USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 560 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 23 MET CE :methyl -171:sc= -0.188 (180deg=-0.271) USER MOD Set 1.2: A 74 SER OG : rot 180:sc= -0.0892 USER MOD Set 1.3: A 78 GLN : amide:sc= 0.685 K(o=0.41,f=-0.31) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0818 USER MOD Single : A 27 SER OG : rot 106:sc= 1.28 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.329 K(o=0.33,f=-0.21) USER MOD Single : A 44 LYS NZ :NH3+ -133:sc= 1.21 (180deg=0.278) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 1.12 K(o=1.1,f=-0.14) USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00359 USER MOD Single : A 56 MET CE :methyl 171:sc= -0.087 (180deg=-0.476) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.047) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 63 MET CE :methyl -151:sc= -0.0589 (180deg=-1.29) USER MOD Single : A 66 CYS SG : rot -22:sc= 0.036 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0978 USER MOD Single : A 82 HIS : no HD1:sc= -0.032 X(o=-0.032,f=-0.0039) USER MOD Single : A 84 SER OG : rot 158:sc= 0.17 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 254 N PHE A 20 8.559 -10.229 5.578 1.00 0.00 N ATOM 255 CA PHE A 20 7.367 -9.466 5.216 1.00 0.00 C ATOM 256 C PHE A 20 7.827 -8.299 4.338 1.00 0.00 C ATOM 257 O PHE A 20 9.033 -8.042 4.237 1.00 0.00 O ATOM 258 CB PHE A 20 6.643 -8.968 6.486 1.00 0.00 C ATOM 259 CG PHE A 20 5.328 -9.670 6.769 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.323 -11.025 7.135 1.00 0.00 C ATOM 261 CD2 PHE A 20 4.106 -8.976 6.675 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.112 -11.687 7.387 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.892 -9.633 6.942 1.00 0.00 C ATOM 264 CZ PHE A 20 2.893 -10.992 7.298 1.00 0.00 C ATOM 0 HA PHE A 20 6.655 -10.084 4.670 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.304 -9.100 7.343 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.457 -7.898 6.389 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.256 -11.561 7.223 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.101 -7.933 6.396 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.116 -12.734 7.650 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.959 -9.093 6.873 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.962 -11.500 7.502 1.00 0.00 H new ATOM 274 N VAL A 21 6.884 -7.617 3.693 1.00 0.00 N ATOM 275 CA VAL A 21 7.140 -6.473 2.832 1.00 0.00 C ATOM 276 C VAL A 21 6.055 -5.435 3.136 1.00 0.00 C ATOM 277 O VAL A 21 4.952 -5.778 3.577 1.00 0.00 O ATOM 278 CB VAL A 21 7.250 -6.945 1.364 1.00 0.00 C ATOM 279 CG1 VAL A 21 6.004 -7.665 0.828 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.593 -5.813 0.396 1.00 0.00 C ATOM 0 H VAL A 21 5.894 -7.854 3.759 1.00 0.00 H new ATOM 0 HA VAL A 21 8.097 -5.985 3.019 1.00 0.00 H new ATOM 0 HB VAL A 21 8.069 -7.663 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.172 -7.960 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.809 -8.552 1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.146 -6.995 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.656 -6.208 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.817 -5.049 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.551 -5.374 0.675 1.00 0.00 H new ATOM 290 N THR A 22 6.352 -4.160 2.944 1.00 0.00 N ATOM 291 CA THR A 22 5.418 -3.069 3.206 1.00 0.00 C ATOM 292 C THR A 22 4.925 -2.519 1.863 1.00 0.00 C ATOM 293 O THR A 22 5.598 -2.646 0.841 1.00 0.00 O ATOM 294 CB THR A 22 6.120 -2.027 4.094 1.00 0.00 C ATOM 295 OG1 THR A 22 6.863 -2.683 5.118 1.00 0.00 O ATOM 296 CG2 THR A 22 5.153 -1.090 4.814 1.00 0.00 C ATOM 0 H THR A 22 7.259 -3.846 2.598 1.00 0.00 H new ATOM 0 HA THR A 22 4.534 -3.399 3.752 1.00 0.00 H new ATOM 0 HB THR A 22 6.748 -1.448 3.417 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.309 -2.014 5.678 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.717 -0.382 5.422 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.559 -0.546 4.080 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.492 -1.672 5.455 1.00 0.00 H new ATOM 304 N MET A 23 3.742 -1.908 1.856 1.00 0.00 N ATOM 305 CA MET A 23 3.097 -1.334 0.683 1.00 0.00 C ATOM 306 C MET A 23 2.622 0.077 1.006 1.00 0.00 C ATOM 307 O MET A 23 2.340 0.392 2.171 1.00 0.00 O ATOM 308 CB MET A 23 1.898 -2.222 0.314 1.00 0.00 C ATOM 309 CG MET A 23 2.288 -3.426 -0.543 1.00 0.00 C ATOM 310 SD MET A 23 2.334 -3.034 -2.304 1.00 0.00 S ATOM 311 CE MET A 23 2.691 -4.668 -2.970 1.00 0.00 C ATOM 0 H MET A 23 3.186 -1.796 2.704 1.00 0.00 H new ATOM 0 HA MET A 23 3.795 -1.285 -0.153 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.418 -2.573 1.228 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.162 -1.624 -0.223 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.266 -3.790 -0.229 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.578 -4.235 -0.372 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.913 -4.587 -4.034 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.551 -5.092 -2.452 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.826 -5.316 -2.828 1.00 0.00 H new ATOM 321 N THR A 24 2.458 0.916 -0.014 1.00 0.00 N ATOM 322 CA THR A 24 1.999 2.300 0.108 1.00 0.00 C ATOM 323 C THR A 24 0.973 2.552 -0.994 1.00 0.00 C ATOM 324 O THR A 24 1.245 2.265 -2.163 1.00 0.00 O ATOM 325 CB THR A 24 3.172 3.298 0.004 1.00 0.00 C ATOM 326 OG1 THR A 24 4.420 2.695 0.286 1.00 0.00 O ATOM 327 CG2 THR A 24 3.040 4.435 1.011 1.00 0.00 C ATOM 0 H THR A 24 2.646 0.644 -0.979 1.00 0.00 H new ATOM 0 HA THR A 24 1.548 2.451 1.089 1.00 0.00 H new ATOM 0 HB THR A 24 3.132 3.660 -1.023 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.132 3.364 0.206 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.885 5.115 0.905 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.113 4.978 0.828 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.028 4.026 2.021 1.00 0.00 H new ATOM 335 N LEU A 25 -0.204 3.052 -0.624 1.00 0.00 N ATOM 336 CA LEU A 25 -1.315 3.366 -1.516 1.00 0.00 C ATOM 337 C LEU A 25 -1.521 4.876 -1.415 1.00 0.00 C ATOM 338 O LEU A 25 -1.707 5.387 -0.311 1.00 0.00 O ATOM 339 CB LEU A 25 -2.560 2.564 -1.093 1.00 0.00 C ATOM 340 CG LEU A 25 -3.698 2.672 -2.125 1.00 0.00 C ATOM 341 CD1 LEU A 25 -3.469 1.750 -3.326 1.00 0.00 C ATOM 342 CD2 LEU A 25 -5.042 2.324 -1.477 1.00 0.00 C ATOM 0 H LEU A 25 -0.418 3.258 0.352 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.117 3.091 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.288 1.517 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.912 2.925 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.711 3.703 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.295 1.857 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.535 2.020 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.414 0.716 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.836 2.405 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.007 1.305 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.240 3.014 -0.657 1.00 0.00 H new ATOM 354 N GLU A 26 -1.499 5.595 -2.532 1.00 0.00 N ATOM 355 CA GLU A 26 -1.640 7.048 -2.579 1.00 0.00 C ATOM 356 C GLU A 26 -2.876 7.466 -3.369 1.00 0.00 C ATOM 357 O GLU A 26 -3.182 6.866 -4.403 1.00 0.00 O ATOM 358 CB GLU A 26 -0.349 7.639 -3.166 1.00 0.00 C ATOM 359 CG GLU A 26 0.852 7.357 -2.248 1.00 0.00 C ATOM 360 CD GLU A 26 2.157 7.986 -2.737 1.00 0.00 C ATOM 361 OE1 GLU A 26 2.481 7.927 -3.943 1.00 0.00 O ATOM 362 OE2 GLU A 26 2.929 8.478 -1.883 1.00 0.00 O ATOM 0 H GLU A 26 -1.380 5.174 -3.453 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.787 7.438 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.165 7.213 -4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.465 8.715 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.630 7.731 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.988 6.279 -2.162 1.00 0.00 H new ATOM 369 N SER A 27 -3.580 8.487 -2.871 1.00 0.00 N ATOM 370 CA SER A 27 -4.793 9.041 -3.454 1.00 0.00 C ATOM 371 C SER A 27 -4.510 10.336 -4.228 1.00 0.00 C ATOM 372 O SER A 27 -3.404 10.891 -4.167 1.00 0.00 O ATOM 373 CB SER A 27 -5.791 9.296 -2.308 1.00 0.00 C ATOM 374 OG SER A 27 -5.201 9.995 -1.223 1.00 0.00 O ATOM 0 H SER A 27 -3.303 8.966 -2.014 1.00 0.00 H new ATOM 0 HA SER A 27 -5.209 8.335 -4.173 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.638 9.868 -2.688 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.183 8.343 -1.953 1.00 0.00 H new ATOM 0 HG SER A 27 -5.512 10.924 -1.225 1.00 0.00 H new ATOM 380 N LEU A 28 -5.507 10.822 -4.972 1.00 0.00 N ATOM 381 CA LEU A 28 -5.406 12.058 -5.743 1.00 0.00 C ATOM 382 C LEU A 28 -5.550 13.248 -4.799 1.00 0.00 C ATOM 383 O LEU A 28 -4.938 14.294 -5.015 1.00 0.00 O ATOM 384 CB LEU A 28 -6.515 12.128 -6.805 1.00 0.00 C ATOM 385 CG LEU A 28 -6.303 11.170 -7.987 1.00 0.00 C ATOM 386 CD1 LEU A 28 -7.571 11.134 -8.833 1.00 0.00 C ATOM 387 CD2 LEU A 28 -5.131 11.583 -8.887 1.00 0.00 C ATOM 0 H LEU A 28 -6.414 10.363 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.437 12.081 -6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.471 11.902 -6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.579 13.148 -7.183 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.071 10.191 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.428 10.456 -9.674 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.405 10.786 -8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.788 12.135 -9.207 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.030 10.869 -9.704 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.318 12.577 -9.294 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.211 11.598 -8.303 1.00 0.00 H new ATOM 399 N GLU A 29 -6.369 13.119 -3.759 1.00 0.00 N ATOM 400 CA GLU A 29 -6.589 14.166 -2.783 1.00 0.00 C ATOM 401 C GLU A 29 -6.724 13.547 -1.394 1.00 0.00 C ATOM 402 O GLU A 29 -6.499 12.348 -1.195 1.00 0.00 O ATOM 403 CB GLU A 29 -7.781 15.047 -3.208 1.00 0.00 C ATOM 404 CG GLU A 29 -7.493 16.533 -2.954 1.00 0.00 C ATOM 405 CD GLU A 29 -8.583 17.477 -3.474 1.00 0.00 C ATOM 406 OE1 GLU A 29 -9.545 17.036 -4.149 1.00 0.00 O ATOM 407 OE2 GLU A 29 -8.409 18.712 -3.316 1.00 0.00 O ATOM 0 H GLU A 29 -6.903 12.270 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.733 14.838 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.993 14.891 -4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.672 14.747 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.371 16.691 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.545 16.795 -3.425 1.00 0.00 H new ATOM 414 N GLU A 30 -7.012 14.402 -0.422 1.00 0.00 N ATOM 415 CA GLU A 30 -7.188 14.048 0.970 1.00 0.00 C ATOM 416 C GLU A 30 -8.471 13.217 1.125 1.00 0.00 C ATOM 417 O GLU A 30 -9.357 13.230 0.262 1.00 0.00 O ATOM 418 CB GLU A 30 -7.248 15.366 1.748 1.00 0.00 C ATOM 419 CG GLU A 30 -6.935 15.236 3.235 1.00 0.00 C ATOM 420 CD GLU A 30 -7.292 16.540 3.933 1.00 0.00 C ATOM 421 OE1 GLU A 30 -8.510 16.800 4.086 1.00 0.00 O ATOM 422 OE2 GLU A 30 -6.377 17.297 4.328 1.00 0.00 O ATOM 0 H GLU A 30 -7.133 15.400 -0.594 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.372 13.436 1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.545 16.069 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.244 15.795 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.500 14.411 3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.879 15.009 3.379 1.00 0.00 H new ATOM 429 N ILE A 31 -8.579 12.498 2.238 1.00 0.00 N ATOM 430 CA ILE A 31 -9.698 11.627 2.581 1.00 0.00 C ATOM 431 C ILE A 31 -10.019 11.770 4.073 1.00 0.00 C ATOM 432 O ILE A 31 -9.321 12.477 4.812 1.00 0.00 O ATOM 433 CB ILE A 31 -9.382 10.167 2.158 1.00 0.00 C ATOM 434 CG1 ILE A 31 -8.020 9.705 2.722 1.00 0.00 C ATOM 435 CG2 ILE A 31 -9.441 10.017 0.626 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.584 8.319 2.249 1.00 0.00 C ATOM 0 H ILE A 31 -7.856 12.507 2.958 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.593 11.921 2.033 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.146 9.517 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.257 10.430 2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.071 9.706 3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.216 8.986 0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.439 10.277 0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.709 10.682 0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.619 8.071 2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.324 7.580 2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.498 8.316 1.162 1.00 0.00 H new ATOM 448 N GLN A 32 -11.082 11.096 4.515 1.00 0.00 N ATOM 449 CA GLN A 32 -11.547 11.120 5.893 1.00 0.00 C ATOM 450 C GLN A 32 -10.684 10.248 6.808 1.00 0.00 C ATOM 451 O GLN A 32 -10.004 10.780 7.687 1.00 0.00 O ATOM 452 CB GLN A 32 -13.033 10.722 5.936 1.00 0.00 C ATOM 453 CG GLN A 32 -13.627 10.811 7.350 1.00 0.00 C ATOM 454 CD GLN A 32 -15.141 10.628 7.345 1.00 0.00 C ATOM 455 OE1 GLN A 32 -15.641 9.537 7.079 1.00 0.00 O ATOM 456 NE2 GLN A 32 -15.902 11.648 7.700 1.00 0.00 N ATOM 0 H GLN A 32 -11.652 10.507 3.908 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.449 12.135 6.279 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.599 11.370 5.267 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.144 9.704 5.563 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.172 10.050 7.983 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.380 11.779 7.787 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -15.477 12.549 7.919 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.914 11.534 7.755 1.00 0.00 H new ATOM 465 N ASP A 33 -10.707 8.923 6.627 1.00 0.00 N ATOM 466 CA ASP A 33 -9.964 7.953 7.437 1.00 0.00 C ATOM 467 C ASP A 33 -9.709 6.680 6.641 1.00 0.00 C ATOM 468 O ASP A 33 -10.228 6.513 5.534 1.00 0.00 O ATOM 469 CB ASP A 33 -10.829 7.523 8.638 1.00 0.00 C ATOM 470 CG ASP A 33 -10.775 8.467 9.818 1.00 0.00 C ATOM 471 OD1 ASP A 33 -9.691 8.654 10.407 1.00 0.00 O ATOM 472 OD2 ASP A 33 -11.881 8.847 10.268 1.00 0.00 O ATOM 0 H ASP A 33 -11.260 8.484 5.891 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.030 8.423 7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.864 7.430 8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.509 6.534 8.965 1.00 0.00 H new ATOM 477 N VAL A 34 -8.990 5.736 7.263 1.00 0.00 N ATOM 478 CA VAL A 34 -8.654 4.435 6.705 1.00 0.00 C ATOM 479 C VAL A 34 -9.918 3.677 6.285 1.00 0.00 C ATOM 480 O VAL A 34 -9.832 2.841 5.395 1.00 0.00 O ATOM 481 CB VAL A 34 -7.844 3.590 7.715 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.445 4.152 7.991 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.562 3.404 9.061 1.00 0.00 C ATOM 0 H VAL A 34 -8.616 5.870 8.203 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.038 4.605 5.822 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.748 2.622 7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.931 3.512 8.708 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.877 4.186 7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.531 5.158 8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.941 2.802 9.725 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.741 4.378 9.516 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.514 2.899 8.899 1.00 0.00 H new ATOM 493 N SER A 35 -11.086 3.939 6.893 1.00 0.00 N ATOM 494 CA SER A 35 -12.334 3.263 6.546 1.00 0.00 C ATOM 495 C SER A 35 -12.616 3.421 5.043 1.00 0.00 C ATOM 496 O SER A 35 -13.118 2.486 4.415 1.00 0.00 O ATOM 497 CB SER A 35 -13.474 3.799 7.425 1.00 0.00 C ATOM 498 OG SER A 35 -14.651 3.016 7.308 1.00 0.00 O ATOM 0 H SER A 35 -11.186 4.627 7.639 1.00 0.00 H new ATOM 0 HA SER A 35 -12.250 2.194 6.742 1.00 0.00 H new ATOM 0 HB2 SER A 35 -13.152 3.815 8.466 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.695 4.829 7.144 1.00 0.00 H new ATOM 0 HG SER A 35 -15.351 3.389 7.884 1.00 0.00 H new ATOM 504 N CYS A 36 -12.287 4.578 4.452 1.00 0.00 N ATOM 505 CA CYS A 36 -12.497 4.807 3.032 1.00 0.00 C ATOM 506 C CYS A 36 -11.634 3.828 2.232 1.00 0.00 C ATOM 507 O CYS A 36 -12.154 3.131 1.356 1.00 0.00 O ATOM 508 CB CYS A 36 -12.188 6.267 2.669 1.00 0.00 C ATOM 509 SG CYS A 36 -13.298 7.379 3.581 1.00 0.00 S ATOM 0 H CYS A 36 -11.873 5.368 4.946 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.543 4.630 2.781 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.150 6.499 2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.309 6.418 1.596 1.00 0.00 H new ATOM 0 HG CYS A 36 -13.028 8.612 3.270 1.00 0.00 H new ATOM 515 N ALA A 37 -10.336 3.777 2.552 1.00 0.00 N ATOM 516 CA ALA A 37 -9.361 2.907 1.910 1.00 0.00 C ATOM 517 C ALA A 37 -9.761 1.439 2.089 1.00 0.00 C ATOM 518 O ALA A 37 -9.763 0.694 1.117 1.00 0.00 O ATOM 519 CB ALA A 37 -7.963 3.187 2.475 1.00 0.00 C ATOM 0 H ALA A 37 -9.930 4.358 3.285 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.339 3.113 0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.237 2.533 1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.696 4.227 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.960 3.000 3.549 1.00 0.00 H new ATOM 525 N TRP A 38 -10.141 1.018 3.302 1.00 0.00 N ATOM 526 CA TRP A 38 -10.560 -0.345 3.622 1.00 0.00 C ATOM 527 C TRP A 38 -11.682 -0.788 2.681 1.00 0.00 C ATOM 528 O TRP A 38 -11.554 -1.816 2.015 1.00 0.00 O ATOM 529 CB TRP A 38 -11.000 -0.449 5.096 1.00 0.00 C ATOM 530 CG TRP A 38 -9.904 -0.734 6.083 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.382 0.105 7.005 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.168 -1.979 6.237 1.00 0.00 C ATOM 533 NE1 TRP A 38 -8.338 -0.515 7.668 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.153 -1.806 7.218 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.253 -3.233 5.612 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.248 -2.828 7.534 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.316 -4.247 5.881 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.321 -4.057 6.852 1.00 0.00 C ATOM 0 H TRP A 38 -10.165 1.639 4.111 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.710 -1.013 3.480 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.485 0.486 5.378 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -11.751 -1.235 5.178 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.728 1.110 7.196 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -7.777 -0.074 8.397 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -10.053 -3.423 4.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.499 -2.674 8.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.363 -5.178 5.336 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.618 -4.846 7.074 1.00 0.00 H new ATOM 549 N LYS A 39 -12.778 -0.025 2.599 1.00 0.00 N ATOM 550 CA LYS A 39 -13.912 -0.368 1.734 1.00 0.00 C ATOM 551 C LYS A 39 -13.480 -0.464 0.266 1.00 0.00 C ATOM 552 O LYS A 39 -13.942 -1.350 -0.449 1.00 0.00 O ATOM 553 CB LYS A 39 -15.047 0.650 1.926 1.00 0.00 C ATOM 554 CG LYS A 39 -15.662 0.591 3.339 1.00 0.00 C ATOM 555 CD LYS A 39 -16.671 1.727 3.590 1.00 0.00 C ATOM 556 CE LYS A 39 -18.093 1.370 3.133 1.00 0.00 C ATOM 557 NZ LYS A 39 -18.767 0.470 4.093 1.00 0.00 N ATOM 0 H LYS A 39 -12.903 0.840 3.125 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.285 -1.351 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.665 1.654 1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.826 0.464 1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.159 -0.369 3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.866 0.646 4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.685 1.966 4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.340 2.624 3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.678 2.283 3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.051 0.892 2.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.724 0.251 3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.222 -0.411 4.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.829 0.936 5.021 1.00 0.00 H new ATOM 571 N GLU A 40 -12.599 0.423 -0.196 1.00 0.00 N ATOM 572 CA GLU A 40 -12.119 0.418 -1.576 1.00 0.00 C ATOM 573 C GLU A 40 -11.251 -0.812 -1.861 1.00 0.00 C ATOM 574 O GLU A 40 -11.450 -1.520 -2.848 1.00 0.00 O ATOM 575 CB GLU A 40 -11.354 1.717 -1.825 1.00 0.00 C ATOM 576 CG GLU A 40 -10.801 1.727 -3.250 1.00 0.00 C ATOM 577 CD GLU A 40 -10.450 3.114 -3.749 1.00 0.00 C ATOM 578 OE1 GLU A 40 -11.101 4.117 -3.379 1.00 0.00 O ATOM 579 OE2 GLU A 40 -9.550 3.158 -4.604 1.00 0.00 O ATOM 0 H GLU A 40 -12.198 1.165 0.377 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.966 0.360 -2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.013 2.572 -1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.539 1.813 -1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.912 1.098 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.537 1.283 -3.921 1.00 0.00 H new ATOM 586 N LEU A 41 -10.288 -1.092 -0.989 1.00 0.00 N ATOM 587 CA LEU A 41 -9.392 -2.234 -1.108 1.00 0.00 C ATOM 588 C LEU A 41 -10.240 -3.502 -1.113 1.00 0.00 C ATOM 589 O LEU A 41 -9.989 -4.407 -1.895 1.00 0.00 O ATOM 590 CB LEU A 41 -8.436 -2.245 0.087 1.00 0.00 C ATOM 591 CG LEU A 41 -7.294 -1.219 0.023 1.00 0.00 C ATOM 592 CD1 LEU A 41 -6.799 -0.906 1.439 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.116 -1.751 -0.802 1.00 0.00 C ATOM 0 H LEU A 41 -10.106 -0.520 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.808 -2.176 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.013 -2.066 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.003 -3.241 0.176 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.681 -0.318 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.989 -0.178 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.619 -0.496 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.436 -1.821 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.324 -1.003 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.736 -2.665 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.450 -1.963 -1.818 1.00 0.00 H new ATOM 605 N ASN A 42 -11.274 -3.570 -0.265 1.00 0.00 N ATOM 606 CA ASN A 42 -12.168 -4.728 -0.183 1.00 0.00 C ATOM 607 C ASN A 42 -12.971 -4.911 -1.480 1.00 0.00 C ATOM 608 O ASN A 42 -13.494 -5.998 -1.714 1.00 0.00 O ATOM 609 CB ASN A 42 -13.101 -4.637 1.039 1.00 0.00 C ATOM 610 CG ASN A 42 -12.443 -5.138 2.323 1.00 0.00 C ATOM 611 OD1 ASN A 42 -12.881 -6.098 2.955 1.00 0.00 O ATOM 612 ND2 ASN A 42 -11.358 -4.527 2.757 1.00 0.00 N ATOM 0 H ASN A 42 -11.513 -2.821 0.384 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.542 -5.611 -0.054 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.413 -3.602 1.176 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.002 -5.219 0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.895 -4.852 3.605 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.982 -3.729 2.244 1.00 0.00 H new ATOM 619 N ARG A 43 -13.120 -3.875 -2.310 1.00 0.00 N ATOM 620 CA ARG A 43 -13.824 -3.936 -3.589 1.00 0.00 C ATOM 621 C ARG A 43 -12.853 -4.519 -4.617 1.00 0.00 C ATOM 622 O ARG A 43 -13.197 -5.444 -5.344 1.00 0.00 O ATOM 623 CB ARG A 43 -14.290 -2.522 -4.012 1.00 0.00 C ATOM 624 CG ARG A 43 -15.778 -2.222 -3.768 1.00 0.00 C ATOM 625 CD ARG A 43 -16.581 -2.084 -5.074 1.00 0.00 C ATOM 626 NE ARG A 43 -16.376 -3.212 -5.994 1.00 0.00 N ATOM 627 CZ ARG A 43 -16.550 -4.514 -5.754 1.00 0.00 C ATOM 628 NH1 ARG A 43 -17.253 -4.942 -4.709 1.00 0.00 N ATOM 629 NH2 ARG A 43 -15.992 -5.387 -6.573 1.00 0.00 N ATOM 0 H ARG A 43 -12.744 -2.949 -2.104 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.713 -4.562 -3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.694 -1.785 -3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.079 -2.390 -5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.210 -3.020 -3.164 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.869 -1.301 -3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.642 -2.004 -4.836 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.296 -1.158 -5.574 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.061 -2.970 -6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.674 -4.270 -4.068 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.371 -5.942 -4.549 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.442 -5.061 -7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.111 -6.387 -6.410 1.00 0.00 H new ATOM 643 N LYS A 44 -11.636 -3.977 -4.680 1.00 0.00 N ATOM 644 CA LYS A 44 -10.572 -4.383 -5.592 1.00 0.00 C ATOM 645 C LYS A 44 -9.851 -5.676 -5.204 1.00 0.00 C ATOM 646 O LYS A 44 -9.039 -6.146 -5.992 1.00 0.00 O ATOM 647 CB LYS A 44 -9.558 -3.230 -5.633 1.00 0.00 C ATOM 648 CG LYS A 44 -10.022 -1.978 -6.396 1.00 0.00 C ATOM 649 CD LYS A 44 -9.890 -2.141 -7.916 1.00 0.00 C ATOM 650 CE LYS A 44 -11.119 -2.745 -8.604 1.00 0.00 C ATOM 651 NZ LYS A 44 -10.770 -3.270 -9.936 1.00 0.00 N ATOM 0 H LYS A 44 -11.355 -3.210 -4.069 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.029 -4.592 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.316 -2.943 -4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.637 -3.593 -6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.061 -1.766 -6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.434 -1.119 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.687 -1.165 -8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.026 -2.771 -8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.528 -3.546 -7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.897 -1.987 -8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.473 -2.947 -10.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.828 -2.924 -10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.763 -4.310 -9.908 1.00 0.00 H new ATOM 665 N LEU A 45 -10.112 -6.268 -4.039 1.00 0.00 N ATOM 666 CA LEU A 45 -9.455 -7.491 -3.579 1.00 0.00 C ATOM 667 C LEU A 45 -10.491 -8.439 -2.992 1.00 0.00 C ATOM 668 O LEU A 45 -11.673 -8.102 -2.870 1.00 0.00 O ATOM 669 CB LEU A 45 -8.381 -7.142 -2.525 1.00 0.00 C ATOM 670 CG LEU A 45 -7.265 -6.205 -3.034 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.485 -5.643 -1.843 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.321 -6.949 -3.985 1.00 0.00 C ATOM 0 H LEU A 45 -10.798 -5.905 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.969 -7.982 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.868 -6.675 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.927 -8.066 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.721 -5.383 -3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.697 -4.982 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.161 -5.083 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.040 -6.463 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.543 -6.269 -4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.863 -7.788 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.885 -7.320 -4.841 1.00 0.00 H new ATOM 684 N SER A 46 -10.072 -9.647 -2.628 1.00 0.00 N ATOM 685 CA SER A 46 -10.937 -10.654 -2.039 1.00 0.00 C ATOM 686 C SER A 46 -10.758 -10.636 -0.529 1.00 0.00 C ATOM 687 O SER A 46 -9.668 -10.364 -0.030 1.00 0.00 O ATOM 688 CB SER A 46 -10.670 -12.015 -2.676 1.00 0.00 C ATOM 689 OG SER A 46 -11.144 -11.964 -4.011 1.00 0.00 O ATOM 0 H SER A 46 -9.106 -9.955 -2.737 1.00 0.00 H new ATOM 0 HA SER A 46 -11.985 -10.434 -2.240 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.605 -12.244 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.176 -12.804 -2.120 1.00 0.00 H new ATOM 0 HG SER A 46 -10.984 -12.826 -4.448 1.00 0.00 H new ATOM 695 N SER A 47 -11.818 -10.970 0.204 1.00 0.00 N ATOM 696 CA SER A 47 -11.843 -10.974 1.658 1.00 0.00 C ATOM 697 C SER A 47 -10.687 -11.727 2.319 1.00 0.00 C ATOM 698 O SER A 47 -10.178 -11.254 3.333 1.00 0.00 O ATOM 699 CB SER A 47 -13.201 -11.480 2.142 1.00 0.00 C ATOM 700 OG SER A 47 -13.497 -12.765 1.624 1.00 0.00 O ATOM 0 H SER A 47 -12.705 -11.252 -0.212 1.00 0.00 H new ATOM 0 HA SER A 47 -11.697 -9.941 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.209 -11.516 3.231 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.979 -10.778 1.841 1.00 0.00 H new ATOM 0 HG SER A 47 -14.372 -13.058 1.955 1.00 0.00 H new ATOM 706 N ASN A 48 -10.265 -12.869 1.765 1.00 0.00 N ATOM 707 CA ASN A 48 -9.166 -13.639 2.342 1.00 0.00 C ATOM 708 C ASN A 48 -7.848 -12.898 2.107 1.00 0.00 C ATOM 709 O ASN A 48 -7.108 -12.653 3.055 1.00 0.00 O ATOM 710 CB ASN A 48 -9.116 -15.068 1.784 1.00 0.00 C ATOM 711 CG ASN A 48 -10.349 -15.893 2.116 1.00 0.00 C ATOM 712 OD1 ASN A 48 -11.161 -16.216 1.248 1.00 0.00 O ATOM 713 ND2 ASN A 48 -10.544 -16.235 3.368 1.00 0.00 N ATOM 0 H ASN A 48 -10.668 -13.276 0.921 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.333 -13.734 3.415 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.000 -15.023 0.701 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.234 -15.573 2.178 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.372 -16.772 3.627 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.868 -15.964 4.082 1.00 0.00 H new ATOM 720 N ALA A 49 -7.561 -12.484 0.868 1.00 0.00 N ATOM 721 CA ALA A 49 -6.331 -11.765 0.542 1.00 0.00 C ATOM 722 C ALA A 49 -6.229 -10.463 1.333 1.00 0.00 C ATOM 723 O ALA A 49 -5.188 -10.150 1.906 1.00 0.00 O ATOM 724 CB ALA A 49 -6.281 -11.455 -0.953 1.00 0.00 C ATOM 0 H ALA A 49 -8.174 -12.639 0.068 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.490 -12.404 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.360 -10.919 -1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.310 -12.386 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.137 -10.838 -1.225 1.00 0.00 H new ATOM 730 N VAL A 50 -7.324 -9.706 1.403 1.00 0.00 N ATOM 731 CA VAL A 50 -7.369 -8.437 2.109 1.00 0.00 C ATOM 732 C VAL A 50 -7.207 -8.626 3.634 1.00 0.00 C ATOM 733 O VAL A 50 -7.012 -7.651 4.362 1.00 0.00 O ATOM 734 CB VAL A 50 -8.607 -7.646 1.636 1.00 0.00 C ATOM 735 CG1 VAL A 50 -9.846 -7.816 2.513 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.287 -6.160 1.527 1.00 0.00 C ATOM 0 H VAL A 50 -8.209 -9.963 0.966 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.510 -7.814 1.858 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.849 -8.069 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.665 -7.224 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.134 -8.867 2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.624 -7.478 3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.173 -5.621 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.979 -5.782 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.480 -6.013 0.809 1.00 0.00 H new ATOM 746 N SER A 51 -7.311 -9.863 4.134 1.00 0.00 N ATOM 747 CA SER A 51 -7.140 -10.220 5.540 1.00 0.00 C ATOM 748 C SER A 51 -5.636 -10.339 5.835 1.00 0.00 C ATOM 749 O SER A 51 -5.217 -10.171 6.978 1.00 0.00 O ATOM 750 CB SER A 51 -7.843 -11.558 5.837 1.00 0.00 C ATOM 751 OG SER A 51 -8.178 -11.698 7.206 1.00 0.00 O ATOM 0 H SER A 51 -7.524 -10.669 3.546 1.00 0.00 H new ATOM 0 HA SER A 51 -7.584 -9.451 6.173 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.748 -11.632 5.235 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.194 -12.381 5.538 1.00 0.00 H new ATOM 0 HG SER A 51 -8.623 -12.560 7.347 1.00 0.00 H new ATOM 757 N GLN A 52 -4.802 -10.617 4.824 1.00 0.00 N ATOM 758 CA GLN A 52 -3.357 -10.748 4.990 1.00 0.00 C ATOM 759 C GLN A 52 -2.697 -9.397 5.293 1.00 0.00 C ATOM 760 O GLN A 52 -1.553 -9.365 5.747 1.00 0.00 O ATOM 761 CB GLN A 52 -2.720 -11.376 3.738 1.00 0.00 C ATOM 762 CG GLN A 52 -3.360 -12.711 3.312 1.00 0.00 C ATOM 763 CD GLN A 52 -2.315 -13.782 3.015 1.00 0.00 C ATOM 764 OE1 GLN A 52 -1.613 -14.223 3.921 1.00 0.00 O ATOM 765 NE2 GLN A 52 -2.199 -14.249 1.787 1.00 0.00 N ATOM 0 H GLN A 52 -5.118 -10.757 3.864 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.187 -11.405 5.843 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.794 -10.669 2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.658 -11.537 3.925 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.024 -13.062 4.102 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.975 -12.551 2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.787 -13.876 1.042 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.521 -14.983 1.583 1.00 0.00 H new ATOM 774 N ILE A 53 -3.396 -8.292 5.031 1.00 0.00 N ATOM 775 CA ILE A 53 -2.918 -6.941 5.256 1.00 0.00 C ATOM 776 C ILE A 53 -3.022 -6.619 6.754 1.00 0.00 C ATOM 777 O ILE A 53 -4.080 -6.810 7.364 1.00 0.00 O ATOM 778 CB ILE A 53 -3.739 -5.960 4.382 1.00 0.00 C ATOM 779 CG1 ILE A 53 -3.585 -6.245 2.867 1.00 0.00 C ATOM 780 CG2 ILE A 53 -3.283 -4.528 4.690 1.00 0.00 C ATOM 781 CD1 ILE A 53 -4.646 -5.574 1.989 1.00 0.00 C ATOM 0 H ILE A 53 -4.339 -8.321 4.644 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.872 -6.841 4.967 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.793 -6.092 4.624 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.599 -5.911 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.625 -7.322 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.853 -3.826 4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.450 -4.312 5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.222 -4.427 4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.465 -5.825 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.635 -5.926 2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.593 -4.493 2.117 1.00 0.00 H new ATOM 793 N THR A 54 -1.948 -6.088 7.340 1.00 0.00 N ATOM 794 CA THR A 54 -1.891 -5.710 8.745 1.00 0.00 C ATOM 795 C THR A 54 -1.287 -4.307 8.890 1.00 0.00 C ATOM 796 O THR A 54 -0.726 -3.744 7.946 1.00 0.00 O ATOM 797 CB THR A 54 -1.181 -6.808 9.567 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.341 -6.549 10.950 1.00 0.00 O ATOM 799 CG2 THR A 54 0.312 -6.965 9.275 1.00 0.00 C ATOM 0 H THR A 54 -1.079 -5.907 6.838 1.00 0.00 H new ATOM 0 HA THR A 54 -2.896 -5.641 9.162 1.00 0.00 H new ATOM 0 HB THR A 54 -1.657 -7.742 9.268 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.891 -7.249 11.468 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.723 -7.758 9.899 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.452 -7.220 8.225 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.826 -6.029 9.493 1.00 0.00 H new ATOM 807 N ARG A 55 -1.413 -3.752 10.099 1.00 0.00 N ATOM 808 CA ARG A 55 -0.932 -2.447 10.531 1.00 0.00 C ATOM 809 C ARG A 55 -1.243 -1.312 9.552 1.00 0.00 C ATOM 810 O ARG A 55 -0.346 -0.549 9.186 1.00 0.00 O ATOM 811 CB ARG A 55 0.540 -2.561 10.974 1.00 0.00 C ATOM 812 CG ARG A 55 0.659 -3.398 12.269 1.00 0.00 C ATOM 813 CD ARG A 55 1.982 -3.207 13.030 1.00 0.00 C ATOM 814 NE ARG A 55 2.237 -1.795 13.376 1.00 0.00 N ATOM 815 CZ ARG A 55 1.549 -1.044 14.248 1.00 0.00 C ATOM 816 NH1 ARG A 55 0.642 -1.593 15.050 1.00 0.00 N ATOM 817 NH2 ARG A 55 1.759 0.265 14.316 1.00 0.00 N ATOM 0 H ARG A 55 -1.890 -4.244 10.854 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.502 -2.138 11.408 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.129 -3.023 10.181 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.953 -1.566 11.139 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.167 -3.140 12.931 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.548 -4.453 12.017 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.962 -3.803 13.942 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.805 -3.583 12.422 1.00 0.00 H new ATOM 0 HE ARG A 55 3.019 -1.343 12.902 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.463 -2.596 15.006 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.125 -1.011 15.709 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.446 0.704 13.703 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.233 0.832 14.981 1.00 0.00 H new ATOM 831 N MET A 56 -2.501 -1.198 9.102 1.00 0.00 N ATOM 832 CA MET A 56 -2.870 -0.108 8.202 1.00 0.00 C ATOM 833 C MET A 56 -2.968 1.163 9.041 1.00 0.00 C ATOM 834 O MET A 56 -3.905 1.291 9.838 1.00 0.00 O ATOM 835 CB MET A 56 -4.180 -0.333 7.426 1.00 0.00 C ATOM 836 CG MET A 56 -4.315 0.781 6.368 1.00 0.00 C ATOM 837 SD MET A 56 -5.973 1.071 5.699 1.00 0.00 S ATOM 838 CE MET A 56 -6.211 -0.448 4.760 1.00 0.00 C ATOM 0 H MET A 56 -3.261 -1.834 9.342 1.00 0.00 H new ATOM 0 HA MET A 56 -2.100 -0.039 7.433 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.174 -1.312 6.947 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.032 -0.316 8.106 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.958 1.712 6.807 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.650 0.544 5.538 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.243 -0.504 4.415 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.540 -0.453 3.901 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.993 -1.306 5.395 1.00 0.00 H new ATOM 848 N CYS A 57 -2.029 2.085 8.852 1.00 0.00 N ATOM 849 CA CYS A 57 -1.980 3.351 9.562 1.00 0.00 C ATOM 850 C CYS A 57 -2.051 4.504 8.561 1.00 0.00 C ATOM 851 O CYS A 57 -1.721 4.353 7.381 1.00 0.00 O ATOM 852 CB CYS A 57 -0.685 3.432 10.382 1.00 0.00 C ATOM 853 SG CYS A 57 -0.642 2.150 11.671 1.00 0.00 S ATOM 0 H CYS A 57 -1.266 1.967 8.186 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.830 3.423 10.241 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.175 3.317 9.722 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.604 4.417 10.842 1.00 0.00 H new ATOM 0 HG CYS A 57 0.467 2.247 12.343 1.00 0.00 H new ATOM 859 N LEU A 58 -2.500 5.662 9.048 1.00 0.00 N ATOM 860 CA LEU A 58 -2.613 6.867 8.241 1.00 0.00 C ATOM 861 C LEU A 58 -1.223 7.471 8.051 1.00 0.00 C ATOM 862 O LEU A 58 -0.367 7.416 8.945 1.00 0.00 O ATOM 863 CB LEU A 58 -3.523 7.919 8.908 1.00 0.00 C ATOM 864 CG LEU A 58 -5.035 7.644 8.905 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.796 8.865 9.430 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.604 7.367 7.521 1.00 0.00 C ATOM 0 H LEU A 58 -2.795 5.786 10.017 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.054 6.591 7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.203 8.034 9.944 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.353 8.875 8.413 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.161 6.762 9.532 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.866 8.658 9.423 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.475 9.083 10.449 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.589 9.725 8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.675 7.182 7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.430 8.229 6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.115 6.491 7.095 1.00 0.00 H new ATOM 878 N LEU A 59 -0.987 7.997 6.856 1.00 0.00 N ATOM 879 CA LEU A 59 0.235 8.664 6.439 1.00 0.00 C ATOM 880 C LEU A 59 0.063 10.151 6.730 1.00 0.00 C ATOM 881 O LEU A 59 -1.006 10.627 7.113 1.00 0.00 O ATOM 882 CB LEU A 59 0.509 8.452 4.937 1.00 0.00 C ATOM 883 CG LEU A 59 1.030 7.048 4.598 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.220 6.897 3.088 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.378 6.776 5.276 1.00 0.00 C ATOM 0 H LEU A 59 -1.684 7.967 6.112 1.00 0.00 H new ATOM 0 HA LEU A 59 1.084 8.250 6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.410 8.633 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.237 9.191 4.601 1.00 0.00 H new ATOM 0 HG LEU A 59 0.289 6.336 4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.590 5.896 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.266 7.051 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.940 7.636 2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.720 5.774 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.110 7.509 4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.263 6.851 6.357 1.00 0.00 H new ATOM 897 N LYS A 60 1.158 10.895 6.656 1.00 0.00 N ATOM 898 CA LYS A 60 1.136 12.332 6.889 1.00 0.00 C ATOM 899 C LYS A 60 0.396 12.978 5.714 1.00 0.00 C ATOM 900 O LYS A 60 0.234 12.359 4.664 1.00 0.00 O ATOM 901 CB LYS A 60 2.575 12.819 7.062 1.00 0.00 C ATOM 902 CG LYS A 60 3.168 12.216 8.346 1.00 0.00 C ATOM 903 CD LYS A 60 4.656 12.530 8.489 1.00 0.00 C ATOM 904 CE LYS A 60 5.282 11.778 9.666 1.00 0.00 C ATOM 905 NZ LYS A 60 4.610 12.059 10.950 1.00 0.00 N ATOM 0 H LYS A 60 2.081 10.522 6.434 1.00 0.00 H new ATOM 0 HA LYS A 60 0.606 12.608 7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.175 12.528 6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.598 13.908 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.630 12.604 9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.024 11.136 8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.175 12.262 7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.790 13.603 8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.243 10.707 9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.335 12.049 9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.146 11.619 11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.564 13.087 11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.646 11.669 10.930 1.00 0.00 H new ATOM 919 N GLY A 61 -0.108 14.196 5.901 1.00 0.00 N ATOM 920 CA GLY A 61 -0.847 14.933 4.883 1.00 0.00 C ATOM 921 C GLY A 61 -2.185 14.290 4.490 1.00 0.00 C ATOM 922 O GLY A 61 -2.919 14.885 3.709 1.00 0.00 O ATOM 0 H GLY A 61 -0.012 14.705 6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.035 15.944 5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.225 15.024 3.993 1.00 0.00 H new ATOM 926 N ASN A 62 -2.542 13.113 5.024 1.00 0.00 N ATOM 927 CA ASN A 62 -3.764 12.359 4.745 1.00 0.00 C ATOM 928 C ASN A 62 -3.955 12.018 3.254 1.00 0.00 C ATOM 929 O ASN A 62 -5.052 11.618 2.863 1.00 0.00 O ATOM 930 CB ASN A 62 -4.982 13.044 5.406 1.00 0.00 C ATOM 931 CG ASN A 62 -5.066 12.782 6.903 1.00 0.00 C ATOM 932 OD1 ASN A 62 -4.133 12.308 7.535 1.00 0.00 O ATOM 933 ND2 ASN A 62 -6.204 13.034 7.521 1.00 0.00 N ATOM 0 H ASN A 62 -1.947 12.637 5.702 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.662 11.378 5.209 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.927 14.119 5.232 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.896 12.690 4.928 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.299 12.833 8.517 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.989 13.429 7.003 1.00 0.00 H new ATOM 940 N MET A 63 -2.891 12.104 2.445 1.00 0.00 N ATOM 941 CA MET A 63 -2.833 11.848 0.999 1.00 0.00 C ATOM 942 C MET A 63 -2.573 10.373 0.617 1.00 0.00 C ATOM 943 O MET A 63 -2.097 10.095 -0.492 1.00 0.00 O ATOM 944 CB MET A 63 -1.731 12.760 0.414 1.00 0.00 C ATOM 945 CG MET A 63 -2.078 14.253 0.410 1.00 0.00 C ATOM 946 SD MET A 63 -3.512 14.745 -0.590 1.00 0.00 S ATOM 947 CE MET A 63 -2.959 14.201 -2.229 1.00 0.00 C ATOM 0 H MET A 63 -1.979 12.375 2.812 1.00 0.00 H new ATOM 0 HA MET A 63 -3.815 12.070 0.581 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.815 12.614 0.986 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.522 12.446 -0.609 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.256 14.565 1.439 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.208 14.805 0.055 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.410 14.833 -2.994 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.873 14.276 -2.290 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.261 13.166 -2.390 1.00 0.00 H new ATOM 957 N GLY A 64 -2.797 9.407 1.510 1.00 0.00 N ATOM 958 CA GLY A 64 -2.570 7.992 1.219 1.00 0.00 C ATOM 959 C GLY A 64 -2.498 7.177 2.503 1.00 0.00 C ATOM 960 O GLY A 64 -2.713 7.720 3.584 1.00 0.00 O ATOM 0 H GLY A 64 -3.140 9.584 2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.374 7.613 0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.643 7.876 0.658 1.00 0.00 H new ATOM 964 N VAL A 65 -2.217 5.879 2.411 1.00 0.00 N ATOM 965 CA VAL A 65 -2.105 4.970 3.550 1.00 0.00 C ATOM 966 C VAL A 65 -0.938 4.006 3.324 1.00 0.00 C ATOM 967 O VAL A 65 -0.410 3.896 2.215 1.00 0.00 O ATOM 968 CB VAL A 65 -3.433 4.210 3.791 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.569 5.157 4.198 1.00 0.00 C ATOM 970 CG2 VAL A 65 -3.898 3.377 2.584 1.00 0.00 C ATOM 0 H VAL A 65 -2.056 5.417 1.516 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.905 5.552 4.450 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.208 3.524 4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.482 4.583 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.300 5.673 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.734 5.889 3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.834 2.874 2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.051 4.033 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.139 2.633 2.341 1.00 0.00 H new ATOM 980 N CYS A 66 -0.532 3.297 4.377 1.00 0.00 N ATOM 981 CA CYS A 66 0.544 2.318 4.334 1.00 0.00 C ATOM 982 C CYS A 66 0.119 1.102 5.152 1.00 0.00 C ATOM 983 O CYS A 66 -0.687 1.240 6.076 1.00 0.00 O ATOM 984 CB CYS A 66 1.840 2.926 4.875 1.00 0.00 C ATOM 985 SG CYS A 66 1.603 3.600 6.547 1.00 0.00 S ATOM 0 H CYS A 66 -0.953 3.392 5.301 1.00 0.00 H new ATOM 0 HA CYS A 66 0.735 2.012 3.305 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.621 2.166 4.894 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.181 3.717 4.206 1.00 0.00 H new ATOM 0 HG CYS A 66 0.341 3.842 6.743 1.00 0.00 H new ATOM 991 N PHE A 67 0.635 -0.080 4.818 1.00 0.00 N ATOM 992 CA PHE A 67 0.335 -1.322 5.516 1.00 0.00 C ATOM 993 C PHE A 67 1.411 -2.368 5.213 1.00 0.00 C ATOM 994 O PHE A 67 2.172 -2.223 4.255 1.00 0.00 O ATOM 995 CB PHE A 67 -1.078 -1.817 5.162 1.00 0.00 C ATOM 996 CG PHE A 67 -1.448 -1.941 3.691 1.00 0.00 C ATOM 997 CD1 PHE A 67 -0.849 -2.919 2.876 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.467 -1.131 3.152 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.256 -3.078 1.540 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -2.877 -1.291 1.817 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.266 -2.263 1.008 1.00 0.00 C ATOM 0 H PHE A 67 1.284 -0.200 4.041 1.00 0.00 H new ATOM 0 HA PHE A 67 0.346 -1.142 6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.214 -2.795 5.623 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.794 -1.142 5.630 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.072 -3.551 3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.937 -0.380 3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.789 -3.830 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.661 -0.667 1.414 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.573 -2.383 -0.021 1.00 0.00 H new ATOM 1011 N ASP A 68 1.448 -3.428 6.016 1.00 0.00 N ATOM 1012 CA ASP A 68 2.382 -4.552 5.941 1.00 0.00 C ATOM 1013 C ASP A 68 1.652 -5.756 5.328 1.00 0.00 C ATOM 1014 O ASP A 68 0.476 -5.978 5.640 1.00 0.00 O ATOM 1015 CB ASP A 68 2.833 -4.929 7.366 1.00 0.00 C ATOM 1016 CG ASP A 68 3.825 -3.978 8.050 1.00 0.00 C ATOM 1017 OD1 ASP A 68 3.501 -2.786 8.280 1.00 0.00 O ATOM 1018 OD2 ASP A 68 4.890 -4.458 8.504 1.00 0.00 O ATOM 0 H ASP A 68 0.786 -3.533 6.785 1.00 0.00 H new ATOM 0 HA ASP A 68 3.245 -4.278 5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.946 -5.005 7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.283 -5.921 7.329 1.00 0.00 H new ATOM 1023 N VAL A 69 2.328 -6.549 4.486 1.00 0.00 N ATOM 1024 CA VAL A 69 1.798 -7.737 3.807 1.00 0.00 C ATOM 1025 C VAL A 69 2.866 -8.827 3.623 1.00 0.00 C ATOM 1026 O VAL A 69 4.062 -8.527 3.568 1.00 0.00 O ATOM 1027 CB VAL A 69 1.218 -7.377 2.414 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.139 -6.690 2.528 1.00 0.00 C ATOM 1029 CG2 VAL A 69 2.141 -6.488 1.569 1.00 0.00 C ATOM 0 H VAL A 69 3.304 -6.371 4.249 1.00 0.00 H new ATOM 0 HA VAL A 69 1.007 -8.123 4.450 1.00 0.00 H new ATOM 0 HB VAL A 69 1.115 -8.336 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.512 -6.454 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.842 -7.354 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.034 -5.770 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.667 -6.279 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.325 -5.551 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.088 -7.002 1.402 1.00 0.00 H new ATOM 1039 N PRO A 70 2.472 -10.110 3.504 1.00 0.00 N ATOM 1040 CA PRO A 70 3.430 -11.179 3.284 1.00 0.00 C ATOM 1041 C PRO A 70 3.934 -11.080 1.839 1.00 0.00 C ATOM 1042 O PRO A 70 3.211 -10.660 0.929 1.00 0.00 O ATOM 1043 CB PRO A 70 2.663 -12.472 3.558 1.00 0.00 C ATOM 1044 CG PRO A 70 1.226 -12.119 3.189 1.00 0.00 C ATOM 1045 CD PRO A 70 1.115 -10.639 3.562 1.00 0.00 C ATOM 0 HA PRO A 70 4.308 -11.131 3.928 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.041 -13.298 2.955 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.747 -12.775 4.602 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.032 -12.281 2.129 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.509 -12.727 3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.460 -10.110 2.870 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.691 -10.518 4.559 1.00 0.00 H new ATOM 1053 N THR A 71 5.171 -11.509 1.597 1.00 0.00 N ATOM 1054 CA THR A 71 5.801 -11.467 0.281 1.00 0.00 C ATOM 1055 C THR A 71 5.038 -12.280 -0.780 1.00 0.00 C ATOM 1056 O THR A 71 5.131 -11.984 -1.972 1.00 0.00 O ATOM 1057 CB THR A 71 7.265 -11.923 0.426 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.336 -13.226 0.982 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.081 -10.992 1.329 1.00 0.00 C ATOM 0 H THR A 71 5.772 -11.901 2.322 1.00 0.00 H new ATOM 0 HA THR A 71 5.773 -10.441 -0.087 1.00 0.00 H new ATOM 0 HB THR A 71 7.683 -11.906 -0.581 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.274 -13.496 1.064 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.105 -11.358 1.398 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.082 -9.986 0.908 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.636 -10.968 2.324 1.00 0.00 H new ATOM 1067 N THR A 72 4.288 -13.302 -0.380 1.00 0.00 N ATOM 1068 CA THR A 72 3.503 -14.169 -1.252 1.00 0.00 C ATOM 1069 C THR A 72 2.332 -13.387 -1.851 1.00 0.00 C ATOM 1070 O THR A 72 2.245 -13.227 -3.068 1.00 0.00 O ATOM 1071 CB THR A 72 3.013 -15.410 -0.470 1.00 0.00 C ATOM 1072 OG1 THR A 72 2.820 -15.134 0.915 1.00 0.00 O ATOM 1073 CG2 THR A 72 3.998 -16.576 -0.576 1.00 0.00 C ATOM 0 H THR A 72 4.207 -13.560 0.604 1.00 0.00 H new ATOM 0 HA THR A 72 4.130 -14.518 -2.072 1.00 0.00 H new ATOM 0 HB THR A 72 2.061 -15.680 -0.928 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.509 -15.944 1.370 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.616 -17.427 -0.013 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.118 -16.857 -1.622 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.963 -16.275 -0.169 1.00 0.00 H new ATOM 1081 N GLU A 73 1.454 -12.849 -1.000 1.00 0.00 N ATOM 1082 CA GLU A 73 0.285 -12.091 -1.435 1.00 0.00 C ATOM 1083 C GLU A 73 0.712 -10.828 -2.183 1.00 0.00 C ATOM 1084 O GLU A 73 0.005 -10.407 -3.095 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.614 -11.790 -0.222 1.00 0.00 C ATOM 1086 CG GLU A 73 -2.084 -11.472 -0.548 1.00 0.00 C ATOM 1087 CD GLU A 73 -2.841 -12.643 -1.184 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -2.738 -12.820 -2.415 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -3.554 -13.404 -0.486 1.00 0.00 O ATOM 0 H GLU A 73 1.537 -12.929 0.013 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.300 -12.683 -2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.587 -12.648 0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.190 -10.946 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.594 -11.176 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.120 -10.617 -1.224 1.00 0.00 H new ATOM 1096 N SER A 74 1.879 -10.253 -1.860 1.00 0.00 N ATOM 1097 CA SER A 74 2.400 -9.057 -2.513 1.00 0.00 C ATOM 1098 C SER A 74 2.464 -9.253 -4.040 1.00 0.00 C ATOM 1099 O SER A 74 2.117 -8.346 -4.798 1.00 0.00 O ATOM 1100 CB SER A 74 3.764 -8.697 -1.894 1.00 0.00 C ATOM 1101 OG SER A 74 4.243 -7.464 -2.383 1.00 0.00 O ATOM 0 H SER A 74 2.491 -10.614 -1.128 1.00 0.00 H new ATOM 0 HA SER A 74 1.728 -8.215 -2.346 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.671 -8.648 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.485 -9.483 -2.117 1.00 0.00 H new ATOM 0 HG SER A 74 5.109 -7.263 -1.971 1.00 0.00 H new ATOM 1107 N GLU A 75 2.884 -10.431 -4.516 1.00 0.00 N ATOM 1108 CA GLU A 75 2.978 -10.738 -5.946 1.00 0.00 C ATOM 1109 C GLU A 75 1.600 -10.819 -6.614 1.00 0.00 C ATOM 1110 O GLU A 75 1.529 -10.707 -7.836 1.00 0.00 O ATOM 1111 CB GLU A 75 3.760 -12.051 -6.185 1.00 0.00 C ATOM 1112 CG GLU A 75 5.251 -11.866 -5.860 1.00 0.00 C ATOM 1113 CD GLU A 75 6.124 -13.067 -6.272 1.00 0.00 C ATOM 1114 OE1 GLU A 75 6.427 -13.280 -7.466 1.00 0.00 O ATOM 1115 OE2 GLU A 75 6.687 -13.759 -5.388 1.00 0.00 O ATOM 0 H GLU A 75 3.170 -11.203 -3.914 1.00 0.00 H new ATOM 0 HA GLU A 75 3.523 -9.913 -6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.344 -12.845 -5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.646 -12.364 -7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.616 -10.972 -6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.363 -11.696 -4.789 1.00 0.00 H new ATOM 1122 N ARG A 76 0.513 -11.047 -5.869 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.834 -11.112 -6.440 1.00 0.00 C ATOM 1124 C ARG A 76 -1.504 -9.751 -6.344 1.00 0.00 C ATOM 1125 O ARG A 76 -2.162 -9.324 -7.287 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.695 -12.179 -5.758 1.00 0.00 C ATOM 1127 CG ARG A 76 -1.141 -13.597 -5.972 1.00 0.00 C ATOM 1128 CD ARG A 76 -2.234 -14.658 -5.814 1.00 0.00 C ATOM 1129 NE ARG A 76 -2.786 -14.669 -4.455 1.00 0.00 N ATOM 1130 CZ ARG A 76 -3.792 -15.425 -4.018 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -4.272 -16.409 -4.765 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -4.316 -15.175 -2.829 1.00 0.00 N ATOM 0 H ARG A 76 0.543 -11.191 -4.860 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.737 -11.395 -7.488 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.751 -11.970 -4.690 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.712 -12.126 -6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.702 -13.671 -6.967 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.341 -13.788 -5.256 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.033 -14.467 -6.530 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.824 -15.640 -6.049 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.358 -14.036 -3.779 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.871 -16.594 -5.684 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.043 -16.982 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.949 -14.412 -2.260 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.087 -15.745 -2.481 1.00 0.00 H new ATOM 1146 N LEU A 77 -1.301 -9.031 -5.240 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.861 -7.709 -5.003 1.00 0.00 C ATOM 1148 C LEU A 77 -1.466 -6.786 -6.155 1.00 0.00 C ATOM 1149 O LEU A 77 -2.315 -6.057 -6.667 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.357 -7.158 -3.657 1.00 0.00 C ATOM 1151 CG LEU A 77 -2.093 -7.748 -2.437 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.233 -7.831 -1.174 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.277 -6.853 -2.069 1.00 0.00 C ATOM 0 H LEU A 77 -0.726 -9.365 -4.467 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.948 -7.769 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.291 -7.366 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.471 -6.074 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.385 -8.754 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.821 -8.256 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.367 -8.464 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.898 -6.832 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.796 -7.272 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.916 -5.854 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.965 -6.794 -2.913 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.212 -6.883 -6.600 1.00 0.00 N ATOM 1166 CA GLN A 78 0.356 -6.106 -7.690 1.00 0.00 C ATOM 1167 C GLN A 78 -0.378 -6.363 -9.014 1.00 0.00 C ATOM 1168 O GLN A 78 -0.465 -5.463 -9.852 1.00 0.00 O ATOM 1169 CB GLN A 78 1.859 -6.437 -7.768 1.00 0.00 C ATOM 1170 CG GLN A 78 2.586 -5.667 -6.652 1.00 0.00 C ATOM 1171 CD GLN A 78 4.082 -5.986 -6.596 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.914 -5.258 -7.133 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.459 -6.989 -5.820 1.00 0.00 N ATOM 0 H GLN A 78 0.459 -7.533 -6.190 1.00 0.00 H new ATOM 0 HA GLN A 78 0.232 -5.040 -7.500 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.017 -7.509 -7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.258 -6.158 -8.743 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.452 -4.596 -6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.130 -5.909 -5.692 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.758 -7.585 -5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.451 -7.166 -5.661 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.932 -7.564 -9.204 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.657 -7.930 -10.416 1.00 0.00 C ATOM 1184 C ALA A 79 -3.145 -7.579 -10.309 1.00 0.00 C ATOM 1185 O ALA A 79 -3.768 -7.208 -11.308 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.497 -9.437 -10.656 1.00 0.00 C ATOM 0 H ALA A 79 -0.887 -8.313 -8.513 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.242 -7.366 -11.251 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.036 -9.721 -11.560 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.440 -9.677 -10.773 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.901 -9.986 -9.806 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.716 -7.698 -9.111 1.00 0.00 N ATOM 1193 CA GLU A 80 -5.123 -7.417 -8.853 1.00 0.00 C ATOM 1194 C GLU A 80 -5.414 -5.918 -8.849 1.00 0.00 C ATOM 1195 O GLU A 80 -6.555 -5.522 -9.092 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.539 -8.060 -7.522 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.537 -9.591 -7.621 1.00 0.00 C ATOM 1198 CD GLU A 80 -6.031 -10.236 -6.332 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -5.295 -10.267 -5.316 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -7.185 -10.734 -6.320 1.00 0.00 O ATOM 0 H GLU A 80 -3.204 -7.997 -8.281 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.712 -7.850 -9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.857 -7.743 -6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.533 -7.712 -7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.170 -9.904 -8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.528 -9.941 -7.841 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.413 -5.071 -8.583 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.616 -3.632 -8.573 1.00 0.00 C ATOM 1209 C TRP A 81 -4.717 -3.156 -10.016 1.00 0.00 C ATOM 1210 O TRP A 81 -3.718 -3.119 -10.741 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.508 -2.895 -7.813 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.020 -1.632 -7.187 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.710 -0.366 -7.540 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.035 -1.513 -6.152 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.463 0.524 -6.794 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.326 -0.134 -5.937 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.758 -2.457 -5.397 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.320 0.280 -5.028 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.716 -2.054 -4.457 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -7.012 -0.691 -4.283 1.00 0.00 C ATOM 0 H TRP A 81 -3.459 -5.364 -8.373 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.540 -3.404 -8.041 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.100 -3.546 -7.040 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.691 -2.659 -8.495 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.984 -0.090 -8.291 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.390 1.539 -6.867 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.571 -3.510 -5.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.547 1.329 -4.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.230 -2.795 -3.863 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.771 -0.389 -3.577 1.00 0.00 H new ATOM 1231 N HIS A 82 -5.936 -2.880 -10.465 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.222 -2.401 -11.799 1.00 0.00 C ATOM 1233 C HIS A 82 -7.594 -1.734 -11.743 1.00 0.00 C ATOM 1234 O HIS A 82 -8.421 -2.102 -10.902 1.00 0.00 O ATOM 1235 CB HIS A 82 -6.218 -3.596 -12.763 1.00 0.00 C ATOM 1236 CG HIS A 82 -6.195 -3.211 -14.216 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -7.109 -3.598 -15.166 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -5.240 -2.449 -14.830 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -6.732 -3.049 -16.331 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -5.590 -2.349 -16.182 1.00 0.00 N ATOM 0 H HIS A 82 -6.771 -2.989 -9.890 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.479 -1.685 -12.152 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.349 -4.219 -12.549 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.102 -4.205 -12.573 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.375 -2.006 -14.359 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.270 -3.154 -17.261 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.082 -1.846 -16.910 1.00 0.00 H new ATOM 1248 N ASP A 83 -7.897 -0.852 -12.700 1.00 0.00 N ATOM 1249 CA ASP A 83 -9.172 -0.128 -12.764 1.00 0.00 C ATOM 1250 C ASP A 83 -9.465 0.597 -11.432 1.00 0.00 C ATOM 1251 O ASP A 83 -10.611 0.712 -10.984 1.00 0.00 O ATOM 1252 CB ASP A 83 -10.260 -1.096 -13.251 1.00 0.00 C ATOM 1253 CG ASP A 83 -11.629 -0.468 -13.484 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -11.743 0.733 -13.815 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -12.618 -1.235 -13.405 1.00 0.00 O ATOM 0 H ASP A 83 -7.258 -0.618 -13.460 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.136 0.682 -13.493 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.925 -1.555 -14.181 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.365 -1.897 -12.520 1.00 0.00 H new ATOM 1260 N SER A 84 -8.400 1.102 -10.800 1.00 0.00 N ATOM 1261 CA SER A 84 -8.373 1.822 -9.540 1.00 0.00 C ATOM 1262 C SER A 84 -7.591 3.121 -9.755 1.00 0.00 C ATOM 1263 O SER A 84 -6.507 3.091 -10.344 1.00 0.00 O ATOM 1264 CB SER A 84 -7.750 0.957 -8.419 1.00 0.00 C ATOM 1265 OG SER A 84 -7.068 -0.204 -8.879 1.00 0.00 O ATOM 0 H SER A 84 -7.465 1.005 -11.195 1.00 0.00 H new ATOM 0 HA SER A 84 -9.388 2.057 -9.218 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.052 1.571 -7.849 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.539 0.651 -7.733 1.00 0.00 H new ATOM 0 HG SER A 84 -6.428 -0.499 -8.198 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.105 4.262 -9.299 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.492 5.584 -9.432 1.00 0.00 C ATOM 1273 C ASP A 85 -6.445 5.898 -8.353 1.00 0.00 C ATOM 1274 O ASP A 85 -5.953 7.022 -8.271 1.00 0.00 O ATOM 1275 CB ASP A 85 -8.577 6.672 -9.480 1.00 0.00 C ATOM 1276 CG ASP A 85 -8.195 7.874 -10.353 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -7.140 7.864 -11.029 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -9.077 8.742 -10.543 1.00 0.00 O ATOM 0 H ASP A 85 -8.997 4.293 -8.806 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.944 5.573 -10.374 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.502 6.236 -9.859 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.779 7.018 -8.466 1.00 0.00 H new ATOM 1283 N TRP A 86 -6.154 4.959 -7.447 1.00 0.00 N ATOM 1284 CA TRP A 86 -5.134 5.150 -6.406 1.00 0.00 C ATOM 1285 C TRP A 86 -3.883 4.432 -6.899 1.00 0.00 C ATOM 1286 O TRP A 86 -3.991 3.366 -7.520 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.541 4.576 -5.050 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.618 5.271 -4.277 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -7.887 5.430 -4.705 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -6.637 5.627 -2.858 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.695 5.778 -3.650 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -7.994 5.813 -2.467 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -5.668 5.704 -1.835 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.386 5.948 -1.127 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -6.042 5.861 -0.488 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -7.398 5.941 -0.131 1.00 0.00 C ATOM 0 H TRP A 86 -6.615 4.050 -7.413 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.981 6.218 -6.249 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.858 3.545 -5.208 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.650 4.543 -4.423 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.218 5.303 -5.725 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.690 5.985 -3.733 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -4.621 5.641 -2.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -9.429 6.055 -0.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.282 5.920 0.277 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -7.680 5.997 0.910 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.709 5.007 -6.663 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.432 4.451 -7.085 1.00 0.00 C ATOM 1309 C ILE A 87 -0.931 3.544 -5.957 1.00 0.00 C ATOM 1310 O ILE A 87 -1.010 3.922 -4.789 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.436 5.587 -7.432 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -1.042 6.692 -8.338 1.00 0.00 C ATOM 1313 CG2 ILE A 87 0.781 4.983 -8.155 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -1.647 7.877 -7.567 1.00 0.00 C ATOM 0 H ILE A 87 -2.618 5.891 -6.162 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.536 3.859 -7.994 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.160 6.057 -6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.265 7.066 -9.005 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.815 6.248 -8.965 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.487 5.775 -8.403 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.266 4.255 -7.505 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.453 4.490 -9.070 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.048 8.604 -8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.448 7.519 -6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.874 8.349 -6.960 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.425 2.354 -6.289 1.00 0.00 N ATOM 1327 CA LEU A 88 0.094 1.361 -5.347 1.00 0.00 C ATOM 1328 C LEU A 88 1.590 1.180 -5.591 1.00 0.00 C ATOM 1329 O LEU A 88 2.040 1.182 -6.744 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.698 0.058 -5.533 1.00 0.00 C ATOM 1331 CG LEU A 88 -0.399 -1.120 -4.576 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.436 -0.776 -3.083 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -1.496 -2.159 -4.827 1.00 0.00 C ATOM 0 H LEU A 88 -0.363 2.044 -7.259 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.029 1.684 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.758 0.297 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.532 -0.290 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 88 0.617 -1.455 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.213 -1.669 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.306 -0.007 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.427 -0.407 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.338 -3.019 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.470 -1.718 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.462 -2.480 -5.868 1.00 0.00 H new ATOM 1345 N SER A 89 2.376 1.122 -4.518 1.00 0.00 N ATOM 1346 CA SER A 89 3.816 0.941 -4.572 1.00 0.00 C ATOM 1347 C SER A 89 4.296 -0.013 -3.477 1.00 0.00 C ATOM 1348 O SER A 89 3.618 -0.150 -2.457 1.00 0.00 O ATOM 1349 CB SER A 89 4.488 2.312 -4.525 1.00 0.00 C ATOM 1350 OG SER A 89 4.070 3.071 -3.400 1.00 0.00 O ATOM 0 H SER A 89 2.016 1.202 -3.567 1.00 0.00 H new ATOM 0 HA SER A 89 4.101 0.464 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.570 2.184 -4.495 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.257 2.860 -5.438 1.00 0.00 H new ATOM 0 HG SER A 89 4.523 3.940 -3.405 1.00 0.00 H new ATOM 1356 N VAL A 90 5.488 -0.587 -3.660 1.00 0.00 N ATOM 1357 CA VAL A 90 6.113 -1.535 -2.739 1.00 0.00 C ATOM 1358 C VAL A 90 7.538 -1.054 -2.398 1.00 0.00 C ATOM 1359 O VAL A 90 8.502 -1.431 -3.070 1.00 0.00 O ATOM 1360 CB VAL A 90 5.963 -2.967 -3.309 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.665 -3.246 -4.643 1.00 0.00 C ATOM 1362 CG2 VAL A 90 6.364 -4.042 -2.295 1.00 0.00 C ATOM 0 H VAL A 90 6.062 -0.397 -4.481 1.00 0.00 H new ATOM 0 HA VAL A 90 5.615 -1.579 -1.771 1.00 0.00 H new ATOM 0 HB VAL A 90 4.895 -3.020 -3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.487 -4.280 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.271 -2.577 -5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.736 -3.079 -4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.241 -5.028 -2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.406 -3.901 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.731 -3.963 -1.411 1.00 0.00 H new ATOM 1372 N PRO A 91 7.703 -0.179 -1.388 1.00 0.00 N ATOM 1373 CA PRO A 91 9.008 0.351 -0.997 1.00 0.00 C ATOM 1374 C PRO A 91 9.926 -0.661 -0.295 1.00 0.00 C ATOM 1375 O PRO A 91 9.487 -1.707 0.177 1.00 0.00 O ATOM 1376 CB PRO A 91 8.696 1.540 -0.078 1.00 0.00 C ATOM 1377 CG PRO A 91 7.340 1.183 0.536 1.00 0.00 C ATOM 1378 CD PRO A 91 6.649 0.353 -0.536 1.00 0.00 C ATOM 0 HA PRO A 91 9.571 0.630 -1.888 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.461 1.665 0.688 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.648 2.475 -0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.458 0.619 1.461 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.766 2.077 0.779 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.068 -0.453 -0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 91 5.955 0.964 -1.113 1.00 0.00 H new