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 24 THR OG1 : rot 40:sc= 0.404 USER MOD Set 1.2: A 89 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 23 MET CE :methyl 161:sc= -0.0318 (180deg=-0.196) USER MOD Set 2.2: A 74 SER OG : rot -170:sc= 0 USER MOD Single : A 22 THR OG1 : rot -31:sc= 1.25 USER MOD Single : A 27 SER OG : rot -104:sc= 1.14 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0621 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= 0.941 K(o=0.94,f=-0.0087) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 1.2 (180deg=1.15) 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=-0.03) USER MOD Single : A 51 SER OG : rot 63:sc= 0.521 USER MOD Single : A 52 GLN : amide:sc= 1.09 K(o=1.1,f=-1.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -175:sc= 0 (180deg=-0.051) USER MOD Single : A 57 CYS SG : rot 180:sc= 0.0102 USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0216) USER MOD Single : A 62 ASN : amide:sc= -0.0997 X(o=-0.1,f=-0.01) USER MOD Single : A 63 MET CE :methyl 174:sc= -0.825 (180deg=-1.06) USER MOD Single : A 66 CYS SG : rot 180:sc= -1.08 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00929 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 78 GLN : amide:sc= 0.244 X(o=0.24,f=0) USER MOD Single : A 82 HIS : no HD1:sc=-0.00146 X(o=-0.0015,f=0) USER MOD Single : A 84 SER OG : rot 160:sc= 0.884 USER MOD ----------------------------------------------------------------- ATOM 254 N PHE A 20 8.056 -10.531 5.208 1.00 0.00 N ATOM 255 CA PHE A 20 7.039 -9.492 5.160 1.00 0.00 C ATOM 256 C PHE A 20 7.638 -8.303 4.414 1.00 0.00 C ATOM 257 O PHE A 20 8.854 -8.104 4.427 1.00 0.00 O ATOM 258 CB PHE A 20 6.581 -9.102 6.577 1.00 0.00 C ATOM 259 CG PHE A 20 5.398 -9.908 7.076 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.586 -11.189 7.623 1.00 0.00 C ATOM 261 CD2 PHE A 20 4.096 -9.387 6.957 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.477 -11.954 8.022 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.983 -10.160 7.329 1.00 0.00 C ATOM 264 CZ PHE A 20 3.176 -11.451 7.851 1.00 0.00 C ATOM 0 HA PHE A 20 6.150 -9.848 4.640 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.415 -9.230 7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.319 -8.044 6.587 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.584 -11.586 7.737 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.951 -8.386 6.577 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.625 -12.930 8.461 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.985 -9.764 7.214 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.324 -12.057 8.121 1.00 0.00 H new ATOM 274 N VAL A 21 6.778 -7.504 3.790 1.00 0.00 N ATOM 275 CA VAL A 21 7.123 -6.325 3.007 1.00 0.00 C ATOM 276 C VAL A 21 6.049 -5.264 3.267 1.00 0.00 C ATOM 277 O VAL A 21 4.923 -5.603 3.640 1.00 0.00 O ATOM 278 CB VAL A 21 7.271 -6.753 1.526 1.00 0.00 C ATOM 279 CG1 VAL A 21 6.015 -7.415 0.935 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.694 -5.623 0.585 1.00 0.00 C ATOM 0 H VAL A 21 5.772 -7.671 3.819 1.00 0.00 H new ATOM 0 HA VAL A 21 8.077 -5.880 3.289 1.00 0.00 H new ATOM 0 HB VAL A 21 8.073 -7.490 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.201 -7.685 -0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.774 -8.312 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.179 -6.718 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.774 -6.007 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.950 -4.827 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.660 -5.228 0.901 1.00 0.00 H new ATOM 290 N THR A 22 6.426 -3.996 3.150 1.00 0.00 N ATOM 291 CA THR A 22 5.544 -2.857 3.356 1.00 0.00 C ATOM 292 C THR A 22 5.023 -2.416 1.988 1.00 0.00 C ATOM 293 O THR A 22 5.674 -2.658 0.972 1.00 0.00 O ATOM 294 CB THR A 22 6.339 -1.739 4.063 1.00 0.00 C ATOM 295 OG1 THR A 22 7.065 -2.268 5.159 1.00 0.00 O ATOM 296 CG2 THR A 22 5.468 -0.603 4.607 1.00 0.00 C ATOM 0 H THR A 22 7.378 -3.726 2.903 1.00 0.00 H new ATOM 0 HA THR A 22 4.692 -3.108 3.987 1.00 0.00 H new ATOM 0 HB THR A 22 6.995 -1.331 3.294 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.579 -3.031 5.536 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.101 0.142 5.089 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.921 -0.139 3.786 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.761 -1.003 5.334 1.00 0.00 H new ATOM 304 N MET A 23 3.870 -1.761 1.944 1.00 0.00 N ATOM 305 CA MET A 23 3.242 -1.256 0.733 1.00 0.00 C ATOM 306 C MET A 23 2.658 0.119 1.044 1.00 0.00 C ATOM 307 O MET A 23 2.443 0.476 2.209 1.00 0.00 O ATOM 308 CB MET A 23 2.152 -2.227 0.256 1.00 0.00 C ATOM 309 CG MET A 23 2.692 -3.360 -0.624 1.00 0.00 C ATOM 310 SD MET A 23 2.895 -2.932 -2.380 1.00 0.00 S ATOM 311 CE MET A 23 2.131 -4.362 -3.220 1.00 0.00 C ATOM 0 H MET A 23 3.327 -1.560 2.784 1.00 0.00 H new ATOM 0 HA MET A 23 3.973 -1.169 -0.070 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.653 -2.657 1.124 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.398 -1.671 -0.302 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.656 -3.680 -0.229 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.018 -4.213 -0.548 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.882 -4.091 -4.246 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.831 -5.198 -3.225 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.223 -4.652 -2.691 1.00 0.00 H new ATOM 321 N THR A 24 2.422 0.890 -0.009 1.00 0.00 N ATOM 322 CA THR A 24 1.856 2.226 0.053 1.00 0.00 C ATOM 323 C THR A 24 0.750 2.313 -0.992 1.00 0.00 C ATOM 324 O THR A 24 0.754 1.564 -1.976 1.00 0.00 O ATOM 325 CB THR A 24 2.939 3.309 -0.156 1.00 0.00 C ATOM 326 OG1 THR A 24 4.155 2.820 -0.715 1.00 0.00 O ATOM 327 CG2 THR A 24 3.278 3.984 1.174 1.00 0.00 C ATOM 0 H THR A 24 2.627 0.590 -0.962 1.00 0.00 H new ATOM 0 HA THR A 24 1.438 2.412 1.042 1.00 0.00 H new ATOM 0 HB THR A 24 2.504 4.010 -0.868 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.953 2.152 -1.404 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.042 4.744 1.012 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.382 4.451 1.584 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.652 3.238 1.876 1.00 0.00 H new ATOM 335 N LEU A 25 -0.220 3.194 -0.758 1.00 0.00 N ATOM 336 CA LEU A 25 -1.345 3.423 -1.646 1.00 0.00 C ATOM 337 C LEU A 25 -1.556 4.932 -1.641 1.00 0.00 C ATOM 338 O LEU A 25 -1.963 5.482 -0.618 1.00 0.00 O ATOM 339 CB LEU A 25 -2.579 2.627 -1.181 1.00 0.00 C ATOM 340 CG LEU A 25 -3.650 2.527 -2.275 1.00 0.00 C ATOM 341 CD1 LEU A 25 -3.245 1.540 -3.377 1.00 0.00 C ATOM 342 CD2 LEU A 25 -4.984 2.078 -1.668 1.00 0.00 C ATOM 0 H LEU A 25 -0.241 3.780 0.076 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.163 3.073 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.272 1.625 -0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.006 3.105 -0.299 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.754 3.517 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.029 1.497 -4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.314 1.871 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.104 0.550 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.737 2.010 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.860 1.102 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.305 2.802 -0.919 1.00 0.00 H new ATOM 354 N GLU A 26 -1.205 5.601 -2.736 1.00 0.00 N ATOM 355 CA GLU A 26 -1.325 7.050 -2.887 1.00 0.00 C ATOM 356 C GLU A 26 -2.638 7.377 -3.594 1.00 0.00 C ATOM 357 O GLU A 26 -2.964 6.761 -4.613 1.00 0.00 O ATOM 358 CB GLU A 26 -0.111 7.599 -3.651 1.00 0.00 C ATOM 359 CG GLU A 26 1.149 7.533 -2.779 1.00 0.00 C ATOM 360 CD GLU A 26 2.391 8.053 -3.503 1.00 0.00 C ATOM 361 OE1 GLU A 26 2.979 7.284 -4.306 1.00 0.00 O ATOM 362 OE2 GLU A 26 2.842 9.185 -3.214 1.00 0.00 O ATOM 0 H GLU A 26 -0.821 5.142 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.339 7.529 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.041 7.024 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.299 8.630 -3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.990 8.117 -1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.318 6.502 -2.469 1.00 0.00 H new ATOM 369 N SER A 27 -3.380 8.334 -3.041 1.00 0.00 N ATOM 370 CA SER A 27 -4.676 8.796 -3.536 1.00 0.00 C ATOM 371 C SER A 27 -4.538 10.067 -4.380 1.00 0.00 C ATOM 372 O SER A 27 -3.481 10.714 -4.400 1.00 0.00 O ATOM 373 CB SER A 27 -5.660 9.025 -2.367 1.00 0.00 C ATOM 374 OG SER A 27 -5.095 8.805 -1.080 1.00 0.00 O ATOM 0 H SER A 27 -3.083 8.830 -2.201 1.00 0.00 H new ATOM 0 HA SER A 27 -5.078 8.013 -4.180 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.035 10.047 -2.417 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.517 8.364 -2.493 1.00 0.00 H new ATOM 0 HG SER A 27 -5.403 7.943 -0.730 1.00 0.00 H new ATOM 380 N LEU A 28 -5.627 10.438 -5.059 1.00 0.00 N ATOM 381 CA LEU A 28 -5.712 11.617 -5.911 1.00 0.00 C ATOM 382 C LEU A 28 -5.824 12.886 -5.066 1.00 0.00 C ATOM 383 O LEU A 28 -5.135 13.860 -5.344 1.00 0.00 O ATOM 384 CB LEU A 28 -6.898 11.479 -6.888 1.00 0.00 C ATOM 385 CG LEU A 28 -6.472 11.721 -8.348 1.00 0.00 C ATOM 386 CD1 LEU A 28 -7.642 11.389 -9.276 1.00 0.00 C ATOM 387 CD2 LEU A 28 -6.023 13.163 -8.605 1.00 0.00 C ATOM 0 H LEU A 28 -6.497 9.907 -5.027 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.798 11.697 -6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.329 10.482 -6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.678 12.190 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.618 11.074 -8.546 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.345 11.559 -10.311 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.924 10.344 -9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.492 12.027 -9.033 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.735 13.273 -9.650 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.843 13.845 -8.381 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.171 13.398 -7.967 1.00 0.00 H new ATOM 399 N GLU A 29 -6.687 12.900 -4.049 1.00 0.00 N ATOM 400 CA GLU A 29 -6.914 14.018 -3.129 1.00 0.00 C ATOM 401 C GLU A 29 -7.124 13.436 -1.723 1.00 0.00 C ATOM 402 O GLU A 29 -7.407 12.237 -1.606 1.00 0.00 O ATOM 403 CB GLU A 29 -8.127 14.857 -3.558 1.00 0.00 C ATOM 404 CG GLU A 29 -7.900 15.696 -4.832 1.00 0.00 C ATOM 405 CD GLU A 29 -9.072 16.644 -5.125 1.00 0.00 C ATOM 406 OE1 GLU A 29 -10.081 16.635 -4.384 1.00 0.00 O ATOM 407 OE2 GLU A 29 -9.021 17.409 -6.114 1.00 0.00 O ATOM 0 H GLU A 29 -7.275 12.095 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.051 14.684 -3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.975 14.192 -3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.399 15.525 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.985 16.277 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.754 15.029 -5.682 1.00 0.00 H new ATOM 414 N GLU A 30 -7.019 14.271 -0.679 1.00 0.00 N ATOM 415 CA GLU A 30 -7.159 13.923 0.740 1.00 0.00 C ATOM 416 C GLU A 30 -8.416 13.090 1.041 1.00 0.00 C ATOM 417 O GLU A 30 -9.445 13.221 0.373 1.00 0.00 O ATOM 418 CB GLU A 30 -7.085 15.188 1.619 1.00 0.00 C ATOM 419 CG GLU A 30 -6.273 14.933 2.905 1.00 0.00 C ATOM 420 CD GLU A 30 -6.177 16.154 3.830 1.00 0.00 C ATOM 421 OE1 GLU A 30 -6.507 17.289 3.413 1.00 0.00 O ATOM 422 OE2 GLU A 30 -5.848 15.982 5.026 1.00 0.00 O ATOM 0 H GLU A 30 -6.823 15.263 -0.811 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.317 13.279 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.628 16.000 1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.093 15.510 1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.728 14.108 3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.267 14.616 2.631 1.00 0.00 H new ATOM 429 N ILE A 31 -8.332 12.280 2.099 1.00 0.00 N ATOM 430 CA ILE A 31 -9.366 11.366 2.575 1.00 0.00 C ATOM 431 C ILE A 31 -9.601 11.501 4.083 1.00 0.00 C ATOM 432 O ILE A 31 -8.700 11.896 4.835 1.00 0.00 O ATOM 433 CB ILE A 31 -8.955 9.919 2.201 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.529 9.572 2.713 1.00 0.00 C ATOM 435 CG2 ILE A 31 -9.105 9.718 0.685 1.00 0.00 C ATOM 436 CD1 ILE A 31 -6.984 8.223 2.243 1.00 0.00 C ATOM 0 H ILE A 31 -7.492 12.244 2.677 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.311 11.619 2.095 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.624 9.220 2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.843 10.356 2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.538 9.583 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.816 8.700 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.143 9.886 0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.463 10.425 0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.985 8.072 2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.642 7.425 2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.936 8.209 1.154 1.00 0.00 H new ATOM 448 N GLN A 32 -10.788 11.087 4.538 1.00 0.00 N ATOM 449 CA GLN A 32 -11.233 11.122 5.926 1.00 0.00 C ATOM 450 C GLN A 32 -10.386 10.200 6.805 1.00 0.00 C ATOM 451 O GLN A 32 -9.580 10.673 7.609 1.00 0.00 O ATOM 452 CB GLN A 32 -12.719 10.722 6.009 1.00 0.00 C ATOM 453 CG GLN A 32 -13.667 11.862 5.616 1.00 0.00 C ATOM 454 CD GLN A 32 -15.091 11.385 5.367 1.00 0.00 C ATOM 455 OE1 GLN A 32 -16.005 11.694 6.131 1.00 0.00 O ATOM 456 NE2 GLN A 32 -15.313 10.670 4.278 1.00 0.00 N ATOM 0 H GLN A 32 -11.496 10.700 3.914 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.112 12.140 6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -12.897 9.867 5.357 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -12.947 10.400 7.025 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.673 12.612 6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.289 12.349 4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.538 10.427 3.661 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.259 10.361 4.055 1.00 0.00 H new ATOM 465 N ASP A 33 -10.537 8.884 6.666 1.00 0.00 N ATOM 466 CA ASP A 33 -9.832 7.873 7.446 1.00 0.00 C ATOM 467 C ASP A 33 -9.660 6.574 6.662 1.00 0.00 C ATOM 468 O ASP A 33 -10.177 6.429 5.548 1.00 0.00 O ATOM 469 CB ASP A 33 -10.577 7.611 8.766 1.00 0.00 C ATOM 470 CG ASP A 33 -12.056 7.225 8.658 1.00 0.00 C ATOM 471 OD1 ASP A 33 -12.584 7.010 7.548 1.00 0.00 O ATOM 472 OD2 ASP A 33 -12.718 7.224 9.724 1.00 0.00 O ATOM 0 H ASP A 33 -11.177 8.480 5.982 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.836 8.255 7.667 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.056 6.815 9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.504 8.508 9.382 1.00 0.00 H new ATOM 477 N VAL A 34 -8.911 5.633 7.250 1.00 0.00 N ATOM 478 CA VAL A 34 -8.610 4.327 6.669 1.00 0.00 C ATOM 479 C VAL A 34 -9.885 3.559 6.328 1.00 0.00 C ATOM 480 O VAL A 34 -9.881 2.726 5.430 1.00 0.00 O ATOM 481 CB VAL A 34 -7.725 3.479 7.612 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.312 4.045 7.795 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.340 3.270 9.004 1.00 0.00 C ATOM 0 H VAL A 34 -8.488 5.767 8.168 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.059 4.512 5.747 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.662 2.518 7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.746 3.401 8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.810 4.090 6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.374 5.047 8.219 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.666 2.667 9.613 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.494 4.237 9.483 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.297 2.757 8.906 1.00 0.00 H new ATOM 493 N SER A 35 -10.993 3.851 7.006 1.00 0.00 N ATOM 494 CA SER A 35 -12.290 3.228 6.822 1.00 0.00 C ATOM 495 C SER A 35 -12.785 3.394 5.374 1.00 0.00 C ATOM 496 O SER A 35 -13.630 2.613 4.925 1.00 0.00 O ATOM 497 CB SER A 35 -13.221 3.796 7.899 1.00 0.00 C ATOM 498 OG SER A 35 -12.492 3.981 9.111 1.00 0.00 O ATOM 0 H SER A 35 -11.005 4.565 7.734 1.00 0.00 H new ATOM 0 HA SER A 35 -12.248 2.147 6.954 1.00 0.00 H new ATOM 0 HB2 SER A 35 -13.642 4.745 7.567 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.058 3.118 8.066 1.00 0.00 H new ATOM 0 HG SER A 35 -13.088 4.346 9.799 1.00 0.00 H new ATOM 504 N CYS A 36 -12.278 4.398 4.644 1.00 0.00 N ATOM 505 CA CYS A 36 -12.589 4.660 3.246 1.00 0.00 C ATOM 506 C CYS A 36 -11.762 3.664 2.429 1.00 0.00 C ATOM 507 O CYS A 36 -12.338 2.839 1.718 1.00 0.00 O ATOM 508 CB CYS A 36 -12.220 6.102 2.877 1.00 0.00 C ATOM 509 SG CYS A 36 -13.363 7.241 3.710 1.00 0.00 S ATOM 0 H CYS A 36 -11.616 5.070 5.033 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.654 4.542 3.047 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.193 6.315 3.175 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.273 6.239 1.797 1.00 0.00 H new ATOM 0 HG CYS A 36 -13.055 8.466 3.404 1.00 0.00 H new ATOM 515 N ALA A 37 -10.431 3.704 2.587 1.00 0.00 N ATOM 516 CA ALA A 37 -9.500 2.821 1.894 1.00 0.00 C ATOM 517 C ALA A 37 -9.908 1.361 2.092 1.00 0.00 C ATOM 518 O ALA A 37 -9.912 0.599 1.133 1.00 0.00 O ATOM 519 CB ALA A 37 -8.066 3.081 2.370 1.00 0.00 C ATOM 0 H ALA A 37 -9.970 4.365 3.212 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.535 3.031 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.382 2.415 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.796 4.116 2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.000 2.897 3.442 1.00 0.00 H new ATOM 525 N TRP A 38 -10.312 0.959 3.304 1.00 0.00 N ATOM 526 CA TRP A 38 -10.747 -0.402 3.605 1.00 0.00 C ATOM 527 C TRP A 38 -11.857 -0.819 2.639 1.00 0.00 C ATOM 528 O TRP A 38 -11.801 -1.915 2.079 1.00 0.00 O ATOM 529 CB TRP A 38 -11.257 -0.511 5.053 1.00 0.00 C ATOM 530 CG TRP A 38 -10.237 -0.822 6.107 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.971 -0.076 7.203 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.380 -1.998 6.215 1.00 0.00 C ATOM 533 NE1 TRP A 38 -9.021 -0.710 7.978 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.606 -1.893 7.406 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.182 -3.150 5.422 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.662 -2.865 7.772 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.251 -4.139 5.789 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.475 -3.986 6.949 1.00 0.00 C ATOM 0 H TRP A 38 -10.345 1.582 4.111 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.890 -1.066 3.489 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.740 0.430 5.315 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -12.025 -1.283 5.085 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.432 0.872 7.437 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.670 -0.348 8.864 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -9.757 -3.274 4.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -7.085 -2.751 8.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.133 -5.020 5.176 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.736 -4.730 7.207 1.00 0.00 H new ATOM 549 N LYS A 39 -12.874 0.030 2.451 1.00 0.00 N ATOM 550 CA LYS A 39 -14.002 -0.201 1.573 1.00 0.00 C ATOM 551 C LYS A 39 -13.534 -0.464 0.142 1.00 0.00 C ATOM 552 O LYS A 39 -13.926 -1.460 -0.461 1.00 0.00 O ATOM 553 CB LYS A 39 -14.916 1.038 1.651 1.00 0.00 C ATOM 554 CG LYS A 39 -16.375 0.622 1.534 1.00 0.00 C ATOM 555 CD LYS A 39 -17.316 1.797 1.221 1.00 0.00 C ATOM 556 CE LYS A 39 -17.301 2.934 2.243 1.00 0.00 C ATOM 557 NZ LYS A 39 -17.704 2.521 3.602 1.00 0.00 N ATOM 0 H LYS A 39 -12.925 0.929 2.930 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.554 -1.087 1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.754 1.560 2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.664 1.736 0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.470 -0.130 0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.688 0.152 2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.051 2.204 0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -18.334 1.415 1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.298 3.359 2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.968 3.726 1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.670 3.342 4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.672 2.142 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.054 1.787 3.949 1.00 0.00 H new ATOM 571 N GLU A 40 -12.683 0.410 -0.388 1.00 0.00 N ATOM 572 CA GLU A 40 -12.142 0.325 -1.738 1.00 0.00 C ATOM 573 C GLU A 40 -11.237 -0.898 -1.908 1.00 0.00 C ATOM 574 O GLU A 40 -11.355 -1.629 -2.891 1.00 0.00 O ATOM 575 CB GLU A 40 -11.443 1.646 -2.024 1.00 0.00 C ATOM 576 CG GLU A 40 -10.855 1.757 -3.437 1.00 0.00 C ATOM 577 CD GLU A 40 -10.963 3.198 -3.936 1.00 0.00 C ATOM 578 OE1 GLU A 40 -10.687 4.117 -3.126 1.00 0.00 O ATOM 579 OE2 GLU A 40 -11.357 3.396 -5.109 1.00 0.00 O ATOM 0 H GLU A 40 -12.341 1.221 0.127 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.935 0.176 -2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.153 2.459 -1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.642 1.784 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.811 1.443 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.386 1.088 -4.114 1.00 0.00 H new ATOM 586 N LEU A 41 -10.374 -1.183 -0.934 1.00 0.00 N ATOM 587 CA LEU A 41 -9.477 -2.335 -0.958 1.00 0.00 C ATOM 588 C LEU A 41 -10.352 -3.588 -0.994 1.00 0.00 C ATOM 589 O LEU A 41 -10.086 -4.499 -1.767 1.00 0.00 O ATOM 590 CB LEU A 41 -8.510 -2.298 0.243 1.00 0.00 C ATOM 591 CG LEU A 41 -7.366 -1.289 -0.008 1.00 0.00 C ATOM 592 CD1 LEU A 41 -6.776 -0.674 1.268 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.216 -1.959 -0.772 1.00 0.00 C ATOM 0 H LEU A 41 -10.278 -0.611 -0.095 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.837 -2.327 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.054 -2.021 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.095 -3.291 0.413 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.825 -0.487 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.980 0.022 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.557 -0.142 1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.371 -1.465 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.420 -1.234 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.829 -2.794 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.581 -2.325 -1.731 1.00 0.00 H new ATOM 605 N ASN A 42 -11.434 -3.626 -0.211 1.00 0.00 N ATOM 606 CA ASN A 42 -12.366 -4.761 -0.183 1.00 0.00 C ATOM 607 C ASN A 42 -13.101 -4.891 -1.521 1.00 0.00 C ATOM 608 O ASN A 42 -13.554 -5.977 -1.871 1.00 0.00 O ATOM 609 CB ASN A 42 -13.428 -4.600 0.918 1.00 0.00 C ATOM 610 CG ASN A 42 -13.006 -5.198 2.246 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.535 -6.217 2.672 1.00 0.00 O ATOM 612 ND2 ASN A 42 -12.110 -4.549 2.963 1.00 0.00 N ATOM 0 H ASN A 42 -11.690 -2.870 0.423 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.766 -5.649 0.015 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.642 -3.540 1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.355 -5.072 0.592 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.848 -4.894 3.886 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.678 -3.702 2.594 1.00 0.00 H new ATOM 619 N ARG A 43 -13.289 -3.790 -2.254 1.00 0.00 N ATOM 620 CA ARG A 43 -13.959 -3.765 -3.550 1.00 0.00 C ATOM 621 C ARG A 43 -13.051 -4.347 -4.623 1.00 0.00 C ATOM 622 O ARG A 43 -13.475 -5.205 -5.393 1.00 0.00 O ATOM 623 CB ARG A 43 -14.322 -2.308 -3.910 1.00 0.00 C ATOM 624 CG ARG A 43 -15.794 -1.996 -3.673 1.00 0.00 C ATOM 625 CD ARG A 43 -16.646 -2.517 -4.831 1.00 0.00 C ATOM 626 NE ARG A 43 -17.997 -2.836 -4.377 1.00 0.00 N ATOM 627 CZ ARG A 43 -19.078 -2.976 -5.139 1.00 0.00 C ATOM 628 NH1 ARG A 43 -19.085 -2.654 -6.428 1.00 0.00 N ATOM 629 NH2 ARG A 43 -20.190 -3.439 -4.586 1.00 0.00 N ATOM 0 H ARG A 43 -12.970 -2.870 -1.952 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.866 -4.366 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.710 -1.628 -3.317 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.079 -2.125 -4.957 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.122 -2.451 -2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.931 -0.920 -3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.690 -1.768 -5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.182 -3.405 -5.259 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.124 -2.965 -3.373 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.241 -2.285 -6.866 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.934 -2.776 -6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -20.205 -3.680 -3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -21.031 -3.554 -5.151 1.00 0.00 H new ATOM 643 N LYS A 44 -11.812 -3.870 -4.681 1.00 0.00 N ATOM 644 CA LYS A 44 -10.822 -4.291 -5.660 1.00 0.00 C ATOM 645 C LYS A 44 -10.190 -5.647 -5.373 1.00 0.00 C ATOM 646 O LYS A 44 -9.765 -6.311 -6.316 1.00 0.00 O ATOM 647 CB LYS A 44 -9.720 -3.226 -5.674 1.00 0.00 C ATOM 648 CG LYS A 44 -10.182 -1.856 -6.198 1.00 0.00 C ATOM 649 CD LYS A 44 -10.521 -1.886 -7.696 1.00 0.00 C ATOM 650 CE LYS A 44 -12.022 -1.884 -7.978 1.00 0.00 C ATOM 651 NZ LYS A 44 -12.286 -1.831 -9.428 1.00 0.00 N ATOM 0 H LYS A 44 -11.463 -3.164 -4.033 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.331 -4.397 -6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.333 -3.105 -4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.894 -3.580 -6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.058 -1.532 -5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.399 -1.119 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.066 -1.022 -8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.076 -2.774 -8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.477 -2.779 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.487 -1.028 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.302 -1.677 -9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.745 -1.050 -9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.997 -2.729 -9.866 1.00 0.00 H new ATOM 665 N LEU A 45 -10.119 -6.081 -4.119 1.00 0.00 N ATOM 666 CA LEU A 45 -9.504 -7.347 -3.734 1.00 0.00 C ATOM 667 C LEU A 45 -10.554 -8.353 -3.286 1.00 0.00 C ATOM 668 O LEU A 45 -11.760 -8.082 -3.295 1.00 0.00 O ATOM 669 CB LEU A 45 -8.489 -7.093 -2.596 1.00 0.00 C ATOM 670 CG LEU A 45 -7.417 -6.030 -2.909 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.627 -5.708 -1.635 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.495 -6.507 -4.031 1.00 0.00 C ATOM 0 H LEU A 45 -10.493 -5.555 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.990 -7.766 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.035 -6.786 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.990 -8.032 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.904 -5.118 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.869 -4.956 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.306 -5.325 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.143 -6.613 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.746 -5.742 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.999 -7.429 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.082 -6.691 -4.931 1.00 0.00 H new ATOM 684 N SER A 46 -10.090 -9.553 -2.954 1.00 0.00 N ATOM 685 CA SER A 46 -10.923 -10.635 -2.462 1.00 0.00 C ATOM 686 C SER A 46 -10.978 -10.487 -0.942 1.00 0.00 C ATOM 687 O SER A 46 -10.053 -9.927 -0.346 1.00 0.00 O ATOM 688 CB SER A 46 -10.276 -11.970 -2.830 1.00 0.00 C ATOM 689 OG SER A 46 -10.421 -12.214 -4.209 1.00 0.00 O ATOM 0 H SER A 46 -9.103 -9.802 -3.022 1.00 0.00 H new ATOM 0 HA SER A 46 -11.923 -10.603 -2.894 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.219 -11.956 -2.564 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.737 -12.776 -2.260 1.00 0.00 H new ATOM 0 HG SER A 46 -10.002 -13.070 -4.436 1.00 0.00 H new ATOM 695 N SER A 47 -12.028 -10.996 -0.298 1.00 0.00 N ATOM 696 CA SER A 47 -12.137 -10.912 1.151 1.00 0.00 C ATOM 697 C SER A 47 -10.966 -11.658 1.811 1.00 0.00 C ATOM 698 O SER A 47 -10.467 -11.190 2.826 1.00 0.00 O ATOM 699 CB SER A 47 -13.477 -11.478 1.617 1.00 0.00 C ATOM 700 OG SER A 47 -14.574 -10.918 0.913 1.00 0.00 O ATOM 0 H SER A 47 -12.808 -11.467 -0.756 1.00 0.00 H new ATOM 0 HA SER A 47 -12.090 -9.865 1.450 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.477 -12.560 1.484 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.598 -11.288 2.683 1.00 0.00 H new ATOM 0 HG SER A 47 -15.409 -11.310 1.243 1.00 0.00 H new ATOM 706 N ASN A 48 -10.486 -12.771 1.238 1.00 0.00 N ATOM 707 CA ASN A 48 -9.359 -13.494 1.842 1.00 0.00 C ATOM 708 C ASN A 48 -8.074 -12.683 1.670 1.00 0.00 C ATOM 709 O ASN A 48 -7.320 -12.497 2.619 1.00 0.00 O ATOM 710 CB ASN A 48 -9.169 -14.901 1.263 1.00 0.00 C ATOM 711 CG ASN A 48 -10.431 -15.742 1.334 1.00 0.00 C ATOM 712 OD1 ASN A 48 -11.122 -15.787 2.345 1.00 0.00 O ATOM 713 ND2 ASN A 48 -10.819 -16.353 0.231 1.00 0.00 N ATOM 0 H ASN A 48 -10.850 -13.182 0.378 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.590 -13.617 2.900 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.849 -14.821 0.224 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.370 -15.407 1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.700 -16.867 0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.238 -16.311 -0.607 1.00 0.00 H new ATOM 720 N ALA A 49 -7.838 -12.154 0.466 1.00 0.00 N ATOM 721 CA ALA A 49 -6.664 -11.350 0.157 1.00 0.00 C ATOM 722 C ALA A 49 -6.586 -10.134 1.074 1.00 0.00 C ATOM 723 O ALA A 49 -5.515 -9.825 1.596 1.00 0.00 O ATOM 724 CB ALA A 49 -6.729 -10.859 -1.292 1.00 0.00 C ATOM 0 H ALA A 49 -8.467 -12.277 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.783 -11.975 0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.846 -10.259 -1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.763 -11.716 -1.965 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.624 -10.253 -1.431 1.00 0.00 H new ATOM 730 N VAL A 50 -7.708 -9.438 1.286 1.00 0.00 N ATOM 731 CA VAL A 50 -7.713 -8.259 2.133 1.00 0.00 C ATOM 732 C VAL A 50 -7.342 -8.634 3.585 1.00 0.00 C ATOM 733 O VAL A 50 -6.757 -7.807 4.289 1.00 0.00 O ATOM 734 CB VAL A 50 -9.015 -7.448 1.929 1.00 0.00 C ATOM 735 CG1 VAL A 50 -10.136 -7.796 2.904 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.753 -5.943 2.014 1.00 0.00 C ATOM 0 H VAL A 50 -8.614 -9.675 0.882 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.928 -7.562 1.838 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.351 -7.728 0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.010 -7.181 2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.398 -8.849 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.802 -7.608 3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.688 -5.402 1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.344 -5.700 2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.040 -5.654 1.242 1.00 0.00 H new ATOM 746 N SER A 51 -7.607 -9.867 4.048 1.00 0.00 N ATOM 747 CA SER A 51 -7.267 -10.318 5.398 1.00 0.00 C ATOM 748 C SER A 51 -5.744 -10.404 5.601 1.00 0.00 C ATOM 749 O SER A 51 -5.277 -10.407 6.744 1.00 0.00 O ATOM 750 CB SER A 51 -7.880 -11.695 5.681 1.00 0.00 C ATOM 751 OG SER A 51 -9.272 -11.735 5.460 1.00 0.00 O ATOM 0 H SER A 51 -8.068 -10.582 3.486 1.00 0.00 H new ATOM 0 HA SER A 51 -7.675 -9.581 6.090 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.396 -12.439 5.048 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.674 -11.973 6.715 1.00 0.00 H new ATOM 0 HG SER A 51 -9.458 -11.555 4.515 1.00 0.00 H new ATOM 757 N GLN A 52 -4.950 -10.467 4.522 1.00 0.00 N ATOM 758 CA GLN A 52 -3.492 -10.547 4.594 1.00 0.00 C ATOM 759 C GLN A 52 -2.875 -9.210 5.027 1.00 0.00 C ATOM 760 O GLN A 52 -1.746 -9.190 5.519 1.00 0.00 O ATOM 761 CB GLN A 52 -2.919 -10.974 3.227 1.00 0.00 C ATOM 762 CG GLN A 52 -3.396 -12.357 2.744 1.00 0.00 C ATOM 763 CD GLN A 52 -2.674 -13.494 3.465 1.00 0.00 C ATOM 764 OE1 GLN A 52 -2.756 -13.625 4.686 1.00 0.00 O ATOM 765 NE2 GLN A 52 -1.918 -14.318 2.766 1.00 0.00 N ATOM 0 H GLN A 52 -5.310 -10.464 3.568 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.235 -11.293 5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.193 -10.227 2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.831 -10.979 3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.470 -12.448 2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.229 -12.444 1.670 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.848 -14.212 1.754 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.403 -15.062 3.237 1.00 0.00 H new ATOM 774 N ILE A 53 -3.597 -8.102 4.843 1.00 0.00 N ATOM 775 CA ILE A 53 -3.158 -6.757 5.192 1.00 0.00 C ATOM 776 C ILE A 53 -3.202 -6.607 6.716 1.00 0.00 C ATOM 777 O ILE A 53 -4.189 -6.996 7.352 1.00 0.00 O ATOM 778 CB ILE A 53 -4.053 -5.734 4.449 1.00 0.00 C ATOM 779 CG1 ILE A 53 -3.843 -5.882 2.920 1.00 0.00 C ATOM 780 CG2 ILE A 53 -3.761 -4.300 4.919 1.00 0.00 C ATOM 781 CD1 ILE A 53 -4.853 -5.107 2.070 1.00 0.00 C ATOM 0 H ILE A 53 -4.531 -8.121 4.434 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.130 -6.571 4.880 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.098 -5.939 4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.838 -5.544 2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.899 -6.938 2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.403 -3.603 4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.955 -4.221 5.989 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.717 -4.058 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.636 -5.264 1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.860 -5.460 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.783 -4.044 2.301 1.00 0.00 H new ATOM 793 N THR A 54 -2.169 -6.000 7.295 1.00 0.00 N ATOM 794 CA THR A 54 -2.022 -5.759 8.724 1.00 0.00 C ATOM 795 C THR A 54 -1.276 -4.432 8.926 1.00 0.00 C ATOM 796 O THR A 54 -0.698 -3.892 7.980 1.00 0.00 O ATOM 797 CB THR A 54 -1.299 -6.986 9.333 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.013 -6.873 10.714 1.00 0.00 O ATOM 799 CG2 THR A 54 0.023 -7.360 8.649 1.00 0.00 C ATOM 0 H THR A 54 -1.378 -5.648 6.755 1.00 0.00 H new ATOM 0 HA THR A 54 -2.978 -5.654 9.236 1.00 0.00 H new ATOM 0 HB THR A 54 -2.040 -7.767 9.163 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.560 -7.686 11.022 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.455 -8.230 9.144 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.163 -7.594 7.601 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.717 -6.522 8.716 1.00 0.00 H new ATOM 807 N ARG A 55 -1.290 -3.898 10.154 1.00 0.00 N ATOM 808 CA ARG A 55 -0.610 -2.658 10.533 1.00 0.00 C ATOM 809 C ARG A 55 -0.969 -1.468 9.629 1.00 0.00 C ATOM 810 O ARG A 55 -0.095 -0.703 9.219 1.00 0.00 O ATOM 811 CB ARG A 55 0.903 -2.948 10.598 1.00 0.00 C ATOM 812 CG ARG A 55 1.260 -4.056 11.603 1.00 0.00 C ATOM 813 CD ARG A 55 2.777 -4.145 11.782 1.00 0.00 C ATOM 814 NE ARG A 55 3.194 -5.420 12.388 1.00 0.00 N ATOM 815 CZ ARG A 55 4.431 -5.730 12.793 1.00 0.00 C ATOM 816 NH1 ARG A 55 5.415 -4.838 12.703 1.00 0.00 N ATOM 817 NH2 ARG A 55 4.682 -6.937 13.291 1.00 0.00 N ATOM 0 H ARG A 55 -1.789 -4.331 10.931 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.956 -2.339 11.516 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.255 -3.236 9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.431 -2.034 10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.786 -3.852 12.563 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.872 -5.012 11.253 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.262 -4.030 10.813 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.116 -3.320 12.408 1.00 0.00 H new ATOM 0 HE ARG A 55 2.474 -6.132 12.510 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.229 -3.910 12.323 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.355 -5.083 13.014 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.932 -7.625 13.364 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.624 -7.175 13.600 1.00 0.00 H new ATOM 831 N MET A 56 -2.247 -1.331 9.266 1.00 0.00 N ATOM 832 CA MET A 56 -2.721 -0.248 8.409 1.00 0.00 C ATOM 833 C MET A 56 -2.818 1.047 9.218 1.00 0.00 C ATOM 834 O MET A 56 -3.589 1.090 10.184 1.00 0.00 O ATOM 835 CB MET A 56 -4.078 -0.616 7.790 1.00 0.00 C ATOM 836 CG MET A 56 -4.449 0.377 6.687 1.00 0.00 C ATOM 837 SD MET A 56 -6.213 0.406 6.279 1.00 0.00 S ATOM 838 CE MET A 56 -6.306 -0.792 4.931 1.00 0.00 C ATOM 0 H MET A 56 -2.983 -1.973 9.561 1.00 0.00 H new ATOM 0 HA MET A 56 -2.011 -0.094 7.596 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.036 -1.625 7.380 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.848 -0.617 8.561 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.142 1.377 6.995 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.883 0.133 5.788 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.318 -0.807 4.527 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.605 -0.510 4.145 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.051 -1.783 5.307 1.00 0.00 H new ATOM 848 N CYS A 57 -2.028 2.065 8.870 1.00 0.00 N ATOM 849 CA CYS A 57 -2.022 3.364 9.539 1.00 0.00 C ATOM 850 C CYS A 57 -2.182 4.509 8.525 1.00 0.00 C ATOM 851 O CYS A 57 -2.061 4.311 7.313 1.00 0.00 O ATOM 852 CB CYS A 57 -0.748 3.497 10.389 1.00 0.00 C ATOM 853 SG CYS A 57 -1.004 4.677 11.745 1.00 0.00 S ATOM 0 H CYS A 57 -1.362 2.006 8.100 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.878 3.433 10.210 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.472 2.524 10.794 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.080 3.829 9.763 1.00 0.00 H new ATOM 0 HG CYS A 57 0.084 4.771 12.450 1.00 0.00 H new ATOM 859 N LEU A 58 -2.501 5.703 9.036 1.00 0.00 N ATOM 860 CA LEU A 58 -2.678 6.927 8.257 1.00 0.00 C ATOM 861 C LEU A 58 -1.320 7.603 8.105 1.00 0.00 C ATOM 862 O LEU A 58 -0.508 7.582 9.036 1.00 0.00 O ATOM 863 CB LEU A 58 -3.633 7.913 8.964 1.00 0.00 C ATOM 864 CG LEU A 58 -5.117 7.519 8.968 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.991 8.599 9.613 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.659 7.340 7.560 1.00 0.00 C ATOM 0 H LEU A 58 -2.647 5.845 10.035 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.105 6.662 7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.305 8.030 9.997 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.537 8.888 8.487 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.160 6.586 9.530 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.034 8.282 9.596 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.676 8.754 10.645 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.886 9.531 9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.712 7.062 7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.556 8.275 7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.099 6.555 7.052 1.00 0.00 H new ATOM 878 N LEU A 59 -1.075 8.209 6.947 1.00 0.00 N ATOM 879 CA LEU A 59 0.173 8.909 6.663 1.00 0.00 C ATOM 880 C LEU A 59 0.065 10.399 6.976 1.00 0.00 C ATOM 881 O LEU A 59 -1.025 10.975 7.057 1.00 0.00 O ATOM 882 CB LEU A 59 0.551 8.764 5.177 1.00 0.00 C ATOM 883 CG LEU A 59 0.906 7.335 4.741 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.238 7.314 3.252 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.136 6.814 5.486 1.00 0.00 C ATOM 0 H LEU A 59 -1.741 8.228 6.175 1.00 0.00 H new ATOM 0 HA LEU A 59 0.937 8.458 7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.281 9.119 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.400 9.415 4.967 1.00 0.00 H new ATOM 0 HG LEU A 59 0.044 6.707 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.489 6.297 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.376 7.660 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.087 7.970 3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.360 5.800 5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.988 7.461 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.937 6.809 6.558 1.00 0.00 H new ATOM 897 N LYS A 60 1.226 11.043 7.117 1.00 0.00 N ATOM 898 CA LYS A 60 1.324 12.475 7.371 1.00 0.00 C ATOM 899 C LYS A 60 0.799 13.175 6.127 1.00 0.00 C ATOM 900 O LYS A 60 1.245 12.864 5.016 1.00 0.00 O ATOM 901 CB LYS A 60 2.779 12.875 7.643 1.00 0.00 C ATOM 902 CG LYS A 60 3.123 12.579 9.102 1.00 0.00 C ATOM 903 CD LYS A 60 4.563 12.963 9.455 1.00 0.00 C ATOM 904 CE LYS A 60 4.650 13.412 10.916 1.00 0.00 C ATOM 905 NZ LYS A 60 4.260 12.363 11.879 1.00 0.00 N ATOM 0 H LYS A 60 2.131 10.577 7.057 1.00 0.00 H new ATOM 0 HA LYS A 60 0.745 12.757 8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.448 12.325 6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.922 13.935 7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.436 13.122 9.751 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.975 11.517 9.299 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.225 12.113 9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.904 13.765 8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.671 13.729 11.130 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.009 14.282 11.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.422 12.704 12.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.253 12.136 11.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.830 11.509 11.712 1.00 0.00 H new ATOM 919 N GLY A 61 -0.129 14.108 6.295 1.00 0.00 N ATOM 920 CA GLY A 61 -0.726 14.837 5.189 1.00 0.00 C ATOM 921 C GLY A 61 -1.914 14.099 4.583 1.00 0.00 C ATOM 922 O GLY A 61 -2.465 14.580 3.596 1.00 0.00 O ATOM 0 H GLY A 61 -0.489 14.380 7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.050 15.818 5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.027 15.004 4.418 1.00 0.00 H new ATOM 926 N ASN A 62 -2.263 12.926 5.124 1.00 0.00 N ATOM 927 CA ASN A 62 -3.353 12.013 4.784 1.00 0.00 C ATOM 928 C ASN A 62 -3.517 11.587 3.315 1.00 0.00 C ATOM 929 O ASN A 62 -4.311 10.682 3.075 1.00 0.00 O ATOM 930 CB ASN A 62 -4.667 12.560 5.373 1.00 0.00 C ATOM 931 CG ASN A 62 -4.643 12.555 6.899 1.00 0.00 C ATOM 932 OD1 ASN A 62 -4.079 13.437 7.540 1.00 0.00 O ATOM 933 ND2 ASN A 62 -5.209 11.546 7.533 1.00 0.00 N ATOM 0 H ASN A 62 -1.721 12.553 5.903 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.065 11.067 5.242 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.832 13.576 5.014 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.504 11.957 5.020 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.177 11.501 8.552 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.679 10.811 7.005 1.00 0.00 H new ATOM 940 N MET A 63 -2.730 12.120 2.372 1.00 0.00 N ATOM 941 CA MET A 63 -2.732 11.874 0.922 1.00 0.00 C ATOM 942 C MET A 63 -2.612 10.410 0.467 1.00 0.00 C ATOM 943 O MET A 63 -2.832 10.113 -0.711 1.00 0.00 O ATOM 944 CB MET A 63 -1.617 12.718 0.272 1.00 0.00 C ATOM 945 CG MET A 63 -2.053 14.163 -0.004 1.00 0.00 C ATOM 946 SD MET A 63 -2.596 14.543 -1.700 1.00 0.00 S ATOM 947 CE MET A 63 -3.689 13.153 -2.074 1.00 0.00 C ATOM 0 H MET A 63 -2.010 12.796 2.626 1.00 0.00 H new ATOM 0 HA MET A 63 -3.727 12.169 0.589 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.744 12.725 0.925 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.311 12.250 -0.664 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.868 14.409 0.677 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.221 14.823 0.243 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.170 13.318 -3.038 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.107 12.232 -2.111 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.450 13.070 -1.298 1.00 0.00 H new ATOM 957 N GLY A 64 -2.268 9.480 1.348 1.00 0.00 N ATOM 958 CA GLY A 64 -2.130 8.070 1.032 1.00 0.00 C ATOM 959 C GLY A 64 -2.129 7.276 2.326 1.00 0.00 C ATOM 960 O GLY A 64 -2.180 7.855 3.414 1.00 0.00 O ATOM 0 H GLY A 64 -2.073 9.694 2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.949 7.745 0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.206 7.895 0.481 1.00 0.00 H new ATOM 964 N VAL A 65 -2.060 5.954 2.237 1.00 0.00 N ATOM 965 CA VAL A 65 -2.060 5.059 3.388 1.00 0.00 C ATOM 966 C VAL A 65 -0.966 4.002 3.218 1.00 0.00 C ATOM 967 O VAL A 65 -0.501 3.756 2.097 1.00 0.00 O ATOM 968 CB VAL A 65 -3.472 4.453 3.578 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.501 5.504 4.018 1.00 0.00 C ATOM 970 CG2 VAL A 65 -4.013 3.753 2.320 1.00 0.00 C ATOM 0 H VAL A 65 -2.001 5.463 1.345 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.829 5.608 4.301 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.340 3.708 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.476 5.031 4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.191 5.942 4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.568 6.286 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.006 3.352 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.073 4.471 1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.344 2.939 2.040 1.00 0.00 H new ATOM 980 N CYS A 66 -0.557 3.364 4.319 1.00 0.00 N ATOM 981 CA CYS A 66 0.469 2.318 4.310 1.00 0.00 C ATOM 982 C CYS A 66 0.066 1.131 5.182 1.00 0.00 C ATOM 983 O CYS A 66 -0.752 1.286 6.098 1.00 0.00 O ATOM 984 CB CYS A 66 1.815 2.887 4.781 1.00 0.00 C ATOM 985 SG CYS A 66 1.689 3.597 6.456 1.00 0.00 S ATOM 0 H CYS A 66 -0.931 3.561 5.247 1.00 0.00 H new ATOM 0 HA CYS A 66 0.570 1.962 3.285 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.567 2.098 4.774 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.151 3.654 4.084 1.00 0.00 H new ATOM 0 HG CYS A 66 2.847 4.064 6.817 1.00 0.00 H new ATOM 991 N PHE A 67 0.659 -0.035 4.913 1.00 0.00 N ATOM 992 CA PHE A 67 0.443 -1.285 5.633 1.00 0.00 C ATOM 993 C PHE A 67 1.558 -2.287 5.304 1.00 0.00 C ATOM 994 O PHE A 67 2.402 -2.026 4.442 1.00 0.00 O ATOM 995 CB PHE A 67 -0.935 -1.862 5.280 1.00 0.00 C ATOM 996 CG PHE A 67 -1.214 -2.152 3.817 1.00 0.00 C ATOM 997 CD1 PHE A 67 -0.682 -3.293 3.191 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.110 -1.336 3.111 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.079 -3.632 1.886 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -2.539 -1.687 1.823 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.032 -2.845 1.219 1.00 0.00 C ATOM 0 H PHE A 67 1.332 -0.134 4.153 1.00 0.00 H new ATOM 0 HA PHE A 67 0.469 -1.089 6.705 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.066 -2.789 5.838 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.694 -1.165 5.636 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.033 -3.910 3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.474 -0.426 3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.652 -4.495 1.397 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.255 -1.069 1.301 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.375 -3.134 0.237 1.00 0.00 H new ATOM 1011 N ASP A 68 1.557 -3.436 5.986 1.00 0.00 N ATOM 1012 CA ASP A 68 2.515 -4.534 5.815 1.00 0.00 C ATOM 1013 C ASP A 68 1.728 -5.779 5.387 1.00 0.00 C ATOM 1014 O ASP A 68 0.560 -5.938 5.755 1.00 0.00 O ATOM 1015 CB ASP A 68 3.300 -4.820 7.114 1.00 0.00 C ATOM 1016 CG ASP A 68 4.582 -3.997 7.282 1.00 0.00 C ATOM 1017 OD1 ASP A 68 5.451 -3.992 6.384 1.00 0.00 O ATOM 1018 OD2 ASP A 68 4.777 -3.419 8.383 1.00 0.00 O ATOM 0 H ASP A 68 0.859 -3.636 6.703 1.00 0.00 H new ATOM 0 HA ASP A 68 3.249 -4.257 5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.648 -4.629 7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.558 -5.879 7.141 1.00 0.00 H new ATOM 1023 N VAL A 69 2.376 -6.683 4.648 1.00 0.00 N ATOM 1024 CA VAL A 69 1.829 -7.938 4.117 1.00 0.00 C ATOM 1025 C VAL A 69 2.905 -9.024 3.973 1.00 0.00 C ATOM 1026 O VAL A 69 4.093 -8.690 3.901 1.00 0.00 O ATOM 1027 CB VAL A 69 1.250 -7.707 2.698 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.104 -6.996 2.703 1.00 0.00 C ATOM 1029 CG2 VAL A 69 2.229 -6.927 1.802 1.00 0.00 C ATOM 0 H VAL A 69 3.354 -6.553 4.388 1.00 0.00 H new ATOM 0 HA VAL A 69 1.065 -8.262 4.824 1.00 0.00 H new ATOM 0 HB VAL A 69 1.099 -8.706 2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.451 -6.867 1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.827 -7.594 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.001 -6.020 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.786 -6.786 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.436 -5.955 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.159 -7.487 1.705 1.00 0.00 H new ATOM 1039 N PRO A 70 2.522 -10.315 3.909 1.00 0.00 N ATOM 1040 CA PRO A 70 3.485 -11.389 3.711 1.00 0.00 C ATOM 1041 C PRO A 70 4.020 -11.233 2.276 1.00 0.00 C ATOM 1042 O PRO A 70 3.259 -10.926 1.351 1.00 0.00 O ATOM 1043 CB PRO A 70 2.704 -12.690 3.915 1.00 0.00 C ATOM 1044 CG PRO A 70 1.264 -12.316 3.573 1.00 0.00 C ATOM 1045 CD PRO A 70 1.168 -10.853 4.000 1.00 0.00 C ATOM 0 HA PRO A 70 4.334 -11.378 4.394 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.075 -13.484 3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.790 -13.050 4.940 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.059 -12.439 2.510 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.549 -12.939 4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.485 -10.302 3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.782 -10.768 5.016 1.00 0.00 H new ATOM 1053 N THR A 71 5.316 -11.465 2.066 1.00 0.00 N ATOM 1054 CA THR A 71 5.944 -11.320 0.750 1.00 0.00 C ATOM 1055 C THR A 71 5.289 -12.145 -0.363 1.00 0.00 C ATOM 1056 O THR A 71 5.276 -11.728 -1.522 1.00 0.00 O ATOM 1057 CB THR A 71 7.454 -11.592 0.862 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.798 -12.690 1.697 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.152 -10.370 1.460 1.00 0.00 C ATOM 0 H THR A 71 5.960 -11.758 2.801 1.00 0.00 H new ATOM 0 HA THR A 71 5.785 -10.287 0.440 1.00 0.00 H new ATOM 0 HB THR A 71 7.772 -11.821 -0.155 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.772 -12.796 1.713 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.222 -10.564 1.539 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.987 -9.506 0.817 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.746 -10.168 2.451 1.00 0.00 H new ATOM 1067 N THR A 72 4.704 -13.289 -0.028 1.00 0.00 N ATOM 1068 CA THR A 72 4.054 -14.180 -0.969 1.00 0.00 C ATOM 1069 C THR A 72 2.806 -13.560 -1.617 1.00 0.00 C ATOM 1070 O THR A 72 2.545 -13.850 -2.788 1.00 0.00 O ATOM 1071 CB THR A 72 3.754 -15.518 -0.257 1.00 0.00 C ATOM 1072 OG1 THR A 72 3.567 -15.358 1.148 1.00 0.00 O ATOM 1073 CG2 THR A 72 4.938 -16.471 -0.429 1.00 0.00 C ATOM 0 H THR A 72 4.670 -13.628 0.934 1.00 0.00 H new ATOM 0 HA THR A 72 4.730 -14.364 -1.804 1.00 0.00 H new ATOM 0 HB THR A 72 2.840 -15.906 -0.707 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.378 -16.230 1.554 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.723 -17.413 0.075 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.105 -16.656 -1.490 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.832 -16.023 0.006 1.00 0.00 H new ATOM 1081 N GLU A 73 2.054 -12.698 -0.922 1.00 0.00 N ATOM 1082 CA GLU A 73 0.847 -12.100 -1.497 1.00 0.00 C ATOM 1083 C GLU A 73 1.140 -10.832 -2.309 1.00 0.00 C ATOM 1084 O GLU A 73 0.396 -10.534 -3.239 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.189 -11.789 -0.397 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.626 -12.129 -0.850 1.00 0.00 C ATOM 1087 CD GLU A 73 -1.957 -13.632 -0.789 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -1.357 -14.359 0.031 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -2.814 -14.118 -1.561 1.00 0.00 O ATOM 0 H GLU A 73 2.259 -12.402 0.032 1.00 0.00 H new ATOM 0 HA GLU A 73 0.437 -12.840 -2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.053 -12.357 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.132 -10.733 -0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.333 -11.585 -0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.768 -11.776 -1.871 1.00 0.00 H new ATOM 1096 N SER A 74 2.226 -10.106 -2.017 1.00 0.00 N ATOM 1097 CA SER A 74 2.588 -8.865 -2.696 1.00 0.00 C ATOM 1098 C SER A 74 2.605 -8.950 -4.229 1.00 0.00 C ATOM 1099 O SER A 74 2.106 -8.044 -4.898 1.00 0.00 O ATOM 1100 CB SER A 74 3.896 -8.318 -2.102 1.00 0.00 C ATOM 1101 OG SER A 74 3.642 -7.078 -1.475 1.00 0.00 O ATOM 0 H SER A 74 2.887 -10.373 -1.288 1.00 0.00 H new ATOM 0 HA SER A 74 1.788 -8.150 -2.505 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.305 -9.026 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.642 -8.195 -2.887 1.00 0.00 H new ATOM 0 HG SER A 74 4.492 -6.653 -1.235 1.00 0.00 H new ATOM 1107 N GLU A 75 3.141 -10.021 -4.813 1.00 0.00 N ATOM 1108 CA GLU A 75 3.177 -10.188 -6.270 1.00 0.00 C ATOM 1109 C GLU A 75 1.768 -10.350 -6.851 1.00 0.00 C ATOM 1110 O GLU A 75 1.520 -9.938 -7.988 1.00 0.00 O ATOM 1111 CB GLU A 75 4.031 -11.417 -6.622 1.00 0.00 C ATOM 1112 CG GLU A 75 5.481 -10.990 -6.851 1.00 0.00 C ATOM 1113 CD GLU A 75 6.460 -12.153 -6.736 1.00 0.00 C ATOM 1114 OE1 GLU A 75 6.415 -13.076 -7.577 1.00 0.00 O ATOM 1115 OE2 GLU A 75 7.282 -12.151 -5.789 1.00 0.00 O ATOM 0 H GLU A 75 3.560 -10.794 -4.296 1.00 0.00 H new ATOM 0 HA GLU A 75 3.617 -9.291 -6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.981 -12.149 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.639 -11.900 -7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.572 -10.540 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.748 -10.222 -6.126 1.00 0.00 H new ATOM 1122 N ARG A 76 0.860 -10.977 -6.095 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.519 -11.200 -6.515 1.00 0.00 C ATOM 1124 C ARG A 76 -1.310 -9.907 -6.398 1.00 0.00 C ATOM 1125 O ARG A 76 -2.076 -9.573 -7.294 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.234 -12.241 -5.637 1.00 0.00 C ATOM 1127 CG ARG A 76 -0.437 -13.461 -5.162 1.00 0.00 C ATOM 1128 CD ARG A 76 -1.365 -14.323 -4.292 1.00 0.00 C ATOM 1129 NE ARG A 76 -2.145 -15.295 -5.067 1.00 0.00 N ATOM 1130 CZ ARG A 76 -1.700 -16.461 -5.548 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -0.427 -16.815 -5.391 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -2.539 -17.264 -6.190 1.00 0.00 N ATOM 0 H ARG A 76 1.068 -11.345 -5.167 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.475 -11.559 -7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.613 -11.727 -4.754 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.100 -12.604 -6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.073 -14.034 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.437 -13.147 -4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.768 -14.854 -3.551 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.047 -13.673 -3.745 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.119 -15.059 -5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.218 -16.195 -4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.096 -17.706 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.514 -16.990 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.209 -18.155 -6.560 1.00 0.00 H new ATOM 1146 N LEU A 77 -1.114 -9.183 -5.294 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.790 -7.928 -4.993 1.00 0.00 C ATOM 1148 C LEU A 77 -1.570 -6.942 -6.119 1.00 0.00 C ATOM 1149 O LEU A 77 -2.509 -6.280 -6.546 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.298 -7.375 -3.643 1.00 0.00 C ATOM 1151 CG LEU A 77 -2.194 -7.875 -2.498 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.507 -7.748 -1.147 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.468 -7.037 -2.437 1.00 0.00 C ATOM 0 H LEU A 77 -0.459 -9.466 -4.565 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.863 -8.101 -4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.268 -7.686 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.302 -6.285 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.413 -8.924 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.173 -8.112 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.591 -8.339 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.264 -6.702 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.100 -7.395 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.209 -5.993 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.006 -7.124 -3.381 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.342 -6.877 -6.625 1.00 0.00 N ATOM 1166 CA GLN A 78 0.013 -5.996 -7.722 1.00 0.00 C ATOM 1167 C GLN A 78 -0.806 -6.311 -8.979 1.00 0.00 C ATOM 1168 O GLN A 78 -1.071 -5.396 -9.755 1.00 0.00 O ATOM 1169 CB GLN A 78 1.502 -6.174 -8.000 1.00 0.00 C ATOM 1170 CG GLN A 78 2.353 -5.409 -6.986 1.00 0.00 C ATOM 1171 CD GLN A 78 3.815 -5.781 -7.168 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.459 -5.370 -8.132 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.364 -6.589 -6.282 1.00 0.00 N ATOM 0 H GLN A 78 0.436 -7.439 -6.280 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.206 -4.964 -7.449 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.756 -7.233 -7.965 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.730 -5.824 -9.007 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.220 -4.335 -7.120 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.030 -5.646 -5.972 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.817 -6.922 -5.488 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.335 -6.881 -6.391 1.00 0.00 H new ATOM 1182 N ALA A 79 -1.159 -7.581 -9.204 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.943 -7.999 -10.356 1.00 0.00 C ATOM 1184 C ALA A 79 -3.433 -7.741 -10.106 1.00 0.00 C ATOM 1185 O ALA A 79 -4.127 -7.320 -11.030 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.654 -9.469 -10.671 1.00 0.00 C ATOM 0 H ALA A 79 -0.903 -8.349 -8.583 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.658 -7.411 -11.229 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.243 -9.779 -11.534 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.594 -9.592 -10.892 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.919 -10.084 -9.811 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.925 -7.943 -8.879 1.00 0.00 N ATOM 1193 CA GLU A 80 -5.332 -7.710 -8.546 1.00 0.00 C ATOM 1194 C GLU A 80 -5.633 -6.207 -8.590 1.00 0.00 C ATOM 1195 O GLU A 80 -6.759 -5.801 -8.894 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.683 -8.290 -7.160 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.703 -9.826 -7.169 1.00 0.00 C ATOM 1198 CD GLU A 80 -6.272 -10.439 -5.887 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -7.497 -10.314 -5.638 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -5.538 -11.177 -5.188 1.00 0.00 O ATOM 0 H GLU A 80 -3.362 -8.271 -8.094 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.949 -8.222 -9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.957 -7.941 -6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.658 -7.916 -6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.294 -10.168 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.688 -10.193 -7.318 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.629 -5.374 -8.295 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.772 -3.931 -8.308 1.00 0.00 C ATOM 1209 C TRP A 81 -4.911 -3.460 -9.754 1.00 0.00 C ATOM 1210 O TRP A 81 -3.958 -3.495 -10.532 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.623 -3.240 -7.562 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.023 -1.903 -7.011 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.572 -0.686 -7.393 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.026 -1.653 -5.987 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.302 0.300 -6.744 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.234 -0.247 -5.877 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.816 -2.494 -5.177 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.224 0.286 -5.029 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.788 -1.967 -4.312 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -6.998 -0.580 -4.237 1.00 0.00 C ATOM 0 H TRP A 81 -3.694 -5.692 -8.041 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.676 -3.649 -7.768 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.285 -3.880 -6.747 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.778 -3.113 -8.239 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.769 -0.509 -8.094 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.169 1.301 -6.887 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.671 -3.563 -5.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.387 1.353 -4.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.379 -2.633 -3.700 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.751 -0.181 -3.574 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.127 -3.086 -10.132 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.546 -2.586 -11.432 1.00 0.00 C ATOM 1233 C HIS A 82 -7.896 -1.879 -11.234 1.00 0.00 C ATOM 1234 O HIS A 82 -8.626 -2.219 -10.296 1.00 0.00 O ATOM 1235 CB HIS A 82 -6.697 -3.774 -12.401 1.00 0.00 C ATOM 1236 CG HIS A 82 -6.811 -3.358 -13.843 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -5.759 -3.106 -14.694 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -7.969 -3.157 -14.542 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -6.274 -2.741 -15.878 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -7.621 -2.760 -15.838 1.00 0.00 N ATOM 0 H HIS A 82 -6.910 -3.129 -9.480 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.816 -1.892 -11.849 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.839 -4.437 -12.288 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.581 -4.348 -12.125 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -8.972 -3.282 -14.162 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -5.689 -2.469 -16.744 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.259 -2.531 -16.600 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.283 -0.996 -12.153 1.00 0.00 N ATOM 1249 CA ASP A 83 -9.533 -0.226 -12.143 1.00 0.00 C ATOM 1250 C ASP A 83 -9.733 0.559 -10.836 1.00 0.00 C ATOM 1251 O ASP A 83 -10.734 0.378 -10.143 1.00 0.00 O ATOM 1252 CB ASP A 83 -10.721 -1.138 -12.517 1.00 0.00 C ATOM 1253 CG ASP A 83 -12.030 -0.369 -12.727 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -12.009 0.619 -13.491 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -13.089 -0.819 -12.215 1.00 0.00 O ATOM 0 H ASP A 83 -7.706 -0.785 -12.967 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.471 0.546 -12.910 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.478 -1.685 -13.428 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.864 -1.878 -11.730 1.00 0.00 H new ATOM 1260 N SER A 84 -8.741 1.372 -10.456 1.00 0.00 N ATOM 1261 CA SER A 84 -8.724 2.224 -9.279 1.00 0.00 C ATOM 1262 C SER A 84 -7.828 3.417 -9.619 1.00 0.00 C ATOM 1263 O SER A 84 -6.814 3.237 -10.297 1.00 0.00 O ATOM 1264 CB SER A 84 -8.181 1.468 -8.057 1.00 0.00 C ATOM 1265 OG SER A 84 -7.111 0.600 -8.381 1.00 0.00 O ATOM 0 H SER A 84 -7.881 1.452 -10.999 1.00 0.00 H new ATOM 0 HA SER A 84 -9.732 2.549 -9.022 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.846 2.187 -7.310 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.987 0.891 -7.605 1.00 0.00 H new ATOM 0 HG SER A 84 -6.597 0.398 -7.571 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.128 4.606 -9.104 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.333 5.816 -9.359 1.00 0.00 C ATOM 1273 C ASP A 85 -5.993 5.811 -8.608 1.00 0.00 C ATOM 1274 O ASP A 85 -5.059 6.521 -8.973 1.00 0.00 O ATOM 1275 CB ASP A 85 -8.065 7.055 -8.790 1.00 0.00 C ATOM 1276 CG ASP A 85 -9.410 7.399 -9.409 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -10.442 6.877 -8.906 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -9.437 8.271 -10.307 1.00 0.00 O ATOM 0 H ASP A 85 -8.931 4.764 -8.495 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.185 5.843 -10.439 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.212 6.902 -7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.409 7.918 -8.901 1.00 0.00 H new ATOM 1283 N TRP A 86 -5.922 5.032 -7.532 1.00 0.00 N ATOM 1284 CA TRP A 86 -4.782 4.955 -6.627 1.00 0.00 C ATOM 1285 C TRP A 86 -3.542 4.223 -7.143 1.00 0.00 C ATOM 1286 O TRP A 86 -3.639 3.195 -7.829 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.240 4.338 -5.302 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.430 4.947 -4.604 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -7.704 4.967 -5.067 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -6.517 5.442 -3.228 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.545 5.483 -4.110 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -7.882 5.729 -2.934 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -5.603 5.596 -2.165 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.330 6.061 -1.647 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -6.038 5.906 -0.865 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -7.401 6.119 -0.601 1.00 0.00 C ATOM 0 H TRP A 86 -6.686 4.415 -7.257 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.446 5.985 -6.511 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.463 3.287 -5.484 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.397 4.370 -4.611 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.013 4.627 -6.045 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.539 5.661 -4.256 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -4.547 5.473 -2.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -9.374 6.268 -1.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.319 5.981 -0.063 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -7.732 6.327 0.406 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.370 4.741 -6.761 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.076 4.189 -7.134 1.00 0.00 C ATOM 1309 C ILE A 87 -0.627 3.229 -6.033 1.00 0.00 C ATOM 1310 O ILE A 87 -0.587 3.613 -4.864 1.00 0.00 O ATOM 1311 CB ILE A 87 0.003 5.278 -7.346 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -0.435 6.435 -8.270 1.00 0.00 C ATOM 1313 CG2 ILE A 87 1.238 4.598 -7.960 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -0.984 7.635 -7.497 1.00 0.00 C ATOM 0 H ILE A 87 -2.300 5.571 -6.173 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.192 3.673 -8.087 1.00 0.00 H new ATOM 0 HB ILE A 87 0.204 5.726 -6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.415 6.755 -8.872 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.197 6.074 -8.961 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.019 5.341 -8.122 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.605 3.828 -7.281 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.967 4.143 -8.912 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.276 8.417 -8.198 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.853 7.327 -6.915 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.215 8.018 -6.826 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.236 2.013 -6.415 1.00 0.00 N ATOM 1327 CA LEU A 88 0.250 0.953 -5.540 1.00 0.00 C ATOM 1328 C LEU A 88 1.749 0.801 -5.789 1.00 0.00 C ATOM 1329 O LEU A 88 2.158 0.427 -6.897 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.510 -0.353 -5.837 1.00 0.00 C ATOM 1331 CG LEU A 88 0.009 -1.574 -5.053 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.033 -1.322 -3.544 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.846 -2.799 -5.387 1.00 0.00 C ATOM 0 H LEU A 88 -0.252 1.729 -7.395 1.00 0.00 H new ATOM 0 HA LEU A 88 0.080 1.195 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.565 -0.208 -5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.444 -0.565 -6.904 1.00 0.00 H new ATOM 0 HG LEU A 88 1.045 -1.750 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.339 -2.201 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.592 -0.462 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.060 -1.123 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.478 -3.662 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.883 -2.605 -5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.787 -3.003 -6.456 1.00 0.00 H new ATOM 1345 N SER A 89 2.568 1.085 -4.779 1.00 0.00 N ATOM 1346 CA SER A 89 4.023 0.995 -4.851 1.00 0.00 C ATOM 1347 C SER A 89 4.581 0.372 -3.570 1.00 0.00 C ATOM 1348 O SER A 89 3.964 0.475 -2.501 1.00 0.00 O ATOM 1349 CB SER A 89 4.617 2.374 -5.173 1.00 0.00 C ATOM 1350 OG SER A 89 3.937 3.432 -4.525 1.00 0.00 O ATOM 0 H SER A 89 2.230 1.391 -3.867 1.00 0.00 H new ATOM 0 HA SER A 89 4.318 0.332 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.666 2.389 -4.879 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.586 2.535 -6.251 1.00 0.00 H new ATOM 0 HG SER A 89 4.357 4.285 -4.763 1.00 0.00 H new ATOM 1356 N VAL A 90 5.758 -0.250 -3.691 1.00 0.00 N ATOM 1357 CA VAL A 90 6.470 -0.942 -2.628 1.00 0.00 C ATOM 1358 C VAL A 90 7.755 -0.198 -2.222 1.00 0.00 C ATOM 1359 O VAL A 90 8.719 -0.168 -2.997 1.00 0.00 O ATOM 1360 CB VAL A 90 6.696 -2.422 -3.011 1.00 0.00 C ATOM 1361 CG1 VAL A 90 7.238 -2.659 -4.430 1.00 0.00 C ATOM 1362 CG2 VAL A 90 7.586 -3.141 -1.991 1.00 0.00 C ATOM 0 H VAL A 90 6.259 -0.282 -4.579 1.00 0.00 H new ATOM 0 HA VAL A 90 5.852 -0.944 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 90 5.693 -2.848 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.361 -3.729 -4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.536 -2.255 -5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.202 -2.161 -4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.722 -4.179 -2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.556 -2.647 -1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.113 -3.109 -1.009 1.00 0.00 H new ATOM 1372 N PRO A 91 7.780 0.440 -1.040 1.00 0.00 N ATOM 1373 CA PRO A 91 8.937 1.150 -0.510 1.00 0.00 C ATOM 1374 C PRO A 91 9.872 0.123 0.163 1.00 0.00 C ATOM 1375 O PRO A 91 9.874 -1.059 -0.193 1.00 0.00 O ATOM 1376 CB PRO A 91 8.303 2.126 0.488 1.00 0.00 C ATOM 1377 CG PRO A 91 7.184 1.303 1.118 1.00 0.00 C ATOM 1378 CD PRO A 91 6.694 0.481 -0.067 1.00 0.00 C ATOM 0 HA PRO A 91 9.548 1.674 -1.245 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.023 2.464 1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.917 3.016 -0.009 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.548 0.673 1.930 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.397 1.933 1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.422 -0.526 0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 91 5.802 0.930 -0.504 1.00 0.00 H new