USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 399 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 THR OG1 : rot 95:sc= -1.54 USER MOD Set 1.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot 165:sc= 1.72 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.027 X(o=1.7,f=1.6) USER MOD Set 3.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.34 K(o=-1.3,f=-5.2!) USER MOD Single : A 20 THR OG1 : rot 87:sc= 1.18 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0292 X(o=-0.029,f=-0.06) USER MOD Single : A 29 HIS : no HD1:sc= -0.0275 X(o=-0.028,f=-0.028) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.444 K(o=-0.44,f=-4.6!) USER MOD Single : A 39 SER OG : rot 67:sc= 1.32 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.4 K(o=-1.4,f=-7.5!) USER MOD Single : A 46 ASN : amide:sc= -0.509 K(o=-0.51,f=-5.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00729 USER MOD Single : A 48 TYR OH : rot 30:sc=-6.15e-05 USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= -0.141 (180deg=-1.06) USER MOD Single : A 52 ASN : amide:sc= -0.04 X(o=-0.04,f=-0.04) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0663) USER MOD Single : A 63 ASN : amide:sc= -1.47 K(o=-1.5,f=-6.9!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N CYS A 13 22.052 10.486 -12.182 1.00 0.00 N ATOM 211 CA CYS A 13 21.464 10.222 -13.492 1.00 0.00 C ATOM 212 C CYS A 13 22.273 9.173 -14.248 1.00 0.00 C ATOM 213 O CYS A 13 23.084 9.504 -15.114 1.00 0.00 O ATOM 214 CB CYS A 13 21.412 11.513 -14.311 1.00 0.00 C ATOM 215 SG CYS A 13 19.814 12.324 -14.059 1.00 0.00 S ATOM 0 HA CYS A 13 20.453 9.843 -13.342 1.00 0.00 H new ATOM 0 HB2 CYS A 13 22.221 12.179 -14.011 1.00 0.00 H new ATOM 0 HB3 CYS A 13 21.557 11.291 -15.368 1.00 0.00 H new ATOM 220 N ASN A 14 22.045 7.907 -13.916 1.00 0.00 N ATOM 221 CA ASN A 14 22.753 6.811 -14.570 1.00 0.00 C ATOM 222 C ASN A 14 21.804 5.985 -15.440 1.00 0.00 C ATOM 223 O ASN A 14 22.247 5.233 -16.309 1.00 0.00 O ATOM 224 CB ASN A 14 23.396 5.907 -13.516 1.00 0.00 C ATOM 225 CG ASN A 14 22.332 5.391 -12.553 1.00 0.00 C ATOM 226 OD1 ASN A 14 21.335 4.808 -12.982 1.00 0.00 O ATOM 227 ND2 ASN A 14 22.483 5.571 -11.270 1.00 0.00 N ATOM 0 H ASN A 14 21.379 7.614 -13.201 1.00 0.00 H new ATOM 0 HA ASN A 14 23.525 7.239 -15.210 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.897 5.069 -14.000 1.00 0.00 H new ATOM 0 HB3 ASN A 14 24.158 6.460 -12.967 1.00 0.00 H new ATOM 0 HD21 ASN A 14 21.775 5.229 -10.620 1.00 0.00 H new ATOM 0 HD22 ASN A 14 23.309 6.054 -10.916 1.00 0.00 H new ATOM 234 N THR A 15 20.501 6.124 -15.204 1.00 0.00 N ATOM 235 CA THR A 15 19.514 5.380 -15.978 1.00 0.00 C ATOM 236 C THR A 15 19.130 6.147 -17.241 1.00 0.00 C ATOM 237 O THR A 15 19.165 7.377 -17.267 1.00 0.00 O ATOM 238 CB THR A 15 18.267 5.120 -15.126 1.00 0.00 C ATOM 239 OG1 THR A 15 17.375 4.274 -15.839 1.00 0.00 O ATOM 240 CG2 THR A 15 17.570 6.445 -14.807 1.00 0.00 C ATOM 0 H THR A 15 20.109 6.738 -14.491 1.00 0.00 H new ATOM 0 HA THR A 15 19.953 4.427 -16.271 1.00 0.00 H new ATOM 0 HB THR A 15 18.562 4.637 -14.194 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.578 4.106 -15.294 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.684 6.254 -14.201 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.253 7.092 -14.257 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.276 6.934 -15.736 1.00 0.00 H new ATOM 248 N ALA A 16 18.768 5.410 -18.286 1.00 0.00 N ATOM 249 CA ALA A 16 18.383 6.025 -19.553 1.00 0.00 C ATOM 250 C ALA A 16 17.152 6.916 -19.386 1.00 0.00 C ATOM 251 O ALA A 16 16.871 7.759 -20.238 1.00 0.00 O ATOM 252 CB ALA A 16 18.086 4.937 -20.587 1.00 0.00 C ATOM 0 H ALA A 16 18.733 4.391 -18.282 1.00 0.00 H new ATOM 0 HA ALA A 16 19.213 6.645 -19.893 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.799 5.401 -21.531 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.976 4.326 -20.738 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.271 4.308 -20.229 1.00 0.00 H new ATOM 258 N THR A 17 16.422 6.727 -18.291 1.00 0.00 N ATOM 259 CA THR A 17 15.226 7.524 -18.038 1.00 0.00 C ATOM 260 C THR A 17 15.585 8.998 -17.865 1.00 0.00 C ATOM 261 O THR A 17 14.864 9.879 -18.333 1.00 0.00 O ATOM 262 CB THR A 17 14.516 7.018 -16.780 1.00 0.00 C ATOM 263 OG1 THR A 17 14.135 5.662 -16.967 1.00 0.00 O ATOM 264 CG2 THR A 17 13.271 7.867 -16.517 1.00 0.00 C ATOM 0 H THR A 17 16.634 6.036 -17.571 1.00 0.00 H new ATOM 0 HA THR A 17 14.561 7.424 -18.896 1.00 0.00 H new ATOM 0 HB THR A 17 15.191 7.093 -15.927 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.682 5.336 -16.162 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.767 7.505 -15.621 1.00 0.00 H new ATOM 0 HG22 THR A 17 13.564 8.907 -16.374 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.594 7.794 -17.369 1.00 0.00 H new ATOM 272 N CYS A 18 16.699 9.259 -17.189 1.00 0.00 N ATOM 273 CA CYS A 18 17.137 10.631 -16.961 1.00 0.00 C ATOM 274 C CYS A 18 17.344 11.359 -18.286 1.00 0.00 C ATOM 275 O CYS A 18 16.829 12.458 -18.487 1.00 0.00 O ATOM 276 CB CYS A 18 18.443 10.638 -16.165 1.00 0.00 C ATOM 277 SG CYS A 18 18.976 12.348 -15.897 1.00 0.00 S ATOM 0 H CYS A 18 17.310 8.545 -16.793 1.00 0.00 H new ATOM 0 HA CYS A 18 16.362 11.147 -16.394 1.00 0.00 H new ATOM 0 HB2 CYS A 18 18.301 10.136 -15.208 1.00 0.00 H new ATOM 0 HB3 CYS A 18 19.213 10.086 -16.704 1.00 0.00 H new ATOM 282 N ALA A 19 18.099 10.740 -19.187 1.00 0.00 N ATOM 283 CA ALA A 19 18.363 11.344 -20.489 1.00 0.00 C ATOM 284 C ALA A 19 17.077 11.453 -21.302 1.00 0.00 C ATOM 285 O ALA A 19 16.854 12.444 -21.996 1.00 0.00 O ATOM 286 CB ALA A 19 19.385 10.504 -21.257 1.00 0.00 C ATOM 0 H ALA A 19 18.535 9.829 -19.043 1.00 0.00 H new ATOM 0 HA ALA A 19 18.763 12.345 -20.329 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.576 10.962 -22.228 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.314 10.454 -20.690 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.993 9.497 -21.402 1.00 0.00 H new ATOM 292 N THR A 20 16.244 10.420 -21.220 1.00 0.00 N ATOM 293 CA THR A 20 14.985 10.392 -21.961 1.00 0.00 C ATOM 294 C THR A 20 14.227 11.711 -21.829 1.00 0.00 C ATOM 295 O THR A 20 13.677 12.217 -22.807 1.00 0.00 O ATOM 296 CB THR A 20 14.107 9.250 -21.444 1.00 0.00 C ATOM 297 OG1 THR A 20 14.785 8.015 -21.624 1.00 0.00 O ATOM 298 CG2 THR A 20 12.788 9.228 -22.217 1.00 0.00 C ATOM 0 H THR A 20 16.416 9.592 -20.649 1.00 0.00 H new ATOM 0 HA THR A 20 15.221 10.237 -23.014 1.00 0.00 H new ATOM 0 HB THR A 20 13.901 9.400 -20.384 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.361 7.842 -20.850 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.164 8.414 -21.848 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.269 10.176 -22.077 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.990 9.078 -23.277 1.00 0.00 H new ATOM 306 N GLN A 21 14.189 12.260 -20.620 1.00 0.00 N ATOM 307 CA GLN A 21 13.479 13.515 -20.391 1.00 0.00 C ATOM 308 C GLN A 21 14.345 14.715 -20.771 1.00 0.00 C ATOM 309 O GLN A 21 13.828 15.777 -21.117 1.00 0.00 O ATOM 310 CB GLN A 21 13.061 13.621 -18.921 1.00 0.00 C ATOM 311 CG GLN A 21 14.134 14.369 -18.126 1.00 0.00 C ATOM 312 CD GLN A 21 13.904 14.173 -16.631 1.00 0.00 C ATOM 313 OE1 GLN A 21 14.104 13.076 -16.111 1.00 0.00 O ATOM 314 NE2 GLN A 21 13.494 15.177 -15.906 1.00 0.00 N ATOM 0 H GLN A 21 14.635 11.863 -19.793 1.00 0.00 H new ATOM 0 HA GLN A 21 12.590 13.521 -21.022 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.108 14.143 -18.842 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.915 12.625 -18.503 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.123 14.004 -18.401 1.00 0.00 H new ATOM 0 HG3 GLN A 21 14.106 15.431 -18.371 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.329 16.085 -16.340 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.338 15.054 -14.905 1.00 0.00 H new ATOM 323 N ARG A 22 15.661 14.545 -20.698 1.00 0.00 N ATOM 324 CA ARG A 22 16.579 15.631 -21.032 1.00 0.00 C ATOM 325 C ARG A 22 16.520 15.957 -22.522 1.00 0.00 C ATOM 326 O ARG A 22 16.478 17.125 -22.909 1.00 0.00 O ATOM 327 CB ARG A 22 18.009 15.243 -20.646 1.00 0.00 C ATOM 328 CG ARG A 22 18.931 16.457 -20.797 1.00 0.00 C ATOM 329 CD ARG A 22 18.767 17.379 -19.588 1.00 0.00 C ATOM 330 NE ARG A 22 19.149 16.680 -18.364 1.00 0.00 N ATOM 331 CZ ARG A 22 20.428 16.518 -18.019 1.00 0.00 C ATOM 332 NH1 ARG A 22 21.391 16.984 -18.773 1.00 0.00 N ATOM 333 NH2 ARG A 22 20.722 15.886 -16.915 1.00 0.00 N ATOM 0 H ARG A 22 16.113 13.676 -20.414 1.00 0.00 H new ATOM 0 HA ARG A 22 16.277 16.516 -20.472 1.00 0.00 H new ATOM 0 HB2 ARG A 22 18.033 14.881 -19.618 1.00 0.00 H new ATOM 0 HB3 ARG A 22 18.359 14.428 -21.279 1.00 0.00 H new ATOM 0 HG2 ARG A 22 19.968 16.131 -20.880 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.692 16.996 -21.714 1.00 0.00 H new ATOM 0 HD2 ARG A 22 19.383 18.269 -19.714 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.733 17.715 -19.516 1.00 0.00 H new ATOM 0 HE ARG A 22 18.419 16.306 -17.757 1.00 0.00 H new ATOM 0 HH11 ARG A 22 21.168 17.478 -19.637 1.00 0.00 H new ATOM 0 HH12 ARG A 22 22.364 16.853 -18.497 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.976 15.520 -16.323 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.697 15.758 -16.645 1.00 0.00 H new ATOM 347 N LEU A 23 16.524 14.921 -23.354 1.00 0.00 N ATOM 348 CA LEU A 23 16.478 15.119 -24.798 1.00 0.00 C ATOM 349 C LEU A 23 15.112 15.645 -25.230 1.00 0.00 C ATOM 350 O LEU A 23 15.007 16.398 -26.198 1.00 0.00 O ATOM 351 CB LEU A 23 16.793 13.810 -25.530 1.00 0.00 C ATOM 352 CG LEU A 23 15.702 12.776 -25.247 1.00 0.00 C ATOM 353 CD1 LEU A 23 14.741 12.708 -26.436 1.00 0.00 C ATOM 354 CD2 LEU A 23 16.348 11.404 -25.038 1.00 0.00 C ATOM 0 H LEU A 23 16.558 13.946 -23.058 1.00 0.00 H new ATOM 0 HA LEU A 23 17.233 15.860 -25.061 1.00 0.00 H new ATOM 0 HB2 LEU A 23 16.864 13.992 -26.602 1.00 0.00 H new ATOM 0 HB3 LEU A 23 17.761 13.427 -25.207 1.00 0.00 H new ATOM 0 HG LEU A 23 15.151 13.063 -24.351 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.964 11.971 -26.234 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.283 13.685 -26.590 1.00 0.00 H new ATOM 0 HD13 LEU A 23 15.291 12.419 -27.332 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.573 10.664 -24.836 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.896 11.119 -25.936 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.035 11.450 -24.193 1.00 0.00 H new ATOM 366 N ALA A 24 14.066 15.243 -24.513 1.00 0.00 N ATOM 367 CA ALA A 24 12.716 15.683 -24.845 1.00 0.00 C ATOM 368 C ALA A 24 12.621 17.205 -24.805 1.00 0.00 C ATOM 369 O ALA A 24 12.053 17.823 -25.704 1.00 0.00 O ATOM 370 CB ALA A 24 11.713 15.081 -23.859 1.00 0.00 C ATOM 0 H ALA A 24 14.126 14.620 -23.707 1.00 0.00 H new ATOM 0 HA ALA A 24 12.482 15.343 -25.854 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.707 15.415 -24.114 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.759 13.993 -23.912 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.957 15.406 -22.848 1.00 0.00 H new ATOM 376 N ASN A 25 13.180 17.805 -23.759 1.00 0.00 N ATOM 377 CA ASN A 25 13.149 19.255 -23.619 1.00 0.00 C ATOM 378 C ASN A 25 13.971 19.917 -24.721 1.00 0.00 C ATOM 379 O ASN A 25 13.588 20.955 -25.260 1.00 0.00 O ATOM 380 CB ASN A 25 13.710 19.657 -22.254 1.00 0.00 C ATOM 381 CG ASN A 25 12.748 19.232 -21.149 1.00 0.00 C ATOM 382 OD1 ASN A 25 13.109 18.432 -20.286 1.00 0.00 O ATOM 383 ND2 ASN A 25 11.539 19.721 -21.125 1.00 0.00 N ATOM 0 H ASN A 25 13.656 17.314 -23.002 1.00 0.00 H new ATOM 0 HA ASN A 25 12.114 19.588 -23.702 1.00 0.00 H new ATOM 0 HB2 ASN A 25 14.683 19.190 -22.100 1.00 0.00 H new ATOM 0 HB3 ASN A 25 13.864 20.735 -22.218 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.890 19.441 -20.390 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.243 20.384 -21.841 1.00 0.00 H new ATOM 390 N PHE A 26 15.107 19.308 -25.045 1.00 0.00 N ATOM 391 CA PHE A 26 15.988 19.841 -26.078 1.00 0.00 C ATOM 392 C PHE A 26 15.299 19.827 -27.440 1.00 0.00 C ATOM 393 O PHE A 26 15.534 20.703 -28.272 1.00 0.00 O ATOM 394 CB PHE A 26 17.272 19.011 -26.143 1.00 0.00 C ATOM 395 CG PHE A 26 18.250 19.666 -27.089 1.00 0.00 C ATOM 396 CD1 PHE A 26 19.000 20.771 -26.666 1.00 0.00 C ATOM 397 CD2 PHE A 26 18.410 19.167 -28.387 1.00 0.00 C ATOM 398 CE1 PHE A 26 19.908 21.376 -27.542 1.00 0.00 C ATOM 399 CE2 PHE A 26 19.319 19.773 -29.263 1.00 0.00 C ATOM 400 CZ PHE A 26 20.068 20.878 -28.840 1.00 0.00 C ATOM 0 H PHE A 26 15.438 18.448 -24.609 1.00 0.00 H new ATOM 0 HA PHE A 26 16.231 20.872 -25.823 1.00 0.00 H new ATOM 0 HB2 PHE A 26 17.713 18.926 -25.150 1.00 0.00 H new ATOM 0 HB3 PHE A 26 17.047 17.999 -26.480 1.00 0.00 H new ATOM 0 HD1 PHE A 26 18.877 21.156 -25.664 1.00 0.00 H new ATOM 0 HD2 PHE A 26 17.832 18.315 -28.713 1.00 0.00 H new ATOM 0 HE1 PHE A 26 20.486 22.228 -27.216 1.00 0.00 H new ATOM 0 HE2 PHE A 26 19.442 19.388 -30.265 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.769 21.346 -29.515 1.00 0.00 H new ATOM 410 N LEU A 27 14.454 18.826 -27.664 1.00 0.00 N ATOM 411 CA LEU A 27 13.742 18.706 -28.933 1.00 0.00 C ATOM 412 C LEU A 27 12.966 19.989 -29.227 1.00 0.00 C ATOM 413 O LEU A 27 13.223 20.670 -30.220 1.00 0.00 O ATOM 414 CB LEU A 27 12.784 17.500 -28.856 1.00 0.00 C ATOM 415 CG LEU A 27 11.914 17.349 -30.125 1.00 0.00 C ATOM 416 CD1 LEU A 27 10.633 18.192 -30.004 1.00 0.00 C ATOM 417 CD2 LEU A 27 12.695 17.764 -31.382 1.00 0.00 C ATOM 0 H LEU A 27 14.246 18.090 -26.989 1.00 0.00 H new ATOM 0 HA LEU A 27 14.456 18.550 -29.742 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.364 16.589 -28.707 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.136 17.611 -27.987 1.00 0.00 H new ATOM 0 HG LEU A 27 11.641 16.298 -30.219 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.033 18.074 -30.906 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.058 17.859 -29.140 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.899 19.242 -29.880 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.060 17.648 -32.260 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.003 18.806 -31.292 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.578 17.133 -31.487 1.00 0.00 H new ATOM 429 N VAL A 28 12.014 20.313 -28.357 1.00 0.00 N ATOM 430 CA VAL A 28 11.201 21.511 -28.535 1.00 0.00 C ATOM 431 C VAL A 28 12.058 22.777 -28.497 1.00 0.00 C ATOM 432 O VAL A 28 11.628 23.839 -28.946 1.00 0.00 O ATOM 433 CB VAL A 28 10.136 21.585 -27.438 1.00 0.00 C ATOM 434 CG1 VAL A 28 9.247 20.341 -27.503 1.00 0.00 C ATOM 435 CG2 VAL A 28 10.815 21.654 -26.068 1.00 0.00 C ATOM 0 H VAL A 28 11.788 19.766 -27.526 1.00 0.00 H new ATOM 0 HA VAL A 28 10.723 21.449 -29.513 1.00 0.00 H new ATOM 0 HB VAL A 28 9.526 22.476 -27.586 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.489 20.394 -26.722 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.761 20.292 -28.477 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.857 19.450 -27.356 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.056 21.707 -25.288 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.426 20.764 -25.920 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.447 22.541 -26.019 1.00 0.00 H new ATOM 445 N HIS A 29 13.266 22.659 -27.954 1.00 0.00 N ATOM 446 CA HIS A 29 14.165 23.804 -27.859 1.00 0.00 C ATOM 447 C HIS A 29 14.988 23.961 -29.134 1.00 0.00 C ATOM 448 O HIS A 29 15.398 25.067 -29.485 1.00 0.00 O ATOM 449 CB HIS A 29 15.105 23.628 -26.665 1.00 0.00 C ATOM 450 CG HIS A 29 16.033 24.809 -26.580 1.00 0.00 C ATOM 451 ND1 HIS A 29 15.598 26.063 -26.180 1.00 0.00 N ATOM 452 CD2 HIS A 29 17.374 24.943 -26.841 1.00 0.00 C ATOM 453 CE1 HIS A 29 16.660 26.889 -26.212 1.00 0.00 C ATOM 454 NE2 HIS A 29 17.768 26.257 -26.607 1.00 0.00 N ATOM 0 H HIS A 29 13.643 21.790 -27.576 1.00 0.00 H new ATOM 0 HA HIS A 29 13.560 24.701 -27.724 1.00 0.00 H new ATOM 0 HB2 HIS A 29 14.528 23.538 -25.744 1.00 0.00 H new ATOM 0 HB3 HIS A 29 15.679 22.708 -26.773 1.00 0.00 H new ATOM 0 HD2 HIS A 29 18.025 24.149 -27.177 1.00 0.00 H new ATOM 0 HE1 HIS A 29 16.621 27.936 -25.950 1.00 0.00 H new ATOM 0 HE2 HIS A 29 18.702 26.652 -26.714 1.00 0.00 H new ATOM 463 N SER A 30 15.234 22.849 -29.818 1.00 0.00 N ATOM 464 CA SER A 30 16.017 22.866 -31.048 1.00 0.00 C ATOM 465 C SER A 30 15.119 22.766 -32.279 1.00 0.00 C ATOM 466 O SER A 30 15.584 22.420 -33.364 1.00 0.00 O ATOM 467 CB SER A 30 16.996 21.691 -31.041 1.00 0.00 C ATOM 468 OG SER A 30 18.276 22.150 -30.627 1.00 0.00 O ATOM 0 H SER A 30 14.903 21.925 -29.542 1.00 0.00 H new ATOM 0 HA SER A 30 16.559 23.811 -31.095 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.641 20.911 -30.368 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.059 21.249 -32.035 1.00 0.00 H new ATOM 0 HG SER A 30 18.840 21.382 -30.396 1.00 0.00 H new ATOM 474 N SER A 31 13.836 23.070 -32.115 1.00 0.00 N ATOM 475 CA SER A 31 12.909 23.001 -33.240 1.00 0.00 C ATOM 476 C SER A 31 13.438 23.827 -34.410 1.00 0.00 C ATOM 477 O SER A 31 13.534 23.338 -35.535 1.00 0.00 O ATOM 478 CB SER A 31 11.534 23.523 -32.821 1.00 0.00 C ATOM 479 OG SER A 31 10.659 23.492 -33.941 1.00 0.00 O ATOM 0 H SER A 31 13.419 23.362 -31.231 1.00 0.00 H new ATOM 0 HA SER A 31 12.817 21.961 -33.552 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.131 22.912 -32.013 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.619 24.540 -32.439 1.00 0.00 H new ATOM 0 HG SER A 31 9.776 23.825 -33.676 1.00 0.00 H new ATOM 485 N ASN A 32 13.783 25.080 -34.131 1.00 0.00 N ATOM 486 CA ASN A 32 14.306 25.967 -35.164 1.00 0.00 C ATOM 487 C ASN A 32 15.430 25.278 -35.930 1.00 0.00 C ATOM 488 O ASN A 32 15.394 25.184 -37.156 1.00 0.00 O ATOM 489 CB ASN A 32 14.827 27.260 -34.534 1.00 0.00 C ATOM 490 CG ASN A 32 15.620 26.943 -33.271 1.00 0.00 C ATOM 491 OD1 ASN A 32 15.051 26.493 -32.276 1.00 0.00 O ATOM 492 ND2 ASN A 32 16.908 27.152 -33.251 1.00 0.00 N ATOM 0 H ASN A 32 13.711 25.502 -33.205 1.00 0.00 H new ATOM 0 HA ASN A 32 13.500 26.208 -35.857 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.458 27.792 -35.246 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.993 27.919 -34.293 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.446 26.943 -32.410 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.377 27.525 -34.076 1.00 0.00 H new ATOM 499 N ASN A 33 16.423 24.794 -35.196 1.00 0.00 N ATOM 500 CA ASN A 33 17.556 24.106 -35.807 1.00 0.00 C ATOM 501 C ASN A 33 17.084 22.920 -36.644 1.00 0.00 C ATOM 502 O ASN A 33 17.579 22.697 -37.747 1.00 0.00 O ATOM 503 CB ASN A 33 18.513 23.613 -34.719 1.00 0.00 C ATOM 504 CG ASN A 33 19.233 24.798 -34.084 1.00 0.00 C ATOM 505 OD1 ASN A 33 19.088 25.045 -32.887 1.00 0.00 O ATOM 506 ND2 ASN A 33 20.006 25.550 -34.819 1.00 0.00 N ATOM 0 H ASN A 33 16.469 24.864 -34.179 1.00 0.00 H new ATOM 0 HA ASN A 33 18.072 24.810 -36.459 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.960 23.063 -33.958 1.00 0.00 H new ATOM 0 HB3 ASN A 33 19.239 22.922 -35.147 1.00 0.00 H new ATOM 0 HD21 ASN A 33 20.491 26.344 -34.402 1.00 0.00 H new ATOM 0 HD22 ASN A 33 20.125 25.344 -35.811 1.00 0.00 H new ATOM 513 N PHE A 34 16.136 22.156 -36.115 1.00 0.00 N ATOM 514 CA PHE A 34 15.620 20.991 -36.826 1.00 0.00 C ATOM 515 C PHE A 34 15.044 21.379 -38.186 1.00 0.00 C ATOM 516 O PHE A 34 15.380 20.777 -39.206 1.00 0.00 O ATOM 517 CB PHE A 34 14.528 20.321 -35.990 1.00 0.00 C ATOM 518 CG PHE A 34 14.013 19.103 -36.718 1.00 0.00 C ATOM 519 CD1 PHE A 34 14.846 17.992 -36.898 1.00 0.00 C ATOM 520 CD2 PHE A 34 12.703 19.083 -37.212 1.00 0.00 C ATOM 521 CE1 PHE A 34 14.369 16.861 -37.572 1.00 0.00 C ATOM 522 CE2 PHE A 34 12.226 17.952 -37.886 1.00 0.00 C ATOM 523 CZ PHE A 34 13.059 16.842 -38.067 1.00 0.00 C ATOM 0 H PHE A 34 15.711 22.320 -35.202 1.00 0.00 H new ATOM 0 HA PHE A 34 16.448 20.301 -36.987 1.00 0.00 H new ATOM 0 HB2 PHE A 34 14.925 20.035 -35.016 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.713 21.021 -35.809 1.00 0.00 H new ATOM 0 HD1 PHE A 34 15.856 18.007 -36.517 1.00 0.00 H new ATOM 0 HD2 PHE A 34 12.060 19.940 -37.073 1.00 0.00 H new ATOM 0 HE1 PHE A 34 15.011 16.004 -37.710 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.215 17.936 -38.266 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.692 15.971 -38.589 1.00 0.00 H new ATOM 533 N GLY A 35 14.164 22.375 -38.193 1.00 0.00 N ATOM 534 CA GLY A 35 13.537 22.815 -39.436 1.00 0.00 C ATOM 535 C GLY A 35 14.557 23.429 -40.391 1.00 0.00 C ATOM 536 O GLY A 35 14.550 23.144 -41.587 1.00 0.00 O ATOM 0 H GLY A 35 13.871 22.889 -37.362 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.050 21.968 -39.918 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.760 23.546 -39.214 1.00 0.00 H new ATOM 540 N ALA A 36 15.424 24.279 -39.855 1.00 0.00 N ATOM 541 CA ALA A 36 16.441 24.938 -40.670 1.00 0.00 C ATOM 542 C ALA A 36 17.379 23.916 -41.305 1.00 0.00 C ATOM 543 O ALA A 36 17.760 24.049 -42.468 1.00 0.00 O ATOM 544 CB ALA A 36 17.250 25.909 -39.808 1.00 0.00 C ATOM 0 H ALA A 36 15.445 24.528 -38.866 1.00 0.00 H new ATOM 0 HA ALA A 36 15.937 25.487 -41.465 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.007 26.397 -40.422 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.584 26.662 -39.386 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.736 25.361 -39.001 1.00 0.00 H new ATOM 550 N ILE A 37 17.753 22.900 -40.535 1.00 0.00 N ATOM 551 CA ILE A 37 18.653 21.866 -41.034 1.00 0.00 C ATOM 552 C ILE A 37 17.961 20.993 -42.076 1.00 0.00 C ATOM 553 O ILE A 37 18.534 20.694 -43.124 1.00 0.00 O ATOM 554 CB ILE A 37 19.144 20.993 -39.878 1.00 0.00 C ATOM 555 CG1 ILE A 37 20.103 21.800 -38.999 1.00 0.00 C ATOM 556 CG2 ILE A 37 19.874 19.770 -40.436 1.00 0.00 C ATOM 557 CD1 ILE A 37 20.361 21.043 -37.695 1.00 0.00 C ATOM 0 H ILE A 37 17.450 22.770 -39.570 1.00 0.00 H new ATOM 0 HA ILE A 37 19.504 22.359 -41.505 1.00 0.00 H new ATOM 0 HB ILE A 37 18.291 20.668 -39.282 1.00 0.00 H new ATOM 0 HG12 ILE A 37 21.042 21.968 -39.526 1.00 0.00 H new ATOM 0 HG13 ILE A 37 19.678 22.781 -38.784 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.224 19.148 -39.612 1.00 0.00 H new ATOM 0 HG22 ILE A 37 19.193 19.194 -41.062 1.00 0.00 H new ATOM 0 HG23 ILE A 37 20.726 20.096 -41.032 1.00 0.00 H new ATOM 0 HD11 ILE A 37 21.044 21.618 -37.070 1.00 0.00 H new ATOM 0 HD12 ILE A 37 19.419 20.898 -37.166 1.00 0.00 H new ATOM 0 HD13 ILE A 37 20.804 20.073 -37.919 1.00 0.00 H new ATOM 569 N LEU A 38 16.730 20.582 -41.788 1.00 0.00 N ATOM 570 CA LEU A 38 15.985 19.740 -42.717 1.00 0.00 C ATOM 571 C LEU A 38 15.698 20.497 -44.011 1.00 0.00 C ATOM 572 O LEU A 38 15.744 19.926 -45.100 1.00 0.00 O ATOM 573 CB LEU A 38 14.667 19.293 -42.076 1.00 0.00 C ATOM 574 CG LEU A 38 13.907 18.368 -43.033 1.00 0.00 C ATOM 575 CD1 LEU A 38 14.700 17.075 -43.238 1.00 0.00 C ATOM 576 CD2 LEU A 38 12.539 18.035 -42.433 1.00 0.00 C ATOM 0 H LEU A 38 16.232 20.815 -40.929 1.00 0.00 H new ATOM 0 HA LEU A 38 16.588 18.863 -42.950 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.866 18.775 -41.138 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.056 20.163 -41.836 1.00 0.00 H new ATOM 0 HG LEU A 38 13.776 18.867 -43.993 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.157 16.419 -43.919 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.676 17.310 -43.662 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.832 16.573 -42.279 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.995 17.377 -43.111 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.674 17.536 -41.473 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.972 18.954 -42.287 1.00 0.00 H new ATOM 588 N SER A 39 15.397 21.784 -43.881 1.00 0.00 N ATOM 589 CA SER A 39 15.097 22.611 -45.043 1.00 0.00 C ATOM 590 C SER A 39 16.234 22.547 -46.059 1.00 0.00 C ATOM 591 O SER A 39 16.002 22.587 -47.268 1.00 0.00 O ATOM 592 CB SER A 39 14.881 24.061 -44.610 1.00 0.00 C ATOM 593 OG SER A 39 13.664 24.158 -43.880 1.00 0.00 O ATOM 0 H SER A 39 15.354 22.275 -42.988 1.00 0.00 H new ATOM 0 HA SER A 39 14.188 22.230 -45.509 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.715 24.397 -43.994 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.847 24.712 -45.483 1.00 0.00 H new ATOM 0 HG SER A 39 13.751 23.674 -43.033 1.00 0.00 H new ATOM 599 N SER A 40 17.463 22.452 -45.561 1.00 0.00 N ATOM 600 CA SER A 40 18.629 22.387 -46.436 1.00 0.00 C ATOM 601 C SER A 40 18.959 20.941 -46.804 1.00 0.00 C ATOM 602 O SER A 40 20.084 20.636 -47.199 1.00 0.00 O ATOM 603 CB SER A 40 19.834 23.024 -45.744 1.00 0.00 C ATOM 604 OG SER A 40 19.583 24.409 -45.545 1.00 0.00 O ATOM 0 H SER A 40 17.677 22.419 -44.564 1.00 0.00 H new ATOM 0 HA SER A 40 18.398 22.933 -47.350 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.019 22.535 -44.788 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.730 22.888 -46.350 1.00 0.00 H new ATOM 0 HG SER A 40 20.353 24.820 -45.100 1.00 0.00 H new ATOM 610 N THR A 41 17.976 20.055 -46.674 1.00 0.00 N ATOM 611 CA THR A 41 18.184 18.648 -47.000 1.00 0.00 C ATOM 612 C THR A 41 18.689 18.492 -48.433 1.00 0.00 C ATOM 613 O THR A 41 19.294 17.477 -48.779 1.00 0.00 O ATOM 614 CB THR A 41 16.875 17.872 -46.834 1.00 0.00 C ATOM 615 OG1 THR A 41 17.070 16.527 -47.248 1.00 0.00 O ATOM 616 CG2 THR A 41 15.784 18.518 -47.688 1.00 0.00 C ATOM 0 H THR A 41 17.037 20.283 -46.349 1.00 0.00 H new ATOM 0 HA THR A 41 18.934 18.248 -46.318 1.00 0.00 H new ATOM 0 HB THR A 41 16.571 17.891 -45.788 1.00 0.00 H new ATOM 0 HG1 THR A 41 17.277 15.971 -46.468 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.853 17.964 -47.569 1.00 0.00 H new ATOM 0 HG22 THR A 41 15.636 19.550 -47.370 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.084 18.501 -48.736 1.00 0.00 H new ATOM 624 N ASN A 42 18.439 19.502 -49.262 1.00 0.00 N ATOM 625 CA ASN A 42 18.875 19.460 -50.654 1.00 0.00 C ATOM 626 C ASN A 42 20.385 19.244 -50.748 1.00 0.00 C ATOM 627 O ASN A 42 20.898 18.854 -51.797 1.00 0.00 O ATOM 628 CB ASN A 42 18.499 20.766 -51.357 1.00 0.00 C ATOM 629 CG ASN A 42 19.258 21.932 -50.733 1.00 0.00 C ATOM 630 OD1 ASN A 42 19.790 21.809 -49.630 1.00 0.00 O ATOM 631 ND2 ASN A 42 19.338 23.065 -51.376 1.00 0.00 N ATOM 0 H ASN A 42 17.941 20.352 -48.997 1.00 0.00 H new ATOM 0 HA ASN A 42 18.375 18.624 -51.142 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.732 20.697 -52.420 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.425 20.936 -51.277 1.00 0.00 H new ATOM 0 HD21 ASN A 42 19.842 23.850 -50.964 1.00 0.00 H new ATOM 0 HD22 ASN A 42 18.896 23.165 -52.290 1.00 0.00 H new ATOM 638 N VAL A 43 21.093 19.498 -49.650 1.00 0.00 N ATOM 639 CA VAL A 43 22.542 19.325 -49.631 1.00 0.00 C ATOM 640 C VAL A 43 22.927 17.924 -50.099 1.00 0.00 C ATOM 641 O VAL A 43 24.050 17.699 -50.550 1.00 0.00 O ATOM 642 CB VAL A 43 23.075 19.557 -48.216 1.00 0.00 C ATOM 643 CG1 VAL A 43 22.623 18.414 -47.306 1.00 0.00 C ATOM 644 CG2 VAL A 43 24.604 19.606 -48.251 1.00 0.00 C ATOM 0 H VAL A 43 20.691 19.821 -48.770 1.00 0.00 H new ATOM 0 HA VAL A 43 22.983 20.053 -50.312 1.00 0.00 H new ATOM 0 HB VAL A 43 22.688 20.501 -47.832 1.00 0.00 H new ATOM 0 HG11 VAL A 43 23.003 18.580 -46.298 1.00 0.00 H new ATOM 0 HG12 VAL A 43 21.534 18.377 -47.282 1.00 0.00 H new ATOM 0 HG13 VAL A 43 23.010 17.470 -47.689 1.00 0.00 H new ATOM 0 HG21 VAL A 43 24.986 19.771 -47.244 1.00 0.00 H new ATOM 0 HG22 VAL A 43 24.990 18.661 -48.635 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.927 20.420 -48.900 1.00 0.00 H new ATOM 654 N GLY A 44 21.992 16.984 -49.988 1.00 0.00 N ATOM 655 CA GLY A 44 22.254 15.610 -50.403 1.00 0.00 C ATOM 656 C GLY A 44 21.471 14.611 -49.553 1.00 0.00 C ATOM 657 O GLY A 44 21.343 13.442 -49.920 1.00 0.00 O ATOM 0 H GLY A 44 21.055 17.146 -49.618 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.984 15.488 -51.452 1.00 0.00 H new ATOM 0 HA3 GLY A 44 23.321 15.401 -50.322 1.00 0.00 H new ATOM 661 N SER A 45 20.948 15.071 -48.419 1.00 0.00 N ATOM 662 CA SER A 45 20.183 14.198 -47.535 1.00 0.00 C ATOM 663 C SER A 45 18.695 14.273 -47.863 1.00 0.00 C ATOM 664 O SER A 45 17.848 14.147 -46.979 1.00 0.00 O ATOM 665 CB SER A 45 20.407 14.605 -46.078 1.00 0.00 C ATOM 666 OG SER A 45 19.978 15.948 -45.895 1.00 0.00 O ATOM 0 H SER A 45 21.039 16.033 -48.094 1.00 0.00 H new ATOM 0 HA SER A 45 20.525 13.174 -47.683 1.00 0.00 H new ATOM 0 HB2 SER A 45 19.854 13.941 -45.414 1.00 0.00 H new ATOM 0 HB3 SER A 45 21.462 14.509 -45.819 1.00 0.00 H new ATOM 0 HG SER A 45 20.119 16.212 -44.962 1.00 0.00 H new ATOM 672 N ASN A 46 18.385 14.481 -49.139 1.00 0.00 N ATOM 673 CA ASN A 46 16.995 14.573 -49.573 1.00 0.00 C ATOM 674 C ASN A 46 16.485 13.216 -50.052 1.00 0.00 C ATOM 675 O ASN A 46 15.536 13.140 -50.831 1.00 0.00 O ATOM 676 CB ASN A 46 16.869 15.595 -50.704 1.00 0.00 C ATOM 677 CG ASN A 46 17.599 15.092 -51.945 1.00 0.00 C ATOM 678 OD1 ASN A 46 18.329 14.103 -51.879 1.00 0.00 O ATOM 679 ND2 ASN A 46 17.444 15.717 -53.080 1.00 0.00 N ATOM 0 H ASN A 46 19.072 14.588 -49.886 1.00 0.00 H new ATOM 0 HA ASN A 46 16.392 14.892 -48.723 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.818 15.766 -50.935 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.286 16.551 -50.389 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.928 15.386 -53.915 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.839 16.536 -53.133 1.00 0.00 H new ATOM 686 N THR A 47 17.120 12.147 -49.580 1.00 0.00 N ATOM 687 CA THR A 47 16.718 10.799 -49.969 1.00 0.00 C ATOM 688 C THR A 47 15.716 10.229 -48.970 1.00 0.00 C ATOM 689 O THR A 47 15.639 9.016 -48.777 1.00 0.00 O ATOM 690 CB THR A 47 17.945 9.888 -50.041 1.00 0.00 C ATOM 691 OG1 THR A 47 19.114 10.682 -50.189 1.00 0.00 O ATOM 692 CG2 THR A 47 17.812 8.942 -51.235 1.00 0.00 C ATOM 0 H THR A 47 17.908 12.187 -48.933 1.00 0.00 H new ATOM 0 HA THR A 47 16.246 10.850 -50.950 1.00 0.00 H new ATOM 0 HB THR A 47 18.017 9.302 -49.125 1.00 0.00 H new ATOM 0 HG1 THR A 47 19.901 10.100 -50.234 1.00 0.00 H new ATOM 0 HG21 THR A 47 18.687 8.294 -51.285 1.00 0.00 H new ATOM 0 HG22 THR A 47 16.915 8.333 -51.119 1.00 0.00 H new ATOM 0 HG23 THR A 47 17.739 9.524 -52.154 1.00 0.00 H new ATOM 700 N TYR A 48 14.952 11.113 -48.336 1.00 0.00 N ATOM 701 CA TYR A 48 13.958 10.687 -47.356 1.00 0.00 C ATOM 702 C TYR A 48 12.553 11.080 -47.807 1.00 0.00 C ATOM 703 O TYR A 48 11.647 11.227 -46.986 1.00 0.00 O ATOM 704 CB TYR A 48 14.261 11.321 -45.995 1.00 0.00 C ATOM 705 CG TYR A 48 13.914 12.792 -46.025 1.00 0.00 C ATOM 706 CD1 TYR A 48 12.765 13.254 -45.372 1.00 0.00 C ATOM 707 CD2 TYR A 48 14.741 13.693 -46.706 1.00 0.00 C ATOM 708 CE1 TYR A 48 12.443 14.616 -45.400 1.00 0.00 C ATOM 709 CE2 TYR A 48 14.420 15.055 -46.733 1.00 0.00 C ATOM 710 CZ TYR A 48 13.271 15.517 -46.080 1.00 0.00 C ATOM 711 OH TYR A 48 12.954 16.860 -46.108 1.00 0.00 O ATOM 0 H TYR A 48 15.001 12.121 -48.481 1.00 0.00 H new ATOM 0 HA TYR A 48 14.004 9.602 -47.268 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.689 10.819 -45.215 1.00 0.00 H new ATOM 0 HB3 TYR A 48 15.315 11.192 -45.750 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.127 12.559 -44.846 1.00 0.00 H new ATOM 0 HD2 TYR A 48 15.627 13.337 -47.211 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.556 14.972 -44.897 1.00 0.00 H new ATOM 0 HE2 TYR A 48 15.059 15.750 -47.258 1.00 0.00 H new ATOM 0 HH TYR A 48 12.470 17.099 -45.290 1.00 0.00 H new ATOM 721 N GLY A 49 12.378 11.246 -49.115 1.00 0.00 N ATOM 722 CA GLY A 49 11.079 11.622 -49.663 1.00 0.00 C ATOM 723 C GLY A 49 9.968 10.748 -49.089 1.00 0.00 C ATOM 724 O GLY A 49 9.827 9.583 -49.459 1.00 0.00 O ATOM 0 H GLY A 49 13.114 11.127 -49.811 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.875 12.669 -49.439 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.097 11.526 -50.749 1.00 0.00 H new ATOM 728 N LYS A 50 9.183 11.322 -48.183 1.00 0.00 N ATOM 729 CA LYS A 50 8.086 10.590 -47.560 1.00 0.00 C ATOM 730 C LYS A 50 6.963 10.345 -48.562 1.00 0.00 C ATOM 731 O LYS A 50 6.183 9.403 -48.416 1.00 0.00 O ATOM 732 CB LYS A 50 7.544 11.381 -46.368 1.00 0.00 C ATOM 733 CG LYS A 50 8.594 11.414 -45.256 1.00 0.00 C ATOM 734 CD LYS A 50 7.986 12.029 -43.993 1.00 0.00 C ATOM 735 CE LYS A 50 7.748 13.524 -44.213 1.00 0.00 C ATOM 736 NZ LYS A 50 9.041 14.192 -44.530 1.00 0.00 N ATOM 0 H LYS A 50 9.285 12.286 -47.865 1.00 0.00 H new ATOM 0 HA LYS A 50 8.466 9.627 -47.218 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.293 12.396 -46.676 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.625 10.923 -46.002 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.948 10.405 -45.047 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.459 11.996 -45.576 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.046 11.533 -43.751 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.654 11.878 -43.145 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.040 13.674 -45.028 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.306 13.968 -43.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.986 15.197 -44.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.807 13.737 -43.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.234 14.109 -45.549 1.00 0.00 H new ATOM 750 N ARG A 51 6.884 11.198 -49.578 1.00 0.00 N ATOM 751 CA ARG A 51 5.849 11.063 -50.597 1.00 0.00 C ATOM 752 C ARG A 51 5.982 9.733 -51.336 1.00 0.00 C ATOM 753 O ARG A 51 5.037 9.275 -51.979 1.00 0.00 O ATOM 754 CB ARG A 51 5.941 12.218 -51.596 1.00 0.00 C ATOM 755 CG ARG A 51 7.194 12.055 -52.460 1.00 0.00 C ATOM 756 CD ARG A 51 7.380 13.300 -53.328 1.00 0.00 C ATOM 757 NE ARG A 51 8.535 13.137 -54.206 1.00 0.00 N ATOM 758 CZ ARG A 51 9.782 13.326 -53.770 1.00 0.00 C ATOM 759 NH1 ARG A 51 10.015 13.663 -52.526 1.00 0.00 N ATOM 760 NH2 ARG A 51 10.783 13.173 -54.593 1.00 0.00 N ATOM 0 H ARG A 51 7.519 11.984 -49.718 1.00 0.00 H new ATOM 0 HA ARG A 51 4.879 11.089 -50.101 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.052 12.237 -52.227 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.975 13.169 -51.065 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.069 11.906 -51.827 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.102 11.170 -53.090 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.484 13.474 -53.923 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.517 14.176 -52.694 1.00 0.00 H new ATOM 0 HE ARG A 51 8.385 12.871 -55.179 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.238 13.784 -51.876 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.973 13.804 -52.207 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.610 12.910 -55.563 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.739 13.316 -54.266 1.00 0.00 H new ATOM 774 N ASN A 52 7.155 9.112 -51.241 1.00 0.00 N ATOM 775 CA ASN A 52 7.386 7.835 -51.905 1.00 0.00 C ATOM 776 C ASN A 52 6.538 6.738 -51.269 1.00 0.00 C ATOM 777 O ASN A 52 6.225 5.733 -51.907 1.00 0.00 O ATOM 778 CB ASN A 52 8.866 7.457 -51.812 1.00 0.00 C ATOM 779 CG ASN A 52 9.108 6.129 -52.521 1.00 0.00 C ATOM 780 OD1 ASN A 52 8.983 6.044 -53.743 1.00 0.00 O ATOM 781 ND2 ASN A 52 9.447 5.080 -51.822 1.00 0.00 N ATOM 0 H ASN A 52 7.953 9.469 -50.715 1.00 0.00 H new ATOM 0 HA ASN A 52 7.102 7.936 -52.953 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.479 8.237 -52.264 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.166 7.381 -50.767 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.609 4.187 -52.288 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.550 5.153 -50.810 1.00 0.00 H new ATOM 788 N ALA A 53 6.175 6.935 -50.005 1.00 0.00 N ATOM 789 CA ALA A 53 5.369 5.954 -49.289 1.00 0.00 C ATOM 790 C ALA A 53 4.082 5.654 -50.051 1.00 0.00 C ATOM 791 O ALA A 53 3.630 4.510 -50.100 1.00 0.00 O ATOM 792 CB ALA A 53 5.025 6.481 -47.895 1.00 0.00 C ATOM 0 H ALA A 53 6.425 7.760 -49.459 1.00 0.00 H new ATOM 0 HA ALA A 53 5.947 5.034 -49.200 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.423 5.743 -47.365 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.944 6.666 -47.339 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.463 7.410 -47.986 1.00 0.00 H new ATOM 798 N VAL A 54 3.493 6.688 -50.642 1.00 0.00 N ATOM 799 CA VAL A 54 2.257 6.515 -51.395 1.00 0.00 C ATOM 800 C VAL A 54 2.547 5.909 -52.767 1.00 0.00 C ATOM 801 O VAL A 54 1.721 5.185 -53.320 1.00 0.00 O ATOM 802 CB VAL A 54 1.537 7.860 -51.551 1.00 0.00 C ATOM 803 CG1 VAL A 54 1.987 8.553 -52.840 1.00 0.00 C ATOM 804 CG2 VAL A 54 0.026 7.621 -51.604 1.00 0.00 C ATOM 0 H VAL A 54 3.847 7.644 -50.615 1.00 0.00 H new ATOM 0 HA VAL A 54 1.610 5.833 -50.844 1.00 0.00 H new ATOM 0 HB VAL A 54 1.782 8.497 -50.701 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.469 9.507 -52.940 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.063 8.726 -52.804 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.750 7.920 -53.695 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.490 8.575 -51.715 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.211 6.979 -52.453 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.299 7.138 -50.682 1.00 0.00 H new ATOM 814 N GLU A 55 3.724 6.209 -53.310 1.00 0.00 N ATOM 815 CA GLU A 55 4.106 5.685 -54.617 1.00 0.00 C ATOM 816 C GLU A 55 4.212 4.163 -54.578 1.00 0.00 C ATOM 817 O GLU A 55 3.664 3.474 -55.439 1.00 0.00 O ATOM 818 CB GLU A 55 5.448 6.283 -55.047 1.00 0.00 C ATOM 819 CG GLU A 55 5.710 5.949 -56.518 1.00 0.00 C ATOM 820 CD GLU A 55 6.301 4.548 -56.646 1.00 0.00 C ATOM 821 OE1 GLU A 55 7.000 4.133 -55.735 1.00 0.00 O ATOM 822 OE2 GLU A 55 6.046 3.909 -57.653 1.00 0.00 O ATOM 0 H GLU A 55 4.424 6.807 -52.870 1.00 0.00 H new ATOM 0 HA GLU A 55 3.337 5.963 -55.337 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.439 7.364 -54.905 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.250 5.887 -54.425 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.780 6.012 -57.083 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.394 6.680 -56.948 1.00 0.00 H new ATOM 829 N VAL A 56 4.917 3.642 -53.579 1.00 0.00 N ATOM 830 CA VAL A 56 5.078 2.198 -53.453 1.00 0.00 C ATOM 831 C VAL A 56 3.746 1.538 -53.109 1.00 0.00 C ATOM 832 O VAL A 56 3.425 0.465 -53.620 1.00 0.00 O ATOM 833 CB VAL A 56 6.119 1.869 -52.377 1.00 0.00 C ATOM 834 CG1 VAL A 56 5.670 2.428 -51.025 1.00 0.00 C ATOM 835 CG2 VAL A 56 6.274 0.351 -52.270 1.00 0.00 C ATOM 0 H VAL A 56 5.380 4.189 -52.854 1.00 0.00 H new ATOM 0 HA VAL A 56 5.424 1.808 -54.410 1.00 0.00 H new ATOM 0 HB VAL A 56 7.072 2.320 -52.652 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.416 2.189 -50.267 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.559 3.510 -51.097 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.715 1.983 -50.747 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.014 0.114 -51.505 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.317 -0.094 -51.999 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.602 -0.050 -53.229 1.00 0.00 H new ATOM 845 N LEU A 57 2.975 2.185 -52.239 1.00 0.00 N ATOM 846 CA LEU A 57 1.679 1.653 -51.831 1.00 0.00 C ATOM 847 C LEU A 57 0.859 1.223 -53.043 1.00 0.00 C ATOM 848 O LEU A 57 0.422 0.075 -53.131 1.00 0.00 O ATOM 849 CB LEU A 57 0.903 2.712 -51.044 1.00 0.00 C ATOM 850 CG LEU A 57 0.734 2.251 -49.595 1.00 0.00 C ATOM 851 CD1 LEU A 57 2.007 2.562 -48.806 1.00 0.00 C ATOM 852 CD2 LEU A 57 -0.450 2.987 -48.963 1.00 0.00 C ATOM 0 H LEU A 57 3.224 3.074 -51.805 1.00 0.00 H new ATOM 0 HA LEU A 57 1.855 0.781 -51.201 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.433 3.664 -51.074 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.073 2.877 -51.500 1.00 0.00 H new ATOM 0 HG LEU A 57 0.550 1.177 -49.575 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.885 2.233 -47.774 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.851 2.039 -49.256 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.194 3.636 -48.825 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.572 2.660 -47.930 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.264 4.061 -48.984 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.358 2.765 -49.524 1.00 0.00 H new ATOM 864 N LYS A 58 0.647 2.148 -53.973 1.00 0.00 N ATOM 865 CA LYS A 58 -0.132 1.843 -55.168 1.00 0.00 C ATOM 866 C LYS A 58 0.562 0.769 -55.998 1.00 0.00 C ATOM 867 O LYS A 58 -0.089 -0.038 -56.661 1.00 0.00 O ATOM 868 CB LYS A 58 -0.317 3.106 -56.012 1.00 0.00 C ATOM 869 CG LYS A 58 -1.284 4.061 -55.306 1.00 0.00 C ATOM 870 CD LYS A 58 -2.716 3.541 -55.451 1.00 0.00 C ATOM 871 CE LYS A 58 -3.699 4.612 -54.974 1.00 0.00 C ATOM 872 NZ LYS A 58 -3.587 4.766 -53.496 1.00 0.00 N ATOM 0 H LYS A 58 0.999 3.104 -53.924 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.109 1.472 -54.857 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.644 3.596 -56.167 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.704 2.844 -56.997 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.022 4.146 -54.251 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.204 5.059 -55.736 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.918 3.285 -56.491 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.844 2.629 -54.868 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.487 5.561 -55.466 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.717 4.333 -55.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.334 5.405 -53.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.693 3.837 -53.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.656 5.164 -53.258 1.00 0.00 H new ATOM 886 N ARG A 59 1.891 0.769 -55.956 1.00 0.00 N ATOM 887 CA ARG A 59 2.674 -0.206 -56.705 1.00 0.00 C ATOM 888 C ARG A 59 2.459 -1.610 -56.148 1.00 0.00 C ATOM 889 O ARG A 59 2.557 -2.599 -56.875 1.00 0.00 O ATOM 890 CB ARG A 59 4.160 0.152 -56.633 1.00 0.00 C ATOM 891 CG ARG A 59 4.911 -0.552 -57.765 1.00 0.00 C ATOM 892 CD ARG A 59 5.627 -1.787 -57.214 1.00 0.00 C ATOM 893 NE ARG A 59 6.350 -2.469 -58.283 1.00 0.00 N ATOM 894 CZ ARG A 59 7.244 -3.426 -58.027 1.00 0.00 C ATOM 895 NH1 ARG A 59 7.507 -3.786 -56.796 1.00 0.00 N ATOM 896 NH2 ARG A 59 7.865 -4.009 -59.016 1.00 0.00 N ATOM 0 H ARG A 59 2.446 1.431 -55.413 1.00 0.00 H new ATOM 0 HA ARG A 59 2.345 -0.186 -57.744 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.289 1.231 -56.713 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.571 -0.147 -55.669 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.215 -0.843 -58.551 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.633 0.129 -58.215 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.320 -1.493 -56.426 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.903 -2.466 -56.764 1.00 0.00 H new ATOM 0 HE ARG A 59 6.167 -2.207 -59.252 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.026 -3.333 -56.019 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.193 -4.519 -56.614 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.666 -3.732 -59.977 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.550 -4.741 -58.828 1.00 0.00 H new ATOM 910 N GLU A 60 2.170 -1.690 -54.853 1.00 0.00 N ATOM 911 CA GLU A 60 1.948 -2.978 -54.207 1.00 0.00 C ATOM 912 C GLU A 60 0.572 -3.021 -53.548 1.00 0.00 C ATOM 913 O GLU A 60 0.457 -2.939 -52.325 1.00 0.00 O ATOM 914 CB GLU A 60 3.026 -3.223 -53.150 1.00 0.00 C ATOM 915 CG GLU A 60 4.395 -3.310 -53.827 1.00 0.00 C ATOM 916 CD GLU A 60 4.446 -4.528 -54.744 1.00 0.00 C ATOM 917 OE1 GLU A 60 3.739 -5.483 -54.467 1.00 0.00 O ATOM 918 OE2 GLU A 60 5.190 -4.487 -55.709 1.00 0.00 O ATOM 0 H GLU A 60 2.085 -0.884 -54.234 1.00 0.00 H new ATOM 0 HA GLU A 60 1.998 -3.756 -54.968 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.022 -2.416 -52.417 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.817 -4.146 -52.609 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.584 -2.403 -54.402 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.179 -3.379 -53.073 1.00 0.00 H new ATOM 925 N PRO A 61 -0.465 -3.150 -54.333 1.00 0.00 N ATOM 926 CA PRO A 61 -1.866 -3.209 -53.820 1.00 0.00 C ATOM 927 C PRO A 61 -2.147 -4.486 -53.028 1.00 0.00 C ATOM 928 O PRO A 61 -3.181 -4.601 -52.370 1.00 0.00 O ATOM 929 CB PRO A 61 -2.724 -3.154 -55.087 1.00 0.00 C ATOM 930 CG PRO A 61 -1.841 -3.636 -56.189 1.00 0.00 C ATOM 931 CD PRO A 61 -0.413 -3.256 -55.800 1.00 0.00 C ATOM 0 HA PRO A 61 -2.073 -2.397 -53.123 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.609 -3.783 -54.989 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.074 -2.140 -55.280 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.934 -4.714 -56.317 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.120 -3.177 -57.138 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.304 -4.012 -56.121 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.111 -2.315 -56.259 1.00 0.00 H new ATOM 939 N LEU A 62 -1.226 -5.444 -53.096 1.00 0.00 N ATOM 940 CA LEU A 62 -1.396 -6.703 -52.381 1.00 0.00 C ATOM 941 C LEU A 62 -1.542 -6.451 -50.883 1.00 0.00 C ATOM 942 O LEU A 62 -2.379 -7.063 -50.221 1.00 0.00 O ATOM 943 CB LEU A 62 -0.193 -7.615 -52.634 1.00 0.00 C ATOM 944 CG LEU A 62 -0.484 -9.010 -52.080 1.00 0.00 C ATOM 945 CD1 LEU A 62 0.028 -10.066 -53.060 1.00 0.00 C ATOM 946 CD2 LEU A 62 0.224 -9.180 -50.734 1.00 0.00 C ATOM 0 H LEU A 62 -0.362 -5.373 -53.634 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.301 -7.189 -52.746 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.015 -7.673 -53.703 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.696 -7.202 -52.158 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.559 -9.130 -51.945 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.180 -11.060 -52.665 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.474 -9.945 -54.020 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.103 -9.946 -53.195 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.018 -10.174 -50.337 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.299 -9.060 -50.870 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.139 -8.428 -50.034 1.00 0.00 H new ATOM 958 N ASN A 63 -0.722 -5.547 -50.355 1.00 0.00 N ATOM 959 CA ASN A 63 -0.773 -5.227 -48.934 1.00 0.00 C ATOM 960 C ASN A 63 -2.198 -4.880 -48.514 1.00 0.00 C ATOM 961 O ASN A 63 -2.600 -5.130 -47.378 1.00 0.00 O ATOM 962 CB ASN A 63 0.155 -4.049 -48.628 1.00 0.00 C ATOM 963 CG ASN A 63 -0.438 -2.756 -49.180 1.00 0.00 C ATOM 964 OD1 ASN A 63 -0.990 -2.744 -50.280 1.00 0.00 O ATOM 965 ND2 ASN A 63 -0.354 -1.659 -48.478 1.00 0.00 N ATOM 0 H ASN A 63 -0.021 -5.028 -50.884 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.444 -6.101 -48.372 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.300 -3.961 -47.551 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.136 -4.225 -49.069 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.746 -0.790 -48.841 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.104 -1.671 -47.567 1.00 0.00 H new ATOM 972 N TYR A 64 -2.957 -4.302 -49.440 1.00 0.00 N ATOM 973 CA TYR A 64 -4.337 -3.923 -49.158 1.00 0.00 C ATOM 974 C TYR A 64 -5.261 -5.132 -49.266 1.00 0.00 C ATOM 975 O TYR A 64 -6.087 -5.374 -48.386 1.00 0.00 O ATOM 976 CB TYR A 64 -4.792 -2.842 -50.140 1.00 0.00 C ATOM 977 CG TYR A 64 -6.235 -2.490 -49.870 1.00 0.00 C ATOM 978 CD1 TYR A 64 -6.564 -1.671 -48.783 1.00 0.00 C ATOM 979 CD2 TYR A 64 -7.244 -2.982 -50.706 1.00 0.00 C ATOM 980 CE1 TYR A 64 -7.902 -1.345 -48.532 1.00 0.00 C ATOM 981 CE2 TYR A 64 -8.582 -2.656 -50.456 1.00 0.00 C ATOM 982 CZ TYR A 64 -8.911 -1.837 -49.369 1.00 0.00 C ATOM 983 OH TYR A 64 -10.230 -1.516 -49.122 1.00 0.00 O ATOM 0 H TYR A 64 -2.642 -4.087 -50.386 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.385 -3.535 -48.141 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.165 -1.956 -50.038 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.679 -3.196 -51.165 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.785 -1.291 -48.138 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -6.990 -3.614 -51.544 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.156 -0.714 -47.693 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.360 -3.036 -51.101 1.00 0.00 H new ATOM 0 HH TYR A 64 -10.801 -1.938 -49.797 1.00 0.00 H new ATOM 993 N LEU A 65 -5.118 -5.885 -50.351 1.00 0.00 N ATOM 994 CA LEU A 65 -5.949 -7.065 -50.565 1.00 0.00 C ATOM 995 C LEU A 65 -5.606 -8.151 -49.543 1.00 0.00 C ATOM 996 O LEU A 65 -4.520 -8.141 -48.963 1.00 0.00 O ATOM 997 CB LEU A 65 -5.729 -7.603 -51.981 1.00 0.00 C ATOM 998 CG LEU A 65 -6.237 -6.582 -53.002 1.00 0.00 C ATOM 999 CD1 LEU A 65 -5.785 -6.996 -54.404 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -7.767 -6.527 -52.956 1.00 0.00 C ATOM 0 H LEU A 65 -4.440 -5.702 -51.091 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.995 -6.783 -50.442 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.670 -7.801 -52.145 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.253 -8.550 -52.107 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.832 -5.599 -52.763 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.146 -6.270 -55.132 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.696 -7.034 -54.439 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.190 -7.980 -54.641 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.127 -5.800 -53.684 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.174 -7.510 -53.194 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.091 -6.232 -51.958 1.00 0.00 H new