USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=7 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= -1.12 K(o=-1.1,f=-4.6!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 77:sc= 0.861 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot -122:sc= -1.12 USER MOD Single : A 28 GLN : amide:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.097 K(o=-0.097,f=-1.8!) USER MOD Single : A 45 GLN : amide:sc= -0.0576 K(o=-0.058,f=-4.6!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.862 K(o=-0.86,f=-4.4!) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0346) USER MOD Single : A 55 ASN : amide:sc= 0.017 K(o=0.017,f=-0.74) USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00364) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 229 N ARG A 14 9.132 1.383 -8.334 1.00 0.00 N ATOM 230 CA ARG A 14 10.097 1.629 -7.270 1.00 0.00 C ATOM 231 C ARG A 14 10.372 3.123 -7.120 1.00 0.00 C ATOM 232 O ARG A 14 10.827 3.577 -6.071 1.00 0.00 O ATOM 233 CB ARG A 14 11.404 0.886 -7.555 1.00 0.00 C ATOM 234 CG ARG A 14 12.011 1.219 -8.908 1.00 0.00 C ATOM 235 CD ARG A 14 11.758 0.112 -9.920 1.00 0.00 C ATOM 236 NE ARG A 14 12.886 -0.066 -10.830 1.00 0.00 N ATOM 237 CZ ARG A 14 12.815 -0.757 -11.962 1.00 0.00 C ATOM 238 NH1 ARG A 14 11.676 -1.332 -12.322 1.00 0.00 N ATOM 239 NH2 ARG A 14 13.885 -0.873 -12.738 1.00 0.00 N ATOM 0 HA ARG A 14 9.672 1.259 -6.337 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.126 1.125 -6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.221 -0.187 -7.503 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.589 2.154 -9.277 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.084 1.375 -8.798 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.566 -0.823 -9.394 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.862 0.344 -10.495 1.00 0.00 H new ATOM 0 HE ARG A 14 13.777 0.364 -10.583 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.851 -1.244 -11.729 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.625 -1.862 -13.192 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.763 -0.431 -12.465 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.830 -1.404 -13.607 1.00 0.00 H new ATOM 253 N GLN A 15 10.093 3.879 -8.177 1.00 0.00 N ATOM 254 CA GLN A 15 10.311 5.321 -8.162 1.00 0.00 C ATOM 255 C GLN A 15 9.558 5.974 -7.008 1.00 0.00 C ATOM 256 O GLN A 15 10.134 6.736 -6.232 1.00 0.00 O ATOM 257 CB GLN A 15 9.869 5.938 -9.490 1.00 0.00 C ATOM 258 CG GLN A 15 10.744 5.540 -10.668 1.00 0.00 C ATOM 259 CD GLN A 15 12.075 6.265 -10.677 1.00 0.00 C ATOM 260 OE1 GLN A 15 12.562 6.706 -9.636 1.00 0.00 O ATOM 261 NE2 GLN A 15 12.672 6.392 -11.856 1.00 0.00 N ATOM 0 H GLN A 15 9.716 3.518 -9.053 1.00 0.00 H new ATOM 0 HA GLN A 15 11.377 5.501 -8.023 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.841 5.640 -9.695 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.873 7.024 -9.396 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.920 4.465 -10.638 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.214 5.750 -11.597 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.232 6.011 -12.694 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.570 6.870 -11.924 1.00 0.00 H new ATOM 270 N GLN A 16 8.268 5.671 -6.903 1.00 0.00 N ATOM 271 CA GLN A 16 7.437 6.230 -5.843 1.00 0.00 C ATOM 272 C GLN A 16 8.034 5.937 -4.471 1.00 0.00 C ATOM 273 O GLN A 16 7.896 6.732 -3.540 1.00 0.00 O ATOM 274 CB GLN A 16 6.018 5.663 -5.927 1.00 0.00 C ATOM 275 CG GLN A 16 5.375 5.833 -7.294 1.00 0.00 C ATOM 276 CD GLN A 16 3.902 5.475 -7.294 1.00 0.00 C ATOM 277 OE1 GLN A 16 3.073 6.206 -6.751 1.00 0.00 O ATOM 278 NE2 GLN A 16 3.568 4.344 -7.905 1.00 0.00 N ATOM 0 H GLN A 16 7.776 5.042 -7.538 1.00 0.00 H new ATOM 0 HA GLN A 16 7.398 7.311 -5.978 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.044 4.603 -5.676 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.395 6.152 -5.178 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.494 6.866 -7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.897 5.207 -8.017 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.288 3.769 -8.342 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.592 4.051 -7.937 1.00 0.00 H new ATOM 287 N LEU A 17 8.697 4.792 -4.352 1.00 0.00 N ATOM 288 CA LEU A 17 9.316 4.394 -3.092 1.00 0.00 C ATOM 289 C LEU A 17 10.749 4.908 -3.003 1.00 0.00 C ATOM 290 O LEU A 17 11.372 4.854 -1.943 1.00 0.00 O ATOM 291 CB LEU A 17 9.299 2.870 -2.952 1.00 0.00 C ATOM 292 CG LEU A 17 7.928 2.233 -2.719 1.00 0.00 C ATOM 293 CD1 LEU A 17 7.775 0.976 -3.560 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.730 1.918 -1.244 1.00 0.00 C ATOM 0 H LEU A 17 8.820 4.123 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 17 8.741 4.834 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.730 2.437 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.951 2.594 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 17 7.161 2.945 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.794 0.536 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.872 1.230 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.549 0.259 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.749 1.465 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.503 1.224 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.796 2.838 -0.663 1.00 0.00 H new ATOM 306 N GLU A 18 11.264 5.407 -4.122 1.00 0.00 N ATOM 307 CA GLU A 18 12.624 5.932 -4.168 1.00 0.00 C ATOM 308 C GLU A 18 12.714 7.273 -3.445 1.00 0.00 C ATOM 309 O GLU A 18 13.678 7.538 -2.726 1.00 0.00 O ATOM 310 CB GLU A 18 13.084 6.091 -5.619 1.00 0.00 C ATOM 311 CG GLU A 18 13.464 4.778 -6.284 1.00 0.00 C ATOM 312 CD GLU A 18 14.965 4.594 -6.395 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.629 4.492 -5.343 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.475 4.553 -7.534 1.00 0.00 O ATOM 0 H GLU A 18 10.761 5.459 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 18 13.278 5.221 -3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.287 6.563 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.940 6.765 -5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.041 3.951 -5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.022 4.738 -7.280 1.00 0.00 H new ATOM 321 N ILE A 19 11.705 8.114 -3.643 1.00 0.00 N ATOM 322 CA ILE A 19 11.670 9.427 -3.010 1.00 0.00 C ATOM 323 C ILE A 19 12.073 9.340 -1.542 1.00 0.00 C ATOM 324 O ILE A 19 12.764 10.218 -1.023 1.00 0.00 O ATOM 325 CB ILE A 19 10.271 10.063 -3.110 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.784 10.050 -4.560 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.295 11.483 -2.566 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.587 9.154 -4.788 1.00 0.00 C ATOM 0 H ILE A 19 10.901 7.910 -4.236 1.00 0.00 H new ATOM 0 HA ILE A 19 12.384 10.054 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 19 9.577 9.476 -2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.528 11.067 -4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.600 9.724 -5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.299 11.919 -2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.604 11.467 -1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 19 10.999 12.082 -3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.297 9.195 -5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.844 8.129 -4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.756 9.492 -4.169 1.00 0.00 H new ATOM 340 N LEU A 20 11.638 8.275 -0.877 1.00 0.00 N ATOM 341 CA LEU A 20 11.954 8.072 0.533 1.00 0.00 C ATOM 342 C LEU A 20 13.193 7.195 0.692 1.00 0.00 C ATOM 343 O LEU A 20 14.206 7.630 1.238 1.00 0.00 O ATOM 344 CB LEU A 20 10.767 7.433 1.255 1.00 0.00 C ATOM 345 CG LEU A 20 9.398 7.638 0.607 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.193 9.100 0.244 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.252 6.755 -0.623 1.00 0.00 C ATOM 0 H LEU A 20 11.066 7.539 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 20 12.160 9.045 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.951 6.362 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.729 7.828 2.270 1.00 0.00 H new ATOM 0 HG LEU A 20 8.631 7.353 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.213 9.227 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.252 9.710 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.966 9.413 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.271 6.914 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.027 7.008 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.353 5.709 -0.334 1.00 0.00 H new ATOM 359 N GLU A 21 13.103 5.960 0.208 1.00 0.00 N ATOM 360 CA GLU A 21 14.218 5.024 0.296 1.00 0.00 C ATOM 361 C GLU A 21 15.532 5.707 -0.069 1.00 0.00 C ATOM 362 O GLU A 21 16.600 5.323 0.411 1.00 0.00 O ATOM 363 CB GLU A 21 13.980 3.825 -0.625 1.00 0.00 C ATOM 364 CG GLU A 21 14.420 2.500 -0.026 1.00 0.00 C ATOM 365 CD GLU A 21 14.786 1.476 -1.082 1.00 0.00 C ATOM 366 OE1 GLU A 21 14.130 1.457 -2.144 1.00 0.00 O ATOM 367 OE2 GLU A 21 15.730 0.693 -0.846 1.00 0.00 O ATOM 0 H GLU A 21 12.271 5.585 -0.248 1.00 0.00 H new ATOM 0 HA GLU A 21 14.285 4.674 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.919 3.770 -0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.514 3.986 -1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.278 2.667 0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.619 2.103 0.597 1.00 0.00 H new ATOM 374 N THR A 22 15.448 6.722 -0.923 1.00 0.00 N ATOM 375 CA THR A 22 16.629 7.458 -1.355 1.00 0.00 C ATOM 376 C THR A 22 16.884 8.664 -0.458 1.00 0.00 C ATOM 377 O THR A 22 17.991 8.850 0.049 1.00 0.00 O ATOM 378 CB THR A 22 16.491 7.937 -2.813 1.00 0.00 C ATOM 379 OG1 THR A 22 16.059 6.855 -3.645 1.00 0.00 O ATOM 380 CG2 THR A 22 17.812 8.485 -3.330 1.00 0.00 C ATOM 0 H THR A 22 14.573 7.053 -1.329 1.00 0.00 H new ATOM 0 HA THR A 22 17.472 6.771 -1.284 1.00 0.00 H new ATOM 0 HB THR A 22 15.749 8.735 -2.841 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.099 6.708 -3.517 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.690 8.817 -4.361 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.123 9.327 -2.712 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.571 7.704 -3.288 1.00 0.00 H new ATOM 388 N LEU A 23 15.854 9.480 -0.266 1.00 0.00 N ATOM 389 CA LEU A 23 15.967 10.669 0.572 1.00 0.00 C ATOM 390 C LEU A 23 15.999 10.293 2.050 1.00 0.00 C ATOM 391 O LEU A 23 17.002 10.503 2.733 1.00 0.00 O ATOM 392 CB LEU A 23 14.799 11.620 0.302 1.00 0.00 C ATOM 393 CG LEU A 23 14.936 13.031 0.875 1.00 0.00 C ATOM 394 CD1 LEU A 23 13.991 13.989 0.167 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.671 13.026 2.373 1.00 0.00 C ATOM 0 H LEU A 23 14.932 9.341 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 23 16.902 11.171 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.663 11.699 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.891 11.172 0.706 1.00 0.00 H new ATOM 0 HG LEU A 23 15.958 13.373 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.103 14.988 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.229 14.015 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.963 13.652 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.773 14.038 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.661 12.664 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.389 12.372 2.867 1.00 0.00 H new ATOM 407 N PHE A 24 14.897 9.734 2.537 1.00 0.00 N ATOM 408 CA PHE A 24 14.799 9.326 3.934 1.00 0.00 C ATOM 409 C PHE A 24 16.065 8.599 4.378 1.00 0.00 C ATOM 410 O PHE A 24 16.511 8.744 5.515 1.00 0.00 O ATOM 411 CB PHE A 24 13.580 8.425 4.141 1.00 0.00 C ATOM 412 CG PHE A 24 13.537 7.777 5.495 1.00 0.00 C ATOM 413 CD1 PHE A 24 13.819 8.509 6.637 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.213 6.436 5.626 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.779 7.916 7.885 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.172 5.838 6.871 1.00 0.00 C ATOM 417 CZ PHE A 24 13.456 6.578 8.002 1.00 0.00 C ATOM 0 H PHE A 24 14.059 9.553 1.985 1.00 0.00 H new ATOM 0 HA PHE A 24 14.685 10.224 4.541 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.674 9.015 4.000 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.577 7.649 3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 24 14.073 9.555 6.551 1.00 0.00 H new ATOM 0 HD2 PHE A 24 12.990 5.852 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 24 14.000 8.498 8.767 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.918 4.792 6.960 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.426 6.112 8.976 1.00 0.00 H new ATOM 427 N ASN A 25 16.639 7.814 3.471 1.00 0.00 N ATOM 428 CA ASN A 25 17.852 7.063 3.769 1.00 0.00 C ATOM 429 C ASN A 25 19.080 7.967 3.713 1.00 0.00 C ATOM 430 O ASN A 25 19.956 7.894 4.574 1.00 0.00 O ATOM 431 CB ASN A 25 18.013 5.903 2.783 1.00 0.00 C ATOM 432 CG ASN A 25 19.076 4.915 3.223 1.00 0.00 C ATOM 433 OD1 ASN A 25 20.236 5.015 2.822 1.00 0.00 O ATOM 434 ND2 ASN A 25 18.684 3.953 4.050 1.00 0.00 N ATOM 0 H ASN A 25 16.283 7.682 2.524 1.00 0.00 H new ATOM 0 HA ASN A 25 17.763 6.664 4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.060 5.384 2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.272 6.298 1.801 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.355 3.258 4.379 1.00 0.00 H new ATOM 0 HD22 ASN A 25 17.712 3.909 4.357 1.00 0.00 H new ATOM 441 N GLU A 26 19.135 8.818 2.693 1.00 0.00 N ATOM 442 CA GLU A 26 20.255 9.736 2.525 1.00 0.00 C ATOM 443 C GLU A 26 20.491 10.545 3.797 1.00 0.00 C ATOM 444 O GLU A 26 21.622 10.666 4.269 1.00 0.00 O ATOM 445 CB GLU A 26 19.998 10.679 1.348 1.00 0.00 C ATOM 446 CG GLU A 26 21.121 11.675 1.110 1.00 0.00 C ATOM 447 CD GLU A 26 22.440 11.001 0.787 1.00 0.00 C ATOM 448 OE1 GLU A 26 23.089 10.488 1.723 1.00 0.00 O ATOM 449 OE2 GLU A 26 22.824 10.986 -0.401 1.00 0.00 O ATOM 0 H GLU A 26 18.418 8.891 1.971 1.00 0.00 H new ATOM 0 HA GLU A 26 21.148 9.145 2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.851 10.087 0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.071 11.225 1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.846 12.338 0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.243 12.298 1.996 1.00 0.00 H new ATOM 456 N THR A 27 19.415 11.098 4.348 1.00 0.00 N ATOM 457 CA THR A 27 19.504 11.897 5.563 1.00 0.00 C ATOM 458 C THR A 27 18.129 12.389 6.000 1.00 0.00 C ATOM 459 O THR A 27 17.140 12.201 5.292 1.00 0.00 O ATOM 460 CB THR A 27 20.433 13.110 5.372 1.00 0.00 C ATOM 461 OG1 THR A 27 20.689 13.316 3.978 1.00 0.00 O ATOM 462 CG2 THR A 27 21.749 12.907 6.109 1.00 0.00 C ATOM 0 H THR A 27 18.471 11.007 3.971 1.00 0.00 H new ATOM 0 HA THR A 27 19.918 11.250 6.336 1.00 0.00 H new ATOM 0 HB THR A 27 19.936 13.988 5.784 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.654 13.278 3.814 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.388 13.777 5.959 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.554 12.780 7.174 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.249 12.019 5.723 1.00 0.00 H new ATOM 470 N GLN A 28 18.074 13.020 7.169 1.00 0.00 N ATOM 471 CA GLN A 28 16.819 13.538 7.698 1.00 0.00 C ATOM 472 C GLN A 28 16.728 15.048 7.504 1.00 0.00 C ATOM 473 O GLN A 28 16.321 15.777 8.409 1.00 0.00 O ATOM 474 CB GLN A 28 16.686 13.194 9.183 1.00 0.00 C ATOM 475 CG GLN A 28 16.404 11.724 9.444 1.00 0.00 C ATOM 476 CD GLN A 28 16.406 11.382 10.921 1.00 0.00 C ATOM 477 OE1 GLN A 28 15.402 10.919 11.464 1.00 0.00 O ATOM 478 NE2 GLN A 28 17.536 11.609 11.580 1.00 0.00 N ATOM 0 H GLN A 28 18.884 13.184 7.767 1.00 0.00 H new ATOM 0 HA GLN A 28 16.002 13.070 7.149 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.605 13.476 9.696 1.00 0.00 H new ATOM 0 HB3 GLN A 28 15.884 13.792 9.615 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.436 11.462 9.016 1.00 0.00 H new ATOM 0 HG3 GLN A 28 17.153 11.118 8.934 1.00 0.00 H new ATOM 0 HE21 GLN A 28 18.344 11.994 11.090 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.596 11.399 12.576 1.00 0.00 H new ATOM 487 N TYR A 29 17.112 15.511 6.319 1.00 0.00 N ATOM 488 CA TYR A 29 17.077 16.935 6.007 1.00 0.00 C ATOM 489 C TYR A 29 16.016 17.236 4.953 1.00 0.00 C ATOM 490 O TYR A 29 16.312 17.418 3.772 1.00 0.00 O ATOM 491 CB TYR A 29 18.447 17.405 5.517 1.00 0.00 C ATOM 492 CG TYR A 29 19.581 17.039 6.447 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.463 17.215 7.821 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.771 16.519 5.953 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.497 16.882 8.674 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.810 16.183 6.800 1.00 0.00 C ATOM 497 CZ TYR A 29 21.668 16.366 8.159 1.00 0.00 C ATOM 498 OH TYR A 29 22.701 16.034 9.006 1.00 0.00 O ATOM 0 H TYR A 29 17.451 14.921 5.559 1.00 0.00 H new ATOM 0 HA TYR A 29 16.820 17.474 6.919 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.640 16.973 4.535 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.427 18.487 5.391 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.548 17.619 8.228 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.886 16.375 4.889 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.389 17.025 9.739 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.728 15.779 6.399 1.00 0.00 H new ATOM 0 HH TYR A 29 23.453 15.684 8.484 1.00 0.00 H new ATOM 508 N PRO A 30 14.749 17.291 5.389 1.00 0.00 N ATOM 509 CA PRO A 30 13.617 17.571 4.500 1.00 0.00 C ATOM 510 C PRO A 30 13.612 19.013 4.005 1.00 0.00 C ATOM 511 O PRO A 30 12.850 19.845 4.496 1.00 0.00 O ATOM 512 CB PRO A 30 12.397 17.305 5.385 1.00 0.00 C ATOM 513 CG PRO A 30 12.884 17.520 6.777 1.00 0.00 C ATOM 514 CD PRO A 30 14.323 17.084 6.784 1.00 0.00 C ATOM 0 HA PRO A 30 13.647 16.961 3.597 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.578 17.982 5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.023 16.290 5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.792 18.567 7.065 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.297 16.941 7.490 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.919 17.676 7.478 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.426 16.041 7.085 1.00 0.00 H new ATOM 522 N ASP A 31 14.466 19.301 3.029 1.00 0.00 N ATOM 523 CA ASP A 31 14.559 20.643 2.465 1.00 0.00 C ATOM 524 C ASP A 31 14.421 20.605 0.947 1.00 0.00 C ATOM 525 O ASP A 31 14.348 19.533 0.346 1.00 0.00 O ATOM 526 CB ASP A 31 15.889 21.291 2.854 1.00 0.00 C ATOM 527 CG ASP A 31 15.905 21.762 4.295 1.00 0.00 C ATOM 528 OD1 ASP A 31 16.026 20.906 5.197 1.00 0.00 O ATOM 529 OD2 ASP A 31 15.798 22.985 4.520 1.00 0.00 O ATOM 0 H ASP A 31 15.104 18.623 2.612 1.00 0.00 H new ATOM 0 HA ASP A 31 13.741 21.239 2.870 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.697 20.576 2.700 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.083 22.138 2.196 1.00 0.00 H new ATOM 534 N VAL A 32 14.386 21.783 0.331 1.00 0.00 N ATOM 535 CA VAL A 32 14.257 21.885 -1.117 1.00 0.00 C ATOM 536 C VAL A 32 15.311 21.040 -1.824 1.00 0.00 C ATOM 537 O VAL A 32 15.014 20.340 -2.792 1.00 0.00 O ATOM 538 CB VAL A 32 14.383 23.345 -1.591 1.00 0.00 C ATOM 539 CG1 VAL A 32 13.151 24.144 -1.194 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.645 23.980 -1.026 1.00 0.00 C ATOM 0 H VAL A 32 14.445 22.680 0.813 1.00 0.00 H new ATOM 0 HA VAL A 32 13.265 21.512 -1.373 1.00 0.00 H new ATOM 0 HB VAL A 32 14.455 23.351 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.258 25.173 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.266 23.700 -1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.044 24.133 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.719 25.011 -1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.605 23.963 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.517 23.421 -1.365 1.00 0.00 H new ATOM 550 N PHE A 33 16.544 21.110 -1.333 1.00 0.00 N ATOM 551 CA PHE A 33 17.643 20.352 -1.917 1.00 0.00 C ATOM 552 C PHE A 33 17.317 18.862 -1.956 1.00 0.00 C ATOM 553 O PHE A 33 17.873 18.114 -2.759 1.00 0.00 O ATOM 554 CB PHE A 33 18.930 20.582 -1.122 1.00 0.00 C ATOM 555 CG PHE A 33 19.899 21.505 -1.803 1.00 0.00 C ATOM 556 CD1 PHE A 33 19.788 22.879 -1.657 1.00 0.00 C ATOM 557 CD2 PHE A 33 20.921 21.000 -2.590 1.00 0.00 C ATOM 558 CE1 PHE A 33 20.678 23.730 -2.284 1.00 0.00 C ATOM 559 CE2 PHE A 33 21.814 21.846 -3.219 1.00 0.00 C ATOM 560 CZ PHE A 33 21.693 23.213 -3.065 1.00 0.00 C ATOM 0 H PHE A 33 16.807 21.684 -0.532 1.00 0.00 H new ATOM 0 HA PHE A 33 17.788 20.702 -2.939 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.675 20.992 -0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.416 19.622 -0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.997 23.289 -1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 33 21.021 19.932 -2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.580 24.799 -2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 33 22.606 21.439 -3.830 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.391 23.876 -3.554 1.00 0.00 H new ATOM 570 N ALA A 34 16.410 18.438 -1.081 1.00 0.00 N ATOM 571 CA ALA A 34 16.007 17.039 -1.016 1.00 0.00 C ATOM 572 C ALA A 34 14.873 16.747 -1.992 1.00 0.00 C ATOM 573 O ALA A 34 15.039 15.979 -2.940 1.00 0.00 O ATOM 574 CB ALA A 34 15.593 16.675 0.402 1.00 0.00 C ATOM 0 H ALA A 34 15.941 19.044 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 34 16.862 16.427 -1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.294 15.627 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.432 16.835 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.755 17.301 0.709 1.00 0.00 H new ATOM 580 N ARG A 35 13.721 17.365 -1.754 1.00 0.00 N ATOM 581 CA ARG A 35 12.558 17.170 -2.612 1.00 0.00 C ATOM 582 C ARG A 35 12.894 17.493 -4.065 1.00 0.00 C ATOM 583 O ARG A 35 12.511 16.761 -4.977 1.00 0.00 O ATOM 584 CB ARG A 35 11.396 18.047 -2.139 1.00 0.00 C ATOM 585 CG ARG A 35 11.791 19.491 -1.876 1.00 0.00 C ATOM 586 CD ARG A 35 10.580 20.345 -1.535 1.00 0.00 C ATOM 587 NE ARG A 35 10.919 21.434 -0.621 1.00 0.00 N ATOM 588 CZ ARG A 35 10.176 22.525 -0.471 1.00 0.00 C ATOM 589 NH1 ARG A 35 9.059 22.672 -1.170 1.00 0.00 N ATOM 590 NH2 ARG A 35 10.550 23.471 0.380 1.00 0.00 N ATOM 0 H ARG A 35 13.568 18.005 -0.975 1.00 0.00 H new ATOM 0 HA ARG A 35 12.263 16.123 -2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.607 18.026 -2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.979 17.621 -1.226 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.508 19.530 -1.056 1.00 0.00 H new ATOM 0 HG3 ARG A 35 12.290 19.899 -2.755 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.158 20.758 -2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.810 19.719 -1.084 1.00 0.00 H new ATOM 0 HE ARG A 35 11.772 21.352 -0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.768 21.946 -1.825 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.491 23.511 -1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.409 23.361 0.920 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.979 24.308 0.495 1.00 0.00 H new ATOM 604 N GLU A 36 13.612 18.592 -4.271 1.00 0.00 N ATOM 605 CA GLU A 36 13.998 19.011 -5.613 1.00 0.00 C ATOM 606 C GLU A 36 14.920 17.982 -6.260 1.00 0.00 C ATOM 607 O GLU A 36 14.994 17.882 -7.485 1.00 0.00 O ATOM 608 CB GLU A 36 14.692 20.375 -5.566 1.00 0.00 C ATOM 609 CG GLU A 36 15.007 20.945 -6.939 1.00 0.00 C ATOM 610 CD GLU A 36 15.212 22.447 -6.913 1.00 0.00 C ATOM 611 OE1 GLU A 36 15.370 23.005 -5.807 1.00 0.00 O ATOM 612 OE2 GLU A 36 15.214 23.065 -7.998 1.00 0.00 O ATOM 0 H GLU A 36 13.938 19.208 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 36 13.093 19.092 -6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.057 21.078 -5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.618 20.283 -4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.905 20.466 -7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.194 20.705 -7.624 1.00 0.00 H new ATOM 619 N ARG A 37 15.622 17.219 -5.429 1.00 0.00 N ATOM 620 CA ARG A 37 16.540 16.198 -5.919 1.00 0.00 C ATOM 621 C ARG A 37 15.779 14.960 -6.384 1.00 0.00 C ATOM 622 O ARG A 37 15.815 14.602 -7.561 1.00 0.00 O ATOM 623 CB ARG A 37 17.541 15.815 -4.827 1.00 0.00 C ATOM 624 CG ARG A 37 18.547 14.763 -5.264 1.00 0.00 C ATOM 625 CD ARG A 37 18.994 13.900 -4.095 1.00 0.00 C ATOM 626 NE ARG A 37 20.202 13.141 -4.406 1.00 0.00 N ATOM 627 CZ ARG A 37 21.417 13.677 -4.447 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.583 14.969 -4.198 1.00 0.00 N ATOM 629 NH2 ARG A 37 22.468 12.921 -4.737 1.00 0.00 N ATOM 0 H ARG A 37 15.573 17.289 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 37 17.082 16.611 -6.770 1.00 0.00 H new ATOM 0 HB2 ARG A 37 18.078 16.709 -4.509 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.995 15.445 -3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.104 14.132 -6.035 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.414 15.250 -5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.177 14.533 -3.226 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.193 13.212 -3.825 1.00 0.00 H new ATOM 0 HE ARG A 37 20.108 12.145 -4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.777 15.553 -3.975 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.517 15.379 -4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.344 11.927 -4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.400 13.334 -4.768 1.00 0.00 H new ATOM 643 N VAL A 38 15.091 14.310 -5.450 1.00 0.00 N ATOM 644 CA VAL A 38 14.321 13.112 -5.764 1.00 0.00 C ATOM 645 C VAL A 38 13.342 13.371 -6.903 1.00 0.00 C ATOM 646 O VAL A 38 12.945 12.449 -7.616 1.00 0.00 O ATOM 647 CB VAL A 38 13.541 12.609 -4.535 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.464 11.861 -3.585 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.859 13.769 -3.826 1.00 0.00 C ATOM 0 H VAL A 38 15.051 14.593 -4.471 1.00 0.00 H new ATOM 0 HA VAL A 38 15.035 12.347 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 38 12.771 11.917 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.895 11.513 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.901 11.006 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.259 12.527 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.312 13.395 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.610 14.488 -3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.165 14.256 -4.511 1.00 0.00 H new ATOM 659 N ALA A 39 12.956 14.632 -7.069 1.00 0.00 N ATOM 660 CA ALA A 39 12.024 15.013 -8.124 1.00 0.00 C ATOM 661 C ALA A 39 12.547 14.597 -9.495 1.00 0.00 C ATOM 662 O ALA A 39 11.770 14.308 -10.405 1.00 0.00 O ATOM 663 CB ALA A 39 11.770 16.512 -8.086 1.00 0.00 C ATOM 0 H ALA A 39 13.274 15.407 -6.487 1.00 0.00 H new ATOM 0 HA ALA A 39 11.083 14.491 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.073 16.783 -8.879 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.345 16.785 -7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.710 17.044 -8.232 1.00 0.00 H new ATOM 669 N ASP A 40 13.868 14.570 -9.635 1.00 0.00 N ATOM 670 CA ASP A 40 14.495 14.189 -10.896 1.00 0.00 C ATOM 671 C ASP A 40 14.631 12.673 -10.999 1.00 0.00 C ATOM 672 O ASP A 40 14.853 12.134 -12.082 1.00 0.00 O ATOM 673 CB ASP A 40 15.870 14.847 -11.025 1.00 0.00 C ATOM 674 CG ASP A 40 16.357 14.891 -12.460 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.544 15.208 -13.354 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.552 14.610 -12.689 1.00 0.00 O ATOM 0 H ASP A 40 14.525 14.807 -8.892 1.00 0.00 H new ATOM 0 HA ASP A 40 13.857 14.534 -11.710 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.823 15.861 -10.629 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.590 14.300 -10.416 1.00 0.00 H new ATOM 681 N GLN A 41 14.496 11.993 -9.865 1.00 0.00 N ATOM 682 CA GLN A 41 14.605 10.540 -9.829 1.00 0.00 C ATOM 683 C GLN A 41 13.324 9.884 -10.334 1.00 0.00 C ATOM 684 O GLN A 41 13.360 9.038 -11.227 1.00 0.00 O ATOM 685 CB GLN A 41 14.908 10.066 -8.406 1.00 0.00 C ATOM 686 CG GLN A 41 16.272 10.503 -7.896 1.00 0.00 C ATOM 687 CD GLN A 41 17.387 9.583 -8.352 1.00 0.00 C ATOM 688 OE1 GLN A 41 17.137 8.499 -8.879 1.00 0.00 O ATOM 689 NE2 GLN A 41 18.628 10.013 -8.152 1.00 0.00 N ATOM 0 H GLN A 41 14.311 12.425 -8.960 1.00 0.00 H new ATOM 0 HA GLN A 41 15.424 10.246 -10.485 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.139 10.447 -7.734 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.849 8.978 -8.374 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.478 11.516 -8.242 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.255 10.535 -6.807 1.00 0.00 H new ATOM 0 HE21 GLN A 41 18.789 10.919 -7.711 1.00 0.00 H new ATOM 0 HE22 GLN A 41 19.420 9.437 -8.439 1.00 0.00 H new ATOM 698 N ILE A 42 12.195 10.281 -9.757 1.00 0.00 N ATOM 699 CA ILE A 42 10.903 9.733 -10.150 1.00 0.00 C ATOM 700 C ILE A 42 10.269 10.562 -11.261 1.00 0.00 C ATOM 701 O ILE A 42 9.227 10.196 -11.805 1.00 0.00 O ATOM 702 CB ILE A 42 9.933 9.667 -8.956 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.326 11.046 -8.687 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.650 9.148 -7.719 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.236 11.032 -7.639 1.00 0.00 C ATOM 0 H ILE A 42 12.149 10.980 -9.016 1.00 0.00 H new ATOM 0 HA ILE A 42 11.087 8.722 -10.514 1.00 0.00 H new ATOM 0 HB ILE A 42 9.126 8.977 -9.201 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.116 11.726 -8.369 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.919 11.443 -9.617 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.951 9.107 -6.884 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.039 8.149 -7.916 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.475 9.816 -7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.852 12.043 -7.500 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.427 10.378 -7.964 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.642 10.665 -6.696 1.00 0.00 H new ATOM 717 N ARG A 43 10.905 11.680 -11.595 1.00 0.00 N ATOM 718 CA ARG A 43 10.404 12.562 -12.642 1.00 0.00 C ATOM 719 C ARG A 43 9.101 13.230 -12.212 1.00 0.00 C ATOM 720 O ARG A 43 8.068 13.081 -12.867 1.00 0.00 O ATOM 721 CB ARG A 43 10.184 11.777 -13.937 1.00 0.00 C ATOM 722 CG ARG A 43 10.121 12.654 -15.177 1.00 0.00 C ATOM 723 CD ARG A 43 11.427 13.401 -15.398 1.00 0.00 C ATOM 724 NE ARG A 43 11.476 14.040 -16.710 1.00 0.00 N ATOM 725 CZ ARG A 43 12.487 14.797 -17.122 1.00 0.00 C ATOM 726 NH1 ARG A 43 13.529 15.006 -16.328 1.00 0.00 N ATOM 727 NH2 ARG A 43 12.459 15.344 -18.330 1.00 0.00 N ATOM 0 H ARG A 43 11.769 11.997 -11.155 1.00 0.00 H new ATOM 0 HA ARG A 43 11.150 13.338 -12.817 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.990 11.053 -14.055 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.256 11.210 -13.855 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.901 12.038 -16.049 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.304 13.369 -15.077 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.548 14.157 -14.622 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.262 12.707 -15.301 1.00 0.00 H new ATOM 0 HE ARG A 43 10.691 13.897 -17.345 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.555 14.585 -15.399 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.304 15.588 -16.646 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.660 15.184 -18.944 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.236 15.925 -18.645 1.00 0.00 H new ATOM 741 N LEU A 44 9.156 13.966 -11.108 1.00 0.00 N ATOM 742 CA LEU A 44 7.980 14.657 -10.590 1.00 0.00 C ATOM 743 C LEU A 44 8.347 16.047 -10.079 1.00 0.00 C ATOM 744 O LEU A 44 9.519 16.345 -9.851 1.00 0.00 O ATOM 745 CB LEU A 44 7.339 13.841 -9.466 1.00 0.00 C ATOM 746 CG LEU A 44 5.990 14.348 -8.954 1.00 0.00 C ATOM 747 CD1 LEU A 44 4.984 14.432 -10.092 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.468 13.448 -7.844 1.00 0.00 C ATOM 0 H LEU A 44 10.002 14.100 -10.554 1.00 0.00 H new ATOM 0 HA LEU A 44 7.264 14.766 -11.405 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.211 12.817 -9.815 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.034 13.807 -8.627 1.00 0.00 H new ATOM 0 HG LEU A 44 6.131 15.349 -8.547 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.030 14.795 -9.709 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.353 15.118 -10.854 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.847 13.443 -10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.507 13.824 -7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.343 12.435 -8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.179 13.439 -7.018 1.00 0.00 H new ATOM 760 N GLN A 45 7.336 16.892 -9.900 1.00 0.00 N ATOM 761 CA GLN A 45 7.553 18.249 -9.415 1.00 0.00 C ATOM 762 C GLN A 45 8.318 18.240 -8.096 1.00 0.00 C ATOM 763 O GLN A 45 8.176 17.319 -7.293 1.00 0.00 O ATOM 764 CB GLN A 45 6.215 18.970 -9.238 1.00 0.00 C ATOM 765 CG GLN A 45 5.998 20.101 -10.230 1.00 0.00 C ATOM 766 CD GLN A 45 6.892 21.295 -9.959 1.00 0.00 C ATOM 767 OE1 GLN A 45 8.118 21.181 -9.965 1.00 0.00 O ATOM 768 NE2 GLN A 45 6.282 22.450 -9.719 1.00 0.00 N ATOM 0 H GLN A 45 6.360 16.660 -10.084 1.00 0.00 H new ATOM 0 HA GLN A 45 8.149 18.782 -10.156 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.406 18.247 -9.341 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.158 19.370 -8.226 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.184 19.734 -11.239 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.955 20.417 -10.193 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.263 22.499 -9.724 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.832 23.288 -9.530 1.00 0.00 H new ATOM 777 N GLU A 46 9.128 19.272 -7.880 1.00 0.00 N ATOM 778 CA GLU A 46 9.916 19.381 -6.658 1.00 0.00 C ATOM 779 C GLU A 46 9.014 19.606 -5.447 1.00 0.00 C ATOM 780 O GLU A 46 9.212 19.005 -4.392 1.00 0.00 O ATOM 781 CB GLU A 46 10.925 20.525 -6.775 1.00 0.00 C ATOM 782 CG GLU A 46 10.287 21.871 -7.076 1.00 0.00 C ATOM 783 CD GLU A 46 11.311 22.945 -7.387 1.00 0.00 C ATOM 784 OE1 GLU A 46 12.064 23.329 -6.468 1.00 0.00 O ATOM 785 OE2 GLU A 46 11.359 23.402 -8.548 1.00 0.00 O ATOM 0 H GLU A 46 9.255 20.044 -8.535 1.00 0.00 H new ATOM 0 HA GLU A 46 10.455 18.444 -6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.487 20.599 -5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.641 20.288 -7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.608 21.766 -7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.686 22.183 -6.222 1.00 0.00 H new ATOM 792 N SER A 47 8.023 20.477 -5.609 1.00 0.00 N ATOM 793 CA SER A 47 7.093 20.786 -4.529 1.00 0.00 C ATOM 794 C SER A 47 6.008 19.719 -4.425 1.00 0.00 C ATOM 795 O SER A 47 5.374 19.562 -3.381 1.00 0.00 O ATOM 796 CB SER A 47 6.455 22.158 -4.754 1.00 0.00 C ATOM 797 OG SER A 47 5.657 22.537 -3.646 1.00 0.00 O ATOM 0 H SER A 47 7.843 20.981 -6.477 1.00 0.00 H new ATOM 0 HA SER A 47 7.653 20.803 -3.594 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.234 22.903 -4.917 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.843 22.135 -5.656 1.00 0.00 H new ATOM 0 HG SER A 47 5.262 23.418 -3.814 1.00 0.00 H new ATOM 803 N ARG A 48 5.800 18.987 -5.514 1.00 0.00 N ATOM 804 CA ARG A 48 4.791 17.935 -5.547 1.00 0.00 C ATOM 805 C ARG A 48 5.311 16.662 -4.887 1.00 0.00 C ATOM 806 O ARG A 48 4.621 16.046 -4.074 1.00 0.00 O ATOM 807 CB ARG A 48 4.377 17.641 -6.990 1.00 0.00 C ATOM 808 CG ARG A 48 3.267 16.609 -7.107 1.00 0.00 C ATOM 809 CD ARG A 48 1.972 17.112 -6.489 1.00 0.00 C ATOM 810 NE ARG A 48 1.509 18.347 -7.115 1.00 0.00 N ATOM 811 CZ ARG A 48 0.602 19.152 -6.572 1.00 0.00 C ATOM 812 NH1 ARG A 48 0.065 18.853 -5.397 1.00 0.00 N ATOM 813 NH2 ARG A 48 0.233 20.259 -7.203 1.00 0.00 N ATOM 0 H ARG A 48 6.317 19.103 -6.386 1.00 0.00 H new ATOM 0 HA ARG A 48 3.921 18.283 -4.990 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.051 18.568 -7.462 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.247 17.290 -7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.101 16.369 -8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.573 15.686 -6.613 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.203 16.346 -6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.121 17.280 -5.422 1.00 0.00 H new ATOM 0 HE ARG A 48 1.904 18.606 -8.019 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.348 18.004 -4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.631 19.472 -4.982 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.646 20.493 -8.106 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.463 20.876 -6.785 1.00 0.00 H new ATOM 827 N ILE A 49 6.531 16.274 -5.242 1.00 0.00 N ATOM 828 CA ILE A 49 7.143 15.075 -4.683 1.00 0.00 C ATOM 829 C ILE A 49 7.081 15.085 -3.159 1.00 0.00 C ATOM 830 O ILE A 49 7.116 14.033 -2.521 1.00 0.00 O ATOM 831 CB ILE A 49 8.612 14.935 -5.124 1.00 0.00 C ATOM 832 CG1 ILE A 49 8.972 13.460 -5.313 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.536 15.585 -4.105 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.369 13.243 -5.851 1.00 0.00 C ATOM 0 H ILE A 49 7.115 16.772 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 49 6.575 14.225 -5.062 1.00 0.00 H new ATOM 0 HB ILE A 49 8.739 15.446 -6.078 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.876 12.945 -4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.254 13.004 -5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.570 15.477 -4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.292 16.644 -4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.409 15.100 -3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.555 12.175 -5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.464 13.728 -6.822 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.096 13.669 -5.159 1.00 0.00 H new ATOM 846 N GLN A 50 6.987 16.279 -2.584 1.00 0.00 N ATOM 847 CA GLN A 50 6.918 16.425 -1.135 1.00 0.00 C ATOM 848 C GLN A 50 5.743 15.639 -0.563 1.00 0.00 C ATOM 849 O GLN A 50 5.854 15.018 0.494 1.00 0.00 O ATOM 850 CB GLN A 50 6.791 17.902 -0.756 1.00 0.00 C ATOM 851 CG GLN A 50 7.800 18.351 0.289 1.00 0.00 C ATOM 852 CD GLN A 50 7.542 19.761 0.782 1.00 0.00 C ATOM 853 OE1 GLN A 50 8.446 20.597 0.809 1.00 0.00 O ATOM 854 NE2 GLN A 50 6.303 20.034 1.175 1.00 0.00 N ATOM 0 H GLN A 50 6.957 17.159 -3.099 1.00 0.00 H new ATOM 0 HA GLN A 50 7.839 16.025 -0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.913 18.510 -1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.785 18.087 -0.380 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.772 17.664 1.135 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.803 18.296 -0.133 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.585 19.311 1.136 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.070 20.967 1.516 1.00 0.00 H new ATOM 863 N VAL A 51 4.618 15.668 -1.270 1.00 0.00 N ATOM 864 CA VAL A 51 3.422 14.957 -0.833 1.00 0.00 C ATOM 865 C VAL A 51 3.640 13.449 -0.858 1.00 0.00 C ATOM 866 O VAL A 51 3.087 12.718 -0.036 1.00 0.00 O ATOM 867 CB VAL A 51 2.209 15.304 -1.717 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.120 16.806 -1.937 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.289 14.566 -3.045 1.00 0.00 C ATOM 0 H VAL A 51 4.510 16.176 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 51 3.220 15.275 0.190 1.00 0.00 H new ATOM 0 HB VAL A 51 1.303 14.982 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.257 17.031 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.012 17.309 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.027 17.156 -2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.424 14.823 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.201 14.854 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.299 13.491 -2.864 1.00 0.00 H new ATOM 879 N TRP A 52 4.450 12.989 -1.805 1.00 0.00 N ATOM 880 CA TRP A 52 4.742 11.566 -1.936 1.00 0.00 C ATOM 881 C TRP A 52 5.877 11.155 -1.004 1.00 0.00 C ATOM 882 O TRP A 52 6.056 9.973 -0.713 1.00 0.00 O ATOM 883 CB TRP A 52 5.106 11.231 -3.383 1.00 0.00 C ATOM 884 CG TRP A 52 4.004 11.521 -4.356 1.00 0.00 C ATOM 885 CD1 TRP A 52 3.877 12.629 -5.144 1.00 0.00 C ATOM 886 CD2 TRP A 52 2.872 10.692 -4.641 1.00 0.00 C ATOM 887 NE1 TRP A 52 2.735 12.539 -5.902 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.101 11.359 -5.613 1.00 0.00 C ATOM 889 CE3 TRP A 52 2.436 9.450 -4.172 1.00 0.00 C ATOM 890 CZ2 TRP A 52 0.920 10.825 -6.121 1.00 0.00 C ATOM 891 CZ3 TRP A 52 1.264 8.921 -4.677 1.00 0.00 C ATOM 892 CH2 TRP A 52 0.517 9.608 -5.644 1.00 0.00 C ATOM 0 H TRP A 52 4.916 13.580 -2.493 1.00 0.00 H new ATOM 0 HA TRP A 52 3.848 11.009 -1.656 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.991 11.799 -3.668 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.370 10.176 -3.448 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.572 13.455 -5.168 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.411 13.237 -6.571 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.005 8.913 -3.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.342 11.353 -6.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.917 7.962 -4.321 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.395 9.168 -6.020 1.00 0.00 H new ATOM 903 N PHE A 53 6.641 12.138 -0.540 1.00 0.00 N ATOM 904 CA PHE A 53 7.760 11.878 0.358 1.00 0.00 C ATOM 905 C PHE A 53 7.289 11.161 1.620 1.00 0.00 C ATOM 906 O PHE A 53 8.083 10.547 2.332 1.00 0.00 O ATOM 907 CB PHE A 53 8.456 13.188 0.733 1.00 0.00 C ATOM 908 CG PHE A 53 9.547 13.017 1.751 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.599 12.146 1.518 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.521 13.728 2.939 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.604 11.986 2.453 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.524 13.573 3.879 1.00 0.00 C ATOM 913 CZ PHE A 53 11.567 12.702 3.635 1.00 0.00 C ATOM 0 H PHE A 53 6.506 13.122 -0.771 1.00 0.00 H new ATOM 0 HA PHE A 53 8.469 11.234 -0.163 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.877 13.637 -0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.714 13.886 1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.634 11.586 0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.708 14.412 3.134 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.418 11.302 2.260 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.491 14.132 4.802 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.353 12.580 4.366 1.00 0.00 H new ATOM 923 N LYS A 54 5.991 11.243 1.890 1.00 0.00 N ATOM 924 CA LYS A 54 5.411 10.602 3.064 1.00 0.00 C ATOM 925 C LYS A 54 5.009 9.164 2.756 1.00 0.00 C ATOM 926 O LYS A 54 4.781 8.365 3.664 1.00 0.00 O ATOM 927 CB LYS A 54 4.193 11.390 3.552 1.00 0.00 C ATOM 928 CG LYS A 54 4.018 11.367 5.061 1.00 0.00 C ATOM 929 CD LYS A 54 2.588 11.033 5.451 1.00 0.00 C ATOM 930 CE LYS A 54 2.332 11.315 6.924 1.00 0.00 C ATOM 931 NZ LYS A 54 1.396 10.324 7.523 1.00 0.00 N ATOM 0 H LYS A 54 5.320 11.748 1.311 1.00 0.00 H new ATOM 0 HA LYS A 54 6.166 10.589 3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.284 12.425 3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.296 10.983 3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.696 10.632 5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.292 12.337 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.898 11.617 4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.388 9.982 5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.277 11.297 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.920 12.318 7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.466 10.363 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.422 10.547 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.645 9.369 7.195 1.00 0.00 H new ATOM 945 N ASN A 55 4.924 8.840 1.470 1.00 0.00 N ATOM 946 CA ASN A 55 4.550 7.497 1.042 1.00 0.00 C ATOM 947 C ASN A 55 5.201 6.442 1.932 1.00 0.00 C ATOM 948 O ASN A 55 4.528 5.782 2.723 1.00 0.00 O ATOM 949 CB ASN A 55 4.956 7.272 -0.416 1.00 0.00 C ATOM 950 CG ASN A 55 4.900 5.809 -0.812 1.00 0.00 C ATOM 951 OD1 ASN A 55 4.047 5.058 -0.338 1.00 0.00 O ATOM 952 ND2 ASN A 55 5.813 5.398 -1.685 1.00 0.00 N ATOM 0 H ASN A 55 5.109 9.490 0.706 1.00 0.00 H new ATOM 0 HA ASN A 55 3.468 7.403 1.129 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.297 7.847 -1.067 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.967 7.649 -0.571 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.826 4.424 -1.989 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.501 6.056 -2.051 1.00 0.00 H new ATOM 959 N ARG A 56 6.514 6.290 1.796 1.00 0.00 N ATOM 960 CA ARG A 56 7.256 5.315 2.586 1.00 0.00 C ATOM 961 C ARG A 56 7.650 5.899 3.940 1.00 0.00 C ATOM 962 O ARG A 56 7.598 5.214 4.961 1.00 0.00 O ATOM 963 CB ARG A 56 8.507 4.861 1.832 1.00 0.00 C ATOM 964 CG ARG A 56 8.940 3.443 2.168 1.00 0.00 C ATOM 965 CD ARG A 56 10.365 3.407 2.699 1.00 0.00 C ATOM 966 NE ARG A 56 10.706 2.104 3.263 1.00 0.00 N ATOM 967 CZ ARG A 56 10.957 1.028 2.526 1.00 0.00 C ATOM 968 NH1 ARG A 56 10.905 1.099 1.203 1.00 0.00 N ATOM 969 NH2 ARG A 56 11.261 -0.123 3.112 1.00 0.00 N ATOM 0 H ARG A 56 7.086 6.830 1.146 1.00 0.00 H new ATOM 0 HA ARG A 56 6.609 4.454 2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.320 4.930 0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.325 5.545 2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.263 3.021 2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.866 2.818 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.058 3.646 1.893 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.487 4.176 3.462 1.00 0.00 H new ATOM 0 HE ARG A 56 10.754 2.015 4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.672 1.982 0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.098 0.271 0.640 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.302 -0.182 4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.454 -0.949 2.545 1.00 0.00 H new ATOM 983 N ARG A 57 8.044 7.169 3.939 1.00 0.00 N ATOM 984 CA ARG A 57 8.448 7.844 5.166 1.00 0.00 C ATOM 985 C ARG A 57 7.410 7.641 6.265 1.00 0.00 C ATOM 986 O ARG A 57 7.739 7.646 7.451 1.00 0.00 O ATOM 987 CB ARG A 57 8.648 9.339 4.908 1.00 0.00 C ATOM 988 CG ARG A 57 8.789 10.162 6.178 1.00 0.00 C ATOM 989 CD ARG A 57 9.968 9.695 7.017 1.00 0.00 C ATOM 990 NE ARG A 57 10.576 10.792 7.765 1.00 0.00 N ATOM 991 CZ ARG A 57 11.295 10.620 8.868 1.00 0.00 C ATOM 992 NH1 ARG A 57 11.495 9.400 9.349 1.00 0.00 N ATOM 993 NH2 ARG A 57 11.816 11.668 9.493 1.00 0.00 N ATOM 0 H ARG A 57 8.092 7.750 3.102 1.00 0.00 H new ATOM 0 HA ARG A 57 9.391 7.410 5.497 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.538 9.477 4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.803 9.716 4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.919 11.213 5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.873 10.089 6.764 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.636 8.923 7.711 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.717 9.240 6.369 1.00 0.00 H new ATOM 0 HE ARG A 57 10.441 11.743 7.421 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.096 8.592 8.871 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.048 9.270 10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.664 12.608 9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.368 11.534 10.340 1.00 0.00 H new ATOM 1007 N ALA A 58 6.156 7.464 5.863 1.00 0.00 N ATOM 1008 CA ALA A 58 5.071 7.258 6.813 1.00 0.00 C ATOM 1009 C ALA A 58 4.895 5.777 7.133 1.00 0.00 C ATOM 1010 O ALA A 58 4.536 5.411 8.253 1.00 0.00 O ATOM 1011 CB ALA A 58 3.774 7.839 6.268 1.00 0.00 C ATOM 0 H ALA A 58 5.867 7.459 4.885 1.00 0.00 H new ATOM 0 HA ALA A 58 5.328 7.775 7.737 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.972 7.678 6.988 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.898 8.908 6.096 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.522 7.348 5.328 1.00 0.00 H new ATOM 1017 N LYS A 59 5.149 4.928 6.143 1.00 0.00 N ATOM 1018 CA LYS A 59 5.020 3.487 6.318 1.00 0.00 C ATOM 1019 C LYS A 59 5.938 2.989 7.430 1.00 0.00 C ATOM 1020 O LYS A 59 5.719 1.919 7.997 1.00 0.00 O ATOM 1021 CB LYS A 59 5.347 2.762 5.011 1.00 0.00 C ATOM 1022 CG LYS A 59 4.135 2.132 4.345 1.00 0.00 C ATOM 1023 CD LYS A 59 3.056 3.164 4.061 1.00 0.00 C ATOM 1024 CE LYS A 59 2.526 3.039 2.641 1.00 0.00 C ATOM 1025 NZ LYS A 59 1.851 1.732 2.413 1.00 0.00 N ATOM 0 H LYS A 59 5.446 5.214 5.210 1.00 0.00 H new ATOM 0 HA LYS A 59 3.989 3.272 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.806 3.468 4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.086 1.986 5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.438 1.655 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.731 1.349 4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.236 3.039 4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.459 4.165 4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.824 3.849 2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.349 3.150 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.475 1.700 1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.536 0.960 2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.071 1.621 3.091 1.00 0.00 H new ATOM 1039 N TYR A 60 6.965 3.774 7.739 1.00 0.00 N ATOM 1040 CA TYR A 60 7.916 3.412 8.783 1.00 0.00 C ATOM 1041 C TYR A 60 7.197 3.114 10.095 1.00 0.00 C ATOM 1042 O TYR A 60 7.702 2.371 10.937 1.00 0.00 O ATOM 1043 CB TYR A 60 8.931 4.538 8.989 1.00 0.00 C ATOM 1044 CG TYR A 60 8.568 5.482 10.114 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.476 6.335 10.006 1.00 0.00 C ATOM 1046 CD2 TYR A 60 9.318 5.522 11.283 1.00 0.00 C ATOM 1047 CE1 TYR A 60 7.142 7.199 11.030 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.989 6.382 12.313 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.901 7.218 12.182 1.00 0.00 C ATOM 1050 OH TYR A 60 7.571 8.078 13.205 1.00 0.00 O ATOM 0 H TYR A 60 7.160 4.665 7.281 1.00 0.00 H new ATOM 0 HA TYR A 60 8.441 2.511 8.465 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.909 4.102 9.193 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.023 5.107 8.064 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.879 6.322 9.106 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.172 4.870 11.388 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.291 7.856 10.930 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.581 6.399 13.216 1.00 0.00 H new ATOM 0 HH TYR A 60 8.205 7.966 13.944 1.00 0.00 H new ATOM 1060 N ARG A 61 6.015 3.697 10.261 1.00 0.00 N ATOM 1061 CA ARG A 61 5.226 3.495 11.470 1.00 0.00 C ATOM 1062 C ARG A 61 4.514 2.146 11.435 1.00 0.00 C ATOM 1063 O ARG A 61 4.293 1.522 12.473 1.00 0.00 O ATOM 1064 CB ARG A 61 4.202 4.620 11.630 1.00 0.00 C ATOM 1065 CG ARG A 61 2.982 4.465 10.737 1.00 0.00 C ATOM 1066 CD ARG A 61 2.194 5.762 10.640 1.00 0.00 C ATOM 1067 NE ARG A 61 2.985 6.840 10.050 1.00 0.00 N ATOM 1068 CZ ARG A 61 2.642 8.121 10.112 1.00 0.00 C ATOM 1069 NH1 ARG A 61 1.529 8.484 10.736 1.00 0.00 N ATOM 1070 NH2 ARG A 61 3.414 9.044 9.551 1.00 0.00 N ATOM 0 H ARG A 61 5.582 4.313 9.573 1.00 0.00 H new ATOM 0 HA ARG A 61 5.905 3.507 12.323 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.878 4.659 12.670 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.684 5.573 11.410 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.296 4.154 9.741 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.340 3.677 11.130 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.299 5.599 10.040 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.861 6.059 11.634 1.00 0.00 H new ATOM 0 HE ARG A 61 3.848 6.595 9.564 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.934 7.778 11.170 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.268 9.469 10.782 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.271 8.769 9.072 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.150 10.028 9.599 1.00 0.00 H new ATOM 1084 N LEU A 62 4.156 1.703 10.235 1.00 0.00 N ATOM 1085 CA LEU A 62 3.468 0.428 10.064 1.00 0.00 C ATOM 1086 C LEU A 62 4.373 -0.736 10.457 1.00 0.00 C ATOM 1087 O LEU A 62 3.925 -1.701 11.076 1.00 0.00 O ATOM 1088 CB LEU A 62 3.008 0.264 8.614 1.00 0.00 C ATOM 1089 CG LEU A 62 2.076 -0.915 8.335 1.00 0.00 C ATOM 1090 CD1 LEU A 62 1.125 -0.585 7.195 1.00 0.00 C ATOM 1091 CD2 LEU A 62 2.880 -2.167 8.015 1.00 0.00 C ATOM 0 H LEU A 62 4.331 2.208 9.366 1.00 0.00 H new ATOM 0 HA LEU A 62 2.596 0.423 10.718 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.503 1.180 8.308 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.891 0.161 7.983 1.00 0.00 H new ATOM 0 HG LEU A 62 1.485 -1.106 9.231 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.469 -1.436 7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.525 0.285 7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.699 -0.367 6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.200 -2.996 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.497 -1.988 7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.520 -2.415 8.862 1.00 0.00 H new