 4.564 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.406 18.536 5.351 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.534 17.708 8.235 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.986 16.604 4.929 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.399 17.264 9.768 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.851 16.154 6.462 1.00 0.00 H new ATOM 0 HH TYR A 29 23.561 16.131 8.553 1.00 0.00 H new ATOM 508 N PRO A 30 14.778 17.255 5.463 1.00 0.00 N ATOM 509 CA PRO A 30 13.624 17.506 4.594 1.00 0.00 C ATOM 510 C PRO A 30 13.577 18.946 4.095 1.00 0.00 C ATOM 511 O PRO A 30 12.801 19.761 4.596 1.00 0.00 O ATOM 512 CB PRO A 30 12.427 17.214 5.501 1.00 0.00 C ATOM 513 CG PRO A 30 12.933 17.444 6.883 1.00 0.00 C ATOM 514 CD PRO A 30 14.382 17.042 6.865 1.00 0.00 C ATOM 0 HA PRO A 30 13.651 16.894 3.692 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.588 17.871 5.272 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.074 16.190 5.374 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.821 18.489 7.171 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.373 16.853 7.607 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.976 17.650 7.547 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.514 16.003 7.167 1.00 0.00 H new ATOM 522 N ASP A 31 14.409 19.253 3.107 1.00 0.00 N ATOM 523 CA ASP A 31 14.460 20.595 2.539 1.00 0.00 C ATOM 524 C ASP A 31 14.319 20.549 1.021 1.00 0.00 C ATOM 525 O ASP A 31 14.254 19.474 0.425 1.00 0.00 O ATOM 526 CB ASP A 31 15.772 21.284 2.921 1.00 0.00 C ATOM 527 CG ASP A 31 15.692 21.976 4.267 1.00 0.00 C ATOM 528 OD1 ASP A 31 14.841 22.877 4.421 1.00 0.00 O ATOM 529 OD2 ASP A 31 16.481 21.618 5.167 1.00 0.00 O ATOM 0 H ASP A 31 15.058 18.591 2.682 1.00 0.00 H new ATOM 0 HA ASP A 31 13.626 21.167 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.574 20.546 2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.032 22.015 2.155 1.00 0.00 H new ATOM 534 N VAL A 32 14.271 21.724 0.400 1.00 0.00 N ATOM 535 CA VAL A 32 14.136 21.817 -1.049 1.00 0.00 C ATOM 536 C VAL A 32 15.195 20.978 -1.754 1.00 0.00 C ATOM 537 O VAL A 32 14.904 20.278 -2.724 1.00 0.00 O ATOM 538 CB VAL A 32 14.250 23.276 -1.530 1.00 0.00 C ATOM 539 CG1 VAL A 32 13.008 24.065 -1.141 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.503 23.927 -0.965 1.00 0.00 C ATOM 0 H VAL A 32 14.324 22.624 0.878 1.00 0.00 H new ATOM 0 HA VAL A 32 13.147 21.435 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 32 14.327 23.277 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.106 25.093 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.130 23.610 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.897 24.058 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.567 24.957 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.459 23.916 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.382 23.375 -1.298 1.00 0.00 H new ATOM 550 N PHE A 33 16.427 21.052 -1.261 1.00 0.00 N ATOM 551 CA PHE A 33 17.531 20.299 -1.844 1.00 0.00 C ATOM 552 C PHE A 33 17.209 18.808 -1.889 1.00 0.00 C ATOM 553 O PHE A 33 17.765 18.066 -2.698 1.00 0.00 O ATOM 554 CB PHE A 33 18.814 20.531 -1.043 1.00 0.00 C ATOM 555 CG PHE A 33 19.963 21.017 -1.879 1.00 0.00 C ATOM 556 CD1 PHE A 33 19.993 22.320 -2.348 1.00 0.00 C ATOM 557 CD2 PHE A 33 21.014 20.171 -2.196 1.00 0.00 C ATOM 558 CE1 PHE A 33 21.049 22.770 -3.119 1.00 0.00 C ATOM 559 CE2 PHE A 33 22.072 20.615 -2.965 1.00 0.00 C ATOM 560 CZ PHE A 33 22.091 21.916 -3.426 1.00 0.00 C ATOM 0 H PHE A 33 16.686 21.626 -0.459 1.00 0.00 H new ATOM 0 HA PHE A 33 17.679 20.652 -2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.615 21.258 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.100 19.600 -0.553 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.182 22.992 -2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 33 21.006 19.152 -1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 33 21.059 23.788 -3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 33 22.884 19.945 -3.205 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.919 22.266 -4.025 1.00 0.00 H new ATOM 570 N ALA A 34 16.307 18.377 -1.013 1.00 0.00 N ATOM 571 CA ALA A 34 15.909 16.976 -0.953 1.00 0.00 C ATOM 572 C ALA A 34 14.776 16.685 -1.932 1.00 0.00 C ATOM 573 O ALA A 34 14.944 15.919 -2.880 1.00 0.00 O ATOM 574 CB ALA A 34 15.494 16.606 0.463 1.00 0.00 C ATOM 0 H ALA A 34 15.838 18.978 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 34 16.767 16.367 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.199 15.557 0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.332 16.767 1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.653 17.228 0.770 1.00 0.00 H new ATOM 580 N ARG A 35 13.622 17.300 -1.694 1.00 0.00 N ATOM 581 CA ARG A 35 12.461 17.105 -2.554 1.00 0.00 C ATOM 582 C ARG A 35 12.801 17.423 -4.007 1.00 0.00 C ATOM 583 O ARG A 35 12.426 16.685 -4.917 1.00 0.00 O ATOM 584 CB ARG A 35 11.300 17.985 -2.086 1.00 0.00 C ATOM 585 CG ARG A 35 11.662 19.456 -1.964 1.00 0.00 C ATOM 586 CD ARG A 35 10.499 20.273 -1.421 1.00 0.00 C ATOM 587 NE ARG A 35 10.893 21.093 -0.279 1.00 0.00 N ATOM 588 CZ ARG A 35 10.998 20.626 0.960 1.00 0.00 C ATOM 589 NH1 ARG A 35 10.739 19.351 1.216 1.00 0.00 N ATOM 590 NH2 ARG A 35 11.362 21.435 1.947 1.00 0.00 N ATOM 0 H ARG A 35 13.466 17.937 -0.913 1.00 0.00 H new ATOM 0 HA ARG A 35 12.164 16.058 -2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.471 17.880 -2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.949 17.625 -1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.524 19.566 -1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.955 19.842 -2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.107 20.915 -2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.692 19.603 -1.125 1.00 0.00 H new ATOM 0 HE ARG A 35 11.099 22.079 -0.442 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.458 18.726 0.460 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.821 18.995 2.168 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.561 22.417 1.755 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.442 21.075 2.898 1.00 0.00 H new ATOM 604 N GLU A 36 13.513 18.526 -4.215 1.00 0.00 N ATOM 605 CA GLU A 36 13.901 18.941 -5.558 1.00 0.00 C ATOM 606 C GLU A 36 14.828 17.911 -6.199 1.00 0.00 C ATOM 607 O GLU A 36 14.915 17.816 -7.423 1.00 0.00 O ATOM 608 CB GLU A 36 14.591 20.306 -5.514 1.00 0.00 C ATOM 609 CG GLU A 36 14.927 20.863 -6.888 1.00 0.00 C ATOM 610 CD GLU A 36 15.242 22.346 -6.855 1.00 0.00 C ATOM 611 OE1 GLU A 36 16.078 22.755 -6.022 1.00 0.00 O ATOM 612 OE2 GLU A 36 14.654 23.096 -7.662 1.00 0.00 O ATOM 0 H GLU A 36 13.832 19.147 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 36 12.997 19.018 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.946 21.013 -4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.508 20.221 -4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.781 20.323 -7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.088 20.688 -7.562 1.00 0.00 H new ATOM 619 N ARG A 37 15.518 17.143 -5.363 1.00 0.00 N ATOM 620 CA ARG A 37 16.439 16.122 -5.847 1.00 0.00 C ATOM 621 C ARG A 37 15.681 14.878 -6.302 1.00 0.00 C ATOM 622 O ARG A 37 15.713 14.514 -7.477 1.00 0.00 O ATOM 623 CB ARG A 37 17.441 15.749 -4.753 1.00 0.00 C ATOM 624 CG ARG A 37 18.452 14.699 -5.185 1.00 0.00 C ATOM 625 CD ARG A 37 18.839 13.790 -4.029 1.00 0.00 C ATOM 626 NE ARG A 37 19.808 12.775 -4.433 1.00 0.00 N ATOM 627 CZ ARG A 37 20.042 11.666 -3.740 1.00 0.00 C ATOM 628 NH1 ARG A 37 19.380 11.431 -2.615 1.00 0.00 N ATOM 629 NH2 ARG A 37 20.939 10.789 -4.172 1.00 0.00 N ATOM 0 H ARG A 37 15.457 17.208 -4.347 1.00 0.00 H new ATOM 0 HA ARG A 37 16.979 16.531 -6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 37 17.974 16.647 -4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.896 15.381 -3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.034 14.101 -5.995 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.343 15.190 -5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.257 14.390 -3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 37 17.946 13.303 -3.636 1.00 0.00 H new ATOM 0 HE ARG A 37 20.334 12.926 -5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 37 18.689 12.103 -2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 37 19.562 10.579 -2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 37 21.450 10.966 -5.037 1.00 0.00 H new ATOM 0 HH22 ARG A 37 21.118 9.938 -3.639 1.00 0.00 H new ATOM 643 N VAL A 38 14.999 14.230 -5.362 1.00 0.00 N ATOM 644 CA VAL A 38 14.233 13.027 -5.666 1.00 0.00 C ATOM 645 C VAL A 38 13.263 13.270 -6.817 1.00 0.00 C ATOM 646 O VAL A 38 12.892 12.343 -7.536 1.00 0.00 O ATOM 647 CB VAL A 38 13.443 12.539 -4.437 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.364 11.825 -3.460 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.736 13.704 -3.762 1.00 0.00 C ATOM 0 H VAL A 38 14.962 14.518 -4.384 1.00 0.00 H new ATOM 0 HA VAL A 38 14.951 12.259 -5.955 1.00 0.00 H new ATOM 0 HB VAL A 38 12.686 11.829 -4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.789 11.487 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.820 10.965 -3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.145 12.510 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.183 13.341 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.473 14.440 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.045 14.167 -4.466 1.00 0.00 H new ATOM 659 N ALA A 39 12.855 14.524 -6.985 1.00 0.00 N ATOM 660 CA ALA A 39 11.929 14.889 -8.049 1.00 0.00 C ATOM 661 C ALA A 39 12.477 14.488 -9.415 1.00 0.00 C ATOM 662 O ALA A 39 11.716 14.200 -10.339 1.00 0.00 O ATOM 663 CB ALA A 39 11.644 16.384 -8.011 1.00 0.00 C ATOM 0 H ALA A 39 13.151 15.303 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 39 10.997 14.348 -7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.951 16.643 -8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.202 16.646 -7.050 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.575 16.935 -8.145 1.00 0.00 H new ATOM 669 N ASP A 40 13.799 14.473 -9.535 1.00 0.00 N ATOM 670 CA ASP A 40 14.449 14.107 -10.788 1.00 0.00 C ATOM 671 C ASP A 40 14.606 12.593 -10.897 1.00 0.00 C ATOM 672 O ASP A 40 14.857 12.062 -11.979 1.00 0.00 O ATOM 673 CB ASP A 40 15.817 14.783 -10.895 1.00 0.00 C ATOM 674 CG ASP A 40 16.302 14.884 -12.328 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.462 15.108 -13.225 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.522 14.741 -12.552 1.00 0.00 O ATOM 0 H ASP A 40 14.442 14.710 -8.780 1.00 0.00 H new ATOM 0 HA ASP A 40 13.819 14.449 -11.609 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.760 15.782 -10.462 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.543 14.222 -10.307 1.00 0.00 H new ATOM 681 N GLN A 41 14.458 11.905 -9.769 1.00 0.00 N ATOM 682 CA GLN A 41 14.585 10.453 -9.738 1.00 0.00 C ATOM 683 C GLN A 41 13.313 9.784 -10.249 1.00 0.00 C ATOM 684 O GLN A 41 13.361 8.942 -11.146 1.00 0.00 O ATOM 685 CB GLN A 41 14.891 9.977 -8.317 1.00 0.00 C ATOM 686 CG GLN A 41 16.287 10.343 -7.840 1.00 0.00 C ATOM 687 CD GLN A 41 17.364 9.484 -8.473 1.00 0.00 C ATOM 688 OE1 GLN A 41 17.870 9.798 -9.551 1.00 0.00 O ATOM 689 NE2 GLN A 41 17.721 8.394 -7.805 1.00 0.00 N ATOM 0 H GLN A 41 14.250 12.330 -8.865 1.00 0.00 H new ATOM 0 HA GLN A 41 15.409 10.171 -10.393 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.158 10.406 -7.633 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.773 8.894 -8.272 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.482 11.391 -8.069 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.335 10.239 -6.756 1.00 0.00 H new ATOM 0 HE21 GLN A 41 17.275 8.172 -6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 41 18.441 7.778 -8.182 1.00 0.00 H new ATOM 698 N ILE A 42 12.178 10.163 -9.671 1.00 0.00 N ATOM 699 CA ILE A 42 10.894 9.600 -10.068 1.00 0.00 C ATOM 700 C ILE A 42 10.264 10.410 -11.196 1.00 0.00 C ATOM 701 O ILE A 42 9.226 10.033 -11.740 1.00 0.00 O ATOM 702 CB ILE A 42 9.913 9.543 -8.882 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.301 10.923 -8.631 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.621 9.037 -7.634 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.216 10.920 -7.578 1.00 0.00 C ATOM 0 H ILE A 42 12.122 10.858 -8.926 1.00 0.00 H new ATOM 0 HA ILE A 42 11.089 8.586 -10.417 1.00 0.00 H new ATOM 0 HB ILE A 42 9.109 8.849 -9.127 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.090 11.611 -8.327 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.888 11.304 -9.565 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.915 9.002 -6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.014 8.037 -7.819 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.442 9.709 -7.384 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.828 11.931 -7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.409 10.257 -7.889 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.628 10.570 -6.632 1.00 0.00 H new ATOM 717 N ARG A 43 10.899 11.524 -11.543 1.00 0.00 N ATOM 718 CA ARG A 43 10.401 12.388 -12.607 1.00 0.00 C ATOM 719 C ARG A 43 9.090 13.053 -12.199 1.00 0.00 C ATOM 720 O ARG A 43 8.051 12.838 -12.824 1.00 0.00 O ATOM 721 CB ARG A 43 10.199 11.584 -13.893 1.00 0.00 C ATOM 722 CG ARG A 43 10.101 12.446 -15.141 1.00 0.00 C ATOM 723 CD ARG A 43 11.421 13.140 -15.443 1.00 0.00 C ATOM 724 NE ARG A 43 11.427 13.749 -16.770 1.00 0.00 N ATOM 725 CZ ARG A 43 12.398 14.543 -17.210 1.00 0.00 C ATOM 726 NH1 ARG A 43 13.435 14.820 -16.432 1.00 0.00 N ATOM 727 NH2 ARG A 43 12.332 15.060 -18.430 1.00 0.00 N ATOM 0 H ARG A 43 11.760 11.850 -11.103 1.00 0.00 H new ATOM 0 HA ARG A 43 11.143 13.166 -12.786 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.028 10.885 -14.008 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.291 10.989 -13.800 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.811 11.827 -15.990 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.318 13.193 -15.009 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.608 13.907 -14.691 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.235 12.418 -15.371 1.00 0.00 H new ATOM 0 HE ARG A 43 10.643 13.555 -17.393 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.489 14.424 -15.494 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.179 15.430 -16.772 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.536 14.848 -19.031 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.078 15.669 -18.767 1.00 0.00 H new ATOM 741 N LEU A 44 9.145 13.860 -11.145 1.00 0.00 N ATOM 742 CA LEU A 44 7.962 14.557 -10.652 1.00 0.00 C ATOM 743 C LEU A 44 8.325 15.943 -10.128 1.00 0.00 C ATOM 744 O LEU A 44 9.498 16.248 -9.914 1.00 0.00 O ATOM 745 CB LEU A 44 7.290 13.741 -9.547 1.00 0.00 C ATOM 746 CG LEU A 44 5.889 14.195 -9.135 1.00 0.00 C ATOM 747 CD1 LEU A 44 4.964 14.232 -10.342 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.326 13.279 -8.058 1.00 0.00 C ATOM 0 H LEU A 44 9.996 14.048 -10.615 1.00 0.00 H new ATOM 0 HA LEU A 44 7.267 14.674 -11.483 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.232 12.703 -9.874 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.931 13.763 -8.666 1.00 0.00 H new ATOM 0 HG LEU A 44 5.960 15.203 -8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.972 14.557 -10.030 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.358 14.929 -11.081 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.898 13.236 -10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.329 13.618 -7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.269 12.260 -8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.977 13.303 -7.184 1.00 0.00 H new ATOM 760 N GLN A 45 7.310 16.776 -9.921 1.00 0.00 N ATOM 761 CA GLN A 45 7.523 18.129 -9.420 1.00 0.00 C ATOM 762 C GLN A 45 8.276 18.106 -8.094 1.00 0.00 C ATOM 763 O GLN A 45 8.184 17.142 -7.335 1.00 0.00 O ATOM 764 CB GLN A 45 6.184 18.848 -9.249 1.00 0.00 C ATOM 765 CG GLN A 45 5.943 19.938 -10.281 1.00 0.00 C ATOM 766 CD GLN A 45 6.682 21.221 -9.959 1.00 0.00 C ATOM 767 OE1 GLN A 45 7.753 21.488 -10.505 1.00 0.00 O ATOM 768 NE2 GLN A 45 6.113 22.025 -9.068 1.00 0.00 N ATOM 0 H GLN A 45 6.333 16.538 -10.092 1.00 0.00 H new ATOM 0 HA GLN A 45 8.126 18.669 -10.149 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.378 18.117 -9.310 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.141 19.287 -8.252 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.256 19.580 -11.262 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.875 20.145 -10.343 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.225 21.764 -8.640 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.564 22.903 -8.812 1.00 0.00 H new ATOM 777 N GLU A 46 9.019 19.174 -7.822 1.00 0.00 N ATOM 778 CA GLU A 46 9.788 19.275 -6.588 1.00 0.00 C ATOM 779 C GLU A 46 8.868 19.496 -5.390 1.00 0.00 C ATOM 780 O GLU A 46 9.115 18.980 -4.301 1.00 0.00 O ATOM 781 CB GLU A 46 10.802 20.417 -6.684 1.00 0.00 C ATOM 782 CG GLU A 46 10.190 21.739 -7.116 1.00 0.00 C ATOM 783 CD GLU A 46 10.867 22.322 -8.341 1.00 0.00 C ATOM 784 OE1 GLU A 46 12.114 22.370 -8.363 1.00 0.00 O ATOM 785 OE2 GLU A 46 10.149 22.731 -9.278 1.00 0.00 O ATOM 0 H GLU A 46 9.104 19.981 -8.440 1.00 0.00 H new ATOM 0 HA GLU A 46 10.322 18.336 -6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.282 20.548 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.583 20.139 -7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.130 21.593 -7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.257 22.452 -6.294 1.00 0.00 H new ATOM 792 N SER A 47 7.807 20.268 -5.602 1.00 0.00 N ATOM 793 CA SER A 47 6.852 20.561 -4.540 1.00 0.00 C ATOM 794 C SER A 47 5.818 19.446 -4.415 1.00 0.00 C ATOM 795 O SER A 47 5.278 19.203 -3.335 1.00 0.00 O ATOM 796 CB SER A 47 6.150 21.894 -4.810 1.00 0.00 C ATOM 797 OG SER A 47 5.434 21.855 -6.032 1.00 0.00 O ATOM 0 H SER A 47 7.587 20.701 -6.499 1.00 0.00 H new ATOM 0 HA SER A 47 7.401 20.630 -3.601 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.467 22.121 -3.992 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.887 22.697 -4.842 1.00 0.00 H new ATOM 0 HG SER A 47 4.993 22.718 -6.181 1.00 0.00 H new ATOM 803 N ARG A 48 5.548 18.771 -5.527 1.00 0.00 N ATOM 804 CA ARG A 48 4.579 17.682 -5.544 1.00 0.00 C ATOM 805 C ARG A 48 5.139 16.445 -4.849 1.00 0.00 C ATOM 806 O ARG A 48 4.465 15.823 -4.027 1.00 0.00 O ATOM 807 CB ARG A 48 4.189 17.340 -6.983 1.00 0.00 C ATOM 808 CG ARG A 48 3.080 16.305 -7.084 1.00 0.00 C ATOM 809 CD ARG A 48 1.794 16.917 -7.617 1.00 0.00 C ATOM 810 NE ARG A 48 0.957 17.452 -6.547 1.00 0.00 N ATOM 811 CZ ARG A 48 -0.247 17.977 -6.748 1.00 0.00 C ATOM 812 NH1 ARG A 48 -0.752 18.035 -7.972 1.00 0.00 N ATOM 813 NH2 ARG A 48 -0.948 18.444 -5.723 1.00 0.00 N ATOM 0 H ARG A 48 5.987 18.959 -6.428 1.00 0.00 H new ATOM 0 HA ARG A 48 3.692 18.010 -5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.872 18.251 -7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.068 16.971 -7.511 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.397 15.493 -7.739 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.897 15.869 -6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.036 17.714 -8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.236 16.162 -8.171 1.00 0.00 H new ATOM 0 HE ARG A 48 1.316 17.421 -5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.216 17.676 -8.762 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.676 18.438 -8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.563 18.400 -4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.872 18.847 -5.878 1.00 0.00 H new ATOM 827 N ILE A 49 6.376 16.093 -5.186 1.00 0.00 N ATOM 828 CA ILE A 49 7.026 14.930 -4.594 1.00 0.00 C ATOM 829 C ILE A 49 6.990 14.996 -3.071 1.00 0.00 C ATOM 830 O ILE A 49 7.102 13.974 -2.394 1.00 0.00 O ATOM 831 CB ILE A 49 8.490 14.808 -5.058 1.00 0.00 C ATOM 832 CG1 ILE A 49 8.855 13.339 -5.283 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.423 15.440 -4.036 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.269 13.138 -5.782 1.00 0.00 C ATOM 0 H ILE A 49 6.947 16.596 -5.865 1.00 0.00 H new ATOM 0 HA ILE A 49 6.472 14.053 -4.930 1.00 0.00 H new ATOM 0 HB ILE A 49 8.603 15.340 -6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.727 12.794 -4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.159 12.906 -6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.454 15.346 -4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.174 16.495 -3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.311 14.933 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.459 12.073 -5.919 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.396 13.655 -6.733 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.973 13.541 -5.053 1.00 0.00 H new ATOM 846 N GLN A 50 6.833 16.204 -2.540 1.00 0.00 N ATOM 847 CA GLN A 50 6.781 16.402 -1.096 1.00 0.00 C ATOM 848 C GLN A 50 5.592 15.666 -0.488 1.00 0.00 C ATOM 849 O GLN A 50 5.614 15.290 0.684 1.00 0.00 O ATOM 850 CB GLN A 50 6.695 17.893 -0.768 1.00 0.00 C ATOM 851 CG GLN A 50 7.771 18.367 0.195 1.00 0.00 C ATOM 852 CD GLN A 50 7.725 19.864 0.431 1.00 0.00 C ATOM 853 OE1 GLN A 50 7.570 20.647 -0.507 1.00 0.00 O ATOM 854 NE2 GLN A 50 7.859 20.270 1.688 1.00 0.00 N ATOM 0 H GLN A 50 6.740 17.060 -3.087 1.00 0.00 H new ATOM 0 HA GLN A 50 7.696 15.994 -0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.769 18.465 -1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.716 18.106 -0.339 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.655 17.849 1.147 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.751 18.095 -0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.985 19.586 2.434 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.836 21.266 1.908 1.00 0.00 H new ATOM 863 N VAL A 51 4.553 15.462 -1.293 1.00 0.00 N ATOM 864 CA VAL A 51 3.355 14.770 -0.834 1.00 0.00 C ATOM 865 C VAL A 51 3.580 13.264 -0.772 1.00 0.00 C ATOM 866 O VAL A 51 3.030 12.579 0.091 1.00 0.00 O ATOM 867 CB VAL A 51 2.153 15.061 -1.752 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.065 16.547 -2.063 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.252 14.245 -3.033 1.00 0.00 C ATOM 0 H VAL A 51 4.518 15.766 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 51 3.138 15.143 0.167 1.00 0.00 H new ATOM 0 HB VAL A 51 1.241 14.769 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.210 16.733 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.944 17.106 -1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.978 16.869 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.395 14.463 -3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.171 14.504 -3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.262 13.183 -2.788 1.00 0.00 H new ATOM 879 N TRP A 52 4.392 12.754 -1.691 1.00 0.00 N ATOM 880 CA TRP A 52 4.690 11.327 -1.740 1.00 0.00 C ATOM 881 C TRP A 52 5.847 10.981 -0.809 1.00 0.00 C ATOM 882 O TRP A 52 6.046 9.818 -0.455 1.00 0.00 O ATOM 883 CB TRP A 52 5.027 10.905 -3.171 1.00 0.00 C ATOM 884 CG TRP A 52 4.005 11.344 -4.176 1.00 0.00 C ATOM 885 CD1 TRP A 52 4.239 12.015 -5.342 1.00 0.00 C ATOM 886 CD2 TRP A 52 2.590 11.144 -4.102 1.00 0.00 C ATOM 887 NE1 TRP A 52 3.053 12.245 -5.997 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.027 11.719 -5.258 1.00 0.00 C ATOM 889 CE3 TRP A 52 1.743 10.533 -3.173 1.00 0.00 C ATOM 890 CZ2 TRP A 52 0.657 11.701 -5.506 1.00 0.00 C ATOM 891 CZ3 TRP A 52 0.384 10.516 -3.421 1.00 0.00 C ATOM 892 CH2 TRP A 52 -0.149 11.097 -4.580 1.00 0.00 C ATOM 0 H TRP A 52 4.856 13.307 -2.412 1.00 0.00 H new ATOM 0 HA TRP A 52 3.805 10.784 -1.407 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.997 11.319 -3.445 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.121 9.820 -3.210 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.212 12.320 -5.697 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.953 12.729 -6.889 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.144 10.082 -2.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.245 12.148 -6.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.279 10.047 -2.709 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.216 11.067 -4.745 1.00 0.00 H new ATOM 903 N PHE A 53 6.609 11.996 -0.415 1.00 0.00 N ATOM 904 CA PHE A 53 7.747 11.798 0.475 1.00 0.00 C ATOM 905 C PHE A 53 7.314 11.113 1.768 1.00 0.00 C ATOM 906 O PHE A 53 8.131 10.524 2.476 1.00 0.00 O ATOM 907 CB PHE A 53 8.411 13.139 0.794 1.00 0.00 C ATOM 908 CG PHE A 53 9.513 13.036 1.809 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.573 12.165 1.614 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.489 13.809 2.958 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.588 12.068 2.548 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.501 13.717 3.895 1.00 0.00 C ATOM 913 CZ PHE A 53 11.552 12.845 3.689 1.00 0.00 C ATOM 0 H PHE A 53 6.459 12.964 -0.698 1.00 0.00 H new ATOM 0 HA PHE A 53 8.466 11.155 -0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.813 13.564 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.654 13.832 1.161 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.607 11.555 0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.669 14.492 3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.409 11.385 2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.470 14.326 4.786 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.344 12.771 4.419 1.00 0.00 H new ATOM 923 N LYS A 54 6.022 11.195 2.070 1.00 0.00 N ATOM 924 CA LYS A 54 5.478 10.583 3.276 1.00 0.00 C ATOM 925 C LYS A 54 5.057 9.140 3.012 1.00 0.00 C ATOM 926 O LYS A 54 4.869 8.359 3.943 1.00 0.00 O ATOM 927 CB LYS A 54 4.281 11.389 3.786 1.00 0.00 C ATOM 928 CG LYS A 54 4.147 11.387 5.299 1.00 0.00 C ATOM 929 CD LYS A 54 2.744 10.997 5.734 1.00 0.00 C ATOM 930 CE LYS A 54 2.648 10.858 7.245 1.00 0.00 C ATOM 931 NZ LYS A 54 1.616 11.765 7.821 1.00 0.00 N ATOM 0 H LYS A 54 5.332 11.680 1.495 1.00 0.00 H new ATOM 0 HA LYS A 54 6.259 10.582 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.372 12.418 3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.368 10.985 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.868 10.692 5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.388 12.376 5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.033 11.749 5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.464 10.055 5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.408 9.826 7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.617 11.080 7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.581 11.640 8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.858 12.752 7.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.687 11.537 7.413 1.00 0.00 H new ATOM 945 N ASN A 55 4.914 8.794 1.737 1.00 0.00 N ATOM 946 CA ASN A 55 4.516 7.445 1.351 1.00 0.00 C ATOM 947 C ASN A 55 5.204 6.404 2.228 1.00 0.00 C ATOM 948 O ASN A 55 4.566 5.757 3.059 1.00 0.00 O ATOM 949 CB ASN A 55 4.854 7.193 -0.120 1.00 0.00 C ATOM 950 CG ASN A 55 4.560 5.767 -0.544 1.00 0.00 C ATOM 951 OD1 ASN A 55 5.396 5.107 -1.163 1.00 0.00 O ATOM 952 ND2 ASN A 55 3.368 5.284 -0.212 1.00 0.00 N ATOM 0 H ASN A 55 5.068 9.429 0.954 1.00 0.00 H new ATOM 0 HA ASN A 55 3.438 7.356 1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.283 7.880 -0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.909 7.410 -0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.114 4.330 -0.470 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.707 5.867 0.301 1.00 0.00 H new ATOM 959 N ARG A 56 6.510 6.247 2.038 1.00 0.00 N ATOM 960 CA ARG A 56 7.285 5.284 2.811 1.00 0.00 C ATOM 961 C ARG A 56 7.745 5.893 4.132 1.00 0.00 C ATOM 962 O ARG A 56 7.736 5.228 5.169 1.00 0.00 O ATOM 963 CB ARG A 56 8.497 4.809 2.006 1.00 0.00 C ATOM 964 CG ARG A 56 8.950 3.403 2.361 1.00 0.00 C ATOM 965 CD ARG A 56 10.382 3.391 2.872 1.00 0.00 C ATOM 966 NE ARG A 56 10.738 2.109 3.475 1.00 0.00 N ATOM 967 CZ ARG A 56 10.303 1.711 4.665 1.00 0.00 C ATOM 968 NH1 ARG A 56 9.500 2.491 5.376 1.00 0.00 N ATOM 969 NH2 ARG A 56 10.671 0.530 5.146 1.00 0.00 N ATOM 0 H ARG A 56 7.054 6.775 1.355 1.00 0.00 H new ATOM 0 HA ARG A 56 6.644 4.429 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.254 4.846 0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.324 5.500 2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.288 2.987 3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.870 2.762 1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.063 3.605 2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.511 4.185 3.607 1.00 0.00 H new ATOM 0 HE ARG A 56 11.354 1.485 2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.215 3.399 5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.167 2.183 6.290 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.288 -0.073 4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.337 0.225 6.060 1.00 0.00 H new ATOM 983 N ARG A 57 8.147 7.158 4.087 1.00 0.00 N ATOM 984 CA ARG A 57 8.613 7.855 5.280 1.00 0.00 C ATOM 985 C ARG A 57 7.624 7.685 6.430 1.00 0.00 C ATOM 986 O ARG A 57 8.004 7.723 7.599 1.00 0.00 O ATOM 987 CB ARG A 57 8.814 9.342 4.982 1.00 0.00 C ATOM 988 CG ARG A 57 9.225 10.157 6.198 1.00 0.00 C ATOM 989 CD ARG A 57 8.034 10.874 6.816 1.00 0.00 C ATOM 990 NE ARG A 57 8.191 11.052 8.257 1.00 0.00 N ATOM 991 CZ ARG A 57 7.333 11.730 9.011 1.00 0.00 C ATOM 992 NH1 ARG A 57 6.263 12.291 8.464 1.00 0.00 N ATOM 993 NH2 ARG A 57 7.543 11.848 10.316 1.00 0.00 N ATOM 0 H ARG A 57 8.160 7.722 3.237 1.00 0.00 H new ATOM 0 HA ARG A 57 9.567 7.419 5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.575 9.449 4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.888 9.751 4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.681 9.501 6.940 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.981 10.887 5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.911 11.848 6.342 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.125 10.305 6.618 1.00 0.00 H new ATOM 0 HE ARG A 57 9.004 10.633 8.709 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.097 12.202 7.462 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.606 12.811 9.046 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.364 11.418 10.741 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.883 12.369 10.894 1.00 0.00 H new ATOM 1007 N ALA A 58 6.354 7.498 6.088 1.00 0.00 N ATOM 1008 CA ALA A 58 5.311 7.321 7.091 1.00 0.00 C ATOM 1009 C ALA A 58 5.152 5.851 7.463 1.00 0.00 C ATOM 1010 O ALA A 58 4.856 5.519 8.612 1.00 0.00 O ATOM 1011 CB ALA A 58 3.991 7.885 6.585 1.00 0.00 C ATOM 0 H ALA A 58 6.022 7.465 5.124 1.00 0.00 H new ATOM 0 HA ALA A 58 5.607 7.866 7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.221 7.746 7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.106 8.948 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.699 7.365 5.673 1.00 0.00 H new ATOM 1017 N LYS A 59 5.349 4.972 6.486 1.00 0.00 N ATOM 1018 CA LYS A 59 5.228 3.537 6.710 1.00 0.00 C ATOM 1019 C LYS A 59 6.191 3.074 7.799 1.00 0.00 C ATOM 1020 O LYS A 59 5.988 2.028 8.417 1.00 0.00 O ATOM 1021 CB LYS A 59 5.503 2.772 5.414 1.00 0.00 C ATOM 1022 CG LYS A 59 4.256 2.177 4.783 1.00 0.00 C ATOM 1023 CD LYS A 59 3.419 3.239 4.090 1.00 0.00 C ATOM 1024 CE LYS A 59 1.945 2.866 4.076 1.00 0.00 C ATOM 1025 NZ LYS A 59 1.656 1.786 3.092 1.00 0.00 N ATOM 0 H LYS A 59 5.594 5.230 5.530 1.00 0.00 H new ATOM 0 HA LYS A 59 4.209 3.331 7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.977 3.444 4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.214 1.972 5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.542 1.411 4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.658 1.685 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.549 4.195 4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.772 3.371 3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.643 2.541 5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.350 3.747 3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.641 1.560 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.920 2.105 2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.205 0.937 3.337 1.00 0.00 H new ATOM 1039 N TYR A 60 7.237 3.859 8.031 1.00 0.00 N ATOM 1040 CA TYR A 60 8.231 3.528 9.045 1.00 0.00 C ATOM 1041 C TYR A 60 7.563 3.207 10.378 1.00 0.00 C ATOM 1042 O TYR A 60 8.084 2.425 11.174 1.00 0.00 O ATOM 1043 CB TYR A 60 9.215 4.686 9.221 1.00 0.00 C ATOM 1044 CG TYR A 60 8.837 5.638 10.332 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.745 6.488 10.204 1.00 0.00 C ATOM 1046 CD2 TYR A 60 9.573 5.690 11.510 1.00 0.00 C ATOM 1047 CE1 TYR A 60 7.396 7.360 11.217 1.00 0.00 C ATOM 1048 CE2 TYR A 60 9.230 6.558 12.528 1.00 0.00 C ATOM 1049 CZ TYR A 60 8.142 7.392 12.377 1.00 0.00 C ATOM 1050 OH TYR A 60 7.798 8.259 13.389 1.00 0.00 O ATOM 0 H TYR A 60 7.419 4.729 7.531 1.00 0.00 H new ATOM 0 HA TYR A 60 8.775 2.645 8.710 1.00 0.00 H new ATOM 0 HB2 TYR A 60 10.207 4.281 9.422 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.281 5.241 8.285 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.159 6.466 9.297 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.427 5.041 11.631 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.544 8.013 11.101 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.811 6.584 13.438 1.00 0.00 H new ATOM 0 HH TYR A 60 8.424 8.155 14.136 1.00 0.00 H new ATOM 1060 N ARG A 61 6.405 3.816 10.614 1.00 0.00 N ATOM 1061 CA ARG A 61 5.665 3.596 11.851 1.00 0.00 C ATOM 1062 C ARG A 61 4.946 2.251 11.822 1.00 0.00 C ATOM 1063 O ARG A 61 4.876 1.550 12.833 1.00 0.00 O ATOM 1064 CB ARG A 61 4.654 4.722 12.072 1.00 0.00 C ATOM 1065 CG ARG A 61 4.221 4.877 13.521 1.00 0.00 C ATOM 1066 CD ARG A 61 3.291 6.067 13.700 1.00 0.00 C ATOM 1067 NE ARG A 61 4.024 7.328 13.771 1.00 0.00 N ATOM 1068 CZ ARG A 61 3.443 8.505 13.978 1.00 0.00 C ATOM 1069 NH1 ARG A 61 2.129 8.581 14.134 1.00 0.00 N ATOM 1070 NH2 ARG A 61 4.178 9.609 14.030 1.00 0.00 N ATOM 0 H ARG A 61 5.960 4.465 9.965 1.00 0.00 H new ATOM 0 HA ARG A 61 6.378 3.590 12.676 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.088 5.661 11.729 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.774 4.534 11.457 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.718 3.968 13.851 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.100 5.002 14.153 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.586 6.104 12.870 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.706 5.936 14.610 1.00 0.00 H new ATOM 0 HE ARG A 61 5.037 7.304 13.655 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.561 7.735 14.095 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.686 9.486 14.293 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.190 9.554 13.911 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.731 10.512 14.189 1.00 0.00 H new ATOM 1084 N LEU A 62 4.412 1.896 10.659 1.00 0.00 N ATOM 1085 CA LEU A 62 3.697 0.634 10.498 1.00 0.00 C ATOM 1086 C LEU A 62 4.604 -0.550 10.816 1.00 0.00 C ATOM 1087 O LEU A 62 4.170 -1.530 11.420 1.00 0.00 O ATOM 1088 CB LEU A 62 3.157 0.510 9.072 1.00 0.00 C ATOM 1089 CG LEU A 62 2.019 -0.492 8.870 1.00 0.00 C ATOM 1090 CD1 LEU A 62 1.333 -0.257 7.533 1.00 0.00 C ATOM 1091 CD2 LEU A 62 2.541 -1.918 8.961 1.00 0.00 C ATOM 0 H LEU A 62 4.460 2.464 9.813 1.00 0.00 H new ATOM 0 HA LEU A 62 2.862 0.626 11.198 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.811 1.492 8.749 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.981 0.231 8.416 1.00 0.00 H new ATOM 0 HG LEU A 62 1.285 -0.345 9.663 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.526 -0.979 7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.924 0.753 7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.057 -0.377 6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.717 -2.617 8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.295 -2.079 8.191 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.985 -2.081 9.943 1.00 0.00 H new