USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=5 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= 0.0587 USER MOD Single : A 27 MET CE :methyl 164:sc= -0.965 (180deg=-1.69!) USER MOD Single : A 29 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0016) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -146:sc= 0.552 (180deg=0.0951) 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= -0.138 K(o=-0.14,f=-2.4!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.553 -6.070 -3.834 1.00 0.00 N ATOM 224 CA LEU A 17 9.431 -7.414 -4.389 1.00 0.00 C ATOM 225 C LEU A 17 8.029 -7.648 -4.946 1.00 0.00 C ATOM 226 O LEU A 17 7.103 -7.969 -4.202 1.00 0.00 O ATOM 227 CB LEU A 17 9.749 -8.459 -3.318 1.00 0.00 C ATOM 228 CG LEU A 17 10.166 -9.838 -3.831 1.00 0.00 C ATOM 229 CD1 LEU A 17 9.401 -10.193 -5.095 1.00 0.00 C ATOM 230 CD2 LEU A 17 11.667 -9.881 -4.082 1.00 0.00 C ATOM 0 HA LEU A 17 10.146 -7.511 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.548 -8.071 -2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.871 -8.579 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 17 9.924 -10.577 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.712 -11.178 -5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.332 -10.204 -4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.609 -9.452 -5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.947 -10.869 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.933 -9.131 -4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.197 -9.674 -3.153 1.00 0.00 H new ATOM 242 N ALA A 18 7.885 -7.488 -6.256 1.00 0.00 N ATOM 243 CA ALA A 18 6.598 -7.687 -6.913 1.00 0.00 C ATOM 244 C ALA A 18 6.730 -7.562 -8.427 1.00 0.00 C ATOM 245 O ALA A 18 7.642 -6.905 -8.930 1.00 0.00 O ATOM 246 CB ALA A 18 5.577 -6.689 -6.385 1.00 0.00 C ATOM 0 H ALA A 18 8.643 -7.221 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 18 6.254 -8.696 -6.687 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.621 -6.848 -6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.454 -6.828 -5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.924 -5.675 -6.582 1.00 0.00 H new ATOM 252 N THR A 19 5.813 -8.197 -9.150 1.00 0.00 N ATOM 253 CA THR A 19 5.826 -8.159 -10.607 1.00 0.00 C ATOM 254 C THR A 19 5.665 -6.732 -11.121 1.00 0.00 C ATOM 255 O THR A 19 5.198 -5.840 -10.411 1.00 0.00 O ATOM 256 CB THR A 19 4.711 -9.037 -11.203 1.00 0.00 C ATOM 257 OG1 THR A 19 3.595 -9.086 -10.307 1.00 0.00 O ATOM 258 CG2 THR A 19 5.216 -10.447 -11.469 1.00 0.00 C ATOM 0 H THR A 19 5.051 -8.744 -8.750 1.00 0.00 H new ATOM 0 HA THR A 19 6.793 -8.550 -10.924 1.00 0.00 H new ATOM 0 HB THR A 19 4.398 -8.596 -12.149 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.889 -9.645 -10.694 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.410 -11.049 -11.890 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.047 -10.409 -12.174 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.553 -10.895 -10.534 1.00 0.00 H new ATOM 266 N PRO A 20 6.056 -6.509 -12.384 1.00 0.00 N ATOM 267 CA PRO A 20 5.962 -5.193 -13.022 1.00 0.00 C ATOM 268 C PRO A 20 4.519 -4.782 -13.293 1.00 0.00 C ATOM 269 O PRO A 20 4.148 -3.624 -13.106 1.00 0.00 O ATOM 270 CB PRO A 20 6.722 -5.381 -14.337 1.00 0.00 C ATOM 271 CG PRO A 20 6.625 -6.839 -14.625 1.00 0.00 C ATOM 272 CD PRO A 20 6.621 -7.526 -13.287 1.00 0.00 C ATOM 0 HA PRO A 20 6.367 -4.403 -12.390 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.280 -4.789 -15.138 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.761 -5.064 -14.243 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.717 -7.067 -15.183 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.466 -7.173 -15.233 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.015 -8.432 -13.302 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.626 -7.820 -12.983 1.00 0.00 H new ATOM 280 N ALA A 21 3.710 -5.739 -13.735 1.00 0.00 N ATOM 281 CA ALA A 21 2.306 -5.476 -14.030 1.00 0.00 C ATOM 282 C ALA A 21 1.560 -5.016 -12.783 1.00 0.00 C ATOM 283 O ALA A 21 0.684 -4.153 -12.853 1.00 0.00 O ATOM 284 CB ALA A 21 1.648 -6.718 -14.613 1.00 0.00 C ATOM 0 H ALA A 21 4.002 -6.703 -13.897 1.00 0.00 H new ATOM 0 HA ALA A 21 2.259 -4.673 -14.766 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.600 -6.508 -14.828 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.158 -7.002 -15.534 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.714 -7.536 -13.895 1.00 0.00 H new ATOM 290 N VAL A 22 1.912 -5.598 -11.640 1.00 0.00 N ATOM 291 CA VAL A 22 1.275 -5.247 -10.376 1.00 0.00 C ATOM 292 C VAL A 22 1.810 -3.925 -9.839 1.00 0.00 C ATOM 293 O VAL A 22 1.057 -3.107 -9.311 1.00 0.00 O ATOM 294 CB VAL A 22 1.490 -6.343 -9.316 1.00 0.00 C ATOM 295 CG1 VAL A 22 1.084 -5.842 -7.938 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.716 -7.600 -9.684 1.00 0.00 C ATOM 0 H VAL A 22 2.634 -6.314 -11.564 1.00 0.00 H new ATOM 0 HA VAL A 22 0.208 -5.149 -10.576 1.00 0.00 H new ATOM 0 HB VAL A 22 2.551 -6.592 -9.288 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.243 -6.631 -7.203 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.687 -4.973 -7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.030 -5.563 -7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.880 -8.364 -8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.347 -7.368 -9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.060 -7.970 -10.650 1.00 0.00 H new ATOM 306 N ARG A 23 3.116 -3.720 -9.980 1.00 0.00 N ATOM 307 CA ARG A 23 3.752 -2.496 -9.509 1.00 0.00 C ATOM 308 C ARG A 23 3.037 -1.265 -10.058 1.00 0.00 C ATOM 309 O ARG A 23 2.960 -0.232 -9.393 1.00 0.00 O ATOM 310 CB ARG A 23 5.225 -2.470 -9.923 1.00 0.00 C ATOM 311 CG ARG A 23 6.121 -3.321 -9.037 1.00 0.00 C ATOM 312 CD ARG A 23 7.511 -3.475 -9.635 1.00 0.00 C ATOM 313 NE ARG A 23 8.238 -2.209 -9.665 1.00 0.00 N ATOM 314 CZ ARG A 23 9.520 -2.106 -9.995 1.00 0.00 C ATOM 315 NH1 ARG A 23 10.214 -3.189 -10.322 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.112 -0.918 -10.000 1.00 0.00 N ATOM 0 H ARG A 23 3.754 -4.386 -10.417 1.00 0.00 H new ATOM 0 HA ARG A 23 3.686 -2.478 -8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.311 -2.817 -10.953 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.581 -1.440 -9.903 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.197 -2.865 -8.050 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.671 -4.305 -8.901 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.076 -4.204 -9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.428 -3.869 -10.648 1.00 0.00 H new ATOM 0 HE ARG A 23 7.733 -1.357 -9.419 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.763 -4.104 -10.320 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.199 -3.107 -10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.582 -0.083 -9.750 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.097 -0.840 -10.254 1.00 0.00 H new ATOM 330 N ARG A 24 2.518 -1.383 -11.276 1.00 0.00 N ATOM 331 CA ARG A 24 1.810 -0.280 -11.915 1.00 0.00 C ATOM 332 C ARG A 24 0.432 -0.083 -11.292 1.00 0.00 C ATOM 333 O ARG A 24 0.047 1.034 -10.948 1.00 0.00 O ATOM 334 CB ARG A 24 1.672 -0.536 -13.416 1.00 0.00 C ATOM 335 CG ARG A 24 0.596 0.306 -14.081 1.00 0.00 C ATOM 336 CD ARG A 24 0.830 0.429 -15.579 1.00 0.00 C ATOM 337 NE ARG A 24 1.651 1.589 -15.911 1.00 0.00 N ATOM 338 CZ ARG A 24 2.380 1.681 -17.018 1.00 0.00 C ATOM 339 NH1 ARG A 24 2.386 0.688 -17.896 1.00 0.00 N ATOM 340 NH2 ARG A 24 3.102 2.770 -17.250 1.00 0.00 N ATOM 0 H ARG A 24 2.575 -2.231 -11.840 1.00 0.00 H new ATOM 0 HA ARG A 24 2.391 0.629 -11.761 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.628 -0.336 -13.899 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.448 -1.590 -13.577 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.381 -0.142 -13.900 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.580 1.299 -13.632 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.315 -0.475 -15.945 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.129 0.506 -16.091 1.00 0.00 H new ATOM 0 HE ARG A 24 1.666 2.372 -15.257 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.830 -0.149 -17.723 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.947 0.761 -18.745 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.098 3.537 -16.578 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.661 2.840 -18.100 1.00 0.00 H new ATOM 354 N LEU A 25 -0.308 -1.178 -11.151 1.00 0.00 N ATOM 355 CA LEU A 25 -1.646 -1.127 -10.570 1.00 0.00 C ATOM 356 C LEU A 25 -1.714 -0.094 -9.449 1.00 0.00 C ATOM 357 O LEU A 25 -2.761 0.503 -9.206 1.00 0.00 O ATOM 358 CB LEU A 25 -2.043 -2.504 -10.035 1.00 0.00 C ATOM 359 CG LEU A 25 -3.539 -2.734 -9.817 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.303 -2.542 -11.118 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.788 -4.124 -9.252 1.00 0.00 C ATOM 0 H LEU A 25 -0.005 -2.111 -11.431 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.345 -0.833 -11.353 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.677 -3.261 -10.729 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.529 -2.665 -9.087 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.899 -2.000 -9.096 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.366 -2.710 -10.944 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.151 -1.526 -11.483 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.941 -3.252 -11.861 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.858 -4.270 -9.103 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.413 -4.873 -9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.272 -4.227 -8.298 1.00 0.00 H new ATOM 373 N ALA A 26 -0.589 0.111 -8.773 1.00 0.00 N ATOM 374 CA ALA A 26 -0.521 1.075 -7.680 1.00 0.00 C ATOM 375 C ALA A 26 -0.252 2.480 -8.206 1.00 0.00 C ATOM 376 O ALA A 26 -0.897 3.443 -7.791 1.00 0.00 O ATOM 377 CB ALA A 26 0.555 0.667 -6.684 1.00 0.00 C ATOM 0 H ALA A 26 0.287 -0.376 -8.962 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.486 1.083 -7.173 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.595 1.395 -5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.320 -0.317 -6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.521 0.630 -7.187 1.00 0.00 H new ATOM 383 N MET A 27 0.706 2.593 -9.120 1.00 0.00 N ATOM 384 CA MET A 27 1.060 3.883 -9.702 1.00 0.00 C ATOM 385 C MET A 27 -0.158 4.541 -10.343 1.00 0.00 C ATOM 386 O MET A 27 -0.188 5.757 -10.534 1.00 0.00 O ATOM 387 CB MET A 27 2.168 3.710 -10.743 1.00 0.00 C ATOM 388 CG MET A 27 1.648 3.474 -12.151 1.00 0.00 C ATOM 389 SD MET A 27 2.973 3.237 -13.350 1.00 0.00 S ATOM 390 CE MET A 27 2.671 4.608 -14.463 1.00 0.00 C ATOM 0 H MET A 27 1.251 1.807 -9.474 1.00 0.00 H new ATOM 0 HA MET A 27 1.422 4.529 -8.902 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.798 4.599 -10.742 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.800 2.871 -10.453 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.001 2.597 -12.153 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.036 4.323 -12.455 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.551 4.773 -15.084 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.816 4.379 -15.099 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.462 5.507 -13.884 1.00 0.00 H new ATOM 400 N GLU A 28 -1.158 3.731 -10.675 1.00 0.00 N ATOM 401 CA GLU A 28 -2.377 4.237 -11.296 1.00 0.00 C ATOM 402 C GLU A 28 -3.437 4.546 -10.243 1.00 0.00 C ATOM 403 O GLU A 28 -4.339 5.348 -10.472 1.00 0.00 O ATOM 404 CB GLU A 28 -2.922 3.221 -12.302 1.00 0.00 C ATOM 405 CG GLU A 28 -2.010 2.996 -13.495 1.00 0.00 C ATOM 406 CD GLU A 28 -2.163 4.068 -14.558 1.00 0.00 C ATOM 407 OE1 GLU A 28 -2.532 5.206 -14.204 1.00 0.00 O ATOM 408 OE2 GLU A 28 -1.913 3.765 -15.744 1.00 0.00 O ATOM 0 H GLU A 28 -1.148 2.722 -10.525 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.131 5.161 -11.820 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.083 2.270 -11.794 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.895 3.561 -12.658 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.974 2.971 -13.156 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.225 2.022 -13.933 1.00 0.00 H new ATOM 415 N ASN A 29 -3.318 3.900 -9.087 1.00 0.00 N ATOM 416 CA ASN A 29 -4.266 4.105 -7.997 1.00 0.00 C ATOM 417 C ASN A 29 -3.614 4.860 -6.843 1.00 0.00 C ATOM 418 O ASN A 29 -4.151 4.906 -5.736 1.00 0.00 O ATOM 419 CB ASN A 29 -4.805 2.761 -7.504 1.00 0.00 C ATOM 420 CG ASN A 29 -5.849 2.179 -8.436 1.00 0.00 C ATOM 421 OD1 ASN A 29 -7.043 2.440 -8.290 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.403 1.384 -9.402 1.00 0.00 N ATOM 0 H ASN A 29 -2.576 3.231 -8.881 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.094 4.704 -8.376 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.979 2.057 -7.403 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.238 2.888 -6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.059 0.963 -10.060 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.404 1.195 -9.486 1.00 0.00 H new ATOM 429 N ASN A 30 -2.454 5.450 -7.109 1.00 0.00 N ATOM 430 CA ASN A 30 -1.727 6.203 -6.092 1.00 0.00 C ATOM 431 C ASN A 30 -1.617 5.402 -4.799 1.00 0.00 C ATOM 432 O ASN A 30 -1.980 5.886 -3.725 1.00 0.00 O ATOM 433 CB ASN A 30 -2.425 7.537 -5.822 1.00 0.00 C ATOM 434 CG ASN A 30 -2.212 8.539 -6.941 1.00 0.00 C ATOM 435 OD1 ASN A 30 -2.858 8.465 -7.987 1.00 0.00 O ATOM 436 ND2 ASN A 30 -1.301 9.482 -6.726 1.00 0.00 N ATOM 0 H ASN A 30 -1.996 5.422 -8.020 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.721 6.396 -6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.493 7.365 -5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.053 7.956 -4.887 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.113 10.183 -7.443 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.789 9.505 -5.844 1.00 0.00 H new ATOM 443 N ILE A 31 -1.114 4.178 -4.908 1.00 0.00 N ATOM 444 CA ILE A 31 -0.954 3.311 -3.746 1.00 0.00 C ATOM 445 C ILE A 31 0.518 3.142 -3.386 1.00 0.00 C ATOM 446 O ILE A 31 1.378 3.057 -4.263 1.00 0.00 O ATOM 447 CB ILE A 31 -1.575 1.924 -3.990 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.089 2.045 -4.184 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.257 0.990 -2.831 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.771 0.722 -4.453 1.00 0.00 C ATOM 0 H ILE A 31 -0.810 3.763 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.475 3.792 -2.918 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.144 1.504 -4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.526 2.496 -3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.288 2.723 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.703 0.013 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.176 0.883 -2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.664 1.404 -1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.841 0.884 -4.580 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.361 0.279 -5.360 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.603 0.049 -3.613 1.00 0.00 H new ATOM 462 N LYS A 32 0.801 3.090 -2.089 1.00 0.00 N ATOM 463 CA LYS A 32 2.169 2.926 -1.610 1.00 0.00 C ATOM 464 C LYS A 32 2.523 1.449 -1.468 1.00 0.00 C ATOM 465 O LYS A 32 2.274 0.838 -0.427 1.00 0.00 O ATOM 466 CB LYS A 32 2.349 3.637 -0.266 1.00 0.00 C ATOM 467 CG LYS A 32 2.538 5.138 -0.393 1.00 0.00 C ATOM 468 CD LYS A 32 1.209 5.873 -0.357 1.00 0.00 C ATOM 469 CE LYS A 32 0.629 6.045 -1.752 1.00 0.00 C ATOM 470 NZ LYS A 32 -0.193 7.282 -1.862 1.00 0.00 N ATOM 0 H LYS A 32 0.101 3.159 -1.350 1.00 0.00 H new ATOM 0 HA LYS A 32 2.840 3.373 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.478 3.441 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.212 3.213 0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.174 5.495 0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.054 5.363 -1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.504 5.322 0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.345 6.851 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.439 6.081 -2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.016 5.178 -2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.984 7.116 -2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.566 7.535 -0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.397 8.060 -2.221 1.00 0.00 H new ATOM 484 N LEU A 33 3.105 0.881 -2.518 1.00 0.00 N ATOM 485 CA LEU A 33 3.494 -0.525 -2.509 1.00 0.00 C ATOM 486 C LEU A 33 3.944 -0.956 -1.117 1.00 0.00 C ATOM 487 O LEU A 33 3.382 -1.882 -0.532 1.00 0.00 O ATOM 488 CB LEU A 33 4.617 -0.769 -3.520 1.00 0.00 C ATOM 489 CG LEU A 33 4.177 -1.170 -4.928 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.370 -1.205 -5.870 1.00 0.00 C ATOM 491 CD2 LEU A 33 3.475 -2.520 -4.903 1.00 0.00 C ATOM 0 H LEU A 33 3.318 1.372 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 33 2.625 -1.120 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.216 0.138 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.268 -1.550 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 33 3.473 -0.423 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.038 -1.492 -6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.830 -0.218 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.099 -1.930 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.169 -2.790 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.157 -3.277 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.596 -2.461 -4.261 1.00 0.00 H new ATOM 503 N SER A 34 4.959 -0.278 -0.592 1.00 0.00 N ATOM 504 CA SER A 34 5.486 -0.592 0.731 1.00 0.00 C ATOM 505 C SER A 34 4.352 -0.797 1.732 1.00 0.00 C ATOM 506 O SER A 34 4.377 -1.732 2.531 1.00 0.00 O ATOM 507 CB SER A 34 6.412 0.525 1.213 1.00 0.00 C ATOM 508 OG SER A 34 7.132 0.129 2.367 1.00 0.00 O ATOM 0 H SER A 34 5.433 0.493 -1.063 1.00 0.00 H new ATOM 0 HA SER A 34 6.055 -1.519 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.110 0.791 0.419 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.826 1.417 1.435 1.00 0.00 H new ATOM 0 HG SER A 34 7.718 0.860 2.654 1.00 0.00 H new ATOM 514 N GLU A 35 3.361 0.086 1.682 1.00 0.00 N ATOM 515 CA GLU A 35 2.219 0.004 2.585 1.00 0.00 C ATOM 516 C GLU A 35 1.356 -1.213 2.261 1.00 0.00 C ATOM 517 O GLU A 35 0.714 -1.785 3.142 1.00 0.00 O ATOM 518 CB GLU A 35 1.376 1.278 2.495 1.00 0.00 C ATOM 519 CG GLU A 35 2.145 2.542 2.841 1.00 0.00 C ATOM 520 CD GLU A 35 2.705 2.518 4.250 1.00 0.00 C ATOM 521 OE1 GLU A 35 1.917 2.684 5.205 1.00 0.00 O ATOM 522 OE2 GLU A 35 3.931 2.331 4.398 1.00 0.00 O ATOM 0 H GLU A 35 3.325 0.866 1.026 1.00 0.00 H new ATOM 0 HA GLU A 35 2.599 -0.101 3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.978 1.370 1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.522 1.187 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.962 2.671 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.488 3.404 2.730 1.00 0.00 H new ATOM 529 N VAL A 36 1.346 -1.603 0.991 1.00 0.00 N ATOM 530 CA VAL A 36 0.563 -2.751 0.549 1.00 0.00 C ATOM 531 C VAL A 36 1.150 -4.053 1.084 1.00 0.00 C ATOM 532 O VAL A 36 2.093 -4.602 0.515 1.00 0.00 O ATOM 533 CB VAL A 36 0.493 -2.826 -0.988 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.423 -3.958 -1.426 1.00 0.00 C ATOM 535 CG2 VAL A 36 0.028 -1.498 -1.565 1.00 0.00 C ATOM 0 H VAL A 36 1.872 -1.141 0.249 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.444 -2.619 0.944 1.00 0.00 H new ATOM 0 HB VAL A 36 1.493 -3.032 -1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.460 -3.996 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.041 -4.904 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.426 -3.787 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.016 -1.569 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.962 -1.259 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.728 -0.713 -1.281 1.00 0.00 H new ATOM 545 N VAL A 37 0.584 -4.543 2.183 1.00 0.00 N ATOM 546 CA VAL A 37 1.048 -5.782 2.795 1.00 0.00 C ATOM 547 C VAL A 37 1.046 -6.927 1.788 1.00 0.00 C ATOM 548 O VAL A 37 -0.005 -7.469 1.451 1.00 0.00 O ATOM 549 CB VAL A 37 0.175 -6.173 4.003 1.00 0.00 C ATOM 550 CG1 VAL A 37 -1.277 -6.335 3.582 1.00 0.00 C ATOM 551 CG2 VAL A 37 0.698 -7.449 4.646 1.00 0.00 C ATOM 0 H VAL A 37 -0.197 -4.100 2.667 1.00 0.00 H new ATOM 0 HA VAL A 37 2.068 -5.604 3.136 1.00 0.00 H new ATOM 0 HB VAL A 37 0.227 -5.373 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.878 -6.611 4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.644 -5.395 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.351 -7.116 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.070 -7.711 5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.677 -8.259 3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.722 -7.292 4.985 1.00 0.00 H new ATOM 561 N GLY A 38 2.233 -7.290 1.311 1.00 0.00 N ATOM 562 CA GLY A 38 2.346 -8.370 0.348 1.00 0.00 C ATOM 563 C GLY A 38 1.913 -9.705 0.919 1.00 0.00 C ATOM 564 O GLY A 38 2.074 -9.958 2.114 1.00 0.00 O ATOM 0 H GLY A 38 3.118 -6.856 1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.738 -8.138 -0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.379 -8.442 0.007 1.00 0.00 H new ATOM 627 N ARG A 44 6.324 -10.946 -1.357 1.00 0.00 N ATOM 628 CA ARG A 44 5.984 -10.593 -2.730 1.00 0.00 C ATOM 629 C ARG A 44 4.534 -10.131 -2.829 1.00 0.00 C ATOM 630 O ARG A 44 3.606 -10.917 -2.630 1.00 0.00 O ATOM 631 CB ARG A 44 6.214 -11.788 -3.658 1.00 0.00 C ATOM 632 CG ARG A 44 5.587 -11.621 -5.032 1.00 0.00 C ATOM 633 CD ARG A 44 5.522 -12.944 -5.779 1.00 0.00 C ATOM 634 NE ARG A 44 4.684 -12.859 -6.972 1.00 0.00 N ATOM 635 CZ ARG A 44 4.707 -13.754 -7.953 1.00 0.00 C ATOM 636 NH1 ARG A 44 5.522 -14.798 -7.883 1.00 0.00 N ATOM 637 NH2 ARG A 44 3.915 -13.608 -9.007 1.00 0.00 N ATOM 0 HA ARG A 44 6.631 -9.772 -3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.286 -11.946 -3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.808 -12.685 -3.189 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.582 -11.211 -4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.166 -10.902 -5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.529 -13.249 -6.064 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.131 -13.716 -5.116 1.00 0.00 H new ATOM 0 HE ARG A 44 4.045 -12.068 -7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.133 -14.915 -7.075 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.538 -15.484 -8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.286 -12.807 -9.065 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.935 -14.297 -9.759 1.00 0.00 H new ATOM 651 N ILE A 45 4.345 -8.852 -3.137 1.00 0.00 N ATOM 652 CA ILE A 45 3.008 -8.286 -3.262 1.00 0.00 C ATOM 653 C ILE A 45 2.331 -8.753 -4.547 1.00 0.00 C ATOM 654 O ILE A 45 2.849 -8.545 -5.645 1.00 0.00 O ATOM 655 CB ILE A 45 3.044 -6.747 -3.245 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.805 -6.247 -2.016 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.632 -6.183 -3.265 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.436 -4.885 -2.208 1.00 0.00 C ATOM 0 H ILE A 45 5.101 -8.188 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 45 2.436 -8.637 -2.404 1.00 0.00 H new ATOM 0 HB ILE A 45 3.565 -6.401 -4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.122 -6.205 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.584 -6.967 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.675 -5.094 -3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.120 -6.516 -4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.087 -6.535 -2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.959 -4.594 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.145 -4.926 -3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.660 -4.153 -2.431 1.00 0.00 H new ATOM 670 N LEU A 46 1.171 -9.384 -4.402 1.00 0.00 N ATOM 671 CA LEU A 46 0.421 -9.880 -5.550 1.00 0.00 C ATOM 672 C LEU A 46 -0.717 -8.930 -5.909 1.00 0.00 C ATOM 673 O LEU A 46 -1.267 -8.248 -5.043 1.00 0.00 O ATOM 674 CB LEU A 46 -0.136 -11.274 -5.258 1.00 0.00 C ATOM 675 CG LEU A 46 0.835 -12.263 -4.612 1.00 0.00 C ATOM 676 CD1 LEU A 46 0.154 -13.601 -4.372 1.00 0.00 C ATOM 677 CD2 LEU A 46 2.072 -12.440 -5.479 1.00 0.00 C ATOM 0 H LEU A 46 0.729 -9.564 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 46 1.102 -9.939 -6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.003 -11.168 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.492 -11.704 -6.194 1.00 0.00 H new ATOM 0 HG LEU A 46 1.146 -11.859 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.861 -14.292 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.700 -13.461 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.187 -14.011 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.752 -13.147 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.779 -12.820 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.573 -11.479 -5.598 1.00 0.00 H new ATOM 689 N LYS A 47 -1.068 -8.891 -7.190 1.00 0.00 N ATOM 690 CA LYS A 47 -2.143 -8.028 -7.664 1.00 0.00 C ATOM 691 C LYS A 47 -3.250 -7.917 -6.621 1.00 0.00 C ATOM 692 O LYS A 47 -3.733 -6.823 -6.331 1.00 0.00 O ATOM 693 CB LYS A 47 -2.716 -8.567 -8.977 1.00 0.00 C ATOM 694 CG LYS A 47 -3.913 -7.782 -9.485 1.00 0.00 C ATOM 695 CD LYS A 47 -4.419 -8.333 -10.807 1.00 0.00 C ATOM 696 CE LYS A 47 -5.858 -7.914 -11.071 1.00 0.00 C ATOM 697 NZ LYS A 47 -6.832 -8.899 -10.522 1.00 0.00 N ATOM 0 H LYS A 47 -0.623 -9.448 -7.919 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.729 -7.034 -7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.935 -8.555 -9.737 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.008 -9.608 -8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.713 -7.816 -8.745 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.637 -6.735 -9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.781 -7.980 -11.618 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.351 -9.421 -10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.039 -6.936 -10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.014 -7.808 -12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.801 -8.578 -10.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.676 -9.826 -10.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.700 -8.981 -9.494 1.00 0.00 H new ATOM 711 N GLU A 48 -3.648 -9.056 -6.061 1.00 0.00 N ATOM 712 CA GLU A 48 -4.698 -9.083 -5.051 1.00 0.00 C ATOM 713 C GLU A 48 -4.421 -8.063 -3.950 1.00 0.00 C ATOM 714 O GLU A 48 -5.210 -7.143 -3.729 1.00 0.00 O ATOM 715 CB GLU A 48 -4.816 -10.484 -4.445 1.00 0.00 C ATOM 716 CG GLU A 48 -4.858 -11.594 -5.481 1.00 0.00 C ATOM 717 CD GLU A 48 -3.475 -12.088 -5.862 1.00 0.00 C ATOM 718 OE1 GLU A 48 -2.948 -12.975 -5.156 1.00 0.00 O ATOM 719 OE2 GLU A 48 -2.922 -11.590 -6.864 1.00 0.00 O ATOM 0 H GLU A 48 -3.259 -9.971 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.639 -8.823 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.972 -10.654 -3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.719 -10.532 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.443 -12.427 -5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.370 -11.234 -6.373 1.00 0.00 H new ATOM 726 N ASP A 49 -3.297 -8.233 -3.264 1.00 0.00 N ATOM 727 CA ASP A 49 -2.915 -7.327 -2.187 1.00 0.00 C ATOM 728 C ASP A 49 -3.359 -5.900 -2.494 1.00 0.00 C ATOM 729 O ASP A 49 -3.829 -5.182 -1.611 1.00 0.00 O ATOM 730 CB ASP A 49 -1.402 -7.368 -1.968 1.00 0.00 C ATOM 731 CG ASP A 49 -0.960 -8.609 -1.219 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.383 -8.784 -0.057 1.00 0.00 O ATOM 733 OD2 ASP A 49 -0.189 -9.406 -1.794 1.00 0.00 O ATOM 0 H ASP A 49 -2.634 -8.989 -3.434 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.414 -7.656 -1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.897 -7.330 -2.933 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.094 -6.482 -1.412 1.00 0.00 H new ATOM 738 N ILE A 50 -3.204 -5.495 -3.750 1.00 0.00 N ATOM 739 CA ILE A 50 -3.588 -4.154 -4.173 1.00 0.00 C ATOM 740 C ILE A 50 -5.072 -3.903 -3.926 1.00 0.00 C ATOM 741 O ILE A 50 -5.452 -2.898 -3.325 1.00 0.00 O ATOM 742 CB ILE A 50 -3.281 -3.924 -5.664 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.797 -4.170 -5.945 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.678 -2.514 -6.075 1.00 0.00 C ATOM 745 CD1 ILE A 50 -0.916 -2.986 -5.615 1.00 0.00 C ATOM 0 H ILE A 50 -2.815 -6.076 -4.492 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.000 -3.455 -3.578 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.865 -4.631 -6.254 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.464 -5.032 -5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.672 -4.424 -6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.455 -2.367 -7.132 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.746 -2.373 -5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.118 -1.791 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.122 -3.231 -5.839 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.223 -2.127 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.012 -2.745 -4.556 1.00 0.00 H new ATOM 757 N LEU A 51 -5.907 -4.826 -4.393 1.00 0.00 N ATOM 758 CA LEU A 51 -7.351 -4.708 -4.222 1.00 0.00 C ATOM 759 C LEU A 51 -7.724 -4.678 -2.743 1.00 0.00 C ATOM 760 O LEU A 51 -8.819 -4.254 -2.377 1.00 0.00 O ATOM 761 CB LEU A 51 -8.063 -5.869 -4.916 1.00 0.00 C ATOM 762 CG LEU A 51 -8.023 -5.864 -6.444 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.309 -7.254 -6.991 1.00 0.00 C ATOM 764 CD2 LEU A 51 -9.018 -4.855 -7.001 1.00 0.00 C ATOM 0 H LEU A 51 -5.609 -5.664 -4.893 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.670 -3.770 -4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.622 -6.802 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.106 -5.870 -4.600 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.022 -5.570 -6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.276 -7.230 -8.080 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.559 -7.952 -6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.298 -7.577 -6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.976 -4.865 -8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.024 -5.118 -6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.768 -3.858 -6.638 1.00 0.00 H new ATOM 776 N ASN A 52 -6.803 -5.129 -1.897 1.00 0.00 N ATOM 777 CA ASN A 52 -7.034 -5.154 -0.457 1.00 0.00 C ATOM 778 C ASN A 52 -6.597 -3.841 0.186 1.00 0.00 C ATOM 779 O ASN A 52 -7.006 -3.518 1.302 1.00 0.00 O ATOM 780 CB ASN A 52 -6.282 -6.323 0.182 1.00 0.00 C ATOM 781 CG ASN A 52 -6.846 -7.669 -0.233 1.00 0.00 C ATOM 782 OD1 ASN A 52 -7.314 -7.837 -1.359 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.803 -8.634 0.678 1.00 0.00 N ATOM 0 H ASN A 52 -5.890 -5.482 -2.184 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.103 -5.284 -0.288 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.230 -6.271 -0.098 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.328 -6.232 1.267 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.167 -9.561 0.457 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.406 -8.449 1.599 1.00 0.00 H new ATOM 790 N TYR A 53 -5.764 -3.089 -0.525 1.00 0.00 N ATOM 791 CA TYR A 53 -5.270 -1.812 -0.023 1.00 0.00 C ATOM 792 C TYR A 53 -6.225 -0.678 -0.384 1.00 0.00 C ATOM 793 O TYR A 53 -6.221 0.378 0.250 1.00 0.00 O ATOM 794 CB TYR A 53 -3.879 -1.523 -0.589 1.00 0.00 C ATOM 795 CG TYR A 53 -3.329 -0.174 -0.183 1.00 0.00 C ATOM 796 CD1 TYR A 53 -3.840 0.999 -0.724 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.297 -0.073 0.742 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.340 2.233 -0.356 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.792 1.157 1.118 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.316 2.307 0.566 1.00 0.00 C ATOM 801 OH TYR A 53 -1.815 3.534 0.936 1.00 0.00 O ATOM 0 H TYR A 53 -5.417 -3.341 -1.450 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.207 -1.877 1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.192 -2.301 -0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.920 -1.577 -1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.642 0.945 -1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.882 -0.972 1.175 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.748 3.135 -0.788 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.991 1.217 1.840 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.099 3.410 1.594 1.00 0.00 H new ATOM 811 N LEU A 54 -7.043 -0.906 -1.405 1.00 0.00 N ATOM 812 CA LEU A 54 -8.005 0.095 -1.851 1.00 0.00 C ATOM 813 C LEU A 54 -9.318 -0.031 -1.085 1.00 0.00 C ATOM 814 O LEU A 54 -9.930 0.970 -0.715 1.00 0.00 O ATOM 815 CB LEU A 54 -8.262 -0.049 -3.352 1.00 0.00 C ATOM 816 CG LEU A 54 -7.064 0.214 -4.267 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.173 -0.611 -5.539 1.00 0.00 C ATOM 818 CD2 LEU A 54 -6.960 1.695 -4.598 1.00 0.00 C ATOM 0 H LEU A 54 -7.059 -1.775 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.584 1.081 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.625 -1.059 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.063 0.635 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.157 -0.085 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.312 -0.411 -6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.197 -1.671 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.087 -0.344 -6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.102 1.863 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.869 2.019 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.834 2.265 -3.678 1.00 0.00 H new ATOM 830 N GLU A 55 -9.743 -1.268 -0.850 1.00 0.00 N ATOM 831 CA GLU A 55 -10.983 -1.525 -0.126 1.00 0.00 C ATOM 832 C GLU A 55 -11.046 -0.699 1.155 1.00 0.00 C ATOM 833 O GLU A 55 -12.126 -0.364 1.639 1.00 0.00 O ATOM 834 CB GLU A 55 -11.105 -3.014 0.207 1.00 0.00 C ATOM 835 CG GLU A 55 -9.859 -3.598 0.850 1.00 0.00 C ATOM 836 CD GLU A 55 -9.884 -3.506 2.363 1.00 0.00 C ATOM 837 OE1 GLU A 55 -10.845 -2.923 2.906 1.00 0.00 O ATOM 838 OE2 GLU A 55 -8.942 -4.018 3.004 1.00 0.00 O ATOM 0 H GLU A 55 -9.248 -2.108 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.815 -1.234 -0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.952 -3.159 0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.324 -3.565 -0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.758 -4.643 0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.981 -3.074 0.473 1.00 0.00 H new