USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 439 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.8) USER MOD Single : A 16 GLN : amide:sc= -0.019 X(o=-0.019,f=-0.28) USER MOD Single : A 22 THR OG1 : rot 74:sc= 0.775 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0.419 K(o=0.42,f=-9.7!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.79 K(o=-1.8,f=-2.9) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.169 K(o=-0.17,f=-1) 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 9.271 1.310 -8.358 1.00 0.00 N ATOM 230 CA ARG A 14 9.950 1.604 -7.102 1.00 0.00 C ATOM 231 C ARG A 14 10.182 3.104 -6.947 1.00 0.00 C ATOM 232 O ARG A 14 10.466 3.588 -5.852 1.00 0.00 O ATOM 233 CB ARG A 14 11.286 0.862 -7.034 1.00 0.00 C ATOM 234 CG ARG A 14 12.202 1.147 -8.213 1.00 0.00 C ATOM 235 CD ARG A 14 12.306 -0.052 -9.142 1.00 0.00 C ATOM 236 NE ARG A 14 13.435 -0.913 -8.800 1.00 0.00 N ATOM 237 CZ ARG A 14 14.694 -0.635 -9.121 1.00 0.00 C ATOM 238 NH1 ARG A 14 14.982 0.475 -9.786 1.00 0.00 N ATOM 239 NH2 ARG A 14 15.667 -1.468 -8.775 1.00 0.00 N ATOM 0 HA ARG A 14 9.312 1.266 -6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.798 1.137 -6.112 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.094 -0.210 -6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.826 2.007 -8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.194 1.413 -7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.382 -0.629 -9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.412 0.294 -10.170 1.00 0.00 H new ATOM 0 HE ARG A 14 13.247 -1.774 -8.287 1.00 0.00 H new ATOM 0 HH11 ARG A 14 14.236 1.118 -10.052 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.949 0.686 -10.031 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.449 -2.322 -8.262 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.633 -1.254 -9.022 1.00 0.00 H new ATOM 253 N GLN A 15 10.058 3.834 -8.051 1.00 0.00 N ATOM 254 CA GLN A 15 10.255 5.279 -8.037 1.00 0.00 C ATOM 255 C GLN A 15 9.498 5.921 -6.879 1.00 0.00 C ATOM 256 O GLN A 15 10.069 6.683 -6.100 1.00 0.00 O ATOM 257 CB GLN A 15 9.797 5.890 -9.362 1.00 0.00 C ATOM 258 CG GLN A 15 10.603 5.418 -10.561 1.00 0.00 C ATOM 259 CD GLN A 15 10.763 6.493 -11.617 1.00 0.00 C ATOM 260 OE1 GLN A 15 9.809 7.195 -11.955 1.00 0.00 O ATOM 261 NE2 GLN A 15 11.974 6.630 -12.145 1.00 0.00 N ATOM 0 H GLN A 15 9.822 3.449 -8.966 1.00 0.00 H new ATOM 0 HA GLN A 15 11.319 5.474 -7.904 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.747 5.645 -9.522 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.864 6.976 -9.294 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.588 5.093 -10.226 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.114 4.550 -11.003 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.736 6.027 -11.836 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.142 7.338 -12.860 1.00 0.00 H new ATOM 270 N GLN A 16 8.211 5.606 -6.773 1.00 0.00 N ATOM 271 CA GLN A 16 7.376 6.153 -5.710 1.00 0.00 C ATOM 272 C GLN A 16 7.987 5.876 -4.341 1.00 0.00 C ATOM 273 O GLN A 16 7.855 6.679 -3.416 1.00 0.00 O ATOM 274 CB GLN A 16 5.968 5.561 -5.783 1.00 0.00 C ATOM 275 CG GLN A 16 5.239 5.881 -7.078 1.00 0.00 C ATOM 276 CD GLN A 16 4.278 7.044 -6.935 1.00 0.00 C ATOM 277 OE1 GLN A 16 3.470 7.086 -6.006 1.00 0.00 O ATOM 278 NE2 GLN A 16 4.359 7.997 -7.856 1.00 0.00 N ATOM 0 H GLN A 16 7.724 4.975 -7.410 1.00 0.00 H new ATOM 0 HA GLN A 16 7.316 7.232 -5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.032 4.479 -5.670 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.382 5.935 -4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.969 6.111 -7.854 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.690 4.999 -7.409 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.043 7.922 -8.609 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.737 8.804 -7.811 1.00 0.00 H new ATOM 287 N LEU A 17 8.656 4.735 -4.217 1.00 0.00 N ATOM 288 CA LEU A 17 9.288 4.351 -2.960 1.00 0.00 C ATOM 289 C LEU A 17 10.719 4.876 -2.887 1.00 0.00 C ATOM 290 O LEU A 17 11.353 4.830 -1.833 1.00 0.00 O ATOM 291 CB LEU A 17 9.283 2.829 -2.808 1.00 0.00 C ATOM 292 CG LEU A 17 7.909 2.173 -2.664 1.00 0.00 C ATOM 293 CD1 LEU A 17 7.883 0.828 -3.372 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.547 2.012 -1.195 1.00 0.00 C ATOM 0 H LEU A 17 8.775 4.060 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 17 8.716 4.793 -2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.781 2.396 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.881 2.569 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 17 7.167 2.820 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.898 0.376 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.097 0.970 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.635 0.172 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.566 1.544 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.291 1.386 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.524 2.991 -0.717 1.00 0.00 H new ATOM 306 N GLU A 18 11.219 5.375 -4.013 1.00 0.00 N ATOM 307 CA GLU A 18 12.574 5.910 -4.074 1.00 0.00 C ATOM 308 C GLU A 18 12.662 7.254 -3.357 1.00 0.00 C ATOM 309 O GLU A 18 13.630 7.528 -2.647 1.00 0.00 O ATOM 310 CB GLU A 18 13.018 6.067 -5.530 1.00 0.00 C ATOM 311 CG GLU A 18 13.343 4.750 -6.213 1.00 0.00 C ATOM 312 CD GLU A 18 14.412 4.893 -7.279 1.00 0.00 C ATOM 313 OE1 GLU A 18 14.163 5.599 -8.278 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.498 4.299 -7.114 1.00 0.00 O ATOM 0 H GLU A 18 10.707 5.420 -4.894 1.00 0.00 H new ATOM 0 HA GLU A 18 13.238 5.206 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.230 6.571 -6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.896 6.711 -5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.675 4.030 -5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.437 4.346 -6.665 1.00 0.00 H new ATOM 321 N ILE A 19 11.645 8.087 -3.547 1.00 0.00 N ATOM 322 CA ILE A 19 11.606 9.401 -2.918 1.00 0.00 C ATOM 323 C ILE A 19 12.029 9.323 -1.455 1.00 0.00 C ATOM 324 O ILE A 19 12.716 10.211 -0.947 1.00 0.00 O ATOM 325 CB ILE A 19 10.201 10.025 -3.001 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.700 10.014 -4.447 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.217 11.443 -2.451 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.509 9.107 -4.667 1.00 0.00 C ATOM 0 H ILE A 19 10.837 7.875 -4.132 1.00 0.00 H new ATOM 0 HA ILE A 19 12.307 10.032 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 19 9.519 9.430 -2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.432 11.030 -4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.512 9.699 -5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.216 11.870 -2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.536 11.425 -1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 19 10.910 12.051 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.208 9.149 -5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.779 8.083 -4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.681 9.434 -4.038 1.00 0.00 H new ATOM 340 N LEU A 20 11.617 8.254 -0.782 1.00 0.00 N ATOM 341 CA LEU A 20 11.954 8.058 0.624 1.00 0.00 C ATOM 342 C LEU A 20 13.196 7.184 0.769 1.00 0.00 C ATOM 343 O LEU A 20 14.218 7.624 1.294 1.00 0.00 O ATOM 344 CB LEU A 20 10.778 7.421 1.366 1.00 0.00 C ATOM 345 CG LEU A 20 9.400 7.618 0.735 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.185 9.078 0.367 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.241 6.728 -0.489 1.00 0.00 C ATOM 0 H LEU A 20 11.049 7.510 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 20 12.166 9.034 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.966 6.351 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.753 7.823 2.379 1.00 0.00 H new ATOM 0 HG LEU A 20 8.643 7.334 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.199 9.199 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.254 9.693 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.948 9.390 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.254 6.882 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.006 6.980 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.350 5.684 -0.196 1.00 0.00 H new ATOM 359 N GLU A 21 13.099 5.945 0.298 1.00 0.00 N ATOM 360 CA GLU A 21 14.216 5.010 0.374 1.00 0.00 C ATOM 361 C GLU A 21 15.524 5.692 -0.016 1.00 0.00 C ATOM 362 O GLU A 21 16.598 5.316 0.455 1.00 0.00 O ATOM 363 CB GLU A 21 13.965 3.805 -0.535 1.00 0.00 C ATOM 364 CG GLU A 21 14.420 2.485 0.063 1.00 0.00 C ATOM 365 CD GLU A 21 14.765 1.454 -0.993 1.00 0.00 C ATOM 366 OE1 GLU A 21 15.863 1.552 -1.581 1.00 0.00 O ATOM 367 OE2 GLU A 21 13.938 0.549 -1.233 1.00 0.00 O ATOM 0 H GLU A 21 12.260 5.565 -0.140 1.00 0.00 H new ATOM 0 HA GLU A 21 14.299 4.666 1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.900 3.745 -0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.481 3.962 -1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.291 2.658 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.633 2.091 0.706 1.00 0.00 H new ATOM 374 N THR A 22 15.426 6.698 -0.880 1.00 0.00 N ATOM 375 CA THR A 22 16.600 7.431 -1.335 1.00 0.00 C ATOM 376 C THR A 22 16.868 8.643 -0.450 1.00 0.00 C ATOM 377 O THR A 22 17.975 8.817 0.062 1.00 0.00 O ATOM 378 CB THR A 22 16.437 7.901 -2.793 1.00 0.00 C ATOM 379 OG1 THR A 22 16.002 6.812 -3.614 1.00 0.00 O ATOM 380 CG2 THR A 22 17.747 8.457 -3.332 1.00 0.00 C ATOM 0 H THR A 22 14.545 7.023 -1.278 1.00 0.00 H new ATOM 0 HA THR A 22 17.445 6.745 -1.273 1.00 0.00 H new ATOM 0 HB THR A 22 15.688 8.693 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.059 6.620 -3.429 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.607 8.782 -4.363 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.060 9.305 -2.723 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.513 7.682 -3.297 1.00 0.00 H new ATOM 388 N LEU A 23 15.850 9.477 -0.272 1.00 0.00 N ATOM 389 CA LEU A 23 15.976 10.673 0.554 1.00 0.00 C ATOM 390 C LEU A 23 16.051 10.308 2.033 1.00 0.00 C ATOM 391 O LEU A 23 17.069 10.532 2.688 1.00 0.00 O ATOM 392 CB LEU A 23 14.795 11.613 0.308 1.00 0.00 C ATOM 393 CG LEU A 23 14.934 13.027 0.874 1.00 0.00 C ATOM 394 CD1 LEU A 23 13.966 13.976 0.184 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.701 13.025 2.378 1.00 0.00 C ATOM 0 H LEU A 23 14.928 9.347 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 23 16.900 11.180 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.634 11.688 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.900 11.159 0.734 1.00 0.00 H new ATOM 0 HG LEU A 23 15.949 13.375 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.079 14.977 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.180 14.001 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.944 13.631 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.804 14.039 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.697 12.656 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.435 12.378 2.859 1.00 0.00 H new ATOM 407 N PHE A 24 14.967 9.743 2.553 1.00 0.00 N ATOM 408 CA PHE A 24 14.910 9.345 3.955 1.00 0.00 C ATOM 409 C PHE A 24 16.192 8.630 4.371 1.00 0.00 C ATOM 410 O PHE A 24 16.664 8.784 5.496 1.00 0.00 O ATOM 411 CB PHE A 24 13.703 8.437 4.201 1.00 0.00 C ATOM 412 CG PHE A 24 13.663 7.855 5.585 1.00 0.00 C ATOM 413 CD1 PHE A 24 13.339 8.648 6.675 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.949 6.516 5.797 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.300 8.116 7.950 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.912 5.979 7.070 1.00 0.00 C ATOM 417 CZ PHE A 24 13.588 6.780 8.148 1.00 0.00 C ATOM 0 H PHE A 24 14.116 9.550 2.025 1.00 0.00 H new ATOM 0 HA PHE A 24 14.806 10.247 4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.789 9.006 4.028 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.715 7.625 3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.114 9.694 6.526 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.204 5.885 4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 24 13.045 8.744 8.790 1.00 0.00 H new ATOM 0 HE2 PHE A 24 14.136 4.934 7.222 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.560 6.362 9.144 1.00 0.00 H new ATOM 427 N ASN A 25 16.750 7.847 3.453 1.00 0.00 N ATOM 428 CA ASN A 25 17.977 7.107 3.723 1.00 0.00 C ATOM 429 C ASN A 25 19.198 8.013 3.597 1.00 0.00 C ATOM 430 O ASN A 25 20.118 7.947 4.410 1.00 0.00 O ATOM 431 CB ASN A 25 18.105 5.923 2.762 1.00 0.00 C ATOM 432 CG ASN A 25 19.160 4.929 3.207 1.00 0.00 C ATOM 433 OD1 ASN A 25 20.332 5.049 2.850 1.00 0.00 O ATOM 434 ND2 ASN A 25 18.748 3.939 3.991 1.00 0.00 N ATOM 0 H ASN A 25 16.372 7.709 2.516 1.00 0.00 H new ATOM 0 HA ASN A 25 17.929 6.733 4.746 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.143 5.417 2.683 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.354 6.292 1.767 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.413 3.240 4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 25 17.767 3.878 4.262 1.00 0.00 H new ATOM 441 N GLU A 26 19.197 8.858 2.571 1.00 0.00 N ATOM 442 CA GLU A 26 20.305 9.777 2.338 1.00 0.00 C ATOM 443 C GLU A 26 20.607 10.593 3.592 1.00 0.00 C ATOM 444 O GLU A 26 21.761 10.717 4.004 1.00 0.00 O ATOM 445 CB GLU A 26 19.983 10.714 1.172 1.00 0.00 C ATOM 446 CG GLU A 26 21.073 11.736 0.893 1.00 0.00 C ATOM 447 CD GLU A 26 22.462 11.128 0.916 1.00 0.00 C ATOM 448 OE1 GLU A 26 22.706 10.177 0.143 1.00 0.00 O ATOM 449 OE2 GLU A 26 23.305 11.601 1.706 1.00 0.00 O ATOM 0 H GLU A 26 18.442 8.925 1.888 1.00 0.00 H new ATOM 0 HA GLU A 26 21.187 9.187 2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.816 10.119 0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.051 11.238 1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.897 12.193 -0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.017 12.533 1.634 1.00 0.00 H new ATOM 456 N THR A 27 19.561 11.150 4.195 1.00 0.00 N ATOM 457 CA THR A 27 19.713 11.955 5.400 1.00 0.00 C ATOM 458 C THR A 27 18.360 12.422 5.924 1.00 0.00 C ATOM 459 O THR A 27 17.326 12.169 5.307 1.00 0.00 O ATOM 460 CB THR A 27 20.605 13.185 5.145 1.00 0.00 C ATOM 461 OG1 THR A 27 20.740 13.409 3.738 1.00 0.00 O ATOM 462 CG2 THR A 27 21.980 12.995 5.767 1.00 0.00 C ATOM 0 H THR A 27 18.599 11.058 3.868 1.00 0.00 H new ATOM 0 HA THR A 27 20.188 11.319 6.147 1.00 0.00 H new ATOM 0 HB THR A 27 20.131 14.051 5.607 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.307 14.193 3.585 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.592 13.876 5.574 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.876 12.854 6.843 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.459 12.118 5.331 1.00 0.00 H new ATOM 470 N GLN A 28 18.376 13.106 7.063 1.00 0.00 N ATOM 471 CA GLN A 28 17.148 13.609 7.669 1.00 0.00 C ATOM 472 C GLN A 28 17.025 15.117 7.477 1.00 0.00 C ATOM 473 O GLN A 28 16.630 15.839 8.394 1.00 0.00 O ATOM 474 CB GLN A 28 17.113 13.267 9.159 1.00 0.00 C ATOM 475 CG GLN A 28 16.814 11.804 9.441 1.00 0.00 C ATOM 476 CD GLN A 28 16.413 11.557 10.882 1.00 0.00 C ATOM 477 OE1 GLN A 28 15.325 11.049 11.157 1.00 0.00 O ATOM 478 NE2 GLN A 28 17.290 11.917 11.812 1.00 0.00 N ATOM 0 H GLN A 28 19.225 13.325 7.585 1.00 0.00 H new ATOM 0 HA GLN A 28 16.304 13.129 7.174 1.00 0.00 H new ATOM 0 HB2 GLN A 28 18.073 13.525 9.605 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.359 13.884 9.647 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.013 11.467 8.782 1.00 0.00 H new ATOM 0 HG3 GLN A 28 17.694 11.205 9.205 1.00 0.00 H new ATOM 0 HE21 GLN A 28 18.180 12.335 11.540 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.074 11.776 12.799 1.00 0.00 H new ATOM 487 N TYR A 29 17.364 15.586 6.282 1.00 0.00 N ATOM 488 CA TYR A 29 17.294 17.009 5.971 1.00 0.00 C ATOM 489 C TYR A 29 16.195 17.290 4.952 1.00 0.00 C ATOM 490 O TYR A 29 16.449 17.475 3.761 1.00 0.00 O ATOM 491 CB TYR A 29 18.639 17.503 5.437 1.00 0.00 C ATOM 492 CG TYR A 29 19.696 17.656 6.507 1.00 0.00 C ATOM 493 CD1 TYR A 29 20.220 16.546 7.158 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.172 18.911 6.866 1.00 0.00 C ATOM 495 CE1 TYR A 29 21.186 16.682 8.137 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.138 19.056 7.843 1.00 0.00 C ATOM 497 CZ TYR A 29 21.642 17.939 8.476 1.00 0.00 C ATOM 498 OH TYR A 29 22.604 18.078 9.449 1.00 0.00 O ATOM 0 H TYR A 29 17.690 15.002 5.512 1.00 0.00 H new ATOM 0 HA TYR A 29 17.058 17.545 6.890 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.998 16.806 4.680 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.493 18.463 4.942 1.00 0.00 H new ATOM 0 HD1 TYR A 29 19.866 15.560 6.895 1.00 0.00 H new ATOM 0 HD2 TYR A 29 19.780 19.788 6.373 1.00 0.00 H new ATOM 0 HE1 TYR A 29 21.582 15.809 8.634 1.00 0.00 H new ATOM 0 HE2 TYR A 29 21.497 20.039 8.110 1.00 0.00 H new ATOM 0 HH TYR A 29 22.815 19.028 9.567 1.00 0.00 H new ATOM 508 N PRO A 30 14.941 17.325 5.428 1.00 0.00 N ATOM 509 CA PRO A 30 13.777 17.584 4.576 1.00 0.00 C ATOM 510 C PRO A 30 13.732 19.025 4.079 1.00 0.00 C ATOM 511 O PRO A 30 12.972 19.845 4.593 1.00 0.00 O ATOM 512 CB PRO A 30 12.591 17.300 5.501 1.00 0.00 C ATOM 513 CG PRO A 30 13.119 17.526 6.875 1.00 0.00 C ATOM 514 CD PRO A 30 14.565 17.114 6.836 1.00 0.00 C ATOM 0 HA PRO A 30 13.788 16.973 3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.753 17.963 5.285 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.229 16.279 5.379 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.019 18.572 7.164 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.565 16.938 7.607 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.173 17.718 7.509 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.695 16.074 7.135 1.00 0.00 H new ATOM 522 N ASP A 31 14.550 19.326 3.077 1.00 0.00 N ATOM 523 CA ASP A 31 14.602 20.668 2.509 1.00 0.00 C ATOM 524 C ASP A 31 14.427 20.624 0.994 1.00 0.00 C ATOM 525 O ASP A 31 14.346 19.550 0.399 1.00 0.00 O ATOM 526 CB ASP A 31 15.928 21.343 2.862 1.00 0.00 C ATOM 527 CG ASP A 31 15.780 22.838 3.067 1.00 0.00 C ATOM 528 OD1 ASP A 31 14.732 23.264 3.597 1.00 0.00 O ATOM 529 OD2 ASP A 31 16.712 23.582 2.698 1.00 0.00 O ATOM 0 H ASP A 31 15.186 18.659 2.641 1.00 0.00 H new ATOM 0 HA ASP A 31 13.783 21.248 2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.331 20.893 3.769 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.650 21.158 2.066 1.00 0.00 H new ATOM 534 N VAL A 32 14.369 21.799 0.376 1.00 0.00 N ATOM 535 CA VAL A 32 14.204 21.896 -1.070 1.00 0.00 C ATOM 536 C VAL A 32 15.256 21.069 -1.799 1.00 0.00 C ATOM 537 O VAL A 32 14.963 20.414 -2.800 1.00 0.00 O ATOM 538 CB VAL A 32 14.292 23.357 -1.549 1.00 0.00 C ATOM 539 CG1 VAL A 32 12.958 24.062 -1.360 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.402 24.092 -0.813 1.00 0.00 C ATOM 0 H VAL A 32 14.434 22.698 0.854 1.00 0.00 H new ATOM 0 HA VAL A 32 13.213 21.505 -1.302 1.00 0.00 H new ATOM 0 HB VAL A 32 14.529 23.359 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.039 25.093 -1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.189 23.547 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.688 24.052 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.450 25.123 -1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.197 24.082 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.355 23.598 -1.005 1.00 0.00 H new ATOM 550 N PHE A 33 16.484 21.103 -1.292 1.00 0.00 N ATOM 551 CA PHE A 33 17.582 20.356 -1.896 1.00 0.00 C ATOM 552 C PHE A 33 17.265 18.865 -1.942 1.00 0.00 C ATOM 553 O PHE A 33 17.819 18.126 -2.755 1.00 0.00 O ATOM 554 CB PHE A 33 18.876 20.590 -1.114 1.00 0.00 C ATOM 555 CG PHE A 33 19.807 21.568 -1.774 1.00 0.00 C ATOM 556 CD1 PHE A 33 20.604 21.176 -2.837 1.00 0.00 C ATOM 557 CD2 PHE A 33 19.884 22.878 -1.330 1.00 0.00 C ATOM 558 CE1 PHE A 33 21.461 22.073 -3.447 1.00 0.00 C ATOM 559 CE2 PHE A 33 20.739 23.779 -1.936 1.00 0.00 C ATOM 560 CZ PHE A 33 21.529 23.376 -2.994 1.00 0.00 C ATOM 0 H PHE A 33 16.744 21.640 -0.465 1.00 0.00 H new ATOM 0 HA PHE A 33 17.713 20.713 -2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.628 20.953 -0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.392 19.638 -0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.555 20.158 -3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 33 19.270 23.199 -0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 33 22.076 21.756 -4.276 1.00 0.00 H new ATOM 0 HE2 PHE A 33 20.789 24.798 -1.582 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.199 24.079 -3.467 1.00 0.00 H new ATOM 570 N ALA A 34 16.369 18.429 -1.062 1.00 0.00 N ATOM 571 CA ALA A 34 15.977 17.026 -1.002 1.00 0.00 C ATOM 572 C ALA A 34 14.827 16.737 -1.962 1.00 0.00 C ATOM 573 O ALA A 34 14.977 15.966 -2.910 1.00 0.00 O ATOM 574 CB ALA A 34 15.589 16.647 0.419 1.00 0.00 C ATOM 0 H ALA A 34 15.901 19.027 -0.381 1.00 0.00 H new ATOM 0 HA ALA A 34 16.831 16.421 -1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.299 15.597 0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.438 16.808 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.752 17.264 0.745 1.00 0.00 H new ATOM 580 N ARG A 35 13.680 17.358 -1.708 1.00 0.00 N ATOM 581 CA ARG A 35 12.504 17.165 -2.548 1.00 0.00 C ATOM 582 C ARG A 35 12.825 17.467 -4.009 1.00 0.00 C ATOM 583 O ARG A 35 12.454 16.709 -4.905 1.00 0.00 O ATOM 584 CB ARG A 35 11.358 18.058 -2.071 1.00 0.00 C ATOM 585 CG ARG A 35 11.737 19.526 -1.954 1.00 0.00 C ATOM 586 CD ARG A 35 10.671 20.320 -1.217 1.00 0.00 C ATOM 587 NE ARG A 35 11.185 20.917 0.013 1.00 0.00 N ATOM 588 CZ ARG A 35 10.600 21.934 0.637 1.00 0.00 C ATOM 589 NH1 ARG A 35 9.487 22.464 0.148 1.00 0.00 N ATOM 590 NH2 ARG A 35 11.129 22.422 1.751 1.00 0.00 N ATOM 0 H ARG A 35 13.540 17.999 -0.927 1.00 0.00 H new ATOM 0 HA ARG A 35 12.199 16.122 -2.469 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.521 17.962 -2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.011 17.703 -1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.688 19.617 -1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.882 19.946 -2.949 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.289 21.106 -1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.832 19.666 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 35 12.040 20.532 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.078 22.091 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.040 23.245 0.629 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.985 22.017 2.129 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.680 23.203 2.230 1.00 0.00 H new ATOM 604 N GLU A 36 13.515 18.580 -4.240 1.00 0.00 N ATOM 605 CA GLU A 36 13.884 18.982 -5.593 1.00 0.00 C ATOM 606 C GLU A 36 14.802 17.946 -6.237 1.00 0.00 C ATOM 607 O GLU A 36 14.846 17.817 -7.460 1.00 0.00 O ATOM 608 CB GLU A 36 14.573 20.348 -5.572 1.00 0.00 C ATOM 609 CG GLU A 36 14.899 20.885 -6.956 1.00 0.00 C ATOM 610 CD GLU A 36 14.986 22.399 -6.988 1.00 0.00 C ATOM 611 OE1 GLU A 36 14.085 23.056 -6.426 1.00 0.00 O ATOM 612 OE2 GLU A 36 15.954 22.926 -7.574 1.00 0.00 O ATOM 0 H GLU A 36 13.829 19.218 -3.509 1.00 0.00 H new ATOM 0 HA GLU A 36 12.972 19.052 -6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.931 21.062 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.494 20.272 -4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.846 20.463 -7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.135 20.554 -7.660 1.00 0.00 H new ATOM 619 N ARG A 37 15.532 17.212 -5.404 1.00 0.00 N ATOM 620 CA ARG A 37 16.450 16.190 -5.892 1.00 0.00 C ATOM 621 C ARG A 37 15.690 14.945 -6.339 1.00 0.00 C ATOM 622 O ARG A 37 15.710 14.581 -7.515 1.00 0.00 O ATOM 623 CB ARG A 37 17.460 15.821 -4.804 1.00 0.00 C ATOM 624 CG ARG A 37 18.468 14.770 -5.240 1.00 0.00 C ATOM 625 CD ARG A 37 18.993 13.976 -4.054 1.00 0.00 C ATOM 626 NE ARG A 37 20.132 14.633 -3.417 1.00 0.00 N ATOM 627 CZ ARG A 37 21.354 14.651 -3.936 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.596 14.052 -5.094 1.00 0.00 N ATOM 629 NH2 ARG A 37 22.339 15.270 -3.296 1.00 0.00 N ATOM 0 H ARG A 37 15.506 17.306 -4.389 1.00 0.00 H new ATOM 0 HA ARG A 37 16.984 16.597 -6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 37 17.995 16.720 -4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.922 15.455 -3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.002 14.092 -5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.300 15.253 -5.753 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.195 13.845 -3.323 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.288 12.980 -4.386 1.00 0.00 H new ATOM 0 HE ARG A 37 19.980 15.104 -2.525 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.842 13.575 -5.589 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.536 14.068 -5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.157 15.732 -2.405 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.277 15.283 -3.695 1.00 0.00 H new ATOM 643 N VAL A 38 15.020 14.296 -5.392 1.00 0.00 N ATOM 644 CA VAL A 38 14.252 13.092 -5.688 1.00 0.00 C ATOM 645 C VAL A 38 13.266 13.334 -6.826 1.00 0.00 C ATOM 646 O VAL A 38 12.888 12.407 -7.541 1.00 0.00 O ATOM 647 CB VAL A 38 13.479 12.601 -4.450 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.415 11.893 -3.482 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.772 13.762 -3.768 1.00 0.00 C ATOM 0 H VAL A 38 14.993 14.584 -4.414 1.00 0.00 H new ATOM 0 HA VAL A 38 14.968 12.326 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 38 12.723 11.886 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.851 11.553 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.870 11.035 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.196 12.583 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.231 13.396 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.508 14.503 -3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.070 14.220 -4.465 1.00 0.00 H new ATOM 659 N ALA A 39 12.854 14.588 -6.988 1.00 0.00 N ATOM 660 CA ALA A 39 11.915 14.953 -8.040 1.00 0.00 C ATOM 661 C ALA A 39 12.440 14.544 -9.412 1.00 0.00 C ATOM 662 O ALA A 39 11.665 14.258 -10.324 1.00 0.00 O ATOM 663 CB ALA A 39 11.637 16.448 -8.004 1.00 0.00 C ATOM 0 H ALA A 39 13.156 15.367 -6.404 1.00 0.00 H new ATOM 0 HA ALA A 39 10.983 14.416 -7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.934 16.706 -8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.210 16.715 -7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.568 16.995 -8.153 1.00 0.00 H new ATOM 669 N ASP A 40 13.761 14.518 -9.550 1.00 0.00 N ATOM 670 CA ASP A 40 14.390 14.143 -10.811 1.00 0.00 C ATOM 671 C ASP A 40 14.538 12.629 -10.916 1.00 0.00 C ATOM 672 O ASP A 40 14.773 12.092 -11.999 1.00 0.00 O ATOM 673 CB ASP A 40 15.760 14.812 -10.941 1.00 0.00 C ATOM 674 CG ASP A 40 16.241 14.872 -12.377 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.523 15.449 -13.220 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.337 14.343 -12.658 1.00 0.00 O ATOM 0 H ASP A 40 14.417 14.752 -8.805 1.00 0.00 H new ATOM 0 HA ASP A 40 13.749 14.484 -11.624 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.707 15.823 -10.536 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.487 14.265 -10.340 1.00 0.00 H new ATOM 681 N GLN A 41 14.399 11.946 -9.784 1.00 0.00 N ATOM 682 CA GLN A 41 14.519 10.493 -9.749 1.00 0.00 C ATOM 683 C GLN A 41 13.239 9.829 -10.247 1.00 0.00 C ATOM 684 O GLN A 41 13.275 8.983 -11.140 1.00 0.00 O ATOM 685 CB GLN A 41 14.834 10.020 -8.329 1.00 0.00 C ATOM 686 CG GLN A 41 16.231 10.393 -7.859 1.00 0.00 C ATOM 687 CD GLN A 41 17.277 9.377 -8.275 1.00 0.00 C ATOM 688 OE1 GLN A 41 18.026 9.594 -9.228 1.00 0.00 O ATOM 689 NE2 GLN A 41 17.334 8.260 -7.560 1.00 0.00 N ATOM 0 H GLN A 41 14.203 12.375 -8.880 1.00 0.00 H new ATOM 0 HA GLN A 41 15.337 10.205 -10.410 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.103 10.447 -7.642 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.721 8.937 -8.282 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.498 11.370 -8.263 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.232 10.486 -6.773 1.00 0.00 H new ATOM 0 HE21 GLN A 41 16.694 8.122 -6.778 1.00 0.00 H new ATOM 0 HE22 GLN A 41 18.018 7.540 -7.792 1.00 0.00 H new ATOM 698 N ILE A 42 12.111 10.218 -9.663 1.00 0.00 N ATOM 699 CA ILE A 42 10.821 9.660 -10.048 1.00 0.00 C ATOM 700 C ILE A 42 10.182 10.474 -11.168 1.00 0.00 C ATOM 701 O ILE A 42 9.131 10.109 -11.693 1.00 0.00 O ATOM 702 CB ILE A 42 9.852 9.606 -8.852 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.248 10.988 -8.593 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.569 9.094 -7.612 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.167 10.986 -7.535 1.00 0.00 C ATOM 0 H ILE A 42 12.064 10.917 -8.922 1.00 0.00 H new ATOM 0 HA ILE A 42 11.008 8.646 -10.400 1.00 0.00 H new ATOM 0 HB ILE A 42 9.043 8.916 -9.090 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.041 11.671 -8.289 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.833 11.375 -9.524 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.871 9.062 -6.775 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.954 8.092 -7.802 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.396 9.761 -7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.784 11.998 -7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.355 10.329 -7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.582 10.630 -6.592 1.00 0.00 H new ATOM 717 N ARG A 43 10.826 11.579 -11.530 1.00 0.00 N ATOM 718 CA ARG A 43 10.322 12.445 -12.589 1.00 0.00 C ATOM 719 C ARG A 43 9.021 13.121 -12.165 1.00 0.00 C ATOM 720 O ARG A 43 7.974 12.919 -12.782 1.00 0.00 O ATOM 721 CB ARG A 43 10.097 11.641 -13.871 1.00 0.00 C ATOM 722 CG ARG A 43 10.004 12.501 -15.121 1.00 0.00 C ATOM 723 CD ARG A 43 11.316 13.217 -15.403 1.00 0.00 C ATOM 724 NE ARG A 43 11.311 13.873 -16.708 1.00 0.00 N ATOM 725 CZ ARG A 43 12.144 14.853 -17.040 1.00 0.00 C ATOM 726 NH1 ARG A 43 13.044 15.287 -16.168 1.00 0.00 N ATOM 727 NH2 ARG A 43 12.079 15.401 -18.247 1.00 0.00 N ATOM 0 H ARG A 43 11.698 11.896 -11.105 1.00 0.00 H new ATOM 0 HA ARG A 43 11.068 13.217 -12.779 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.913 10.928 -13.991 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.179 11.061 -13.770 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.738 11.877 -15.974 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.206 13.234 -15.001 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.499 13.958 -14.625 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.137 12.501 -15.360 1.00 0.00 H new ATOM 0 HE ARG A 43 10.631 13.562 -17.402 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.098 14.868 -15.240 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.682 16.040 -16.426 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.389 15.070 -18.921 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.719 16.153 -18.501 1.00 0.00 H new ATOM 741 N LEU A 44 9.095 13.924 -11.109 1.00 0.00 N ATOM 742 CA LEU A 44 7.924 14.630 -10.602 1.00 0.00 C ATOM 743 C LEU A 44 8.303 16.016 -10.091 1.00 0.00 C ATOM 744 O LEU A 44 9.480 16.316 -9.898 1.00 0.00 O ATOM 745 CB LEU A 44 7.263 13.824 -9.482 1.00 0.00 C ATOM 746 CG LEU A 44 5.882 14.303 -9.035 1.00 0.00 C ATOM 747 CD1 LEU A 44 4.936 14.388 -10.223 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.316 13.379 -7.966 1.00 0.00 C ATOM 0 H LEU A 44 9.953 14.102 -10.588 1.00 0.00 H new ATOM 0 HA LEU A 44 7.217 14.747 -11.423 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.178 12.788 -9.809 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.926 13.831 -8.617 1.00 0.00 H new ATOM 0 HG LEU A 44 5.986 15.300 -8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.958 14.731 -9.885 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.334 15.091 -10.955 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.837 13.404 -10.681 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.333 13.736 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.227 12.370 -8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.983 13.369 -7.104 1.00 0.00 H new ATOM 760 N GLN A 45 7.296 16.856 -9.872 1.00 0.00 N ATOM 761 CA GLN A 45 7.524 18.210 -9.381 1.00 0.00 C ATOM 762 C GLN A 45 8.317 18.191 -8.079 1.00 0.00 C ATOM 763 O GLN A 45 8.303 17.201 -7.348 1.00 0.00 O ATOM 764 CB GLN A 45 6.191 18.930 -9.171 1.00 0.00 C ATOM 765 CG GLN A 45 5.918 20.017 -10.198 1.00 0.00 C ATOM 766 CD GLN A 45 6.767 21.254 -9.978 1.00 0.00 C ATOM 767 OE1 GLN A 45 7.875 21.175 -9.447 1.00 0.00 O ATOM 768 NE2 GLN A 45 6.250 22.407 -10.387 1.00 0.00 N ATOM 0 H GLN A 45 6.315 16.623 -10.027 1.00 0.00 H new ATOM 0 HA GLN A 45 8.105 18.748 -10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.383 18.199 -9.205 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.179 19.372 -8.175 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.108 19.624 -11.197 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.864 20.292 -10.159 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.328 22.427 -10.822 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.775 23.273 -10.266 1.00 0.00 H new ATOM 777 N GLU A 46 9.007 19.291 -7.795 1.00 0.00 N ATOM 778 CA GLU A 46 9.806 19.398 -6.580 1.00 0.00 C ATOM 779 C GLU A 46 8.913 19.550 -5.352 1.00 0.00 C ATOM 780 O GLU A 46 9.145 18.920 -4.321 1.00 0.00 O ATOM 781 CB GLU A 46 10.764 20.588 -6.677 1.00 0.00 C ATOM 782 CG GLU A 46 10.066 21.912 -6.938 1.00 0.00 C ATOM 783 CD GLU A 46 10.887 22.841 -7.811 1.00 0.00 C ATOM 784 OE1 GLU A 46 11.383 22.385 -8.862 1.00 0.00 O ATOM 785 OE2 GLU A 46 11.032 24.026 -7.443 1.00 0.00 O ATOM 0 H GLU A 46 9.029 20.120 -8.389 1.00 0.00 H new ATOM 0 HA GLU A 46 10.385 18.481 -6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.332 20.663 -5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.482 20.402 -7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.105 21.724 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.858 22.402 -5.987 1.00 0.00 H new ATOM 792 N SER A 47 7.890 20.391 -5.472 1.00 0.00 N ATOM 793 CA SER A 47 6.964 20.629 -4.372 1.00 0.00 C ATOM 794 C SER A 47 5.925 19.515 -4.284 1.00 0.00 C ATOM 795 O SER A 47 5.409 19.216 -3.207 1.00 0.00 O ATOM 796 CB SER A 47 6.266 21.979 -4.548 1.00 0.00 C ATOM 797 OG SER A 47 5.501 22.312 -3.403 1.00 0.00 O ATOM 0 H SER A 47 7.682 20.918 -6.320 1.00 0.00 H new ATOM 0 HA SER A 47 7.537 20.642 -3.445 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.009 22.755 -4.730 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.619 21.945 -5.424 1.00 0.00 H new ATOM 0 HG SER A 47 5.067 23.180 -3.541 1.00 0.00 H new ATOM 803 N ARG A 48 5.624 18.905 -5.426 1.00 0.00 N ATOM 804 CA ARG A 48 4.647 17.824 -5.479 1.00 0.00 C ATOM 805 C ARG A 48 5.187 16.568 -4.801 1.00 0.00 C ATOM 806 O ARG A 48 4.498 15.941 -3.996 1.00 0.00 O ATOM 807 CB ARG A 48 4.278 17.513 -6.931 1.00 0.00 C ATOM 808 CG ARG A 48 3.207 16.444 -7.072 1.00 0.00 C ATOM 809 CD ARG A 48 2.537 16.503 -8.436 1.00 0.00 C ATOM 810 NE ARG A 48 1.805 15.276 -8.739 1.00 0.00 N ATOM 811 CZ ARG A 48 1.280 15.009 -9.930 1.00 0.00 C ATOM 812 NH1 ARG A 48 1.406 15.877 -10.923 1.00 0.00 N ATOM 813 NH2 ARG A 48 0.628 13.870 -10.128 1.00 0.00 N ATOM 0 H ARG A 48 6.042 19.141 -6.326 1.00 0.00 H new ATOM 0 HA ARG A 48 3.754 18.149 -4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.932 18.427 -7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.173 17.191 -7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.652 15.460 -6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.457 16.573 -6.291 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.853 17.351 -8.467 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.292 16.674 -9.204 1.00 0.00 H new ATOM 0 HE ARG A 48 1.691 14.587 -7.996 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.907 16.753 -10.774 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.002 15.669 -11.836 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.530 13.199 -9.366 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.225 13.665 -11.042 1.00 0.00 H new ATOM 827 N ILE A 49 6.422 16.208 -5.132 1.00 0.00 N ATOM 828 CA ILE A 49 7.054 15.028 -4.554 1.00 0.00 C ATOM 829 C ILE A 49 7.022 15.078 -3.030 1.00 0.00 C ATOM 830 O ILE A 49 7.116 14.048 -2.364 1.00 0.00 O ATOM 831 CB ILE A 49 8.514 14.886 -5.021 1.00 0.00 C ATOM 832 CG1 ILE A 49 8.861 13.411 -5.240 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.459 15.513 -4.007 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.263 13.192 -5.763 1.00 0.00 C ATOM 0 H ILE A 49 7.005 16.716 -5.797 1.00 0.00 H new ATOM 0 HA ILE A 49 6.485 14.165 -4.899 1.00 0.00 H new ATOM 0 HB ILE A 49 8.629 15.412 -5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.745 12.875 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.148 12.979 -5.942 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.487 15.404 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.224 16.571 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.344 15.013 -3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.440 12.124 -5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.377 13.699 -6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.984 13.594 -5.051 1.00 0.00 H new ATOM 846 N GLN A 50 6.887 16.283 -2.486 1.00 0.00 N ATOM 847 CA GLN A 50 6.842 16.467 -1.040 1.00 0.00 C ATOM 848 C GLN A 50 5.639 15.749 -0.437 1.00 0.00 C ATOM 849 O GLN A 50 5.635 15.407 0.745 1.00 0.00 O ATOM 850 CB GLN A 50 6.787 17.956 -0.695 1.00 0.00 C ATOM 851 CG GLN A 50 7.866 18.395 0.282 1.00 0.00 C ATOM 852 CD GLN A 50 7.806 19.878 0.591 1.00 0.00 C ATOM 853 OE1 GLN A 50 7.306 20.670 -0.208 1.00 0.00 O ATOM 854 NE2 GLN A 50 8.317 20.261 1.755 1.00 0.00 N ATOM 0 H GLN A 50 6.807 17.146 -3.024 1.00 0.00 H new ATOM 0 HA GLN A 50 7.749 16.036 -0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.882 18.537 -1.613 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.809 18.186 -0.271 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.763 17.830 1.209 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.845 18.153 -0.131 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.721 19.570 2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.305 21.247 2.018 1.00 0.00 H new ATOM 863 N VAL A 51 4.618 15.524 -1.258 1.00 0.00 N ATOM 864 CA VAL A 51 3.409 14.846 -0.807 1.00 0.00 C ATOM 865 C VAL A 51 3.620 13.338 -0.730 1.00 0.00 C ATOM 866 O VAL A 51 3.070 12.668 0.143 1.00 0.00 O ATOM 867 CB VAL A 51 2.219 15.140 -1.740 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.151 16.623 -2.067 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.321 14.309 -3.010 1.00 0.00 C ATOM 0 H VAL A 51 4.604 15.802 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 51 3.184 15.229 0.188 1.00 0.00 H new ATOM 0 HB VAL A 51 1.299 14.864 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.304 16.812 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.028 17.193 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.072 16.929 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.472 14.529 -3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.247 14.552 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.316 13.250 -2.753 1.00 0.00 H new ATOM 879 N TRP A 52 4.421 12.811 -1.649 1.00 0.00 N ATOM 880 CA TRP A 52 4.706 11.381 -1.686 1.00 0.00 C ATOM 881 C TRP A 52 5.867 11.034 -0.761 1.00 0.00 C ATOM 882 O TRP A 52 6.064 9.872 -0.405 1.00 0.00 O ATOM 883 CB TRP A 52 5.027 10.941 -3.115 1.00 0.00 C ATOM 884 CG TRP A 52 3.990 11.360 -4.113 1.00 0.00 C ATOM 885 CD1 TRP A 52 4.207 12.001 -5.299 1.00 0.00 C ATOM 886 CD2 TRP A 52 2.575 11.171 -4.009 1.00 0.00 C ATOM 887 NE1 TRP A 52 3.012 12.221 -5.940 1.00 0.00 N ATOM 888 CE2 TRP A 52 1.995 11.720 -5.170 1.00 0.00 C ATOM 889 CE3 TRP A 52 1.741 10.589 -3.051 1.00 0.00 C ATOM 890 CZ2 TRP A 52 0.621 11.705 -5.394 1.00 0.00 C ATOM 891 CZ3 TRP A 52 0.378 10.575 -3.275 1.00 0.00 C ATOM 892 CH2 TRP A 52 -0.171 11.129 -4.439 1.00 0.00 C ATOM 0 H TRP A 52 4.885 13.352 -2.379 1.00 0.00 H new ATOM 0 HA TRP A 52 3.819 10.850 -1.341 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.991 11.357 -3.408 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.127 9.856 -3.140 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.176 12.292 -5.677 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.900 12.682 -6.843 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.155 10.158 -2.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.196 12.133 -6.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.276 10.129 -2.540 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.241 11.101 -4.585 1.00 0.00 H new ATOM 903 N PHE A 53 6.634 12.048 -0.374 1.00 0.00 N ATOM 904 CA PHE A 53 7.776 11.849 0.510 1.00 0.00 C ATOM 905 C PHE A 53 7.350 11.163 1.805 1.00 0.00 C ATOM 906 O PHE A 53 8.170 10.572 2.507 1.00 0.00 O ATOM 907 CB PHE A 53 8.443 13.189 0.826 1.00 0.00 C ATOM 908 CG PHE A 53 9.589 13.076 1.791 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.596 12.147 1.585 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.659 13.900 2.903 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.650 12.040 2.472 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.712 13.798 3.793 1.00 0.00 C ATOM 913 CZ PHE A 53 11.709 12.867 3.577 1.00 0.00 C ATOM 0 H PHE A 53 6.485 13.016 -0.659 1.00 0.00 H new ATOM 0 HA PHE A 53 8.492 11.206 -0.003 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.802 13.635 -0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.697 13.869 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.557 11.499 0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.882 14.630 3.076 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.427 11.310 2.301 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.755 14.446 4.656 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.533 12.786 4.270 1.00 0.00 H new ATOM 923 N LYS A 54 6.060 11.246 2.114 1.00 0.00 N ATOM 924 CA LYS A 54 5.522 10.633 3.323 1.00 0.00 C ATOM 925 C LYS A 54 5.099 9.191 3.060 1.00 0.00 C ATOM 926 O LYS A 54 4.920 8.408 3.991 1.00 0.00 O ATOM 927 CB LYS A 54 4.328 11.439 3.840 1.00 0.00 C ATOM 928 CG LYS A 54 4.237 11.487 5.355 1.00 0.00 C ATOM 929 CD LYS A 54 2.843 11.128 5.841 1.00 0.00 C ATOM 930 CE LYS A 54 2.800 10.981 7.354 1.00 0.00 C ATOM 931 NZ LYS A 54 1.798 11.893 7.973 1.00 0.00 N ATOM 0 H LYS A 54 5.368 11.732 1.544 1.00 0.00 H new ATOM 0 HA LYS A 54 6.307 10.631 4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.394 12.457 3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.409 11.007 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.963 10.797 5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.499 12.485 5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.138 11.899 5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.523 10.196 5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.560 9.949 7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.786 11.191 7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.800 11.762 9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.041 12.879 7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.853 11.676 7.598 1.00 0.00 H new ATOM 945 N ASN A 55 4.944 8.848 1.785 1.00 0.00 N ATOM 946 CA ASN A 55 4.543 7.499 1.401 1.00 0.00 C ATOM 947 C ASN A 55 5.237 6.456 2.272 1.00 0.00 C ATOM 948 O ASN A 55 4.603 5.805 3.102 1.00 0.00 O ATOM 949 CB ASN A 55 4.871 7.248 -0.073 1.00 0.00 C ATOM 950 CG ASN A 55 4.752 5.785 -0.450 1.00 0.00 C ATOM 951 OD1 ASN A 55 3.964 5.042 0.137 1.00 0.00 O ATOM 952 ND2 ASN A 55 5.537 5.362 -1.435 1.00 0.00 N ATOM 0 H ASN A 55 5.090 9.484 1.001 1.00 0.00 H new ATOM 0 HA ASN A 55 3.467 7.411 1.548 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.199 7.837 -0.697 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.884 7.593 -0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.501 4.387 -1.733 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.175 6.012 -1.894 1.00 0.00 H new ATOM 959 N ARG A 56 6.543 6.305 2.077 1.00 0.00 N ATOM 960 CA ARG A 56 7.323 5.341 2.844 1.00 0.00 C ATOM 961 C ARG A 56 7.785 5.946 4.167 1.00 0.00 C ATOM 962 O ARG A 56 7.763 5.284 5.205 1.00 0.00 O ATOM 963 CB ARG A 56 8.533 4.872 2.034 1.00 0.00 C ATOM 964 CG ARG A 56 8.968 3.451 2.356 1.00 0.00 C ATOM 965 CD ARG A 56 10.403 3.408 2.856 1.00 0.00 C ATOM 966 NE ARG A 56 10.765 2.088 3.367 1.00 0.00 N ATOM 967 CZ ARG A 56 11.002 1.039 2.588 1.00 0.00 C ATOM 968 NH1 ARG A 56 10.917 1.154 1.270 1.00 0.00 N ATOM 969 NH2 ARG A 56 11.327 -0.129 3.128 1.00 0.00 N ATOM 0 H ARG A 56 7.083 6.838 1.395 1.00 0.00 H new ATOM 0 HA ARG A 56 6.685 4.484 3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.297 4.939 0.972 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.367 5.549 2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.305 3.029 3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.873 2.830 1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.078 3.680 2.045 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.535 4.150 3.643 1.00 0.00 H new ATOM 0 HE ARG A 56 10.840 1.966 4.377 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.669 2.050 0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.100 0.346 0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.395 -0.221 4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.509 -0.935 2.529 1.00 0.00 H new ATOM 983 N ARG A 57 8.205 7.206 4.120 1.00 0.00 N ATOM 984 CA ARG A 57 8.675 7.899 5.314 1.00 0.00 C ATOM 985 C ARG A 57 7.690 7.726 6.466 1.00 0.00 C ATOM 986 O ARG A 57 8.079 7.723 7.634 1.00 0.00 O ATOM 987 CB ARG A 57 8.876 9.386 5.020 1.00 0.00 C ATOM 988 CG ARG A 57 9.250 10.204 6.245 1.00 0.00 C ATOM 989 CD ARG A 57 8.018 10.765 6.938 1.00 0.00 C ATOM 990 NE ARG A 57 8.338 11.920 7.772 1.00 0.00 N ATOM 991 CZ ARG A 57 8.557 13.138 7.289 1.00 0.00 C ATOM 992 NH1 ARG A 57 8.492 13.357 5.983 1.00 0.00 N ATOM 993 NH2 ARG A 57 8.843 14.139 8.112 1.00 0.00 N ATOM 0 H ARG A 57 8.230 7.768 3.269 1.00 0.00 H new ATOM 0 HA ARG A 57 9.629 7.461 5.606 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.657 9.497 4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.959 9.790 4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.809 9.581 6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.907 11.022 5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.280 11.052 6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.563 9.989 7.553 1.00 0.00 H new ATOM 0 HE ARG A 57 8.397 11.784 8.781 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.274 12.590 5.347 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.660 14.293 5.614 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.895 13.974 9.117 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.011 15.074 7.739 1.00 0.00 H new ATOM 1007 N ALA A 58 6.413 7.581 6.129 1.00 0.00 N ATOM 1008 CA ALA A 58 5.372 7.406 7.135 1.00 0.00 C ATOM 1009 C ALA A 58 5.189 5.933 7.484 1.00 0.00 C ATOM 1010 O ALA A 58 4.903 5.587 8.631 1.00 0.00 O ATOM 1011 CB ALA A 58 4.060 8.002 6.647 1.00 0.00 C ATOM 0 H ALA A 58 6.074 7.581 5.167 1.00 0.00 H new ATOM 0 HA ALA A 58 5.682 7.931 8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.292 7.864 7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.193 9.067 6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.753 7.503 5.728 1.00 0.00 H new ATOM 1017 N LYS A 59 5.354 5.069 6.489 1.00 0.00 N ATOM 1018 CA LYS A 59 5.207 3.632 6.690 1.00 0.00 C ATOM 1019 C LYS A 59 6.142 3.138 7.789 1.00 0.00 C ATOM 1020 O LYS A 59 5.911 2.088 8.388 1.00 0.00 O ATOM 1021 CB LYS A 59 5.493 2.882 5.387 1.00 0.00 C ATOM 1022 CG LYS A 59 4.254 2.287 4.742 1.00 0.00 C ATOM 1023 CD LYS A 59 3.188 3.343 4.503 1.00 0.00 C ATOM 1024 CE LYS A 59 2.654 3.283 3.080 1.00 0.00 C ATOM 1025 NZ LYS A 59 1.572 4.280 2.851 1.00 0.00 N ATOM 0 H LYS A 59 5.590 5.339 5.534 1.00 0.00 H new ATOM 0 HA LYS A 59 4.179 3.437 6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.967 3.564 4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.207 2.083 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.524 1.821 3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.852 1.501 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.368 3.200 5.207 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.604 4.332 4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.469 3.464 2.379 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.274 2.282 2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.235 4.207 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.784 4.093 3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.941 5.238 3.020 1.00 0.00 H new ATOM 1039 N TYR A 60 7.196 3.903 8.050 1.00 0.00 N ATOM 1040 CA TYR A 60 8.166 3.542 9.077 1.00 0.00 C ATOM 1041 C TYR A 60 7.470 3.220 10.395 1.00 0.00 C ATOM 1042 O TYR A 60 7.977 2.443 11.205 1.00 0.00 O ATOM 1043 CB TYR A 60 9.170 4.679 9.282 1.00 0.00 C ATOM 1044 CG TYR A 60 8.764 5.657 10.361 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.662 6.487 10.194 1.00 0.00 C ATOM 1046 CD2 TYR A 60 9.483 5.752 11.546 1.00 0.00 C ATOM 1047 CE1 TYR A 60 7.288 7.384 11.177 1.00 0.00 C ATOM 1048 CE2 TYR A 60 9.115 6.645 12.535 1.00 0.00 C ATOM 1049 CZ TYR A 60 8.017 7.458 12.345 1.00 0.00 C ATOM 1050 OH TYR A 60 7.649 8.349 13.327 1.00 0.00 O ATOM 0 H TYR A 60 7.400 4.777 7.565 1.00 0.00 H new ATOM 0 HA TYR A 60 8.698 2.652 8.741 1.00 0.00 H new ATOM 0 HB2 TYR A 60 10.141 4.254 9.535 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.293 5.218 8.342 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.088 6.430 9.281 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.344 5.118 11.697 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.430 8.023 11.031 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.684 6.706 13.451 1.00 0.00 H new ATOM 0 HH TYR A 60 8.266 8.274 14.085 1.00 0.00 H new ATOM 1060 N ARG A 61 6.303 3.822 10.603 1.00 0.00 N ATOM 1061 CA ARG A 61 5.536 3.601 11.823 1.00 0.00 C ATOM 1062 C ARG A 61 4.762 2.288 11.748 1.00 0.00 C ATOM 1063 O ARG A 61 4.641 1.568 12.740 1.00 0.00 O ATOM 1064 CB ARG A 61 4.569 4.762 12.060 1.00 0.00 C ATOM 1065 CG ARG A 61 4.225 4.979 13.525 1.00 0.00 C ATOM 1066 CD ARG A 61 3.785 6.410 13.788 1.00 0.00 C ATOM 1067 NE ARG A 61 2.911 6.509 14.953 1.00 0.00 N ATOM 1068 CZ ARG A 61 1.636 6.133 14.950 1.00 0.00 C ATOM 1069 NH1 ARG A 61 1.091 5.637 13.848 1.00 0.00 N ATOM 1070 NH2 ARG A 61 0.905 6.254 16.051 1.00 0.00 N ATOM 0 H ARG A 61 5.868 4.466 9.942 1.00 0.00 H new ATOM 0 HA ARG A 61 6.236 3.544 12.657 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.007 5.676 11.659 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.650 4.578 11.503 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.430 4.293 13.819 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.092 4.745 14.142 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.664 7.037 13.940 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.265 6.796 12.911 1.00 0.00 H new ATOM 0 HE ARG A 61 3.300 6.887 15.817 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.650 5.543 13.000 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.112 5.349 13.848 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.321 6.636 16.900 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.073 5.965 16.048 1.00 0.00 H new ATOM 1084 N LEU A 62 4.241 1.981 10.565 1.00 0.00 N ATOM 1085 CA LEU A 62 3.478 0.755 10.359 1.00 0.00 C ATOM 1086 C LEU A 62 4.340 -0.474 10.629 1.00 0.00 C ATOM 1087 O LEU A 62 3.905 -1.415 11.293 1.00 0.00 O ATOM 1088 CB LEU A 62 2.930 0.705 8.932 1.00 0.00 C ATOM 1089 CG LEU A 62 1.678 -0.148 8.723 1.00 0.00 C ATOM 1090 CD1 LEU A 62 1.976 -1.612 9.007 1.00 0.00 C ATOM 1091 CD2 LEU A 62 0.542 0.348 9.606 1.00 0.00 C ATOM 0 H LEU A 62 4.333 2.565 9.734 1.00 0.00 H new ATOM 0 HA LEU A 62 2.644 0.753 11.061 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.709 1.724 8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.715 0.329 8.276 1.00 0.00 H new ATOM 0 HG LEU A 62 1.369 -0.057 7.682 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.073 -2.204 8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.758 -1.961 8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.310 -1.722 10.039 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.341 -0.270 9.444 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.841 0.287 10.652 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.311 1.383 9.354 1.00 0.00 H new