USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=4 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= -0.302 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0053) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.33) 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+ -161:sc= 0 (180deg=-0.0983) USER MOD Single : A 52 ASN : amide:sc= -0.0442 K(o=-0.044,f=-1.6!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.432 -5.966 -3.616 1.00 0.00 N ATOM 224 CA LEU A 17 9.320 -7.219 -4.354 1.00 0.00 C ATOM 225 C LEU A 17 7.894 -7.428 -4.856 1.00 0.00 C ATOM 226 O LEU A 17 6.978 -7.669 -4.070 1.00 0.00 O ATOM 227 CB LEU A 17 9.739 -8.394 -3.469 1.00 0.00 C ATOM 228 CG LEU A 17 9.883 -9.745 -4.172 1.00 0.00 C ATOM 229 CD1 LEU A 17 11.248 -9.859 -4.833 1.00 0.00 C ATOM 230 CD2 LEU A 17 9.669 -10.884 -3.186 1.00 0.00 C ATOM 0 HA LEU A 17 9.985 -7.166 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.691 -8.148 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.007 -8.500 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 17 9.120 -9.814 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.333 -10.826 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.364 -9.063 -5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.027 -9.769 -4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.775 -11.838 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.410 -10.819 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.669 -10.812 -2.759 1.00 0.00 H new ATOM 242 N ALA A 18 7.716 -7.338 -6.170 1.00 0.00 N ATOM 243 CA ALA A 18 6.403 -7.522 -6.777 1.00 0.00 C ATOM 244 C ALA A 18 6.493 -7.489 -8.299 1.00 0.00 C ATOM 245 O ALA A 18 7.350 -6.811 -8.866 1.00 0.00 O ATOM 246 CB ALA A 18 5.438 -6.456 -6.279 1.00 0.00 C ATOM 0 H ALA A 18 8.464 -7.139 -6.834 1.00 0.00 H new ATOM 0 HA ALA A 18 6.027 -8.502 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.462 -6.605 -6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.343 -6.529 -5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.818 -5.469 -6.544 1.00 0.00 H new ATOM 252 N THR A 19 5.602 -8.226 -8.955 1.00 0.00 N ATOM 253 CA THR A 19 5.582 -8.282 -10.411 1.00 0.00 C ATOM 254 C THR A 19 5.495 -6.886 -11.015 1.00 0.00 C ATOM 255 O THR A 19 5.102 -5.922 -10.356 1.00 0.00 O ATOM 256 CB THR A 19 4.399 -9.126 -10.924 1.00 0.00 C ATOM 257 OG1 THR A 19 3.305 -9.046 -10.004 1.00 0.00 O ATOM 258 CG2 THR A 19 4.810 -10.579 -11.107 1.00 0.00 C ATOM 0 H THR A 19 4.885 -8.792 -8.501 1.00 0.00 H new ATOM 0 HA THR A 19 6.516 -8.751 -10.722 1.00 0.00 H new ATOM 0 HB THR A 19 4.090 -8.728 -11.891 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.557 -9.584 -10.338 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.959 -11.155 -11.470 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.623 -10.639 -11.830 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.143 -10.986 -10.152 1.00 0.00 H new ATOM 266 N PRO A 20 5.868 -6.769 -12.298 1.00 0.00 N ATOM 267 CA PRO A 20 5.840 -5.493 -13.019 1.00 0.00 C ATOM 268 C PRO A 20 4.417 -5.010 -13.287 1.00 0.00 C ATOM 269 O PRO A 20 4.113 -3.829 -13.129 1.00 0.00 O ATOM 270 CB PRO A 20 6.553 -5.813 -14.334 1.00 0.00 C ATOM 271 CG PRO A 20 6.360 -7.278 -14.524 1.00 0.00 C ATOM 272 CD PRO A 20 6.348 -7.875 -13.144 1.00 0.00 C ATOM 0 HA PRO A 20 6.309 -4.692 -12.448 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.127 -5.247 -15.163 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.611 -5.557 -14.283 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.426 -7.484 -15.047 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.163 -7.703 -15.126 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.688 -8.741 -13.086 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.340 -8.210 -12.842 1.00 0.00 H new ATOM 280 N ALA A 21 3.551 -5.934 -13.692 1.00 0.00 N ATOM 281 CA ALA A 21 2.162 -5.603 -13.980 1.00 0.00 C ATOM 282 C ALA A 21 1.453 -5.080 -12.735 1.00 0.00 C ATOM 283 O ALA A 21 0.564 -4.232 -12.825 1.00 0.00 O ATOM 284 CB ALA A 21 1.433 -6.819 -14.532 1.00 0.00 C ATOM 0 H ALA A 21 3.788 -6.917 -13.828 1.00 0.00 H new ATOM 0 HA ALA A 21 2.151 -4.814 -14.732 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.396 -6.557 -14.743 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.918 -7.148 -15.451 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.462 -7.625 -13.798 1.00 0.00 H new ATOM 290 N VAL A 22 1.851 -5.591 -11.574 1.00 0.00 N ATOM 291 CA VAL A 22 1.254 -5.174 -10.311 1.00 0.00 C ATOM 292 C VAL A 22 1.842 -3.852 -9.834 1.00 0.00 C ATOM 293 O VAL A 22 1.134 -3.007 -9.286 1.00 0.00 O ATOM 294 CB VAL A 22 1.458 -6.239 -9.216 1.00 0.00 C ATOM 295 CG1 VAL A 22 0.931 -5.739 -7.880 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.785 -7.544 -9.610 1.00 0.00 C ATOM 0 H VAL A 22 2.584 -6.294 -11.482 1.00 0.00 H new ATOM 0 HA VAL A 22 0.187 -5.048 -10.492 1.00 0.00 H new ATOM 0 HB VAL A 22 2.527 -6.426 -9.110 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.084 -6.504 -7.119 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.464 -4.832 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.133 -5.521 -7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.939 -8.284 -8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.283 -7.376 -9.745 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.216 -7.909 -10.543 1.00 0.00 H new ATOM 306 N ARG A 23 3.142 -3.677 -10.048 1.00 0.00 N ATOM 307 CA ARG A 23 3.827 -2.456 -9.640 1.00 0.00 C ATOM 308 C ARG A 23 3.159 -1.228 -10.251 1.00 0.00 C ATOM 309 O ARG A 23 3.272 -0.121 -9.725 1.00 0.00 O ATOM 310 CB ARG A 23 5.299 -2.509 -10.053 1.00 0.00 C ATOM 311 CG ARG A 23 6.165 -3.333 -9.115 1.00 0.00 C ATOM 312 CD ARG A 23 7.548 -3.573 -9.702 1.00 0.00 C ATOM 313 NE ARG A 23 8.439 -4.233 -8.751 1.00 0.00 N ATOM 314 CZ ARG A 23 9.702 -4.543 -9.020 1.00 0.00 C ATOM 315 NH1 ARG A 23 10.221 -4.252 -10.205 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.449 -5.143 -8.103 1.00 0.00 N ATOM 0 H ARG A 23 3.742 -4.366 -10.502 1.00 0.00 H new ATOM 0 HA ARG A 23 3.765 -2.379 -8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.371 -2.924 -11.058 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.692 -1.493 -10.098 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.259 -2.819 -8.158 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.681 -4.290 -8.917 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.460 -4.184 -10.600 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.983 -2.621 -10.006 1.00 0.00 H new ATOM 0 HE ARG A 23 8.071 -4.469 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.650 -3.789 -10.912 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.191 -4.491 -10.409 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.054 -5.367 -7.190 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.419 -5.381 -8.311 1.00 0.00 H new ATOM 330 N ARG A 24 2.464 -1.432 -11.366 1.00 0.00 N ATOM 331 CA ARG A 24 1.781 -0.342 -12.051 1.00 0.00 C ATOM 332 C ARG A 24 0.360 -0.172 -11.519 1.00 0.00 C ATOM 333 O ARG A 24 -0.251 0.886 -11.677 1.00 0.00 O ATOM 334 CB ARG A 24 1.744 -0.600 -13.558 1.00 0.00 C ATOM 335 CG ARG A 24 0.587 0.085 -14.266 1.00 0.00 C ATOM 336 CD ARG A 24 0.777 0.082 -15.775 1.00 0.00 C ATOM 337 NE ARG A 24 -0.458 0.409 -16.482 1.00 0.00 N ATOM 338 CZ ARG A 24 -0.616 0.260 -17.793 1.00 0.00 C ATOM 339 NH1 ARG A 24 0.379 -0.207 -18.534 1.00 0.00 N ATOM 340 NH2 ARG A 24 -1.770 0.580 -18.365 1.00 0.00 N ATOM 0 H ARG A 24 2.360 -2.343 -11.814 1.00 0.00 H new ATOM 0 HA ARG A 24 2.336 0.577 -11.861 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.681 -0.260 -13.999 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.681 -1.674 -13.733 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.345 -0.420 -14.015 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.499 1.112 -13.911 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.550 0.801 -16.045 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.129 -0.899 -16.094 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.242 0.772 -15.940 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.268 -0.453 -18.098 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.256 -0.321 -19.540 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.537 0.941 -17.798 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.890 0.465 -19.371 1.00 0.00 H new ATOM 354 N LEU A 25 -0.159 -1.220 -10.889 1.00 0.00 N ATOM 355 CA LEU A 25 -1.508 -1.188 -10.334 1.00 0.00 C ATOM 356 C LEU A 25 -1.612 -0.156 -9.216 1.00 0.00 C ATOM 357 O LEU A 25 -2.701 0.319 -8.895 1.00 0.00 O ATOM 358 CB LEU A 25 -1.897 -2.570 -9.807 1.00 0.00 C ATOM 359 CG LEU A 25 -3.396 -2.847 -9.692 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.077 -2.666 -11.040 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.640 -4.250 -9.153 1.00 0.00 C ATOM 0 H LEU A 25 0.333 -2.102 -10.750 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.196 -0.904 -11.130 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.458 -3.323 -10.461 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.447 -2.701 -8.823 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.826 -2.131 -8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.143 -2.867 -10.939 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.932 -1.643 -11.386 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.644 -3.358 -11.762 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.712 -4.429 -9.078 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.196 -4.981 -9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.186 -4.345 -8.166 1.00 0.00 H new ATOM 373 N ALA A 26 -0.471 0.187 -8.626 1.00 0.00 N ATOM 374 CA ALA A 26 -0.434 1.166 -7.546 1.00 0.00 C ATOM 375 C ALA A 26 -0.211 2.573 -8.089 1.00 0.00 C ATOM 376 O ALA A 26 -0.899 3.515 -7.698 1.00 0.00 O ATOM 377 CB ALA A 26 0.654 0.805 -6.545 1.00 0.00 C ATOM 0 H ALA A 26 0.439 -0.198 -8.878 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.399 1.149 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.671 1.544 -5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.450 -0.180 -6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.621 0.792 -7.048 1.00 0.00 H new ATOM 383 N MET A 27 0.757 2.709 -8.990 1.00 0.00 N ATOM 384 CA MET A 27 1.070 4.002 -9.585 1.00 0.00 C ATOM 385 C MET A 27 -0.166 4.614 -10.236 1.00 0.00 C ATOM 386 O MET A 27 -0.250 5.831 -10.405 1.00 0.00 O ATOM 387 CB MET A 27 2.185 3.854 -10.623 1.00 0.00 C ATOM 388 CG MET A 27 1.676 3.552 -12.023 1.00 0.00 C ATOM 389 SD MET A 27 3.011 3.369 -13.222 1.00 0.00 S ATOM 390 CE MET A 27 2.741 4.808 -14.252 1.00 0.00 C ATOM 0 H MET A 27 1.338 1.939 -9.323 1.00 0.00 H new ATOM 0 HA MET A 27 1.408 4.667 -8.790 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.771 4.773 -10.649 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.858 3.056 -10.310 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.084 2.637 -12.001 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.011 4.354 -12.345 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.490 4.835 -15.043 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.747 4.756 -14.696 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.821 5.710 -13.645 1.00 0.00 H new ATOM 400 N GLU A 28 -1.122 3.764 -10.597 1.00 0.00 N ATOM 401 CA GLU A 28 -2.353 4.225 -11.230 1.00 0.00 C ATOM 402 C GLU A 28 -3.393 4.608 -10.180 1.00 0.00 C ATOM 403 O GLU A 28 -4.227 5.483 -10.409 1.00 0.00 O ATOM 404 CB GLU A 28 -2.916 3.139 -12.149 1.00 0.00 C ATOM 405 CG GLU A 28 -2.018 2.817 -13.332 1.00 0.00 C ATOM 406 CD GLU A 28 -2.241 3.753 -14.504 1.00 0.00 C ATOM 407 OE1 GLU A 28 -2.499 4.952 -14.267 1.00 0.00 O ATOM 408 OE2 GLU A 28 -2.157 3.286 -15.660 1.00 0.00 O ATOM 0 H GLU A 28 -1.068 2.754 -10.462 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.119 5.108 -11.824 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.077 2.231 -11.568 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.890 3.457 -12.519 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.976 2.875 -13.019 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.198 1.791 -13.652 1.00 0.00 H new ATOM 415 N ASN A 29 -3.337 3.945 -9.030 1.00 0.00 N ATOM 416 CA ASN A 29 -4.274 4.216 -7.946 1.00 0.00 C ATOM 417 C ASN A 29 -3.588 4.966 -6.808 1.00 0.00 C ATOM 418 O ASN A 29 -4.106 5.033 -5.694 1.00 0.00 O ATOM 419 CB ASN A 29 -4.871 2.908 -7.422 1.00 0.00 C ATOM 420 CG ASN A 29 -5.804 2.256 -8.424 1.00 0.00 C ATOM 421 OD1 ASN A 29 -6.931 2.707 -8.625 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.336 1.187 -9.059 1.00 0.00 N ATOM 0 H ASN A 29 -2.653 3.217 -8.825 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.075 4.842 -8.339 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.065 2.216 -7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.415 3.104 -6.498 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.918 0.706 -9.745 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.395 0.848 -8.861 1.00 0.00 H new ATOM 429 N ASN A 30 -2.421 5.531 -7.098 1.00 0.00 N ATOM 430 CA ASN A 30 -1.663 6.277 -6.099 1.00 0.00 C ATOM 431 C ASN A 30 -1.534 5.479 -4.806 1.00 0.00 C ATOM 432 O ASN A 30 -1.807 5.990 -3.720 1.00 0.00 O ATOM 433 CB ASN A 30 -2.338 7.621 -5.818 1.00 0.00 C ATOM 434 CG ASN A 30 -1.953 8.684 -6.829 1.00 0.00 C ATOM 435 OD1 ASN A 30 -1.941 8.434 -8.035 1.00 0.00 O ATOM 436 ND2 ASN A 30 -1.638 9.878 -6.341 1.00 0.00 N ATOM 0 H ASN A 30 -1.979 5.487 -8.016 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.663 6.455 -6.495 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.420 7.490 -5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.066 7.959 -4.818 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.372 10.633 -6.973 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.662 10.040 -5.334 1.00 0.00 H new ATOM 443 N ILE A 31 -1.117 4.224 -4.931 1.00 0.00 N ATOM 444 CA ILE A 31 -0.950 3.355 -3.772 1.00 0.00 C ATOM 445 C ILE A 31 0.523 3.192 -3.414 1.00 0.00 C ATOM 446 O ILE A 31 1.385 3.142 -4.292 1.00 0.00 O ATOM 447 CB ILE A 31 -1.564 1.964 -4.018 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.086 2.070 -4.149 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.189 1.013 -2.891 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.759 0.748 -4.442 1.00 0.00 C ATOM 0 H ILE A 31 -0.888 3.786 -5.823 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.472 3.832 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.165 1.566 -4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.495 2.480 -3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.326 2.775 -4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.630 0.034 -3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.104 0.918 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.564 1.404 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.836 0.898 -4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.378 0.346 -5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.549 0.046 -3.635 1.00 0.00 H new ATOM 462 N LYS A 32 0.805 3.109 -2.118 1.00 0.00 N ATOM 463 CA LYS A 32 2.173 2.949 -1.642 1.00 0.00 C ATOM 464 C LYS A 32 2.533 1.472 -1.506 1.00 0.00 C ATOM 465 O LYS A 32 2.222 0.838 -0.497 1.00 0.00 O ATOM 466 CB LYS A 32 2.353 3.654 -0.297 1.00 0.00 C ATOM 467 CG LYS A 32 2.391 5.169 -0.404 1.00 0.00 C ATOM 468 CD LYS A 32 0.996 5.768 -0.339 1.00 0.00 C ATOM 469 CE LYS A 32 0.953 7.152 -0.968 1.00 0.00 C ATOM 470 NZ LYS A 32 -0.177 7.965 -0.442 1.00 0.00 N ATOM 0 H LYS A 32 0.104 3.150 -1.379 1.00 0.00 H new ATOM 0 HA LYS A 32 2.841 3.402 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.538 3.365 0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.278 3.307 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.001 5.576 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.868 5.457 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.293 5.112 -0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.674 5.830 0.700 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.893 7.668 -0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.859 7.057 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.172 8.901 -0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.076 7.485 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.074 8.078 0.587 1.00 0.00 H new ATOM 484 N LEU A 33 3.189 0.931 -2.527 1.00 0.00 N ATOM 485 CA LEU A 33 3.592 -0.471 -2.519 1.00 0.00 C ATOM 486 C LEU A 33 4.009 -0.911 -1.120 1.00 0.00 C ATOM 487 O LEU A 33 3.448 -1.855 -0.562 1.00 0.00 O ATOM 488 CB LEU A 33 4.744 -0.696 -3.502 1.00 0.00 C ATOM 489 CG LEU A 33 4.345 -1.089 -4.925 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.580 -1.372 -5.766 1.00 0.00 C ATOM 491 CD2 LEU A 33 3.422 -2.298 -4.906 1.00 0.00 C ATOM 0 H LEU A 33 3.453 1.441 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 33 2.736 -1.071 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.337 0.217 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.392 -1.475 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 33 3.807 -0.254 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.277 -1.650 -6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.204 -0.479 -5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.145 -2.190 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.149 -2.563 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.933 -3.139 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.522 -2.060 -4.340 1.00 0.00 H new ATOM 503 N SER A 34 4.996 -0.220 -0.557 1.00 0.00 N ATOM 504 CA SER A 34 5.488 -0.541 0.777 1.00 0.00 C ATOM 505 C SER A 34 4.337 -0.634 1.774 1.00 0.00 C ATOM 506 O SER A 34 4.348 -1.473 2.674 1.00 0.00 O ATOM 507 CB SER A 34 6.494 0.516 1.240 1.00 0.00 C ATOM 508 OG SER A 34 7.351 0.000 2.243 1.00 0.00 O ATOM 0 H SER A 34 5.470 0.565 -1.004 1.00 0.00 H new ATOM 0 HA SER A 34 5.984 -1.510 0.730 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.087 0.855 0.390 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.961 1.386 1.625 1.00 0.00 H new ATOM 0 HG SER A 34 7.985 0.694 2.520 1.00 0.00 H new ATOM 514 N GLU A 35 3.345 0.234 1.606 1.00 0.00 N ATOM 515 CA GLU A 35 2.186 0.251 2.492 1.00 0.00 C ATOM 516 C GLU A 35 1.270 -0.936 2.210 1.00 0.00 C ATOM 517 O GLU A 35 0.499 -1.359 3.072 1.00 0.00 O ATOM 518 CB GLU A 35 1.410 1.559 2.327 1.00 0.00 C ATOM 519 CG GLU A 35 2.209 2.793 2.710 1.00 0.00 C ATOM 520 CD GLU A 35 2.639 2.782 4.164 1.00 0.00 C ATOM 521 OE1 GLU A 35 1.957 2.127 4.980 1.00 0.00 O ATOM 522 OE2 GLU A 35 3.658 3.429 4.485 1.00 0.00 O ATOM 0 H GLU A 35 3.320 0.935 0.865 1.00 0.00 H new ATOM 0 HA GLU A 35 2.543 0.176 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.088 1.652 1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.508 1.516 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.092 2.861 2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.609 3.683 2.519 1.00 0.00 H new ATOM 529 N VAL A 36 1.360 -1.471 0.996 1.00 0.00 N ATOM 530 CA VAL A 36 0.540 -2.610 0.600 1.00 0.00 C ATOM 531 C VAL A 36 1.027 -3.894 1.261 1.00 0.00 C ATOM 532 O VAL A 36 2.180 -4.294 1.092 1.00 0.00 O ATOM 533 CB VAL A 36 0.543 -2.798 -0.928 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.367 -3.951 -1.326 1.00 0.00 C ATOM 535 CG2 VAL A 36 0.123 -1.513 -1.624 1.00 0.00 C ATOM 0 H VAL A 36 1.992 -1.134 0.270 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.477 -2.399 0.931 1.00 0.00 H new ATOM 0 HB VAL A 36 1.557 -3.041 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.352 -4.069 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.017 -4.870 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.385 -3.741 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.131 -1.665 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.882 -1.237 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.818 -0.715 -1.365 1.00 0.00 H new ATOM 545 N VAL A 37 0.142 -4.539 2.015 1.00 0.00 N ATOM 546 CA VAL A 37 0.481 -5.779 2.700 1.00 0.00 C ATOM 547 C VAL A 37 0.635 -6.930 1.711 1.00 0.00 C ATOM 548 O VAL A 37 -0.350 -7.522 1.274 1.00 0.00 O ATOM 549 CB VAL A 37 -0.587 -6.154 3.745 1.00 0.00 C ATOM 550 CG1 VAL A 37 -0.220 -7.456 4.441 1.00 0.00 C ATOM 551 CG2 VAL A 37 -0.761 -5.030 4.755 1.00 0.00 C ATOM 0 H VAL A 37 -0.816 -4.222 2.166 1.00 0.00 H new ATOM 0 HA VAL A 37 1.431 -5.610 3.207 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.537 -6.301 3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.986 -7.704 5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.151 -8.256 3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.741 -7.342 4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.519 -5.312 5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.185 -4.849 5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.074 -4.122 4.239 1.00 0.00 H new ATOM 561 N GLY A 38 1.879 -7.242 1.363 1.00 0.00 N ATOM 562 CA GLY A 38 2.140 -8.321 0.428 1.00 0.00 C ATOM 563 C GLY A 38 1.598 -9.651 0.912 1.00 0.00 C ATOM 564 O GLY A 38 1.198 -9.782 2.069 1.00 0.00 O ATOM 0 H GLY A 38 2.711 -6.767 1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.692 -8.079 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.215 -8.407 0.268 1.00 0.00 H new ATOM 627 N ARG A 44 6.385 -10.837 -1.472 1.00 0.00 N ATOM 628 CA ARG A 44 6.043 -10.447 -2.835 1.00 0.00 C ATOM 629 C ARG A 44 4.595 -9.974 -2.917 1.00 0.00 C ATOM 630 O ARG A 44 3.664 -10.769 -2.783 1.00 0.00 O ATOM 631 CB ARG A 44 6.264 -11.617 -3.794 1.00 0.00 C ATOM 632 CG ARG A 44 5.903 -11.300 -5.236 1.00 0.00 C ATOM 633 CD ARG A 44 6.137 -12.496 -6.145 1.00 0.00 C ATOM 634 NE ARG A 44 5.078 -13.495 -6.018 1.00 0.00 N ATOM 635 CZ ARG A 44 5.150 -14.712 -6.545 1.00 0.00 C ATOM 636 NH1 ARG A 44 6.223 -15.079 -7.231 1.00 0.00 N ATOM 637 NH2 ARG A 44 4.146 -15.565 -6.386 1.00 0.00 N ATOM 0 HA ARG A 44 6.694 -9.622 -3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.310 -11.920 -3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.671 -12.468 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.857 -10.998 -5.292 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.498 -10.455 -5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.195 -12.159 -7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.097 -12.952 -5.904 1.00 0.00 H new ATOM 0 HE ARG A 44 4.238 -13.244 -5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.997 -14.426 -7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.275 -16.014 -7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.318 -15.286 -5.859 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.202 -16.500 -6.791 1.00 0.00 H new ATOM 651 N ILE A 45 4.413 -8.676 -3.138 1.00 0.00 N ATOM 652 CA ILE A 45 3.079 -8.099 -3.239 1.00 0.00 C ATOM 653 C ILE A 45 2.387 -8.535 -4.524 1.00 0.00 C ATOM 654 O ILE A 45 2.762 -8.114 -5.619 1.00 0.00 O ATOM 655 CB ILE A 45 3.125 -6.560 -3.191 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.930 -6.090 -1.977 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.717 -5.988 -3.154 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.609 -4.755 -2.183 1.00 0.00 C ATOM 0 H ILE A 45 5.173 -8.005 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 45 2.513 -8.464 -2.382 1.00 0.00 H new ATOM 0 HB ILE A 45 3.618 -6.198 -4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.266 -6.022 -1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.685 -6.840 -1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.767 -4.900 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.174 -6.299 -4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.198 -6.355 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.161 -4.485 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.299 -4.823 -3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.858 -3.993 -2.391 1.00 0.00 H new ATOM 670 N LEU A 46 1.371 -9.382 -4.386 1.00 0.00 N ATOM 671 CA LEU A 46 0.624 -9.875 -5.538 1.00 0.00 C ATOM 672 C LEU A 46 -0.421 -8.857 -5.985 1.00 0.00 C ATOM 673 O LEU A 46 -0.589 -7.809 -5.363 1.00 0.00 O ATOM 674 CB LEU A 46 -0.056 -11.204 -5.198 1.00 0.00 C ATOM 675 CG LEU A 46 0.823 -12.251 -4.513 1.00 0.00 C ATOM 676 CD1 LEU A 46 0.008 -13.488 -4.168 1.00 0.00 C ATOM 677 CD2 LEU A 46 2.005 -12.618 -5.399 1.00 0.00 C ATOM 0 H LEU A 46 1.046 -9.741 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 46 1.327 -10.031 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.910 -10.998 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.449 -11.635 -6.119 1.00 0.00 H new ATOM 0 HG LEU A 46 1.208 -11.825 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.650 -14.222 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.804 -13.213 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.407 -13.917 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.619 -13.364 -4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.640 -13.025 -6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.603 -11.728 -5.595 1.00 0.00 H new ATOM 689 N LYS A 47 -1.121 -9.174 -7.069 1.00 0.00 N ATOM 690 CA LYS A 47 -2.152 -8.290 -7.600 1.00 0.00 C ATOM 691 C LYS A 47 -3.297 -8.129 -6.605 1.00 0.00 C ATOM 692 O LYS A 47 -3.841 -7.038 -6.441 1.00 0.00 O ATOM 693 CB LYS A 47 -2.687 -8.835 -8.926 1.00 0.00 C ATOM 694 CG LYS A 47 -3.845 -8.031 -9.491 1.00 0.00 C ATOM 695 CD LYS A 47 -4.176 -8.453 -10.912 1.00 0.00 C ATOM 696 CE LYS A 47 -5.178 -7.507 -11.556 1.00 0.00 C ATOM 697 NZ LYS A 47 -4.505 -6.367 -12.238 1.00 0.00 N ATOM 0 H LYS A 47 -0.993 -10.037 -7.597 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.703 -7.312 -7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.877 -8.852 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.008 -9.867 -8.782 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.723 -8.161 -8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.595 -6.970 -9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.263 -8.478 -11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.581 -9.465 -10.907 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.784 -8.056 -12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.858 -7.125 -10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.188 -5.595 -12.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.716 -6.028 -11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.141 -6.680 -13.160 1.00 0.00 H new ATOM 711 N GLU A 48 -3.656 -9.225 -5.942 1.00 0.00 N ATOM 712 CA GLU A 48 -4.737 -9.204 -4.963 1.00 0.00 C ATOM 713 C GLU A 48 -4.452 -8.189 -3.860 1.00 0.00 C ATOM 714 O GLU A 48 -5.316 -7.389 -3.500 1.00 0.00 O ATOM 715 CB GLU A 48 -4.930 -10.594 -4.354 1.00 0.00 C ATOM 716 CG GLU A 48 -5.251 -11.669 -5.379 1.00 0.00 C ATOM 717 CD GLU A 48 -6.714 -11.672 -5.781 1.00 0.00 C ATOM 718 OE1 GLU A 48 -7.325 -10.583 -5.802 1.00 0.00 O ATOM 719 OE2 GLU A 48 -7.246 -12.763 -6.074 1.00 0.00 O ATOM 0 H GLU A 48 -3.215 -10.136 -6.065 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.652 -8.910 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.024 -10.875 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.735 -10.551 -3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.635 -11.517 -6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.988 -12.645 -4.971 1.00 0.00 H new ATOM 726 N ASP A 49 -3.235 -8.228 -3.328 1.00 0.00 N ATOM 727 CA ASP A 49 -2.834 -7.311 -2.267 1.00 0.00 C ATOM 728 C ASP A 49 -3.316 -5.894 -2.562 1.00 0.00 C ATOM 729 O ASP A 49 -3.844 -5.211 -1.684 1.00 0.00 O ATOM 730 CB ASP A 49 -1.314 -7.323 -2.100 1.00 0.00 C ATOM 731 CG ASP A 49 -0.804 -8.634 -1.537 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.505 -9.231 -0.691 1.00 0.00 O ATOM 733 OD2 ASP A 49 0.296 -9.065 -1.940 1.00 0.00 O ATOM 0 H ASP A 49 -2.509 -8.885 -3.614 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.295 -7.646 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.844 -7.138 -3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.017 -6.508 -1.440 1.00 0.00 H new ATOM 738 N ILE A 50 -3.128 -5.458 -3.804 1.00 0.00 N ATOM 739 CA ILE A 50 -3.543 -4.122 -4.214 1.00 0.00 C ATOM 740 C ILE A 50 -5.042 -3.928 -4.018 1.00 0.00 C ATOM 741 O ILE A 50 -5.477 -2.966 -3.382 1.00 0.00 O ATOM 742 CB ILE A 50 -3.190 -3.852 -5.689 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.681 -3.976 -5.906 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.678 -2.473 -6.106 1.00 0.00 C ATOM 745 CD1 ILE A 50 -0.904 -2.756 -5.464 1.00 0.00 C ATOM 0 H ILE A 50 -2.692 -6.010 -4.542 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.003 -3.416 -3.584 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.690 -4.596 -6.309 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.314 -4.847 -5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.488 -4.156 -6.964 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.421 -2.297 -7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.760 -2.418 -5.984 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.203 -1.715 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.159 -2.915 -5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.243 -1.886 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.067 -2.587 -4.400 1.00 0.00 H new ATOM 757 N LEU A 51 -5.830 -4.847 -4.567 1.00 0.00 N ATOM 758 CA LEU A 51 -7.282 -4.778 -4.451 1.00 0.00 C ATOM 759 C LEU A 51 -7.712 -4.789 -2.988 1.00 0.00 C ATOM 760 O LEU A 51 -8.850 -4.450 -2.662 1.00 0.00 O ATOM 761 CB LEU A 51 -7.929 -5.949 -5.193 1.00 0.00 C ATOM 762 CG LEU A 51 -7.902 -5.872 -6.720 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.295 -7.209 -7.329 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.825 -4.767 -7.215 1.00 0.00 C ATOM 0 H LEU A 51 -5.487 -5.648 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.614 -3.843 -4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.430 -6.868 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.967 -6.028 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.885 -5.637 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.270 -7.135 -8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.595 -7.978 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.302 -7.474 -7.006 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.793 -4.727 -8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.845 -4.972 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.499 -3.810 -6.807 1.00 0.00 H new ATOM 776 N ASN A 52 -6.795 -5.179 -2.109 1.00 0.00 N ATOM 777 CA ASN A 52 -7.080 -5.233 -0.680 1.00 0.00 C ATOM 778 C ASN A 52 -6.590 -3.969 0.020 1.00 0.00 C ATOM 779 O ASN A 52 -6.950 -3.703 1.168 1.00 0.00 O ATOM 780 CB ASN A 52 -6.421 -6.463 -0.053 1.00 0.00 C ATOM 781 CG ASN A 52 -7.175 -7.743 -0.362 1.00 0.00 C ATOM 782 OD1 ASN A 52 -8.382 -7.722 -0.600 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.463 -8.864 -0.359 1.00 0.00 N ATOM 0 H ASN A 52 -5.848 -5.462 -2.361 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.160 -5.303 -0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.398 -6.550 -0.419 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.363 -6.330 1.027 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.915 -9.756 -0.560 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.464 -8.833 -0.156 1.00 0.00 H new ATOM 790 N TYR A 53 -5.768 -3.194 -0.678 1.00 0.00 N ATOM 791 CA TYR A 53 -5.227 -1.958 -0.124 1.00 0.00 C ATOM 792 C TYR A 53 -6.192 -0.796 -0.337 1.00 0.00 C ATOM 793 O TYR A 53 -6.227 0.150 0.450 1.00 0.00 O ATOM 794 CB TYR A 53 -3.875 -1.636 -0.763 1.00 0.00 C ATOM 795 CG TYR A 53 -3.364 -0.252 -0.435 1.00 0.00 C ATOM 796 CD1 TYR A 53 -3.953 0.877 -0.993 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.293 -0.071 0.431 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.489 2.144 -0.696 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.823 1.192 0.733 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.424 2.296 0.167 1.00 0.00 C ATOM 801 OH TYR A 53 -1.960 3.557 0.466 1.00 0.00 O ATOM 0 H TYR A 53 -5.461 -3.400 -1.629 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.090 -2.101 0.948 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.142 -2.372 -0.433 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.961 -1.735 -1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.787 0.762 -1.670 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.819 -0.934 0.876 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.958 3.011 -1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.989 1.314 1.409 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.207 3.489 1.089 1.00 0.00 H new ATOM 811 N LEU A 54 -6.976 -0.876 -1.408 1.00 0.00 N ATOM 812 CA LEU A 54 -7.944 0.168 -1.726 1.00 0.00 C ATOM 813 C LEU A 54 -9.193 0.033 -0.861 1.00 0.00 C ATOM 814 O LEU A 54 -9.702 1.022 -0.333 1.00 0.00 O ATOM 815 CB LEU A 54 -8.325 0.103 -3.206 1.00 0.00 C ATOM 816 CG LEU A 54 -7.241 0.527 -4.197 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.477 -0.116 -5.555 1.00 0.00 C ATOM 818 CD2 LEU A 54 -7.198 2.044 -4.323 1.00 0.00 C ATOM 0 H LEU A 54 -6.960 -1.652 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.483 1.133 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.623 -0.919 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.200 0.734 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.277 0.186 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.695 0.198 -6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.457 -1.201 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.448 0.194 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.421 2.328 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.163 2.407 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.980 2.484 -3.350 1.00 0.00 H new ATOM 830 N GLU A 55 -9.681 -1.194 -0.721 1.00 0.00 N ATOM 831 CA GLU A 55 -10.870 -1.457 0.081 1.00 0.00 C ATOM 832 C GLU A 55 -10.755 -0.803 1.455 1.00 0.00 C ATOM 833 O GLU A 55 -11.755 -0.400 2.049 1.00 0.00 O ATOM 834 CB GLU A 55 -11.085 -2.963 0.238 1.00 0.00 C ATOM 835 CG GLU A 55 -10.048 -3.638 1.121 1.00 0.00 C ATOM 836 CD GLU A 55 -10.449 -5.044 1.524 1.00 0.00 C ATOM 837 OE1 GLU A 55 -11.042 -5.754 0.685 1.00 0.00 O ATOM 838 OE2 GLU A 55 -10.168 -5.433 2.676 1.00 0.00 O ATOM 0 H GLU A 55 -9.272 -2.023 -1.152 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.728 -1.027 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.076 -3.138 0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.069 -3.428 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.095 -3.674 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.894 -3.037 2.017 1.00 0.00 H new