USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 678 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 Set 1.1: A 41 CYS SG : rot 41:sc= -0.176 USER MOD Set 1.2: A 90 CYS SG : rot 100:sc= 0.452 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 140:sc= -0.0387 (180deg=-0.139) USER MOD Set 2.2: A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.51) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 147:sc= 0.346 (180deg=-0.416) USER MOD Single : A 55 HIS : no HD1:sc= -0.0623 X(o=-0.062,f=0) USER MOD Single : A 57 THR OG1 : rot -77:sc= 0.315 USER MOD Single : A 64 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-2.3) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.0798 K(o=0.08,f=-0.67) USER MOD Single : A 73 CYS SG : rot 140:sc= -0.234 USER MOD Single : A 76 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.7!) USER MOD Single : A 88 TYR OH : rot -23:sc= 0.794 USER MOD Single : A 91 MET CE :methyl 174:sc= -0.612 (180deg=-0.674) USER MOD Single : A 92 CYS SG : rot -59:sc= -1.32 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -110:sc= -0.0996 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -164:sc= -0.137 (180deg=-0.432) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 258 N ILE A 20 -2.672 18.012 -3.480 1.00 0.00 N ATOM 259 CA ILE A 20 -1.763 16.954 -3.903 1.00 0.00 C ATOM 260 C ILE A 20 -2.492 15.904 -4.736 1.00 0.00 C ATOM 261 O ILE A 20 -3.599 15.485 -4.397 1.00 0.00 O ATOM 262 CB ILE A 20 -1.099 16.265 -2.696 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.400 17.300 -1.812 1.00 0.00 C ATOM 264 CG2 ILE A 20 -0.110 15.209 -3.167 1.00 0.00 C ATOM 265 CD1 ILE A 20 0.217 16.710 -0.564 1.00 0.00 C ATOM 0 HA ILE A 20 -0.991 17.426 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.872 15.773 -2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.378 17.796 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.120 18.066 -1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.351 14.731 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.633 14.459 -3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.662 15.679 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.695 17.501 0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.560 16.239 0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.961 15.965 -0.844 1.00 0.00 H new ATOM 277 N LYS A 21 -1.862 15.481 -5.827 1.00 0.00 N ATOM 278 CA LYS A 21 -2.448 14.477 -6.707 1.00 0.00 C ATOM 279 C LYS A 21 -1.442 13.373 -7.019 1.00 0.00 C ATOM 280 O LYS A 21 -0.317 13.387 -6.520 1.00 0.00 O ATOM 281 CB LYS A 21 -2.927 15.127 -8.008 1.00 0.00 C ATOM 282 CG LYS A 21 -1.813 15.782 -8.807 1.00 0.00 C ATOM 283 CD LYS A 21 -2.303 17.023 -9.532 1.00 0.00 C ATOM 284 CE LYS A 21 -1.305 18.165 -9.420 1.00 0.00 C ATOM 285 NZ LYS A 21 -1.231 18.703 -8.033 1.00 0.00 N ATOM 0 H LYS A 21 -0.946 15.818 -6.123 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.301 14.033 -6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.410 14.370 -8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.683 15.876 -7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.994 16.049 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.416 15.070 -9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.473 16.788 -10.583 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.261 17.334 -9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.319 17.817 -9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.589 18.964 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.241 18.915 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.797 19.573 -7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.604 17.997 -7.366 1.00 0.00 H new ATOM 299 N PHE A 22 -1.855 12.420 -7.847 1.00 0.00 N ATOM 300 CA PHE A 22 -0.989 11.309 -8.226 1.00 0.00 C ATOM 301 C PHE A 22 -0.434 11.507 -9.633 1.00 0.00 C ATOM 302 O PHE A 22 -1.158 11.897 -10.550 1.00 0.00 O ATOM 303 CB PHE A 22 -1.757 9.988 -8.149 1.00 0.00 C ATOM 304 CG PHE A 22 -1.645 9.306 -6.816 1.00 0.00 C ATOM 305 CD1 PHE A 22 -0.602 8.432 -6.555 1.00 0.00 C ATOM 306 CD2 PHE A 22 -2.583 9.538 -5.823 1.00 0.00 C ATOM 307 CE1 PHE A 22 -0.497 7.803 -5.328 1.00 0.00 C ATOM 308 CE2 PHE A 22 -2.484 8.912 -4.595 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.438 8.044 -4.347 1.00 0.00 C ATOM 0 H PHE A 22 -2.783 12.394 -8.269 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.153 11.277 -7.527 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.809 10.175 -8.365 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.387 9.316 -8.924 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.137 8.240 -7.318 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.402 10.217 -6.011 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.321 7.124 -5.137 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.223 9.101 -3.830 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.357 7.555 -3.388 1.00 0.00 H new ATOM 319 N THR A 23 0.857 11.235 -9.798 1.00 0.00 N ATOM 320 CA THR A 23 1.511 11.384 -11.091 1.00 0.00 C ATOM 321 C THR A 23 1.872 10.027 -11.685 1.00 0.00 C ATOM 322 O THR A 23 1.917 9.865 -12.903 1.00 0.00 O ATOM 323 CB THR A 23 2.787 12.239 -10.981 1.00 0.00 C ATOM 324 OG1 THR A 23 3.528 12.175 -12.204 1.00 0.00 O ATOM 325 CG2 THR A 23 3.659 11.764 -9.828 1.00 0.00 C ATOM 0 H THR A 23 1.470 10.910 -9.051 1.00 0.00 H new ATOM 0 HA THR A 23 0.801 11.888 -11.747 1.00 0.00 H new ATOM 0 HB THR A 23 2.491 13.271 -10.791 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.337 12.723 -12.125 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.554 12.383 -9.770 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.102 11.843 -8.894 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.946 10.725 -9.993 1.00 0.00 H new ATOM 333 N GLU A 24 2.129 9.055 -10.814 1.00 0.00 N ATOM 334 CA GLU A 24 2.487 7.712 -11.254 1.00 0.00 C ATOM 335 C GLU A 24 1.816 6.657 -10.380 1.00 0.00 C ATOM 336 O GLU A 24 2.420 6.134 -9.445 1.00 0.00 O ATOM 337 CB GLU A 24 4.005 7.527 -11.220 1.00 0.00 C ATOM 338 CG GLU A 24 4.737 8.297 -12.307 1.00 0.00 C ATOM 339 CD GLU A 24 6.172 7.840 -12.481 1.00 0.00 C ATOM 340 OE1 GLU A 24 6.631 7.007 -11.671 1.00 0.00 O ATOM 341 OE2 GLU A 24 6.837 8.316 -13.425 1.00 0.00 O ATOM 0 H GLU A 24 2.096 9.173 -9.801 1.00 0.00 H new ATOM 0 HA GLU A 24 2.136 7.588 -12.279 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.379 7.844 -10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.236 6.466 -11.320 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.205 8.179 -13.251 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.725 9.360 -12.065 1.00 0.00 H new ATOM 348 N GLY A 25 0.560 6.349 -10.692 1.00 0.00 N ATOM 349 CA GLY A 25 -0.173 5.358 -9.926 1.00 0.00 C ATOM 350 C GLY A 25 0.313 3.947 -10.187 1.00 0.00 C ATOM 351 O GLY A 25 0.954 3.681 -11.205 1.00 0.00 O ATOM 0 H GLY A 25 0.038 6.768 -11.461 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.077 5.581 -8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.233 5.425 -10.171 1.00 0.00 H new ATOM 355 N LEU A 26 0.010 3.039 -9.266 1.00 0.00 N ATOM 356 CA LEU A 26 0.422 1.646 -9.400 1.00 0.00 C ATOM 357 C LEU A 26 0.002 1.081 -10.754 1.00 0.00 C ATOM 358 O LEU A 26 -0.912 1.598 -11.396 1.00 0.00 O ATOM 359 CB LEU A 26 -0.181 0.804 -8.275 1.00 0.00 C ATOM 360 CG LEU A 26 0.093 1.291 -6.851 1.00 0.00 C ATOM 361 CD1 LEU A 26 -0.934 0.722 -5.885 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.502 0.912 -6.420 1.00 0.00 C ATOM 0 H LEU A 26 -0.520 3.242 -8.418 1.00 0.00 H new ATOM 0 HA LEU A 26 1.509 1.607 -9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.260 0.759 -8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.196 -0.214 -8.368 1.00 0.00 H new ATOM 0 HG LEU A 26 0.010 2.378 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.723 1.079 -4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.932 1.045 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.885 -0.367 -5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.680 1.266 -5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.613 -0.172 -6.451 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.225 1.370 -7.096 1.00 0.00 H new ATOM 374 N ARG A 27 0.675 0.017 -11.180 1.00 0.00 N ATOM 375 CA ARG A 27 0.371 -0.618 -12.457 1.00 0.00 C ATOM 376 C ARG A 27 0.293 -2.134 -12.304 1.00 0.00 C ATOM 377 O ARG A 27 0.733 -2.690 -11.300 1.00 0.00 O ATOM 378 CB ARG A 27 1.431 -0.253 -13.498 1.00 0.00 C ATOM 379 CG ARG A 27 2.833 -0.704 -13.123 1.00 0.00 C ATOM 380 CD ARG A 27 3.781 0.478 -12.990 1.00 0.00 C ATOM 381 NE ARG A 27 4.260 0.943 -14.289 1.00 0.00 N ATOM 382 CZ ARG A 27 4.817 2.133 -14.483 1.00 0.00 C ATOM 383 NH1 ARG A 27 4.966 2.973 -13.468 1.00 0.00 N ATOM 384 NH2 ARG A 27 5.228 2.485 -15.695 1.00 0.00 N ATOM 0 H ARG A 27 1.434 -0.423 -10.660 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.599 -0.253 -12.794 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.158 -0.700 -14.454 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.432 0.828 -13.640 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.800 -1.253 -12.182 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.210 -1.391 -13.880 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.273 1.295 -12.477 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.631 0.193 -12.371 1.00 0.00 H new ATOM 0 HE ARG A 27 4.161 0.320 -15.091 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.652 2.706 -12.535 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.394 3.886 -13.620 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.116 1.841 -16.478 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.656 3.399 -15.843 1.00 0.00 H new ATOM 398 N ASN A 28 -0.272 -2.796 -13.309 1.00 0.00 N ATOM 399 CA ASN A 28 -0.409 -4.248 -13.287 1.00 0.00 C ATOM 400 C ASN A 28 0.956 -4.922 -13.185 1.00 0.00 C ATOM 401 O ASN A 28 1.792 -4.788 -14.078 1.00 0.00 O ATOM 402 CB ASN A 28 -1.137 -4.732 -14.542 1.00 0.00 C ATOM 403 CG ASN A 28 -2.416 -3.959 -14.803 1.00 0.00 C ATOM 404 OD1 ASN A 28 -3.075 -3.495 -13.873 1.00 0.00 O ATOM 405 ND2 ASN A 28 -2.772 -3.818 -16.075 1.00 0.00 N ATOM 0 H ASN A 28 -0.642 -2.350 -14.148 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.995 -4.519 -12.409 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.475 -4.635 -15.403 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.371 -5.791 -14.437 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.623 -3.308 -16.313 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.195 -4.220 -16.814 1.00 0.00 H new ATOM 412 N GLU A 29 1.173 -5.646 -12.091 1.00 0.00 N ATOM 413 CA GLU A 29 2.436 -6.340 -11.874 1.00 0.00 C ATOM 414 C GLU A 29 2.225 -7.850 -11.817 1.00 0.00 C ATOM 415 O GLU A 29 1.163 -8.323 -11.411 1.00 0.00 O ATOM 416 CB GLU A 29 3.093 -5.857 -10.579 1.00 0.00 C ATOM 417 CG GLU A 29 4.378 -5.077 -10.803 1.00 0.00 C ATOM 418 CD GLU A 29 4.713 -4.160 -9.643 1.00 0.00 C ATOM 419 OE1 GLU A 29 5.074 -4.676 -8.564 1.00 0.00 O ATOM 420 OE2 GLU A 29 4.615 -2.927 -9.813 1.00 0.00 O ATOM 0 H GLU A 29 0.491 -5.767 -11.342 1.00 0.00 H new ATOM 0 HA GLU A 29 3.094 -6.114 -12.713 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.387 -5.229 -10.035 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.306 -6.719 -9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.200 -5.775 -10.958 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.286 -4.486 -11.714 1.00 0.00 H new ATOM 427 N GLU A 30 3.243 -8.601 -12.226 1.00 0.00 N ATOM 428 CA GLU A 30 3.167 -10.057 -12.223 1.00 0.00 C ATOM 429 C GLU A 30 4.484 -10.669 -11.754 1.00 0.00 C ATOM 430 O GLU A 30 5.538 -10.426 -12.342 1.00 0.00 O ATOM 431 CB GLU A 30 2.820 -10.575 -13.620 1.00 0.00 C ATOM 432 CG GLU A 30 2.762 -12.091 -13.710 1.00 0.00 C ATOM 433 CD GLU A 30 2.377 -12.579 -15.093 1.00 0.00 C ATOM 434 OE1 GLU A 30 3.015 -12.144 -16.075 1.00 0.00 O ATOM 435 OE2 GLU A 30 1.439 -13.396 -15.194 1.00 0.00 O ATOM 0 H GLU A 30 4.129 -8.225 -12.563 1.00 0.00 H new ATOM 0 HA GLU A 30 2.381 -10.353 -11.529 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.856 -10.164 -13.922 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.560 -10.205 -14.330 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.734 -12.505 -13.440 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.042 -12.467 -12.983 1.00 0.00 H new ATOM 442 N ALA A 31 4.416 -11.463 -10.691 1.00 0.00 N ATOM 443 CA ALA A 31 5.601 -12.111 -10.144 1.00 0.00 C ATOM 444 C ALA A 31 5.429 -13.626 -10.101 1.00 0.00 C ATOM 445 O ALA A 31 4.331 -14.143 -10.312 1.00 0.00 O ATOM 446 CB ALA A 31 5.903 -11.573 -8.753 1.00 0.00 C ATOM 0 H ALA A 31 3.552 -11.673 -10.191 1.00 0.00 H new ATOM 0 HA ALA A 31 6.442 -11.886 -10.800 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.791 -12.066 -8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.079 -10.499 -8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.056 -11.768 -8.096 1.00 0.00 H new ATOM 452 N THR A 32 6.520 -14.334 -9.827 1.00 0.00 N ATOM 453 CA THR A 32 6.490 -15.789 -9.758 1.00 0.00 C ATOM 454 C THR A 32 6.455 -16.271 -8.312 1.00 0.00 C ATOM 455 O THR A 32 6.956 -15.597 -7.412 1.00 0.00 O ATOM 456 CB THR A 32 7.709 -16.411 -10.465 1.00 0.00 C ATOM 457 OG1 THR A 32 7.871 -15.829 -11.764 1.00 0.00 O ATOM 458 CG2 THR A 32 7.549 -17.918 -10.595 1.00 0.00 C ATOM 0 H THR A 32 7.436 -13.922 -9.649 1.00 0.00 H new ATOM 0 HA THR A 32 5.581 -16.110 -10.267 1.00 0.00 H new ATOM 0 HB THR A 32 8.594 -16.207 -9.863 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.649 -16.228 -12.207 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.422 -18.335 -11.097 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.455 -18.361 -9.603 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.655 -18.140 -11.178 1.00 0.00 H new ATOM 466 N GLU A 33 5.862 -17.441 -8.097 1.00 0.00 N ATOM 467 CA GLU A 33 5.763 -18.012 -6.759 1.00 0.00 C ATOM 468 C GLU A 33 7.140 -18.118 -6.110 1.00 0.00 C ATOM 469 O GLU A 33 8.077 -18.653 -6.701 1.00 0.00 O ATOM 470 CB GLU A 33 5.106 -19.392 -6.816 1.00 0.00 C ATOM 471 CG GLU A 33 3.854 -19.506 -5.963 1.00 0.00 C ATOM 472 CD GLU A 33 3.466 -20.946 -5.686 1.00 0.00 C ATOM 473 OE1 GLU A 33 4.377 -21.778 -5.491 1.00 0.00 O ATOM 474 OE2 GLU A 33 2.253 -21.240 -5.664 1.00 0.00 O ATOM 0 H GLU A 33 5.443 -18.012 -8.832 1.00 0.00 H new ATOM 0 HA GLU A 33 5.145 -17.349 -6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.852 -19.622 -7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.827 -20.142 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.015 -18.989 -5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.029 -19.002 -6.466 1.00 0.00 H new ATOM 481 N GLY A 34 7.254 -17.604 -4.889 1.00 0.00 N ATOM 482 CA GLY A 34 8.519 -17.651 -4.179 1.00 0.00 C ATOM 483 C GLY A 34 9.358 -16.409 -4.408 1.00 0.00 C ATOM 484 O GLY A 34 10.262 -16.110 -3.627 1.00 0.00 O ATOM 0 H GLY A 34 6.493 -17.156 -4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.329 -17.766 -3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.080 -18.529 -4.500 1.00 0.00 H new ATOM 488 N ALA A 35 9.060 -15.685 -5.481 1.00 0.00 N ATOM 489 CA ALA A 35 9.793 -14.469 -5.810 1.00 0.00 C ATOM 490 C ALA A 35 9.414 -13.328 -4.871 1.00 0.00 C ATOM 491 O ALA A 35 8.651 -13.518 -3.924 1.00 0.00 O ATOM 492 CB ALA A 35 9.536 -14.072 -7.256 1.00 0.00 C ATOM 0 H ALA A 35 8.316 -15.919 -6.138 1.00 0.00 H new ATOM 0 HA ALA A 35 10.857 -14.671 -5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.090 -13.162 -7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.863 -14.874 -7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.470 -13.895 -7.401 1.00 0.00 H new ATOM 498 N THR A 36 9.953 -12.143 -5.140 1.00 0.00 N ATOM 499 CA THR A 36 9.672 -10.972 -4.318 1.00 0.00 C ATOM 500 C THR A 36 9.042 -9.858 -5.145 1.00 0.00 C ATOM 501 O THR A 36 9.618 -9.405 -6.134 1.00 0.00 O ATOM 502 CB THR A 36 10.951 -10.438 -3.646 1.00 0.00 C ATOM 503 OG1 THR A 36 11.579 -11.479 -2.890 1.00 0.00 O ATOM 504 CG2 THR A 36 10.633 -9.263 -2.734 1.00 0.00 C ATOM 0 H THR A 36 10.586 -11.969 -5.920 1.00 0.00 H new ATOM 0 HA THR A 36 8.970 -11.288 -3.546 1.00 0.00 H new ATOM 0 HB THR A 36 11.630 -10.097 -4.428 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.392 -11.132 -2.468 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.552 -8.903 -2.271 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.183 -8.461 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.937 -9.582 -1.959 1.00 0.00 H new ATOM 512 N ALA A 37 7.857 -9.419 -4.734 1.00 0.00 N ATOM 513 CA ALA A 37 7.150 -8.355 -5.437 1.00 0.00 C ATOM 514 C ALA A 37 7.341 -7.014 -4.736 1.00 0.00 C ATOM 515 O ALA A 37 7.297 -6.932 -3.508 1.00 0.00 O ATOM 516 CB ALA A 37 5.670 -8.689 -5.548 1.00 0.00 C ATOM 0 H ALA A 37 7.366 -9.784 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 37 7.569 -8.274 -6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.154 -7.886 -6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.548 -9.622 -6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.246 -8.799 -4.550 1.00 0.00 H new ATOM 522 N VAL A 38 7.552 -5.965 -5.524 1.00 0.00 N ATOM 523 CA VAL A 38 7.749 -4.627 -4.979 1.00 0.00 C ATOM 524 C VAL A 38 6.971 -3.588 -5.778 1.00 0.00 C ATOM 525 O VAL A 38 7.360 -3.224 -6.889 1.00 0.00 O ATOM 526 CB VAL A 38 9.240 -4.239 -4.968 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.428 -2.861 -4.353 1.00 0.00 C ATOM 528 CG2 VAL A 38 10.056 -5.282 -4.220 1.00 0.00 C ATOM 0 H VAL A 38 7.591 -6.016 -6.542 1.00 0.00 H new ATOM 0 HA VAL A 38 7.378 -4.645 -3.954 1.00 0.00 H new ATOM 0 HB VAL A 38 9.596 -4.203 -5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.487 -2.604 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.875 -2.124 -4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.057 -2.866 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.107 -4.992 -4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.701 -5.353 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.946 -6.250 -4.709 1.00 0.00 H new ATOM 538 N LEU A 39 5.870 -3.113 -5.207 1.00 0.00 N ATOM 539 CA LEU A 39 5.035 -2.115 -5.866 1.00 0.00 C ATOM 540 C LEU A 39 5.446 -0.705 -5.454 1.00 0.00 C ATOM 541 O LEU A 39 5.360 -0.339 -4.282 1.00 0.00 O ATOM 542 CB LEU A 39 3.562 -2.348 -5.527 1.00 0.00 C ATOM 543 CG LEU A 39 2.934 -3.618 -6.102 1.00 0.00 C ATOM 544 CD1 LEU A 39 2.000 -4.259 -5.087 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.190 -3.307 -7.393 1.00 0.00 C ATOM 0 H LEU A 39 5.534 -3.403 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 39 5.173 -2.215 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.459 -2.375 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.989 -1.491 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 39 3.732 -4.325 -6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.563 -5.161 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.561 -4.518 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.206 -3.558 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.749 -4.222 -7.788 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.401 -2.582 -7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.886 -2.894 -8.124 1.00 0.00 H new ATOM 557 N ARG A 40 5.891 0.084 -6.427 1.00 0.00 N ATOM 558 CA ARG A 40 6.315 1.455 -6.166 1.00 0.00 C ATOM 559 C ARG A 40 5.415 2.449 -6.893 1.00 0.00 C ATOM 560 O ARG A 40 4.736 2.097 -7.858 1.00 0.00 O ATOM 561 CB ARG A 40 7.768 1.653 -6.599 1.00 0.00 C ATOM 562 CG ARG A 40 8.753 0.772 -5.849 1.00 0.00 C ATOM 563 CD ARG A 40 9.817 0.209 -6.778 1.00 0.00 C ATOM 564 NE ARG A 40 9.309 -0.899 -7.583 1.00 0.00 N ATOM 565 CZ ARG A 40 10.033 -1.535 -8.498 1.00 0.00 C ATOM 566 NH1 ARG A 40 11.289 -1.175 -8.721 1.00 0.00 N ATOM 567 NH2 ARG A 40 9.501 -2.534 -9.190 1.00 0.00 N ATOM 0 H ARG A 40 5.967 -0.202 -7.403 1.00 0.00 H new ATOM 0 HA ARG A 40 6.236 1.636 -5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.851 1.449 -7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.043 2.697 -6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.229 1.350 -5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.218 -0.047 -5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.179 0.999 -7.436 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.669 -0.131 -6.190 1.00 0.00 H new ATOM 0 HE ARG A 40 8.346 -1.201 -7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.702 -0.408 -8.190 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.843 -1.665 -9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.535 -2.815 -9.020 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.058 -3.021 -9.892 1.00 0.00 H new ATOM 581 N CYS A 41 5.416 3.692 -6.424 1.00 0.00 N ATOM 582 CA CYS A 41 4.598 4.738 -7.029 1.00 0.00 C ATOM 583 C CYS A 41 5.154 6.120 -6.702 1.00 0.00 C ATOM 584 O CYS A 41 5.793 6.313 -5.668 1.00 0.00 O ATOM 585 CB CYS A 41 3.152 4.629 -6.545 1.00 0.00 C ATOM 586 SG CYS A 41 2.975 4.624 -4.745 1.00 0.00 S ATOM 0 H CYS A 41 5.974 4.000 -5.627 1.00 0.00 H new ATOM 0 HA CYS A 41 4.622 4.603 -8.110 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.580 5.462 -6.953 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.714 3.715 -6.945 1.00 0.00 H new ATOM 0 HG CYS A 41 3.790 5.494 -4.226 1.00 0.00 H new ATOM 592 N GLU A 42 4.908 7.077 -7.591 1.00 0.00 N ATOM 593 CA GLU A 42 5.387 8.441 -7.397 1.00 0.00 C ATOM 594 C GLU A 42 4.224 9.394 -7.135 1.00 0.00 C ATOM 595 O GLU A 42 3.145 9.248 -7.711 1.00 0.00 O ATOM 596 CB GLU A 42 6.177 8.907 -8.621 1.00 0.00 C ATOM 597 CG GLU A 42 7.179 10.008 -8.316 1.00 0.00 C ATOM 598 CD GLU A 42 7.737 10.652 -9.570 1.00 0.00 C ATOM 599 OE1 GLU A 42 6.985 11.388 -10.244 1.00 0.00 O ATOM 600 OE2 GLU A 42 8.925 10.421 -9.878 1.00 0.00 O ATOM 0 H GLU A 42 4.380 6.933 -8.452 1.00 0.00 H new ATOM 0 HA GLU A 42 6.043 8.448 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.705 8.055 -9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.479 9.262 -9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.699 10.771 -7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.999 9.595 -7.728 1.00 0.00 H new ATOM 607 N LEU A 43 4.451 10.369 -6.262 1.00 0.00 N ATOM 608 CA LEU A 43 3.423 11.347 -5.923 1.00 0.00 C ATOM 609 C LEU A 43 3.849 12.751 -6.337 1.00 0.00 C ATOM 610 O LEU A 43 5.038 13.067 -6.363 1.00 0.00 O ATOM 611 CB LEU A 43 3.133 11.311 -4.421 1.00 0.00 C ATOM 612 CG LEU A 43 2.175 10.217 -3.948 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.405 9.904 -2.478 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.730 10.633 -4.187 1.00 0.00 C ATOM 0 H LEU A 43 5.338 10.504 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 43 2.516 11.088 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.078 11.192 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.723 12.277 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 43 2.373 9.314 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.714 9.123 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.430 9.562 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.236 10.802 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.062 9.842 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.519 11.550 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.572 10.805 -5.252 1.00 0.00 H new ATOM 626 N SER A 44 2.870 13.591 -6.657 1.00 0.00 N ATOM 627 CA SER A 44 3.144 14.963 -7.070 1.00 0.00 C ATOM 628 C SER A 44 3.774 15.758 -5.932 1.00 0.00 C ATOM 629 O SER A 44 4.509 16.719 -6.162 1.00 0.00 O ATOM 630 CB SER A 44 1.855 15.645 -7.532 1.00 0.00 C ATOM 631 OG SER A 44 1.977 17.056 -7.477 1.00 0.00 O ATOM 0 H SER A 44 1.880 13.346 -6.638 1.00 0.00 H new ATOM 0 HA SER A 44 3.849 14.932 -7.901 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.622 15.336 -8.551 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.024 15.324 -6.904 1.00 0.00 H new ATOM 0 HG SER A 44 1.141 17.469 -7.779 1.00 0.00 H new ATOM 637 N LYS A 45 3.482 15.350 -4.701 1.00 0.00 N ATOM 638 CA LYS A 45 4.020 16.022 -3.524 1.00 0.00 C ATOM 639 C LYS A 45 4.077 15.071 -2.333 1.00 0.00 C ATOM 640 O LYS A 45 3.173 14.261 -2.130 1.00 0.00 O ATOM 641 CB LYS A 45 3.167 17.244 -3.174 1.00 0.00 C ATOM 642 CG LYS A 45 3.619 17.961 -1.914 1.00 0.00 C ATOM 643 CD LYS A 45 2.920 19.300 -1.753 1.00 0.00 C ATOM 644 CE LYS A 45 2.804 19.696 -0.289 1.00 0.00 C ATOM 645 NZ LYS A 45 2.254 21.071 -0.128 1.00 0.00 N ATOM 0 H LYS A 45 2.875 14.557 -4.493 1.00 0.00 H new ATOM 0 HA LYS A 45 5.034 16.348 -3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.191 17.944 -4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.131 16.930 -3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.414 17.336 -1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.698 18.114 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.472 20.067 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.926 19.248 -2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.161 18.985 0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.786 19.640 0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.191 21.303 0.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.880 21.753 -0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.306 21.118 -0.554 1.00 0.00 H new ATOM 659 N MET A 46 5.144 15.176 -1.548 1.00 0.00 N ATOM 660 CA MET A 46 5.317 14.327 -0.376 1.00 0.00 C ATOM 661 C MET A 46 4.091 14.395 0.530 1.00 0.00 C ATOM 662 O MET A 46 3.598 15.478 0.842 1.00 0.00 O ATOM 663 CB MET A 46 6.565 14.744 0.404 1.00 0.00 C ATOM 664 CG MET A 46 6.828 13.889 1.633 1.00 0.00 C ATOM 665 SD MET A 46 7.284 14.870 3.076 1.00 0.00 S ATOM 666 CE MET A 46 8.922 15.422 2.607 1.00 0.00 C ATOM 0 H MET A 46 5.902 15.841 -1.703 1.00 0.00 H new ATOM 0 HA MET A 46 5.438 13.299 -0.718 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.430 14.692 -0.257 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.461 15.785 0.711 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.937 13.305 1.862 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.626 13.180 1.414 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.338 16.042 3.401 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.566 14.557 2.447 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.861 16.003 1.687 1.00 0.00 H new ATOM 676 N ALA A 47 3.605 13.231 0.948 1.00 0.00 N ATOM 677 CA ALA A 47 2.438 13.159 1.819 1.00 0.00 C ATOM 678 C ALA A 47 2.205 11.734 2.309 1.00 0.00 C ATOM 679 O ALA A 47 2.692 10.764 1.727 1.00 0.00 O ATOM 680 CB ALA A 47 1.205 13.678 1.094 1.00 0.00 C ATOM 0 H ALA A 47 4.001 12.325 0.698 1.00 0.00 H new ATOM 0 HA ALA A 47 2.626 13.788 2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.341 13.618 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.366 14.715 0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.024 13.073 0.206 1.00 0.00 H new ATOM 686 N PRO A 48 1.444 11.601 3.405 1.00 0.00 N ATOM 687 CA PRO A 48 1.130 10.297 3.997 1.00 0.00 C ATOM 688 C PRO A 48 0.188 9.476 3.123 1.00 0.00 C ATOM 689 O PRO A 48 -0.790 9.997 2.586 1.00 0.00 O ATOM 690 CB PRO A 48 0.450 10.662 5.319 1.00 0.00 C ATOM 691 CG PRO A 48 -0.117 12.021 5.091 1.00 0.00 C ATOM 692 CD PRO A 48 0.830 12.713 4.150 1.00 0.00 C ATOM 0 HA PRO A 48 2.020 9.678 4.116 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.331 9.945 5.574 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.163 10.664 6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.117 11.959 4.662 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.205 12.569 6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.306 13.401 3.486 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.577 13.297 4.688 1.00 0.00 H new ATOM 700 N VAL A 49 0.488 8.188 2.986 1.00 0.00 N ATOM 701 CA VAL A 49 -0.334 7.294 2.179 1.00 0.00 C ATOM 702 C VAL A 49 -0.728 6.049 2.966 1.00 0.00 C ATOM 703 O VAL A 49 -0.137 5.745 4.001 1.00 0.00 O ATOM 704 CB VAL A 49 0.400 6.864 0.894 1.00 0.00 C ATOM 705 CG1 VAL A 49 0.685 8.071 0.013 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.686 6.128 1.236 1.00 0.00 C ATOM 0 H VAL A 49 1.294 7.741 3.423 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.232 7.849 1.908 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.245 6.183 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.204 7.748 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.254 8.552 -0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.310 8.779 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.191 5.832 0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.338 6.784 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.452 5.240 1.824 1.00 0.00 H new ATOM 716 N GLU A 50 -1.730 5.332 2.467 1.00 0.00 N ATOM 717 CA GLU A 50 -2.203 4.120 3.124 1.00 0.00 C ATOM 718 C GLU A 50 -2.483 3.021 2.103 1.00 0.00 C ATOM 719 O GLU A 50 -3.226 3.225 1.144 1.00 0.00 O ATOM 720 CB GLU A 50 -3.468 4.412 3.934 1.00 0.00 C ATOM 721 CG GLU A 50 -3.247 5.391 5.075 1.00 0.00 C ATOM 722 CD GLU A 50 -4.241 6.536 5.062 1.00 0.00 C ATOM 723 OE1 GLU A 50 -4.012 7.511 4.316 1.00 0.00 O ATOM 724 OE2 GLU A 50 -5.247 6.457 5.798 1.00 0.00 O ATOM 0 H GLU A 50 -2.230 5.570 1.610 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.420 3.775 3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.232 4.811 3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.854 3.477 4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.322 4.860 6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.235 5.792 5.014 1.00 0.00 H new ATOM 731 N TRP A 51 -1.881 1.856 2.317 1.00 0.00 N ATOM 732 CA TRP A 51 -2.065 0.724 1.415 1.00 0.00 C ATOM 733 C TRP A 51 -3.224 -0.153 1.873 1.00 0.00 C ATOM 734 O TRP A 51 -3.181 -0.742 2.953 1.00 0.00 O ATOM 735 CB TRP A 51 -0.782 -0.105 1.337 1.00 0.00 C ATOM 736 CG TRP A 51 0.396 0.671 0.829 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.151 1.568 1.530 1.00 0.00 C ATOM 738 CD2 TRP A 51 0.953 0.619 -0.489 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.143 2.077 0.727 1.00 0.00 N ATOM 740 CE2 TRP A 51 2.044 1.510 -0.516 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.638 -0.096 -1.648 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.817 1.705 -1.657 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.407 0.099 -2.780 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.486 0.993 -2.778 1.00 0.00 C ATOM 0 H TRP A 51 -1.262 1.671 3.106 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.298 1.114 0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.550 -0.497 2.327 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -0.951 -0.963 0.686 1.00 0.00 H new ATOM 0 HD1 TRP A 51 0.992 1.838 2.564 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.840 2.765 1.011 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.191 -0.788 -1.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.649 2.394 -1.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.172 -0.447 -3.682 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.068 1.123 -3.679 1.00 0.00 H new ATOM 755 N TRP A 52 -4.259 -0.237 1.045 1.00 0.00 N ATOM 756 CA TRP A 52 -5.431 -1.044 1.365 1.00 0.00 C ATOM 757 C TRP A 52 -5.562 -2.219 0.403 1.00 0.00 C ATOM 758 O TRP A 52 -5.092 -2.160 -0.734 1.00 0.00 O ATOM 759 CB TRP A 52 -6.696 -0.185 1.316 1.00 0.00 C ATOM 760 CG TRP A 52 -6.783 0.809 2.435 1.00 0.00 C ATOM 761 CD1 TRP A 52 -6.049 1.952 2.573 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.651 0.747 3.571 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.409 2.605 3.728 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.390 1.886 4.358 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.624 -0.160 4.001 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.067 2.140 5.547 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.295 0.094 5.182 1.00 0.00 C ATOM 768 CH2 TRP A 52 -9.015 1.236 5.944 1.00 0.00 C ATOM 0 H TRP A 52 -4.311 0.244 0.147 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.306 -1.437 2.374 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.729 0.346 0.365 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.570 -0.836 1.349 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.297 2.293 1.877 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.010 3.483 4.062 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.847 -1.043 3.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.852 3.019 6.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.049 -0.600 5.524 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.558 1.406 6.862 1.00 0.00 H new ATOM 779 N LYS A 53 -6.204 -3.288 0.864 1.00 0.00 N ATOM 780 CA LYS A 53 -6.399 -4.477 0.044 1.00 0.00 C ATOM 781 C LYS A 53 -7.840 -4.968 0.131 1.00 0.00 C ATOM 782 O LYS A 53 -8.207 -5.687 1.059 1.00 0.00 O ATOM 783 CB LYS A 53 -5.443 -5.588 0.486 1.00 0.00 C ATOM 784 CG LYS A 53 -5.313 -6.715 -0.524 1.00 0.00 C ATOM 785 CD LYS A 53 -4.946 -8.027 0.149 1.00 0.00 C ATOM 786 CE LYS A 53 -4.201 -8.952 -0.801 1.00 0.00 C ATOM 787 NZ LYS A 53 -3.764 -10.206 -0.127 1.00 0.00 N ATOM 0 H LYS A 53 -6.598 -3.354 1.802 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.186 -4.213 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.458 -5.158 0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.790 -5.999 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.253 -6.832 -1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.553 -6.458 -1.261 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.327 -7.828 1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.851 -8.520 0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.844 -9.199 -1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.331 -8.434 -1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.786 -10.992 -0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.796 -10.087 0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.405 -10.416 0.665 1.00 0.00 H new ATOM 801 N GLY A 54 -8.654 -4.575 -0.844 1.00 0.00 N ATOM 802 CA GLY A 54 -10.046 -4.985 -0.859 1.00 0.00 C ATOM 803 C GLY A 54 -10.898 -4.182 0.103 1.00 0.00 C ATOM 804 O GLY A 54 -11.600 -3.255 -0.303 1.00 0.00 O ATOM 0 H GLY A 54 -8.374 -3.980 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.443 -4.876 -1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.113 -6.042 -0.603 1.00 0.00 H new ATOM 808 N HIS A 55 -10.839 -4.537 1.382 1.00 0.00 N ATOM 809 CA HIS A 55 -11.613 -3.843 2.405 1.00 0.00 C ATOM 810 C HIS A 55 -10.894 -3.883 3.751 1.00 0.00 C ATOM 811 O HIS A 55 -11.528 -3.836 4.804 1.00 0.00 O ATOM 812 CB HIS A 55 -13.002 -4.469 2.537 1.00 0.00 C ATOM 813 CG HIS A 55 -14.041 -3.517 3.045 1.00 0.00 C ATOM 814 ND1 HIS A 55 -14.794 -2.713 2.216 1.00 0.00 N ATOM 815 CD2 HIS A 55 -14.453 -3.247 4.305 1.00 0.00 C ATOM 816 CE1 HIS A 55 -15.623 -1.986 2.945 1.00 0.00 C ATOM 817 NE2 HIS A 55 -15.436 -2.292 4.217 1.00 0.00 N ATOM 0 H HIS A 55 -10.263 -5.301 1.735 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.720 -2.802 2.100 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -13.314 -4.850 1.565 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.944 -5.324 3.210 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.078 -3.699 5.212 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -16.332 -1.265 2.566 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -15.940 -1.885 5.005 1.00 0.00 H new ATOM 825 N GLU A 56 -9.569 -3.972 3.706 1.00 0.00 N ATOM 826 CA GLU A 56 -8.765 -4.020 4.922 1.00 0.00 C ATOM 827 C GLU A 56 -7.429 -3.311 4.720 1.00 0.00 C ATOM 828 O GLU A 56 -6.963 -3.148 3.591 1.00 0.00 O ATOM 829 CB GLU A 56 -8.527 -5.471 5.344 1.00 0.00 C ATOM 830 CG GLU A 56 -8.004 -5.613 6.764 1.00 0.00 C ATOM 831 CD GLU A 56 -8.358 -6.951 7.385 1.00 0.00 C ATOM 832 OE1 GLU A 56 -9.450 -7.476 7.081 1.00 0.00 O ATOM 833 OE2 GLU A 56 -7.544 -7.472 8.175 1.00 0.00 O ATOM 0 H GLU A 56 -9.029 -4.012 2.841 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.313 -3.505 5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.461 -6.025 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.816 -5.929 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.921 -5.493 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.412 -4.811 7.380 1.00 0.00 H new ATOM 840 N THR A 57 -6.817 -2.890 5.822 1.00 0.00 N ATOM 841 CA THR A 57 -5.535 -2.198 5.767 1.00 0.00 C ATOM 842 C THR A 57 -4.376 -3.169 5.957 1.00 0.00 C ATOM 843 O THR A 57 -4.480 -4.134 6.716 1.00 0.00 O ATOM 844 CB THR A 57 -5.447 -1.095 6.839 1.00 0.00 C ATOM 845 OG1 THR A 57 -6.740 -0.860 7.409 1.00 0.00 O ATOM 846 CG2 THR A 57 -4.908 0.197 6.243 1.00 0.00 C ATOM 0 H THR A 57 -7.188 -3.016 6.764 1.00 0.00 H new ATOM 0 HA THR A 57 -5.464 -1.742 4.779 1.00 0.00 H new ATOM 0 HB THR A 57 -4.763 -1.431 7.618 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.278 -0.324 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.855 0.961 7.019 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.912 0.022 5.837 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.571 0.534 5.446 1.00 0.00 H new ATOM 854 N LEU A 58 -3.273 -2.909 5.265 1.00 0.00 N ATOM 855 CA LEU A 58 -2.093 -3.761 5.358 1.00 0.00 C ATOM 856 C LEU A 58 -1.149 -3.267 6.450 1.00 0.00 C ATOM 857 O LEU A 58 -1.223 -2.113 6.872 1.00 0.00 O ATOM 858 CB LEU A 58 -1.361 -3.801 4.015 1.00 0.00 C ATOM 859 CG LEU A 58 -2.216 -4.141 2.794 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.446 -3.871 1.511 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.671 -5.592 2.850 1.00 0.00 C ATOM 0 H LEU A 58 -3.171 -2.115 4.633 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.422 -4.768 5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.896 -2.829 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.556 -4.532 4.085 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.100 -3.503 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.071 -4.119 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.170 -2.817 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.544 -4.483 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.278 -5.817 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.799 -6.246 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.262 -5.754 3.752 1.00 0.00 H new ATOM 873 N ARG A 59 -0.262 -4.147 6.901 1.00 0.00 N ATOM 874 CA ARG A 59 0.697 -3.800 7.943 1.00 0.00 C ATOM 875 C ARG A 59 2.128 -3.955 7.438 1.00 0.00 C ATOM 876 O ARG A 59 2.358 -4.457 6.338 1.00 0.00 O ATOM 877 CB ARG A 59 0.482 -4.679 9.177 1.00 0.00 C ATOM 878 CG ARG A 59 -0.660 -4.213 10.065 1.00 0.00 C ATOM 879 CD ARG A 59 -0.321 -2.908 10.770 1.00 0.00 C ATOM 880 NE ARG A 59 -0.700 -2.933 12.180 1.00 0.00 N ATOM 881 CZ ARG A 59 -0.647 -1.870 12.974 1.00 0.00 C ATOM 882 NH1 ARG A 59 -0.234 -0.703 12.499 1.00 0.00 N ATOM 883 NH2 ARG A 59 -1.008 -1.972 14.247 1.00 0.00 N ATOM 0 H ARG A 59 -0.187 -5.106 6.561 1.00 0.00 H new ATOM 0 HA ARG A 59 0.537 -2.757 8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.286 -5.702 8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.401 -4.700 9.762 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.559 -4.080 9.463 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.883 -4.981 10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.749 -2.718 10.686 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.832 -2.084 10.272 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.023 -3.815 12.577 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.044 -0.620 11.521 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.194 0.112 13.111 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.327 -2.868 14.617 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.967 -1.155 14.856 1.00 0.00 H new ATOM 897 N ASP A 60 3.086 -3.521 8.249 1.00 0.00 N ATOM 898 CA ASP A 60 4.496 -3.612 7.886 1.00 0.00 C ATOM 899 C ASP A 60 5.249 -4.521 8.851 1.00 0.00 C ATOM 900 O ASP A 60 4.997 -4.509 10.056 1.00 0.00 O ATOM 901 CB ASP A 60 5.132 -2.221 7.874 1.00 0.00 C ATOM 902 CG ASP A 60 5.114 -1.564 9.240 1.00 0.00 C ATOM 903 OD1 ASP A 60 4.008 -1.317 9.764 1.00 0.00 O ATOM 904 OD2 ASP A 60 6.205 -1.297 9.785 1.00 0.00 O ATOM 0 H ASP A 60 2.912 -3.102 9.163 1.00 0.00 H new ATOM 0 HA ASP A 60 4.561 -4.042 6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.162 -2.299 7.525 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.601 -1.588 7.163 1.00 0.00 H new ATOM 909 N GLY A 61 6.174 -5.310 8.314 1.00 0.00 N ATOM 910 CA GLY A 61 6.948 -6.216 9.142 1.00 0.00 C ATOM 911 C GLY A 61 6.490 -7.655 9.013 1.00 0.00 C ATOM 912 O GLY A 61 5.527 -7.946 8.303 1.00 0.00 O ATOM 0 H GLY A 61 6.401 -5.338 7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.000 -6.147 8.865 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.871 -5.906 10.184 1.00 0.00 H new ATOM 916 N ASP A 62 7.181 -8.558 9.700 1.00 0.00 N ATOM 917 CA ASP A 62 6.840 -9.976 9.658 1.00 0.00 C ATOM 918 C ASP A 62 7.149 -10.569 8.287 1.00 0.00 C ATOM 919 O ASP A 62 8.138 -11.282 8.116 1.00 0.00 O ATOM 920 CB ASP A 62 5.362 -10.176 9.993 1.00 0.00 C ATOM 921 CG ASP A 62 5.160 -10.932 11.292 1.00 0.00 C ATOM 922 OD1 ASP A 62 5.830 -11.968 11.485 1.00 0.00 O ATOM 923 OD2 ASP A 62 4.332 -10.488 12.115 1.00 0.00 O ATOM 0 H ASP A 62 7.980 -8.334 10.293 1.00 0.00 H new ATOM 0 HA ASP A 62 7.446 -10.493 10.402 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.873 -9.204 10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.879 -10.719 9.181 1.00 0.00 H new ATOM 928 N ARG A 63 6.295 -10.270 7.313 1.00 0.00 N ATOM 929 CA ARG A 63 6.475 -10.776 5.957 1.00 0.00 C ATOM 930 C ARG A 63 6.337 -9.651 4.935 1.00 0.00 C ATOM 931 O ARG A 63 6.323 -9.894 3.728 1.00 0.00 O ATOM 932 CB ARG A 63 5.455 -11.876 5.661 1.00 0.00 C ATOM 933 CG ARG A 63 5.646 -13.127 6.503 1.00 0.00 C ATOM 934 CD ARG A 63 5.710 -14.377 5.639 1.00 0.00 C ATOM 935 NE ARG A 63 4.395 -14.989 5.465 1.00 0.00 N ATOM 936 CZ ARG A 63 3.799 -15.726 6.396 1.00 0.00 C ATOM 937 NH1 ARG A 63 4.396 -15.940 7.560 1.00 0.00 N ATOM 938 NH2 ARG A 63 2.602 -16.250 6.163 1.00 0.00 N ATOM 0 H ARG A 63 5.472 -9.680 7.438 1.00 0.00 H new ATOM 0 HA ARG A 63 7.480 -11.192 5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.452 -11.484 5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.519 -12.145 4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.563 -13.038 7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.825 -13.217 7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.124 -14.123 4.663 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.388 -15.098 6.094 1.00 0.00 H new ATOM 0 HE ARG A 63 3.908 -14.843 4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.316 -15.538 7.743 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.936 -16.506 8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.139 -16.087 5.269 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.145 -16.816 6.878 1.00 0.00 H new ATOM 952 N HIS A 64 6.236 -8.420 5.427 1.00 0.00 N ATOM 953 CA HIS A 64 6.099 -7.258 4.556 1.00 0.00 C ATOM 954 C HIS A 64 7.108 -6.177 4.931 1.00 0.00 C ATOM 955 O HIS A 64 7.625 -6.157 6.048 1.00 0.00 O ATOM 956 CB HIS A 64 4.679 -6.698 4.637 1.00 0.00 C ATOM 957 CG HIS A 64 3.636 -7.627 4.097 1.00 0.00 C ATOM 958 ND1 HIS A 64 3.413 -8.887 4.609 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.752 -7.472 3.084 1.00 0.00 C ATOM 960 CE1 HIS A 64 2.438 -9.468 3.933 1.00 0.00 C ATOM 961 NE2 HIS A 64 2.019 -8.630 3.002 1.00 0.00 N ATOM 0 H HIS A 64 6.246 -8.202 6.423 1.00 0.00 H new ATOM 0 HA HIS A 64 6.297 -7.576 3.532 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.446 -6.469 5.677 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.636 -5.758 4.087 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.643 -6.600 2.457 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.049 -10.460 4.111 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.273 -8.813 2.331 1.00 0.00 H new ATOM 969 N SER A 65 7.384 -5.280 3.990 1.00 0.00 N ATOM 970 CA SER A 65 8.334 -4.198 4.221 1.00 0.00 C ATOM 971 C SER A 65 7.865 -2.910 3.550 1.00 0.00 C ATOM 972 O SER A 65 7.970 -2.756 2.333 1.00 0.00 O ATOM 973 CB SER A 65 9.718 -4.585 3.694 1.00 0.00 C ATOM 974 OG SER A 65 10.596 -4.910 4.758 1.00 0.00 O ATOM 0 H SER A 65 6.963 -5.281 3.061 1.00 0.00 H new ATOM 0 HA SER A 65 8.396 -4.026 5.296 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.629 -5.436 3.019 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.133 -3.761 3.114 1.00 0.00 H new ATOM 0 HG SER A 65 11.473 -5.155 4.395 1.00 0.00 H new ATOM 980 N LEU A 66 7.346 -1.988 4.353 1.00 0.00 N ATOM 981 CA LEU A 66 6.860 -0.712 3.840 1.00 0.00 C ATOM 982 C LEU A 66 7.913 0.379 4.006 1.00 0.00 C ATOM 983 O LEU A 66 8.377 0.644 5.115 1.00 0.00 O ATOM 984 CB LEU A 66 5.572 -0.308 4.559 1.00 0.00 C ATOM 985 CG LEU A 66 4.282 -0.936 4.031 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.291 -2.441 4.256 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.069 -0.303 4.696 1.00 0.00 C ATOM 0 H LEU A 66 7.251 -2.100 5.362 1.00 0.00 H new ATOM 0 HA LEU A 66 6.653 -0.832 2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.672 -0.565 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.474 0.776 4.504 1.00 0.00 H new ATOM 0 HG LEU A 66 4.222 -0.749 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.365 -2.872 3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.139 -2.882 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.375 -2.649 5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.160 -0.763 4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.122 -0.458 5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.054 0.766 4.484 1.00 0.00 H new ATOM 999 N ARG A 67 8.284 1.009 2.896 1.00 0.00 N ATOM 1000 CA ARG A 67 9.282 2.073 2.919 1.00 0.00 C ATOM 1001 C ARG A 67 8.803 3.284 2.124 1.00 0.00 C ATOM 1002 O ARG A 67 8.108 3.142 1.119 1.00 0.00 O ATOM 1003 CB ARG A 67 10.609 1.568 2.351 1.00 0.00 C ATOM 1004 CG ARG A 67 11.032 0.216 2.901 1.00 0.00 C ATOM 1005 CD ARG A 67 12.451 -0.137 2.481 1.00 0.00 C ATOM 1006 NE ARG A 67 13.442 0.719 3.127 1.00 0.00 N ATOM 1007 CZ ARG A 67 14.753 0.544 3.009 1.00 0.00 C ATOM 1008 NH1 ARG A 67 15.229 -0.451 2.273 1.00 0.00 N ATOM 1009 NH2 ARG A 67 15.592 1.366 3.627 1.00 0.00 N ATOM 0 H ARG A 67 7.909 0.802 1.970 1.00 0.00 H new ATOM 0 HA ARG A 67 9.431 2.376 3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.528 1.500 1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.388 2.299 2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.966 0.228 3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.345 -0.553 2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.654 -1.179 2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.542 -0.044 1.399 1.00 0.00 H new ATOM 0 HE ARG A 67 13.109 1.494 3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.588 -1.084 1.796 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.237 -0.583 2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.230 2.133 4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.599 1.231 3.536 1.00 0.00 H new ATOM 1023 N GLN A 68 9.181 4.473 2.583 1.00 0.00 N ATOM 1024 CA GLN A 68 8.789 5.708 1.915 1.00 0.00 C ATOM 1025 C GLN A 68 9.972 6.664 1.800 1.00 0.00 C ATOM 1026 O GLN A 68 10.709 6.875 2.764 1.00 0.00 O ATOM 1027 CB GLN A 68 7.646 6.383 2.674 1.00 0.00 C ATOM 1028 CG GLN A 68 7.126 7.642 1.998 1.00 0.00 C ATOM 1029 CD GLN A 68 5.989 8.288 2.764 1.00 0.00 C ATOM 1030 OE1 GLN A 68 5.900 8.167 3.987 1.00 0.00 O ATOM 1031 NE2 GLN A 68 5.110 8.980 2.048 1.00 0.00 N ATOM 0 H GLN A 68 9.758 4.607 3.414 1.00 0.00 H new ATOM 0 HA GLN A 68 8.450 5.455 0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.825 5.674 2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.986 6.634 3.679 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.942 8.357 1.894 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.788 7.396 0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.222 9.055 1.037 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.323 9.437 2.509 1.00 0.00 H new ATOM 1040 N ASP A 69 10.149 7.239 0.615 1.00 0.00 N ATOM 1041 CA ASP A 69 11.243 8.173 0.374 1.00 0.00 C ATOM 1042 C ASP A 69 10.750 9.404 -0.380 1.00 0.00 C ATOM 1043 O ASP A 69 10.611 9.381 -1.602 1.00 0.00 O ATOM 1044 CB ASP A 69 12.361 7.489 -0.414 1.00 0.00 C ATOM 1045 CG ASP A 69 13.315 6.723 0.480 1.00 0.00 C ATOM 1046 OD1 ASP A 69 12.929 5.641 0.969 1.00 0.00 O ATOM 1047 OD2 ASP A 69 14.448 7.205 0.692 1.00 0.00 O ATOM 0 H ASP A 69 9.549 7.075 -0.193 1.00 0.00 H new ATOM 0 HA ASP A 69 11.634 8.494 1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.923 6.806 -1.142 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.917 8.240 -0.975 1.00 0.00 H new ATOM 1052 N GLY A 70 10.486 10.478 0.358 1.00 0.00 N ATOM 1053 CA GLY A 70 10.010 11.702 -0.259 1.00 0.00 C ATOM 1054 C GLY A 70 8.655 11.532 -0.917 1.00 0.00 C ATOM 1055 O GLY A 70 7.631 11.469 -0.238 1.00 0.00 O ATOM 0 H GLY A 70 10.593 10.522 1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.948 12.485 0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.733 12.034 -1.004 1.00 0.00 H new ATOM 1059 N ALA A 71 8.649 11.458 -2.244 1.00 0.00 N ATOM 1060 CA ALA A 71 7.410 11.294 -2.994 1.00 0.00 C ATOM 1061 C ALA A 71 7.405 9.976 -3.763 1.00 0.00 C ATOM 1062 O ALA A 71 6.730 9.846 -4.784 1.00 0.00 O ATOM 1063 CB ALA A 71 7.211 12.463 -3.947 1.00 0.00 C ATOM 0 H ALA A 71 9.488 11.509 -2.822 1.00 0.00 H new ATOM 0 HA ALA A 71 6.584 11.274 -2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.282 12.327 -4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.162 13.392 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.046 12.509 -4.646 1.00 0.00 H new ATOM 1069 N ARG A 72 8.161 9.003 -3.265 1.00 0.00 N ATOM 1070 CA ARG A 72 8.244 7.697 -3.907 1.00 0.00 C ATOM 1071 C ARG A 72 8.038 6.578 -2.890 1.00 0.00 C ATOM 1072 O ARG A 72 8.962 6.207 -2.165 1.00 0.00 O ATOM 1073 CB ARG A 72 9.599 7.530 -4.598 1.00 0.00 C ATOM 1074 CG ARG A 72 9.565 7.836 -6.086 1.00 0.00 C ATOM 1075 CD ARG A 72 10.866 7.441 -6.766 1.00 0.00 C ATOM 1076 NE ARG A 72 10.814 6.085 -7.305 1.00 0.00 N ATOM 1077 CZ ARG A 72 11.825 5.508 -7.945 1.00 0.00 C ATOM 1078 NH1 ARG A 72 12.961 6.166 -8.125 1.00 0.00 N ATOM 1079 NH2 ARG A 72 11.700 4.270 -8.406 1.00 0.00 N ATOM 0 H ARG A 72 8.724 9.094 -2.420 1.00 0.00 H new ATOM 0 HA ARG A 72 7.453 7.636 -4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.326 8.185 -4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.947 6.507 -4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.735 7.303 -6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.384 8.900 -6.236 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.081 8.143 -7.572 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.685 7.515 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 72 9.953 5.551 -7.183 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.061 7.118 -7.772 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.736 5.721 -8.617 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.827 3.761 -8.269 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.477 3.828 -8.897 1.00 0.00 H new ATOM 1093 N CYS A 73 6.822 6.045 -2.842 1.00 0.00 N ATOM 1094 CA CYS A 73 6.495 4.969 -1.913 1.00 0.00 C ATOM 1095 C CYS A 73 6.743 3.606 -2.550 1.00 0.00 C ATOM 1096 O CYS A 73 6.694 3.464 -3.772 1.00 0.00 O ATOM 1097 CB CYS A 73 5.036 5.079 -1.467 1.00 0.00 C ATOM 1098 SG CYS A 73 4.553 6.735 -0.925 1.00 0.00 S ATOM 0 H CYS A 73 6.047 6.340 -3.435 1.00 0.00 H new ATOM 0 HA CYS A 73 7.143 5.065 -1.042 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.391 4.776 -2.292 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.862 4.376 -0.652 1.00 0.00 H new ATOM 0 HG CYS A 73 3.357 7.002 -1.360 1.00 0.00 H new ATOM 1104 N GLU A 74 7.011 2.608 -1.714 1.00 0.00 N ATOM 1105 CA GLU A 74 7.269 1.256 -2.198 1.00 0.00 C ATOM 1106 C GLU A 74 6.803 0.217 -1.182 1.00 0.00 C ATOM 1107 O GLU A 74 6.941 0.408 0.027 1.00 0.00 O ATOM 1108 CB GLU A 74 8.760 1.070 -2.486 1.00 0.00 C ATOM 1109 CG GLU A 74 9.615 0.973 -1.234 1.00 0.00 C ATOM 1110 CD GLU A 74 10.904 1.764 -1.345 1.00 0.00 C ATOM 1111 OE1 GLU A 74 11.869 1.246 -1.945 1.00 0.00 O ATOM 1112 OE2 GLU A 74 10.948 2.901 -0.831 1.00 0.00 O ATOM 0 H GLU A 74 7.055 2.709 -0.700 1.00 0.00 H new ATOM 0 HA GLU A 74 6.707 1.114 -3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.897 0.166 -3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.111 1.905 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.043 1.335 -0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.851 -0.073 -1.040 1.00 0.00 H new ATOM 1119 N LEU A 75 6.250 -0.883 -1.682 1.00 0.00 N ATOM 1120 CA LEU A 75 5.763 -1.953 -0.819 1.00 0.00 C ATOM 1121 C LEU A 75 6.394 -3.289 -1.199 1.00 0.00 C ATOM 1122 O LEU A 75 6.069 -3.867 -2.236 1.00 0.00 O ATOM 1123 CB LEU A 75 4.239 -2.053 -0.908 1.00 0.00 C ATOM 1124 CG LEU A 75 3.615 -3.328 -0.339 1.00 0.00 C ATOM 1125 CD1 LEU A 75 4.080 -3.558 1.090 1.00 0.00 C ATOM 1126 CD2 LEU A 75 2.096 -3.253 -0.402 1.00 0.00 C ATOM 0 H LEU A 75 6.128 -1.057 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 75 6.047 -1.716 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.808 -1.198 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.950 -1.967 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 75 3.943 -4.172 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.626 -4.470 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.165 -3.657 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.783 -2.712 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.669 -4.169 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.749 -2.399 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.780 -3.137 -1.439 1.00 0.00 H new ATOM 1138 N GLN A 76 7.296 -3.774 -0.351 1.00 0.00 N ATOM 1139 CA GLN A 76 7.971 -5.042 -0.598 1.00 0.00 C ATOM 1140 C GLN A 76 7.279 -6.181 0.144 1.00 0.00 C ATOM 1141 O GLN A 76 6.834 -6.014 1.280 1.00 0.00 O ATOM 1142 CB GLN A 76 9.437 -4.956 -0.170 1.00 0.00 C ATOM 1143 CG GLN A 76 10.210 -6.247 -0.383 1.00 0.00 C ATOM 1144 CD GLN A 76 11.700 -6.016 -0.540 1.00 0.00 C ATOM 1145 OE1 GLN A 76 12.132 -4.947 -0.973 1.00 0.00 O ATOM 1146 NE2 GLN A 76 12.496 -7.019 -0.188 1.00 0.00 N ATOM 0 H GLN A 76 7.576 -3.308 0.512 1.00 0.00 H new ATOM 0 HA GLN A 76 7.923 -5.247 -1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.923 -4.155 -0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.484 -4.684 0.885 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.037 -6.913 0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.829 -6.752 -1.271 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.096 -7.888 0.166 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.508 -6.921 -0.272 1.00 0.00 H new ATOM 1155 N ILE A 77 7.191 -7.337 -0.505 1.00 0.00 N ATOM 1156 CA ILE A 77 6.554 -8.503 0.094 1.00 0.00 C ATOM 1157 C ILE A 77 7.390 -9.759 -0.125 1.00 0.00 C ATOM 1158 O ILE A 77 7.386 -10.339 -1.211 1.00 0.00 O ATOM 1159 CB ILE A 77 5.144 -8.731 -0.482 1.00 0.00 C ATOM 1160 CG1 ILE A 77 4.268 -7.498 -0.250 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.509 -9.964 0.146 1.00 0.00 C ATOM 1162 CD1 ILE A 77 3.012 -7.482 -1.092 1.00 0.00 C ATOM 0 H ILE A 77 7.553 -7.491 -1.446 1.00 0.00 H new ATOM 0 HA ILE A 77 6.474 -8.305 1.163 1.00 0.00 H new ATOM 0 HB ILE A 77 5.229 -8.896 -1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.990 -7.453 0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.851 -6.602 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.513 -10.113 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.125 -10.838 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.434 -9.825 1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.440 -6.580 -0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.282 -7.496 -2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.408 -8.359 -0.860 1.00 0.00 H new ATOM 1174 N ARG A 78 8.104 -10.176 0.915 1.00 0.00 N ATOM 1175 CA ARG A 78 8.945 -11.365 0.838 1.00 0.00 C ATOM 1176 C ARG A 78 8.151 -12.617 1.198 1.00 0.00 C ATOM 1177 O ARG A 78 7.393 -12.626 2.167 1.00 0.00 O ATOM 1178 CB ARG A 78 10.149 -11.225 1.771 1.00 0.00 C ATOM 1179 CG ARG A 78 11.426 -10.809 1.059 1.00 0.00 C ATOM 1180 CD ARG A 78 12.475 -11.909 1.107 1.00 0.00 C ATOM 1181 NE ARG A 78 13.228 -12.002 -0.141 1.00 0.00 N ATOM 1182 CZ ARG A 78 14.220 -11.180 -0.464 1.00 0.00 C ATOM 1183 NH1 ARG A 78 14.577 -10.208 0.365 1.00 0.00 N ATOM 1184 NH2 ARG A 78 14.857 -11.328 -1.618 1.00 0.00 N ATOM 0 H ARG A 78 8.117 -9.708 1.821 1.00 0.00 H new ATOM 0 HA ARG A 78 9.299 -11.463 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.917 -10.490 2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.318 -12.175 2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.202 -10.564 0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.824 -9.905 1.521 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.162 -11.719 1.932 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.990 -12.864 1.310 1.00 0.00 H new ATOM 0 HE ARG A 78 12.978 -12.739 -0.801 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.089 -10.090 1.253 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.339 -9.578 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.585 -12.074 -2.259 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.619 -10.696 -1.865 1.00 0.00 H new ATOM 1198 N GLY A 79 8.330 -13.672 0.410 1.00 0.00 N ATOM 1199 CA GLY A 79 7.623 -14.915 0.662 1.00 0.00 C ATOM 1200 C GLY A 79 6.349 -15.031 -0.151 1.00 0.00 C ATOM 1201 O GLY A 79 5.287 -15.347 0.388 1.00 0.00 O ATOM 0 H GLY A 79 8.952 -13.689 -0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.277 -15.755 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.381 -14.984 1.723 1.00 0.00 H new ATOM 1205 N LEU A 80 6.452 -14.775 -1.450 1.00 0.00 N ATOM 1206 CA LEU A 80 5.297 -14.851 -2.339 1.00 0.00 C ATOM 1207 C LEU A 80 4.630 -16.220 -2.248 1.00 0.00 C ATOM 1208 O LEU A 80 5.199 -17.164 -1.701 1.00 0.00 O ATOM 1209 CB LEU A 80 5.720 -14.571 -3.782 1.00 0.00 C ATOM 1210 CG LEU A 80 5.774 -13.099 -4.192 1.00 0.00 C ATOM 1211 CD1 LEU A 80 6.269 -12.962 -5.623 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.406 -12.451 -4.034 1.00 0.00 C ATOM 0 H LEU A 80 7.323 -14.513 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 80 4.577 -14.095 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.706 -15.008 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.030 -15.088 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 80 6.476 -12.584 -3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.301 -11.908 -5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.269 -13.389 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.593 -13.491 -6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.463 -11.404 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.683 -12.968 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.090 -12.517 -2.993 1.00 0.00 H new ATOM 1224 N VAL A 81 3.421 -16.320 -2.791 1.00 0.00 N ATOM 1225 CA VAL A 81 2.677 -17.574 -2.775 1.00 0.00 C ATOM 1226 C VAL A 81 1.506 -17.531 -3.751 1.00 0.00 C ATOM 1227 O VAL A 81 1.568 -18.109 -4.836 1.00 0.00 O ATOM 1228 CB VAL A 81 2.145 -17.893 -1.366 1.00 0.00 C ATOM 1229 CG1 VAL A 81 3.021 -18.936 -0.688 1.00 0.00 C ATOM 1230 CG2 VAL A 81 2.065 -16.626 -0.527 1.00 0.00 C ATOM 0 H VAL A 81 2.936 -15.548 -3.248 1.00 0.00 H new ATOM 0 HA VAL A 81 3.371 -18.358 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 81 1.140 -18.303 -1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.630 -19.149 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.023 -19.851 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.039 -18.557 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.687 -16.870 0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.058 -16.185 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.393 -15.914 -1.006 1.00 0.00 H new ATOM 1240 N ALA A 82 0.440 -16.842 -3.357 1.00 0.00 N ATOM 1241 CA ALA A 82 -0.745 -16.722 -4.197 1.00 0.00 C ATOM 1242 C ALA A 82 -1.819 -15.883 -3.514 1.00 0.00 C ATOM 1243 O ALA A 82 -2.563 -15.156 -4.171 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.288 -18.100 -4.544 1.00 0.00 C ATOM 0 H ALA A 82 0.373 -16.359 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.458 -16.215 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.173 -17.995 -5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.527 -18.666 -5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.554 -18.628 -3.628 1.00 0.00 H new ATOM 1250 N GLU A 83 -1.895 -15.991 -2.191 1.00 0.00 N ATOM 1251 CA GLU A 83 -2.881 -15.244 -1.419 1.00 0.00 C ATOM 1252 C GLU A 83 -2.655 -13.741 -1.558 1.00 0.00 C ATOM 1253 O GLU A 83 -3.595 -12.951 -1.476 1.00 0.00 O ATOM 1254 CB GLU A 83 -2.819 -15.646 0.056 1.00 0.00 C ATOM 1255 CG GLU A 83 -3.591 -16.916 0.373 1.00 0.00 C ATOM 1256 CD GLU A 83 -3.033 -18.131 -0.342 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -3.354 -18.318 -1.534 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -2.275 -18.895 0.292 1.00 0.00 O ATOM 0 H GLU A 83 -1.286 -16.588 -1.632 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.869 -15.484 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.776 -15.783 0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.212 -14.831 0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.570 -17.091 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.636 -16.782 0.092 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.402 -13.354 -1.769 1.00 0.00 N ATOM 1266 CA ASP A 84 -1.050 -11.947 -1.919 1.00 0.00 C ATOM 1267 C ASP A 84 -1.667 -11.366 -3.188 1.00 0.00 C ATOM 1268 O ASP A 84 -1.923 -10.165 -3.272 1.00 0.00 O ATOM 1269 CB ASP A 84 0.469 -11.780 -1.953 1.00 0.00 C ATOM 1270 CG ASP A 84 1.103 -12.482 -3.137 1.00 0.00 C ATOM 1271 OD1 ASP A 84 1.172 -13.729 -3.120 1.00 0.00 O ATOM 1272 OD2 ASP A 84 1.531 -11.785 -4.082 1.00 0.00 O ATOM 0 H ASP A 84 -0.612 -13.996 -1.840 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.448 -11.404 -1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.714 -10.719 -1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.895 -12.173 -1.030 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.901 -12.226 -4.173 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.488 -11.799 -5.437 1.00 0.00 C ATOM 1279 C ALA A 85 -3.870 -11.190 -5.223 1.00 0.00 C ATOM 1280 O ALA A 85 -4.728 -11.787 -4.574 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.570 -12.971 -6.405 1.00 0.00 C ATOM 0 H ALA A 85 -1.693 -13.223 -4.120 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.844 -11.032 -5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.010 -12.637 -7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.569 -13.360 -6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.190 -13.757 -5.973 1.00 0.00 H new ATOM 1287 N GLY A 86 -4.078 -9.998 -5.773 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.357 -9.328 -5.629 1.00 0.00 C ATOM 1289 C GLY A 86 -5.330 -7.906 -6.154 1.00 0.00 C ATOM 1290 O GLY A 86 -4.646 -7.613 -7.134 1.00 0.00 O ATOM 0 H GLY A 86 -3.384 -9.484 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.122 -9.894 -6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.642 -9.318 -4.577 1.00 0.00 H new ATOM 1294 N GLU A 87 -6.077 -7.021 -5.501 1.00 0.00 N ATOM 1295 CA GLU A 87 -6.136 -5.623 -5.911 1.00 0.00 C ATOM 1296 C GLU A 87 -5.665 -4.706 -4.785 1.00 0.00 C ATOM 1297 O GLU A 87 -6.367 -4.513 -3.792 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.561 -5.249 -6.324 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.666 -3.884 -6.983 1.00 0.00 C ATOM 1300 CD GLU A 87 -8.833 -3.789 -7.946 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -9.991 -3.846 -7.482 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -8.589 -3.658 -9.164 1.00 0.00 O ATOM 0 H GLU A 87 -6.649 -7.247 -4.687 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.472 -5.493 -6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.941 -6.005 -7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.202 -5.268 -5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.772 -3.120 -6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.740 -3.671 -7.518 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.472 -4.145 -4.948 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.905 -3.251 -3.946 1.00 0.00 C ATOM 1311 C TYR A 88 -4.377 -1.817 -4.165 1.00 0.00 C ATOM 1312 O TYR A 88 -4.830 -1.459 -5.253 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.377 -3.309 -3.987 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.806 -4.609 -3.467 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.980 -5.796 -4.168 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -1.093 -4.651 -2.276 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.461 -6.986 -3.697 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.569 -5.836 -1.798 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.756 -7.001 -2.512 1.00 0.00 C ATOM 1320 OH TYR A 88 -0.237 -8.185 -2.039 1.00 0.00 O ATOM 0 H TYR A 88 -3.879 -4.294 -5.765 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.248 -3.581 -2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.044 -3.161 -5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.975 -2.484 -3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.531 -5.788 -5.097 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.946 -3.741 -1.714 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.607 -7.900 -4.254 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.016 -5.850 -0.870 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.739 -8.937 -2.417 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.266 -0.999 -3.124 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.681 0.398 -3.201 1.00 0.00 C ATOM 1332 C LEU A 89 -3.636 1.311 -2.567 1.00 0.00 C ATOM 1333 O LEU A 89 -2.737 0.848 -1.865 1.00 0.00 O ATOM 1334 CB LEU A 89 -6.031 0.589 -2.507 1.00 0.00 C ATOM 1335 CG LEU A 89 -7.098 1.333 -3.310 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.373 0.508 -3.397 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.382 2.692 -2.687 1.00 0.00 C ATOM 0 H LEU A 89 -3.892 -1.279 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.780 0.665 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.423 -0.393 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.865 1.128 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.722 1.490 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.121 1.054 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.159 -0.441 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.754 0.320 -2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.144 3.208 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.738 2.557 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.468 3.286 -2.677 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.764 2.609 -2.818 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.831 3.589 -2.270 1.00 0.00 C ATOM 1351 C CYS A 90 -3.445 4.985 -2.275 1.00 0.00 C ATOM 1352 O CYS A 90 -3.259 5.752 -3.219 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.529 3.588 -3.072 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.070 4.055 -2.111 1.00 0.00 S ATOM 0 H CYS A 90 -4.503 3.008 -3.397 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.614 3.311 -1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.373 2.593 -3.490 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.632 4.274 -3.913 1.00 0.00 H new ATOM 0 HG CYS A 90 0.577 2.985 -1.757 1.00 0.00 H new ATOM 1360 N MET A 91 -4.178 5.307 -1.214 1.00 0.00 N ATOM 1361 CA MET A 91 -4.820 6.611 -1.097 1.00 0.00 C ATOM 1362 C MET A 91 -3.854 7.642 -0.522 1.00 0.00 C ATOM 1363 O MET A 91 -3.118 7.357 0.424 1.00 0.00 O ATOM 1364 CB MET A 91 -6.065 6.513 -0.213 1.00 0.00 C ATOM 1365 CG MET A 91 -7.014 5.398 -0.621 1.00 0.00 C ATOM 1366 SD MET A 91 -8.555 5.420 0.314 1.00 0.00 S ATOM 1367 CE MET A 91 -8.200 4.204 1.581 1.00 0.00 C ATOM 0 H MET A 91 -4.342 4.683 -0.424 1.00 0.00 H new ATOM 0 HA MET A 91 -5.117 6.933 -2.095 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.755 6.356 0.820 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.599 7.463 -0.245 1.00 0.00 H new ATOM 0 HG2 MET A 91 -7.237 5.487 -1.684 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.521 4.436 -0.479 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.017 4.181 2.302 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.093 3.221 1.122 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.274 4.469 2.091 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.862 8.839 -1.098 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.985 9.912 -0.643 1.00 0.00 C ATOM 1379 C CYS A 92 -3.759 11.216 -0.484 1.00 0.00 C ATOM 1380 O CYS A 92 -3.891 11.992 -1.430 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.831 10.107 -1.627 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.510 11.179 -1.013 1.00 0.00 S ATOM 0 H CYS A 92 -4.466 9.091 -1.881 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.581 9.630 0.329 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.409 9.133 -1.873 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -2.224 10.527 -2.553 1.00 0.00 H new ATOM 0 HG CYS A 92 -0.997 12.351 -0.733 1.00 0.00 H new ATOM 1388 N GLY A 93 -4.272 11.451 0.720 1.00 0.00 N ATOM 1389 CA GLY A 93 -5.029 12.662 0.981 1.00 0.00 C ATOM 1390 C GLY A 93 -6.423 12.613 0.388 1.00 0.00 C ATOM 1391 O GLY A 93 -7.388 12.282 1.078 1.00 0.00 O ATOM 0 H GLY A 93 -4.177 10.825 1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.101 12.817 2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.493 13.518 0.571 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.531 12.944 -0.894 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.817 12.937 -1.581 1.00 0.00 C ATOM 1397 C LYS A 94 -7.823 11.916 -2.714 1.00 0.00 C ATOM 1398 O LYS A 94 -8.716 11.074 -2.797 1.00 0.00 O ATOM 1399 CB LYS A 94 -8.131 14.329 -2.133 1.00 0.00 C ATOM 1400 CG LYS A 94 -9.574 14.496 -2.577 1.00 0.00 C ATOM 1401 CD LYS A 94 -10.303 15.523 -1.727 1.00 0.00 C ATOM 1402 CE LYS A 94 -10.763 14.927 -0.405 1.00 0.00 C ATOM 1403 NZ LYS A 94 -12.182 14.478 -0.463 1.00 0.00 N ATOM 0 H LYS A 94 -5.743 13.221 -1.479 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.585 12.657 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.906 15.073 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.474 14.532 -2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.601 14.803 -3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.089 13.537 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.646 16.371 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.165 15.905 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.125 14.082 -0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.648 15.667 0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.457 14.078 0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.794 15.289 -0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.287 13.753 -1.201 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.820 11.996 -3.583 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.711 11.078 -4.710 1.00 0.00 C ATOM 1419 C GLU A 95 -6.310 9.683 -4.239 1.00 0.00 C ATOM 1420 O GLU A 95 -5.972 9.484 -3.072 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.691 11.599 -5.724 1.00 0.00 C ATOM 1422 CG GLU A 95 -6.255 12.639 -6.677 1.00 0.00 C ATOM 1423 CD GLU A 95 -7.048 12.021 -7.813 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -7.772 11.034 -7.564 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -6.943 12.524 -8.951 1.00 0.00 O ATOM 0 H GLU A 95 -6.072 12.687 -3.528 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.688 11.014 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.846 12.031 -5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.306 10.760 -6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.896 13.325 -6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.437 13.230 -7.089 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.351 8.721 -5.155 1.00 0.00 N ATOM 1433 CA ARG A 96 -5.994 7.345 -4.833 1.00 0.00 C ATOM 1434 C ARG A 96 -5.767 6.531 -6.104 1.00 0.00 C ATOM 1435 O ARG A 96 -6.163 6.940 -7.196 1.00 0.00 O ATOM 1436 CB ARG A 96 -7.090 6.695 -3.988 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.482 6.835 -4.583 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.508 6.034 -3.797 1.00 0.00 C ATOM 1439 NE ARG A 96 -10.734 6.792 -3.564 1.00 0.00 N ATOM 1440 CZ ARG A 96 -11.895 6.232 -3.247 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -11.989 4.915 -3.125 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -12.967 6.989 -3.050 1.00 0.00 N ATOM 0 H ARG A 96 -6.628 8.869 -6.125 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.066 7.361 -4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.862 5.636 -3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.083 7.141 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.770 7.886 -4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.471 6.497 -5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.746 5.119 -4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.079 5.736 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.696 7.808 -3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.168 4.329 -3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.883 4.488 -2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.900 8.003 -3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.858 6.557 -2.806 1.00 0.00 H new ATOM 1456 N THR A 97 -5.125 5.376 -5.955 1.00 0.00 N ATOM 1457 CA THR A 97 -4.844 4.506 -7.089 1.00 0.00 C ATOM 1458 C THR A 97 -4.929 3.037 -6.690 1.00 0.00 C ATOM 1459 O THR A 97 -4.858 2.700 -5.508 1.00 0.00 O ATOM 1460 CB THR A 97 -3.449 4.785 -7.680 1.00 0.00 C ATOM 1461 OG1 THR A 97 -3.242 3.985 -8.849 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.360 4.492 -6.659 1.00 0.00 C ATOM 0 H THR A 97 -4.790 5.022 -5.059 1.00 0.00 H new ATOM 0 HA THR A 97 -5.600 4.719 -7.845 1.00 0.00 H new ATOM 0 HB THR A 97 -3.398 5.840 -7.949 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.571 3.297 -8.660 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.384 4.696 -7.099 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.503 5.125 -5.783 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.412 3.444 -6.362 1.00 0.00 H new ATOM 1470 N SER A 98 -5.080 2.166 -7.683 1.00 0.00 N ATOM 1471 CA SER A 98 -5.178 0.733 -7.434 1.00 0.00 C ATOM 1472 C SER A 98 -4.603 -0.062 -8.603 1.00 0.00 C ATOM 1473 O SER A 98 -4.682 0.363 -9.755 1.00 0.00 O ATOM 1474 CB SER A 98 -6.636 0.333 -7.198 1.00 0.00 C ATOM 1475 OG SER A 98 -7.493 0.948 -8.144 1.00 0.00 O ATOM 0 H SER A 98 -5.137 2.428 -8.667 1.00 0.00 H new ATOM 0 HA SER A 98 -4.597 0.504 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.734 -0.751 -7.264 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.936 0.620 -6.190 1.00 0.00 H new ATOM 0 HG SER A 98 -8.419 0.675 -7.973 1.00 0.00 H new ATOM 1481 N ALA A 99 -4.025 -1.219 -8.297 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.439 -2.074 -9.321 1.00 0.00 C ATOM 1483 C ALA A 99 -3.730 -3.545 -9.040 1.00 0.00 C ATOM 1484 O ALA A 99 -4.113 -3.910 -7.929 1.00 0.00 O ATOM 1485 CB ALA A 99 -1.938 -1.839 -9.410 1.00 0.00 C ATOM 0 H ALA A 99 -3.950 -1.585 -7.348 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.893 -1.816 -10.278 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.514 -2.484 -10.179 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.747 -0.797 -9.665 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.476 -2.067 -8.449 1.00 0.00 H new ATOM 1491 N MET A 100 -3.545 -4.384 -10.054 1.00 0.00 N ATOM 1492 CA MET A 100 -3.788 -5.815 -9.915 1.00 0.00 C ATOM 1493 C MET A 100 -2.475 -6.592 -9.927 1.00 0.00 C ATOM 1494 O MET A 100 -1.712 -6.526 -10.891 1.00 0.00 O ATOM 1495 CB MET A 100 -4.698 -6.312 -11.039 1.00 0.00 C ATOM 1496 CG MET A 100 -6.180 -6.188 -10.721 1.00 0.00 C ATOM 1497 SD MET A 100 -7.052 -7.760 -10.857 1.00 0.00 S ATOM 1498 CE MET A 100 -6.359 -8.654 -9.468 1.00 0.00 C ATOM 0 H MET A 100 -3.228 -4.098 -10.980 1.00 0.00 H new ATOM 0 HA MET A 100 -4.282 -5.983 -8.958 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.481 -5.749 -11.947 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.466 -7.356 -11.249 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.300 -5.797 -9.711 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.634 -5.465 -11.399 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.573 -9.717 -9.577 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.280 -8.502 -9.439 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.802 -8.288 -8.542 1.00 0.00 H new ATOM 1508 N LEU A 101 -2.219 -7.328 -8.851 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.998 -8.118 -8.738 1.00 0.00 C ATOM 1510 C LEU A 101 -1.272 -9.590 -9.031 1.00 0.00 C ATOM 1511 O LEU A 101 -2.255 -10.158 -8.553 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.398 -7.969 -7.338 1.00 0.00 C ATOM 1513 CG LEU A 101 0.881 -8.762 -7.068 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.076 -8.086 -7.722 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.107 -8.916 -5.571 1.00 0.00 C ATOM 0 H LEU A 101 -2.840 -7.394 -8.045 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.285 -7.746 -9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.191 -6.913 -7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.150 -8.271 -6.608 1.00 0.00 H new ATOM 0 HG LEU A 101 0.768 -9.755 -7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.977 -8.664 -7.519 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.917 -8.028 -8.799 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.192 -7.080 -7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.022 -9.483 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.198 -7.931 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.263 -9.445 -5.128 1.00 0.00 H new ATOM 1527 N THR A 102 -0.396 -10.204 -9.821 1.00 0.00 N ATOM 1528 CA THR A 102 -0.543 -11.609 -10.177 1.00 0.00 C ATOM 1529 C THR A 102 0.599 -12.443 -9.608 1.00 0.00 C ATOM 1530 O THR A 102 1.730 -11.971 -9.495 1.00 0.00 O ATOM 1531 CB THR A 102 -0.590 -11.799 -11.705 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.496 -10.855 -12.288 1.00 0.00 O ATOM 1533 CG2 THR A 102 -1.024 -13.213 -12.062 1.00 0.00 C ATOM 0 H THR A 102 0.422 -9.750 -10.226 1.00 0.00 H new ATOM 0 HA THR A 102 -1.486 -11.947 -9.747 1.00 0.00 H new ATOM 0 HB THR A 102 0.412 -11.633 -12.101 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.519 -10.981 -13.260 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.050 -13.323 -13.146 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.317 -13.928 -11.641 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.017 -13.403 -11.654 1.00 0.00 H new ATOM 1541 N VAL A 103 0.296 -13.688 -9.252 1.00 0.00 N ATOM 1542 CA VAL A 103 1.299 -14.589 -8.696 1.00 0.00 C ATOM 1543 C VAL A 103 1.291 -15.932 -9.417 1.00 0.00 C ATOM 1544 O VAL A 103 0.391 -16.749 -9.220 1.00 0.00 O ATOM 1545 CB VAL A 103 1.068 -14.825 -7.192 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.143 -15.739 -6.623 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.033 -13.501 -6.444 1.00 0.00 C ATOM 0 H VAL A 103 -0.635 -14.095 -9.339 1.00 0.00 H new ATOM 0 HA VAL A 103 2.268 -14.110 -8.837 1.00 0.00 H new ATOM 0 HB VAL A 103 0.103 -15.315 -7.063 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.963 -15.894 -5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.115 -16.699 -7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.122 -15.280 -6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.869 -13.687 -5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.982 -12.982 -6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.223 -12.884 -6.834 1.00 0.00 H new ATOM 1557 N ARG A 104 2.299 -16.154 -10.254 1.00 0.00 N ATOM 1558 CA ARG A 104 2.408 -17.398 -11.006 1.00 0.00 C ATOM 1559 C ARG A 104 2.867 -18.540 -10.104 1.00 0.00 C ATOM 1560 O ARG A 104 3.105 -18.346 -8.913 1.00 0.00 O ATOM 1561 CB ARG A 104 3.384 -17.231 -12.172 1.00 0.00 C ATOM 1562 CG ARG A 104 3.070 -16.040 -13.063 1.00 0.00 C ATOM 1563 CD ARG A 104 3.370 -16.343 -14.523 1.00 0.00 C ATOM 1564 NE ARG A 104 4.443 -15.503 -15.047 1.00 0.00 N ATOM 1565 CZ ARG A 104 4.930 -15.616 -16.278 1.00 0.00 C ATOM 1566 NH1 ARG A 104 4.441 -16.528 -17.107 1.00 0.00 N ATOM 1567 NH2 ARG A 104 5.907 -14.815 -16.682 1.00 0.00 N ATOM 0 H ARG A 104 3.052 -15.488 -10.428 1.00 0.00 H new ATOM 0 HA ARG A 104 1.421 -17.643 -11.400 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.394 -17.122 -11.777 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.374 -18.138 -12.776 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.020 -15.770 -12.955 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.655 -15.179 -12.741 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.648 -17.392 -14.626 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.469 -16.192 -15.117 1.00 0.00 H new ATOM 0 HE ARG A 104 4.840 -14.791 -14.435 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.689 -17.145 -16.800 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.817 -16.612 -18.051 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.285 -14.112 -16.047 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.280 -14.902 -17.627 1.00 0.00 H new ATOM 1581 N ALA A 105 2.988 -19.731 -10.681 1.00 0.00 N ATOM 1582 CA ALA A 105 3.420 -20.904 -9.930 1.00 0.00 C ATOM 1583 C ALA A 105 4.834 -21.317 -10.323 1.00 0.00 C ATOM 1584 O ALA A 105 5.237 -21.165 -11.476 1.00 0.00 O ATOM 1585 CB ALA A 105 2.451 -22.056 -10.149 1.00 0.00 C ATOM 0 H ALA A 105 2.793 -19.909 -11.666 1.00 0.00 H new ATOM 0 HA ALA A 105 3.427 -20.645 -8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.785 -22.925 -9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.456 -21.764 -9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.416 -22.305 -11.210 1.00 0.00 H new ATOM 1591 N MET A 106 5.582 -21.840 -9.358 1.00 0.00 N ATOM 1592 CA MET A 106 6.952 -22.276 -9.604 1.00 0.00 C ATOM 1593 C MET A 106 6.999 -23.316 -10.719 1.00 0.00 C ATOM 1594 O MET A 106 5.998 -23.950 -11.052 1.00 0.00 O ATOM 1595 CB MET A 106 7.564 -22.854 -8.326 1.00 0.00 C ATOM 1596 CG MET A 106 8.500 -21.892 -7.612 1.00 0.00 C ATOM 1597 SD MET A 106 10.033 -22.679 -7.083 1.00 0.00 S ATOM 1598 CE MET A 106 9.596 -23.188 -5.422 1.00 0.00 C ATOM 0 H MET A 106 5.263 -21.972 -8.398 1.00 0.00 H new ATOM 0 HA MET A 106 7.533 -21.408 -9.916 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.762 -23.140 -7.646 1.00 0.00 H new ATOM 0 HB3 MET A 106 8.111 -23.764 -8.574 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.734 -21.059 -8.275 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.992 -21.474 -6.743 1.00 0.00 H new ATOM 0 HE1 MET A 106 10.445 -23.692 -4.961 1.00 0.00 H new ATOM 0 HE2 MET A 106 9.329 -22.312 -4.831 1.00 0.00 H new ATOM 0 HE3 MET A 106 8.747 -23.870 -5.462 1.00 0.00 H new ATOM 1608 N PRO A 107 8.189 -23.496 -11.311 1.00 0.00 N ATOM 1609 CA PRO A 107 8.395 -24.458 -12.398 1.00 0.00 C ATOM 1610 C PRO A 107 8.305 -25.903 -11.918 1.00 0.00 C ATOM 1611 O PRO A 107 9.150 -26.366 -11.152 1.00 0.00 O ATOM 1612 CB PRO A 107 9.811 -24.144 -12.886 1.00 0.00 C ATOM 1613 CG PRO A 107 10.490 -23.531 -11.710 1.00 0.00 C ATOM 1614 CD PRO A 107 9.425 -22.775 -10.965 1.00 0.00 C ATOM 0 HA PRO A 107 7.633 -24.368 -13.172 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.326 -25.047 -13.214 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.795 -23.460 -13.735 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.941 -24.296 -11.077 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.293 -22.865 -12.026 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.606 -22.781 -9.890 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.382 -21.731 -11.276 1.00 0.00 H new