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 -170:sc= -0.527 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0054) USER MOD Single : A 30 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.3) 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+ -175:sc= 0 (180deg=-0.0101) USER MOD Single : A 52 ASN : amide:sc= -0.0373 K(o=-0.037,f=-1.4!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.321 -6.049 -3.811 1.00 0.00 N ATOM 224 CA LEU A 17 9.204 -7.368 -4.422 1.00 0.00 C ATOM 225 C LEU A 17 7.782 -7.614 -4.918 1.00 0.00 C ATOM 226 O LEU A 17 6.881 -7.900 -4.131 1.00 0.00 O ATOM 227 CB LEU A 17 9.601 -8.453 -3.421 1.00 0.00 C ATOM 228 CG LEU A 17 9.586 -9.890 -3.946 1.00 0.00 C ATOM 229 CD1 LEU A 17 10.640 -10.074 -5.026 1.00 0.00 C ATOM 230 CD2 LEU A 17 9.808 -10.876 -2.807 1.00 0.00 C ATOM 0 HA LEU A 17 9.880 -7.406 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.604 -8.232 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.929 -8.393 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 17 8.608 -10.087 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.615 -11.102 -5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.437 -9.393 -5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.626 -9.859 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.794 -11.893 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.773 -10.680 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.016 -10.761 -2.067 1.00 0.00 H new ATOM 242 N ALA A 18 7.590 -7.502 -6.229 1.00 0.00 N ATOM 243 CA ALA A 18 6.280 -7.716 -6.829 1.00 0.00 C ATOM 244 C ALA A 18 6.356 -7.648 -8.351 1.00 0.00 C ATOM 245 O ALA A 18 7.197 -6.944 -8.911 1.00 0.00 O ATOM 246 CB ALA A 18 5.284 -6.694 -6.303 1.00 0.00 C ATOM 0 H ALA A 18 8.325 -7.264 -6.895 1.00 0.00 H new ATOM 0 HA ALA A 18 5.940 -8.714 -6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.310 -6.867 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.199 -6.792 -5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.628 -5.690 -6.550 1.00 0.00 H new ATOM 252 N THR A 19 5.474 -8.386 -9.017 1.00 0.00 N ATOM 253 CA THR A 19 5.442 -8.410 -10.474 1.00 0.00 C ATOM 254 C THR A 19 5.369 -6.999 -11.046 1.00 0.00 C ATOM 255 O THR A 19 4.994 -6.045 -10.364 1.00 0.00 O ATOM 256 CB THR A 19 4.245 -9.228 -10.997 1.00 0.00 C ATOM 257 OG1 THR A 19 3.159 -9.155 -10.066 1.00 0.00 O ATOM 258 CG2 THR A 19 4.636 -10.681 -11.215 1.00 0.00 C ATOM 0 H THR A 19 4.772 -8.976 -8.570 1.00 0.00 H new ATOM 0 HA THR A 19 6.367 -8.884 -10.802 1.00 0.00 H new ATOM 0 HB THR A 19 3.934 -8.806 -11.952 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.465 -9.798 -10.322 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.775 -11.238 -11.584 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.443 -10.735 -11.945 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.971 -11.113 -10.272 1.00 0.00 H new ATOM 266 N PRO A 20 5.733 -6.861 -12.330 1.00 0.00 N ATOM 267 CA PRO A 20 5.715 -5.570 -13.023 1.00 0.00 C ATOM 268 C PRO A 20 4.299 -5.063 -13.268 1.00 0.00 C ATOM 269 O PRO A 20 4.008 -3.884 -13.070 1.00 0.00 O ATOM 270 CB PRO A 20 6.414 -5.871 -14.351 1.00 0.00 C ATOM 271 CG PRO A 20 6.200 -7.329 -14.571 1.00 0.00 C ATOM 272 CD PRO A 20 6.190 -7.955 -13.204 1.00 0.00 C ATOM 0 HA PRO A 20 6.199 -4.787 -12.439 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.990 -5.282 -15.164 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.476 -5.630 -14.303 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.260 -7.512 -15.091 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.993 -7.751 -15.188 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.518 -8.812 -13.160 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.180 -8.311 -12.918 1.00 0.00 H new ATOM 280 N ALA A 21 3.420 -5.962 -13.702 1.00 0.00 N ATOM 281 CA ALA A 21 2.033 -5.606 -13.972 1.00 0.00 C ATOM 282 C ALA A 21 1.335 -5.117 -12.707 1.00 0.00 C ATOM 283 O ALA A 21 0.413 -4.305 -12.769 1.00 0.00 O ATOM 284 CB ALA A 21 1.289 -6.793 -14.563 1.00 0.00 C ATOM 0 H ALA A 21 3.645 -6.942 -13.874 1.00 0.00 H new ATOM 0 HA ALA A 21 2.027 -4.791 -14.696 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.254 -6.513 -14.760 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.767 -7.094 -15.495 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.312 -7.624 -13.858 1.00 0.00 H new ATOM 290 N VAL A 22 1.780 -5.620 -11.560 1.00 0.00 N ATOM 291 CA VAL A 22 1.198 -5.235 -10.280 1.00 0.00 C ATOM 292 C VAL A 22 1.811 -3.938 -9.765 1.00 0.00 C ATOM 293 O VAL A 22 1.123 -3.104 -9.176 1.00 0.00 O ATOM 294 CB VAL A 22 1.392 -6.337 -9.220 1.00 0.00 C ATOM 295 CG1 VAL A 22 0.862 -5.880 -7.870 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.713 -7.625 -9.661 1.00 0.00 C ATOM 0 H VAL A 22 2.542 -6.295 -11.491 1.00 0.00 H new ATOM 0 HA VAL A 22 0.131 -5.088 -10.450 1.00 0.00 H new ATOM 0 HB VAL A 22 2.459 -6.533 -9.116 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.008 -6.672 -7.135 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.399 -4.986 -7.552 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.201 -5.654 -7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.860 -8.392 -8.901 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.354 -7.446 -9.795 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.146 -7.960 -10.604 1.00 0.00 H new ATOM 306 N ARG A 23 3.110 -3.773 -9.992 1.00 0.00 N ATOM 307 CA ARG A 23 3.817 -2.577 -9.550 1.00 0.00 C ATOM 308 C ARG A 23 3.139 -1.318 -10.082 1.00 0.00 C ATOM 309 O ARG A 23 3.124 -0.281 -9.418 1.00 0.00 O ATOM 310 CB ARG A 23 5.274 -2.619 -10.015 1.00 0.00 C ATOM 311 CG ARG A 23 6.155 -3.527 -9.173 1.00 0.00 C ATOM 312 CD ARG A 23 7.468 -3.838 -9.877 1.00 0.00 C ATOM 313 NE ARG A 23 8.506 -2.863 -9.554 1.00 0.00 N ATOM 314 CZ ARG A 23 9.258 -2.925 -8.461 1.00 0.00 C ATOM 315 NH1 ARG A 23 9.089 -3.910 -7.591 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.182 -2.000 -8.236 1.00 0.00 N ATOM 0 H ARG A 23 3.694 -4.452 -10.479 1.00 0.00 H new ATOM 0 HA ARG A 23 3.791 -2.551 -8.461 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.306 -2.955 -11.052 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.683 -1.609 -9.994 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.359 -3.051 -8.214 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.625 -4.456 -8.961 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.805 -4.835 -9.592 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.307 -3.852 -10.955 1.00 0.00 H new ATOM 0 HE ARG A 23 8.662 -2.092 -10.203 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.380 -4.623 -7.760 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.668 -3.955 -6.753 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.316 -1.240 -8.903 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.759 -2.049 -7.396 1.00 0.00 H new ATOM 330 N ARG A 24 2.580 -1.414 -11.284 1.00 0.00 N ATOM 331 CA ARG A 24 1.902 -0.284 -11.905 1.00 0.00 C ATOM 332 C ARG A 24 0.516 -0.082 -11.300 1.00 0.00 C ATOM 333 O ARG A 24 0.108 1.046 -11.017 1.00 0.00 O ATOM 334 CB ARG A 24 1.785 -0.498 -13.416 1.00 0.00 C ATOM 335 CG ARG A 24 0.587 0.200 -14.039 1.00 0.00 C ATOM 336 CD ARG A 24 0.766 0.379 -15.539 1.00 0.00 C ATOM 337 NE ARG A 24 -0.512 0.382 -16.245 1.00 0.00 N ATOM 338 CZ ARG A 24 -1.189 -0.721 -16.545 1.00 0.00 C ATOM 339 NH1 ARG A 24 -0.712 -1.910 -16.201 1.00 0.00 N ATOM 340 NH2 ARG A 24 -2.345 -0.637 -17.190 1.00 0.00 N ATOM 0 H ARG A 24 2.584 -2.264 -11.847 1.00 0.00 H new ATOM 0 HA ARG A 24 2.496 0.611 -11.717 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.695 -0.139 -13.897 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.718 -1.567 -13.619 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.315 -0.380 -13.846 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.447 1.173 -13.569 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.290 1.315 -15.733 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.393 -0.423 -15.928 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.907 1.280 -16.523 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.177 -1.979 -15.705 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.234 -2.755 -16.433 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.715 0.275 -17.456 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.864 -1.485 -17.420 1.00 0.00 H new ATOM 354 N LEU A 25 -0.205 -1.181 -11.106 1.00 0.00 N ATOM 355 CA LEU A 25 -1.547 -1.125 -10.536 1.00 0.00 C ATOM 356 C LEU A 25 -1.599 -0.152 -9.363 1.00 0.00 C ATOM 357 O LEU A 25 -2.661 0.372 -9.025 1.00 0.00 O ATOM 358 CB LEU A 25 -1.986 -2.517 -10.078 1.00 0.00 C ATOM 359 CG LEU A 25 -3.492 -2.776 -10.065 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.098 -2.468 -11.425 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.783 -4.213 -9.662 1.00 0.00 C ATOM 0 H LEU A 25 0.117 -2.121 -11.335 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.229 -0.771 -11.309 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.516 -3.256 -10.727 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.600 -2.685 -9.073 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.949 -2.115 -9.329 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.171 -2.658 -11.397 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.921 -1.421 -11.673 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.637 -3.103 -12.181 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.860 -4.379 -9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.314 -4.893 -10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.384 -4.399 -8.665 1.00 0.00 H new ATOM 373 N ALA A 26 -0.446 0.089 -8.747 1.00 0.00 N ATOM 374 CA ALA A 26 -0.361 1.003 -7.615 1.00 0.00 C ATOM 375 C ALA A 26 -0.161 2.441 -8.084 1.00 0.00 C ATOM 376 O ALA A 26 -0.930 3.332 -7.728 1.00 0.00 O ATOM 377 CB ALA A 26 0.770 0.587 -6.685 1.00 0.00 C ATOM 0 H ALA A 26 0.442 -0.336 -9.013 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.303 0.954 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.822 1.278 -5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.585 -0.421 -6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.714 0.606 -7.229 1.00 0.00 H new ATOM 383 N MET A 27 0.877 2.657 -8.885 1.00 0.00 N ATOM 384 CA MET A 27 1.178 3.988 -9.403 1.00 0.00 C ATOM 385 C MET A 27 -0.057 4.614 -10.042 1.00 0.00 C ATOM 386 O MET A 27 -0.164 5.836 -10.140 1.00 0.00 O ATOM 387 CB MET A 27 2.315 3.915 -10.424 1.00 0.00 C ATOM 388 CG MET A 27 1.847 3.567 -11.829 1.00 0.00 C ATOM 389 SD MET A 27 3.156 3.740 -13.058 1.00 0.00 S ATOM 390 CE MET A 27 2.328 4.740 -14.293 1.00 0.00 C ATOM 0 H MET A 27 1.523 1.929 -9.190 1.00 0.00 H new ATOM 0 HA MET A 27 1.490 4.615 -8.568 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.832 4.874 -10.449 1.00 0.00 H new ATOM 0 HB3 MET A 27 3.040 3.170 -10.096 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.475 2.542 -11.841 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.011 4.212 -12.100 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.010 4.934 -15.121 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.450 4.209 -14.662 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.020 5.686 -13.848 1.00 0.00 H new ATOM 400 N GLU A 28 -0.988 3.768 -10.475 1.00 0.00 N ATOM 401 CA GLU A 28 -2.214 4.241 -11.105 1.00 0.00 C ATOM 402 C GLU A 28 -3.261 4.602 -10.056 1.00 0.00 C ATOM 403 O GLU A 28 -4.035 5.542 -10.233 1.00 0.00 O ATOM 404 CB GLU A 28 -2.771 3.174 -12.051 1.00 0.00 C ATOM 405 CG GLU A 28 -1.851 2.852 -13.216 1.00 0.00 C ATOM 406 CD GLU A 28 -2.007 3.824 -14.369 1.00 0.00 C ATOM 407 OE1 GLU A 28 -1.638 5.005 -14.205 1.00 0.00 O ATOM 408 OE2 GLU A 28 -2.500 3.401 -15.436 1.00 0.00 O ATOM 0 H GLU A 28 -0.916 2.753 -10.401 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.976 5.137 -11.678 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.959 2.262 -11.485 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.731 3.512 -12.440 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.817 2.866 -12.872 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.057 1.841 -13.568 1.00 0.00 H new ATOM 415 N ASN A 29 -3.279 3.846 -8.962 1.00 0.00 N ATOM 416 CA ASN A 29 -4.232 4.086 -7.884 1.00 0.00 C ATOM 417 C ASN A 29 -3.572 4.837 -6.732 1.00 0.00 C ATOM 418 O ASN A 29 -4.075 4.839 -5.609 1.00 0.00 O ATOM 419 CB ASN A 29 -4.807 2.760 -7.380 1.00 0.00 C ATOM 420 CG ASN A 29 -5.777 2.139 -8.366 1.00 0.00 C ATOM 421 OD1 ASN A 29 -6.905 2.607 -8.523 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.342 1.079 -9.036 1.00 0.00 N ATOM 0 H ASN A 29 -2.645 3.063 -8.799 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.042 4.700 -8.278 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.991 2.063 -7.189 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.315 2.925 -6.430 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.950 0.619 -9.713 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.399 0.725 -8.874 1.00 0.00 H new ATOM 429 N ASN A 30 -2.442 5.475 -7.019 1.00 0.00 N ATOM 430 CA ASN A 30 -1.712 6.231 -6.008 1.00 0.00 C ATOM 431 C ASN A 30 -1.558 5.416 -4.726 1.00 0.00 C ATOM 432 O ASN A 30 -1.744 5.934 -3.624 1.00 0.00 O ATOM 433 CB ASN A 30 -2.432 7.547 -5.706 1.00 0.00 C ATOM 434 CG ASN A 30 -1.562 8.518 -4.933 1.00 0.00 C ATOM 435 OD1 ASN A 30 -1.793 8.771 -3.750 1.00 0.00 O ATOM 436 ND2 ASN A 30 -0.554 9.069 -5.599 1.00 0.00 N ATOM 0 H ASN A 30 -2.012 5.483 -7.944 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.719 6.450 -6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.745 8.010 -6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.337 7.340 -5.135 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.065 9.731 -5.131 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.399 8.831 -6.579 1.00 0.00 H new ATOM 443 N ILE A 31 -1.218 4.142 -4.880 1.00 0.00 N ATOM 444 CA ILE A 31 -1.038 3.257 -3.735 1.00 0.00 C ATOM 445 C ILE A 31 0.438 3.124 -3.370 1.00 0.00 C ATOM 446 O ILE A 31 1.291 2.955 -4.240 1.00 0.00 O ATOM 447 CB ILE A 31 -1.614 1.856 -4.011 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.131 1.932 -4.194 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.258 0.905 -2.878 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.777 0.589 -4.454 1.00 0.00 C ATOM 0 H ILE A 31 -1.061 3.699 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.578 3.706 -2.901 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.175 1.473 -4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.575 2.373 -3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.355 2.601 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.672 -0.081 -3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.174 0.833 -2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.673 1.282 -1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.853 0.720 -4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.361 0.155 -5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.584 -0.077 -3.613 1.00 0.00 H new ATOM 462 N LYS A 32 0.730 3.202 -2.076 1.00 0.00 N ATOM 463 CA LYS A 32 2.101 3.087 -1.594 1.00 0.00 C ATOM 464 C LYS A 32 2.510 1.625 -1.458 1.00 0.00 C ATOM 465 O LYS A 32 2.300 1.004 -0.415 1.00 0.00 O ATOM 466 CB LYS A 32 2.249 3.797 -0.245 1.00 0.00 C ATOM 467 CG LYS A 32 2.173 5.310 -0.343 1.00 0.00 C ATOM 468 CD LYS A 32 0.733 5.794 -0.398 1.00 0.00 C ATOM 469 CE LYS A 32 0.618 7.251 0.022 1.00 0.00 C ATOM 470 NZ LYS A 32 -0.694 7.839 -0.369 1.00 0.00 N ATOM 0 H LYS A 32 0.036 3.344 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 32 2.757 3.562 -2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.468 3.445 0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.204 3.518 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.675 5.757 0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.705 5.645 -1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.346 5.674 -1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.115 5.176 0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.743 7.329 1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.424 7.825 -0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.733 8.833 -0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.803 7.788 -1.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.463 7.307 0.087 1.00 0.00 H new ATOM 484 N LEU A 33 3.096 1.078 -2.517 1.00 0.00 N ATOM 485 CA LEU A 33 3.537 -0.312 -2.516 1.00 0.00 C ATOM 486 C LEU A 33 4.022 -0.729 -1.132 1.00 0.00 C ATOM 487 O LEU A 33 3.499 -1.669 -0.535 1.00 0.00 O ATOM 488 CB LEU A 33 4.652 -0.516 -3.544 1.00 0.00 C ATOM 489 CG LEU A 33 4.204 -0.932 -4.946 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.410 -1.152 -5.846 1.00 0.00 C ATOM 491 CD2 LEU A 33 3.348 -2.187 -4.882 1.00 0.00 C ATOM 0 H LEU A 33 3.277 1.577 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 33 2.686 -0.937 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.218 0.412 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.336 -1.274 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 33 3.602 -0.128 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.073 -1.447 -6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.984 -0.228 -5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.038 -1.938 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.038 -2.468 -5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.925 -2.999 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.466 -1.995 -4.271 1.00 0.00 H new ATOM 503 N SER A 34 5.027 -0.020 -0.626 1.00 0.00 N ATOM 504 CA SER A 34 5.585 -0.316 0.688 1.00 0.00 C ATOM 505 C SER A 34 4.477 -0.542 1.711 1.00 0.00 C ATOM 506 O SER A 34 4.544 -1.467 2.522 1.00 0.00 O ATOM 507 CB SER A 34 6.495 0.825 1.149 1.00 0.00 C ATOM 508 OG SER A 34 6.942 0.616 2.477 1.00 0.00 O ATOM 0 H SER A 34 5.471 0.763 -1.106 1.00 0.00 H new ATOM 0 HA SER A 34 6.173 -1.230 0.607 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.353 0.903 0.481 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.957 1.771 1.088 1.00 0.00 H new ATOM 0 HG SER A 34 7.523 1.358 2.747 1.00 0.00 H new ATOM 514 N GLU A 35 3.456 0.308 1.667 1.00 0.00 N ATOM 515 CA GLU A 35 2.332 0.201 2.590 1.00 0.00 C ATOM 516 C GLU A 35 1.505 -1.048 2.299 1.00 0.00 C ATOM 517 O GLU A 35 0.949 -1.665 3.207 1.00 0.00 O ATOM 518 CB GLU A 35 1.448 1.446 2.498 1.00 0.00 C ATOM 519 CG GLU A 35 2.179 2.739 2.819 1.00 0.00 C ATOM 520 CD GLU A 35 2.713 2.770 4.238 1.00 0.00 C ATOM 521 OE1 GLU A 35 2.007 2.288 5.148 1.00 0.00 O ATOM 522 OE2 GLU A 35 3.837 3.276 4.437 1.00 0.00 O ATOM 0 H GLU A 35 3.384 1.078 1.002 1.00 0.00 H new ATOM 0 HA GLU A 35 2.731 0.122 3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.034 1.513 1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.607 1.335 3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.006 2.868 2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.503 3.581 2.671 1.00 0.00 H new ATOM 529 N VAL A 36 1.427 -1.413 1.023 1.00 0.00 N ATOM 530 CA VAL A 36 0.668 -2.588 0.610 1.00 0.00 C ATOM 531 C VAL A 36 1.279 -3.865 1.179 1.00 0.00 C ATOM 532 O VAL A 36 2.272 -4.374 0.661 1.00 0.00 O ATOM 533 CB VAL A 36 0.603 -2.703 -0.925 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.276 -3.875 -1.336 1.00 0.00 C ATOM 535 CG2 VAL A 36 0.094 -1.405 -1.535 1.00 0.00 C ATOM 0 H VAL A 36 1.880 -0.913 0.258 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.342 -2.466 1.001 1.00 0.00 H new ATOM 0 HB VAL A 36 1.610 -2.885 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.310 -3.940 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.136 -4.799 -0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.284 -3.727 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.054 -1.504 -2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.904 -1.191 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.767 -0.590 -1.269 1.00 0.00 H new ATOM 545 N VAL A 37 0.676 -4.376 2.247 1.00 0.00 N ATOM 546 CA VAL A 37 1.158 -5.595 2.886 1.00 0.00 C ATOM 547 C VAL A 37 1.177 -6.760 1.904 1.00 0.00 C ATOM 548 O VAL A 37 0.142 -7.358 1.613 1.00 0.00 O ATOM 549 CB VAL A 37 0.289 -5.974 4.099 1.00 0.00 C ATOM 550 CG1 VAL A 37 -1.177 -6.055 3.702 1.00 0.00 C ATOM 551 CG2 VAL A 37 0.760 -7.290 4.701 1.00 0.00 C ATOM 0 H VAL A 37 -0.147 -3.965 2.688 1.00 0.00 H new ATOM 0 HA VAL A 37 2.174 -5.394 3.225 1.00 0.00 H new ATOM 0 HB VAL A 37 0.393 -5.196 4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.775 -6.324 4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.505 -5.088 3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.303 -6.811 2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.135 -7.543 5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.687 -8.079 3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.796 -7.192 5.025 1.00 0.00 H new ATOM 561 N GLY A 38 2.364 -7.079 1.394 1.00 0.00 N ATOM 562 CA GLY A 38 2.496 -8.173 0.450 1.00 0.00 C ATOM 563 C GLY A 38 2.003 -9.490 1.015 1.00 0.00 C ATOM 564 O GLY A 38 2.021 -9.698 2.229 1.00 0.00 O ATOM 0 H GLY A 38 3.236 -6.599 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.936 -7.937 -0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.542 -8.274 0.160 1.00 0.00 H new ATOM 627 N ARG A 44 6.112 -10.855 -1.204 1.00 0.00 N ATOM 628 CA ARG A 44 5.862 -10.422 -2.574 1.00 0.00 C ATOM 629 C ARG A 44 4.432 -9.910 -2.729 1.00 0.00 C ATOM 630 O ARG A 44 3.471 -10.647 -2.506 1.00 0.00 O ATOM 631 CB ARG A 44 6.111 -11.575 -3.549 1.00 0.00 C ATOM 632 CG ARG A 44 5.584 -11.312 -4.949 1.00 0.00 C ATOM 633 CD ARG A 44 5.526 -12.590 -5.771 1.00 0.00 C ATOM 634 NE ARG A 44 6.789 -12.860 -6.454 1.00 0.00 N ATOM 635 CZ ARG A 44 6.924 -13.758 -7.424 1.00 0.00 C ATOM 636 NH1 ARG A 44 5.878 -14.468 -7.824 1.00 0.00 N ATOM 637 NH2 ARG A 44 8.106 -13.945 -7.997 1.00 0.00 N ATOM 0 HA ARG A 44 6.549 -9.607 -2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.182 -11.769 -3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.643 -12.478 -3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.589 -10.872 -4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.224 -10.585 -5.449 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.280 -13.429 -5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.726 -12.512 -6.507 1.00 0.00 H new ATOM 0 HE ARG A 44 7.613 -12.330 -6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.968 -14.325 -7.387 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.984 -15.157 -8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.912 -13.399 -7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.208 -14.635 -8.742 1.00 0.00 H new ATOM 651 N ILE A 45 4.301 -8.645 -3.113 1.00 0.00 N ATOM 652 CA ILE A 45 2.990 -8.036 -3.298 1.00 0.00 C ATOM 653 C ILE A 45 2.367 -8.465 -4.623 1.00 0.00 C ATOM 654 O ILE A 45 2.846 -8.094 -5.695 1.00 0.00 O ATOM 655 CB ILE A 45 3.073 -6.499 -3.256 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.888 -6.043 -2.044 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.678 -5.894 -3.220 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.530 -4.684 -2.224 1.00 0.00 C ATOM 0 H ILE A 45 5.086 -8.022 -3.302 1.00 0.00 H new ATOM 0 HA ILE A 45 2.363 -8.380 -2.476 1.00 0.00 H new ATOM 0 HB ILE A 45 3.575 -6.153 -4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.239 -6.016 -1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.666 -6.779 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.753 -4.807 -3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.128 -6.195 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.152 -6.245 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.091 -4.425 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.205 -4.711 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.756 -3.936 -2.396 1.00 0.00 H new ATOM 670 N LEU A 46 1.296 -9.245 -4.540 1.00 0.00 N ATOM 671 CA LEU A 46 0.604 -9.724 -5.732 1.00 0.00 C ATOM 672 C LEU A 46 -0.513 -8.767 -6.135 1.00 0.00 C ATOM 673 O LEU A 46 -0.815 -7.812 -5.419 1.00 0.00 O ATOM 674 CB LEU A 46 0.032 -11.121 -5.488 1.00 0.00 C ATOM 675 CG LEU A 46 0.982 -12.134 -4.849 1.00 0.00 C ATOM 676 CD1 LEU A 46 0.223 -13.377 -4.413 1.00 0.00 C ATOM 677 CD2 LEU A 46 2.099 -12.501 -5.814 1.00 0.00 C ATOM 0 H LEU A 46 0.887 -9.560 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 46 1.327 -9.772 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.847 -11.025 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.308 -11.524 -6.442 1.00 0.00 H new ATOM 0 HG LEU A 46 1.428 -11.677 -3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.916 -14.086 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.540 -13.101 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.252 -13.836 -5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.765 -13.223 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.671 -12.938 -6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.662 -11.605 -6.076 1.00 0.00 H new ATOM 689 N LYS A 47 -1.125 -9.030 -7.285 1.00 0.00 N ATOM 690 CA LYS A 47 -2.212 -8.196 -7.781 1.00 0.00 C ATOM 691 C LYS A 47 -3.346 -8.117 -6.765 1.00 0.00 C ATOM 692 O LYS A 47 -3.982 -7.074 -6.612 1.00 0.00 O ATOM 693 CB LYS A 47 -2.740 -8.747 -9.108 1.00 0.00 C ATOM 694 CG LYS A 47 -3.784 -7.860 -9.763 1.00 0.00 C ATOM 695 CD LYS A 47 -4.190 -8.389 -11.128 1.00 0.00 C ATOM 696 CE LYS A 47 -5.572 -7.896 -11.529 1.00 0.00 C ATOM 697 NZ LYS A 47 -6.653 -8.646 -10.832 1.00 0.00 N ATOM 0 H LYS A 47 -0.886 -9.815 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.821 -7.191 -7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.904 -8.878 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.170 -9.734 -8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.662 -7.796 -9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.390 -6.849 -9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.460 -8.074 -11.873 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.181 -9.479 -11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.660 -6.834 -11.298 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.696 -7.999 -12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.578 -8.339 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.535 -9.665 -11.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.602 -8.459 -9.810 1.00 0.00 H new ATOM 711 N GLU A 48 -3.593 -9.224 -6.073 1.00 0.00 N ATOM 712 CA GLU A 48 -4.650 -9.278 -5.070 1.00 0.00 C ATOM 713 C GLU A 48 -4.412 -8.245 -3.972 1.00 0.00 C ATOM 714 O GLU A 48 -5.344 -7.577 -3.522 1.00 0.00 O ATOM 715 CB GLU A 48 -4.732 -10.677 -4.457 1.00 0.00 C ATOM 716 CG GLU A 48 -3.382 -11.247 -4.057 1.00 0.00 C ATOM 717 CD GLU A 48 -3.502 -12.550 -3.290 1.00 0.00 C ATOM 718 OE1 GLU A 48 -4.452 -13.313 -3.564 1.00 0.00 O ATOM 719 OE2 GLU A 48 -2.648 -12.806 -2.417 1.00 0.00 O ATOM 0 H GLU A 48 -3.076 -10.096 -6.188 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.594 -9.049 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.377 -10.642 -3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.204 -11.351 -5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.782 -11.411 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.851 -10.518 -3.446 1.00 0.00 H new ATOM 726 N ASP A 49 -3.160 -8.119 -3.547 1.00 0.00 N ATOM 727 CA ASP A 49 -2.799 -7.167 -2.503 1.00 0.00 C ATOM 728 C ASP A 49 -3.336 -5.777 -2.825 1.00 0.00 C ATOM 729 O ASP A 49 -3.862 -5.085 -1.952 1.00 0.00 O ATOM 730 CB ASP A 49 -1.279 -7.114 -2.335 1.00 0.00 C ATOM 731 CG ASP A 49 -0.744 -8.284 -1.535 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.340 -8.607 -0.485 1.00 0.00 O ATOM 733 OD2 ASP A 49 0.270 -8.878 -1.958 1.00 0.00 O ATOM 0 H ASP A 49 -2.378 -8.664 -3.909 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.249 -7.503 -1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.808 -7.104 -3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.003 -6.183 -1.840 1.00 0.00 H new ATOM 738 N ILE A 50 -3.201 -5.373 -4.085 1.00 0.00 N ATOM 739 CA ILE A 50 -3.674 -4.065 -4.522 1.00 0.00 C ATOM 740 C ILE A 50 -5.167 -3.906 -4.264 1.00 0.00 C ATOM 741 O ILE A 50 -5.598 -2.958 -3.607 1.00 0.00 O ATOM 742 CB ILE A 50 -3.394 -3.837 -6.019 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.914 -4.074 -6.326 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.807 -2.431 -6.427 1.00 0.00 C ATOM 745 CD1 ILE A 50 -1.000 -3.019 -5.743 1.00 0.00 C ATOM 0 H ILE A 50 -2.768 -5.933 -4.820 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.128 -3.321 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.983 -4.550 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.623 -5.050 -5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.776 -4.106 -7.407 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.603 -2.285 -7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.872 -2.296 -6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.242 -1.703 -5.845 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.034 -3.251 -6.000 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.265 -2.043 -6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.109 -3.002 -4.659 1.00 0.00 H new ATOM 757 N LEU A 51 -5.955 -4.840 -4.785 1.00 0.00 N ATOM 758 CA LEU A 51 -7.402 -4.806 -4.612 1.00 0.00 C ATOM 759 C LEU A 51 -7.775 -4.878 -3.134 1.00 0.00 C ATOM 760 O LEU A 51 -8.888 -4.526 -2.746 1.00 0.00 O ATOM 761 CB LEU A 51 -8.055 -5.963 -5.371 1.00 0.00 C ATOM 762 CG LEU A 51 -8.025 -5.866 -6.897 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.272 -7.230 -7.523 1.00 0.00 C ATOM 764 CD2 LEU A 51 -9.054 -4.858 -7.387 1.00 0.00 C ATOM 0 H LEU A 51 -5.615 -5.631 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.769 -3.862 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.562 -6.889 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.094 -6.040 -5.052 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.036 -5.523 -7.201 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.247 -7.142 -8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.498 -7.925 -7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.248 -7.602 -7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.019 -4.802 -8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.049 -5.172 -7.072 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.832 -3.878 -6.966 1.00 0.00 H new ATOM 776 N ASN A 52 -6.835 -5.336 -2.314 1.00 0.00 N ATOM 777 CA ASN A 52 -7.064 -5.453 -0.878 1.00 0.00 C ATOM 778 C ASN A 52 -6.588 -4.201 -0.147 1.00 0.00 C ATOM 779 O ASN A 52 -6.976 -3.950 0.994 1.00 0.00 O ATOM 780 CB ASN A 52 -6.343 -6.684 -0.324 1.00 0.00 C ATOM 781 CG ASN A 52 -7.022 -7.980 -0.722 1.00 0.00 C ATOM 782 OD1 ASN A 52 -8.228 -8.011 -0.971 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.251 -9.058 -0.783 1.00 0.00 N ATOM 0 H ASN A 52 -5.908 -5.632 -2.619 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.136 -5.563 -0.715 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.314 -6.691 -0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.301 -6.618 0.763 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.653 -9.958 -1.044 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.256 -8.986 -0.568 1.00 0.00 H new ATOM 790 N TYR A 53 -5.749 -3.416 -0.814 1.00 0.00 N ATOM 791 CA TYR A 53 -5.220 -2.191 -0.229 1.00 0.00 C ATOM 792 C TYR A 53 -6.230 -1.052 -0.342 1.00 0.00 C ATOM 793 O TYR A 53 -6.339 -0.212 0.553 1.00 0.00 O ATOM 794 CB TYR A 53 -3.912 -1.797 -0.916 1.00 0.00 C ATOM 795 CG TYR A 53 -3.427 -0.412 -0.547 1.00 0.00 C ATOM 796 CD1 TYR A 53 -4.042 0.721 -1.066 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.355 -0.236 0.320 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.603 1.988 -0.733 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.911 1.026 0.660 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.537 2.135 0.131 1.00 0.00 C ATOM 801 OH TYR A 53 -2.096 3.395 0.466 1.00 0.00 O ATOM 0 H TYR A 53 -5.421 -3.607 -1.761 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.027 -2.377 0.827 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.142 -2.524 -0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.049 -1.849 -1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.877 0.609 -1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.861 -1.102 0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.091 2.858 -1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.078 1.144 1.337 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.339 3.323 1.084 1.00 0.00 H new ATOM 811 N LEU A 54 -6.966 -1.032 -1.447 1.00 0.00 N ATOM 812 CA LEU A 54 -7.970 0.001 -1.679 1.00 0.00 C ATOM 813 C LEU A 54 -9.178 -0.198 -0.770 1.00 0.00 C ATOM 814 O LEU A 54 -9.707 0.759 -0.206 1.00 0.00 O ATOM 815 CB LEU A 54 -8.411 -0.009 -3.143 1.00 0.00 C ATOM 816 CG LEU A 54 -7.398 0.532 -4.154 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.772 0.104 -5.565 1.00 0.00 C ATOM 818 CD2 LEU A 54 -7.308 2.048 -4.060 1.00 0.00 C ATOM 0 H LEU A 54 -6.887 -1.719 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.521 0.967 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.658 -1.034 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.327 0.575 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.419 0.115 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.040 0.498 -6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.784 -0.984 -5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.760 0.491 -5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.583 2.415 -4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.285 2.484 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.992 2.332 -3.056 1.00 0.00 H new ATOM 830 N GLU A 55 -9.608 -1.449 -0.630 1.00 0.00 N ATOM 831 CA GLU A 55 -10.752 -1.774 0.211 1.00 0.00 C ATOM 832 C GLU A 55 -10.502 -1.351 1.656 1.00 0.00 C ATOM 833 O GLU A 55 -11.440 -1.114 2.417 1.00 0.00 O ATOM 834 CB GLU A 55 -11.049 -3.274 0.151 1.00 0.00 C ATOM 835 CG GLU A 55 -10.188 -4.103 1.090 1.00 0.00 C ATOM 836 CD GLU A 55 -10.674 -5.534 1.215 1.00 0.00 C ATOM 837 OE1 GLU A 55 -10.711 -6.240 0.186 1.00 0.00 O ATOM 838 OE2 GLU A 55 -11.016 -5.947 2.343 1.00 0.00 O ATOM 0 H GLU A 55 -9.180 -2.253 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.615 -1.225 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.099 -3.438 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.900 -3.625 -0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.159 -4.103 0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.180 -3.638 2.076 1.00 0.00 H new