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 Single : A 15 GLN : amide:sc= -0.495 K(o=-0.5,f=-1.9) USER MOD Single : A 16 GLN : amide:sc= -1.25 K(o=-1.3,f=-2.2) USER MOD Single : A 22 THR OG1 : rot 80:sc= 0.745 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.72 X(o=-1.7,f=-1.9) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0514 X(o=-0.051,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0.107 (180deg=0.1) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 229 N ARG A 14 9.162 1.117 -7.870 1.00 0.00 N ATOM 230 CA ARG A 14 10.115 1.457 -6.820 1.00 0.00 C ATOM 231 C ARG A 14 10.361 2.962 -6.775 1.00 0.00 C ATOM 232 O ARG A 14 10.838 3.492 -5.772 1.00 0.00 O ATOM 233 CB ARG A 14 11.437 0.720 -7.046 1.00 0.00 C ATOM 234 CG ARG A 14 12.083 1.025 -8.387 1.00 0.00 C ATOM 235 CD ARG A 14 11.803 -0.071 -9.403 1.00 0.00 C ATOM 236 NE ARG A 14 12.929 -0.279 -10.309 1.00 0.00 N ATOM 237 CZ ARG A 14 12.846 -0.977 -11.436 1.00 0.00 C ATOM 238 NH1 ARG A 14 11.696 -1.531 -11.794 1.00 0.00 N ATOM 239 NH2 ARG A 14 13.915 -1.121 -12.209 1.00 0.00 N ATOM 0 HA ARG A 14 9.692 1.147 -5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.132 0.985 -6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.262 -0.353 -6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.708 1.977 -8.764 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.160 1.135 -8.257 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.582 -1.002 -8.880 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.916 0.189 -9.981 1.00 0.00 H new ATOM 0 HE ARG A 14 13.828 0.134 -10.063 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.872 -1.422 -11.203 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.636 -2.066 -12.660 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.801 -0.695 -11.938 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.850 -1.657 -13.074 1.00 0.00 H new ATOM 253 N GLN A 15 10.031 3.643 -7.867 1.00 0.00 N ATOM 254 CA GLN A 15 10.217 5.087 -7.952 1.00 0.00 C ATOM 255 C GLN A 15 9.530 5.794 -6.788 1.00 0.00 C ATOM 256 O GLN A 15 10.156 6.565 -6.062 1.00 0.00 O ATOM 257 CB GLN A 15 9.672 5.616 -9.280 1.00 0.00 C ATOM 258 CG GLN A 15 10.384 5.051 -10.498 1.00 0.00 C ATOM 259 CD GLN A 15 11.877 5.309 -10.473 1.00 0.00 C ATOM 260 OE1 GLN A 15 12.353 6.204 -9.774 1.00 0.00 O ATOM 261 NE2 GLN A 15 12.627 4.524 -11.239 1.00 0.00 N ATOM 0 H GLN A 15 9.634 3.219 -8.705 1.00 0.00 H new ATOM 0 HA GLN A 15 11.286 5.294 -7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.610 5.379 -9.348 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.757 6.703 -9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.206 3.977 -10.553 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.958 5.491 -11.400 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.191 3.794 -11.803 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.639 4.651 -11.263 1.00 0.00 H new ATOM 270 N GLN A 16 8.239 5.525 -6.619 1.00 0.00 N ATOM 271 CA GLN A 16 7.467 6.136 -5.544 1.00 0.00 C ATOM 272 C GLN A 16 8.110 5.863 -4.188 1.00 0.00 C ATOM 273 O GLN A 16 7.986 6.661 -3.258 1.00 0.00 O ATOM 274 CB GLN A 16 6.031 5.609 -5.555 1.00 0.00 C ATOM 275 CG GLN A 16 5.341 5.753 -6.903 1.00 0.00 C ATOM 276 CD GLN A 16 4.399 6.939 -6.953 1.00 0.00 C ATOM 277 OE1 GLN A 16 4.753 8.046 -6.547 1.00 0.00 O ATOM 278 NE2 GLN A 16 3.189 6.713 -7.452 1.00 0.00 N ATOM 0 H GLN A 16 7.707 4.889 -7.212 1.00 0.00 H new ATOM 0 HA GLN A 16 7.453 7.213 -5.709 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.036 4.557 -5.269 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.451 6.141 -4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.095 5.860 -7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.784 4.842 -7.121 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.938 5.779 -7.777 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.511 7.473 -7.510 1.00 0.00 H new ATOM 287 N LEU A 17 8.798 4.731 -4.082 1.00 0.00 N ATOM 288 CA LEU A 17 9.461 4.352 -2.840 1.00 0.00 C ATOM 289 C LEU A 17 10.887 4.893 -2.797 1.00 0.00 C ATOM 290 O LEU A 17 11.538 4.868 -1.753 1.00 0.00 O ATOM 291 CB LEU A 17 9.475 2.830 -2.690 1.00 0.00 C ATOM 292 CG LEU A 17 8.146 2.181 -2.303 1.00 0.00 C ATOM 293 CD1 LEU A 17 8.092 0.743 -2.795 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.942 2.240 -0.797 1.00 0.00 C ATOM 0 H LEU A 17 8.911 4.060 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 17 8.902 4.787 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.808 2.395 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.218 2.566 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 17 7.339 2.737 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.139 0.297 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.191 0.726 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.907 0.174 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.991 1.773 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.753 1.709 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.936 3.280 -0.471 1.00 0.00 H new ATOM 306 N GLU A 18 11.363 5.382 -3.937 1.00 0.00 N ATOM 307 CA GLU A 18 12.712 5.930 -4.028 1.00 0.00 C ATOM 308 C GLU A 18 12.803 7.272 -3.309 1.00 0.00 C ATOM 309 O GLU A 18 13.778 7.548 -2.609 1.00 0.00 O ATOM 310 CB GLU A 18 13.121 6.094 -5.493 1.00 0.00 C ATOM 311 CG GLU A 18 13.480 4.785 -6.176 1.00 0.00 C ATOM 312 CD GLU A 18 14.977 4.585 -6.305 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.664 5.523 -6.762 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.462 3.491 -5.949 1.00 0.00 O ATOM 0 H GLU A 18 10.836 5.410 -4.810 1.00 0.00 H new ATOM 0 HA GLU A 18 13.395 5.232 -3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.304 6.566 -6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.975 6.769 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.054 3.956 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.027 4.761 -7.167 1.00 0.00 H new ATOM 321 N ILE A 19 11.782 8.103 -3.488 1.00 0.00 N ATOM 322 CA ILE A 19 11.747 9.416 -2.856 1.00 0.00 C ATOM 323 C ILE A 19 12.177 9.336 -1.395 1.00 0.00 C ATOM 324 O ILE A 19 12.870 10.220 -0.891 1.00 0.00 O ATOM 325 CB ILE A 19 10.341 10.040 -2.932 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.815 9.994 -4.368 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.368 11.472 -2.418 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.643 9.055 -4.552 1.00 0.00 C ATOM 0 H ILE A 19 10.968 7.891 -4.065 1.00 0.00 H new ATOM 0 HA ILE A 19 12.447 10.048 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 19 9.668 9.460 -2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.517 10.998 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.623 9.688 -5.033 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.367 11.899 -2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.704 11.480 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.052 12.064 -3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.322 9.073 -5.594 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.942 8.042 -4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.819 9.372 -3.913 1.00 0.00 H new ATOM 340 N LEU A 20 11.763 8.269 -0.721 1.00 0.00 N ATOM 341 CA LEU A 20 12.106 8.070 0.683 1.00 0.00 C ATOM 342 C LEU A 20 13.361 7.213 0.821 1.00 0.00 C ATOM 343 O LEU A 20 14.376 7.664 1.350 1.00 0.00 O ATOM 344 CB LEU A 20 10.942 7.413 1.426 1.00 0.00 C ATOM 345 CG LEU A 20 9.556 7.610 0.810 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.328 9.074 0.466 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.393 6.738 -0.427 1.00 0.00 C ATOM 0 H LEU A 20 11.189 7.528 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 20 12.305 9.047 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.138 6.343 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.923 7.800 2.445 1.00 0.00 H new ATOM 0 HG LEU A 20 8.808 7.309 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.337 9.195 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.401 9.676 1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.082 9.401 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.401 6.891 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.149 7.007 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.512 5.690 -0.152 1.00 0.00 H new ATOM 359 N GLU A 21 13.283 5.977 0.339 1.00 0.00 N ATOM 360 CA GLU A 21 14.413 5.058 0.407 1.00 0.00 C ATOM 361 C GLU A 21 15.711 5.762 0.022 1.00 0.00 C ATOM 362 O GLU A 21 16.792 5.393 0.482 1.00 0.00 O ATOM 363 CB GLU A 21 14.179 3.857 -0.511 1.00 0.00 C ATOM 364 CG GLU A 21 14.624 2.535 0.090 1.00 0.00 C ATOM 365 CD GLU A 21 14.954 1.496 -0.964 1.00 0.00 C ATOM 366 OE1 GLU A 21 14.066 1.179 -1.783 1.00 0.00 O ATOM 367 OE2 GLU A 21 16.100 1.000 -0.970 1.00 0.00 O ATOM 0 H GLU A 21 12.450 5.589 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 21 14.501 4.707 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.118 3.797 -0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.712 4.018 -1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.500 2.702 0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.836 2.152 0.738 1.00 0.00 H new ATOM 374 N THR A 22 15.596 6.779 -0.827 1.00 0.00 N ATOM 375 CA THR A 22 16.758 7.534 -1.277 1.00 0.00 C ATOM 376 C THR A 22 17.003 8.748 -0.388 1.00 0.00 C ATOM 377 O THR A 22 18.107 8.945 0.121 1.00 0.00 O ATOM 378 CB THR A 22 16.593 8.004 -2.735 1.00 0.00 C ATOM 379 OG1 THR A 22 16.211 6.901 -3.564 1.00 0.00 O ATOM 380 CG2 THR A 22 17.886 8.613 -3.257 1.00 0.00 C ATOM 0 H THR A 22 14.709 7.098 -1.217 1.00 0.00 H new ATOM 0 HA THR A 22 17.614 6.863 -1.214 1.00 0.00 H new ATOM 0 HB THR A 22 15.814 8.766 -2.762 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.250 6.734 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.745 8.937 -4.288 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.159 9.470 -2.641 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.681 7.869 -3.216 1.00 0.00 H new ATOM 388 N LEU A 23 15.967 9.560 -0.206 1.00 0.00 N ATOM 389 CA LEU A 23 16.069 10.756 0.623 1.00 0.00 C ATOM 390 C LEU A 23 16.079 10.393 2.105 1.00 0.00 C ATOM 391 O LEU A 23 17.071 10.609 2.801 1.00 0.00 O ATOM 392 CB LEU A 23 14.907 11.706 0.328 1.00 0.00 C ATOM 393 CG LEU A 23 15.054 13.132 0.860 1.00 0.00 C ATOM 394 CD1 LEU A 23 14.053 14.058 0.187 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.876 13.158 2.371 1.00 0.00 C ATOM 0 H LEU A 23 15.047 9.412 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 23 17.008 11.254 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.769 11.755 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.997 11.276 0.746 1.00 0.00 H new ATOM 0 HG LEU A 23 16.058 13.485 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.172 15.068 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.228 14.062 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.041 13.708 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.984 14.181 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.884 12.785 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.632 12.527 2.837 1.00 0.00 H new ATOM 407 N PHE A 24 14.970 9.837 2.580 1.00 0.00 N ATOM 408 CA PHE A 24 14.851 9.442 3.979 1.00 0.00 C ATOM 409 C PHE A 24 16.108 8.714 4.447 1.00 0.00 C ATOM 410 O PHE A 24 16.516 8.838 5.601 1.00 0.00 O ATOM 411 CB PHE A 24 13.626 8.546 4.176 1.00 0.00 C ATOM 412 CG PHE A 24 13.525 7.964 5.557 1.00 0.00 C ATOM 413 CD1 PHE A 24 13.167 8.759 6.633 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.789 6.622 5.778 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.073 8.227 7.905 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.695 6.084 7.048 1.00 0.00 C ATOM 417 CZ PHE A 24 13.338 6.888 8.113 1.00 0.00 C ATOM 0 H PHE A 24 14.140 9.650 2.017 1.00 0.00 H new ATOM 0 HA PHE A 24 14.731 10.346 4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.726 9.124 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.659 7.734 3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 24 12.959 9.807 6.476 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.071 5.989 4.949 1.00 0.00 H new ATOM 0 HE1 PHE A 24 12.793 8.858 8.735 1.00 0.00 H new ATOM 0 HE2 PHE A 24 13.901 5.036 7.207 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.266 6.470 9.106 1.00 0.00 H new ATOM 427 N ASN A 25 16.717 7.955 3.542 1.00 0.00 N ATOM 428 CA ASN A 25 17.927 7.206 3.861 1.00 0.00 C ATOM 429 C ASN A 25 19.157 8.106 3.793 1.00 0.00 C ATOM 430 O ASN A 25 20.028 8.048 4.661 1.00 0.00 O ATOM 431 CB ASN A 25 18.090 6.026 2.901 1.00 0.00 C ATOM 432 CG ASN A 25 19.118 5.023 3.387 1.00 0.00 C ATOM 433 OD1 ASN A 25 20.321 5.214 3.209 1.00 0.00 O ATOM 434 ND2 ASN A 25 18.647 3.946 4.005 1.00 0.00 N ATOM 0 H ASN A 25 16.392 7.842 2.582 1.00 0.00 H new ATOM 0 HA ASN A 25 17.832 6.827 4.878 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.129 5.526 2.777 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.385 6.398 1.920 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.291 3.236 4.354 1.00 0.00 H new ATOM 0 HD22 ASN A 25 17.642 3.829 4.131 1.00 0.00 H new ATOM 441 N GLU A 26 19.220 8.936 2.757 1.00 0.00 N ATOM 442 CA GLU A 26 20.344 9.848 2.577 1.00 0.00 C ATOM 443 C GLU A 26 20.570 10.687 3.831 1.00 0.00 C ATOM 444 O GLU A 26 21.698 10.822 4.307 1.00 0.00 O ATOM 445 CB GLU A 26 20.099 10.763 1.375 1.00 0.00 C ATOM 446 CG GLU A 26 21.203 11.782 1.151 1.00 0.00 C ATOM 447 CD GLU A 26 22.588 11.186 1.312 1.00 0.00 C ATOM 448 OE1 GLU A 26 22.931 10.267 0.539 1.00 0.00 O ATOM 449 OE2 GLU A 26 23.329 11.639 2.209 1.00 0.00 O ATOM 0 H GLU A 26 18.507 8.996 2.030 1.00 0.00 H new ATOM 0 HA GLU A 26 21.238 9.251 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.993 10.151 0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.154 11.288 1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 26 21.107 12.203 0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.081 12.605 1.856 1.00 0.00 H new ATOM 456 N THR A 27 19.490 11.250 4.363 1.00 0.00 N ATOM 457 CA THR A 27 19.569 12.077 5.560 1.00 0.00 C ATOM 458 C THR A 27 18.190 12.572 5.979 1.00 0.00 C ATOM 459 O THR A 27 17.211 12.393 5.256 1.00 0.00 O ATOM 460 CB THR A 27 20.494 13.290 5.344 1.00 0.00 C ATOM 461 OG1 THR A 27 20.744 13.474 3.946 1.00 0.00 O ATOM 462 CG2 THR A 27 21.812 13.104 6.080 1.00 0.00 C ATOM 0 H THR A 27 18.549 11.148 3.983 1.00 0.00 H new ATOM 0 HA THR A 27 19.982 11.450 6.350 1.00 0.00 H new ATOM 0 HB THR A 27 19.995 14.174 5.742 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.331 14.248 3.818 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.448 13.973 5.912 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.620 12.995 7.147 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.313 12.210 5.708 1.00 0.00 H new ATOM 470 N GLN A 28 18.121 13.197 7.150 1.00 0.00 N ATOM 471 CA GLN A 28 16.860 13.718 7.665 1.00 0.00 C ATOM 472 C GLN A 28 16.763 15.224 7.444 1.00 0.00 C ATOM 473 O GLN A 28 16.364 15.968 8.341 1.00 0.00 O ATOM 474 CB GLN A 28 16.722 13.398 9.154 1.00 0.00 C ATOM 475 CG GLN A 28 16.653 11.909 9.453 1.00 0.00 C ATOM 476 CD GLN A 28 16.967 11.590 10.902 1.00 0.00 C ATOM 477 OE1 GLN A 28 16.090 11.636 11.764 1.00 0.00 O ATOM 478 NE2 GLN A 28 18.225 11.263 11.177 1.00 0.00 N ATOM 0 H GLN A 28 18.923 13.355 7.760 1.00 0.00 H new ATOM 0 HA GLN A 28 16.047 13.237 7.121 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.568 13.829 9.689 1.00 0.00 H new ATOM 0 HB3 GLN A 28 15.823 13.879 9.539 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.656 11.539 9.211 1.00 0.00 H new ATOM 0 HG3 GLN A 28 17.354 11.380 8.808 1.00 0.00 H new ATOM 0 HE21 GLN A 28 18.920 11.237 10.431 1.00 0.00 H new ATOM 0 HE22 GLN A 28 18.496 11.038 12.134 1.00 0.00 H new ATOM 487 N TYR A 29 17.129 15.666 6.247 1.00 0.00 N ATOM 488 CA TYR A 29 17.086 17.084 5.910 1.00 0.00 C ATOM 489 C TYR A 29 16.016 17.361 4.858 1.00 0.00 C ATOM 490 O TYR A 29 16.304 17.535 3.673 1.00 0.00 O ATOM 491 CB TYR A 29 18.451 17.550 5.400 1.00 0.00 C ATOM 492 CG TYR A 29 19.583 17.278 6.366 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.407 17.437 7.735 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.827 16.864 5.908 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.438 17.190 8.620 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.864 16.614 6.787 1.00 0.00 C ATOM 497 CZ TYR A 29 21.664 16.778 8.142 1.00 0.00 C ATOM 498 OH TYR A 29 22.695 16.531 9.020 1.00 0.00 O ATOM 0 H TYR A 29 17.459 15.063 5.493 1.00 0.00 H new ATOM 0 HA TYR A 29 16.834 17.639 6.814 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.665 17.053 4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.408 18.620 5.196 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.448 17.759 8.113 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.987 16.735 4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.285 17.319 9.681 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.825 16.292 6.415 1.00 0.00 H new ATOM 0 HH TYR A 29 23.489 16.248 8.521 1.00 0.00 H new ATOM 508 N PRO A 30 14.751 17.404 5.300 1.00 0.00 N ATOM 509 CA PRO A 30 13.611 17.662 4.414 1.00 0.00 C ATOM 510 C PRO A 30 13.586 19.099 3.905 1.00 0.00 C ATOM 511 O PRO A 30 12.827 19.930 4.402 1.00 0.00 O ATOM 512 CB PRO A 30 12.399 17.390 5.308 1.00 0.00 C ATOM 513 CG PRO A 30 12.890 17.624 6.694 1.00 0.00 C ATOM 514 CD PRO A 30 14.335 17.206 6.698 1.00 0.00 C ATOM 0 HA PRO A 30 13.644 17.044 3.517 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.570 18.055 5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.036 16.370 5.184 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.786 18.673 6.973 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.314 17.044 7.415 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.927 17.813 7.383 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.452 16.168 7.009 1.00 0.00 H new ATOM 522 N ASP A 31 14.419 19.384 2.910 1.00 0.00 N ATOM 523 CA ASP A 31 14.491 20.721 2.332 1.00 0.00 C ATOM 524 C ASP A 31 14.333 20.666 0.816 1.00 0.00 C ATOM 525 O ASP A 31 14.284 19.587 0.225 1.00 0.00 O ATOM 526 CB ASP A 31 15.820 21.386 2.695 1.00 0.00 C ATOM 527 CG ASP A 31 16.021 21.497 4.194 1.00 0.00 C ATOM 528 OD1 ASP A 31 16.544 20.535 4.795 1.00 0.00 O ATOM 529 OD2 ASP A 31 15.656 22.546 4.765 1.00 0.00 O ATOM 0 H ASP A 31 15.054 18.707 2.487 1.00 0.00 H new ATOM 0 HA ASP A 31 13.673 21.313 2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.640 20.813 2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.858 22.381 2.251 1.00 0.00 H new ATOM 534 N VAL A 32 14.252 21.837 0.192 1.00 0.00 N ATOM 535 CA VAL A 32 14.099 21.923 -1.256 1.00 0.00 C ATOM 536 C VAL A 32 15.168 21.104 -1.971 1.00 0.00 C ATOM 537 O VAL A 32 14.877 20.383 -2.926 1.00 0.00 O ATOM 538 CB VAL A 32 14.176 23.382 -1.742 1.00 0.00 C ATOM 539 CG1 VAL A 32 12.923 24.146 -1.341 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.422 24.061 -1.195 1.00 0.00 C ATOM 0 H VAL A 32 14.290 22.739 0.666 1.00 0.00 H new ATOM 0 HA VAL A 32 13.115 21.519 -1.495 1.00 0.00 H new ATOM 0 HB VAL A 32 14.239 23.381 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.996 25.175 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.049 23.671 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.825 24.140 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.460 25.091 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.393 24.052 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.308 23.527 -1.538 1.00 0.00 H new ATOM 550 N PHE A 33 16.406 21.218 -1.502 1.00 0.00 N ATOM 551 CA PHE A 33 17.519 20.488 -2.096 1.00 0.00 C ATOM 552 C PHE A 33 17.236 18.989 -2.121 1.00 0.00 C ATOM 553 O PHE A 33 17.797 18.254 -2.933 1.00 0.00 O ATOM 554 CB PHE A 33 18.809 20.762 -1.320 1.00 0.00 C ATOM 555 CG PHE A 33 19.924 21.290 -2.177 1.00 0.00 C ATOM 556 CD1 PHE A 33 19.893 22.591 -2.653 1.00 0.00 C ATOM 557 CD2 PHE A 33 21.003 20.486 -2.506 1.00 0.00 C ATOM 558 CE1 PHE A 33 20.917 23.079 -3.442 1.00 0.00 C ATOM 559 CE2 PHE A 33 22.031 20.969 -3.295 1.00 0.00 C ATOM 560 CZ PHE A 33 21.988 22.267 -3.762 1.00 0.00 C ATOM 0 H PHE A 33 16.664 21.809 -0.712 1.00 0.00 H new ATOM 0 HA PHE A 33 17.640 20.834 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.601 21.480 -0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.137 19.841 -0.839 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.059 23.231 -2.405 1.00 0.00 H new ATOM 0 HD2 PHE A 33 21.042 19.470 -2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.880 24.094 -3.808 1.00 0.00 H new ATOM 0 HE2 PHE A 33 22.866 20.332 -3.545 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.790 22.647 -4.377 1.00 0.00 H new ATOM 570 N ALA A 34 16.361 18.544 -1.225 1.00 0.00 N ATOM 571 CA ALA A 34 16.001 17.133 -1.144 1.00 0.00 C ATOM 572 C ALA A 34 14.859 16.803 -2.098 1.00 0.00 C ATOM 573 O ALA A 34 15.029 16.031 -3.042 1.00 0.00 O ATOM 574 CB ALA A 34 15.622 16.766 0.283 1.00 0.00 C ATOM 0 H ALA A 34 15.888 19.140 -0.545 1.00 0.00 H new ATOM 0 HA ALA A 34 16.869 16.544 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.356 15.710 0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.467 16.956 0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.771 17.369 0.600 1.00 0.00 H new ATOM 580 N ARG A 35 13.694 17.391 -1.846 1.00 0.00 N ATOM 581 CA ARG A 35 12.523 17.157 -2.682 1.00 0.00 C ATOM 582 C ARG A 35 12.826 17.474 -4.143 1.00 0.00 C ATOM 583 O ARG A 35 12.487 16.701 -5.039 1.00 0.00 O ATOM 584 CB ARG A 35 11.346 18.007 -2.198 1.00 0.00 C ATOM 585 CG ARG A 35 11.665 19.490 -2.103 1.00 0.00 C ATOM 586 CD ARG A 35 10.616 20.234 -1.291 1.00 0.00 C ATOM 587 NE ARG A 35 10.954 20.279 0.129 1.00 0.00 N ATOM 588 CZ ARG A 35 10.452 21.171 0.976 1.00 0.00 C ATOM 589 NH1 ARG A 35 9.595 22.088 0.548 1.00 0.00 N ATOM 590 NH2 ARG A 35 10.808 21.148 2.254 1.00 0.00 N ATOM 0 H ARG A 35 13.536 18.033 -1.069 1.00 0.00 H new ATOM 0 HA ARG A 35 12.257 16.103 -2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.505 17.868 -2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.028 17.649 -1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.645 19.624 -1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.721 19.916 -3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.516 21.250 -1.672 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.648 19.749 -1.418 1.00 0.00 H new ATOM 0 HE ARG A 35 11.611 19.588 0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.320 22.110 -0.434 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.211 22.772 1.201 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.468 20.445 2.587 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.422 21.833 2.903 1.00 0.00 H new ATOM 604 N GLU A 36 13.466 18.616 -4.376 1.00 0.00 N ATOM 605 CA GLU A 36 13.813 19.034 -5.729 1.00 0.00 C ATOM 606 C GLU A 36 14.754 18.028 -6.385 1.00 0.00 C ATOM 607 O GLU A 36 14.808 17.920 -7.610 1.00 0.00 O ATOM 608 CB GLU A 36 14.464 20.419 -5.707 1.00 0.00 C ATOM 609 CG GLU A 36 14.719 20.994 -7.090 1.00 0.00 C ATOM 610 CD GLU A 36 14.835 22.506 -7.081 1.00 0.00 C ATOM 611 OE1 GLU A 36 14.999 23.081 -5.985 1.00 0.00 O ATOM 612 OE2 GLU A 36 14.762 23.113 -8.170 1.00 0.00 O ATOM 0 H GLU A 36 13.754 19.267 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 36 12.895 19.081 -6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.823 21.103 -5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.410 20.358 -5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.636 20.565 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.909 20.699 -7.757 1.00 0.00 H new ATOM 619 N ARG A 37 15.495 17.295 -5.560 1.00 0.00 N ATOM 620 CA ARG A 37 16.435 16.299 -6.059 1.00 0.00 C ATOM 621 C ARG A 37 15.707 15.025 -6.477 1.00 0.00 C ATOM 622 O ARG A 37 15.719 14.647 -7.649 1.00 0.00 O ATOM 623 CB ARG A 37 17.481 15.974 -4.991 1.00 0.00 C ATOM 624 CG ARG A 37 18.496 14.931 -5.430 1.00 0.00 C ATOM 625 CD ARG A 37 18.268 13.602 -4.726 1.00 0.00 C ATOM 626 NE ARG A 37 19.502 12.830 -4.603 1.00 0.00 N ATOM 627 CZ ARG A 37 20.432 13.072 -3.686 1.00 0.00 C ATOM 628 NH1 ARG A 37 20.270 14.060 -2.817 1.00 0.00 N ATOM 629 NH2 ARG A 37 21.528 12.325 -3.638 1.00 0.00 N ATOM 0 H ARG A 37 15.462 17.372 -4.543 1.00 0.00 H new ATOM 0 HA ARG A 37 16.935 16.715 -6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 37 18.007 16.889 -4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.974 15.620 -4.094 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.430 14.789 -6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.503 15.289 -5.217 1.00 0.00 H new ATOM 0 HD2 ARG A 37 17.853 13.783 -3.734 1.00 0.00 H new ATOM 0 HD3 ARG A 37 17.530 13.021 -5.279 1.00 0.00 H new ATOM 0 HE ARG A 37 19.658 12.063 -5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 37 19.429 14.637 -2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.986 14.243 -2.114 1.00 0.00 H new ATOM 0 HH21 ARG A 37 21.657 11.565 -4.306 1.00 0.00 H new ATOM 0 HH22 ARG A 37 22.242 12.511 -2.934 1.00 0.00 H new ATOM 643 N VAL A 38 15.075 14.366 -5.511 1.00 0.00 N ATOM 644 CA VAL A 38 14.341 13.135 -5.779 1.00 0.00 C ATOM 645 C VAL A 38 13.308 13.340 -6.881 1.00 0.00 C ATOM 646 O VAL A 38 12.900 12.389 -7.547 1.00 0.00 O ATOM 647 CB VAL A 38 13.631 12.619 -4.514 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.625 11.948 -3.579 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.907 13.756 -3.808 1.00 0.00 C ATOM 0 H VAL A 38 15.057 14.664 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 38 15.072 12.395 -6.104 1.00 0.00 H new ATOM 0 HB VAL A 38 12.891 11.876 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.104 11.590 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.093 11.106 -4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.391 12.666 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.411 13.373 -2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.626 14.523 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.164 14.187 -4.480 1.00 0.00 H new ATOM 659 N ALA A 39 12.890 14.587 -7.068 1.00 0.00 N ATOM 660 CA ALA A 39 11.906 14.917 -8.092 1.00 0.00 C ATOM 661 C ALA A 39 12.371 14.457 -9.469 1.00 0.00 C ATOM 662 O ALA A 39 11.556 14.129 -10.332 1.00 0.00 O ATOM 663 CB ALA A 39 11.633 16.414 -8.098 1.00 0.00 C ATOM 0 H ALA A 39 13.217 15.386 -6.524 1.00 0.00 H new ATOM 0 HA ALA A 39 10.981 14.391 -7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.897 16.646 -8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.249 16.718 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.558 16.952 -8.307 1.00 0.00 H new ATOM 669 N ASP A 40 13.684 14.435 -9.668 1.00 0.00 N ATOM 670 CA ASP A 40 14.257 14.015 -10.941 1.00 0.00 C ATOM 671 C ASP A 40 14.402 12.497 -10.997 1.00 0.00 C ATOM 672 O ASP A 40 14.591 11.922 -12.068 1.00 0.00 O ATOM 673 CB ASP A 40 15.619 14.677 -11.156 1.00 0.00 C ATOM 674 CG ASP A 40 16.037 14.684 -12.613 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.331 15.312 -13.430 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.070 14.061 -12.936 1.00 0.00 O ATOM 0 H ASP A 40 14.372 14.703 -8.964 1.00 0.00 H new ATOM 0 HA ASP A 40 13.580 14.328 -11.736 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.584 15.702 -10.786 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.372 14.152 -10.568 1.00 0.00 H new ATOM 681 N GLN A 41 14.312 11.856 -9.836 1.00 0.00 N ATOM 682 CA GLN A 41 14.434 10.405 -9.754 1.00 0.00 C ATOM 683 C GLN A 41 13.147 9.724 -10.206 1.00 0.00 C ATOM 684 O GLN A 41 13.171 8.838 -11.062 1.00 0.00 O ATOM 685 CB GLN A 41 14.774 9.982 -8.324 1.00 0.00 C ATOM 686 CG GLN A 41 16.151 10.436 -7.865 1.00 0.00 C ATOM 687 CD GLN A 41 17.251 9.485 -8.293 1.00 0.00 C ATOM 688 OE1 GLN A 41 18.109 9.835 -9.104 1.00 0.00 O ATOM 689 NE2 GLN A 41 17.232 8.274 -7.749 1.00 0.00 N ATOM 0 H GLN A 41 14.155 12.318 -8.940 1.00 0.00 H new ATOM 0 HA GLN A 41 15.240 10.095 -10.419 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.023 10.387 -7.646 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.716 8.896 -8.252 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.356 11.428 -8.269 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.156 10.527 -6.779 1.00 0.00 H new ATOM 0 HE21 GLN A 41 16.502 8.026 -7.081 1.00 0.00 H new ATOM 0 HE22 GLN A 41 17.947 7.591 -7.999 1.00 0.00 H new ATOM 698 N ILE A 42 12.027 10.142 -9.627 1.00 0.00 N ATOM 699 CA ILE A 42 10.731 9.571 -9.972 1.00 0.00 C ATOM 700 C ILE A 42 10.056 10.371 -11.081 1.00 0.00 C ATOM 701 O ILE A 42 8.992 9.994 -11.574 1.00 0.00 O ATOM 702 CB ILE A 42 9.795 9.520 -8.750 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.192 10.901 -8.483 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.549 9.019 -7.527 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.127 10.897 -7.409 1.00 0.00 C ATOM 0 H ILE A 42 11.991 10.874 -8.917 1.00 0.00 H new ATOM 0 HA ILE A 42 10.917 8.555 -10.320 1.00 0.00 H new ATOM 0 HB ILE A 42 8.982 8.825 -8.962 1.00 0.00 H new ATOM 0 HG12 ILE A 42 9.988 11.586 -8.192 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.763 11.286 -9.408 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.875 8.988 -6.671 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.934 8.018 -7.722 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.379 9.691 -7.311 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.744 11.908 -7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.312 10.238 -7.707 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.556 10.542 -6.472 1.00 0.00 H new ATOM 717 N ARG A 43 10.682 11.477 -11.471 1.00 0.00 N ATOM 718 CA ARG A 43 10.142 12.330 -12.523 1.00 0.00 C ATOM 719 C ARG A 43 8.854 13.009 -12.065 1.00 0.00 C ATOM 720 O ARG A 43 7.805 12.862 -12.693 1.00 0.00 O ATOM 721 CB ARG A 43 9.878 11.511 -13.788 1.00 0.00 C ATOM 722 CG ARG A 43 9.749 12.356 -15.045 1.00 0.00 C ATOM 723 CD ARG A 43 11.040 13.102 -15.349 1.00 0.00 C ATOM 724 NE ARG A 43 10.993 13.768 -16.647 1.00 0.00 N ATOM 725 CZ ARG A 43 10.277 14.861 -16.887 1.00 0.00 C ATOM 726 NH1 ARG A 43 9.552 15.408 -15.921 1.00 0.00 N ATOM 727 NH2 ARG A 43 10.287 15.410 -18.095 1.00 0.00 N ATOM 0 H ARG A 43 11.563 11.803 -11.074 1.00 0.00 H new ATOM 0 HA ARG A 43 10.880 13.101 -12.745 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.689 10.795 -13.923 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.963 10.934 -13.653 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.489 11.717 -15.889 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.935 13.070 -14.923 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.224 13.841 -14.569 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.876 12.403 -15.330 1.00 0.00 H new ATOM 0 HE ARG A 43 11.540 13.372 -17.412 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.543 14.990 -14.991 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.003 16.247 -16.108 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.845 14.993 -18.840 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.737 16.249 -18.278 1.00 0.00 H new ATOM 741 N LEU A 44 8.942 13.752 -10.967 1.00 0.00 N ATOM 742 CA LEU A 44 7.784 14.453 -10.424 1.00 0.00 C ATOM 743 C LEU A 44 8.163 15.859 -9.968 1.00 0.00 C ATOM 744 O LEU A 44 9.341 16.166 -9.791 1.00 0.00 O ATOM 745 CB LEU A 44 7.189 13.668 -9.254 1.00 0.00 C ATOM 746 CG LEU A 44 5.866 14.193 -8.696 1.00 0.00 C ATOM 747 CD1 LEU A 44 4.823 14.290 -9.798 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.371 13.301 -7.567 1.00 0.00 C ATOM 0 H LEU A 44 9.803 13.884 -10.436 1.00 0.00 H new ATOM 0 HA LEU A 44 7.038 14.536 -11.214 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.042 12.636 -9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.920 13.651 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 44 6.034 15.192 -8.295 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.888 14.665 -9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.175 14.971 -10.573 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.657 13.303 -10.230 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.428 13.690 -7.182 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.219 12.289 -7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.110 13.284 -6.766 1.00 0.00 H new ATOM 760 N GLN A 45 7.156 16.705 -9.778 1.00 0.00 N ATOM 761 CA GLN A 45 7.385 18.077 -9.341 1.00 0.00 C ATOM 762 C GLN A 45 8.156 18.108 -8.025 1.00 0.00 C ATOM 763 O GLN A 45 8.013 17.215 -7.191 1.00 0.00 O ATOM 764 CB GLN A 45 6.054 18.813 -9.182 1.00 0.00 C ATOM 765 CG GLN A 45 5.877 19.969 -10.154 1.00 0.00 C ATOM 766 CD GLN A 45 4.420 20.298 -10.411 1.00 0.00 C ATOM 767 OE1 GLN A 45 3.787 19.719 -11.294 1.00 0.00 O ATOM 768 NE2 GLN A 45 3.880 21.234 -9.639 1.00 0.00 N ATOM 0 H GLN A 45 6.175 16.465 -9.920 1.00 0.00 H new ATOM 0 HA GLN A 45 7.981 18.579 -10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.238 18.104 -9.321 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.977 19.191 -8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.380 20.851 -9.759 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.362 19.722 -11.099 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.442 21.688 -8.919 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.903 21.499 -9.766 1.00 0.00 H new ATOM 777 N GLU A 46 8.974 19.141 -7.848 1.00 0.00 N ATOM 778 CA GLU A 46 9.769 19.286 -6.634 1.00 0.00 C ATOM 779 C GLU A 46 8.871 19.498 -5.418 1.00 0.00 C ATOM 780 O GLU A 46 9.080 18.893 -4.367 1.00 0.00 O ATOM 781 CB GLU A 46 10.743 20.458 -6.773 1.00 0.00 C ATOM 782 CG GLU A 46 10.067 21.773 -7.122 1.00 0.00 C ATOM 783 CD GLU A 46 10.905 22.631 -8.050 1.00 0.00 C ATOM 784 OE1 GLU A 46 10.947 22.330 -9.261 1.00 0.00 O ATOM 785 OE2 GLU A 46 11.518 23.605 -7.564 1.00 0.00 O ATOM 0 H GLU A 46 9.103 19.889 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 46 10.336 18.367 -6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.290 20.577 -5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.476 20.220 -7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.105 21.569 -7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.863 22.327 -6.206 1.00 0.00 H new ATOM 792 N SER A 47 7.872 20.361 -5.571 1.00 0.00 N ATOM 793 CA SER A 47 6.944 20.656 -4.485 1.00 0.00 C ATOM 794 C SER A 47 5.885 19.565 -4.363 1.00 0.00 C ATOM 795 O SER A 47 5.266 19.401 -3.312 1.00 0.00 O ATOM 796 CB SER A 47 6.272 22.011 -4.715 1.00 0.00 C ATOM 797 OG SER A 47 7.202 22.967 -5.194 1.00 0.00 O ATOM 0 H SER A 47 7.684 20.868 -6.436 1.00 0.00 H new ATOM 0 HA SER A 47 7.512 20.692 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.458 21.900 -5.432 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.830 22.364 -3.783 1.00 0.00 H new ATOM 0 HG SER A 47 6.747 23.824 -5.335 1.00 0.00 H new ATOM 803 N ARG A 48 5.684 18.821 -5.446 1.00 0.00 N ATOM 804 CA ARG A 48 4.699 17.746 -5.461 1.00 0.00 C ATOM 805 C ARG A 48 5.250 16.494 -4.784 1.00 0.00 C ATOM 806 O ARG A 48 4.562 15.853 -3.990 1.00 0.00 O ATOM 807 CB ARG A 48 4.289 17.422 -6.899 1.00 0.00 C ATOM 808 CG ARG A 48 3.245 16.322 -7.001 1.00 0.00 C ATOM 809 CD ARG A 48 1.952 16.715 -6.304 1.00 0.00 C ATOM 810 NE ARG A 48 0.810 15.949 -6.796 1.00 0.00 N ATOM 811 CZ ARG A 48 0.277 16.115 -8.001 1.00 0.00 C ATOM 812 NH1 ARG A 48 0.781 17.016 -8.833 1.00 0.00 N ATOM 813 NH2 ARG A 48 -0.761 15.379 -8.376 1.00 0.00 N ATOM 0 H ARG A 48 6.190 18.943 -6.323 1.00 0.00 H new ATOM 0 HA ARG A 48 3.823 18.082 -4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.900 18.325 -7.369 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.174 17.125 -7.462 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.043 16.107 -8.050 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.635 15.406 -6.557 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.057 16.559 -5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.767 17.779 -6.455 1.00 0.00 H new ATOM 0 HE ARG A 48 0.399 15.248 -6.180 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.579 17.583 -8.548 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.370 17.142 -9.758 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.151 14.685 -7.739 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.169 15.508 -9.302 1.00 0.00 H new ATOM 827 N ILE A 49 6.494 16.154 -5.104 1.00 0.00 N ATOM 828 CA ILE A 49 7.137 14.980 -4.526 1.00 0.00 C ATOM 829 C ILE A 49 7.118 15.037 -3.002 1.00 0.00 C ATOM 830 O ILE A 49 7.215 14.009 -2.332 1.00 0.00 O ATOM 831 CB ILE A 49 8.594 14.844 -5.005 1.00 0.00 C ATOM 832 CG1 ILE A 49 8.968 13.368 -5.158 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.538 15.536 -4.033 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.351 13.150 -5.729 1.00 0.00 C ATOM 0 H ILE A 49 7.077 16.674 -5.760 1.00 0.00 H new ATOM 0 HA ILE A 49 6.570 14.112 -4.862 1.00 0.00 H new ATOM 0 HB ILE A 49 8.687 15.326 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.906 12.883 -4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.237 12.882 -5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.564 15.431 -4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.283 16.594 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.444 15.080 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.547 12.081 -5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.412 13.605 -6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.092 13.607 -5.073 1.00 0.00 H new ATOM 846 N GLN A 50 6.990 16.245 -2.462 1.00 0.00 N ATOM 847 CA GLN A 50 6.956 16.435 -1.017 1.00 0.00 C ATOM 848 C GLN A 50 5.831 15.621 -0.387 1.00 0.00 C ATOM 849 O GLN A 50 6.014 14.993 0.656 1.00 0.00 O ATOM 850 CB GLN A 50 6.780 17.917 -0.680 1.00 0.00 C ATOM 851 CG GLN A 50 7.828 18.451 0.282 1.00 0.00 C ATOM 852 CD GLN A 50 7.563 19.885 0.697 1.00 0.00 C ATOM 853 OE1 GLN A 50 7.192 20.723 -0.126 1.00 0.00 O ATOM 854 NE2 GLN A 50 7.751 20.175 1.979 1.00 0.00 N ATOM 0 H GLN A 50 6.908 17.106 -3.003 1.00 0.00 H new ATOM 0 HA GLN A 50 7.904 16.087 -0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.816 18.497 -1.602 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.791 18.068 -0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.856 17.819 1.170 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.811 18.388 -0.186 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.059 19.449 2.626 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.587 21.123 2.317 1.00 0.00 H new ATOM 863 N VAL A 51 4.666 15.636 -1.026 1.00 0.00 N ATOM 864 CA VAL A 51 3.511 14.899 -0.529 1.00 0.00 C ATOM 865 C VAL A 51 3.747 13.394 -0.601 1.00 0.00 C ATOM 866 O VAL A 51 3.203 12.632 0.198 1.00 0.00 O ATOM 867 CB VAL A 51 2.238 15.246 -1.324 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.113 16.752 -1.500 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.244 14.542 -2.672 1.00 0.00 C ATOM 0 H VAL A 51 4.497 16.151 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 51 3.372 15.193 0.511 1.00 0.00 H new ATOM 0 HB VAL A 51 1.372 14.897 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.208 16.979 -2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.060 17.230 -0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.981 17.128 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.338 14.798 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.116 14.859 -3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.283 13.463 -2.519 1.00 0.00 H new ATOM 879 N TRP A 52 4.561 12.974 -1.562 1.00 0.00 N ATOM 880 CA TRP A 52 4.869 11.559 -1.738 1.00 0.00 C ATOM 881 C TRP A 52 5.993 11.127 -0.802 1.00 0.00 C ATOM 882 O TRP A 52 6.172 9.937 -0.541 1.00 0.00 O ATOM 883 CB TRP A 52 5.261 11.279 -3.190 1.00 0.00 C ATOM 884 CG TRP A 52 4.117 11.407 -4.149 1.00 0.00 C ATOM 885 CD1 TRP A 52 3.696 12.546 -4.774 1.00 0.00 C ATOM 886 CD2 TRP A 52 3.247 10.359 -4.591 1.00 0.00 C ATOM 887 NE1 TRP A 52 2.616 12.269 -5.578 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.322 10.935 -5.484 1.00 0.00 C ATOM 889 CE3 TRP A 52 3.161 8.991 -4.321 1.00 0.00 C ATOM 890 CZ2 TRP A 52 1.324 10.188 -6.106 1.00 0.00 C ATOM 891 CZ3 TRP A 52 2.170 8.252 -4.939 1.00 0.00 C ATOM 892 CH2 TRP A 52 1.263 8.851 -5.823 1.00 0.00 C ATOM 0 H TRP A 52 5.020 13.592 -2.231 1.00 0.00 H new ATOM 0 HA TRP A 52 3.976 10.984 -1.493 1.00 0.00 H new ATOM 0 HB2 TRP A 52 6.052 11.969 -3.485 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.673 10.272 -3.260 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.145 13.521 -4.654 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.115 12.947 -6.152 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.856 8.520 -3.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.624 10.648 -6.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.093 7.194 -4.737 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.501 8.245 -6.290 1.00 0.00 H new ATOM 903 N PHE A 53 6.746 12.099 -0.301 1.00 0.00 N ATOM 904 CA PHE A 53 7.853 11.818 0.606 1.00 0.00 C ATOM 905 C PHE A 53 7.366 11.070 1.844 1.00 0.00 C ATOM 906 O PHE A 53 8.154 10.452 2.560 1.00 0.00 O ATOM 907 CB PHE A 53 8.544 13.119 1.021 1.00 0.00 C ATOM 908 CG PHE A 53 9.677 12.915 1.986 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.740 12.089 1.661 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.678 13.549 3.218 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.784 11.899 2.548 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.719 13.364 4.108 1.00 0.00 C ATOM 913 CZ PHE A 53 11.773 12.538 3.772 1.00 0.00 C ATOM 0 H PHE A 53 6.611 13.089 -0.507 1.00 0.00 H new ATOM 0 HA PHE A 53 8.569 11.187 0.080 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.922 13.620 0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.808 13.784 1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.754 11.588 0.704 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.855 14.195 3.486 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.607 11.252 2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.708 13.865 5.065 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.588 12.392 4.466 1.00 0.00 H new ATOM 923 N LYS A 54 6.062 11.131 2.089 1.00 0.00 N ATOM 924 CA LYS A 54 5.467 10.460 3.239 1.00 0.00 C ATOM 925 C LYS A 54 5.107 9.017 2.900 1.00 0.00 C ATOM 926 O LYS A 54 4.876 8.200 3.791 1.00 0.00 O ATOM 927 CB LYS A 54 4.218 11.212 3.705 1.00 0.00 C ATOM 928 CG LYS A 54 4.035 11.212 5.212 1.00 0.00 C ATOM 929 CD LYS A 54 2.621 10.815 5.602 1.00 0.00 C ATOM 930 CE LYS A 54 2.490 10.627 7.106 1.00 0.00 C ATOM 931 NZ LYS A 54 1.262 9.866 7.465 1.00 0.00 N ATOM 0 H LYS A 54 5.396 11.639 1.506 1.00 0.00 H new ATOM 0 HA LYS A 54 6.201 10.454 4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.273 12.243 3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.340 10.763 3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.746 10.522 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.257 12.203 5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.921 11.581 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.348 9.890 5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.367 10.101 7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.469 11.602 7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.209 9.759 8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.424 10.380 7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.294 8.926 7.021 1.00 0.00 H new ATOM 945 N ASN A 55 5.064 8.710 1.608 1.00 0.00 N ATOM 946 CA ASN A 55 4.733 7.365 1.152 1.00 0.00 C ATOM 947 C ASN A 55 5.387 6.313 2.043 1.00 0.00 C ATOM 948 O ASN A 55 4.712 5.632 2.815 1.00 0.00 O ATOM 949 CB ASN A 55 5.181 7.170 -0.298 1.00 0.00 C ATOM 950 CG ASN A 55 4.871 5.780 -0.817 1.00 0.00 C ATOM 951 OD1 ASN A 55 3.754 5.503 -1.253 1.00 0.00 O ATOM 952 ND2 ASN A 55 5.862 4.897 -0.772 1.00 0.00 N ATOM 0 H ASN A 55 5.254 9.375 0.858 1.00 0.00 H new ATOM 0 HA ASN A 55 3.651 7.245 1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.688 7.909 -0.930 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.253 7.352 -0.372 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.713 3.945 -1.107 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.772 5.171 -0.402 1.00 0.00 H new ATOM 959 N ARG A 56 6.705 6.187 1.931 1.00 0.00 N ATOM 960 CA ARG A 56 7.450 5.218 2.726 1.00 0.00 C ATOM 961 C ARG A 56 7.817 5.799 4.088 1.00 0.00 C ATOM 962 O ARG A 56 7.762 5.107 5.105 1.00 0.00 O ATOM 963 CB ARG A 56 8.718 4.786 1.986 1.00 0.00 C ATOM 964 CG ARG A 56 9.191 3.389 2.353 1.00 0.00 C ATOM 965 CD ARG A 56 10.609 3.408 2.904 1.00 0.00 C ATOM 966 NE ARG A 56 10.891 2.236 3.728 1.00 0.00 N ATOM 967 CZ ARG A 56 11.944 2.140 4.532 1.00 0.00 C ATOM 968 NH1 ARG A 56 12.809 3.142 4.621 1.00 0.00 N ATOM 969 NH2 ARG A 56 12.133 1.041 5.251 1.00 0.00 N ATOM 0 H ARG A 56 7.279 6.744 1.298 1.00 0.00 H new ATOM 0 HA ARG A 56 6.813 4.347 2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.534 4.828 0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.515 5.498 2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.517 2.958 3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.150 2.747 1.473 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.319 3.450 2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.756 4.311 3.496 1.00 0.00 H new ATOM 0 HE ARG A 56 10.244 1.448 3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.666 3.989 4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.617 3.065 5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.469 0.269 5.187 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.942 0.968 5.868 1.00 0.00 H new ATOM 983 N ARG A 57 8.192 7.074 4.100 1.00 0.00 N ATOM 984 CA ARG A 57 8.570 7.748 5.336 1.00 0.00 C ATOM 985 C ARG A 57 7.524 7.517 6.423 1.00 0.00 C ATOM 986 O ARG A 57 7.842 7.501 7.611 1.00 0.00 O ATOM 987 CB ARG A 57 8.745 9.248 5.092 1.00 0.00 C ATOM 988 CG ARG A 57 9.003 10.046 6.360 1.00 0.00 C ATOM 989 CD ARG A 57 7.725 10.678 6.890 1.00 0.00 C ATOM 990 NE ARG A 57 7.990 11.911 7.626 1.00 0.00 N ATOM 991 CZ ARG A 57 8.609 11.948 8.800 1.00 0.00 C ATOM 992 NH1 ARG A 57 9.026 10.825 9.369 1.00 0.00 N ATOM 993 NH2 ARG A 57 8.813 13.109 9.409 1.00 0.00 N ATOM 0 H ARG A 57 8.242 7.661 3.267 1.00 0.00 H new ATOM 0 HA ARG A 57 9.518 7.329 5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.575 9.401 4.402 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.850 9.635 4.605 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.430 9.393 7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.739 10.825 6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.053 10.889 6.058 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.213 9.970 7.541 1.00 0.00 H new ATOM 0 HE ARG A 57 7.683 12.793 7.215 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.871 9.930 8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.501 10.856 10.271 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.494 13.975 8.975 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.289 13.135 10.311 1.00 0.00 H new ATOM 1007 N ALA A 58 6.275 7.340 6.006 1.00 0.00 N ATOM 1008 CA ALA A 58 5.182 7.109 6.943 1.00 0.00 C ATOM 1009 C ALA A 58 5.020 5.622 7.241 1.00 0.00 C ATOM 1010 O ALA A 58 4.655 5.237 8.352 1.00 0.00 O ATOM 1011 CB ALA A 58 3.885 7.684 6.394 1.00 0.00 C ATOM 0 H ALA A 58 5.994 7.352 5.025 1.00 0.00 H new ATOM 0 HA ALA A 58 5.424 7.616 7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.078 7.504 7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.999 8.757 6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.647 7.204 5.445 1.00 0.00 H new ATOM 1017 N LYS A 59 5.291 4.790 6.241 1.00 0.00 N ATOM 1018 CA LYS A 59 5.176 3.345 6.395 1.00 0.00 C ATOM 1019 C LYS A 59 6.050 2.848 7.542 1.00 0.00 C ATOM 1020 O LYS A 59 5.814 1.774 8.094 1.00 0.00 O ATOM 1021 CB LYS A 59 5.572 2.640 5.096 1.00 0.00 C ATOM 1022 CG LYS A 59 4.399 2.021 4.356 1.00 0.00 C ATOM 1023 CD LYS A 59 3.314 3.048 4.074 1.00 0.00 C ATOM 1024 CE LYS A 59 2.730 2.872 2.680 1.00 0.00 C ATOM 1025 NZ LYS A 59 2.031 4.101 2.213 1.00 0.00 N ATOM 0 H LYS A 59 5.592 5.092 5.315 1.00 0.00 H new ATOM 0 HA LYS A 59 4.137 3.111 6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.067 3.356 4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.299 1.861 5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.746 1.590 3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.984 1.205 4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.521 2.955 4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.727 4.052 4.173 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.528 2.620 1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.031 2.035 2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.721 3.971 1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.203 4.280 2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.680 4.912 2.267 1.00 0.00 H new ATOM 1039 N TYR A 60 7.057 3.638 7.897 1.00 0.00 N ATOM 1040 CA TYR A 60 7.967 3.278 8.978 1.00 0.00 C ATOM 1041 C TYR A 60 7.193 2.869 10.227 1.00 0.00 C ATOM 1042 O TYR A 60 7.662 2.057 11.024 1.00 0.00 O ATOM 1043 CB TYR A 60 8.897 4.448 9.301 1.00 0.00 C ATOM 1044 CG TYR A 60 8.346 5.388 10.349 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.236 6.180 10.085 1.00 0.00 C ATOM 1046 CD2 TYR A 60 8.937 5.486 11.603 1.00 0.00 C ATOM 1047 CE1 TYR A 60 6.729 7.041 11.039 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.436 6.343 12.564 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.332 7.119 12.277 1.00 0.00 C ATOM 1050 OH TYR A 60 6.831 7.975 13.231 1.00 0.00 O ATOM 0 H TYR A 60 7.264 4.532 7.452 1.00 0.00 H new ATOM 0 HA TYR A 60 8.565 2.428 8.648 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.855 4.056 9.644 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.091 5.010 8.387 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.761 6.122 9.117 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.803 4.882 11.830 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.865 7.650 10.817 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.906 6.405 13.534 1.00 0.00 H new ATOM 0 HH TYR A 60 7.370 7.908 14.046 1.00 0.00 H new ATOM 1060 N ARG A 61 6.003 3.438 10.391 1.00 0.00 N ATOM 1061 CA ARG A 61 5.162 3.135 11.543 1.00 0.00 C ATOM 1062 C ARG A 61 4.472 1.784 11.372 1.00 0.00 C ATOM 1063 O ARG A 61 4.347 1.014 12.325 1.00 0.00 O ATOM 1064 CB ARG A 61 4.115 4.232 11.741 1.00 0.00 C ATOM 1065 CG ARG A 61 3.833 4.549 13.200 1.00 0.00 C ATOM 1066 CD ARG A 61 2.566 5.374 13.356 1.00 0.00 C ATOM 1067 NE ARG A 61 2.159 5.494 14.754 1.00 0.00 N ATOM 1068 CZ ARG A 61 1.127 6.225 15.159 1.00 0.00 C ATOM 1069 NH1 ARG A 61 0.400 6.897 14.277 1.00 0.00 N ATOM 1070 NH2 ARG A 61 0.819 6.284 16.448 1.00 0.00 N ATOM 0 H ARG A 61 5.599 4.112 9.740 1.00 0.00 H new ATOM 0 HA ARG A 61 5.801 3.089 12.425 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.452 5.139 11.240 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.186 3.928 11.258 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.736 3.621 13.763 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.677 5.092 13.625 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.727 6.368 12.939 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.761 4.914 12.782 1.00 0.00 H new ATOM 0 HE ARG A 61 2.697 4.988 15.458 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.633 6.853 13.285 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.392 7.458 14.591 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.375 5.767 17.129 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.026 6.846 16.758 1.00 0.00 H new ATOM 1084 N LEU A 62 4.027 1.504 10.152 1.00 0.00 N ATOM 1085 CA LEU A 62 3.349 0.247 9.855 1.00 0.00 C ATOM 1086 C LEU A 62 4.288 -0.939 10.056 1.00 0.00 C ATOM 1087 O LEU A 62 3.868 -2.006 10.501 1.00 0.00 O ATOM 1088 CB LEU A 62 2.820 0.256 8.420 1.00 0.00 C ATOM 1089 CG LEU A 62 1.594 -0.618 8.151 1.00 0.00 C ATOM 1090 CD1 LEU A 62 0.831 -0.108 6.938 1.00 0.00 C ATOM 1091 CD2 LEU A 62 2.008 -2.069 7.952 1.00 0.00 C ATOM 0 H LEU A 62 4.123 2.130 9.353 1.00 0.00 H new ATOM 0 HA LEU A 62 2.510 0.144 10.544 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.575 1.283 8.151 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.623 -0.065 7.756 1.00 0.00 H new ATOM 0 HG LEU A 62 0.935 -0.564 9.018 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.038 -0.742 6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.503 0.916 7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.481 -0.132 6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.124 -2.677 7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.687 -2.140 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.510 -2.430 8.849 1.00 0.00 H new