USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 523 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 25 HIS : no HD1:sc= -7.69! X(o=-14!,f=-14) USER MOD Set 1.2: A 57 CYS SG : rot 4:sc= -1.21 USER MOD Set 1.3: A 60 CYS SG : rot -44:sc= -1.33 USER MOD Set 1.4: A 79 CYS SG : rot 98:sc= -4.14! USER MOD Set 2.1: A 38 CYS SG : rot -132:sc= -1.07 USER MOD Set 2.2: A 41 CYS SG : rot 180:sc= -0.959 USER MOD Set 2.3: A 64 CYS SG : rot 34:sc= 0.56 USER MOD Set 2.4: A 65 HIS : no HE2:sc= -9.4! K(o=-20!,f=-13) USER MOD Set 2.5: A 68 HIS : no HD1:sc= -9.53! C(o=-20!,f=-17!) USER MOD Set 3.1: A 22 HIS : no HE2:sc= -0.675 K(o=-4.5,f=-7.2) USER MOD Set 3.2: A 69 MET CE :methyl -114:sc= -3.87 (180deg=-6.6!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 160:sc= 0.00294 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 32 TYR OH : rot -40:sc= -2.31 USER MOD Single : A 33 HIS : no HE2:sc= -0.703 X(o=-0.7,f=-0.62) USER MOD Single : A 36 THR OG1 : rot 166:sc= 0.228 USER MOD Single : A 37 ASN : amide:sc= -0.66 K(o=-0.66,f=-3.1!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 48 MET CE :methyl -133:sc= 0 (180deg=-0.0466) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0875 X(o=-0.087,f=-0.022) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 267 N ASN A 18 7.135 -2.638 8.360 1.00 0.00 N ATOM 268 CA ASN A 18 6.154 -3.367 9.155 1.00 0.00 C ATOM 269 C ASN A 18 4.968 -3.788 8.295 1.00 0.00 C ATOM 270 O ASN A 18 4.882 -3.429 7.123 1.00 0.00 O ATOM 271 CB ASN A 18 5.677 -2.506 10.329 1.00 0.00 C ATOM 272 CG ASN A 18 6.032 -3.113 11.673 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.400 -4.069 12.122 1.00 0.00 O ATOM 274 ND2 ASN A 18 7.048 -2.557 12.322 1.00 0.00 N ATOM 0 HA ASN A 18 6.630 -4.265 9.547 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.122 -1.514 10.253 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.597 -2.377 10.266 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.333 -2.921 13.231 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.544 -1.766 11.911 1.00 0.00 H new ATOM 281 N TYR A 19 4.055 -4.557 8.882 1.00 0.00 N ATOM 282 CA TYR A 19 2.879 -5.026 8.158 1.00 0.00 C ATOM 283 C TYR A 19 1.609 -4.832 8.981 1.00 0.00 C ATOM 284 O TYR A 19 1.473 -5.380 10.075 1.00 0.00 O ATOM 285 CB TYR A 19 3.023 -6.503 7.769 1.00 0.00 C ATOM 286 CG TYR A 19 4.432 -7.043 7.896 1.00 0.00 C ATOM 287 CD1 TYR A 19 5.405 -6.732 6.953 1.00 0.00 C ATOM 288 CD2 TYR A 19 4.787 -7.867 8.956 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.690 -7.226 7.064 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.071 -8.364 9.075 1.00 0.00 C ATOM 291 CZ TYR A 19 7.018 -8.041 8.127 1.00 0.00 C ATOM 292 OH TYR A 19 8.298 -8.534 8.241 1.00 0.00 O ATOM 0 H TYR A 19 4.107 -4.867 9.852 1.00 0.00 H new ATOM 0 HA TYR A 19 2.800 -4.429 7.249 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.360 -7.099 8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.688 -6.630 6.740 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.152 -6.093 6.120 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.047 -8.124 9.700 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.434 -6.975 6.322 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.331 -9.002 9.907 1.00 0.00 H new ATOM 0 HH TYR A 19 8.364 -9.090 9.045 1.00 0.00 H new ATOM 302 N ILE A 20 0.678 -4.056 8.438 1.00 0.00 N ATOM 303 CA ILE A 20 -0.589 -3.790 9.102 1.00 0.00 C ATOM 304 C ILE A 20 -1.514 -4.999 8.992 1.00 0.00 C ATOM 305 O ILE A 20 -2.031 -5.303 7.917 1.00 0.00 O ATOM 306 CB ILE A 20 -1.284 -2.551 8.490 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.429 -1.304 8.709 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.674 -2.349 9.077 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.627 -1.100 7.646 1.00 0.00 C ATOM 0 H ILE A 20 0.780 -3.598 7.533 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.379 -3.592 10.153 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.395 -2.722 7.419 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.078 -0.429 8.737 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.056 -1.373 9.683 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.135 -1.470 8.626 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.287 -3.227 8.871 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.596 -2.205 10.155 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.195 -0.196 7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.300 -1.957 7.632 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.148 -0.999 6.672 1.00 0.00 H new ATOM 321 N CYS A 21 -1.714 -5.684 10.113 1.00 0.00 N ATOM 322 CA CYS A 21 -2.574 -6.860 10.148 1.00 0.00 C ATOM 323 C CYS A 21 -4.045 -6.458 10.153 1.00 0.00 C ATOM 324 O CYS A 21 -4.452 -5.560 10.889 1.00 0.00 O ATOM 325 CB CYS A 21 -2.261 -7.711 11.381 1.00 0.00 C ATOM 326 SG CYS A 21 -2.180 -9.486 11.051 1.00 0.00 S ATOM 0 H CYS A 21 -1.291 -5.444 11.010 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.380 -7.448 9.251 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.309 -7.387 11.801 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.023 -7.528 12.139 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.908 -10.120 12.153 1.00 0.00 H new ATOM 332 N HIS A 22 -4.837 -7.131 9.324 1.00 0.00 N ATOM 333 CA HIS A 22 -6.262 -6.846 9.230 1.00 0.00 C ATOM 334 C HIS A 22 -7.027 -8.072 8.744 1.00 0.00 C ATOM 335 O HIS A 22 -6.444 -9.138 8.546 1.00 0.00 O ATOM 336 CB HIS A 22 -6.504 -5.664 8.286 1.00 0.00 C ATOM 337 CG HIS A 22 -7.672 -4.814 8.673 1.00 0.00 C ATOM 338 ND1 HIS A 22 -8.304 -3.958 7.796 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.325 -4.689 9.853 1.00 0.00 C ATOM 340 CE1 HIS A 22 -9.295 -3.343 8.419 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.329 -3.770 9.668 1.00 0.00 N ATOM 0 H HIS A 22 -4.515 -7.877 8.708 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.626 -6.585 10.224 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.608 -5.044 8.258 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.661 -6.043 7.276 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -8.047 -3.821 6.819 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.098 -5.214 10.769 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.963 -2.616 7.981 1.00 0.00 H new ATOM 350 N LYS A 23 -8.335 -7.917 8.554 1.00 0.00 N ATOM 351 CA LYS A 23 -9.185 -9.013 8.091 1.00 0.00 C ATOM 352 C LYS A 23 -8.599 -9.679 6.850 1.00 0.00 C ATOM 353 O LYS A 23 -8.866 -9.259 5.727 1.00 0.00 O ATOM 354 CB LYS A 23 -10.589 -8.498 7.776 1.00 0.00 C ATOM 355 CG LYS A 23 -10.596 -7.145 7.084 1.00 0.00 C ATOM 356 CD LYS A 23 -11.805 -6.985 6.175 1.00 0.00 C ATOM 357 CE LYS A 23 -13.108 -7.138 6.943 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.855 -5.853 7.037 1.00 0.00 N ATOM 0 H LYS A 23 -8.831 -7.040 8.714 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.238 -9.752 8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.100 -9.224 7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.158 -8.426 8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.596 -6.353 7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.683 -7.030 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.776 -6.005 5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.762 -7.728 5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.732 -7.885 6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.896 -7.508 7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.854 -6.047 7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.446 -5.268 7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.788 -5.345 6.132 1.00 0.00 H new ATOM 372 N GLY A 24 -7.796 -10.715 7.060 1.00 0.00 N ATOM 373 CA GLY A 24 -7.188 -11.415 5.942 1.00 0.00 C ATOM 374 C GLY A 24 -6.325 -10.513 5.084 1.00 0.00 C ATOM 375 O GLY A 24 -5.965 -10.879 3.967 1.00 0.00 O ATOM 0 H GLY A 24 -7.555 -11.083 7.980 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.581 -12.238 6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.972 -11.855 5.325 1.00 0.00 H new ATOM 379 N HIS A 25 -5.991 -9.330 5.597 1.00 0.00 N ATOM 380 CA HIS A 25 -5.171 -8.389 4.849 1.00 0.00 C ATOM 381 C HIS A 25 -3.952 -7.933 5.643 1.00 0.00 C ATOM 382 O HIS A 25 -4.043 -7.624 6.831 1.00 0.00 O ATOM 383 CB HIS A 25 -6.004 -7.176 4.416 1.00 0.00 C ATOM 384 CG HIS A 25 -6.062 -7.029 2.931 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.968 -6.242 2.248 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.304 -7.625 1.992 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.728 -6.397 0.934 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.724 -7.230 0.740 1.00 0.00 N ATOM 0 H HIS A 25 -6.275 -9.005 6.521 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.810 -8.911 3.963 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.016 -7.274 4.809 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.579 -6.272 4.852 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.491 -8.308 2.189 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.281 -5.907 0.146 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.336 -7.523 -0.157 1.00 0.00 H new ATOM 396 N GLU A 26 -2.809 -7.882 4.961 1.00 0.00 N ATOM 397 CA GLU A 26 -1.560 -7.451 5.574 1.00 0.00 C ATOM 398 C GLU A 26 -0.956 -6.303 4.772 1.00 0.00 C ATOM 399 O GLU A 26 -0.090 -6.511 3.922 1.00 0.00 O ATOM 400 CB GLU A 26 -0.573 -8.619 5.656 1.00 0.00 C ATOM 401 CG GLU A 26 -0.144 -8.954 7.074 1.00 0.00 C ATOM 402 CD GLU A 26 0.651 -10.242 7.156 1.00 0.00 C ATOM 403 OE1 GLU A 26 1.735 -10.311 6.540 1.00 0.00 O ATOM 404 OE2 GLU A 26 0.188 -11.183 7.834 1.00 0.00 O ATOM 0 H GLU A 26 -2.725 -8.136 3.977 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.767 -7.104 6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.028 -9.501 5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.311 -8.379 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.457 -8.135 7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.028 -9.036 7.707 1.00 0.00 H new ATOM 411 N PHE A 27 -1.434 -5.094 5.040 1.00 0.00 N ATOM 412 CA PHE A 27 -0.958 -3.908 4.336 1.00 0.00 C ATOM 413 C PHE A 27 0.444 -3.524 4.783 1.00 0.00 C ATOM 414 O PHE A 27 0.906 -3.941 5.841 1.00 0.00 O ATOM 415 CB PHE A 27 -1.916 -2.733 4.545 1.00 0.00 C ATOM 416 CG PHE A 27 -3.366 -3.127 4.525 1.00 0.00 C ATOM 417 CD1 PHE A 27 -4.046 -3.252 3.325 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.049 -3.371 5.707 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.381 -3.612 3.301 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.383 -3.734 5.690 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.050 -3.854 4.485 1.00 0.00 C ATOM 0 H PHE A 27 -2.152 -4.908 5.740 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.923 -4.149 3.274 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.691 -2.257 5.499 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.740 -1.989 3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.527 -3.066 2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.533 -3.276 6.651 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.900 -3.704 2.358 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.903 -3.924 6.617 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.092 -4.136 4.469 1.00 0.00 H new ATOM 431 N ILE A 28 1.124 -2.741 3.957 1.00 0.00 N ATOM 432 CA ILE A 28 2.481 -2.309 4.255 1.00 0.00 C ATOM 433 C ILE A 28 2.619 -0.797 4.110 1.00 0.00 C ATOM 434 O ILE A 28 2.174 -0.218 3.122 1.00 0.00 O ATOM 435 CB ILE A 28 3.499 -2.998 3.329 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.151 -4.484 3.166 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.910 -2.818 3.869 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.582 -5.349 4.332 1.00 0.00 C ATOM 0 H ILE A 28 0.756 -2.391 3.072 1.00 0.00 H new ATOM 0 HA ILE A 28 2.688 -2.591 5.287 1.00 0.00 H new ATOM 0 HB ILE A 28 3.454 -2.532 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.074 -4.582 3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.620 -4.859 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.620 -3.310 3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.145 -1.755 3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.978 -3.259 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.300 -6.384 4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.663 -5.284 4.453 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.093 -5.002 5.242 1.00 0.00 H new ATOM 450 N PRO A 29 3.243 -0.136 5.100 1.00 0.00 N ATOM 451 CA PRO A 29 3.434 1.313 5.078 1.00 0.00 C ATOM 452 C PRO A 29 4.435 1.754 4.022 1.00 0.00 C ATOM 453 O PRO A 29 5.618 1.414 4.089 1.00 0.00 O ATOM 454 CB PRO A 29 3.965 1.625 6.475 1.00 0.00 C ATOM 455 CG PRO A 29 4.605 0.361 6.932 1.00 0.00 C ATOM 456 CD PRO A 29 3.807 -0.753 6.314 1.00 0.00 C ATOM 0 HA PRO A 29 2.511 1.837 4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.683 2.445 6.451 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.160 1.925 7.146 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.648 0.315 6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.597 0.290 8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.434 -1.612 6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.025 -1.107 6.985 1.00 0.00 H new ATOM 464 N THR A 30 3.958 2.520 3.050 1.00 0.00 N ATOM 465 CA THR A 30 4.813 3.013 1.983 1.00 0.00 C ATOM 466 C THR A 30 4.234 4.282 1.365 1.00 0.00 C ATOM 467 O THR A 30 3.073 4.620 1.594 1.00 0.00 O ATOM 468 CB THR A 30 4.990 1.943 0.906 1.00 0.00 C ATOM 469 OG1 THR A 30 5.876 2.390 -0.105 1.00 0.00 O ATOM 470 CG2 THR A 30 3.691 1.550 0.237 1.00 0.00 C ATOM 0 H THR A 30 2.983 2.812 2.980 1.00 0.00 H new ATOM 0 HA THR A 30 5.787 3.250 2.412 1.00 0.00 H new ATOM 0 HB THR A 30 5.392 1.073 1.425 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.977 1.690 -0.784 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.886 0.787 -0.517 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.002 1.154 0.984 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.247 2.425 -0.238 1.00 0.00 H new ATOM 478 N LEU A 31 5.047 4.979 0.578 1.00 0.00 N ATOM 479 CA LEU A 31 4.611 6.207 -0.074 1.00 0.00 C ATOM 480 C LEU A 31 4.504 6.005 -1.581 1.00 0.00 C ATOM 481 O LEU A 31 5.126 5.104 -2.142 1.00 0.00 O ATOM 482 CB LEU A 31 5.584 7.347 0.235 1.00 0.00 C ATOM 483 CG LEU A 31 5.710 7.709 1.715 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.524 8.982 1.886 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.334 7.867 2.347 1.00 0.00 C ATOM 0 H LEU A 31 6.011 4.714 0.377 1.00 0.00 H new ATOM 0 HA LEU A 31 3.626 6.469 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.570 7.075 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.267 8.234 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 31 6.230 6.897 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.603 9.224 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.522 8.834 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.032 9.802 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.445 8.125 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.787 8.659 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.783 6.931 2.258 1.00 0.00 H new ATOM 497 N TYR A 32 3.704 6.844 -2.232 1.00 0.00 N ATOM 498 CA TYR A 32 3.513 6.748 -3.673 1.00 0.00 C ATOM 499 C TYR A 32 3.602 8.119 -4.333 1.00 0.00 C ATOM 500 O TYR A 32 2.812 9.016 -4.038 1.00 0.00 O ATOM 501 CB TYR A 32 2.161 6.105 -3.982 1.00 0.00 C ATOM 502 CG TYR A 32 2.131 4.616 -3.726 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.829 3.737 -4.544 1.00 0.00 C ATOM 504 CD2 TYR A 32 1.407 4.088 -2.663 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.806 2.376 -4.313 1.00 0.00 C ATOM 506 CE2 TYR A 32 1.380 2.726 -2.425 1.00 0.00 C ATOM 507 CZ TYR A 32 2.082 1.876 -3.254 1.00 0.00 C ATOM 508 OH TYR A 32 2.057 0.520 -3.019 1.00 0.00 O ATOM 0 H TYR A 32 3.179 7.596 -1.785 1.00 0.00 H new ATOM 0 HA TYR A 32 4.309 6.124 -4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.392 6.586 -3.377 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.909 6.292 -5.026 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.400 4.125 -5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.857 4.752 -2.013 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.353 1.707 -4.960 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.813 2.330 -1.595 1.00 0.00 H new ATOM 0 HH TYR A 32 1.995 0.041 -3.872 1.00 0.00 H new ATOM 518 N HIS A 33 4.567 8.271 -5.234 1.00 0.00 N ATOM 519 CA HIS A 33 4.761 9.530 -5.944 1.00 0.00 C ATOM 520 C HIS A 33 4.006 9.532 -7.273 1.00 0.00 C ATOM 521 O HIS A 33 3.847 10.578 -7.903 1.00 0.00 O ATOM 522 CB HIS A 33 6.251 9.776 -6.190 1.00 0.00 C ATOM 523 CG HIS A 33 6.889 10.655 -5.160 1.00 0.00 C ATOM 524 ND1 HIS A 33 6.389 11.892 -4.812 1.00 0.00 N ATOM 525 CD2 HIS A 33 7.993 10.471 -4.399 1.00 0.00 C ATOM 526 CE1 HIS A 33 7.158 12.431 -3.883 1.00 0.00 C ATOM 527 NE2 HIS A 33 8.138 11.588 -3.614 1.00 0.00 N ATOM 0 H HIS A 33 5.228 7.537 -5.490 1.00 0.00 H new ATOM 0 HA HIS A 33 4.364 10.332 -5.322 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.771 8.818 -6.211 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.379 10.230 -7.173 1.00 0.00 H new ATOM 0 HD1 HIS A 33 5.555 12.324 -5.210 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.640 9.606 -4.408 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.010 13.396 -3.422 1.00 0.00 H new ATOM 536 N PHE A 34 3.539 8.359 -7.693 1.00 0.00 N ATOM 537 CA PHE A 34 2.800 8.233 -8.945 1.00 0.00 C ATOM 538 C PHE A 34 1.313 8.026 -8.673 1.00 0.00 C ATOM 539 O PHE A 34 0.922 7.653 -7.567 1.00 0.00 O ATOM 540 CB PHE A 34 3.349 7.075 -9.785 1.00 0.00 C ATOM 541 CG PHE A 34 3.793 5.890 -8.976 1.00 0.00 C ATOM 542 CD1 PHE A 34 2.886 4.918 -8.588 1.00 0.00 C ATOM 543 CD2 PHE A 34 5.121 5.745 -8.607 1.00 0.00 C ATOM 544 CE1 PHE A 34 3.293 3.826 -7.847 1.00 0.00 C ATOM 545 CE2 PHE A 34 5.536 4.654 -7.866 1.00 0.00 C ATOM 546 CZ PHE A 34 4.620 3.694 -7.485 1.00 0.00 C ATOM 0 H PHE A 34 3.659 7.483 -7.185 1.00 0.00 H new ATOM 0 HA PHE A 34 2.926 9.159 -9.506 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.581 6.754 -10.489 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.192 7.435 -10.375 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.848 5.015 -8.868 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.841 6.494 -8.902 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.575 3.076 -7.551 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.574 4.553 -7.586 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.940 2.841 -6.905 1.00 0.00 H new ATOM 556 N PRO A 35 0.459 8.271 -9.682 1.00 0.00 N ATOM 557 CA PRO A 35 -0.993 8.115 -9.545 1.00 0.00 C ATOM 558 C PRO A 35 -1.397 6.709 -9.113 1.00 0.00 C ATOM 559 O PRO A 35 -1.469 5.794 -9.934 1.00 0.00 O ATOM 560 CB PRO A 35 -1.531 8.420 -10.951 1.00 0.00 C ATOM 561 CG PRO A 35 -0.349 8.320 -11.856 1.00 0.00 C ATOM 562 CD PRO A 35 0.834 8.725 -11.029 1.00 0.00 C ATOM 0 HA PRO A 35 -1.392 8.772 -8.772 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.307 7.710 -11.238 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.977 9.414 -10.994 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.232 7.305 -12.235 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.463 8.973 -12.722 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.752 8.250 -11.375 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.001 9.802 -11.061 1.00 0.00 H new ATOM 570 N THR A 36 -1.672 6.545 -7.821 1.00 0.00 N ATOM 571 CA THR A 36 -2.084 5.255 -7.283 1.00 0.00 C ATOM 572 C THR A 36 -3.542 5.317 -6.832 1.00 0.00 C ATOM 573 O THR A 36 -3.937 6.224 -6.100 1.00 0.00 O ATOM 574 CB THR A 36 -1.172 4.847 -6.118 1.00 0.00 C ATOM 575 OG1 THR A 36 0.084 4.404 -6.602 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.740 3.740 -5.253 1.00 0.00 C ATOM 0 H THR A 36 -1.616 7.292 -7.128 1.00 0.00 H new ATOM 0 HA THR A 36 -1.995 4.501 -8.065 1.00 0.00 H new ATOM 0 HB THR A 36 -1.077 5.744 -5.506 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.724 4.363 -5.861 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.038 3.508 -4.452 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.687 4.064 -4.823 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.904 2.850 -5.861 1.00 0.00 H new ATOM 584 N ASN A 37 -4.339 4.354 -7.281 1.00 0.00 N ATOM 585 CA ASN A 37 -5.755 4.314 -6.929 1.00 0.00 C ATOM 586 C ASN A 37 -6.005 3.391 -5.740 1.00 0.00 C ATOM 587 O ASN A 37 -5.835 2.176 -5.838 1.00 0.00 O ATOM 588 CB ASN A 37 -6.584 3.852 -8.128 1.00 0.00 C ATOM 589 CG ASN A 37 -6.211 4.578 -9.405 1.00 0.00 C ATOM 590 OD1 ASN A 37 -5.054 4.563 -9.827 1.00 0.00 O ATOM 591 ND2 ASN A 37 -7.190 5.222 -10.030 1.00 0.00 N ATOM 0 H ASN A 37 -4.031 3.593 -7.887 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.058 5.322 -6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.446 2.780 -8.270 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.641 4.012 -7.918 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.997 5.729 -10.894 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.135 5.209 -9.646 1.00 0.00 H new ATOM 598 N CYS A 38 -6.426 3.976 -4.623 1.00 0.00 N ATOM 599 CA CYS A 38 -6.719 3.207 -3.418 1.00 0.00 C ATOM 600 C CYS A 38 -7.805 2.168 -3.712 1.00 0.00 C ATOM 601 O CYS A 38 -8.553 2.300 -4.682 1.00 0.00 O ATOM 602 CB CYS A 38 -7.140 4.155 -2.282 1.00 0.00 C ATOM 603 SG CYS A 38 -8.675 3.688 -1.403 1.00 0.00 S ATOM 0 H CYS A 38 -6.572 4.981 -4.527 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.823 2.675 -3.098 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.328 4.210 -1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.267 5.156 -2.694 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.450 4.727 -1.302 1.00 0.00 H new ATOM 608 N GLU A 39 -7.881 1.136 -2.879 1.00 0.00 N ATOM 609 CA GLU A 39 -8.869 0.077 -3.064 1.00 0.00 C ATOM 610 C GLU A 39 -10.131 0.337 -2.242 1.00 0.00 C ATOM 611 O GLU A 39 -11.238 0.017 -2.674 1.00 0.00 O ATOM 612 CB GLU A 39 -8.266 -1.277 -2.681 1.00 0.00 C ATOM 613 CG GLU A 39 -8.269 -2.287 -3.817 1.00 0.00 C ATOM 614 CD GLU A 39 -9.637 -2.900 -4.049 1.00 0.00 C ATOM 615 OE1 GLU A 39 -10.591 -2.138 -4.307 1.00 0.00 O ATOM 616 OE2 GLU A 39 -9.752 -4.141 -3.971 1.00 0.00 O ATOM 0 H GLU A 39 -7.272 1.009 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.151 0.064 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.241 -1.126 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.823 -1.688 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.933 -1.800 -4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.553 -3.079 -3.596 1.00 0.00 H new ATOM 623 N ALA A 40 -9.957 0.910 -1.056 1.00 0.00 N ATOM 624 CA ALA A 40 -11.082 1.202 -0.174 1.00 0.00 C ATOM 625 C ALA A 40 -12.106 2.109 -0.854 1.00 0.00 C ATOM 626 O ALA A 40 -13.076 1.632 -1.440 1.00 0.00 O ATOM 627 CB ALA A 40 -10.585 1.823 1.125 1.00 0.00 C ATOM 0 H ALA A 40 -9.047 1.182 -0.683 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.583 0.262 0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.434 2.036 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.911 1.128 1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.054 2.749 0.906 1.00 0.00 H new ATOM 633 N CYS A 41 -11.888 3.419 -0.767 1.00 0.00 N ATOM 634 CA CYS A 41 -12.799 4.385 -1.371 1.00 0.00 C ATOM 635 C CYS A 41 -12.523 4.540 -2.864 1.00 0.00 C ATOM 636 O CYS A 41 -11.786 3.749 -3.454 1.00 0.00 O ATOM 637 CB CYS A 41 -12.683 5.741 -0.667 1.00 0.00 C ATOM 638 SG CYS A 41 -11.129 6.635 -0.999 1.00 0.00 S ATOM 0 H CYS A 41 -11.090 3.834 -0.285 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.816 4.011 -1.250 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.520 6.368 -0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.776 5.587 0.408 1.00 0.00 H new ATOM 0 HG CYS A 41 -11.134 7.766 -0.359 1.00 0.00 H new ATOM 643 N MET A 42 -13.127 5.557 -3.472 1.00 0.00 N ATOM 644 CA MET A 42 -12.949 5.809 -4.898 1.00 0.00 C ATOM 645 C MET A 42 -12.251 7.145 -5.139 1.00 0.00 C ATOM 646 O MET A 42 -12.640 7.909 -6.022 1.00 0.00 O ATOM 647 CB MET A 42 -14.304 5.793 -5.609 1.00 0.00 C ATOM 648 CG MET A 42 -15.102 4.521 -5.371 1.00 0.00 C ATOM 649 SD MET A 42 -16.171 4.101 -6.759 1.00 0.00 S ATOM 650 CE MET A 42 -16.230 2.317 -6.614 1.00 0.00 C ATOM 0 H MET A 42 -13.743 6.219 -3.000 1.00 0.00 H new ATOM 0 HA MET A 42 -12.319 5.017 -5.304 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.891 6.648 -5.274 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.144 5.917 -6.680 1.00 0.00 H new ATOM 0 HG2 MET A 42 -14.415 3.696 -5.184 1.00 0.00 H new ATOM 0 HG3 MET A 42 -15.709 4.640 -4.473 1.00 0.00 H new ATOM 0 HE1 MET A 42 -16.856 1.908 -7.407 1.00 0.00 H new ATOM 0 HE2 MET A 42 -15.222 1.911 -6.702 1.00 0.00 H new ATOM 0 HE3 MET A 42 -16.647 2.044 -5.645 1.00 0.00 H new ATOM 660 N LYS A 43 -11.215 7.419 -4.354 1.00 0.00 N ATOM 661 CA LYS A 43 -10.462 8.661 -4.489 1.00 0.00 C ATOM 662 C LYS A 43 -9.016 8.375 -4.893 1.00 0.00 C ATOM 663 O LYS A 43 -8.507 7.276 -4.674 1.00 0.00 O ATOM 664 CB LYS A 43 -10.497 9.454 -3.179 1.00 0.00 C ATOM 665 CG LYS A 43 -11.302 10.741 -3.272 1.00 0.00 C ATOM 666 CD LYS A 43 -12.776 10.495 -2.992 1.00 0.00 C ATOM 667 CE LYS A 43 -13.068 10.479 -1.500 1.00 0.00 C ATOM 668 NZ LYS A 43 -13.732 11.734 -1.051 1.00 0.00 N ATOM 0 H LYS A 43 -10.877 6.799 -3.618 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.929 9.258 -5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.919 8.826 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.476 9.694 -2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.911 11.468 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.186 11.173 -4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.372 11.271 -3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.077 9.544 -3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.705 9.627 -1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.137 10.344 -0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.914 11.684 -0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.114 12.545 -1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.633 11.851 -1.558 1.00 0.00 H new ATOM 682 N PRO A 44 -8.339 9.366 -5.495 1.00 0.00 N ATOM 683 CA PRO A 44 -6.948 9.218 -5.938 1.00 0.00 C ATOM 684 C PRO A 44 -5.965 9.154 -4.772 1.00 0.00 C ATOM 685 O PRO A 44 -6.011 9.982 -3.861 1.00 0.00 O ATOM 686 CB PRO A 44 -6.705 10.480 -6.767 1.00 0.00 C ATOM 687 CG PRO A 44 -7.662 11.481 -6.224 1.00 0.00 C ATOM 688 CD PRO A 44 -8.877 10.705 -5.797 1.00 0.00 C ATOM 0 HA PRO A 44 -6.796 8.289 -6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.675 10.824 -6.671 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.882 10.297 -7.827 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.227 12.019 -5.382 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.919 12.224 -6.979 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.353 11.153 -4.925 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.628 10.668 -6.586 1.00 0.00 H new ATOM 696 N LEU A 45 -5.072 8.169 -4.813 1.00 0.00 N ATOM 697 CA LEU A 45 -4.070 7.999 -3.767 1.00 0.00 C ATOM 698 C LEU A 45 -2.672 8.285 -4.309 1.00 0.00 C ATOM 699 O LEU A 45 -2.108 7.480 -5.048 1.00 0.00 O ATOM 700 CB LEU A 45 -4.126 6.580 -3.194 1.00 0.00 C ATOM 701 CG LEU A 45 -3.391 6.396 -1.866 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.054 5.319 -1.025 1.00 0.00 C ATOM 703 CD2 LEU A 45 -1.931 6.048 -2.103 1.00 0.00 C ATOM 0 H LEU A 45 -5.022 7.476 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.289 8.710 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.170 6.299 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.704 5.891 -3.925 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.441 7.340 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.513 5.207 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.086 5.603 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.040 4.374 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.427 5.922 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.866 5.121 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.452 6.852 -2.662 1.00 0.00 H new ATOM 715 N TRP A 46 -2.117 9.439 -3.939 1.00 0.00 N ATOM 716 CA TRP A 46 -0.780 9.831 -4.387 1.00 0.00 C ATOM 717 C TRP A 46 -0.492 11.286 -4.038 1.00 0.00 C ATOM 718 O TRP A 46 -1.317 11.965 -3.428 1.00 0.00 O ATOM 719 CB TRP A 46 -0.629 9.626 -5.899 1.00 0.00 C ATOM 720 CG TRP A 46 -1.755 10.212 -6.694 1.00 0.00 C ATOM 721 CD1 TRP A 46 -2.908 9.585 -7.067 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.835 11.544 -7.214 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.699 10.445 -7.791 1.00 0.00 N ATOM 724 CE2 TRP A 46 -3.063 11.655 -7.893 1.00 0.00 C ATOM 725 CE3 TRP A 46 -0.987 12.655 -7.172 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -3.464 12.829 -8.522 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -1.386 13.821 -7.798 1.00 0.00 C ATOM 728 CH2 TRP A 46 -2.615 13.901 -8.465 1.00 0.00 C ATOM 0 H TRP A 46 -2.572 10.119 -3.330 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.061 9.196 -3.869 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.309 10.074 -6.227 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.563 8.558 -6.109 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.162 8.563 -6.828 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.611 10.219 -8.188 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.038 12.603 -6.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.411 12.892 -9.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.739 14.685 -7.772 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.898 14.827 -8.944 1.00 0.00 H new ATOM 739 N HIS A 47 0.688 11.759 -4.432 1.00 0.00 N ATOM 740 CA HIS A 47 1.092 13.135 -4.166 1.00 0.00 C ATOM 741 C HIS A 47 2.492 13.400 -4.712 1.00 0.00 C ATOM 742 O HIS A 47 3.421 12.633 -4.465 1.00 0.00 O ATOM 743 CB HIS A 47 1.051 13.425 -2.664 1.00 0.00 C ATOM 744 CG HIS A 47 0.251 14.640 -2.310 1.00 0.00 C ATOM 745 ND1 HIS A 47 -1.054 14.577 -1.864 1.00 0.00 N ATOM 746 CD2 HIS A 47 0.575 15.953 -2.337 1.00 0.00 C ATOM 747 CE1 HIS A 47 -1.496 15.800 -1.633 1.00 0.00 C ATOM 748 NE2 HIS A 47 -0.528 16.653 -1.911 1.00 0.00 N ATOM 0 H HIS A 47 1.381 11.208 -4.937 1.00 0.00 H new ATOM 0 HA HIS A 47 0.390 13.799 -4.671 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.633 12.561 -2.147 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.070 13.552 -2.299 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.524 16.373 -2.637 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.482 16.058 -1.277 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.589 17.667 -1.824 1.00 0.00 H new ATOM 757 N MET A 48 2.634 14.489 -5.460 1.00 0.00 N ATOM 758 CA MET A 48 3.919 14.851 -6.044 1.00 0.00 C ATOM 759 C MET A 48 4.824 15.510 -5.014 1.00 0.00 C ATOM 760 O MET A 48 6.005 15.180 -4.907 1.00 0.00 O ATOM 761 CB MET A 48 3.717 15.801 -7.226 1.00 0.00 C ATOM 762 CG MET A 48 3.111 17.138 -6.837 1.00 0.00 C ATOM 763 SD MET A 48 2.629 18.126 -8.268 1.00 0.00 S ATOM 764 CE MET A 48 1.094 17.327 -8.726 1.00 0.00 C ATOM 0 H MET A 48 1.875 15.136 -5.676 1.00 0.00 H new ATOM 0 HA MET A 48 4.396 13.934 -6.391 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.678 15.975 -7.710 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.072 15.320 -7.962 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.238 16.967 -6.208 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.830 17.698 -6.239 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.084 17.147 -9.801 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.007 16.377 -8.198 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.255 17.970 -8.458 1.00 0.00 H new ATOM 774 N PHE A 49 4.266 16.453 -4.267 1.00 0.00 N ATOM 775 CA PHE A 49 5.027 17.167 -3.255 1.00 0.00 C ATOM 776 C PHE A 49 5.285 16.291 -2.032 1.00 0.00 C ATOM 777 O PHE A 49 6.406 15.835 -1.810 1.00 0.00 O ATOM 778 CB PHE A 49 4.293 18.445 -2.841 1.00 0.00 C ATOM 779 CG PHE A 49 4.198 19.464 -3.940 1.00 0.00 C ATOM 780 CD1 PHE A 49 5.343 19.987 -4.518 1.00 0.00 C ATOM 781 CD2 PHE A 49 2.964 19.897 -4.395 1.00 0.00 C ATOM 782 CE1 PHE A 49 5.260 20.924 -5.531 1.00 0.00 C ATOM 783 CE2 PHE A 49 2.872 20.834 -5.408 1.00 0.00 C ATOM 784 CZ PHE A 49 4.023 21.347 -5.976 1.00 0.00 C ATOM 0 H PHE A 49 3.290 16.740 -4.344 1.00 0.00 H new ATOM 0 HA PHE A 49 5.991 17.433 -3.689 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.288 18.186 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.806 18.889 -1.988 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.312 19.659 -4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.063 19.498 -3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.160 21.324 -5.973 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.904 21.164 -5.754 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.955 22.078 -6.768 1.00 0.00 H new ATOM 794 N LYS A 50 4.243 16.065 -1.240 1.00 0.00 N ATOM 795 CA LYS A 50 4.363 15.248 -0.037 1.00 0.00 C ATOM 796 C LYS A 50 3.437 14.034 -0.096 1.00 0.00 C ATOM 797 O LYS A 50 2.261 14.127 0.255 1.00 0.00 O ATOM 798 CB LYS A 50 4.043 16.084 1.203 1.00 0.00 C ATOM 799 CG LYS A 50 4.859 17.364 1.299 1.00 0.00 C ATOM 800 CD LYS A 50 6.249 17.098 1.854 1.00 0.00 C ATOM 801 CE LYS A 50 6.701 18.213 2.782 1.00 0.00 C ATOM 802 NZ LYS A 50 8.124 18.051 3.193 1.00 0.00 N ATOM 0 H LYS A 50 3.307 16.435 -1.408 1.00 0.00 H new ATOM 0 HA LYS A 50 5.391 14.891 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.983 16.338 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.221 15.481 2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.941 17.819 0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.342 18.080 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.251 16.151 2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.957 16.998 1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.574 19.174 2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.067 18.227 3.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.394 18.831 3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.241 17.146 3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.732 18.063 2.350 1.00 0.00 H new ATOM 816 N PRO A 51 3.953 12.873 -0.538 1.00 0.00 N ATOM 817 CA PRO A 51 3.159 11.642 -0.632 1.00 0.00 C ATOM 818 C PRO A 51 2.686 11.158 0.737 1.00 0.00 C ATOM 819 O PRO A 51 3.497 10.915 1.631 1.00 0.00 O ATOM 820 CB PRO A 51 4.129 10.630 -1.251 1.00 0.00 C ATOM 821 CG PRO A 51 5.487 11.170 -0.962 1.00 0.00 C ATOM 822 CD PRO A 51 5.346 12.665 -0.974 1.00 0.00 C ATOM 0 HA PRO A 51 2.251 11.788 -1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.997 9.640 -0.815 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.964 10.531 -2.324 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.849 10.820 0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.206 10.839 -1.711 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.055 13.142 -0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.524 13.079 -1.967 1.00 0.00 H new ATOM 830 N PRO A 52 1.361 11.011 0.921 1.00 0.00 N ATOM 831 CA PRO A 52 0.788 10.552 2.189 1.00 0.00 C ATOM 832 C PRO A 52 1.133 9.096 2.486 1.00 0.00 C ATOM 833 O PRO A 52 1.423 8.320 1.576 1.00 0.00 O ATOM 834 CB PRO A 52 -0.720 10.712 1.980 1.00 0.00 C ATOM 835 CG PRO A 52 -0.907 10.657 0.505 1.00 0.00 C ATOM 836 CD PRO A 52 0.324 11.277 -0.090 1.00 0.00 C ATOM 0 HA PRO A 52 1.175 11.116 3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.275 9.918 2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.078 11.657 2.389 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.030 9.629 0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.802 11.201 0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.575 10.829 -1.051 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.194 12.346 -0.261 1.00 0.00 H new ATOM 844 N PRO A 53 1.105 8.706 3.771 1.00 0.00 N ATOM 845 CA PRO A 53 1.416 7.334 4.185 1.00 0.00 C ATOM 846 C PRO A 53 0.380 6.330 3.689 1.00 0.00 C ATOM 847 O PRO A 53 -0.633 6.098 4.346 1.00 0.00 O ATOM 848 CB PRO A 53 1.402 7.405 5.715 1.00 0.00 C ATOM 849 CG PRO A 53 0.549 8.584 6.034 1.00 0.00 C ATOM 850 CD PRO A 53 0.768 9.566 4.919 1.00 0.00 C ATOM 0 HA PRO A 53 2.365 6.993 3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.994 6.492 6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.409 7.526 6.115 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.501 8.299 6.103 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.825 9.017 6.995 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.124 10.162 4.727 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.574 10.263 5.149 1.00 0.00 H new ATOM 858 N ALA A 54 0.644 5.736 2.531 1.00 0.00 N ATOM 859 CA ALA A 54 -0.262 4.756 1.954 1.00 0.00 C ATOM 860 C ALA A 54 0.098 3.349 2.415 1.00 0.00 C ATOM 861 O ALA A 54 1.220 3.099 2.857 1.00 0.00 O ATOM 862 CB ALA A 54 -0.236 4.840 0.435 1.00 0.00 C ATOM 0 H ALA A 54 1.479 5.918 1.974 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.272 4.980 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.919 4.100 0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.545 5.837 0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.775 4.643 0.077 1.00 0.00 H new ATOM 868 N LEU A 55 -0.859 2.436 2.314 1.00 0.00 N ATOM 869 CA LEU A 55 -0.640 1.056 2.727 1.00 0.00 C ATOM 870 C LEU A 55 -0.821 0.100 1.555 1.00 0.00 C ATOM 871 O LEU A 55 -1.912 -0.010 0.994 1.00 0.00 O ATOM 872 CB LEU A 55 -1.589 0.687 3.867 1.00 0.00 C ATOM 873 CG LEU A 55 -1.633 1.690 5.021 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.575 1.208 6.114 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.237 1.916 5.580 1.00 0.00 C ATOM 0 H LEU A 55 -1.793 2.626 1.950 1.00 0.00 H new ATOM 0 HA LEU A 55 0.387 0.966 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.595 0.578 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.297 -0.286 4.262 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.010 2.639 4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.593 1.935 6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.579 1.096 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.229 0.247 6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.285 2.632 6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.166 0.972 5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.410 2.307 4.795 1.00 0.00 H new ATOM 887 N GLU A 56 0.257 -0.585 1.187 1.00 0.00 N ATOM 888 CA GLU A 56 0.223 -1.529 0.077 1.00 0.00 C ATOM 889 C GLU A 56 0.135 -2.967 0.578 1.00 0.00 C ATOM 890 O GLU A 56 0.861 -3.361 1.491 1.00 0.00 O ATOM 891 CB GLU A 56 1.469 -1.362 -0.796 1.00 0.00 C ATOM 892 CG GLU A 56 1.382 -2.094 -2.125 1.00 0.00 C ATOM 893 CD GLU A 56 2.732 -2.577 -2.613 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.623 -2.805 -1.768 1.00 0.00 O ATOM 895 OE2 GLU A 56 2.900 -2.731 -3.842 1.00 0.00 O ATOM 0 H GLU A 56 1.166 -0.503 1.642 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.667 -1.317 -0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.631 -0.301 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.338 -1.724 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.710 -2.946 -2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.945 -1.432 -2.872 1.00 0.00 H new ATOM 902 N CYS A 57 -0.751 -3.748 -0.028 1.00 0.00 N ATOM 903 CA CYS A 57 -0.923 -5.143 0.354 1.00 0.00 C ATOM 904 C CYS A 57 0.231 -5.986 -0.173 1.00 0.00 C ATOM 905 O CYS A 57 0.633 -5.854 -1.329 1.00 0.00 O ATOM 906 CB CYS A 57 -2.256 -5.680 -0.177 1.00 0.00 C ATOM 907 SG CYS A 57 -2.516 -7.460 0.117 1.00 0.00 S ATOM 0 H CYS A 57 -1.361 -3.439 -0.785 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.929 -5.204 1.442 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.070 -5.124 0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.311 -5.489 -1.249 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.526 -7.934 0.814 1.00 0.00 H new ATOM 912 N ARG A 58 0.762 -6.854 0.682 1.00 0.00 N ATOM 913 CA ARG A 58 1.871 -7.718 0.299 1.00 0.00 C ATOM 914 C ARG A 58 1.362 -9.084 -0.159 1.00 0.00 C ATOM 915 O ARG A 58 2.025 -10.103 0.034 1.00 0.00 O ATOM 916 CB ARG A 58 2.844 -7.880 1.471 1.00 0.00 C ATOM 917 CG ARG A 58 2.236 -8.577 2.677 1.00 0.00 C ATOM 918 CD ARG A 58 3.260 -8.765 3.786 1.00 0.00 C ATOM 919 NE ARG A 58 3.735 -10.144 3.864 1.00 0.00 N ATOM 920 CZ ARG A 58 4.341 -10.661 4.932 1.00 0.00 C ATOM 921 NH1 ARG A 58 4.548 -9.916 6.011 1.00 0.00 N ATOM 922 NH2 ARG A 58 4.741 -11.925 4.921 1.00 0.00 N ATOM 0 H ARG A 58 0.442 -6.977 1.643 1.00 0.00 H new ATOM 0 HA ARG A 58 2.397 -7.252 -0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.713 -8.446 1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.202 -6.896 1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.396 -7.992 3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.841 -9.547 2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.106 -8.099 3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.817 -8.479 4.740 1.00 0.00 H new ATOM 0 HE ARG A 58 3.595 -10.747 3.053 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.243 -8.943 6.025 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.012 -10.317 6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.585 -12.502 4.095 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.205 -12.320 5.739 1.00 0.00 H new ATOM 936 N ARG A 59 0.180 -9.090 -0.770 1.00 0.00 N ATOM 937 CA ARG A 59 -0.428 -10.323 -1.262 1.00 0.00 C ATOM 938 C ARG A 59 -1.045 -10.113 -2.645 1.00 0.00 C ATOM 939 O ARG A 59 -0.477 -10.531 -3.655 1.00 0.00 O ATOM 940 CB ARG A 59 -1.492 -10.820 -0.279 1.00 0.00 C ATOM 941 CG ARG A 59 -0.963 -11.046 1.130 1.00 0.00 C ATOM 942 CD ARG A 59 -1.766 -10.270 2.165 1.00 0.00 C ATOM 943 NE ARG A 59 -2.467 -11.157 3.089 1.00 0.00 N ATOM 944 CZ ARG A 59 -1.867 -11.844 4.059 1.00 0.00 C ATOM 945 NH1 ARG A 59 -0.555 -11.743 4.238 1.00 0.00 N ATOM 946 NH2 ARG A 59 -2.580 -12.630 4.854 1.00 0.00 N ATOM 0 H ARG A 59 -0.377 -8.252 -0.937 1.00 0.00 H new ATOM 0 HA ARG A 59 0.354 -11.077 -1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.306 -10.096 -0.241 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.913 -11.753 -0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.998 -12.110 1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.083 -10.743 1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.099 -9.616 2.726 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.488 -9.630 1.658 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.477 -11.256 2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.003 -11.137 3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.100 -12.271 4.982 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.588 -12.709 4.723 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.120 -13.156 5.597 1.00 0.00 H new ATOM 960 N CYS A 60 -2.209 -9.466 -2.687 1.00 0.00 N ATOM 961 CA CYS A 60 -2.898 -9.204 -3.949 1.00 0.00 C ATOM 962 C CYS A 60 -2.426 -7.895 -4.584 1.00 0.00 C ATOM 963 O CYS A 60 -2.789 -7.584 -5.719 1.00 0.00 O ATOM 964 CB CYS A 60 -4.415 -9.163 -3.731 1.00 0.00 C ATOM 965 SG CYS A 60 -5.007 -7.699 -2.817 1.00 0.00 S ATOM 0 H CYS A 60 -2.694 -9.114 -1.862 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.656 -10.018 -4.632 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.910 -9.195 -4.702 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.716 -10.060 -3.190 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.222 -7.472 -1.806 1.00 0.00 H new ATOM 970 N HIS A 61 -1.619 -7.132 -3.849 1.00 0.00 N ATOM 971 CA HIS A 61 -1.101 -5.859 -4.344 1.00 0.00 C ATOM 972 C HIS A 61 -2.208 -4.814 -4.446 1.00 0.00 C ATOM 973 O HIS A 61 -2.891 -4.710 -5.465 1.00 0.00 O ATOM 974 CB HIS A 61 -0.429 -6.044 -5.708 1.00 0.00 C ATOM 975 CG HIS A 61 0.597 -7.133 -5.725 1.00 0.00 C ATOM 976 ND1 HIS A 61 1.909 -6.937 -5.348 1.00 0.00 N ATOM 977 CD2 HIS A 61 0.499 -8.439 -6.076 1.00 0.00 C ATOM 978 CE1 HIS A 61 2.574 -8.074 -5.467 1.00 0.00 C ATOM 979 NE2 HIS A 61 1.741 -8.999 -5.906 1.00 0.00 N ATOM 0 H HIS A 61 -1.310 -7.374 -2.908 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.359 -5.504 -3.629 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.193 -6.264 -6.454 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.043 -5.106 -6.002 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.390 -8.944 -6.424 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.620 -8.221 -5.243 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.981 -9.973 -6.089 1.00 0.00 H new ATOM 988 N ILE A 62 -2.369 -4.035 -3.381 1.00 0.00 N ATOM 989 CA ILE A 62 -3.382 -2.986 -3.338 1.00 0.00 C ATOM 990 C ILE A 62 -2.967 -1.886 -2.375 1.00 0.00 C ATOM 991 O ILE A 62 -2.495 -2.163 -1.273 1.00 0.00 O ATOM 992 CB ILE A 62 -4.756 -3.536 -2.911 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.663 -4.219 -1.545 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.278 -4.504 -3.956 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.819 -3.887 -0.625 1.00 0.00 C ATOM 0 H ILE A 62 -1.808 -4.111 -2.532 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.468 -2.583 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.453 -2.703 -2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.622 -5.299 -1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.730 -3.926 -1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.250 -4.887 -3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.381 -3.988 -4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.579 -5.333 -4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.688 -4.405 0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.848 -2.811 -0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.754 -4.205 -1.086 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.132 -0.637 -2.789 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.752 0.483 -1.943 1.00 0.00 C ATOM 1009 C LYS A 63 -3.962 1.094 -1.246 1.00 0.00 C ATOM 1010 O LYS A 63 -5.069 1.097 -1.783 1.00 0.00 O ATOM 1011 CB LYS A 63 -2.026 1.555 -2.754 1.00 0.00 C ATOM 1012 CG LYS A 63 -1.005 0.994 -3.731 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.664 0.499 -5.006 1.00 0.00 C ATOM 1014 CE LYS A 63 -0.728 0.622 -6.198 1.00 0.00 C ATOM 1015 NZ LYS A 63 -1.451 0.467 -7.491 1.00 0.00 N ATOM 0 H LYS A 63 -3.522 -0.377 -3.695 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.077 0.096 -1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.761 2.140 -3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.524 2.238 -2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.273 1.764 -3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.462 0.175 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.963 -0.542 -4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.572 1.072 -5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.234 1.593 -6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.053 -0.135 -6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.778 0.557 -8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.902 -0.470 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.179 1.205 -7.572 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.732 1.613 -0.044 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.790 2.234 0.745 1.00 0.00 C ATOM 1031 C CYS A 64 -4.197 3.189 1.776 1.00 0.00 C ATOM 1032 O CYS A 64 -3.393 2.782 2.614 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.615 1.161 1.451 1.00 0.00 C ATOM 1034 SG CYS A 64 -6.817 0.325 0.391 1.00 0.00 S ATOM 0 H CYS A 64 -2.817 1.615 0.407 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.435 2.799 0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -4.938 0.416 1.869 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.143 1.618 2.288 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.335 0.220 -0.812 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.591 4.459 1.710 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.082 5.468 2.648 1.00 0.00 C ATOM 1042 C HIS A 65 -4.077 4.939 4.067 1.00 0.00 C ATOM 1043 O HIS A 65 -5.055 4.347 4.526 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.899 6.776 2.628 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.921 6.869 1.542 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -5.935 7.809 0.533 1.00 0.00 N ATOM 1047 CD2 HIS A 65 -7.005 6.105 1.350 1.00 0.00 C ATOM 1048 CE1 HIS A 65 -7.026 7.580 -0.221 1.00 0.00 C ATOM 1049 NE2 HIS A 65 -7.708 6.548 0.245 1.00 0.00 N ATOM 0 H HIS A 65 -5.256 4.816 1.024 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.067 5.687 2.316 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.402 6.887 3.589 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.210 7.615 2.530 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.244 8.544 0.385 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.288 5.266 1.968 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.306 8.160 -1.088 1.00 0.00 H new ATOM 1057 N LYS A 66 -2.987 5.189 4.772 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.874 4.773 6.158 1.00 0.00 C ATOM 1059 C LYS A 66 -4.100 5.257 6.927 1.00 0.00 C ATOM 1060 O LYS A 66 -4.541 4.625 7.888 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.594 5.333 6.782 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.473 5.057 8.274 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.188 4.311 8.607 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.463 3.060 9.427 1.00 0.00 C ATOM 1065 NZ LYS A 66 0.549 2.865 10.502 1.00 0.00 N ATOM 0 H LYS A 66 -2.169 5.677 4.407 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.824 3.685 6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.732 4.904 6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.560 6.410 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.499 5.999 8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.330 4.471 8.606 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.324 4.037 7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.482 4.969 9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.456 3.129 9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.467 2.190 8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.325 2.002 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.494 2.774 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.536 3.683 11.144 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.640 6.393 6.485 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.815 6.988 7.109 1.00 0.00 C ATOM 1081 C ASP A 67 -6.953 5.980 7.256 1.00 0.00 C ATOM 1082 O ASP A 67 -7.575 5.896 8.315 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.292 8.190 6.292 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.510 9.451 6.607 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -4.284 9.353 6.812 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -6.127 10.536 6.648 1.00 0.00 O ATOM 0 H ASP A 67 -4.277 6.920 5.691 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.526 7.314 8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.199 7.964 5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.350 8.363 6.489 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.234 5.216 6.197 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.322 4.228 6.258 1.00 0.00 C ATOM 1093 C HIS A 68 -8.139 3.284 7.444 1.00 0.00 C ATOM 1094 O HIS A 68 -9.064 3.067 8.225 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.421 3.410 4.966 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.055 4.154 3.832 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.070 5.075 3.982 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.740 4.156 2.517 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.327 5.604 2.777 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.544 5.081 1.854 1.00 0.00 N ATOM 0 H HIS A 68 -6.739 5.257 5.306 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.249 4.788 6.384 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.421 3.094 4.668 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -8.996 2.505 5.162 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.985 3.538 2.054 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.076 6.359 2.588 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.530 5.307 0.859 1.00 0.00 H new ATOM 1108 N MET A 69 -6.939 2.724 7.570 1.00 0.00 N ATOM 1109 CA MET A 69 -6.639 1.803 8.660 1.00 0.00 C ATOM 1110 C MET A 69 -6.737 2.506 10.010 1.00 0.00 C ATOM 1111 O MET A 69 -7.391 2.017 10.930 1.00 0.00 O ATOM 1112 CB MET A 69 -5.242 1.206 8.481 1.00 0.00 C ATOM 1113 CG MET A 69 -4.856 0.225 9.574 1.00 0.00 C ATOM 1114 SD MET A 69 -6.016 -1.148 9.718 1.00 0.00 S ATOM 1115 CE MET A 69 -5.827 -1.921 8.114 1.00 0.00 C ATOM 0 H MET A 69 -6.161 2.892 6.932 1.00 0.00 H new ATOM 0 HA MET A 69 -7.375 0.999 8.636 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.193 0.700 7.517 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.511 2.014 8.455 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.859 -0.167 9.370 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.802 0.752 10.527 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.756 -1.824 7.552 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.020 -1.433 7.568 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.590 -2.977 8.245 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.084 3.659 10.120 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.096 4.431 11.356 1.00 0.00 C ATOM 1127 C ASP A 70 -7.521 4.833 11.732 1.00 0.00 C ATOM 1128 O ASP A 70 -7.847 4.968 12.911 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.224 5.678 11.212 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.366 5.929 12.437 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -3.626 5.009 12.842 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -4.435 7.047 12.991 1.00 0.00 O ATOM 0 H ASP A 70 -5.540 4.079 9.367 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.692 3.804 12.151 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.582 5.570 10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.861 6.545 11.034 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.361 5.025 10.721 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.748 5.415 10.943 1.00 0.00 C ATOM 1139 C LYS A 71 -10.645 4.191 11.113 1.00 0.00 C ATOM 1140 O LYS A 71 -11.737 4.286 11.675 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.250 6.271 9.779 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.498 7.581 9.622 1.00 0.00 C ATOM 1143 CD LYS A 71 -10.299 8.754 10.162 1.00 0.00 C ATOM 1144 CE LYS A 71 -9.400 9.922 10.530 1.00 0.00 C ATOM 1145 NZ LYS A 71 -10.123 10.950 11.328 1.00 0.00 N ATOM 0 H LYS A 71 -8.105 4.917 9.739 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.789 5.999 11.862 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.165 5.699 8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.309 6.484 9.925 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.544 7.519 10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.272 7.748 8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.025 9.074 9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.863 8.437 11.039 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.545 9.557 11.099 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.007 10.378 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.475 11.730 11.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.924 11.318 10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.476 10.522 12.208 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.183 3.044 10.626 1.00 0.00 N ATOM 1160 CA LYS A 72 -10.948 1.807 10.726 1.00 0.00 C ATOM 1161 C LYS A 72 -12.242 1.905 9.921 1.00 0.00 C ATOM 1162 O LYS A 72 -13.338 1.754 10.461 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.257 1.491 12.194 1.00 0.00 C ATOM 1164 CG LYS A 72 -10.979 0.046 12.576 1.00 0.00 C ATOM 1165 CD LYS A 72 -12.076 -0.881 12.081 1.00 0.00 C ATOM 1166 CE LYS A 72 -11.804 -2.323 12.474 1.00 0.00 C ATOM 1167 NZ LYS A 72 -13.038 -3.158 12.418 1.00 0.00 N ATOM 0 H LYS A 72 -9.282 2.946 10.158 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.347 0.997 10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.664 2.147 12.831 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.305 1.716 12.393 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.022 -0.265 12.157 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.894 -0.035 13.660 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.034 -0.565 12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.155 -0.807 10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.050 -2.744 11.809 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.391 -2.353 13.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.809 -4.134 12.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.749 -2.772 13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.418 -3.151 11.450 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.105 2.159 8.624 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.260 2.281 7.742 1.00 0.00 C ATOM 1183 C GLU A 73 -13.702 0.914 7.228 1.00 0.00 C ATOM 1184 O GLU A 73 -12.906 0.164 6.663 1.00 0.00 O ATOM 1185 CB GLU A 73 -12.930 3.199 6.564 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.517 4.600 6.982 1.00 0.00 C ATOM 1187 CD GLU A 73 -12.893 5.649 5.954 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.016 5.576 5.412 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -12.063 6.545 5.689 1.00 0.00 O ATOM 0 H GLU A 73 -11.205 2.284 8.160 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.080 2.714 8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.126 2.751 5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.800 3.265 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.987 4.845 7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.439 4.624 7.143 1.00 0.00 H new ATOM 1196 N GLU A 74 -14.978 0.599 7.427 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.532 -0.676 6.983 1.00 0.00 C ATOM 1198 C GLU A 74 -15.357 -0.856 5.478 1.00 0.00 C ATOM 1199 O GLU A 74 -15.376 -1.978 4.970 1.00 0.00 O ATOM 1200 CB GLU A 74 -17.016 -0.762 7.349 1.00 0.00 C ATOM 1201 CG GLU A 74 -17.896 0.200 6.567 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.261 0.387 7.200 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -19.323 0.581 8.433 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -20.269 0.341 6.463 1.00 0.00 O ATOM 0 H GLU A 74 -15.649 1.210 7.893 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.990 -1.475 7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.365 -1.780 7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.131 -0.561 8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.397 1.167 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.019 -0.171 5.550 1.00 0.00 H new ATOM 1211 N ILE A 75 -15.191 0.257 4.768 1.00 0.00 N ATOM 1212 CA ILE A 75 -15.017 0.229 3.321 1.00 0.00 C ATOM 1213 C ILE A 75 -13.947 -0.778 2.902 1.00 0.00 C ATOM 1214 O ILE A 75 -13.995 -1.325 1.799 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.643 1.624 2.783 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.287 2.068 3.344 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.728 2.629 3.143 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.914 3.490 2.985 1.00 0.00 C ATOM 0 H ILE A 75 -15.174 1.192 5.175 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.971 -0.078 2.893 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.562 1.573 1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.303 1.969 4.429 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.513 1.395 2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.455 3.612 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.674 2.317 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.832 2.679 4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.943 3.732 3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.864 3.590 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.666 4.174 3.378 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.986 -1.021 3.787 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.912 -1.966 3.508 1.00 0.00 C ATOM 1232 C ILE A 76 -12.421 -3.404 3.569 1.00 0.00 C ATOM 1233 O ILE A 76 -13.177 -3.766 4.470 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.744 -1.809 4.505 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -10.255 -0.360 4.531 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.604 -2.753 4.144 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.104 -0.129 5.486 1.00 0.00 C ATOM 0 H ILE A 76 -12.929 -0.576 4.703 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.553 -1.746 2.503 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.102 -2.069 5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.947 -0.071 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.084 0.290 4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.789 -2.629 4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.960 -3.783 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.246 -2.524 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.809 0.920 5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.414 -0.387 6.499 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.259 -0.753 5.195 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.997 -4.220 2.608 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.408 -5.617 2.562 1.00 0.00 C ATOM 1251 C ALA A 77 -11.212 -6.546 2.716 1.00 0.00 C ATOM 1252 O ALA A 77 -10.063 -6.127 2.580 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.138 -5.922 1.263 1.00 0.00 C ATOM 0 H ALA A 77 -11.371 -3.938 1.854 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.088 -5.788 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.436 -6.971 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.024 -5.292 1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.478 -5.722 0.419 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.473 -7.830 3.003 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.417 -8.830 3.174 1.00 0.00 C ATOM 1261 C PRO A 78 -9.661 -9.107 1.879 1.00 0.00 C ATOM 1262 O PRO A 78 -10.181 -8.886 0.786 1.00 0.00 O ATOM 1263 CB PRO A 78 -11.174 -10.082 3.619 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.573 -9.885 3.148 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.818 -8.405 3.180 1.00 0.00 C ATOM 0 HA PRO A 78 -9.660 -8.496 3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.736 -10.981 3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -11.137 -10.200 4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.704 -10.280 2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.279 -10.411 3.791 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.496 -8.093 2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.267 -8.093 4.123 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.431 -9.601 2.009 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.612 -9.917 0.842 1.00 0.00 C ATOM 1275 C CYS A 79 -8.315 -10.946 -0.042 1.00 0.00 C ATOM 1276 O CYS A 79 -8.975 -11.858 0.456 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.240 -10.442 1.274 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.967 -10.348 -0.033 1.00 0.00 S ATOM 0 H CYS A 79 -7.982 -9.790 2.905 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.469 -9.002 0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.900 -9.874 2.140 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.343 -11.479 1.594 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.244 -9.282 0.141 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.184 -10.784 -1.355 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.823 -11.692 -2.305 1.00 0.00 C ATOM 1285 C LYS A 80 -7.951 -12.912 -2.593 1.00 0.00 C ATOM 1286 O LYS A 80 -8.450 -14.035 -2.669 1.00 0.00 O ATOM 1287 CB LYS A 80 -9.140 -10.958 -3.610 1.00 0.00 C ATOM 1288 CG LYS A 80 -7.943 -10.245 -4.217 1.00 0.00 C ATOM 1289 CD LYS A 80 -8.257 -9.712 -5.606 1.00 0.00 C ATOM 1290 CE LYS A 80 -7.642 -10.583 -6.690 1.00 0.00 C ATOM 1291 NZ LYS A 80 -8.396 -10.492 -7.972 1.00 0.00 N ATOM 0 H LYS A 80 -7.643 -10.035 -1.786 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.751 -12.042 -1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.530 -11.674 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.930 -10.230 -3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.642 -9.421 -3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.099 -10.932 -4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.337 -9.667 -5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.881 -8.693 -5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.608 -10.281 -6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.621 -11.620 -6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.944 -11.100 -8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.376 -10.805 -7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.394 -9.507 -8.307 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.651 -12.687 -2.760 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.724 -13.776 -3.049 1.00 0.00 C ATOM 1307 C VAL A 81 -5.667 -14.787 -1.903 1.00 0.00 C ATOM 1308 O VAL A 81 -5.189 -15.908 -2.080 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.303 -13.251 -3.328 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.302 -12.337 -4.542 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.743 -12.535 -2.106 1.00 0.00 C ATOM 0 H VAL A 81 -6.218 -11.766 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.102 -14.273 -3.942 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.657 -14.102 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.290 -11.975 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.652 -12.890 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.963 -11.489 -4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.739 -12.172 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.386 -11.692 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.703 -13.227 -1.265 1.00 0.00 H new