USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 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 102 GLN : amide:sc= 0.379 X(o=-0.85,f=-1.2) USER MOD Set 1.2: A 106 GLN : amide:sc= -1.23 K(o=-0.85,f=-1.9) USER MOD Set 2.1: A 80 CYS SG : rot -114:sc= 0.13 USER MOD Set 2.2: A 82 THR OG1 : rot 151:sc= 0.948 USER MOD Set 3.1: A 65 TYR OH : rot 136:sc= 0.0735 USER MOD Set 3.2: A 147 ASN : amide:sc=-0.00861 K(o=0.065,f=-1.9!) USER MOD Single : A 19 THR OG1 : rot -61:sc= 0.983 USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= -1.65 (180deg=-1.68) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.12 X(o=-0.12,f=0.085) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 148:sc=-0.00216 (180deg=-1.28) USER MOD Single : A 41 THR OG1 : rot -21:sc= 1.17 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 59 TYR OH : rot 170:sc= 0.324 USER MOD Single : A 61 CYS SG : rot 180:sc= -1.43 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 34:sc= 0.159 USER MOD Single : A 70 ASN : amide:sc= -3.79 K(o=-3.8,f=-4.8!) USER MOD Single : A 73 SER OG : rot -98:sc= -0.16 USER MOD Single : A 76 SER OG : rot -143:sc= 0.452 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 84 GLN : amide:sc= -3.3! C(o=-3.3!,f=-3.2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot -106:sc= -1.34 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.87) USER MOD Single : A 105 MET CE :methyl -141:sc= -0.818 (180deg=-1.29) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 CYS SG : rot 50:sc= -1.48 USER MOD Single : A 145 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.18) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 19 11.156 -5.995 -4.255 1.00 0.00 N ATOM 235 CA THR A 19 9.860 -5.892 -4.913 1.00 0.00 C ATOM 236 C THR A 19 8.935 -7.027 -4.488 1.00 0.00 C ATOM 237 O THR A 19 8.467 -7.805 -5.319 1.00 0.00 O ATOM 238 CB THR A 19 10.005 -5.911 -6.446 1.00 0.00 C ATOM 239 OG1 THR A 19 8.713 -5.960 -7.060 1.00 0.00 O ATOM 240 CG2 THR A 19 10.832 -7.105 -6.897 1.00 0.00 C ATOM 0 HA THR A 19 9.426 -4.940 -4.608 1.00 0.00 H new ATOM 0 HB THR A 19 10.517 -4.999 -6.751 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.251 -6.779 -6.785 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.920 -7.097 -7.983 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.825 -7.049 -6.452 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.344 -8.026 -6.580 1.00 0.00 H new ATOM 248 N LYS A 20 8.675 -7.117 -3.188 1.00 0.00 N ATOM 249 CA LYS A 20 7.804 -8.156 -2.651 1.00 0.00 C ATOM 250 C LYS A 20 7.537 -7.928 -1.166 1.00 0.00 C ATOM 251 O LYS A 20 8.455 -7.647 -0.396 1.00 0.00 O ATOM 252 CB LYS A 20 8.433 -9.535 -2.861 1.00 0.00 C ATOM 253 CG LYS A 20 7.421 -10.668 -2.874 1.00 0.00 C ATOM 254 CD LYS A 20 7.873 -11.809 -3.771 1.00 0.00 C ATOM 255 CE LYS A 20 7.341 -11.648 -5.187 1.00 0.00 C ATOM 256 NZ LYS A 20 7.555 -10.270 -5.707 1.00 0.00 N ATOM 0 H LYS A 20 9.056 -6.482 -2.486 1.00 0.00 H new ATOM 0 HA LYS A 20 6.854 -8.111 -3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.980 -9.536 -3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.161 -9.718 -2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.274 -11.038 -1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.457 -10.293 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.962 -11.847 -3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.529 -12.757 -3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.834 -12.365 -5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.276 -11.881 -5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.225 -10.215 -6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.022 -9.593 -5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.568 -10.038 -5.668 1.00 0.00 H new ATOM 270 N PHE A 21 6.275 -8.053 -0.771 1.00 0.00 N ATOM 271 CA PHE A 21 5.887 -7.862 0.621 1.00 0.00 C ATOM 272 C PHE A 21 4.549 -8.536 0.911 1.00 0.00 C ATOM 273 O PHE A 21 3.586 -8.380 0.160 1.00 0.00 O ATOM 274 CB PHE A 21 5.799 -6.369 0.948 1.00 0.00 C ATOM 275 CG PHE A 21 6.994 -5.584 0.487 1.00 0.00 C ATOM 276 CD1 PHE A 21 7.168 -5.287 -0.855 1.00 0.00 C ATOM 277 CD2 PHE A 21 7.941 -5.142 1.396 1.00 0.00 C ATOM 278 CE1 PHE A 21 8.267 -4.565 -1.281 1.00 0.00 C ATOM 279 CE2 PHE A 21 9.042 -4.419 0.976 1.00 0.00 C ATOM 280 CZ PHE A 21 9.204 -4.130 -0.365 1.00 0.00 C ATOM 0 H PHE A 21 5.503 -8.286 -1.396 1.00 0.00 H new ATOM 0 HA PHE A 21 6.649 -8.321 1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.902 -5.956 0.486 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.687 -6.247 2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.437 -5.623 -1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.818 -5.365 2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.393 -4.341 -2.330 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.774 -4.081 1.695 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.062 -3.565 -0.696 1.00 0.00 H new ATOM 290 N LYS A 22 4.498 -9.288 2.005 1.00 0.00 N ATOM 291 CA LYS A 22 3.280 -9.988 2.397 1.00 0.00 C ATOM 292 C LYS A 22 2.280 -9.026 3.032 1.00 0.00 C ATOM 293 O LYS A 22 2.561 -8.413 4.062 1.00 0.00 O ATOM 294 CB LYS A 22 3.608 -11.118 3.376 1.00 0.00 C ATOM 295 CG LYS A 22 3.852 -12.456 2.700 1.00 0.00 C ATOM 296 CD LYS A 22 4.986 -12.373 1.692 1.00 0.00 C ATOM 297 CE LYS A 22 6.323 -12.724 2.327 1.00 0.00 C ATOM 298 NZ LYS A 22 6.587 -14.189 2.289 1.00 0.00 N ATOM 0 H LYS A 22 5.287 -9.429 2.637 1.00 0.00 H new ATOM 0 HA LYS A 22 2.830 -10.412 1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.493 -10.844 3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.787 -11.223 4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.088 -13.208 3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.941 -12.783 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.787 -13.051 0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.032 -11.366 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.122 -12.197 1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.336 -12.379 3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.507 -14.388 2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.838 -14.690 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.600 -14.514 1.301 1.00 0.00 H new ATOM 312 N VAL A 23 1.112 -8.899 2.411 1.00 0.00 N ATOM 313 CA VAL A 23 0.069 -8.014 2.917 1.00 0.00 C ATOM 314 C VAL A 23 -1.210 -8.787 3.218 1.00 0.00 C ATOM 315 O VAL A 23 -1.515 -9.785 2.565 1.00 0.00 O ATOM 316 CB VAL A 23 -0.248 -6.890 1.913 1.00 0.00 C ATOM 317 CG1 VAL A 23 0.948 -5.964 1.751 1.00 0.00 C ATOM 318 CG2 VAL A 23 -0.665 -7.475 0.572 1.00 0.00 C ATOM 0 H VAL A 23 0.864 -9.398 1.557 1.00 0.00 H new ATOM 0 HA VAL A 23 0.448 -7.572 3.839 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.080 -6.304 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.704 -5.177 1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.196 -5.518 2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.802 -6.534 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.885 -6.666 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.145 -8.087 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.554 -8.092 0.705 1.00 0.00 H new ATOM 328 N THR A 24 -1.957 -8.319 4.214 1.00 0.00 N ATOM 329 CA THR A 24 -3.203 -8.966 4.604 1.00 0.00 C ATOM 330 C THR A 24 -4.384 -8.012 4.469 1.00 0.00 C ATOM 331 O THR A 24 -4.500 -7.044 5.219 1.00 0.00 O ATOM 332 CB THR A 24 -3.138 -9.483 6.053 1.00 0.00 C ATOM 333 OG1 THR A 24 -1.928 -10.222 6.256 1.00 0.00 O ATOM 334 CG2 THR A 24 -4.336 -10.367 6.367 1.00 0.00 C ATOM 0 H THR A 24 -1.720 -7.494 4.765 1.00 0.00 H new ATOM 0 HA THR A 24 -3.344 -9.811 3.931 1.00 0.00 H new ATOM 0 HB THR A 24 -3.155 -8.623 6.723 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.894 -10.546 7.180 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.268 -10.720 7.396 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.254 -9.794 6.240 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.345 -11.221 5.690 1.00 0.00 H new ATOM 342 N ASN A 25 -5.258 -8.291 3.508 1.00 0.00 N ATOM 343 CA ASN A 25 -6.431 -7.456 3.275 1.00 0.00 C ATOM 344 C ASN A 25 -7.366 -7.483 4.481 1.00 0.00 C ATOM 345 O ASN A 25 -7.781 -8.550 4.935 1.00 0.00 O ATOM 346 CB ASN A 25 -7.179 -7.927 2.026 1.00 0.00 C ATOM 347 CG ASN A 25 -8.408 -7.088 1.737 1.00 0.00 C ATOM 348 OD1 ASN A 25 -9.462 -7.614 1.379 1.00 0.00 O ATOM 349 ND2 ASN A 25 -8.278 -5.776 1.892 1.00 0.00 N ATOM 0 H ASN A 25 -5.176 -9.089 2.878 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.092 -6.431 3.122 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.507 -7.890 1.168 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.475 -8.968 2.154 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.071 -5.160 1.713 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.385 -5.384 2.191 1.00 0.00 H new ATOM 356 N VAL A 26 -7.694 -6.302 4.995 1.00 0.00 N ATOM 357 CA VAL A 26 -8.581 -6.189 6.147 1.00 0.00 C ATOM 358 C VAL A 26 -9.864 -5.451 5.782 1.00 0.00 C ATOM 359 O VAL A 26 -10.073 -5.082 4.627 1.00 0.00 O ATOM 360 CB VAL A 26 -7.894 -5.456 7.315 1.00 0.00 C ATOM 361 CG1 VAL A 26 -6.505 -6.027 7.561 1.00 0.00 C ATOM 362 CG2 VAL A 26 -7.823 -3.962 7.037 1.00 0.00 C ATOM 0 H VAL A 26 -7.359 -5.410 4.632 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.826 -7.204 6.459 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.488 -5.608 8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.035 -5.497 8.389 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.585 -7.086 7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.898 -5.908 6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.335 -3.459 7.872 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.252 -3.788 6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.831 -3.566 6.915 1.00 0.00 H new ATOM 372 N ASP A 27 -10.720 -5.239 6.776 1.00 0.00 N ATOM 373 CA ASP A 27 -11.983 -4.543 6.560 1.00 0.00 C ATOM 374 C ASP A 27 -12.006 -3.215 7.311 1.00 0.00 C ATOM 375 O ASP A 27 -11.054 -2.868 8.009 1.00 0.00 O ATOM 376 CB ASP A 27 -13.155 -5.417 7.010 1.00 0.00 C ATOM 377 CG ASP A 27 -13.397 -5.338 8.504 1.00 0.00 C ATOM 378 OD1 ASP A 27 -12.584 -5.901 9.267 1.00 0.00 O ATOM 379 OD2 ASP A 27 -14.399 -4.714 8.911 1.00 0.00 O ATOM 0 H ASP A 27 -10.562 -5.539 7.738 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.080 -4.340 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.058 -5.109 6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.960 -6.452 6.731 1.00 0.00 H new ATOM 384 N ASP A 28 -13.100 -2.475 7.161 1.00 0.00 N ATOM 385 CA ASP A 28 -13.248 -1.185 7.824 1.00 0.00 C ATOM 386 C ASP A 28 -12.790 -1.265 9.277 1.00 0.00 C ATOM 387 O ASP A 28 -12.414 -0.258 9.875 1.00 0.00 O ATOM 388 CB ASP A 28 -14.703 -0.718 7.760 1.00 0.00 C ATOM 389 CG ASP A 28 -15.045 -0.070 6.433 1.00 0.00 C ATOM 390 OD1 ASP A 28 -14.577 1.061 6.187 1.00 0.00 O ATOM 391 OD2 ASP A 28 -15.781 -0.694 5.641 1.00 0.00 O ATOM 0 H ASP A 28 -13.897 -2.747 6.586 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.620 -0.463 7.303 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -15.363 -1.570 7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.890 -0.009 8.566 1.00 0.00 H new ATOM 396 N GLU A 29 -12.825 -2.470 9.837 1.00 0.00 N ATOM 397 CA GLU A 29 -12.415 -2.680 11.221 1.00 0.00 C ATOM 398 C GLU A 29 -10.927 -3.010 11.304 1.00 0.00 C ATOM 399 O GLU A 29 -10.245 -2.618 12.250 1.00 0.00 O ATOM 400 CB GLU A 29 -13.234 -3.808 11.853 1.00 0.00 C ATOM 401 CG GLU A 29 -12.446 -4.651 12.842 1.00 0.00 C ATOM 402 CD GLU A 29 -11.792 -3.819 13.927 1.00 0.00 C ATOM 403 OE1 GLU A 29 -12.461 -2.907 14.459 1.00 0.00 O ATOM 404 OE2 GLU A 29 -10.613 -4.079 14.245 1.00 0.00 O ATOM 0 H GLU A 29 -13.132 -3.315 9.355 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.596 -1.756 11.771 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.097 -3.378 12.361 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.618 -4.454 11.063 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.111 -5.382 13.301 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.679 -5.210 12.306 1.00 0.00 H new ATOM 411 N GLY A 30 -10.431 -3.733 10.305 1.00 0.00 N ATOM 412 CA GLY A 30 -9.028 -4.104 10.283 1.00 0.00 C ATOM 413 C GLY A 30 -8.810 -5.570 10.602 1.00 0.00 C ATOM 414 O GLY A 30 -7.737 -5.960 11.061 1.00 0.00 O ATOM 0 H GLY A 30 -10.975 -4.069 9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.613 -3.884 9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.483 -3.494 11.003 1.00 0.00 H new ATOM 418 N VAL A 31 -9.833 -6.384 10.362 1.00 0.00 N ATOM 419 CA VAL A 31 -9.749 -7.815 10.627 1.00 0.00 C ATOM 420 C VAL A 31 -9.039 -8.544 9.492 1.00 0.00 C ATOM 421 O VAL A 31 -9.346 -8.334 8.319 1.00 0.00 O ATOM 422 CB VAL A 31 -11.147 -8.432 10.824 1.00 0.00 C ATOM 423 CG1 VAL A 31 -11.041 -9.933 11.046 1.00 0.00 C ATOM 424 CG2 VAL A 31 -11.865 -7.763 11.986 1.00 0.00 C ATOM 0 H VAL A 31 -10.729 -6.077 9.985 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.175 -7.933 11.546 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.731 -8.263 9.919 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.038 -10.352 11.183 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.569 -10.396 10.180 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.440 -10.128 11.934 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.851 -8.211 12.111 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.286 -7.900 12.899 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.974 -6.698 11.782 1.00 0.00 H new ATOM 434 N GLU A 32 -8.089 -9.403 9.850 1.00 0.00 N ATOM 435 CA GLU A 32 -7.335 -10.163 8.860 1.00 0.00 C ATOM 436 C GLU A 32 -8.244 -11.135 8.113 1.00 0.00 C ATOM 437 O GLU A 32 -8.617 -12.184 8.639 1.00 0.00 O ATOM 438 CB GLU A 32 -6.195 -10.929 9.534 1.00 0.00 C ATOM 439 CG GLU A 32 -5.247 -10.041 10.322 1.00 0.00 C ATOM 440 CD GLU A 32 -4.609 -10.764 11.492 1.00 0.00 C ATOM 441 OE1 GLU A 32 -4.321 -11.972 11.358 1.00 0.00 O ATOM 442 OE2 GLU A 32 -4.397 -10.122 12.543 1.00 0.00 O ATOM 0 H GLU A 32 -7.824 -9.590 10.817 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.915 -9.459 8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.618 -11.678 10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.629 -11.465 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.466 -9.671 9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.791 -9.171 10.690 1.00 0.00 H new ATOM 449 N LEU A 33 -8.598 -10.777 6.883 1.00 0.00 N ATOM 450 CA LEU A 33 -9.463 -11.617 6.062 1.00 0.00 C ATOM 451 C LEU A 33 -8.645 -12.624 5.261 1.00 0.00 C ATOM 452 O LEU A 33 -8.771 -13.833 5.450 1.00 0.00 O ATOM 453 CB LEU A 33 -10.296 -10.751 5.115 1.00 0.00 C ATOM 454 CG LEU A 33 -11.166 -9.680 5.774 1.00 0.00 C ATOM 455 CD1 LEU A 33 -11.977 -8.932 4.728 1.00 0.00 C ATOM 456 CD2 LEU A 33 -12.083 -10.305 6.816 1.00 0.00 C ATOM 0 H LEU A 33 -8.300 -9.912 6.433 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.131 -12.166 6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.620 -10.261 4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.942 -11.406 4.530 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.512 -8.966 6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.590 -8.174 5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.302 -8.452 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.621 -9.633 4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.695 -9.528 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.729 -11.041 6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.482 -10.794 7.583 1.00 0.00 H new ATOM 468 N GLY A 34 -7.803 -12.116 4.365 1.00 0.00 N ATOM 469 CA GLY A 34 -6.974 -12.985 3.550 1.00 0.00 C ATOM 470 C GLY A 34 -5.573 -12.439 3.361 1.00 0.00 C ATOM 471 O GLY A 34 -5.385 -11.232 3.213 1.00 0.00 O ATOM 0 H GLY A 34 -7.681 -11.119 4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.917 -13.969 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.443 -13.120 2.575 1.00 0.00 H new ATOM 475 N SER A 35 -4.586 -13.330 3.367 1.00 0.00 N ATOM 476 CA SER A 35 -3.194 -12.930 3.200 1.00 0.00 C ATOM 477 C SER A 35 -2.737 -13.142 1.759 1.00 0.00 C ATOM 478 O SER A 35 -3.194 -14.060 1.080 1.00 0.00 O ATOM 479 CB SER A 35 -2.296 -13.720 4.153 1.00 0.00 C ATOM 480 OG SER A 35 -2.325 -15.105 3.851 1.00 0.00 O ATOM 0 H SER A 35 -4.725 -14.333 3.486 1.00 0.00 H new ATOM 0 HA SER A 35 -3.116 -11.869 3.435 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.273 -13.351 4.083 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.623 -13.562 5.181 1.00 0.00 H new ATOM 0 HG SER A 35 -1.742 -15.588 4.473 1.00 0.00 H new ATOM 486 N GLY A 36 -1.831 -12.284 1.300 1.00 0.00 N ATOM 487 CA GLY A 36 -1.326 -12.393 -0.056 1.00 0.00 C ATOM 488 C GLY A 36 -0.015 -11.658 -0.248 1.00 0.00 C ATOM 489 O GLY A 36 0.415 -10.903 0.624 1.00 0.00 O ATOM 0 H GLY A 36 -1.438 -11.515 1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.189 -13.445 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.067 -11.995 -0.749 1.00 0.00 H new ATOM 493 N VAL A 37 0.624 -11.878 -1.393 1.00 0.00 N ATOM 494 CA VAL A 37 1.894 -11.231 -1.696 1.00 0.00 C ATOM 495 C VAL A 37 1.693 -10.023 -2.605 1.00 0.00 C ATOM 496 O VAL A 37 1.081 -10.129 -3.668 1.00 0.00 O ATOM 497 CB VAL A 37 2.876 -12.209 -2.370 1.00 0.00 C ATOM 498 CG1 VAL A 37 4.168 -11.498 -2.740 1.00 0.00 C ATOM 499 CG2 VAL A 37 3.152 -13.396 -1.461 1.00 0.00 C ATOM 0 H VAL A 37 0.282 -12.500 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 37 2.315 -10.901 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 37 2.420 -12.581 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.849 -12.204 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.950 -10.684 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.632 -11.095 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.847 -14.077 -1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.588 -13.045 -0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.219 -13.919 -1.252 1.00 0.00 H new ATOM 509 N MET A 38 2.212 -8.876 -2.180 1.00 0.00 N ATOM 510 CA MET A 38 2.090 -7.648 -2.957 1.00 0.00 C ATOM 511 C MET A 38 3.348 -7.401 -3.784 1.00 0.00 C ATOM 512 O MET A 38 4.453 -7.346 -3.246 1.00 0.00 O ATOM 513 CB MET A 38 1.832 -6.457 -2.031 1.00 0.00 C ATOM 514 CG MET A 38 1.651 -5.142 -2.771 1.00 0.00 C ATOM 515 SD MET A 38 0.906 -3.863 -1.740 1.00 0.00 S ATOM 516 CE MET A 38 -0.829 -4.284 -1.879 1.00 0.00 C ATOM 0 H MET A 38 2.721 -8.771 -1.302 1.00 0.00 H new ATOM 0 HA MET A 38 1.246 -7.760 -3.637 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.940 -6.656 -1.436 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.665 -6.361 -1.335 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.620 -4.795 -3.130 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.026 -5.306 -3.649 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.341 -4.026 -0.952 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.273 -3.729 -2.706 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.930 -5.353 -2.064 1.00 0.00 H new ATOM 526 N GLU A 39 3.170 -7.254 -5.093 1.00 0.00 N ATOM 527 CA GLU A 39 4.292 -7.015 -5.993 1.00 0.00 C ATOM 528 C GLU A 39 4.224 -5.610 -6.586 1.00 0.00 C ATOM 529 O GLU A 39 3.146 -5.116 -6.919 1.00 0.00 O ATOM 530 CB GLU A 39 4.305 -8.054 -7.116 1.00 0.00 C ATOM 531 CG GLU A 39 5.389 -7.815 -8.154 1.00 0.00 C ATOM 532 CD GLU A 39 5.552 -8.983 -9.107 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.645 -9.200 -9.938 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.584 -9.680 -9.022 1.00 0.00 O ATOM 0 H GLU A 39 2.261 -7.296 -5.553 1.00 0.00 H new ATOM 0 HA GLU A 39 5.212 -7.103 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.442 -9.044 -6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.334 -8.054 -7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.150 -6.917 -8.724 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.336 -7.629 -7.648 1.00 0.00 H new ATOM 541 N LEU A 40 5.382 -4.971 -6.713 1.00 0.00 N ATOM 542 CA LEU A 40 5.455 -3.623 -7.265 1.00 0.00 C ATOM 543 C LEU A 40 6.433 -3.565 -8.434 1.00 0.00 C ATOM 544 O LEU A 40 7.647 -3.492 -8.240 1.00 0.00 O ATOM 545 CB LEU A 40 5.879 -2.630 -6.182 1.00 0.00 C ATOM 546 CG LEU A 40 4.746 -1.989 -5.378 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.291 -2.918 -4.264 1.00 0.00 C ATOM 548 CD2 LEU A 40 5.187 -0.648 -4.811 1.00 0.00 C ATOM 0 H LEU A 40 6.283 -5.365 -6.441 1.00 0.00 H new ATOM 0 HA LEU A 40 4.464 -3.353 -7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.545 -3.142 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.458 -1.836 -6.652 1.00 0.00 H new ATOM 0 HG LEU A 40 3.903 -1.818 -6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.485 -2.446 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.934 -3.854 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.128 -3.122 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.369 -0.207 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.046 -0.795 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.463 0.019 -5.628 1.00 0.00 H new ATOM 560 N THR A 41 5.896 -3.596 -9.650 1.00 0.00 N ATOM 561 CA THR A 41 6.721 -3.547 -10.851 1.00 0.00 C ATOM 562 C THR A 41 6.655 -2.172 -11.506 1.00 0.00 C ATOM 563 O THR A 41 5.589 -1.562 -11.584 1.00 0.00 O ATOM 564 CB THR A 41 6.286 -4.612 -11.875 1.00 0.00 C ATOM 565 OG1 THR A 41 4.957 -4.339 -12.332 1.00 0.00 O ATOM 566 CG2 THR A 41 6.341 -6.004 -11.264 1.00 0.00 C ATOM 0 H THR A 41 4.894 -3.655 -9.829 1.00 0.00 H new ATOM 0 HA THR A 41 7.746 -3.750 -10.540 1.00 0.00 H new ATOM 0 HB THR A 41 6.975 -4.575 -12.719 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.499 -3.765 -11.683 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.030 -6.739 -12.006 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.360 -6.221 -10.944 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.673 -6.051 -10.404 1.00 0.00 H new ATOM 574 N GLN A 42 7.802 -1.691 -11.977 1.00 0.00 N ATOM 575 CA GLN A 42 7.873 -0.387 -12.625 1.00 0.00 C ATOM 576 C GLN A 42 6.635 -0.135 -13.480 1.00 0.00 C ATOM 577 O GLN A 42 6.104 0.975 -13.508 1.00 0.00 O ATOM 578 CB GLN A 42 9.132 -0.292 -13.490 1.00 0.00 C ATOM 579 CG GLN A 42 10.403 -0.063 -12.690 1.00 0.00 C ATOM 580 CD GLN A 42 11.647 -0.068 -13.557 1.00 0.00 C ATOM 581 OE1 GLN A 42 11.572 0.124 -14.771 1.00 0.00 O ATOM 582 NE2 GLN A 42 12.801 -0.287 -12.936 1.00 0.00 N ATOM 0 H GLN A 42 8.693 -2.184 -11.922 1.00 0.00 H new ATOM 0 HA GLN A 42 7.916 0.375 -11.847 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.236 -1.211 -14.067 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.011 0.522 -14.205 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.332 0.891 -12.168 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.493 -0.837 -11.928 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.816 -0.441 -11.928 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.672 -0.301 -13.467 1.00 0.00 H new ATOM 591 N SER A 43 6.181 -1.173 -14.175 1.00 0.00 N ATOM 592 CA SER A 43 5.007 -1.064 -15.033 1.00 0.00 C ATOM 593 C SER A 43 3.775 -0.673 -14.222 1.00 0.00 C ATOM 594 O SER A 43 3.311 0.464 -14.288 1.00 0.00 O ATOM 595 CB SER A 43 4.755 -2.386 -15.760 1.00 0.00 C ATOM 596 OG SER A 43 5.899 -2.791 -16.493 1.00 0.00 O ATOM 0 H SER A 43 6.608 -2.099 -14.161 1.00 0.00 H new ATOM 0 HA SER A 43 5.198 -0.284 -15.770 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.490 -3.158 -15.037 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.906 -2.277 -16.435 1.00 0.00 H new ATOM 0 HG SER A 43 5.713 -3.639 -16.947 1.00 0.00 H new ATOM 602 N GLU A 44 3.251 -1.627 -13.458 1.00 0.00 N ATOM 603 CA GLU A 44 2.072 -1.384 -12.635 1.00 0.00 C ATOM 604 C GLU A 44 2.119 -2.217 -11.358 1.00 0.00 C ATOM 605 O GLU A 44 2.998 -3.064 -11.187 1.00 0.00 O ATOM 606 CB GLU A 44 0.799 -1.705 -13.421 1.00 0.00 C ATOM 607 CG GLU A 44 0.582 -3.191 -13.646 1.00 0.00 C ATOM 608 CD GLU A 44 -0.272 -3.478 -14.866 1.00 0.00 C ATOM 609 OE1 GLU A 44 -1.351 -2.862 -14.993 1.00 0.00 O ATOM 610 OE2 GLU A 44 0.140 -4.317 -15.694 1.00 0.00 O ATOM 0 H GLU A 44 3.624 -2.574 -13.392 1.00 0.00 H new ATOM 0 HA GLU A 44 2.064 -0.329 -12.360 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.060 -1.298 -12.888 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.842 -1.202 -14.387 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.548 -3.682 -13.760 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.107 -3.622 -12.765 1.00 0.00 H new ATOM 617 N LEU A 45 1.168 -1.972 -10.463 1.00 0.00 N ATOM 618 CA LEU A 45 1.100 -2.700 -9.201 1.00 0.00 C ATOM 619 C LEU A 45 0.423 -4.054 -9.388 1.00 0.00 C ATOM 620 O LEU A 45 -0.732 -4.130 -9.809 1.00 0.00 O ATOM 621 CB LEU A 45 0.342 -1.878 -8.157 1.00 0.00 C ATOM 622 CG LEU A 45 0.807 -2.039 -6.709 1.00 0.00 C ATOM 623 CD1 LEU A 45 0.005 -1.134 -5.787 1.00 0.00 C ATOM 624 CD2 LEU A 45 0.688 -3.491 -6.269 1.00 0.00 C ATOM 0 H LEU A 45 0.434 -1.275 -10.588 1.00 0.00 H new ATOM 0 HA LEU A 45 2.119 -2.870 -8.852 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.419 -0.825 -8.427 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.714 -2.145 -8.210 1.00 0.00 H new ATOM 0 HG LEU A 45 1.855 -1.747 -6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.350 -1.262 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.141 -0.095 -6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.051 -1.395 -5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.023 -3.587 -5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.352 -3.810 -6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.307 -4.118 -6.911 1.00 0.00 H new ATOM 636 N VAL A 46 1.148 -5.121 -9.071 1.00 0.00 N ATOM 637 CA VAL A 46 0.617 -6.473 -9.201 1.00 0.00 C ATOM 638 C VAL A 46 0.445 -7.129 -7.836 1.00 0.00 C ATOM 639 O VAL A 46 1.279 -6.963 -6.945 1.00 0.00 O ATOM 640 CB VAL A 46 1.533 -7.355 -10.070 1.00 0.00 C ATOM 641 CG1 VAL A 46 0.944 -8.748 -10.224 1.00 0.00 C ATOM 642 CG2 VAL A 46 1.760 -6.710 -11.429 1.00 0.00 C ATOM 0 H VAL A 46 2.105 -5.076 -8.722 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.356 -6.386 -9.685 1.00 0.00 H new ATOM 0 HB VAL A 46 2.498 -7.448 -9.571 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.605 -9.356 -10.841 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.838 -9.209 -9.242 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.034 -8.679 -10.700 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.409 -7.347 -12.030 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.804 -6.585 -11.937 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.230 -5.736 -11.295 1.00 0.00 H new ATOM 652 N LEU A 47 -0.643 -7.876 -7.678 1.00 0.00 N ATOM 653 CA LEU A 47 -0.925 -8.560 -6.420 1.00 0.00 C ATOM 654 C LEU A 47 -1.157 -10.049 -6.651 1.00 0.00 C ATOM 655 O LEU A 47 -2.117 -10.444 -7.314 1.00 0.00 O ATOM 656 CB LEU A 47 -2.150 -7.940 -5.745 1.00 0.00 C ATOM 657 CG LEU A 47 -2.243 -8.120 -4.229 1.00 0.00 C ATOM 658 CD1 LEU A 47 -3.499 -7.454 -3.688 1.00 0.00 C ATOM 659 CD2 LEU A 47 -2.221 -9.597 -3.865 1.00 0.00 C ATOM 0 H LEU A 47 -1.344 -8.023 -8.405 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.059 -8.443 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.160 -6.873 -5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.045 -8.368 -6.197 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.377 -7.641 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.548 -7.593 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.473 -6.388 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.377 -7.903 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.288 -9.706 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.067 -10.100 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.292 -10.045 -4.218 1.00 0.00 H new ATOM 671 N HIS A 48 -0.273 -10.873 -6.096 1.00 0.00 N ATOM 672 CA HIS A 48 -0.383 -12.321 -6.239 1.00 0.00 C ATOM 673 C HIS A 48 -1.472 -12.875 -5.324 1.00 0.00 C ATOM 674 O HIS A 48 -1.684 -12.374 -4.219 1.00 0.00 O ATOM 675 CB HIS A 48 0.955 -12.989 -5.921 1.00 0.00 C ATOM 676 CG HIS A 48 2.045 -12.633 -6.884 1.00 0.00 C ATOM 677 ND1 HIS A 48 2.122 -13.152 -8.159 1.00 0.00 N ATOM 678 CD2 HIS A 48 3.106 -11.802 -6.753 1.00 0.00 C ATOM 679 CE1 HIS A 48 3.184 -12.658 -8.770 1.00 0.00 C ATOM 680 NE2 HIS A 48 3.798 -11.836 -7.939 1.00 0.00 N ATOM 0 H HIS A 48 0.527 -10.563 -5.544 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.653 -12.541 -7.272 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.263 -12.705 -4.915 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.821 -14.071 -5.920 1.00 0.00 H new ATOM 0 HD1 HIS A 48 1.462 -13.814 -8.567 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.361 -11.221 -5.879 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.497 -12.888 -9.778 1.00 0.00 H new ATOM 689 N LEU A 49 -2.159 -13.912 -5.792 1.00 0.00 N ATOM 690 CA LEU A 49 -3.227 -14.534 -5.017 1.00 0.00 C ATOM 691 C LEU A 49 -3.375 -16.008 -5.381 1.00 0.00 C ATOM 692 O LEU A 49 -3.542 -16.356 -6.551 1.00 0.00 O ATOM 693 CB LEU A 49 -4.549 -13.803 -5.254 1.00 0.00 C ATOM 694 CG LEU A 49 -4.564 -12.314 -4.905 1.00 0.00 C ATOM 695 CD1 LEU A 49 -5.652 -11.594 -5.687 1.00 0.00 C ATOM 696 CD2 LEU A 49 -4.762 -12.118 -3.409 1.00 0.00 C ATOM 0 H LEU A 49 -1.995 -14.339 -6.704 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.965 -14.463 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.818 -13.912 -6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.325 -14.300 -4.672 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.601 -11.886 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.648 -10.536 -5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.466 -11.705 -6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.623 -12.025 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.770 -11.052 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.711 -12.561 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.947 -12.600 -2.868 1.00 0.00 H new ATOM 789 N ALA A 54 -4.448 -12.769 -10.991 1.00 0.00 N ATOM 790 CA ALA A 54 -3.603 -11.692 -10.489 1.00 0.00 C ATOM 791 C ALA A 54 -4.134 -10.331 -10.924 1.00 0.00 C ATOM 792 O ALA A 54 -4.268 -10.058 -12.117 1.00 0.00 O ATOM 793 CB ALA A 54 -2.170 -11.880 -10.967 1.00 0.00 C ATOM 0 HA ALA A 54 -3.619 -11.727 -9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.550 -11.069 -10.585 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.787 -12.833 -10.602 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.146 -11.873 -12.057 1.00 0.00 H new ATOM 799 N VAL A 55 -4.435 -9.479 -9.949 1.00 0.00 N ATOM 800 CA VAL A 55 -4.951 -8.145 -10.232 1.00 0.00 C ATOM 801 C VAL A 55 -3.816 -7.161 -10.496 1.00 0.00 C ATOM 802 O VAL A 55 -2.769 -7.218 -9.850 1.00 0.00 O ATOM 803 CB VAL A 55 -5.812 -7.618 -9.069 1.00 0.00 C ATOM 804 CG1 VAL A 55 -6.575 -6.372 -9.491 1.00 0.00 C ATOM 805 CG2 VAL A 55 -6.766 -8.698 -8.581 1.00 0.00 C ATOM 0 H VAL A 55 -4.330 -9.689 -8.956 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.571 -8.228 -11.125 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.152 -7.348 -8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.178 -6.014 -8.656 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.869 -5.596 -9.788 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.226 -6.611 -10.332 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.367 -8.309 -7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.421 -9.001 -9.398 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.194 -9.560 -8.236 1.00 0.00 H new ATOM 815 N ARG A 56 -4.032 -6.260 -11.448 1.00 0.00 N ATOM 816 CA ARG A 56 -3.026 -5.263 -11.798 1.00 0.00 C ATOM 817 C ARG A 56 -3.606 -3.854 -11.715 1.00 0.00 C ATOM 818 O ARG A 56 -4.554 -3.520 -12.425 1.00 0.00 O ATOM 819 CB ARG A 56 -2.489 -5.523 -13.206 1.00 0.00 C ATOM 820 CG ARG A 56 -1.450 -6.631 -13.267 1.00 0.00 C ATOM 821 CD ARG A 56 -1.467 -7.338 -14.613 1.00 0.00 C ATOM 822 NE ARG A 56 -0.161 -7.895 -14.955 1.00 0.00 N ATOM 823 CZ ARG A 56 0.094 -8.522 -16.098 1.00 0.00 C ATOM 824 NH1 ARG A 56 -0.863 -8.670 -17.005 1.00 0.00 N ATOM 825 NH2 ARG A 56 1.308 -9.002 -16.337 1.00 0.00 N ATOM 0 H ARG A 56 -4.893 -6.199 -11.991 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.207 -5.343 -11.084 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.321 -5.780 -13.861 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.050 -4.604 -13.594 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.460 -6.213 -13.087 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.640 -7.353 -12.473 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.208 -8.137 -14.593 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.776 -6.636 -15.387 1.00 0.00 H new ATOM 0 HE ARG A 56 0.597 -7.797 -14.279 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.797 -8.302 -16.825 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.665 -9.152 -17.882 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.047 -8.890 -15.643 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.502 -9.483 -17.215 1.00 0.00 H new ATOM 839 N TRP A 57 -3.030 -3.034 -10.844 1.00 0.00 N ATOM 840 CA TRP A 57 -3.489 -1.661 -10.668 1.00 0.00 C ATOM 841 C TRP A 57 -2.471 -0.670 -11.221 1.00 0.00 C ATOM 842 O TRP A 57 -1.362 -0.530 -10.704 1.00 0.00 O ATOM 843 CB TRP A 57 -3.747 -1.373 -9.188 1.00 0.00 C ATOM 844 CG TRP A 57 -4.906 -2.140 -8.627 1.00 0.00 C ATOM 845 CD1 TRP A 57 -6.217 -2.030 -8.994 1.00 0.00 C ATOM 846 CD2 TRP A 57 -4.859 -3.133 -7.596 1.00 0.00 C ATOM 847 NE1 TRP A 57 -6.987 -2.894 -8.254 1.00 0.00 N ATOM 848 CE2 TRP A 57 -6.177 -3.583 -7.390 1.00 0.00 C ATOM 849 CE3 TRP A 57 -3.830 -3.687 -6.829 1.00 0.00 C ATOM 850 CZ2 TRP A 57 -6.492 -4.559 -6.449 1.00 0.00 C ATOM 851 CZ3 TRP A 57 -4.144 -4.655 -5.895 1.00 0.00 C ATOM 852 CH2 TRP A 57 -5.466 -5.084 -5.711 1.00 0.00 C ATOM 0 H TRP A 57 -2.244 -3.296 -10.249 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.420 -1.543 -11.222 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.850 -1.614 -8.617 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.930 -0.306 -9.059 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.593 -1.362 -9.754 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.998 -3.005 -8.335 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -2.808 -3.364 -6.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.510 -4.890 -6.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.357 -5.089 -5.296 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.679 -5.843 -4.973 1.00 0.00 H new ATOM 863 N PRO A 58 -2.852 0.033 -12.297 1.00 0.00 N ATOM 864 CA PRO A 58 -1.985 1.024 -12.943 1.00 0.00 C ATOM 865 C PRO A 58 -1.781 2.265 -12.082 1.00 0.00 C ATOM 866 O PRO A 58 -2.741 2.953 -11.730 1.00 0.00 O ATOM 867 CB PRO A 58 -2.746 1.380 -14.223 1.00 0.00 C ATOM 868 CG PRO A 58 -4.173 1.088 -13.909 1.00 0.00 C ATOM 869 CD PRO A 58 -4.158 -0.083 -12.966 1.00 0.00 C ATOM 0 HA PRO A 58 -0.983 0.634 -13.121 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.605 2.428 -14.489 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.397 0.787 -15.069 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.657 1.951 -13.452 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.732 0.853 -14.815 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.980 -0.035 -12.252 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.254 -1.029 -13.499 1.00 0.00 H new ATOM 877 N TYR A 59 -0.528 2.547 -11.745 1.00 0.00 N ATOM 878 CA TYR A 59 -0.199 3.705 -10.923 1.00 0.00 C ATOM 879 C TYR A 59 -0.804 4.978 -11.508 1.00 0.00 C ATOM 880 O TYR A 59 -1.433 5.764 -10.798 1.00 0.00 O ATOM 881 CB TYR A 59 1.318 3.857 -10.803 1.00 0.00 C ATOM 882 CG TYR A 59 2.019 2.596 -10.350 1.00 0.00 C ATOM 883 CD1 TYR A 59 1.650 1.957 -9.173 1.00 0.00 C ATOM 884 CD2 TYR A 59 3.051 2.045 -11.099 1.00 0.00 C ATOM 885 CE1 TYR A 59 2.288 0.805 -8.755 1.00 0.00 C ATOM 886 CE2 TYR A 59 3.694 0.892 -10.690 1.00 0.00 C ATOM 887 CZ TYR A 59 3.309 0.276 -9.517 1.00 0.00 C ATOM 888 OH TYR A 59 3.947 -0.871 -9.105 1.00 0.00 O ATOM 0 H TYR A 59 0.277 1.989 -12.029 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.621 3.546 -9.931 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.722 4.160 -11.769 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.540 4.659 -10.099 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.851 2.368 -8.574 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.356 2.526 -12.017 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.989 0.321 -7.837 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.493 0.476 -11.285 1.00 0.00 H new ATOM 0 HH TYR A 59 4.532 -1.196 -9.822 1.00 0.00 H new ATOM 898 N LEU A 60 -0.610 5.174 -12.807 1.00 0.00 N ATOM 899 CA LEU A 60 -1.137 6.351 -13.490 1.00 0.00 C ATOM 900 C LEU A 60 -2.578 6.623 -13.073 1.00 0.00 C ATOM 901 O LEU A 60 -3.015 7.774 -13.027 1.00 0.00 O ATOM 902 CB LEU A 60 -1.059 6.162 -15.006 1.00 0.00 C ATOM 903 CG LEU A 60 -1.439 4.777 -15.530 1.00 0.00 C ATOM 904 CD1 LEU A 60 -2.042 4.880 -16.923 1.00 0.00 C ATOM 905 CD2 LEU A 60 -0.226 3.858 -15.538 1.00 0.00 C ATOM 0 H LEU A 60 -0.092 4.534 -13.409 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.528 7.209 -13.205 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.710 6.898 -15.478 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.041 6.384 -15.328 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.188 4.350 -14.863 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.306 3.884 -17.280 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.936 5.502 -16.887 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.316 5.328 -17.602 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.515 2.877 -15.914 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.546 4.280 -16.182 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.162 3.758 -14.524 1.00 0.00 H new ATOM 917 N CYS A 61 -3.312 5.558 -12.768 1.00 0.00 N ATOM 918 CA CYS A 61 -4.704 5.682 -12.353 1.00 0.00 C ATOM 919 C CYS A 61 -4.802 5.980 -10.861 1.00 0.00 C ATOM 920 O CYS A 61 -5.733 6.649 -10.410 1.00 0.00 O ATOM 921 CB CYS A 61 -5.472 4.400 -12.681 1.00 0.00 C ATOM 922 SG CYS A 61 -5.676 4.095 -14.452 1.00 0.00 S ATOM 0 H CYS A 61 -2.966 4.599 -12.801 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.148 6.513 -12.901 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.951 3.553 -12.235 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.457 4.450 -12.216 1.00 0.00 H new ATOM 0 HG CYS A 61 -6.335 2.988 -14.629 1.00 0.00 H new ATOM 928 N LEU A 62 -3.838 5.477 -10.098 1.00 0.00 N ATOM 929 CA LEU A 62 -3.816 5.688 -8.654 1.00 0.00 C ATOM 930 C LEU A 62 -3.845 7.176 -8.321 1.00 0.00 C ATOM 931 O LEU A 62 -2.829 7.864 -8.420 1.00 0.00 O ATOM 932 CB LEU A 62 -2.571 5.041 -8.044 1.00 0.00 C ATOM 933 CG LEU A 62 -2.610 3.519 -7.895 1.00 0.00 C ATOM 934 CD1 LEU A 62 -1.315 3.010 -7.281 1.00 0.00 C ATOM 935 CD2 LEU A 62 -3.804 3.096 -7.052 1.00 0.00 C ATOM 0 H LEU A 62 -3.061 4.920 -10.455 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.705 5.222 -8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.711 5.304 -8.660 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.404 5.478 -7.060 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.716 3.079 -8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.361 1.925 -7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.477 3.281 -7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.178 3.458 -6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.816 2.010 -6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.728 3.546 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.724 3.428 -7.532 1.00 0.00 H new ATOM 947 N ARG A 63 -5.015 7.665 -7.923 1.00 0.00 N ATOM 948 CA ARG A 63 -5.176 9.071 -7.573 1.00 0.00 C ATOM 949 C ARG A 63 -4.296 9.439 -6.382 1.00 0.00 C ATOM 950 O ARG A 63 -3.641 10.482 -6.380 1.00 0.00 O ATOM 951 CB ARG A 63 -6.641 9.374 -7.252 1.00 0.00 C ATOM 952 CG ARG A 63 -6.876 10.795 -6.768 1.00 0.00 C ATOM 953 CD ARG A 63 -8.342 11.185 -6.877 1.00 0.00 C ATOM 954 NE ARG A 63 -9.157 10.546 -5.847 1.00 0.00 N ATOM 955 CZ ARG A 63 -10.421 10.873 -5.603 1.00 0.00 C ATOM 956 NH1 ARG A 63 -11.012 11.825 -6.311 1.00 0.00 N ATOM 957 NH2 ARG A 63 -11.097 10.246 -4.648 1.00 0.00 N ATOM 0 H ARG A 63 -5.865 7.108 -7.835 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.867 9.671 -8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.243 9.198 -8.143 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.989 8.677 -6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.550 10.886 -5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.270 11.485 -7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.436 12.268 -6.794 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.719 10.907 -7.861 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.732 9.809 -5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.496 12.309 -7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.983 12.074 -6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.646 9.513 -4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.068 10.498 -4.461 1.00 0.00 H new ATOM 971 N ARG A 64 -4.287 8.577 -5.371 1.00 0.00 N ATOM 972 CA ARG A 64 -3.490 8.812 -4.173 1.00 0.00 C ATOM 973 C ARG A 64 -3.142 7.496 -3.484 1.00 0.00 C ATOM 974 O ARG A 64 -3.558 6.424 -3.924 1.00 0.00 O ATOM 975 CB ARG A 64 -4.244 9.724 -3.204 1.00 0.00 C ATOM 976 CG ARG A 64 -5.497 9.091 -2.621 1.00 0.00 C ATOM 977 CD ARG A 64 -6.547 10.138 -2.287 1.00 0.00 C ATOM 978 NE ARG A 64 -7.477 9.674 -1.261 1.00 0.00 N ATOM 979 CZ ARG A 64 -8.526 10.376 -0.848 1.00 0.00 C ATOM 980 NH1 ARG A 64 -8.778 11.568 -1.370 1.00 0.00 N ATOM 981 NH2 ARG A 64 -9.326 9.885 0.090 1.00 0.00 N ATOM 0 H ARG A 64 -4.823 7.709 -5.357 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.563 9.300 -4.474 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.577 10.005 -2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.519 10.643 -3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.909 8.375 -3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.239 8.533 -1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.055 11.048 -1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.102 10.395 -3.189 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.312 8.761 -0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.165 11.949 -2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.585 12.104 -1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.135 8.968 0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.132 10.425 0.407 1.00 0.00 H new ATOM 995 N TYR A 65 -2.376 7.585 -2.402 1.00 0.00 N ATOM 996 CA TYR A 65 -1.970 6.402 -1.654 1.00 0.00 C ATOM 997 C TYR A 65 -1.311 6.791 -0.334 1.00 0.00 C ATOM 998 O TYR A 65 -0.529 7.739 -0.274 1.00 0.00 O ATOM 999 CB TYR A 65 -1.008 5.552 -2.486 1.00 0.00 C ATOM 1000 CG TYR A 65 0.177 6.325 -3.018 1.00 0.00 C ATOM 1001 CD1 TYR A 65 1.340 6.454 -2.269 1.00 0.00 C ATOM 1002 CD2 TYR A 65 0.135 6.925 -4.270 1.00 0.00 C ATOM 1003 CE1 TYR A 65 2.426 7.160 -2.751 1.00 0.00 C ATOM 1004 CE2 TYR A 65 1.216 7.632 -4.761 1.00 0.00 C ATOM 1005 CZ TYR A 65 2.359 7.747 -3.997 1.00 0.00 C ATOM 1006 OH TYR A 65 3.438 8.449 -4.482 1.00 0.00 O ATOM 0 H TYR A 65 -2.024 8.464 -2.024 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.864 5.818 -1.435 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.647 4.724 -1.876 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.553 5.116 -3.324 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.396 5.995 -1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.758 6.837 -4.870 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.322 7.251 -2.155 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.166 8.092 -5.737 1.00 0.00 H new ATOM 0 HH TYR A 65 3.586 8.214 -5.422 1.00 0.00 H new ATOM 1016 N GLY A 66 -1.633 6.051 0.722 1.00 0.00 N ATOM 1017 CA GLY A 66 -1.064 6.333 2.027 1.00 0.00 C ATOM 1018 C GLY A 66 -0.584 5.080 2.733 1.00 0.00 C ATOM 1019 O GLY A 66 -0.735 3.972 2.218 1.00 0.00 O ATOM 0 H GLY A 66 -2.278 5.261 0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.230 7.025 1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.810 6.832 2.645 1.00 0.00 H new ATOM 1023 N TYR A 67 -0.003 5.255 3.915 1.00 0.00 N ATOM 1024 CA TYR A 67 0.505 4.130 4.690 1.00 0.00 C ATOM 1025 C TYR A 67 0.671 4.511 6.158 1.00 0.00 C ATOM 1026 O TYR A 67 1.452 5.400 6.496 1.00 0.00 O ATOM 1027 CB TYR A 67 1.843 3.653 4.122 1.00 0.00 C ATOM 1028 CG TYR A 67 3.027 4.460 4.604 1.00 0.00 C ATOM 1029 CD1 TYR A 67 3.212 5.774 4.193 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.963 3.907 5.470 1.00 0.00 C ATOM 1031 CE1 TYR A 67 4.293 6.514 4.630 1.00 0.00 C ATOM 1032 CE2 TYR A 67 5.046 4.640 5.914 1.00 0.00 C ATOM 1033 CZ TYR A 67 5.207 5.943 5.491 1.00 0.00 C ATOM 1034 OH TYR A 67 6.286 6.676 5.930 1.00 0.00 O ATOM 0 H TYR A 67 0.128 6.165 4.357 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.220 3.319 4.622 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.992 2.608 4.393 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.803 3.697 3.034 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.498 6.225 3.520 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.841 2.886 5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.422 7.534 4.299 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.763 4.196 6.589 1.00 0.00 H new ATOM 0 HH TYR A 67 6.832 6.127 6.531 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.070 3.830 7.026 1.00 0.00 N ATOM 1045 CA ASP A 68 -0.005 4.095 8.459 1.00 0.00 C ATOM 1046 C ASP A 68 0.721 2.968 9.187 1.00 0.00 C ATOM 1047 O ASP A 68 1.169 2.003 8.568 1.00 0.00 O ATOM 1048 CB ASP A 68 -1.413 4.266 9.032 1.00 0.00 C ATOM 1049 CG ASP A 68 -1.899 5.700 8.957 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -1.254 6.508 8.257 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -2.923 6.014 9.599 1.00 0.00 O ATOM 0 H ASP A 68 -0.722 3.091 6.763 1.00 0.00 H new ATOM 0 HA ASP A 68 0.554 5.019 8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.104 3.622 8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.422 3.936 10.071 1.00 0.00 H new ATOM 1056 N SER A 69 0.833 3.098 10.505 1.00 0.00 N ATOM 1057 CA SER A 69 1.509 2.093 11.318 1.00 0.00 C ATOM 1058 C SER A 69 1.178 0.687 10.829 1.00 0.00 C ATOM 1059 O SER A 69 0.013 0.296 10.772 1.00 0.00 O ATOM 1060 CB SER A 69 1.109 2.242 12.787 1.00 0.00 C ATOM 1061 OG SER A 69 -0.300 2.246 12.934 1.00 0.00 O ATOM 0 H SER A 69 0.464 3.889 11.033 1.00 0.00 H new ATOM 0 HA SER A 69 2.584 2.248 11.224 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.536 1.425 13.368 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.522 3.168 13.188 1.00 0.00 H new ATOM 0 HG SER A 69 -0.701 1.659 12.259 1.00 0.00 H new ATOM 1067 N ASN A 70 2.212 -0.069 10.475 1.00 0.00 N ATOM 1068 CA ASN A 70 2.033 -1.432 9.990 1.00 0.00 C ATOM 1069 C ASN A 70 0.763 -1.548 9.152 1.00 0.00 C ATOM 1070 O ASN A 70 0.022 -2.527 9.259 1.00 0.00 O ATOM 1071 CB ASN A 70 1.973 -2.410 11.165 1.00 0.00 C ATOM 1072 CG ASN A 70 0.785 -2.153 12.072 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -0.347 -2.015 11.607 1.00 0.00 O ATOM 1074 ND2 ASN A 70 1.038 -2.086 13.373 1.00 0.00 N ATOM 0 H ASN A 70 3.183 0.240 10.515 1.00 0.00 H new ATOM 0 HA ASN A 70 2.887 -1.683 9.361 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.921 -3.430 10.783 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.893 -2.333 11.745 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.279 -1.914 14.032 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.992 -2.206 13.714 1.00 0.00 H new ATOM 1081 N LEU A 71 0.519 -0.545 8.317 1.00 0.00 N ATOM 1082 CA LEU A 71 -0.661 -0.533 7.458 1.00 0.00 C ATOM 1083 C LEU A 71 -0.360 0.150 6.128 1.00 0.00 C ATOM 1084 O LEU A 71 0.403 1.115 6.072 1.00 0.00 O ATOM 1085 CB LEU A 71 -1.819 0.178 8.160 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.196 0.017 7.513 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -3.806 -1.326 7.885 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -4.116 1.156 7.927 1.00 0.00 C ATOM 0 H LEU A 71 1.122 0.271 8.216 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.945 -1.566 7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.876 -0.188 9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.587 1.242 8.214 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.074 0.050 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.785 -1.423 7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.156 -2.129 7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.914 -1.389 8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.091 1.025 7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.232 1.154 9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.685 2.106 7.610 1.00 0.00 H new ATOM 1100 N PHE A 72 -0.966 -0.355 5.059 1.00 0.00 N ATOM 1101 CA PHE A 72 -0.765 0.207 3.729 1.00 0.00 C ATOM 1102 C PHE A 72 -2.070 0.218 2.939 1.00 0.00 C ATOM 1103 O PHE A 72 -2.654 -0.831 2.669 1.00 0.00 O ATOM 1104 CB PHE A 72 0.297 -0.592 2.970 1.00 0.00 C ATOM 1105 CG PHE A 72 0.317 -0.311 1.494 1.00 0.00 C ATOM 1106 CD1 PHE A 72 0.921 0.835 1.002 1.00 0.00 C ATOM 1107 CD2 PHE A 72 -0.266 -1.193 0.599 1.00 0.00 C ATOM 1108 CE1 PHE A 72 0.940 1.096 -0.355 1.00 0.00 C ATOM 1109 CE2 PHE A 72 -0.250 -0.938 -0.759 1.00 0.00 C ATOM 1110 CZ PHE A 72 0.355 0.208 -1.236 1.00 0.00 C ATOM 0 H PHE A 72 -1.601 -1.153 5.088 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.423 1.235 3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.278 -0.366 3.388 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.121 -1.656 3.127 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.382 1.532 1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.739 -2.091 0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.412 1.994 -0.726 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.710 -1.633 -1.446 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.371 0.410 -2.297 1.00 0.00 H new ATOM 1120 N SER A 73 -2.523 1.413 2.573 1.00 0.00 N ATOM 1121 CA SER A 73 -3.762 1.562 1.818 1.00 0.00 C ATOM 1122 C SER A 73 -3.546 2.437 0.587 1.00 0.00 C ATOM 1123 O SER A 73 -2.587 3.206 0.518 1.00 0.00 O ATOM 1124 CB SER A 73 -4.853 2.168 2.703 1.00 0.00 C ATOM 1125 OG SER A 73 -6.101 2.189 2.032 1.00 0.00 O ATOM 0 H SER A 73 -2.051 2.292 2.787 1.00 0.00 H new ATOM 0 HA SER A 73 -4.079 0.573 1.488 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.941 1.591 3.623 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.573 3.182 2.988 1.00 0.00 H new ATOM 0 HG SER A 73 -6.249 3.077 1.644 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.446 2.314 -0.383 1.00 0.00 N ATOM 1132 CA PHE A 74 -4.354 3.092 -1.613 1.00 0.00 C ATOM 1133 C PHE A 74 -5.700 3.135 -2.331 1.00 0.00 C ATOM 1134 O PHE A 74 -6.539 2.253 -2.152 1.00 0.00 O ATOM 1135 CB PHE A 74 -3.289 2.500 -2.539 1.00 0.00 C ATOM 1136 CG PHE A 74 -3.644 1.139 -3.068 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -4.596 0.996 -4.065 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -3.026 0.004 -2.568 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -4.925 -0.254 -4.553 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -3.351 -1.249 -3.053 1.00 0.00 C ATOM 1141 CZ PHE A 74 -4.301 -1.378 -4.047 1.00 0.00 C ATOM 0 H PHE A 74 -5.247 1.684 -0.341 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.070 4.110 -1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.131 3.177 -3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.344 2.436 -1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.086 1.871 -4.465 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.282 0.099 -1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.669 -0.352 -5.329 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.863 -2.126 -2.655 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.556 -2.356 -4.428 1.00 0.00 H new ATOM 1151 N GLU A 75 -5.898 4.169 -3.143 1.00 0.00 N ATOM 1152 CA GLU A 75 -7.143 4.328 -3.886 1.00 0.00 C ATOM 1153 C GLU A 75 -6.940 4.004 -5.363 1.00 0.00 C ATOM 1154 O GLU A 75 -5.954 4.420 -5.971 1.00 0.00 O ATOM 1155 CB GLU A 75 -7.674 5.755 -3.734 1.00 0.00 C ATOM 1156 CG GLU A 75 -9.183 5.861 -3.880 1.00 0.00 C ATOM 1157 CD GLU A 75 -9.695 7.268 -3.641 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -9.006 8.227 -4.048 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -10.783 7.411 -3.046 1.00 0.00 O ATOM 0 H GLU A 75 -5.213 4.908 -3.303 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.873 3.630 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.384 6.139 -2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.199 6.392 -4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.471 5.539 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.661 5.180 -3.176 1.00 0.00 H new ATOM 1166 N SER A 76 -7.879 3.256 -5.933 1.00 0.00 N ATOM 1167 CA SER A 76 -7.802 2.871 -7.338 1.00 0.00 C ATOM 1168 C SER A 76 -8.865 3.595 -8.159 1.00 0.00 C ATOM 1169 O SER A 76 -9.939 3.922 -7.655 1.00 0.00 O ATOM 1170 CB SER A 76 -7.972 1.358 -7.484 1.00 0.00 C ATOM 1171 OG SER A 76 -6.798 0.672 -7.083 1.00 0.00 O ATOM 0 H SER A 76 -8.702 2.904 -5.444 1.00 0.00 H new ATOM 0 HA SER A 76 -6.820 3.157 -7.714 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.816 1.024 -6.881 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.204 1.113 -8.521 1.00 0.00 H new ATOM 0 HG SER A 76 -6.653 -0.099 -7.670 1.00 0.00 H new ATOM 1177 N GLY A 77 -8.557 3.842 -9.428 1.00 0.00 N ATOM 1178 CA GLY A 77 -9.495 4.526 -10.300 1.00 0.00 C ATOM 1179 C GLY A 77 -10.842 3.834 -10.357 1.00 0.00 C ATOM 1180 O GLY A 77 -11.146 2.982 -9.522 1.00 0.00 O ATOM 0 H GLY A 77 -7.675 3.581 -9.868 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.630 5.550 -9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.077 4.584 -11.305 1.00 0.00 H new ATOM 1184 N ARG A 78 -11.652 4.202 -11.345 1.00 0.00 N ATOM 1185 CA ARG A 78 -12.976 3.613 -11.506 1.00 0.00 C ATOM 1186 C ARG A 78 -12.992 2.619 -12.663 1.00 0.00 C ATOM 1187 O ARG A 78 -13.683 1.602 -12.612 1.00 0.00 O ATOM 1188 CB ARG A 78 -14.019 4.707 -11.745 1.00 0.00 C ATOM 1189 CG ARG A 78 -13.948 5.845 -10.740 1.00 0.00 C ATOM 1190 CD ARG A 78 -15.021 6.890 -11.006 1.00 0.00 C ATOM 1191 NE ARG A 78 -14.567 7.915 -11.943 1.00 0.00 N ATOM 1192 CZ ARG A 78 -15.247 9.025 -12.203 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -16.406 9.254 -11.601 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -14.769 9.911 -13.068 1.00 0.00 N ATOM 0 H ARG A 78 -11.415 4.905 -12.045 1.00 0.00 H new ATOM 0 HA ARG A 78 -13.223 3.080 -10.588 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.886 5.111 -12.749 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -15.014 4.263 -11.709 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -14.066 5.449 -9.731 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.964 6.312 -10.786 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -15.911 6.403 -11.405 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -15.310 7.360 -10.066 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.679 7.770 -12.424 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.778 8.576 -10.936 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.926 10.108 -11.803 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.878 9.739 -13.534 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.293 10.763 -13.267 1.00 0.00 H new ATOM 1208 N ARG A 79 -12.226 2.921 -13.707 1.00 0.00 N ATOM 1209 CA ARG A 79 -12.153 2.056 -14.877 1.00 0.00 C ATOM 1210 C ARG A 79 -11.123 0.949 -14.671 1.00 0.00 C ATOM 1211 O ARG A 79 -10.363 0.617 -15.582 1.00 0.00 O ATOM 1212 CB ARG A 79 -11.797 2.873 -16.121 1.00 0.00 C ATOM 1213 CG ARG A 79 -10.379 3.420 -16.105 1.00 0.00 C ATOM 1214 CD ARG A 79 -10.185 4.497 -17.161 1.00 0.00 C ATOM 1215 NE ARG A 79 -10.721 4.094 -18.458 1.00 0.00 N ATOM 1216 CZ ARG A 79 -10.466 4.739 -19.591 1.00 0.00 C ATOM 1217 NH1 ARG A 79 -9.687 5.811 -19.586 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -10.991 4.311 -20.732 1.00 0.00 N ATOM 0 H ARG A 79 -11.647 3.759 -13.765 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.131 1.597 -15.020 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.927 2.248 -17.005 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.497 3.704 -16.212 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.157 3.831 -15.120 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.673 2.608 -16.278 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.674 5.415 -16.836 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.123 4.720 -17.261 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.324 3.272 -18.496 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.282 6.143 -18.711 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.493 6.304 -20.457 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.591 3.486 -20.740 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.795 4.807 -21.601 1.00 0.00 H new ATOM 1232 N CYS A 80 -11.105 0.381 -13.471 1.00 0.00 N ATOM 1233 CA CYS A 80 -10.167 -0.688 -13.144 1.00 0.00 C ATOM 1234 C CYS A 80 -10.898 -2.014 -12.961 1.00 0.00 C ATOM 1235 O CYS A 80 -12.109 -2.041 -12.741 1.00 0.00 O ATOM 1236 CB CYS A 80 -9.388 -0.342 -11.875 1.00 0.00 C ATOM 1237 SG CYS A 80 -10.416 0.280 -10.524 1.00 0.00 S ATOM 0 H CYS A 80 -11.729 0.642 -12.708 1.00 0.00 H new ATOM 0 HA CYS A 80 -9.467 -0.790 -13.973 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.857 -1.231 -11.534 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -8.634 0.406 -12.117 1.00 0.00 H new ATOM 0 HG CYS A 80 -10.107 1.519 -10.279 1.00 0.00 H new ATOM 1243 N GLN A 81 -10.154 -3.112 -13.055 1.00 0.00 N ATOM 1244 CA GLN A 81 -10.732 -4.441 -12.902 1.00 0.00 C ATOM 1245 C GLN A 81 -11.606 -4.515 -11.654 1.00 0.00 C ATOM 1246 O GLN A 81 -12.832 -4.580 -11.744 1.00 0.00 O ATOM 1247 CB GLN A 81 -9.627 -5.496 -12.829 1.00 0.00 C ATOM 1248 CG GLN A 81 -10.143 -6.900 -12.560 1.00 0.00 C ATOM 1249 CD GLN A 81 -9.187 -7.975 -13.038 1.00 0.00 C ATOM 1250 OE1 GLN A 81 -8.954 -8.126 -14.238 1.00 0.00 O ATOM 1251 NE2 GLN A 81 -8.626 -8.729 -12.100 1.00 0.00 N ATOM 0 H GLN A 81 -9.150 -3.107 -13.236 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.357 -4.640 -13.773 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.073 -5.495 -13.768 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.924 -5.220 -12.043 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.314 -7.021 -11.490 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.106 -7.030 -13.054 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.847 -8.569 -11.117 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.974 -9.468 -12.362 1.00 0.00 H new ATOM 1260 N THR A 82 -10.966 -4.504 -10.489 1.00 0.00 N ATOM 1261 CA THR A 82 -11.684 -4.571 -9.222 1.00 0.00 C ATOM 1262 C THR A 82 -12.845 -3.583 -9.195 1.00 0.00 C ATOM 1263 O THR A 82 -13.969 -3.941 -8.846 1.00 0.00 O ATOM 1264 CB THR A 82 -10.750 -4.281 -8.031 1.00 0.00 C ATOM 1265 OG1 THR A 82 -10.254 -2.941 -8.113 1.00 0.00 O ATOM 1266 CG2 THR A 82 -9.585 -5.259 -8.007 1.00 0.00 C ATOM 0 H THR A 82 -9.952 -4.449 -10.397 1.00 0.00 H new ATOM 0 HA THR A 82 -12.072 -5.586 -9.132 1.00 0.00 H new ATOM 0 HB THR A 82 -11.322 -4.400 -7.111 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.066 -2.606 -7.211 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.939 -5.035 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.966 -6.276 -7.915 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.014 -5.168 -8.931 1.00 0.00 H new ATOM 1274 N GLY A 83 -12.565 -2.338 -9.567 1.00 0.00 N ATOM 1275 CA GLY A 83 -13.597 -1.318 -9.579 1.00 0.00 C ATOM 1276 C GLY A 83 -13.385 -0.266 -8.508 1.00 0.00 C ATOM 1277 O GLY A 83 -12.820 -0.551 -7.453 1.00 0.00 O ATOM 0 H GLY A 83 -11.642 -2.018 -9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.617 -0.837 -10.557 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.570 -1.788 -9.435 1.00 0.00 H new ATOM 1281 N GLN A 84 -13.837 0.954 -8.781 1.00 0.00 N ATOM 1282 CA GLN A 84 -13.691 2.052 -7.833 1.00 0.00 C ATOM 1283 C GLN A 84 -13.837 1.555 -6.398 1.00 0.00 C ATOM 1284 O GLN A 84 -14.749 0.793 -6.084 1.00 0.00 O ATOM 1285 CB GLN A 84 -14.729 3.140 -8.116 1.00 0.00 C ATOM 1286 CG GLN A 84 -14.741 4.253 -7.082 1.00 0.00 C ATOM 1287 CD GLN A 84 -13.777 5.374 -7.419 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -14.191 6.489 -7.738 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -12.483 5.083 -7.350 1.00 0.00 N ATOM 0 H GLN A 84 -14.307 1.207 -9.650 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.692 2.472 -7.953 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.534 3.570 -9.098 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.718 2.684 -8.159 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.750 4.658 -7.002 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.485 3.840 -6.106 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.185 4.145 -7.081 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.787 5.797 -7.566 1.00 0.00 H new ATOM 1298 N GLY A 85 -12.929 1.994 -5.531 1.00 0.00 N ATOM 1299 CA GLY A 85 -12.974 1.583 -4.139 1.00 0.00 C ATOM 1300 C GLY A 85 -11.627 1.704 -3.455 1.00 0.00 C ATOM 1301 O GLY A 85 -10.598 1.846 -4.117 1.00 0.00 O ATOM 0 H GLY A 85 -12.164 2.626 -5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.704 2.193 -3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.317 0.550 -4.079 1.00 0.00 H new ATOM 1305 N ILE A 86 -11.632 1.648 -2.128 1.00 0.00 N ATOM 1306 CA ILE A 86 -10.401 1.753 -1.355 1.00 0.00 C ATOM 1307 C ILE A 86 -10.008 0.405 -0.762 1.00 0.00 C ATOM 1308 O ILE A 86 -10.790 -0.224 -0.049 1.00 0.00 O ATOM 1309 CB ILE A 86 -10.537 2.782 -0.217 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -10.537 4.204 -0.782 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -9.412 2.607 0.792 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -11.183 5.219 0.134 1.00 0.00 C ATOM 0 H ILE A 86 -12.475 1.531 -1.566 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.624 2.085 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.486 2.614 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.509 4.508 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.059 4.206 -1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.522 3.341 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.455 1.603 1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.452 2.751 0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.147 6.204 -0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.221 4.940 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.647 5.246 1.083 1.00 0.00 H new ATOM 1324 N PHE A 87 -8.789 -0.034 -1.059 1.00 0.00 N ATOM 1325 CA PHE A 87 -8.291 -1.308 -0.555 1.00 0.00 C ATOM 1326 C PHE A 87 -7.111 -1.095 0.390 1.00 0.00 C ATOM 1327 O PHE A 87 -6.102 -0.498 0.016 1.00 0.00 O ATOM 1328 CB PHE A 87 -7.871 -2.211 -1.716 1.00 0.00 C ATOM 1329 CG PHE A 87 -8.786 -2.124 -2.904 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -10.120 -2.482 -2.796 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -8.312 -1.684 -4.130 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -10.964 -2.403 -3.887 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -9.152 -1.603 -5.225 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.479 -1.962 -5.103 1.00 0.00 C ATOM 0 H PHE A 87 -8.128 0.474 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.096 -1.791 -0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.860 -1.945 -2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.837 -3.244 -1.369 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.505 -2.827 -1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.275 -1.401 -4.231 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -12.002 -2.686 -3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.770 -1.259 -6.175 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.137 -1.898 -5.957 1.00 0.00 H new ATOM 1344 N ALA A 88 -7.248 -1.587 1.617 1.00 0.00 N ATOM 1345 CA ALA A 88 -6.194 -1.453 2.615 1.00 0.00 C ATOM 1346 C ALA A 88 -5.736 -2.818 3.117 1.00 0.00 C ATOM 1347 O ALA A 88 -6.517 -3.769 3.159 1.00 0.00 O ATOM 1348 CB ALA A 88 -6.674 -0.595 3.777 1.00 0.00 C ATOM 0 H ALA A 88 -8.078 -2.082 1.944 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.341 -0.964 2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.877 -0.503 4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.945 0.395 3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.544 -1.062 4.239 1.00 0.00 H new ATOM 1354 N PHE A 89 -4.466 -2.908 3.497 1.00 0.00 N ATOM 1355 CA PHE A 89 -3.904 -4.158 3.995 1.00 0.00 C ATOM 1356 C PHE A 89 -3.064 -3.916 5.246 1.00 0.00 C ATOM 1357 O PHE A 89 -2.573 -2.810 5.475 1.00 0.00 O ATOM 1358 CB PHE A 89 -3.049 -4.823 2.914 1.00 0.00 C ATOM 1359 CG PHE A 89 -3.652 -4.745 1.541 1.00 0.00 C ATOM 1360 CD1 PHE A 89 -3.766 -3.528 0.888 1.00 0.00 C ATOM 1361 CD2 PHE A 89 -4.105 -5.888 0.902 1.00 0.00 C ATOM 1362 CE1 PHE A 89 -4.320 -3.452 -0.376 1.00 0.00 C ATOM 1363 CE2 PHE A 89 -4.659 -5.818 -0.362 1.00 0.00 C ATOM 1364 CZ PHE A 89 -4.768 -4.599 -1.001 1.00 0.00 C ATOM 0 H PHE A 89 -3.807 -2.130 3.470 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.729 -4.821 4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.066 -4.351 2.898 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.896 -5.870 3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.418 -2.628 1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.024 -6.844 1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.402 -2.497 -0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.007 -6.717 -0.850 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.203 -4.543 -1.988 1.00 0.00 H new ATOM 1374 N LYS A 90 -2.903 -4.959 6.054 1.00 0.00 N ATOM 1375 CA LYS A 90 -2.122 -4.863 7.281 1.00 0.00 C ATOM 1376 C LYS A 90 -0.761 -5.531 7.115 1.00 0.00 C ATOM 1377 O LYS A 90 -0.652 -6.757 7.160 1.00 0.00 O ATOM 1378 CB LYS A 90 -2.881 -5.508 8.444 1.00 0.00 C ATOM 1379 CG LYS A 90 -2.364 -5.095 9.811 1.00 0.00 C ATOM 1380 CD LYS A 90 -3.089 -5.829 10.926 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.093 -5.021 12.215 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.211 -5.418 13.115 1.00 0.00 N ATOM 0 H LYS A 90 -3.304 -5.881 5.881 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.963 -3.807 7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.936 -5.244 8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.816 -6.592 8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.295 -5.300 9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.491 -4.020 9.939 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.115 -6.034 10.621 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.610 -6.792 11.101 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.144 -5.158 12.733 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.176 -3.960 11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.179 -4.845 13.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.118 -5.263 12.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.118 -6.424 13.362 1.00 0.00 H new ATOM 1396 N CYS A 91 0.272 -4.719 6.924 1.00 0.00 N ATOM 1397 CA CYS A 91 1.626 -5.232 6.751 1.00 0.00 C ATOM 1398 C CYS A 91 2.614 -4.463 7.623 1.00 0.00 C ATOM 1399 O CYS A 91 2.389 -3.300 7.956 1.00 0.00 O ATOM 1400 CB CYS A 91 2.045 -5.142 5.283 1.00 0.00 C ATOM 1401 SG CYS A 91 1.592 -3.586 4.481 1.00 0.00 S ATOM 0 H CYS A 91 0.198 -3.702 6.885 1.00 0.00 H new ATOM 0 HA CYS A 91 1.634 -6.277 7.059 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.125 -5.272 5.216 1.00 0.00 H new ATOM 0 HB3 CYS A 91 1.590 -5.967 4.735 1.00 0.00 H new ATOM 0 HG CYS A 91 0.592 -3.788 3.675 1.00 0.00 H new ATOM 1407 N SER A 92 3.708 -5.122 7.990 1.00 0.00 N ATOM 1408 CA SER A 92 4.729 -4.503 8.828 1.00 0.00 C ATOM 1409 C SER A 92 5.737 -3.735 7.979 1.00 0.00 C ATOM 1410 O SER A 92 6.381 -2.800 8.454 1.00 0.00 O ATOM 1411 CB SER A 92 5.450 -5.565 9.660 1.00 0.00 C ATOM 1412 OG SER A 92 6.146 -6.478 8.829 1.00 0.00 O ATOM 0 H SER A 92 3.911 -6.085 7.720 1.00 0.00 H new ATOM 0 HA SER A 92 4.235 -3.800 9.499 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.150 -5.083 10.343 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.727 -6.104 10.273 1.00 0.00 H new ATOM 0 HG SER A 92 6.600 -7.146 9.385 1.00 0.00 H new ATOM 1418 N ARG A 93 5.867 -4.138 6.719 1.00 0.00 N ATOM 1419 CA ARG A 93 6.797 -3.489 5.802 1.00 0.00 C ATOM 1420 C ARG A 93 6.082 -2.446 4.949 1.00 0.00 C ATOM 1421 O ARG A 93 6.461 -2.200 3.804 1.00 0.00 O ATOM 1422 CB ARG A 93 7.466 -4.529 4.901 1.00 0.00 C ATOM 1423 CG ARG A 93 8.203 -5.615 5.667 1.00 0.00 C ATOM 1424 CD ARG A 93 8.863 -6.611 4.726 1.00 0.00 C ATOM 1425 NE ARG A 93 7.973 -7.717 4.387 1.00 0.00 N ATOM 1426 CZ ARG A 93 7.724 -8.736 5.202 1.00 0.00 C ATOM 1427 NH1 ARG A 93 8.295 -8.788 6.398 1.00 0.00 N ATOM 1428 NH2 ARG A 93 6.901 -9.706 4.822 1.00 0.00 N ATOM 0 H ARG A 93 5.341 -4.910 6.310 1.00 0.00 H new ATOM 0 HA ARG A 93 7.561 -2.986 6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.707 -4.992 4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.168 -4.024 4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.960 -5.161 6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.505 -6.138 6.321 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.169 -6.099 3.813 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.768 -7.003 5.190 1.00 0.00 H new ATOM 0 HE ARG A 93 7.517 -7.707 3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.927 -8.044 6.694 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.102 -9.572 7.022 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.459 -9.669 3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.711 -10.488 5.449 1.00 0.00 H new ATOM 1442 N ALA A 94 5.045 -1.837 5.515 1.00 0.00 N ATOM 1443 CA ALA A 94 4.277 -0.819 4.807 1.00 0.00 C ATOM 1444 C ALA A 94 5.170 0.339 4.374 1.00 0.00 C ATOM 1445 O ALA A 94 5.042 0.849 3.261 1.00 0.00 O ATOM 1446 CB ALA A 94 3.140 -0.313 5.682 1.00 0.00 C ATOM 0 H ALA A 94 4.717 -2.031 6.461 1.00 0.00 H new ATOM 0 HA ALA A 94 3.856 -1.274 3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.575 0.446 5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.481 -1.143 5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.549 0.120 6.595 1.00 0.00 H new ATOM 1452 N GLU A 95 6.072 0.749 5.260 1.00 0.00 N ATOM 1453 CA GLU A 95 6.983 1.849 4.968 1.00 0.00 C ATOM 1454 C GLU A 95 7.760 1.584 3.681 1.00 0.00 C ATOM 1455 O GLU A 95 8.040 2.504 2.913 1.00 0.00 O ATOM 1456 CB GLU A 95 7.956 2.056 6.130 1.00 0.00 C ATOM 1457 CG GLU A 95 8.932 3.200 5.910 1.00 0.00 C ATOM 1458 CD GLU A 95 10.021 3.249 6.965 1.00 0.00 C ATOM 1459 OE1 GLU A 95 9.793 2.732 8.078 1.00 0.00 O ATOM 1460 OE2 GLU A 95 11.102 3.804 6.675 1.00 0.00 O ATOM 0 H GLU A 95 6.191 0.336 6.185 1.00 0.00 H new ATOM 0 HA GLU A 95 6.390 2.754 4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.387 2.245 7.040 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.518 1.136 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.389 3.098 4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.386 4.144 5.912 1.00 0.00 H new ATOM 1467 N GLU A 96 8.106 0.321 3.454 1.00 0.00 N ATOM 1468 CA GLU A 96 8.851 -0.065 2.262 1.00 0.00 C ATOM 1469 C GLU A 96 7.974 0.030 1.017 1.00 0.00 C ATOM 1470 O GLU A 96 8.338 0.680 0.037 1.00 0.00 O ATOM 1471 CB GLU A 96 9.393 -1.488 2.410 1.00 0.00 C ATOM 1472 CG GLU A 96 10.765 -1.552 3.059 1.00 0.00 C ATOM 1473 CD GLU A 96 11.893 -1.483 2.048 1.00 0.00 C ATOM 1474 OE1 GLU A 96 11.801 -0.659 1.114 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.867 -2.251 2.191 1.00 0.00 O ATOM 0 H GLU A 96 7.882 -0.452 4.080 1.00 0.00 H new ATOM 0 HA GLU A 96 9.688 0.625 2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.692 -2.075 3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.444 -1.953 1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.866 -0.730 3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.850 -2.477 3.630 1.00 0.00 H new ATOM 1482 N ILE A 97 6.817 -0.622 1.065 1.00 0.00 N ATOM 1483 CA ILE A 97 5.888 -0.611 -0.058 1.00 0.00 C ATOM 1484 C ILE A 97 5.564 0.816 -0.489 1.00 0.00 C ATOM 1485 O ILE A 97 5.635 1.149 -1.672 1.00 0.00 O ATOM 1486 CB ILE A 97 4.576 -1.340 0.289 1.00 0.00 C ATOM 1487 CG1 ILE A 97 4.867 -2.776 0.729 1.00 0.00 C ATOM 1488 CG2 ILE A 97 3.631 -1.327 -0.902 1.00 0.00 C ATOM 1489 CD1 ILE A 97 3.727 -3.419 1.488 1.00 0.00 C ATOM 0 H ILE A 97 6.501 -1.164 1.869 1.00 0.00 H new ATOM 0 HA ILE A 97 6.379 -1.134 -0.879 1.00 0.00 H new ATOM 0 HB ILE A 97 4.094 -0.817 1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.092 -3.378 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.759 -2.782 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.709 -1.846 -0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.403 -0.296 -1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.103 -1.829 -1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.004 -4.435 1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.516 -2.840 2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.839 -3.446 0.857 1.00 0.00 H new ATOM 1501 N PHE A 98 5.210 1.655 0.478 1.00 0.00 N ATOM 1502 CA PHE A 98 4.876 3.047 0.199 1.00 0.00 C ATOM 1503 C PHE A 98 6.020 3.744 -0.531 1.00 0.00 C ATOM 1504 O PHE A 98 5.832 4.301 -1.612 1.00 0.00 O ATOM 1505 CB PHE A 98 4.559 3.788 1.500 1.00 0.00 C ATOM 1506 CG PHE A 98 4.282 5.251 1.303 1.00 0.00 C ATOM 1507 CD1 PHE A 98 3.041 5.681 0.860 1.00 0.00 C ATOM 1508 CD2 PHE A 98 5.262 6.196 1.562 1.00 0.00 C ATOM 1509 CE1 PHE A 98 2.783 7.027 0.679 1.00 0.00 C ATOM 1510 CE2 PHE A 98 5.009 7.543 1.383 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.768 7.959 0.940 1.00 0.00 C ATOM 0 H PHE A 98 5.147 1.396 1.462 1.00 0.00 H new ATOM 0 HA PHE A 98 3.995 3.062 -0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.694 3.323 1.972 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.397 3.674 2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.267 4.956 0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.234 5.876 1.907 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.812 7.349 0.334 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.781 8.270 1.589 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.569 9.011 0.798 1.00 0.00 H new ATOM 1521 N ASN A 99 7.205 3.710 0.069 1.00 0.00 N ATOM 1522 CA ASN A 99 8.380 4.340 -0.523 1.00 0.00 C ATOM 1523 C ASN A 99 8.607 3.839 -1.946 1.00 0.00 C ATOM 1524 O ASN A 99 8.713 4.629 -2.885 1.00 0.00 O ATOM 1525 CB ASN A 99 9.618 4.062 0.331 1.00 0.00 C ATOM 1526 CG ASN A 99 9.652 4.905 1.591 1.00 0.00 C ATOM 1527 OD1 ASN A 99 9.282 6.079 1.576 1.00 0.00 O ATOM 1528 ND2 ASN A 99 10.099 4.308 2.691 1.00 0.00 N ATOM 0 H ASN A 99 7.377 3.253 0.965 1.00 0.00 H new ATOM 0 HA ASN A 99 8.206 5.415 -0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.639 3.007 0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.514 4.258 -0.258 1.00 0.00 H new ATOM 0 HD21 ASN A 99 10.146 4.825 3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 99 10.395 3.333 2.657 1.00 0.00 H new ATOM 1535 N LEU A 100 8.680 2.521 -2.098 1.00 0.00 N ATOM 1536 CA LEU A 100 8.894 1.913 -3.407 1.00 0.00 C ATOM 1537 C LEU A 100 7.816 2.351 -4.394 1.00 0.00 C ATOM 1538 O LEU A 100 8.108 2.671 -5.547 1.00 0.00 O ATOM 1539 CB LEU A 100 8.902 0.388 -3.288 1.00 0.00 C ATOM 1540 CG LEU A 100 8.931 -0.388 -4.604 1.00 0.00 C ATOM 1541 CD1 LEU A 100 10.243 -0.151 -5.335 1.00 0.00 C ATOM 1542 CD2 LEU A 100 8.719 -1.874 -4.352 1.00 0.00 C ATOM 0 H LEU A 100 8.594 1.853 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 100 9.862 2.248 -3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.770 0.094 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.018 0.083 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 100 8.118 -0.027 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.245 -0.712 -6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.353 0.912 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.072 -0.483 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.743 -2.411 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.510 -2.249 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.752 -2.027 -3.872 1.00 0.00 H new ATOM 1554 N LEU A 101 6.571 2.366 -3.933 1.00 0.00 N ATOM 1555 CA LEU A 101 5.448 2.768 -4.774 1.00 0.00 C ATOM 1556 C LEU A 101 5.648 4.183 -5.308 1.00 0.00 C ATOM 1557 O LEU A 101 5.589 4.415 -6.515 1.00 0.00 O ATOM 1558 CB LEU A 101 4.140 2.687 -3.986 1.00 0.00 C ATOM 1559 CG LEU A 101 2.858 2.910 -4.789 1.00 0.00 C ATOM 1560 CD1 LEU A 101 2.666 1.798 -5.808 1.00 0.00 C ATOM 1561 CD2 LEU A 101 1.656 2.999 -3.861 1.00 0.00 C ATOM 0 H LEU A 101 6.313 2.105 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 101 5.396 2.084 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.083 1.706 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.176 3.425 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 101 2.948 3.855 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.749 1.974 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.514 1.782 -6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.598 0.840 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.753 3.158 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.563 2.071 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.790 3.832 -3.171 1.00 0.00 H new ATOM 1573 N GLN A 102 5.885 5.125 -4.400 1.00 0.00 N ATOM 1574 CA GLN A 102 6.094 6.517 -4.781 1.00 0.00 C ATOM 1575 C GLN A 102 7.377 6.673 -5.591 1.00 0.00 C ATOM 1576 O GLN A 102 7.510 7.601 -6.388 1.00 0.00 O ATOM 1577 CB GLN A 102 6.152 7.404 -3.536 1.00 0.00 C ATOM 1578 CG GLN A 102 7.385 7.170 -2.679 1.00 0.00 C ATOM 1579 CD GLN A 102 7.763 8.386 -1.856 1.00 0.00 C ATOM 1580 OE1 GLN A 102 8.769 9.044 -2.124 1.00 0.00 O ATOM 1581 NE2 GLN A 102 6.956 8.691 -0.846 1.00 0.00 N ATOM 0 H GLN A 102 5.937 4.950 -3.397 1.00 0.00 H new ATOM 0 HA GLN A 102 5.254 6.828 -5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.127 8.449 -3.843 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.262 7.228 -2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.205 6.327 -2.012 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.222 6.896 -3.321 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.133 8.118 -0.660 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.159 9.498 -0.257 1.00 0.00 H new ATOM 1590 N ASP A 103 8.318 5.759 -5.381 1.00 0.00 N ATOM 1591 CA ASP A 103 9.590 5.794 -6.093 1.00 0.00 C ATOM 1592 C ASP A 103 9.407 5.393 -7.554 1.00 0.00 C ATOM 1593 O ASP A 103 10.044 5.954 -8.447 1.00 0.00 O ATOM 1594 CB ASP A 103 10.602 4.866 -5.419 1.00 0.00 C ATOM 1595 CG ASP A 103 11.407 5.569 -4.344 1.00 0.00 C ATOM 1596 OD1 ASP A 103 10.890 6.544 -3.758 1.00 0.00 O ATOM 1597 OD2 ASP A 103 12.553 5.145 -4.089 1.00 0.00 O ATOM 0 H ASP A 103 8.224 4.985 -4.724 1.00 0.00 H new ATOM 0 HA ASP A 103 9.968 6.816 -6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.076 4.018 -4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.280 4.465 -6.172 1.00 0.00 H new ATOM 1602 N LEU A 104 8.535 4.419 -7.789 1.00 0.00 N ATOM 1603 CA LEU A 104 8.268 3.942 -9.142 1.00 0.00 C ATOM 1604 C LEU A 104 7.514 4.992 -9.951 1.00 0.00 C ATOM 1605 O LEU A 104 7.744 5.149 -11.150 1.00 0.00 O ATOM 1606 CB LEU A 104 7.464 2.642 -9.096 1.00 0.00 C ATOM 1607 CG LEU A 104 8.167 1.439 -8.466 1.00 0.00 C ATOM 1608 CD1 LEU A 104 7.175 0.314 -8.212 1.00 0.00 C ATOM 1609 CD2 LEU A 104 9.304 0.960 -9.356 1.00 0.00 C ATOM 0 H LEU A 104 8.001 3.944 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 104 9.224 3.753 -9.630 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.542 2.828 -8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.179 2.378 -10.115 1.00 0.00 H new ATOM 0 HG LEU A 104 8.587 1.748 -7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.693 -0.534 -7.763 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.395 0.662 -7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.725 0.006 -9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.793 0.103 -8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.907 0.668 -10.328 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.028 1.764 -9.486 1.00 0.00 H new ATOM 1621 N MET A 105 6.614 5.710 -9.287 1.00 0.00 N ATOM 1622 CA MET A 105 5.829 6.748 -9.945 1.00 0.00 C ATOM 1623 C MET A 105 6.709 7.931 -10.334 1.00 0.00 C ATOM 1624 O MET A 105 6.766 8.315 -11.502 1.00 0.00 O ATOM 1625 CB MET A 105 4.697 7.218 -9.029 1.00 0.00 C ATOM 1626 CG MET A 105 3.685 6.131 -8.706 1.00 0.00 C ATOM 1627 SD MET A 105 2.717 6.499 -7.230 1.00 0.00 S ATOM 1628 CE MET A 105 1.071 6.618 -7.924 1.00 0.00 C ATOM 0 H MET A 105 6.410 5.592 -8.295 1.00 0.00 H new ATOM 0 HA MET A 105 5.400 6.324 -10.853 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.125 7.592 -8.099 1.00 0.00 H new ATOM 0 HB3 MET A 105 4.181 8.054 -9.502 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.012 6.003 -9.554 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.207 5.184 -8.567 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.530 7.431 -7.440 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.141 6.815 -8.994 1.00 0.00 H new ATOM 0 HE3 MET A 105 0.539 5.681 -7.762 1.00 0.00 H new ATOM 1638 N GLN A 106 7.392 8.504 -9.348 1.00 0.00 N ATOM 1639 CA GLN A 106 8.268 9.645 -9.589 1.00 0.00 C ATOM 1640 C GLN A 106 9.343 9.298 -10.614 1.00 0.00 C ATOM 1641 O GLN A 106 9.651 10.098 -11.499 1.00 0.00 O ATOM 1642 CB GLN A 106 8.920 10.099 -8.282 1.00 0.00 C ATOM 1643 CG GLN A 106 9.819 9.046 -7.653 1.00 0.00 C ATOM 1644 CD GLN A 106 10.104 9.322 -6.190 1.00 0.00 C ATOM 1645 OE1 GLN A 106 9.247 9.823 -5.462 1.00 0.00 O ATOM 1646 NE2 GLN A 106 11.314 8.995 -5.751 1.00 0.00 N ATOM 0 H GLN A 106 7.356 8.197 -8.376 1.00 0.00 H new ATOM 0 HA GLN A 106 7.662 10.459 -9.986 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.505 10.999 -8.471 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.139 10.370 -7.571 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.349 8.067 -7.749 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.760 9.003 -8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.994 8.582 -6.389 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.564 9.157 -4.775 1.00 0.00 H new ATOM 2022 N PHE A 136 -12.257 -6.643 -0.109 1.00 0.00 N ATOM 2023 CA PHE A 136 -13.184 -5.803 0.640 1.00 0.00 C ATOM 2024 C PHE A 136 -13.007 -4.334 0.270 1.00 0.00 C ATOM 2025 O PHE A 136 -11.894 -3.808 0.286 1.00 0.00 O ATOM 2026 CB PHE A 136 -12.974 -5.991 2.144 1.00 0.00 C ATOM 2027 CG PHE A 136 -14.022 -5.318 2.984 1.00 0.00 C ATOM 2028 CD1 PHE A 136 -15.249 -5.924 3.201 1.00 0.00 C ATOM 2029 CD2 PHE A 136 -13.779 -4.080 3.557 1.00 0.00 C ATOM 2030 CE1 PHE A 136 -16.214 -5.307 3.973 1.00 0.00 C ATOM 2031 CE2 PHE A 136 -14.741 -3.458 4.330 1.00 0.00 C ATOM 2032 CZ PHE A 136 -15.960 -4.073 4.539 1.00 0.00 C ATOM 0 HA PHE A 136 -14.199 -6.105 0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -12.967 -7.057 2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -11.994 -5.600 2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -15.453 -6.889 2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.827 -3.596 3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -17.167 -5.789 4.134 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -14.540 -2.492 4.770 1.00 0.00 H new ATOM 0 HZ PHE A 136 -16.713 -3.590 5.144 1.00 0.00 H new ATOM 2042 N ARG A 137 -14.112 -3.677 -0.065 1.00 0.00 N ATOM 2043 CA ARG A 137 -14.080 -2.269 -0.441 1.00 0.00 C ATOM 2044 C ARG A 137 -14.388 -1.378 0.759 1.00 0.00 C ATOM 2045 O ARG A 137 -15.505 -1.381 1.277 1.00 0.00 O ATOM 2046 CB ARG A 137 -15.083 -1.995 -1.564 1.00 0.00 C ATOM 2047 CG ARG A 137 -14.540 -2.294 -2.952 1.00 0.00 C ATOM 2048 CD ARG A 137 -15.656 -2.648 -3.922 1.00 0.00 C ATOM 2049 NE ARG A 137 -16.418 -1.472 -4.333 1.00 0.00 N ATOM 2050 CZ ARG A 137 -17.394 -1.506 -5.233 1.00 0.00 C ATOM 2051 NH1 ARG A 137 -17.725 -2.651 -5.813 1.00 0.00 N ATOM 2052 NH2 ARG A 137 -18.042 -0.393 -5.554 1.00 0.00 N ATOM 0 H ARG A 137 -15.041 -4.097 -0.084 1.00 0.00 H new ATOM 0 HA ARG A 137 -13.076 -2.037 -0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -15.977 -2.595 -1.396 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -15.388 -0.950 -1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -13.994 -1.428 -3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.830 -3.119 -2.896 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -15.231 -3.131 -4.802 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -16.327 -3.369 -3.455 1.00 0.00 H new ATOM 0 HE ARG A 137 -16.188 -0.575 -3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -17.230 -3.508 -5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -18.475 -2.675 -6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -17.791 0.490 -5.109 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -18.791 -0.421 -6.245 1.00 0.00 H new ATOM 2066 N LEU A 138 -13.391 -0.616 1.195 1.00 0.00 N ATOM 2067 CA LEU A 138 -13.555 0.280 2.335 1.00 0.00 C ATOM 2068 C LEU A 138 -14.372 1.509 1.948 1.00 0.00 C ATOM 2069 O LEU A 138 -14.357 1.938 0.794 1.00 0.00 O ATOM 2070 CB LEU A 138 -12.189 0.710 2.871 1.00 0.00 C ATOM 2071 CG LEU A 138 -11.264 -0.417 3.334 1.00 0.00 C ATOM 2072 CD1 LEU A 138 -9.832 0.080 3.449 1.00 0.00 C ATOM 2073 CD2 LEU A 138 -11.741 -0.987 4.661 1.00 0.00 C ATOM 0 H LEU A 138 -12.461 -0.600 0.777 1.00 0.00 H new ATOM 0 HA LEU A 138 -14.091 -0.259 3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -11.677 1.276 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -12.347 1.390 3.708 1.00 0.00 H new ATOM 0 HG LEU A 138 -11.291 -1.212 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.189 -0.736 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.492 0.439 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -9.786 0.894 4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -11.071 -1.788 4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -11.744 -0.200 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -12.750 -1.383 4.545 1.00 0.00 H new ATOM 2085 N ARG A 139 -15.081 2.071 2.921 1.00 0.00 N ATOM 2086 CA ARG A 139 -15.903 3.252 2.682 1.00 0.00 C ATOM 2087 C ARG A 139 -15.100 4.529 2.912 1.00 0.00 C ATOM 2088 O ARG A 139 -15.365 5.561 2.295 1.00 0.00 O ATOM 2089 CB ARG A 139 -17.131 3.237 3.595 1.00 0.00 C ATOM 2090 CG ARG A 139 -18.324 2.508 2.998 1.00 0.00 C ATOM 2091 CD ARG A 139 -19.458 2.381 4.004 1.00 0.00 C ATOM 2092 NE ARG A 139 -20.349 3.538 3.973 1.00 0.00 N ATOM 2093 CZ ARG A 139 -21.310 3.749 4.865 1.00 0.00 C ATOM 2094 NH1 ARG A 139 -21.504 2.885 5.853 1.00 0.00 N ATOM 2095 NH2 ARG A 139 -22.080 4.825 4.770 1.00 0.00 N ATOM 0 H ARG A 139 -15.103 1.728 3.881 1.00 0.00 H new ATOM 0 HA ARG A 139 -16.231 3.232 1.643 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -16.864 2.766 4.541 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -17.419 4.264 3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -18.676 3.044 2.117 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -18.017 1.516 2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -20.030 1.477 3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -19.043 2.270 5.006 1.00 0.00 H new ATOM 0 HE ARG A 139 -20.226 4.221 3.226 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -20.914 2.056 5.929 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -22.243 3.050 6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -21.934 5.491 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -22.818 4.986 5.456 1.00 0.00 H new ATOM 2109 N HIS A 140 -14.118 4.452 3.805 1.00 0.00 N ATOM 2110 CA HIS A 140 -13.276 5.601 4.117 1.00 0.00 C ATOM 2111 C HIS A 140 -11.802 5.210 4.120 1.00 0.00 C ATOM 2112 O HIS A 140 -11.459 4.044 4.316 1.00 0.00 O ATOM 2113 CB HIS A 140 -13.662 6.189 5.475 1.00 0.00 C ATOM 2114 CG HIS A 140 -12.992 5.514 6.632 1.00 0.00 C ATOM 2115 ND1 HIS A 140 -11.924 6.065 7.308 1.00 0.00 N ATOM 2116 CD2 HIS A 140 -13.246 4.328 7.233 1.00 0.00 C ATOM 2117 CE1 HIS A 140 -11.548 5.245 8.274 1.00 0.00 C ATOM 2118 NE2 HIS A 140 -12.335 4.184 8.250 1.00 0.00 N ATOM 0 H HIS A 140 -13.886 3.606 4.325 1.00 0.00 H new ATOM 0 HA HIS A 140 -13.432 6.355 3.345 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -13.410 7.249 5.488 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -14.743 6.117 5.599 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -14.021 3.626 6.963 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -10.736 5.414 8.965 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -12.275 3.387 8.884 1.00 0.00 H new ATOM 2127 N PHE A 141 -10.934 6.192 3.899 1.00 0.00 N ATOM 2128 CA PHE A 141 -9.496 5.950 3.874 1.00 0.00 C ATOM 2129 C PHE A 141 -8.957 5.730 5.284 1.00 0.00 C ATOM 2130 O PHE A 141 -8.965 6.629 6.126 1.00 0.00 O ATOM 2131 CB PHE A 141 -8.771 7.126 3.216 1.00 0.00 C ATOM 2132 CG PHE A 141 -7.482 6.738 2.549 1.00 0.00 C ATOM 2133 CD1 PHE A 141 -7.483 5.914 1.435 1.00 0.00 C ATOM 2134 CD2 PHE A 141 -6.269 7.197 3.037 1.00 0.00 C ATOM 2135 CE1 PHE A 141 -6.298 5.555 0.821 1.00 0.00 C ATOM 2136 CE2 PHE A 141 -5.081 6.842 2.426 1.00 0.00 C ATOM 2137 CZ PHE A 141 -5.096 6.021 1.316 1.00 0.00 C ATOM 0 H PHE A 141 -11.201 7.163 3.735 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.315 5.048 3.290 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -9.430 7.582 2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.566 7.885 3.971 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -8.420 5.548 1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.252 7.840 3.905 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.312 4.910 -0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.142 7.206 2.816 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.169 5.744 0.836 1.00 0.00 H new ATOM 2147 N PRO A 142 -8.477 4.506 5.550 1.00 0.00 N ATOM 2148 CA PRO A 142 -7.925 4.139 6.857 1.00 0.00 C ATOM 2149 C PRO A 142 -6.595 4.828 7.139 1.00 0.00 C ATOM 2150 O PRO A 142 -6.312 5.212 8.275 1.00 0.00 O ATOM 2151 CB PRO A 142 -7.730 2.624 6.747 1.00 0.00 C ATOM 2152 CG PRO A 142 -7.575 2.368 5.288 1.00 0.00 C ATOM 2153 CD PRO A 142 -8.437 3.386 4.594 1.00 0.00 C ATOM 0 HA PRO A 142 -8.580 4.440 7.675 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -6.851 2.296 7.302 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -8.584 2.084 7.155 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.533 2.466 4.983 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -7.887 1.355 5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -8.011 3.689 3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.434 2.996 4.389 1.00 0.00 H new ATOM 2161 N CYS A 143 -5.781 4.981 6.100 1.00 0.00 N ATOM 2162 CA CYS A 143 -4.479 5.624 6.236 1.00 0.00 C ATOM 2163 C CYS A 143 -4.633 7.132 6.408 1.00 0.00 C ATOM 2164 O CYS A 143 -5.656 7.708 6.041 1.00 0.00 O ATOM 2165 CB CYS A 143 -3.609 5.324 5.015 1.00 0.00 C ATOM 2166 SG CYS A 143 -2.839 3.688 5.042 1.00 0.00 S ATOM 0 H CYS A 143 -6.000 4.668 5.154 1.00 0.00 H new ATOM 0 HA CYS A 143 -3.994 5.223 7.126 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -4.220 5.412 4.117 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -2.828 6.081 4.944 1.00 0.00 H new ATOM 0 HG CYS A 143 -3.741 2.788 5.301 1.00 0.00 H new ATOM 2172 N GLY A 144 -3.609 7.766 6.971 1.00 0.00 N ATOM 2173 CA GLY A 144 -3.651 9.201 7.183 1.00 0.00 C ATOM 2174 C GLY A 144 -2.741 9.955 6.233 1.00 0.00 C ATOM 2175 O GLY A 144 -3.187 10.850 5.516 1.00 0.00 O ATOM 0 H GLY A 144 -2.751 7.311 7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -4.675 9.554 7.057 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -3.362 9.422 8.210 1.00 0.00 H new ATOM 2179 N ASN A 145 -1.462 9.593 6.229 1.00 0.00 N ATOM 2180 CA ASN A 145 -0.487 10.244 5.361 1.00 0.00 C ATOM 2181 C ASN A 145 -0.738 9.889 3.899 1.00 0.00 C ATOM 2182 O ASN A 145 -0.138 8.958 3.363 1.00 0.00 O ATOM 2183 CB ASN A 145 0.933 9.837 5.760 1.00 0.00 C ATOM 2184 CG ASN A 145 1.126 9.811 7.264 1.00 0.00 C ATOM 2185 OD1 ASN A 145 1.203 10.856 7.909 1.00 0.00 O ATOM 2186 ND2 ASN A 145 1.206 8.612 7.829 1.00 0.00 N ATOM 0 H ASN A 145 -1.077 8.853 6.816 1.00 0.00 H new ATOM 0 HA ASN A 145 -0.595 11.322 5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 145 1.154 8.851 5.351 1.00 0.00 H new ATOM 0 HB3 ASN A 145 1.645 10.533 5.317 1.00 0.00 H new ATOM 0 HD21 ASN A 145 1.337 8.531 8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 145 1.137 7.772 7.255 1.00 0.00 H new ATOM 2193 N VAL A 146 -1.630 10.639 3.258 1.00 0.00 N ATOM 2194 CA VAL A 146 -1.960 10.405 1.858 1.00 0.00 C ATOM 2195 C VAL A 146 -0.957 11.089 0.935 1.00 0.00 C ATOM 2196 O VAL A 146 -0.514 12.205 1.202 1.00 0.00 O ATOM 2197 CB VAL A 146 -3.376 10.910 1.523 1.00 0.00 C ATOM 2198 CG1 VAL A 146 -3.651 10.779 0.033 1.00 0.00 C ATOM 2199 CG2 VAL A 146 -4.417 10.153 2.334 1.00 0.00 C ATOM 0 H VAL A 146 -2.136 11.414 3.687 1.00 0.00 H new ATOM 0 HA VAL A 146 -1.920 9.327 1.699 1.00 0.00 H new ATOM 0 HB VAL A 146 -3.439 11.965 1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -4.656 11.141 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -2.924 11.370 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -3.570 9.733 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -5.412 10.523 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -4.356 9.090 2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -4.230 10.304 3.397 1.00 0.00 H new ATOM 2209 N ASN A 147 -0.604 10.411 -0.152 1.00 0.00 N ATOM 2210 CA ASN A 147 0.348 10.954 -1.115 1.00 0.00 C ATOM 2211 C ASN A 147 -0.256 10.989 -2.516 1.00 0.00 C ATOM 2212 O ASN A 147 -1.081 10.145 -2.869 1.00 0.00 O ATOM 2213 CB ASN A 147 1.631 10.120 -1.121 1.00 0.00 C ATOM 2214 CG ASN A 147 2.815 10.885 -1.680 1.00 0.00 C ATOM 2215 OD1 ASN A 147 2.762 12.105 -1.835 1.00 0.00 O ATOM 2216 ND2 ASN A 147 3.890 10.169 -1.986 1.00 0.00 N ATOM 0 H ASN A 147 -0.962 9.486 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 147 0.588 11.974 -0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 147 1.857 9.798 -0.104 1.00 0.00 H new ATOM 0 HB3 ASN A 147 1.472 9.218 -1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 147 4.717 10.628 -2.367 1.00 0.00 H new ATOM 0 HD22 ASN A 147 3.889 9.159 -1.841 1.00 0.00 H new ATOM 2223 N TYR A 148 0.161 11.969 -3.309 1.00 0.00 N ATOM 2224 CA TYR A 148 -0.340 12.115 -4.671 1.00 0.00 C ATOM 2225 C TYR A 148 0.734 11.742 -5.689 1.00 0.00 C ATOM 2226 O TYR A 148 1.906 12.074 -5.521 1.00 0.00 O ATOM 2227 CB TYR A 148 -0.810 13.550 -4.912 1.00 0.00 C ATOM 2228 CG TYR A 148 -1.718 14.081 -3.825 1.00 0.00 C ATOM 2229 CD1 TYR A 148 -2.836 13.366 -3.416 1.00 0.00 C ATOM 2230 CD2 TYR A 148 -1.455 15.297 -3.206 1.00 0.00 C ATOM 2231 CE1 TYR A 148 -3.668 13.847 -2.423 1.00 0.00 C ATOM 2232 CE2 TYR A 148 -2.281 15.785 -2.212 1.00 0.00 C ATOM 2233 CZ TYR A 148 -3.386 15.057 -1.824 1.00 0.00 C ATOM 2234 OH TYR A 148 -4.211 15.539 -0.834 1.00 0.00 O ATOM 0 H TYR A 148 0.844 12.674 -3.033 1.00 0.00 H new ATOM 0 HA TYR A 148 -1.184 11.437 -4.796 1.00 0.00 H new ATOM 0 HB2 TYR A 148 0.061 14.200 -4.995 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -1.334 13.596 -5.866 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -3.059 12.418 -3.882 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -0.590 15.870 -3.507 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -4.534 13.279 -2.118 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -2.062 16.732 -1.741 1.00 0.00 H new ATOM 0 HH TYR A 148 -3.871 16.402 -0.516 1.00 0.00 H new ATOM 2244 N GLY A 149 0.322 11.049 -6.746 1.00 0.00 N ATOM 2245 CA GLY A 149 1.259 10.642 -7.777 1.00 0.00 C ATOM 2246 C GLY A 149 1.033 11.371 -9.087 1.00 0.00 C ATOM 2247 O GLY A 149 1.583 12.450 -9.308 1.00 0.00 O ATOM 0 H GLY A 149 -0.644 10.762 -6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.276 10.827 -7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.169 9.568 -7.942 1.00 0.00 H new