USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 292 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 19 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0.059) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.549 -6.249 -3.689 1.00 0.00 N ATOM 224 CA LEU A 17 9.293 -7.516 -4.364 1.00 0.00 C ATOM 225 C LEU A 17 7.850 -7.590 -4.855 1.00 0.00 C ATOM 226 O LEU A 17 6.925 -7.786 -4.067 1.00 0.00 O ATOM 227 CB LEU A 17 9.584 -8.687 -3.423 1.00 0.00 C ATOM 228 CG LEU A 17 9.998 -9.998 -4.090 1.00 0.00 C ATOM 229 CD1 LEU A 17 9.023 -10.363 -5.201 1.00 0.00 C ATOM 230 CD2 LEU A 17 11.415 -9.897 -4.634 1.00 0.00 C ATOM 0 HA LEU A 17 9.955 -7.579 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.375 -8.387 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.694 -8.874 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 17 9.975 -10.788 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.334 -11.299 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.023 -10.479 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.014 -9.572 -5.951 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.692 -10.840 -5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.466 -9.095 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.104 -9.684 -3.817 1.00 0.00 H new ATOM 242 N ALA A 18 7.667 -7.435 -6.162 1.00 0.00 N ATOM 243 CA ALA A 18 6.337 -7.489 -6.758 1.00 0.00 C ATOM 244 C ALA A 18 6.415 -7.416 -8.280 1.00 0.00 C ATOM 245 O ALA A 18 7.173 -6.620 -8.837 1.00 0.00 O ATOM 246 CB ALA A 18 5.471 -6.361 -6.218 1.00 0.00 C ATOM 0 H ALA A 18 8.422 -7.271 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 18 5.883 -8.442 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.481 -6.413 -6.671 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.380 -6.458 -5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.930 -5.402 -6.459 1.00 0.00 H new ATOM 252 N THR A 19 5.627 -8.252 -8.948 1.00 0.00 N ATOM 253 CA THR A 19 5.607 -8.283 -10.405 1.00 0.00 C ATOM 254 C THR A 19 5.505 -6.877 -10.985 1.00 0.00 C ATOM 255 O THR A 19 5.105 -5.929 -10.309 1.00 0.00 O ATOM 256 CB THR A 19 4.433 -9.129 -10.933 1.00 0.00 C ATOM 257 OG1 THR A 19 3.339 -9.079 -10.010 1.00 0.00 O ATOM 258 CG2 THR A 19 4.860 -10.575 -11.143 1.00 0.00 C ATOM 0 H THR A 19 4.994 -8.917 -8.503 1.00 0.00 H new ATOM 0 HA THR A 19 6.545 -8.737 -10.723 1.00 0.00 H new ATOM 0 HB THR A 19 4.118 -8.716 -11.891 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.596 -9.618 -10.354 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.015 -11.153 -11.516 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.674 -10.613 -11.867 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.198 -10.996 -10.196 1.00 0.00 H new ATOM 266 N PRO A 20 5.876 -6.736 -12.265 1.00 0.00 N ATOM 267 CA PRO A 20 5.834 -5.448 -12.964 1.00 0.00 C ATOM 268 C PRO A 20 4.407 -4.975 -13.223 1.00 0.00 C ATOM 269 O PRO A 20 4.100 -3.791 -13.077 1.00 0.00 O ATOM 270 CB PRO A 20 6.548 -5.738 -14.287 1.00 0.00 C ATOM 271 CG PRO A 20 6.369 -7.201 -14.501 1.00 0.00 C ATOM 272 CD PRO A 20 6.363 -7.822 -13.131 1.00 0.00 C ATOM 0 HA PRO A 20 6.296 -4.653 -12.379 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.115 -5.162 -15.105 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.604 -5.472 -14.234 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.437 -7.407 -15.027 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.176 -7.608 -15.110 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.710 -8.694 -13.088 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.358 -8.155 -12.837 1.00 0.00 H new ATOM 280 N ALA A 21 3.540 -5.905 -13.606 1.00 0.00 N ATOM 281 CA ALA A 21 2.145 -5.584 -13.881 1.00 0.00 C ATOM 282 C ALA A 21 1.443 -5.069 -12.629 1.00 0.00 C ATOM 283 O ALA A 21 0.483 -4.304 -12.714 1.00 0.00 O ATOM 284 CB ALA A 21 1.421 -6.803 -14.432 1.00 0.00 C ATOM 0 H ALA A 21 3.779 -6.888 -13.733 1.00 0.00 H new ATOM 0 HA ALA A 21 2.121 -4.793 -14.630 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.380 -6.548 -14.633 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.901 -7.124 -15.357 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.462 -7.611 -13.702 1.00 0.00 H new ATOM 290 N VAL A 22 1.928 -5.496 -11.467 1.00 0.00 N ATOM 291 CA VAL A 22 1.346 -5.078 -10.196 1.00 0.00 C ATOM 292 C VAL A 22 1.958 -3.766 -9.718 1.00 0.00 C ATOM 293 O VAL A 22 1.278 -2.937 -9.111 1.00 0.00 O ATOM 294 CB VAL A 22 1.543 -6.150 -9.109 1.00 0.00 C ATOM 295 CG1 VAL A 22 0.984 -5.672 -7.779 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.893 -7.460 -9.529 1.00 0.00 C ATOM 0 H VAL A 22 2.722 -6.131 -11.379 1.00 0.00 H new ATOM 0 HA VAL A 22 0.279 -4.937 -10.367 1.00 0.00 H new ATOM 0 HB VAL A 22 2.612 -6.324 -8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.133 -6.443 -7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.499 -4.761 -7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.082 -5.468 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.042 -8.207 -8.749 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.175 -7.304 -9.682 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.346 -7.810 -10.457 1.00 0.00 H new ATOM 306 N ARG A 23 3.244 -3.583 -9.994 1.00 0.00 N ATOM 307 CA ARG A 23 3.948 -2.372 -9.590 1.00 0.00 C ATOM 308 C ARG A 23 3.272 -1.132 -10.169 1.00 0.00 C ATOM 309 O ARG A 23 3.404 -0.033 -9.631 1.00 0.00 O ATOM 310 CB ARG A 23 5.408 -2.429 -10.045 1.00 0.00 C ATOM 311 CG ARG A 23 6.294 -3.275 -9.145 1.00 0.00 C ATOM 312 CD ARG A 23 7.661 -3.505 -9.768 1.00 0.00 C ATOM 313 NE ARG A 23 8.457 -2.280 -9.811 1.00 0.00 N ATOM 314 CZ ARG A 23 9.653 -2.202 -10.381 1.00 0.00 C ATOM 315 NH1 ARG A 23 10.191 -3.270 -10.953 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.315 -1.052 -10.381 1.00 0.00 N ATOM 0 H ARG A 23 3.821 -4.258 -10.496 1.00 0.00 H new ATOM 0 HA ARG A 23 3.916 -2.309 -8.502 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.448 -2.827 -11.059 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.807 -1.416 -10.085 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.411 -2.782 -8.180 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.813 -4.235 -8.956 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.196 -4.265 -9.198 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.538 -3.893 -10.779 1.00 0.00 H new ATOM 0 HE ARG A 23 8.073 -1.440 -9.380 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.686 -4.156 -10.956 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.110 -3.206 -11.390 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.905 -0.227 -9.943 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.234 -0.993 -10.819 1.00 0.00 H new ATOM 330 N ARG A 24 2.550 -1.318 -11.269 1.00 0.00 N ATOM 331 CA ARG A 24 1.854 -0.215 -11.922 1.00 0.00 C ATOM 332 C ARG A 24 0.481 0.009 -11.295 1.00 0.00 C ATOM 333 O ARG A 24 0.065 1.148 -11.078 1.00 0.00 O ATOM 334 CB ARG A 24 1.704 -0.493 -13.418 1.00 0.00 C ATOM 335 CG ARG A 24 0.567 0.277 -14.070 1.00 0.00 C ATOM 336 CD ARG A 24 0.760 0.391 -15.574 1.00 0.00 C ATOM 337 NE ARG A 24 -0.501 0.623 -16.272 1.00 0.00 N ATOM 338 CZ ARG A 24 -1.424 -0.313 -16.453 1.00 0.00 C ATOM 339 NH1 ARG A 24 -1.228 -1.540 -15.990 1.00 0.00 N ATOM 340 NH2 ARG A 24 -2.547 -0.026 -17.099 1.00 0.00 N ATOM 0 H ARG A 24 2.432 -2.222 -11.727 1.00 0.00 H new ATOM 0 HA ARG A 24 2.448 0.688 -11.785 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.638 -0.241 -13.921 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.540 -1.560 -13.566 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.379 -0.223 -13.861 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.504 1.274 -13.634 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.449 1.207 -15.790 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.220 -0.523 -15.951 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.683 1.556 -16.641 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.366 -1.766 -15.493 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.939 -2.258 -16.130 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.702 0.916 -17.458 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.255 -0.747 -17.237 1.00 0.00 H new ATOM 354 N LEU A 25 -0.217 -1.083 -11.007 1.00 0.00 N ATOM 355 CA LEU A 25 -1.545 -1.006 -10.405 1.00 0.00 C ATOM 356 C LEU A 25 -1.568 0.010 -9.268 1.00 0.00 C ATOM 357 O LEU A 25 -2.614 0.575 -8.950 1.00 0.00 O ATOM 358 CB LEU A 25 -1.971 -2.381 -9.888 1.00 0.00 C ATOM 359 CG LEU A 25 -3.473 -2.664 -9.895 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.029 -2.564 -11.308 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.761 -4.036 -9.303 1.00 0.00 C ATOM 0 H LEU A 25 0.113 -2.032 -11.180 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.248 -0.680 -11.171 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.475 -3.143 -10.489 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.605 -2.493 -8.867 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.967 -1.913 -9.278 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.100 -2.769 -11.293 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.857 -1.560 -11.697 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.529 -3.291 -11.948 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.835 -4.220 -9.316 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.255 -4.800 -9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.400 -4.072 -8.275 1.00 0.00 H new ATOM 373 N ALA A 26 -0.408 0.236 -8.660 1.00 0.00 N ATOM 374 CA ALA A 26 -0.296 1.186 -7.559 1.00 0.00 C ATOM 375 C ALA A 26 -0.109 2.607 -8.079 1.00 0.00 C ATOM 376 O ALA A 26 -0.788 3.534 -7.638 1.00 0.00 O ATOM 377 CB ALA A 26 0.857 0.801 -6.645 1.00 0.00 C ATOM 0 H ALA A 26 0.467 -0.225 -8.911 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.224 1.154 -6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.929 1.519 -5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.682 -0.195 -6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.788 0.803 -7.213 1.00 0.00 H new ATOM 383 N MET A 27 0.816 2.772 -9.019 1.00 0.00 N ATOM 384 CA MET A 27 1.090 4.082 -9.598 1.00 0.00 C ATOM 385 C MET A 27 -0.170 4.678 -10.216 1.00 0.00 C ATOM 386 O MET A 27 -0.325 5.897 -10.275 1.00 0.00 O ATOM 387 CB MET A 27 2.190 3.974 -10.657 1.00 0.00 C ATOM 388 CG MET A 27 1.662 3.700 -12.056 1.00 0.00 C ATOM 389 SD MET A 27 2.914 3.000 -13.147 1.00 0.00 S ATOM 390 CE MET A 27 3.120 4.332 -14.327 1.00 0.00 C ATOM 0 H MET A 27 1.388 2.016 -9.396 1.00 0.00 H new ATOM 0 HA MET A 27 1.428 4.742 -8.799 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.764 4.901 -10.669 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.878 3.177 -10.375 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.817 3.015 -11.993 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.288 4.629 -12.487 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.866 4.048 -15.069 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.170 4.528 -14.824 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.450 5.231 -13.807 1.00 0.00 H new ATOM 400 N GLU A 28 -1.065 3.810 -10.677 1.00 0.00 N ATOM 401 CA GLU A 28 -2.312 4.253 -11.291 1.00 0.00 C ATOM 402 C GLU A 28 -3.357 4.579 -10.228 1.00 0.00 C ATOM 403 O GLU A 28 -4.225 5.427 -10.435 1.00 0.00 O ATOM 404 CB GLU A 28 -2.849 3.179 -12.239 1.00 0.00 C ATOM 405 CG GLU A 28 -1.891 2.825 -13.364 1.00 0.00 C ATOM 406 CD GLU A 28 -1.616 3.998 -14.285 1.00 0.00 C ATOM 407 OE1 GLU A 28 -2.542 4.805 -14.511 1.00 0.00 O ATOM 408 OE2 GLU A 28 -0.475 4.109 -14.781 1.00 0.00 O ATOM 0 H GLU A 28 -0.950 2.797 -10.637 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.105 5.159 -11.861 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.071 2.279 -11.666 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.789 3.523 -12.669 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.951 2.473 -12.939 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.306 2.001 -13.945 1.00 0.00 H new ATOM 415 N ASN A 29 -3.267 3.899 -9.090 1.00 0.00 N ATOM 416 CA ASN A 29 -4.205 4.114 -7.995 1.00 0.00 C ATOM 417 C ASN A 29 -3.530 4.841 -6.836 1.00 0.00 C ATOM 418 O ASN A 29 -4.033 4.840 -5.712 1.00 0.00 O ATOM 419 CB ASN A 29 -4.773 2.778 -7.511 1.00 0.00 C ATOM 420 CG ASN A 29 -5.779 2.192 -8.483 1.00 0.00 C ATOM 421 OD1 ASN A 29 -6.902 2.683 -8.602 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.381 1.137 -9.184 1.00 0.00 N ATOM 0 H ASN A 29 -2.554 3.194 -8.902 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.021 4.735 -8.366 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.957 2.070 -7.366 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.249 2.919 -6.540 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.015 0.701 -9.853 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.441 0.763 -9.053 1.00 0.00 H new ATOM 429 N ASN A 30 -2.390 5.461 -7.118 1.00 0.00 N ATOM 430 CA ASN A 30 -1.646 6.194 -6.098 1.00 0.00 C ATOM 431 C ASN A 30 -1.524 5.372 -4.818 1.00 0.00 C ATOM 432 O ASN A 30 -1.829 5.857 -3.728 1.00 0.00 O ATOM 433 CB ASN A 30 -2.328 7.529 -5.798 1.00 0.00 C ATOM 434 CG ASN A 30 -1.870 8.635 -6.729 1.00 0.00 C ATOM 435 OD1 ASN A 30 -0.733 9.101 -6.643 1.00 0.00 O ATOM 436 ND2 ASN A 30 -2.753 9.061 -7.623 1.00 0.00 N ATOM 0 H ASN A 30 -1.960 5.471 -8.043 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.644 6.386 -6.483 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.408 7.409 -5.884 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.120 7.816 -4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.501 9.804 -8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.684 8.646 -7.658 1.00 0.00 H new ATOM 443 N ILE A 31 -1.079 4.128 -4.960 1.00 0.00 N ATOM 444 CA ILE A 31 -0.916 3.242 -3.814 1.00 0.00 C ATOM 445 C ILE A 31 0.559 2.996 -3.514 1.00 0.00 C ATOM 446 O ILE A 31 1.374 2.850 -4.425 1.00 0.00 O ATOM 447 CB ILE A 31 -1.613 1.887 -4.048 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.115 2.092 -4.257 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.358 0.951 -2.877 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.873 0.804 -4.488 1.00 0.00 C ATOM 0 H ILE A 31 -0.825 3.711 -5.856 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.379 3.739 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.199 1.432 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.530 2.597 -3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.268 2.753 -5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.857 -0.001 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.286 0.785 -2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.748 1.398 -1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.931 1.025 -4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.485 0.308 -5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.750 0.150 -3.625 1.00 0.00 H new ATOM 462 N LYS A 32 0.895 2.950 -2.229 1.00 0.00 N ATOM 463 CA LYS A 32 2.271 2.720 -1.806 1.00 0.00 C ATOM 464 C LYS A 32 2.540 1.229 -1.618 1.00 0.00 C ATOM 465 O LYS A 32 2.306 0.678 -0.542 1.00 0.00 O ATOM 466 CB LYS A 32 2.559 3.470 -0.504 1.00 0.00 C ATOM 467 CG LYS A 32 2.634 4.977 -0.674 1.00 0.00 C ATOM 468 CD LYS A 32 1.258 5.616 -0.599 1.00 0.00 C ATOM 469 CE LYS A 32 1.231 6.966 -1.300 1.00 0.00 C ATOM 470 NZ LYS A 32 -0.121 7.587 -1.254 1.00 0.00 N ATOM 0 H LYS A 32 0.233 3.069 -1.462 1.00 0.00 H new ATOM 0 HA LYS A 32 2.932 3.095 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.781 3.233 0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.501 3.112 -0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.275 5.400 0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.094 5.213 -1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.523 4.953 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.970 5.741 0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.954 7.634 -0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.539 6.842 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.098 8.505 -1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.806 6.962 -1.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.404 7.729 -0.263 1.00 0.00 H new ATOM 484 N LEU A 33 3.033 0.585 -2.669 1.00 0.00 N ATOM 485 CA LEU A 33 3.334 -0.842 -2.619 1.00 0.00 C ATOM 486 C LEU A 33 3.826 -1.246 -1.232 1.00 0.00 C ATOM 487 O LEU A 33 3.224 -2.092 -0.571 1.00 0.00 O ATOM 488 CB LEU A 33 4.389 -1.198 -3.669 1.00 0.00 C ATOM 489 CG LEU A 33 3.855 -1.625 -5.036 1.00 0.00 C ATOM 490 CD1 LEU A 33 4.977 -2.186 -5.896 1.00 0.00 C ATOM 491 CD2 LEU A 33 2.740 -2.649 -4.878 1.00 0.00 C ATOM 0 H LEU A 33 3.233 1.027 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 33 2.416 -1.390 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.040 -0.335 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.008 -2.004 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 33 3.446 -0.746 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.578 -2.485 -6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.743 -1.423 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.416 -3.053 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.372 -2.941 -5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.123 -3.527 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.925 -2.213 -4.301 1.00 0.00 H new ATOM 503 N SER A 34 4.923 -0.633 -0.797 1.00 0.00 N ATOM 504 CA SER A 34 5.497 -0.930 0.511 1.00 0.00 C ATOM 505 C SER A 34 4.404 -1.036 1.571 1.00 0.00 C ATOM 506 O SER A 34 4.428 -1.933 2.413 1.00 0.00 O ATOM 507 CB SER A 34 6.503 0.152 0.906 1.00 0.00 C ATOM 508 OG SER A 34 7.449 -0.349 1.836 1.00 0.00 O ATOM 0 H SER A 34 5.432 0.072 -1.331 1.00 0.00 H new ATOM 0 HA SER A 34 6.012 -1.889 0.447 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.019 0.516 0.017 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.977 1.002 1.340 1.00 0.00 H new ATOM 0 HG SER A 34 8.083 0.360 2.072 1.00 0.00 H new ATOM 514 N GLU A 35 3.449 -0.114 1.523 1.00 0.00 N ATOM 515 CA GLU A 35 2.349 -0.103 2.479 1.00 0.00 C ATOM 516 C GLU A 35 1.425 -1.298 2.260 1.00 0.00 C ATOM 517 O GLU A 35 0.866 -1.847 3.209 1.00 0.00 O ATOM 518 CB GLU A 35 1.553 1.199 2.361 1.00 0.00 C ATOM 519 CG GLU A 35 2.393 2.447 2.579 1.00 0.00 C ATOM 520 CD GLU A 35 2.980 2.519 3.975 1.00 0.00 C ATOM 521 OE1 GLU A 35 2.348 1.990 4.913 1.00 0.00 O ATOM 522 OE2 GLU A 35 4.072 3.105 4.129 1.00 0.00 O ATOM 0 H GLU A 35 3.415 0.635 0.832 1.00 0.00 H new ATOM 0 HA GLU A 35 2.773 -0.172 3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.095 1.247 1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.741 1.186 3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.201 2.469 1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.778 3.330 2.401 1.00 0.00 H new ATOM 529 N VAL A 36 1.270 -1.695 1.001 1.00 0.00 N ATOM 530 CA VAL A 36 0.415 -2.824 0.655 1.00 0.00 C ATOM 531 C VAL A 36 0.912 -4.109 1.308 1.00 0.00 C ATOM 532 O VAL A 36 2.093 -4.444 1.225 1.00 0.00 O ATOM 533 CB VAL A 36 0.346 -3.029 -0.870 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.585 -4.183 -1.211 1.00 0.00 C ATOM 535 CG2 VAL A 36 -0.102 -1.750 -1.560 1.00 0.00 C ATOM 0 H VAL A 36 1.726 -1.251 0.204 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.583 -2.592 1.028 1.00 0.00 H new ATOM 0 HB VAL A 36 1.344 -3.279 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.622 -4.314 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.216 -5.098 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.586 -3.966 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.145 -1.913 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.090 -1.467 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.607 -0.951 -1.342 1.00 0.00 H new ATOM 545 N VAL A 37 0.001 -4.826 1.958 1.00 0.00 N ATOM 546 CA VAL A 37 0.345 -6.076 2.625 1.00 0.00 C ATOM 547 C VAL A 37 0.609 -7.185 1.612 1.00 0.00 C ATOM 548 O VAL A 37 -0.323 -7.758 1.047 1.00 0.00 O ATOM 549 CB VAL A 37 -0.772 -6.527 3.585 1.00 0.00 C ATOM 550 CG1 VAL A 37 -0.380 -7.814 4.294 1.00 0.00 C ATOM 551 CG2 VAL A 37 -1.086 -5.429 4.589 1.00 0.00 C ATOM 0 H VAL A 37 -0.981 -4.562 2.037 1.00 0.00 H new ATOM 0 HA VAL A 37 1.252 -5.889 3.199 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.672 -6.722 3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.181 -8.117 4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.210 -8.598 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.533 -7.650 4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.877 -5.764 5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.192 -5.200 5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.414 -4.535 4.059 1.00 0.00 H new ATOM 561 N GLY A 38 1.884 -7.483 1.387 1.00 0.00 N ATOM 562 CA GLY A 38 2.248 -8.523 0.442 1.00 0.00 C ATOM 563 C GLY A 38 1.789 -9.897 0.887 1.00 0.00 C ATOM 564 O GLY A 38 1.946 -10.265 2.051 1.00 0.00 O ATOM 0 H GLY A 38 2.672 -7.023 1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.812 -8.295 -0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.330 -8.529 0.312 1.00 0.00 H new ATOM 627 N ARG A 44 6.514 -10.802 -1.474 1.00 0.00 N ATOM 628 CA ARG A 44 6.051 -10.588 -2.839 1.00 0.00 C ATOM 629 C ARG A 44 4.602 -10.109 -2.853 1.00 0.00 C ATOM 630 O ARG A 44 3.683 -10.873 -2.556 1.00 0.00 O ATOM 631 CB ARG A 44 6.181 -11.876 -3.654 1.00 0.00 C ATOM 632 CG ARG A 44 5.546 -11.793 -5.032 1.00 0.00 C ATOM 633 CD ARG A 44 5.607 -13.129 -5.755 1.00 0.00 C ATOM 634 NE ARG A 44 6.951 -13.702 -5.736 1.00 0.00 N ATOM 635 CZ ARG A 44 7.264 -14.860 -6.305 1.00 0.00 C ATOM 636 NH1 ARG A 44 6.336 -15.565 -6.935 1.00 0.00 N ATOM 637 NH2 ARG A 44 8.510 -15.315 -6.245 1.00 0.00 N ATOM 0 HA ARG A 44 6.676 -9.817 -3.290 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.237 -12.121 -3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.721 -12.694 -3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.507 -11.477 -4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.057 -11.034 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.910 -13.825 -5.289 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.284 -12.997 -6.788 1.00 0.00 H new ATOM 0 HE ARG A 44 7.689 -13.184 -5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.378 -15.218 -6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.580 -16.454 -7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.227 -14.775 -5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.750 -16.205 -6.682 1.00 0.00 H new ATOM 651 N ILE A 45 4.406 -8.841 -3.198 1.00 0.00 N ATOM 652 CA ILE A 45 3.070 -8.262 -3.251 1.00 0.00 C ATOM 653 C ILE A 45 2.343 -8.669 -4.528 1.00 0.00 C ATOM 654 O ILE A 45 2.763 -8.321 -5.633 1.00 0.00 O ATOM 655 CB ILE A 45 3.119 -6.724 -3.170 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.970 -6.280 -1.978 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.713 -6.154 -3.067 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.662 -4.954 -2.191 1.00 0.00 C ATOM 0 H ILE A 45 5.156 -8.195 -3.445 1.00 0.00 H new ATOM 0 HA ILE A 45 2.526 -8.647 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 45 3.579 -6.342 -4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.335 -6.212 -1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.720 -7.044 -1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.764 -5.067 -3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.137 -6.445 -3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.228 -6.541 -2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.247 -4.702 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.323 -5.023 -3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.916 -4.178 -2.366 1.00 0.00 H new ATOM 670 N LEU A 46 1.251 -9.409 -4.370 1.00 0.00 N ATOM 671 CA LEU A 46 0.464 -9.864 -5.511 1.00 0.00 C ATOM 672 C LEU A 46 -0.564 -8.813 -5.916 1.00 0.00 C ATOM 673 O LEU A 46 -0.795 -7.843 -5.195 1.00 0.00 O ATOM 674 CB LEU A 46 -0.240 -11.181 -5.177 1.00 0.00 C ATOM 675 CG LEU A 46 0.579 -12.197 -4.381 1.00 0.00 C ATOM 676 CD1 LEU A 46 -0.301 -13.350 -3.923 1.00 0.00 C ATOM 677 CD2 LEU A 46 1.744 -12.712 -5.212 1.00 0.00 C ATOM 0 H LEU A 46 0.891 -9.707 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 46 1.142 -10.024 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.145 -10.953 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.554 -11.649 -6.110 1.00 0.00 H new ATOM 0 HG LEU A 46 0.980 -11.699 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.299 -14.063 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.102 -12.967 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.732 -13.847 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.316 -13.434 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.364 -13.193 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.389 -11.879 -5.490 1.00 0.00 H new ATOM 689 N LYS A 47 -1.181 -9.013 -7.077 1.00 0.00 N ATOM 690 CA LYS A 47 -2.187 -8.085 -7.579 1.00 0.00 C ATOM 691 C LYS A 47 -3.342 -7.949 -6.591 1.00 0.00 C ATOM 692 O LYS A 47 -3.816 -6.844 -6.328 1.00 0.00 O ATOM 693 CB LYS A 47 -2.716 -8.559 -8.935 1.00 0.00 C ATOM 694 CG LYS A 47 -3.930 -7.784 -9.418 1.00 0.00 C ATOM 695 CD LYS A 47 -4.266 -8.120 -10.861 1.00 0.00 C ATOM 696 CE LYS A 47 -5.378 -7.230 -11.396 1.00 0.00 C ATOM 697 NZ LYS A 47 -5.811 -7.641 -12.760 1.00 0.00 N ATOM 0 H LYS A 47 -1.001 -9.810 -7.687 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.717 -7.109 -7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.921 -8.472 -9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.974 -9.616 -8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.785 -8.011 -8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.740 -6.715 -9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.376 -8.004 -11.480 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.569 -9.165 -10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.231 -7.267 -10.718 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.035 -6.196 -11.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.570 -7.010 -13.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.004 -7.581 -13.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.162 -8.619 -12.733 1.00 0.00 H new ATOM 711 N GLU A 48 -3.787 -9.077 -6.047 1.00 0.00 N ATOM 712 CA GLU A 48 -4.885 -9.080 -5.088 1.00 0.00 C ATOM 713 C GLU A 48 -4.636 -8.071 -3.971 1.00 0.00 C ATOM 714 O GLU A 48 -5.520 -7.293 -3.615 1.00 0.00 O ATOM 715 CB GLU A 48 -5.068 -10.479 -4.494 1.00 0.00 C ATOM 716 CG GLU A 48 -5.398 -11.542 -5.530 1.00 0.00 C ATOM 717 CD GLU A 48 -6.875 -11.588 -5.869 1.00 0.00 C ATOM 718 OE1 GLU A 48 -7.697 -11.676 -4.932 1.00 0.00 O ATOM 719 OE2 GLU A 48 -7.210 -11.535 -7.070 1.00 0.00 O ATOM 0 H GLU A 48 -3.404 -10.000 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.795 -8.794 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.155 -10.765 -3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.865 -10.448 -3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.827 -11.349 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.084 -12.517 -5.157 1.00 0.00 H new ATOM 726 N ASP A 49 -3.425 -8.090 -3.424 1.00 0.00 N ATOM 727 CA ASP A 49 -3.058 -7.178 -2.348 1.00 0.00 C ATOM 728 C ASP A 49 -3.496 -5.752 -2.671 1.00 0.00 C ATOM 729 O ASP A 49 -3.966 -5.023 -1.797 1.00 0.00 O ATOM 730 CB ASP A 49 -1.548 -7.218 -2.108 1.00 0.00 C ATOM 731 CG ASP A 49 -1.059 -8.604 -1.733 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.887 -9.423 -1.282 1.00 0.00 O ATOM 733 OD2 ASP A 49 0.151 -8.868 -1.890 1.00 0.00 O ATOM 0 H ASP A 49 -2.681 -8.727 -3.709 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.571 -7.501 -1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.031 -6.884 -3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.290 -6.517 -1.314 1.00 0.00 H new ATOM 738 N ILE A 50 -3.337 -5.362 -3.932 1.00 0.00 N ATOM 739 CA ILE A 50 -3.716 -4.024 -4.370 1.00 0.00 C ATOM 740 C ILE A 50 -5.209 -3.783 -4.174 1.00 0.00 C ATOM 741 O ILE A 50 -5.618 -2.742 -3.660 1.00 0.00 O ATOM 742 CB ILE A 50 -3.360 -3.796 -5.851 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.864 -4.016 -6.079 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.767 -2.396 -6.284 1.00 0.00 C ATOM 745 CD1 ILE A 50 -0.993 -2.951 -5.448 1.00 0.00 C ATOM 0 H ILE A 50 -2.949 -5.953 -4.667 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.154 -3.320 -3.757 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.910 -4.517 -6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.583 -4.989 -5.677 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.669 -4.046 -7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.509 -2.250 -7.333 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.842 -2.273 -6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.242 -1.660 -5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.055 -3.171 -5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.247 -1.978 -5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.159 -2.936 -4.371 1.00 0.00 H new ATOM 757 N LEU A 51 -6.017 -4.754 -4.586 1.00 0.00 N ATOM 758 CA LEU A 51 -7.467 -4.649 -4.454 1.00 0.00 C ATOM 759 C LEU A 51 -7.881 -4.645 -2.986 1.00 0.00 C ATOM 760 O LEU A 51 -8.993 -4.245 -2.646 1.00 0.00 O ATOM 761 CB LEU A 51 -8.150 -5.806 -5.185 1.00 0.00 C ATOM 762 CG LEU A 51 -8.091 -5.763 -6.713 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.425 -7.126 -7.299 1.00 0.00 C ATOM 764 CD2 LEU A 51 -9.037 -4.701 -7.253 1.00 0.00 C ATOM 0 H LEU A 51 -5.694 -5.622 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.781 -3.707 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.697 -6.739 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.197 -5.833 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.076 -5.502 -7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.378 -7.076 -8.387 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.707 -7.863 -6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.430 -7.418 -6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.982 -4.684 -8.341 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.057 -4.931 -6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.751 -3.725 -6.860 1.00 0.00 H new ATOM 776 N ASN A 52 -6.977 -5.091 -2.120 1.00 0.00 N ATOM 777 CA ASN A 52 -7.247 -5.138 -0.687 1.00 0.00 C ATOM 778 C ASN A 52 -6.760 -3.865 -0.001 1.00 0.00 C ATOM 779 O ASN A 52 -7.233 -3.511 1.079 1.00 0.00 O ATOM 780 CB ASN A 52 -6.574 -6.359 -0.059 1.00 0.00 C ATOM 781 CG ASN A 52 -7.273 -7.655 -0.425 1.00 0.00 C ATOM 782 OD1 ASN A 52 -8.443 -7.855 -0.100 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.555 -8.543 -1.103 1.00 0.00 N ATOM 0 H ASN A 52 -6.051 -5.425 -2.385 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.325 -5.216 -0.548 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.535 -6.405 -0.384 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.564 -6.248 1.025 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.971 -9.434 -1.376 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.588 -8.334 -1.351 1.00 0.00 H new ATOM 790 N TYR A 53 -5.812 -3.183 -0.634 1.00 0.00 N ATOM 791 CA TYR A 53 -5.260 -1.952 -0.083 1.00 0.00 C ATOM 792 C TYR A 53 -6.197 -0.774 -0.333 1.00 0.00 C ATOM 793 O TYR A 53 -6.122 0.250 0.346 1.00 0.00 O ATOM 794 CB TYR A 53 -3.887 -1.665 -0.696 1.00 0.00 C ATOM 795 CG TYR A 53 -3.389 -0.261 -0.435 1.00 0.00 C ATOM 796 CD1 TYR A 53 -3.995 0.835 -1.035 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.311 -0.033 0.411 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.542 2.118 -0.800 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.852 1.248 0.653 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.472 2.320 0.045 1.00 0.00 C ATOM 801 OH TYR A 53 -2.017 3.597 0.283 1.00 0.00 O ATOM 0 H TYR A 53 -5.410 -3.462 -1.529 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.150 -2.083 0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.165 -2.378 -0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.937 -1.829 -1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.835 0.681 -1.697 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.823 -0.871 0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.024 2.959 -1.276 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.013 1.409 1.314 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.258 3.564 0.902 1.00 0.00 H new ATOM 811 N LEU A 54 -7.080 -0.927 -1.314 1.00 0.00 N ATOM 812 CA LEU A 54 -8.034 0.121 -1.655 1.00 0.00 C ATOM 813 C LEU A 54 -9.269 0.048 -0.763 1.00 0.00 C ATOM 814 O LEU A 54 -9.711 1.055 -0.214 1.00 0.00 O ATOM 815 CB LEU A 54 -8.445 0.006 -3.124 1.00 0.00 C ATOM 816 CG LEU A 54 -7.403 0.452 -4.150 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.765 -0.058 -5.536 1.00 0.00 C ATOM 818 CD2 LEU A 54 -7.273 1.968 -4.154 1.00 0.00 C ATOM 0 H LEU A 54 -7.155 -1.767 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.549 1.084 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.704 -1.033 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.349 0.596 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.440 0.026 -3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.012 0.270 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.805 -1.147 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.738 0.338 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.527 2.267 -4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.234 2.415 -4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.965 2.309 -3.166 1.00 0.00 H new ATOM 830 N GLU A 55 -9.818 -1.155 -0.621 1.00 0.00 N ATOM 831 CA GLU A 55 -11.001 -1.361 0.207 1.00 0.00 C ATOM 832 C GLU A 55 -10.811 -0.744 1.590 1.00 0.00 C ATOM 833 O GLU A 55 -11.769 -0.299 2.221 1.00 0.00 O ATOM 834 CB GLU A 55 -11.305 -2.854 0.339 1.00 0.00 C ATOM 835 CG GLU A 55 -10.279 -3.613 1.164 1.00 0.00 C ATOM 836 CD GLU A 55 -10.830 -4.905 1.736 1.00 0.00 C ATOM 837 OE1 GLU A 55 -10.763 -5.939 1.040 1.00 0.00 O ATOM 838 OE2 GLU A 55 -11.329 -4.881 2.881 1.00 0.00 O ATOM 0 H GLU A 55 -9.463 -2.000 -1.068 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.843 -0.868 -0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.288 -2.977 0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.357 -3.295 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.412 -3.836 0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.932 -2.978 1.979 1.00 0.00 H new