USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=15 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 38 CYS SG : rot -140:sc= -1.57 USER MOD Set 1.2: A 41 CYS SG : rot 180:sc= -0.688 USER MOD Set 1.3: A 64 CYS SG : rot 24:sc= 0.72 USER MOD Set 1.4: A 65 HIS :FLIP no HD1:sc= -4.79! C(o=-19!,f=-13!) USER MOD Set 1.5: A 68 HIS : no HE2:sc= -6.5! C(o=-13!,f=-18!) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -9.96! C(o=-14!,f=-15!) USER MOD Set 2.2: A 57 CYS SG : rot 10:sc= -0.518 USER MOD Set 2.3: A 60 CYS SG : rot -42:sc= -1.61 USER MOD Set 2.4: A 79 CYS SG : rot 96:sc= -1.67 USER MOD Set 3.1: A 22 HIS : no HD1:sc= 0 X(o=-7,f=-7.3) USER MOD Set 3.2: A 69 MET CE :methyl -116:sc= -6.99 (180deg=-12.8!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= -0.0179 USER MOD Single : A 23 LYS NZ :NH3+ -114:sc= 0.0328 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 32 TYR OH : rot 25:sc= -2.21 USER MOD Single : A 33 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-1.3) USER MOD Single : A 36 THR OG1 : rot 174:sc= 1.09 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) 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=-0.02) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.305 X(o=-0.31,f=0.05) 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 6.976 -2.729 8.429 1.00 0.00 N ATOM 268 CA ASN A 18 5.980 -3.501 9.165 1.00 0.00 C ATOM 269 C ASN A 18 4.819 -3.892 8.257 1.00 0.00 C ATOM 270 O ASN A 18 4.760 -3.480 7.100 1.00 0.00 O ATOM 271 CB ASN A 18 5.463 -2.697 10.362 1.00 0.00 C ATOM 272 CG ASN A 18 5.706 -3.403 11.682 1.00 0.00 C ATOM 273 OD1 ASN A 18 4.904 -4.231 12.112 1.00 0.00 O ATOM 274 ND2 ASN A 18 6.816 -3.076 12.334 1.00 0.00 N ATOM 0 HA ASN A 18 6.456 -4.412 9.529 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.951 -1.722 10.379 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.395 -2.517 10.241 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.031 -3.517 13.228 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.454 -2.384 11.940 1.00 0.00 H new ATOM 281 N TYR A 19 3.900 -4.694 8.786 1.00 0.00 N ATOM 282 CA TYR A 19 2.745 -5.139 8.013 1.00 0.00 C ATOM 283 C TYR A 19 1.458 -4.981 8.817 1.00 0.00 C ATOM 284 O TYR A 19 1.286 -5.605 9.863 1.00 0.00 O ATOM 285 CB TYR A 19 2.908 -6.599 7.573 1.00 0.00 C ATOM 286 CG TYR A 19 4.333 -7.110 7.626 1.00 0.00 C ATOM 287 CD1 TYR A 19 4.971 -7.323 8.842 1.00 0.00 C ATOM 288 CD2 TYR A 19 5.038 -7.380 6.459 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.270 -7.791 8.894 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.338 -7.849 6.504 1.00 0.00 C ATOM 291 CZ TYR A 19 6.949 -8.052 7.724 1.00 0.00 C ATOM 292 OH TYR A 19 8.243 -8.518 7.772 1.00 0.00 O ATOM 0 H TYR A 19 3.932 -5.048 9.742 1.00 0.00 H new ATOM 0 HA TYR A 19 2.682 -4.511 7.124 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.284 -7.229 8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.535 -6.703 6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.443 -7.119 9.762 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.563 -7.221 5.502 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.751 -7.951 9.848 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.872 -8.055 5.588 1.00 0.00 H new ATOM 0 HH TYR A 19 8.576 -8.652 6.860 1.00 0.00 H new ATOM 302 N ILE A 20 0.558 -4.144 8.314 1.00 0.00 N ATOM 303 CA ILE A 20 -0.717 -3.898 8.973 1.00 0.00 C ATOM 304 C ILE A 20 -1.677 -5.066 8.763 1.00 0.00 C ATOM 305 O ILE A 20 -2.172 -5.286 7.656 1.00 0.00 O ATOM 306 CB ILE A 20 -1.372 -2.603 8.446 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.544 -1.384 8.856 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.804 -2.473 8.951 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.453 -0.948 7.806 1.00 0.00 C ATOM 0 H ILE A 20 0.690 -3.622 7.447 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.514 -3.789 10.038 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.402 -2.653 7.358 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.217 -0.554 9.073 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.011 -1.611 9.779 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.243 -1.553 8.566 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.390 -3.326 8.608 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.805 -2.447 10.041 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.004 -0.079 8.166 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.150 -1.762 7.606 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.075 -0.689 6.888 1.00 0.00 H new ATOM 321 N CYS A 21 -1.942 -5.805 9.834 1.00 0.00 N ATOM 322 CA CYS A 21 -2.851 -6.942 9.773 1.00 0.00 C ATOM 323 C CYS A 21 -4.300 -6.470 9.830 1.00 0.00 C ATOM 324 O CYS A 21 -4.651 -5.617 10.645 1.00 0.00 O ATOM 325 CB CYS A 21 -2.570 -7.911 10.923 1.00 0.00 C ATOM 326 SG CYS A 21 -1.345 -9.181 10.534 1.00 0.00 S ATOM 0 H CYS A 21 -1.539 -5.636 10.756 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.689 -7.461 8.828 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.227 -7.343 11.787 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.502 -8.397 11.211 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.174 -9.950 11.568 1.00 0.00 H new ATOM 332 N HIS A 22 -5.135 -7.021 8.958 1.00 0.00 N ATOM 333 CA HIS A 22 -6.541 -6.647 8.913 1.00 0.00 C ATOM 334 C HIS A 22 -7.350 -7.635 8.077 1.00 0.00 C ATOM 335 O HIS A 22 -7.212 -7.684 6.858 1.00 0.00 O ATOM 336 CB HIS A 22 -6.694 -5.238 8.338 1.00 0.00 C ATOM 337 CG HIS A 22 -7.909 -4.519 8.835 1.00 0.00 C ATOM 338 ND1 HIS A 22 -8.051 -4.093 10.139 1.00 0.00 N ATOM 339 CD2 HIS A 22 -9.045 -4.151 8.196 1.00 0.00 C ATOM 340 CE1 HIS A 22 -9.221 -3.496 10.281 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.843 -3.520 9.117 1.00 0.00 N ATOM 0 H HIS A 22 -4.863 -7.727 8.274 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.925 -6.666 9.933 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.808 -4.654 8.588 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.738 -5.301 7.251 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.279 -4.322 7.156 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.603 -3.062 11.193 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.768 -3.132 8.932 1.00 0.00 H new ATOM 350 N LYS A 23 -8.206 -8.406 8.750 1.00 0.00 N ATOM 351 CA LYS A 23 -9.070 -9.397 8.096 1.00 0.00 C ATOM 352 C LYS A 23 -8.455 -9.969 6.820 1.00 0.00 C ATOM 353 O LYS A 23 -8.813 -9.567 5.714 1.00 0.00 O ATOM 354 CB LYS A 23 -10.431 -8.780 7.776 1.00 0.00 C ATOM 355 CG LYS A 23 -10.354 -7.325 7.344 1.00 0.00 C ATOM 356 CD LYS A 23 -11.428 -6.985 6.325 1.00 0.00 C ATOM 357 CE LYS A 23 -12.821 -7.259 6.865 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.811 -6.257 6.385 1.00 0.00 N ATOM 0 H LYS A 23 -8.322 -8.363 9.763 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.188 -10.222 8.798 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.907 -9.360 6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.071 -8.856 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.462 -6.680 8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.371 -7.123 6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.346 -5.934 6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.268 -7.569 5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.138 -8.257 6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.796 -7.251 7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.154 -5.695 7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.359 -5.628 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.612 -6.747 5.938 1.00 0.00 H new ATOM 372 N GLY A 24 -7.541 -10.916 6.981 1.00 0.00 N ATOM 373 CA GLY A 24 -6.909 -11.540 5.830 1.00 0.00 C ATOM 374 C GLY A 24 -6.073 -10.581 5.006 1.00 0.00 C ATOM 375 O GLY A 24 -5.663 -10.919 3.897 1.00 0.00 O ATOM 0 H GLY A 24 -7.224 -11.265 7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.277 -12.359 6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.680 -11.976 5.194 1.00 0.00 H new ATOM 379 N HIS A 25 -5.815 -9.386 5.532 1.00 0.00 N ATOM 380 CA HIS A 25 -5.021 -8.407 4.801 1.00 0.00 C ATOM 381 C HIS A 25 -3.808 -7.943 5.598 1.00 0.00 C ATOM 382 O HIS A 25 -3.909 -7.629 6.783 1.00 0.00 O ATOM 383 CB HIS A 25 -5.885 -7.204 4.394 1.00 0.00 C ATOM 384 CG HIS A 25 -5.950 -7.024 2.914 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.855 -6.220 2.253 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.198 -7.603 1.957 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.625 -6.345 0.935 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.625 -7.179 0.716 1.00 0.00 N ATOM 0 H HIS A 25 -6.139 -9.077 6.448 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.652 -8.899 3.901 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.894 -7.336 4.786 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.482 -6.300 4.850 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.386 -8.293 2.135 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.181 -5.834 0.162 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.245 -7.454 -0.189 1.00 0.00 H new ATOM 396 N GLU A 26 -2.659 -7.900 4.928 1.00 0.00 N ATOM 397 CA GLU A 26 -1.418 -7.469 5.557 1.00 0.00 C ATOM 398 C GLU A 26 -0.813 -6.297 4.792 1.00 0.00 C ATOM 399 O GLU A 26 0.203 -6.442 4.113 1.00 0.00 O ATOM 400 CB GLU A 26 -0.422 -8.629 5.618 1.00 0.00 C ATOM 401 CG GLU A 26 -0.413 -9.355 6.954 1.00 0.00 C ATOM 402 CD GLU A 26 -0.735 -10.830 6.821 1.00 0.00 C ATOM 403 OE1 GLU A 26 -1.884 -11.158 6.458 1.00 0.00 O ATOM 404 OE2 GLU A 26 0.162 -11.660 7.079 1.00 0.00 O ATOM 0 H GLU A 26 -2.564 -8.160 3.946 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.641 -7.144 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.659 -9.342 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.579 -8.248 5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.567 -9.242 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.137 -8.888 7.621 1.00 0.00 H new ATOM 411 N PHE A 27 -1.453 -5.138 4.901 1.00 0.00 N ATOM 412 CA PHE A 27 -0.985 -3.938 4.213 1.00 0.00 C ATOM 413 C PHE A 27 0.406 -3.548 4.690 1.00 0.00 C ATOM 414 O PHE A 27 0.854 -3.974 5.750 1.00 0.00 O ATOM 415 CB PHE A 27 -1.953 -2.771 4.416 1.00 0.00 C ATOM 416 CG PHE A 27 -3.402 -3.173 4.420 1.00 0.00 C ATOM 417 CD1 PHE A 27 -4.049 -3.491 3.238 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.116 -3.230 5.607 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.381 -3.859 3.236 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.447 -3.595 5.613 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.082 -3.910 4.427 1.00 0.00 C ATOM 0 H PHE A 27 -2.297 -5.003 5.458 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.940 -4.167 3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.720 -2.279 5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.792 -2.037 3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.506 -3.451 2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.625 -2.986 6.538 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.873 -4.106 2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.992 -3.634 6.545 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.124 -4.195 4.430 1.00 0.00 H new ATOM 431 N ILE A 28 1.092 -2.749 3.884 1.00 0.00 N ATOM 432 CA ILE A 28 2.441 -2.311 4.210 1.00 0.00 C ATOM 433 C ILE A 28 2.570 -0.797 4.089 1.00 0.00 C ATOM 434 O ILE A 28 2.147 -0.206 3.097 1.00 0.00 O ATOM 435 CB ILE A 28 3.477 -2.977 3.288 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.129 -4.458 3.073 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.878 -2.821 3.861 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.505 -5.350 4.237 1.00 0.00 C ATOM 0 H ILE A 28 0.735 -2.391 2.998 1.00 0.00 H new ATOM 0 HA ILE A 28 2.634 -2.607 5.241 1.00 0.00 H new ATOM 0 HB ILE A 28 3.453 -2.480 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.058 -4.547 2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.636 -4.814 2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.598 -3.298 3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.117 -1.762 3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.924 -3.292 4.843 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.228 -6.380 4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.580 -5.292 4.407 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.978 -5.021 5.133 1.00 0.00 H new ATOM 450 N PRO A 29 3.162 -0.146 5.103 1.00 0.00 N ATOM 451 CA PRO A 29 3.344 1.306 5.105 1.00 0.00 C ATOM 452 C PRO A 29 4.369 1.763 4.079 1.00 0.00 C ATOM 453 O PRO A 29 5.554 1.452 4.187 1.00 0.00 O ATOM 454 CB PRO A 29 3.839 1.604 6.518 1.00 0.00 C ATOM 455 CG PRO A 29 4.473 0.337 6.977 1.00 0.00 C ATOM 456 CD PRO A 29 3.699 -0.773 6.325 1.00 0.00 C ATOM 0 HA PRO A 29 2.424 1.829 4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.554 2.427 6.521 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.016 1.894 7.172 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.524 0.300 6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.436 0.253 8.063 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.338 -1.625 6.092 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.902 -1.140 6.971 1.00 0.00 H new ATOM 464 N THR A 30 3.904 2.509 3.087 1.00 0.00 N ATOM 465 CA THR A 30 4.781 3.013 2.043 1.00 0.00 C ATOM 466 C THR A 30 4.198 4.270 1.403 1.00 0.00 C ATOM 467 O THR A 30 3.033 4.604 1.616 1.00 0.00 O ATOM 468 CB THR A 30 5.004 1.943 0.975 1.00 0.00 C ATOM 469 OG1 THR A 30 5.849 2.427 -0.054 1.00 0.00 O ATOM 470 CG2 THR A 30 3.719 1.471 0.328 1.00 0.00 C ATOM 0 H THR A 30 2.925 2.778 2.984 1.00 0.00 H new ATOM 0 HA THR A 30 5.738 3.268 2.499 1.00 0.00 H new ATOM 0 HB THR A 30 5.462 1.103 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.980 1.726 -0.726 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.946 0.712 -0.421 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.064 1.046 1.088 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.221 2.315 -0.150 1.00 0.00 H new ATOM 478 N LEU A 31 5.014 4.960 0.613 1.00 0.00 N ATOM 479 CA LEU A 31 4.579 6.175 -0.063 1.00 0.00 C ATOM 480 C LEU A 31 4.489 5.951 -1.568 1.00 0.00 C ATOM 481 O LEU A 31 5.128 5.048 -2.109 1.00 0.00 O ATOM 482 CB LEU A 31 5.542 7.325 0.236 1.00 0.00 C ATOM 483 CG LEU A 31 5.645 7.718 1.712 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.500 8.966 1.871 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.260 7.940 2.303 1.00 0.00 C ATOM 0 H LEU A 31 5.982 4.697 0.426 1.00 0.00 H new ATOM 0 HA LEU A 31 3.589 6.436 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.534 7.049 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.229 8.199 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 31 6.122 6.902 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.563 9.232 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.501 8.773 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.050 9.789 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.353 8.219 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.756 8.739 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.678 7.022 2.221 1.00 0.00 H new ATOM 497 N TYR A 32 3.690 6.773 -2.240 1.00 0.00 N ATOM 498 CA TYR A 32 3.518 6.658 -3.683 1.00 0.00 C ATOM 499 C TYR A 32 3.562 8.028 -4.350 1.00 0.00 C ATOM 500 O TYR A 32 2.661 8.848 -4.171 1.00 0.00 O ATOM 501 CB TYR A 32 2.197 5.957 -4.002 1.00 0.00 C ATOM 502 CG TYR A 32 2.263 4.453 -3.845 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.642 3.642 -4.905 1.00 0.00 C ATOM 504 CD2 TYR A 32 1.954 3.849 -2.632 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.710 2.269 -4.763 1.00 0.00 C ATOM 506 CE2 TYR A 32 2.021 2.477 -2.483 1.00 0.00 C ATOM 507 CZ TYR A 32 2.398 1.691 -3.550 1.00 0.00 C ATOM 508 OH TYR A 32 2.466 0.323 -3.402 1.00 0.00 O ATOM 0 H TYR A 32 3.152 7.525 -1.809 1.00 0.00 H new ATOM 0 HA TYR A 32 4.341 6.062 -4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.418 6.350 -3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.905 6.196 -5.025 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.888 4.091 -5.856 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.657 4.461 -1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.006 1.651 -5.598 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.779 2.022 -1.534 1.00 0.00 H new ATOM 0 HH TYR A 32 3.091 -0.047 -4.060 1.00 0.00 H new ATOM 518 N HIS A 33 4.621 8.271 -5.117 1.00 0.00 N ATOM 519 CA HIS A 33 4.790 9.542 -5.810 1.00 0.00 C ATOM 520 C HIS A 33 4.084 9.536 -7.166 1.00 0.00 C ATOM 521 O HIS A 33 3.912 10.585 -7.787 1.00 0.00 O ATOM 522 CB HIS A 33 6.277 9.845 -6.002 1.00 0.00 C ATOM 523 CG HIS A 33 7.029 9.992 -4.715 1.00 0.00 C ATOM 524 ND1 HIS A 33 7.686 11.149 -4.354 1.00 0.00 N ATOM 525 CD2 HIS A 33 7.225 9.119 -3.699 1.00 0.00 C ATOM 526 CE1 HIS A 33 8.256 10.981 -3.174 1.00 0.00 C ATOM 527 NE2 HIS A 33 7.990 9.758 -2.756 1.00 0.00 N ATOM 0 H HIS A 33 5.375 7.603 -5.274 1.00 0.00 H new ATOM 0 HA HIS A 33 4.338 10.319 -5.194 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.730 9.045 -6.588 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.381 10.763 -6.581 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.849 8.108 -3.641 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.840 11.718 -2.643 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.303 9.353 -1.874 1.00 0.00 H new ATOM 536 N PHE A 34 3.672 8.355 -7.622 1.00 0.00 N ATOM 537 CA PHE A 34 2.985 8.233 -8.904 1.00 0.00 C ATOM 538 C PHE A 34 1.494 7.977 -8.700 1.00 0.00 C ATOM 539 O PHE A 34 1.057 7.645 -7.600 1.00 0.00 O ATOM 540 CB PHE A 34 3.597 7.115 -9.752 1.00 0.00 C ATOM 541 CG PHE A 34 4.096 5.942 -8.955 1.00 0.00 C ATOM 542 CD1 PHE A 34 5.322 5.996 -8.310 1.00 0.00 C ATOM 543 CD2 PHE A 34 3.341 4.785 -8.855 1.00 0.00 C ATOM 544 CE1 PHE A 34 5.784 4.919 -7.579 1.00 0.00 C ATOM 545 CE2 PHE A 34 3.798 3.704 -8.125 1.00 0.00 C ATOM 546 CZ PHE A 34 5.021 3.771 -7.486 1.00 0.00 C ATOM 0 H PHE A 34 3.801 7.474 -7.125 1.00 0.00 H new ATOM 0 HA PHE A 34 3.108 9.177 -9.435 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.851 6.765 -10.465 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.424 7.525 -10.332 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.923 6.891 -8.380 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.384 4.727 -9.353 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.741 4.974 -7.081 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.200 2.808 -8.054 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.380 2.928 -6.915 1.00 0.00 H new ATOM 556 N PRO A 35 0.692 8.141 -9.766 1.00 0.00 N ATOM 557 CA PRO A 35 -0.759 7.939 -9.706 1.00 0.00 C ATOM 558 C PRO A 35 -1.144 6.526 -9.274 1.00 0.00 C ATOM 559 O PRO A 35 -1.082 5.586 -10.065 1.00 0.00 O ATOM 560 CB PRO A 35 -1.223 8.197 -11.144 1.00 0.00 C ATOM 561 CG PRO A 35 -0.133 9.004 -11.762 1.00 0.00 C ATOM 562 CD PRO A 35 1.136 8.545 -11.111 1.00 0.00 C ATOM 0 HA PRO A 35 -1.220 8.596 -8.968 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.376 7.262 -11.683 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.171 8.735 -11.162 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.097 8.851 -12.841 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.294 10.069 -11.597 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.590 7.715 -11.652 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.879 9.342 -11.068 1.00 0.00 H new ATOM 570 N THR A 36 -1.555 6.389 -8.017 1.00 0.00 N ATOM 571 CA THR A 36 -1.967 5.098 -7.482 1.00 0.00 C ATOM 572 C THR A 36 -3.421 5.164 -7.017 1.00 0.00 C ATOM 573 O THR A 36 -3.860 6.173 -6.469 1.00 0.00 O ATOM 574 CB THR A 36 -1.045 4.677 -6.329 1.00 0.00 C ATOM 575 OG1 THR A 36 0.230 4.312 -6.820 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.573 3.507 -5.522 1.00 0.00 C ATOM 0 H THR A 36 -1.611 7.158 -7.350 1.00 0.00 H new ATOM 0 HA THR A 36 -1.889 4.348 -8.269 1.00 0.00 H new ATOM 0 HB THR A 36 -0.991 5.548 -5.676 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.836 4.148 -6.067 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.868 3.267 -4.726 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.537 3.771 -5.086 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.694 2.641 -6.173 1.00 0.00 H new ATOM 584 N ASN A 37 -4.167 4.090 -7.255 1.00 0.00 N ATOM 585 CA ASN A 37 -5.575 4.043 -6.871 1.00 0.00 C ATOM 586 C ASN A 37 -5.778 3.249 -5.586 1.00 0.00 C ATOM 587 O ASN A 37 -5.071 2.275 -5.324 1.00 0.00 O ATOM 588 CB ASN A 37 -6.408 3.428 -7.997 1.00 0.00 C ATOM 589 CG ASN A 37 -6.761 4.437 -9.072 1.00 0.00 C ATOM 590 OD1 ASN A 37 -7.853 5.006 -9.071 1.00 0.00 O ATOM 591 ND2 ASN A 37 -5.838 4.662 -9.999 1.00 0.00 N ATOM 0 H ASN A 37 -3.823 3.244 -7.710 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.904 5.067 -6.692 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.855 2.602 -8.445 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.324 3.009 -7.581 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.020 5.329 -10.749 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.946 4.168 -9.961 1.00 0.00 H new ATOM 598 N CYS A 38 -6.757 3.672 -4.791 1.00 0.00 N ATOM 599 CA CYS A 38 -7.072 3.003 -3.534 1.00 0.00 C ATOM 600 C CYS A 38 -8.213 2.007 -3.737 1.00 0.00 C ATOM 601 O CYS A 38 -9.132 2.253 -4.517 1.00 0.00 O ATOM 602 CB CYS A 38 -7.434 4.045 -2.461 1.00 0.00 C ATOM 603 SG CYS A 38 -8.651 3.490 -1.217 1.00 0.00 S ATOM 0 H CYS A 38 -7.347 4.478 -4.997 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.197 2.450 -3.194 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.521 4.344 -1.945 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.825 4.933 -2.957 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.469 4.463 -0.946 1.00 0.00 H new ATOM 608 N GLU A 39 -8.142 0.880 -3.037 1.00 0.00 N ATOM 609 CA GLU A 39 -9.164 -0.155 -3.146 1.00 0.00 C ATOM 610 C GLU A 39 -10.368 0.163 -2.263 1.00 0.00 C ATOM 611 O GLU A 39 -11.511 -0.102 -2.636 1.00 0.00 O ATOM 612 CB GLU A 39 -8.580 -1.519 -2.765 1.00 0.00 C ATOM 613 CG GLU A 39 -8.288 -2.410 -3.961 1.00 0.00 C ATOM 614 CD GLU A 39 -9.537 -3.060 -4.523 1.00 0.00 C ATOM 615 OE1 GLU A 39 -10.165 -3.863 -3.800 1.00 0.00 O ATOM 616 OE2 GLU A 39 -9.888 -2.765 -5.684 1.00 0.00 O ATOM 0 H GLU A 39 -7.387 0.660 -2.388 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.501 -0.187 -4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.659 -1.366 -2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.277 -2.031 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.808 -1.819 -4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.580 -3.185 -3.668 1.00 0.00 H new ATOM 623 N ALA A 40 -10.106 0.729 -1.089 1.00 0.00 N ATOM 624 CA ALA A 40 -11.168 1.077 -0.152 1.00 0.00 C ATOM 625 C ALA A 40 -12.202 1.999 -0.800 1.00 0.00 C ATOM 626 O ALA A 40 -13.209 1.532 -1.334 1.00 0.00 O ATOM 627 CB ALA A 40 -10.577 1.720 1.096 1.00 0.00 C ATOM 0 H ALA A 40 -9.166 0.957 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.681 0.160 0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.379 1.976 1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.892 1.021 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.036 2.624 0.818 1.00 0.00 H new ATOM 633 N CYS A 41 -11.949 3.304 -0.754 1.00 0.00 N ATOM 634 CA CYS A 41 -12.864 4.279 -1.337 1.00 0.00 C ATOM 635 C CYS A 41 -12.639 4.403 -2.842 1.00 0.00 C ATOM 636 O CYS A 41 -11.916 3.606 -3.440 1.00 0.00 O ATOM 637 CB CYS A 41 -12.688 5.645 -0.664 1.00 0.00 C ATOM 638 SG CYS A 41 -11.122 6.488 -1.064 1.00 0.00 S ATOM 0 H CYS A 41 -11.120 3.710 -0.320 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.883 3.931 -1.169 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.518 6.289 -0.955 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.750 5.514 0.416 1.00 0.00 H new ATOM 0 HG CYS A 41 -11.075 7.631 -0.447 1.00 0.00 H new ATOM 643 N MET A 42 -13.267 5.406 -3.448 1.00 0.00 N ATOM 644 CA MET A 42 -13.135 5.634 -4.883 1.00 0.00 C ATOM 645 C MET A 42 -12.060 6.677 -5.175 1.00 0.00 C ATOM 646 O MET A 42 -11.485 6.698 -6.264 1.00 0.00 O ATOM 647 CB MET A 42 -14.473 6.086 -5.471 1.00 0.00 C ATOM 648 CG MET A 42 -15.541 5.003 -5.458 1.00 0.00 C ATOM 649 SD MET A 42 -15.600 4.067 -6.998 1.00 0.00 S ATOM 650 CE MET A 42 -16.019 2.437 -6.387 1.00 0.00 C ATOM 0 H MET A 42 -13.872 6.073 -2.968 1.00 0.00 H new ATOM 0 HA MET A 42 -12.837 4.695 -5.349 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.834 6.948 -4.910 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.316 6.417 -6.497 1.00 0.00 H new ATOM 0 HG2 MET A 42 -15.351 4.321 -4.630 1.00 0.00 H new ATOM 0 HG3 MET A 42 -16.514 5.460 -5.278 1.00 0.00 H new ATOM 0 HE1 MET A 42 -16.092 1.742 -7.224 1.00 0.00 H new ATOM 0 HE2 MET A 42 -15.245 2.096 -5.699 1.00 0.00 H new ATOM 0 HE3 MET A 42 -16.975 2.479 -5.865 1.00 0.00 H new ATOM 660 N LYS A 43 -11.793 7.541 -4.201 1.00 0.00 N ATOM 661 CA LYS A 43 -10.786 8.587 -4.356 1.00 0.00 C ATOM 662 C LYS A 43 -9.436 7.993 -4.757 1.00 0.00 C ATOM 663 O LYS A 43 -9.161 6.821 -4.498 1.00 0.00 O ATOM 664 CB LYS A 43 -10.645 9.382 -3.057 1.00 0.00 C ATOM 665 CG LYS A 43 -11.078 10.835 -3.184 1.00 0.00 C ATOM 666 CD LYS A 43 -10.215 11.751 -2.330 1.00 0.00 C ATOM 667 CE LYS A 43 -11.039 12.473 -1.274 1.00 0.00 C ATOM 668 NZ LYS A 43 -11.298 13.891 -1.644 1.00 0.00 N ATOM 0 H LYS A 43 -12.260 7.538 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.114 9.258 -5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.239 8.901 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.606 9.348 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.016 11.144 -4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.121 10.932 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.433 11.167 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.718 12.482 -2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.988 11.955 -1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.516 12.437 -0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.862 14.347 -0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.393 14.393 -1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.820 13.925 -2.543 1.00 0.00 H new ATOM 682 N PRO A 44 -8.573 8.798 -5.399 1.00 0.00 N ATOM 683 CA PRO A 44 -7.248 8.349 -5.837 1.00 0.00 C ATOM 684 C PRO A 44 -6.290 8.143 -4.667 1.00 0.00 C ATOM 685 O PRO A 44 -6.703 8.133 -3.509 1.00 0.00 O ATOM 686 CB PRO A 44 -6.762 9.493 -6.728 1.00 0.00 C ATOM 687 CG PRO A 44 -7.478 10.696 -6.223 1.00 0.00 C ATOM 688 CD PRO A 44 -8.821 10.211 -5.749 1.00 0.00 C ATOM 0 HA PRO A 44 -7.292 7.385 -6.343 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.681 9.617 -6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.995 9.305 -7.776 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.924 11.167 -5.411 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.588 11.443 -7.009 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.173 10.782 -4.890 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.579 10.305 -6.527 1.00 0.00 H new ATOM 696 N LEU A 45 -5.009 7.979 -4.982 1.00 0.00 N ATOM 697 CA LEU A 45 -3.991 7.772 -3.958 1.00 0.00 C ATOM 698 C LEU A 45 -2.602 8.087 -4.506 1.00 0.00 C ATOM 699 O LEU A 45 -2.032 7.301 -5.262 1.00 0.00 O ATOM 700 CB LEU A 45 -4.043 6.329 -3.443 1.00 0.00 C ATOM 701 CG LEU A 45 -2.932 5.943 -2.461 1.00 0.00 C ATOM 702 CD1 LEU A 45 -2.902 6.899 -1.281 1.00 0.00 C ATOM 703 CD2 LEU A 45 -3.117 4.513 -1.979 1.00 0.00 C ATOM 0 H LEU A 45 -4.651 7.985 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.195 8.450 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.006 6.168 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.000 5.654 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.978 6.011 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.106 6.607 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.719 7.912 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.859 6.865 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.318 4.258 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.080 4.420 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.086 3.835 -2.832 1.00 0.00 H new ATOM 715 N TRP A 46 -2.061 9.240 -4.119 1.00 0.00 N ATOM 716 CA TRP A 46 -0.734 9.661 -4.571 1.00 0.00 C ATOM 717 C TRP A 46 -0.455 11.108 -4.174 1.00 0.00 C ATOM 718 O TRP A 46 -1.313 11.785 -3.611 1.00 0.00 O ATOM 719 CB TRP A 46 -0.604 9.511 -6.089 1.00 0.00 C ATOM 720 CG TRP A 46 -1.746 10.116 -6.848 1.00 0.00 C ATOM 721 CD1 TRP A 46 -2.900 9.494 -7.225 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.841 11.463 -7.323 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.709 10.372 -7.905 1.00 0.00 N ATOM 724 CE2 TRP A 46 -3.081 11.588 -7.978 1.00 0.00 C ATOM 725 CE3 TRP A 46 -1.000 12.577 -7.257 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -3.498 12.781 -8.563 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -1.416 13.761 -7.837 1.00 0.00 C ATOM 728 CH2 TRP A 46 -2.654 13.855 -8.484 1.00 0.00 C ATOM 0 H TRP A 46 -2.521 9.901 -3.493 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.001 9.016 -4.086 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.326 9.977 -6.414 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.533 8.452 -6.337 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.142 8.462 -7.019 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.627 10.154 -8.292 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.042 12.514 -6.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.453 12.856 -9.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.775 14.629 -7.790 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.949 14.794 -8.929 1.00 0.00 H new ATOM 739 N HIS A 47 0.754 11.572 -4.475 1.00 0.00 N ATOM 740 CA HIS A 47 1.155 12.939 -4.156 1.00 0.00 C ATOM 741 C HIS A 47 2.604 13.186 -4.565 1.00 0.00 C ATOM 742 O HIS A 47 3.501 12.426 -4.197 1.00 0.00 O ATOM 743 CB HIS A 47 0.976 13.215 -2.661 1.00 0.00 C ATOM 744 CG HIS A 47 0.124 14.412 -2.374 1.00 0.00 C ATOM 745 ND1 HIS A 47 -1.170 14.319 -1.904 1.00 0.00 N ATOM 746 CD2 HIS A 47 0.385 15.735 -2.492 1.00 0.00 C ATOM 747 CE1 HIS A 47 -1.667 15.534 -1.745 1.00 0.00 C ATOM 748 NE2 HIS A 47 -0.744 16.409 -2.095 1.00 0.00 N ATOM 0 H HIS A 47 1.475 11.020 -4.940 1.00 0.00 H new ATOM 0 HA HIS A 47 0.515 13.620 -4.718 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.530 12.340 -2.189 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.956 13.359 -2.206 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.309 16.178 -2.834 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.659 15.770 -1.389 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.851 17.423 -2.074 1.00 0.00 H new ATOM 757 N MET A 48 2.828 14.250 -5.328 1.00 0.00 N ATOM 758 CA MET A 48 4.168 14.594 -5.788 1.00 0.00 C ATOM 759 C MET A 48 4.936 15.359 -4.715 1.00 0.00 C ATOM 760 O MET A 48 6.084 15.036 -4.410 1.00 0.00 O ATOM 761 CB MET A 48 4.092 15.427 -7.068 1.00 0.00 C ATOM 762 CG MET A 48 3.698 14.621 -8.294 1.00 0.00 C ATOM 763 SD MET A 48 1.927 14.293 -8.370 1.00 0.00 S ATOM 764 CE MET A 48 1.374 15.647 -9.403 1.00 0.00 C ATOM 0 H MET A 48 2.098 14.890 -5.641 1.00 0.00 H new ATOM 0 HA MET A 48 4.701 13.666 -5.996 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.371 16.232 -6.926 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.061 15.894 -7.246 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.003 15.160 -9.191 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.239 13.675 -8.291 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.295 15.581 -9.542 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.621 16.594 -8.924 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.869 15.591 -10.372 1.00 0.00 H new ATOM 774 N PHE A 49 4.296 16.376 -4.147 1.00 0.00 N ATOM 775 CA PHE A 49 4.922 17.189 -3.111 1.00 0.00 C ATOM 776 C PHE A 49 5.149 16.374 -1.841 1.00 0.00 C ATOM 777 O PHE A 49 6.279 16.011 -1.518 1.00 0.00 O ATOM 778 CB PHE A 49 4.055 18.410 -2.797 1.00 0.00 C ATOM 779 CG PHE A 49 4.098 19.465 -3.866 1.00 0.00 C ATOM 780 CD1 PHE A 49 5.220 20.263 -4.025 1.00 0.00 C ATOM 781 CD2 PHE A 49 3.018 19.658 -4.712 1.00 0.00 C ATOM 782 CE1 PHE A 49 5.262 21.235 -5.006 1.00 0.00 C ATOM 783 CE2 PHE A 49 3.054 20.629 -5.694 1.00 0.00 C ATOM 784 CZ PHE A 49 4.178 21.419 -5.843 1.00 0.00 C ATOM 0 H PHE A 49 3.345 16.656 -4.387 1.00 0.00 H new ATOM 0 HA PHE A 49 5.890 17.524 -3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.023 18.087 -2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.383 18.846 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.071 20.123 -3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.138 19.042 -4.603 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.142 21.851 -5.119 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.204 20.771 -6.345 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.209 22.178 -6.611 1.00 0.00 H new ATOM 794 N LYS A 50 4.067 16.093 -1.122 1.00 0.00 N ATOM 795 CA LYS A 50 4.149 15.325 0.114 1.00 0.00 C ATOM 796 C LYS A 50 3.284 14.067 0.036 1.00 0.00 C ATOM 797 O LYS A 50 2.090 14.108 0.333 1.00 0.00 O ATOM 798 CB LYS A 50 3.709 16.183 1.299 1.00 0.00 C ATOM 799 CG LYS A 50 4.703 17.276 1.660 1.00 0.00 C ATOM 800 CD LYS A 50 6.009 16.693 2.175 1.00 0.00 C ATOM 801 CE LYS A 50 6.699 17.641 3.143 1.00 0.00 C ATOM 802 NZ LYS A 50 6.440 17.273 4.562 1.00 0.00 N ATOM 0 H LYS A 50 3.123 16.386 -1.375 1.00 0.00 H new ATOM 0 HA LYS A 50 5.187 15.022 0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.747 16.640 1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.557 15.540 2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.900 17.894 0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.270 17.927 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.814 15.743 2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.671 16.483 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.773 17.632 2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.353 18.659 2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.928 17.944 5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.417 17.306 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.794 16.312 4.741 1.00 0.00 H new ATOM 816 N PRO A 51 3.876 12.926 -0.362 1.00 0.00 N ATOM 817 CA PRO A 51 3.148 11.658 -0.471 1.00 0.00 C ATOM 818 C PRO A 51 2.665 11.154 0.887 1.00 0.00 C ATOM 819 O PRO A 51 3.467 10.906 1.786 1.00 0.00 O ATOM 820 CB PRO A 51 4.180 10.694 -1.064 1.00 0.00 C ATOM 821 CG PRO A 51 5.501 11.292 -0.722 1.00 0.00 C ATOM 822 CD PRO A 51 5.295 12.780 -0.734 1.00 0.00 C ATOM 0 HA PRO A 51 2.248 11.758 -1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.077 9.695 -0.641 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.057 10.598 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.842 10.953 0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.262 10.997 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.951 13.283 -0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.500 13.207 -1.716 1.00 0.00 H new ATOM 830 N PRO A 52 1.340 10.995 1.054 1.00 0.00 N ATOM 831 CA PRO A 52 0.754 10.518 2.311 1.00 0.00 C ATOM 832 C PRO A 52 1.093 9.058 2.592 1.00 0.00 C ATOM 833 O PRO A 52 1.362 8.287 1.669 1.00 0.00 O ATOM 834 CB PRO A 52 -0.751 10.686 2.091 1.00 0.00 C ATOM 835 CG PRO A 52 -0.925 10.642 0.613 1.00 0.00 C ATOM 836 CD PRO A 52 0.310 11.267 0.033 1.00 0.00 C ATOM 0 HA PRO A 52 1.135 11.068 3.171 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.314 9.891 2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.109 11.629 2.504 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.044 9.616 0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.818 11.188 0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.571 10.825 -0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.180 12.337 -0.132 1.00 0.00 H new ATOM 844 N PRO A 53 1.083 8.655 3.874 1.00 0.00 N ATOM 845 CA PRO A 53 1.390 7.276 4.271 1.00 0.00 C ATOM 846 C PRO A 53 0.364 6.283 3.733 1.00 0.00 C ATOM 847 O PRO A 53 -0.679 6.067 4.346 1.00 0.00 O ATOM 848 CB PRO A 53 1.340 7.319 5.802 1.00 0.00 C ATOM 849 CG PRO A 53 0.509 8.512 6.128 1.00 0.00 C ATOM 850 CD PRO A 53 0.771 9.507 5.033 1.00 0.00 C ATOM 0 HA PRO A 53 2.350 6.943 3.876 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.900 6.408 6.208 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.340 7.406 6.227 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.548 8.251 6.174 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.779 8.922 7.101 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.097 10.139 4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.600 10.170 5.281 1.00 0.00 H new ATOM 858 N ALA A 54 0.668 5.686 2.586 1.00 0.00 N ATOM 859 CA ALA A 54 -0.228 4.718 1.968 1.00 0.00 C ATOM 860 C ALA A 54 0.085 3.304 2.442 1.00 0.00 C ATOM 861 O ALA A 54 1.190 3.023 2.903 1.00 0.00 O ATOM 862 CB ALA A 54 -0.131 4.802 0.452 1.00 0.00 C ATOM 0 H ALA A 54 1.529 5.856 2.066 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.248 4.958 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.806 4.073 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.409 5.804 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.892 4.589 0.141 1.00 0.00 H new ATOM 868 N LEU A 55 -0.897 2.417 2.326 1.00 0.00 N ATOM 869 CA LEU A 55 -0.725 1.031 2.743 1.00 0.00 C ATOM 870 C LEU A 55 -0.864 0.084 1.555 1.00 0.00 C ATOM 871 O LEU A 55 -1.957 -0.099 1.019 1.00 0.00 O ATOM 872 CB LEU A 55 -1.745 0.673 3.826 1.00 0.00 C ATOM 873 CG LEU A 55 -1.788 1.629 5.017 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.753 1.120 6.076 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.395 1.809 5.604 1.00 0.00 C ATOM 0 H LEU A 55 -1.819 2.633 1.947 1.00 0.00 H new ATOM 0 HA LEU A 55 0.279 0.921 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.736 0.637 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.526 -0.330 4.193 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.143 2.599 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.770 1.814 6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.753 1.042 5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.429 0.139 6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.443 2.493 6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.013 0.844 5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.270 2.219 4.844 1.00 0.00 H new ATOM 887 N GLU A 56 0.254 -0.510 1.148 1.00 0.00 N ATOM 888 CA GLU A 56 0.265 -1.436 0.021 1.00 0.00 C ATOM 889 C GLU A 56 0.195 -2.882 0.496 1.00 0.00 C ATOM 890 O GLU A 56 0.920 -3.281 1.405 1.00 0.00 O ATOM 891 CB GLU A 56 1.526 -1.230 -0.820 1.00 0.00 C ATOM 892 CG GLU A 56 1.492 -1.960 -2.154 1.00 0.00 C ATOM 893 CD GLU A 56 2.874 -2.341 -2.644 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.652 -2.907 -1.845 1.00 0.00 O ATOM 895 OE2 GLU A 56 3.180 -2.078 -3.825 1.00 0.00 O ATOM 0 H GLU A 56 1.165 -0.366 1.583 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.615 -1.231 -0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.662 -0.164 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.392 -1.569 -0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.884 -2.860 -2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.008 -1.327 -2.898 1.00 0.00 H new ATOM 902 N CYS A 57 -0.678 -3.665 -0.130 1.00 0.00 N ATOM 903 CA CYS A 57 -0.832 -5.067 0.231 1.00 0.00 C ATOM 904 C CYS A 57 0.317 -5.897 -0.334 1.00 0.00 C ATOM 905 O CYS A 57 0.695 -5.742 -1.494 1.00 0.00 O ATOM 906 CB CYS A 57 -2.172 -5.602 -0.282 1.00 0.00 C ATOM 907 SG CYS A 57 -2.426 -7.383 0.009 1.00 0.00 S ATOM 0 H CYS A 57 -1.287 -3.353 -0.887 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.813 -5.146 1.318 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.979 -5.048 0.198 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.243 -5.406 -1.352 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.493 -7.832 0.795 1.00 0.00 H new ATOM 912 N ARG A 58 0.867 -6.778 0.496 1.00 0.00 N ATOM 913 CA ARG A 58 1.972 -7.633 0.079 1.00 0.00 C ATOM 914 C ARG A 58 1.461 -8.990 -0.402 1.00 0.00 C ATOM 915 O ARG A 58 2.151 -10.003 -0.289 1.00 0.00 O ATOM 916 CB ARG A 58 2.963 -7.817 1.231 1.00 0.00 C ATOM 917 CG ARG A 58 2.388 -8.584 2.411 1.00 0.00 C ATOM 918 CD ARG A 58 3.412 -8.752 3.523 1.00 0.00 C ATOM 919 NE ARG A 58 3.907 -10.124 3.611 1.00 0.00 N ATOM 920 CZ ARG A 58 4.962 -10.582 2.936 1.00 0.00 C ATOM 921 NH1 ARG A 58 5.640 -9.785 2.121 1.00 0.00 N ATOM 922 NH2 ARG A 58 5.339 -11.846 3.080 1.00 0.00 N ATOM 0 H ARG A 58 0.566 -6.918 1.460 1.00 0.00 H new ATOM 0 HA ARG A 58 2.483 -7.148 -0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.844 -8.342 0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.296 -6.837 1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.515 -8.058 2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.048 -9.565 2.077 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.249 -8.075 3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.963 -8.467 4.475 1.00 0.00 H new ATOM 0 HE ARG A 58 3.415 -10.771 4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.356 -8.812 2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.446 -10.145 1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.822 -12.464 3.706 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.145 -12.199 2.565 1.00 0.00 H new ATOM 936 N ARG A 59 0.242 -8.998 -0.937 1.00 0.00 N ATOM 937 CA ARG A 59 -0.372 -10.221 -1.439 1.00 0.00 C ATOM 938 C ARG A 59 -1.019 -9.987 -2.805 1.00 0.00 C ATOM 939 O ARG A 59 -0.451 -10.345 -3.836 1.00 0.00 O ATOM 940 CB ARG A 59 -1.414 -10.736 -0.443 1.00 0.00 C ATOM 941 CG ARG A 59 -0.859 -10.985 0.951 1.00 0.00 C ATOM 942 CD ARG A 59 -1.785 -10.442 2.027 1.00 0.00 C ATOM 943 NE ARG A 59 -2.658 -11.478 2.572 1.00 0.00 N ATOM 944 CZ ARG A 59 -2.266 -12.381 3.467 1.00 0.00 C ATOM 945 NH1 ARG A 59 -1.019 -12.378 3.921 1.00 0.00 N ATOM 946 NH2 ARG A 59 -3.124 -13.290 3.910 1.00 0.00 N ATOM 0 H ARG A 59 -0.341 -8.166 -1.033 1.00 0.00 H new ATOM 0 HA ARG A 59 0.410 -10.972 -1.556 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.228 -10.014 -0.376 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.841 -11.663 -0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.715 -12.055 1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.121 -10.516 1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.191 -10.009 2.832 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.392 -9.638 1.611 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.624 -11.511 2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.355 -11.681 3.584 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.724 -13.073 4.607 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.084 -13.297 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.824 -13.983 4.596 1.00 0.00 H new ATOM 960 N CYS A 60 -2.207 -9.383 -2.807 1.00 0.00 N ATOM 961 CA CYS A 60 -2.923 -9.103 -4.050 1.00 0.00 C ATOM 962 C CYS A 60 -2.456 -7.786 -4.676 1.00 0.00 C ATOM 963 O CYS A 60 -2.846 -7.455 -5.796 1.00 0.00 O ATOM 964 CB CYS A 60 -4.433 -9.057 -3.799 1.00 0.00 C ATOM 965 SG CYS A 60 -4.999 -7.601 -2.859 1.00 0.00 S ATOM 0 H CYS A 60 -2.693 -9.079 -1.963 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.702 -9.910 -4.749 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.949 -9.077 -4.759 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.727 -9.958 -3.260 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.175 -7.369 -1.881 1.00 0.00 H new ATOM 970 N HIS A 61 -1.627 -7.037 -3.947 1.00 0.00 N ATOM 971 CA HIS A 61 -1.112 -5.758 -4.429 1.00 0.00 C ATOM 972 C HIS A 61 -2.215 -4.708 -4.499 1.00 0.00 C ATOM 973 O HIS A 61 -2.935 -4.611 -5.494 1.00 0.00 O ATOM 974 CB HIS A 61 -0.453 -5.919 -5.803 1.00 0.00 C ATOM 975 CG HIS A 61 0.714 -6.856 -5.802 1.00 0.00 C ATOM 976 ND1 HIS A 61 2.015 -6.436 -5.987 1.00 0.00 N ATOM 977 CD2 HIS A 61 0.774 -8.198 -5.638 1.00 0.00 C ATOM 978 CE1 HIS A 61 2.824 -7.480 -5.938 1.00 0.00 C ATOM 979 NE2 HIS A 61 2.095 -8.561 -5.727 1.00 0.00 N ATOM 0 H HIS A 61 -1.298 -7.297 -3.017 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.360 -5.418 -3.716 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.197 -6.279 -6.513 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.123 -4.942 -6.155 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.062 -8.860 -5.469 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.898 -7.454 -6.051 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.455 -9.512 -5.644 1.00 0.00 H new ATOM 988 N ILE A 62 -2.336 -3.919 -3.436 1.00 0.00 N ATOM 989 CA ILE A 62 -3.343 -2.866 -3.367 1.00 0.00 C ATOM 990 C ILE A 62 -2.929 -1.791 -2.374 1.00 0.00 C ATOM 991 O ILE A 62 -2.498 -2.094 -1.263 1.00 0.00 O ATOM 992 CB ILE A 62 -4.721 -3.418 -2.959 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.642 -4.122 -1.601 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.239 -4.368 -4.023 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.779 -3.764 -0.668 1.00 0.00 C ATOM 0 H ILE A 62 -1.746 -3.990 -2.607 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.420 -2.437 -4.366 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.416 -2.583 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.638 -5.200 -1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.696 -3.867 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.214 -4.752 -3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.333 -3.837 -4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.542 -5.198 -4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.659 -4.299 0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.771 -2.690 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.728 -4.045 -1.126 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.058 -0.533 -2.776 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.689 0.569 -1.902 1.00 0.00 C ATOM 1009 C LYS A 63 -3.915 1.206 -1.266 1.00 0.00 C ATOM 1010 O LYS A 63 -4.980 1.267 -1.876 1.00 0.00 O ATOM 1011 CB LYS A 63 -1.903 1.630 -2.668 1.00 0.00 C ATOM 1012 CG LYS A 63 -0.722 1.076 -3.445 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.174 0.359 -4.707 1.00 0.00 C ATOM 1014 CE LYS A 63 -0.077 0.341 -5.761 1.00 0.00 C ATOM 1015 NZ LYS A 63 -0.520 -0.342 -7.009 1.00 0.00 N ATOM 0 H LYS A 63 -3.411 -0.254 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.060 0.158 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.575 2.138 -3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.543 2.381 -1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.045 1.889 -3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.161 0.386 -2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.462 -0.663 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.059 0.852 -5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.221 1.363 -5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.802 -0.165 -5.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.255 -0.334 -7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.781 -1.325 -6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.343 0.156 -7.404 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.749 1.684 -0.039 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.835 2.325 0.691 1.00 0.00 C ATOM 1031 C CYS A 64 -4.282 3.238 1.781 1.00 0.00 C ATOM 1032 O CYS A 64 -3.609 2.773 2.702 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.748 1.273 1.321 1.00 0.00 C ATOM 1034 SG CYS A 64 -6.779 0.369 0.142 1.00 0.00 S ATOM 0 H CYS A 64 -2.868 1.639 0.473 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.411 2.923 -0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -5.134 0.559 1.869 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.395 1.762 2.050 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.224 0.400 -1.033 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.561 4.536 1.667 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.085 5.522 2.648 1.00 0.00 C ATOM 1042 C HIS A 65 -4.116 4.970 4.062 1.00 0.00 C ATOM 1043 O HIS A 65 -5.125 4.425 4.507 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.917 6.818 2.633 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.964 6.883 1.566 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -7.008 6.064 1.369 1.00 0.00 N flip ATOM 1047 CD2 HIS A 65 -6.055 7.857 0.594 1.00 0.00 C flip ATOM 1048 CE1 HIS A 65 -7.762 6.508 0.295 1.00 0.00 C flip ATOM 1049 NE2 HIS A 65 -7.150 7.594 -0.144 1.00 0.00 N flip ATOM 0 H HIS A 65 -5.114 4.933 0.907 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.060 5.746 2.353 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.400 6.933 3.603 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.241 7.665 2.511 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.372 8.681 0.451 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.662 6.060 -0.101 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -7.465 8.157 -0.935 1.00 0.00 H new ATOM 1057 N LYS A 66 -3.020 5.161 4.780 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.940 4.728 6.162 1.00 0.00 C ATOM 1059 C LYS A 66 -4.143 5.273 6.923 1.00 0.00 C ATOM 1060 O LYS A 66 -4.626 4.663 7.877 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.636 5.214 6.801 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.523 4.882 8.282 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.214 4.168 8.600 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.456 2.773 9.157 1.00 0.00 C ATOM 1065 NZ LYS A 66 -0.069 2.673 10.592 1.00 0.00 N ATOM 0 H LYS A 66 -2.176 5.612 4.427 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.948 3.639 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.794 4.768 6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.558 6.294 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.589 5.799 8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.362 4.253 8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.392 4.099 7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.355 4.755 9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.509 2.516 9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.112 2.047 8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.249 1.707 10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.942 2.894 10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.629 3.348 11.151 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.618 6.440 6.481 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.764 7.094 7.099 1.00 0.00 C ATOM 1081 C ASP A 67 -6.935 6.131 7.281 1.00 0.00 C ATOM 1082 O ASP A 67 -7.556 6.100 8.343 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.205 8.293 6.257 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.221 9.444 6.331 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -4.498 9.543 7.344 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -5.177 10.249 5.377 1.00 0.00 O ATOM 0 H ASP A 67 -4.221 6.950 5.692 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.454 7.436 8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.319 7.982 5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.183 8.632 6.597 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.243 5.347 6.246 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.362 4.397 6.338 1.00 0.00 C ATOM 1093 C HIS A 68 -8.216 3.496 7.561 1.00 0.00 C ATOM 1094 O HIS A 68 -9.151 3.343 8.348 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.476 3.530 5.081 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.089 4.240 3.916 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.077 5.196 4.025 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.779 4.173 2.602 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.325 5.672 2.796 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.559 5.084 1.898 1.00 0.00 N ATOM 0 H HIS A 68 -6.749 5.346 5.353 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.271 4.991 6.433 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.483 3.180 4.800 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.072 2.647 5.312 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -10.537 5.489 4.887 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.041 3.515 2.167 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.055 6.436 2.572 1.00 0.00 H new ATOM 1108 N MET A 69 -7.038 2.897 7.713 1.00 0.00 N ATOM 1109 CA MET A 69 -6.772 2.008 8.839 1.00 0.00 C ATOM 1110 C MET A 69 -6.835 2.763 10.162 1.00 0.00 C ATOM 1111 O MET A 69 -7.499 2.332 11.103 1.00 0.00 O ATOM 1112 CB MET A 69 -5.402 1.346 8.679 1.00 0.00 C ATOM 1113 CG MET A 69 -5.056 0.384 9.804 1.00 0.00 C ATOM 1114 SD MET A 69 -6.067 -1.110 9.775 1.00 0.00 S ATOM 1115 CE MET A 69 -5.679 -1.747 8.146 1.00 0.00 C ATOM 0 H MET A 69 -6.254 3.011 7.071 1.00 0.00 H new ATOM 0 HA MET A 69 -7.543 1.237 8.849 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.376 0.808 7.731 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.637 2.121 8.627 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.004 0.108 9.730 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.187 0.888 10.761 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.578 -1.743 7.530 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.918 -1.119 7.682 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.304 -2.767 8.234 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.136 3.893 10.228 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.111 4.706 11.439 1.00 0.00 C ATOM 1127 C ASP A 70 -7.519 5.146 11.831 1.00 0.00 C ATOM 1128 O ASP A 70 -7.815 5.340 13.010 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.221 5.933 11.237 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.344 6.215 12.441 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -4.882 6.662 13.475 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -3.119 5.989 12.350 1.00 0.00 O ATOM 0 H ASP A 70 -5.580 4.266 9.458 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.702 4.097 12.245 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.592 5.782 10.360 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.846 6.803 11.035 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.384 5.303 10.833 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.760 5.722 11.072 1.00 0.00 C ATOM 1139 C LYS A 71 -10.679 4.521 11.287 1.00 0.00 C ATOM 1140 O LYS A 71 -11.798 4.666 11.778 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.267 6.559 9.897 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.471 7.834 9.672 1.00 0.00 C ATOM 1143 CD LYS A 71 -10.203 9.052 10.213 1.00 0.00 C ATOM 1144 CE LYS A 71 -9.266 10.235 10.387 1.00 0.00 C ATOM 1145 NZ LYS A 71 -9.991 11.458 10.827 1.00 0.00 N ATOM 0 H LYS A 71 -8.156 5.146 9.851 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.772 6.325 11.980 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.234 5.955 8.990 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.312 6.818 10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.499 7.747 10.157 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.285 7.964 8.606 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.011 9.324 9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.662 8.806 11.171 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.498 9.985 11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.755 10.435 9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.316 12.242 10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.707 11.712 10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.458 11.276 11.738 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.202 3.333 10.917 1.00 0.00 N ATOM 1160 CA LYS A 72 -10.989 2.113 11.072 1.00 0.00 C ATOM 1161 C LYS A 72 -12.219 2.145 10.170 1.00 0.00 C ATOM 1162 O LYS A 72 -13.293 1.677 10.548 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.410 1.930 12.533 1.00 0.00 C ATOM 1164 CG LYS A 72 -11.033 0.575 13.108 1.00 0.00 C ATOM 1165 CD LYS A 72 -11.604 -0.562 12.274 1.00 0.00 C ATOM 1166 CE LYS A 72 -11.605 -1.872 13.045 1.00 0.00 C ATOM 1167 NZ LYS A 72 -12.427 -2.914 12.369 1.00 0.00 N ATOM 0 H LYS A 72 -9.278 3.191 10.509 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.367 1.268 10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.949 2.712 13.136 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.489 2.061 12.611 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.948 0.486 13.152 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.401 0.498 14.131 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.622 -0.316 11.970 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.018 -0.676 11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.581 -2.231 13.153 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.990 -1.701 14.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.402 -3.792 12.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.410 -2.583 12.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.044 -3.096 11.419 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.052 2.700 8.973 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.141 2.797 8.011 1.00 0.00 C ATOM 1183 C GLU A 73 -13.732 1.425 7.714 1.00 0.00 C ATOM 1184 O GLU A 73 -13.009 0.435 7.604 1.00 0.00 O ATOM 1185 CB GLU A 73 -12.646 3.438 6.713 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.336 4.920 6.845 1.00 0.00 C ATOM 1187 CD GLU A 73 -12.925 5.743 5.716 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.094 5.499 5.352 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -12.217 6.631 5.198 1.00 0.00 O ATOM 0 H GLU A 73 -11.168 3.091 8.647 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.920 3.422 8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.749 2.916 6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.401 3.301 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.724 5.285 7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.255 5.061 6.866 1.00 0.00 H new ATOM 1196 N GLU A 74 -15.052 1.378 7.575 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.747 0.132 7.277 1.00 0.00 C ATOM 1198 C GLU A 74 -15.898 -0.041 5.769 1.00 0.00 C ATOM 1199 O GLU A 74 -16.948 -0.459 5.280 1.00 0.00 O ATOM 1200 CB GLU A 74 -17.123 0.116 7.948 1.00 0.00 C ATOM 1201 CG GLU A 74 -18.068 1.186 7.426 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.314 1.328 8.279 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -19.228 1.082 9.500 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -20.374 1.686 7.726 1.00 0.00 O ATOM 0 H GLU A 74 -15.663 2.190 7.664 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.157 -0.696 7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.579 -0.863 7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.995 0.249 9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.545 2.142 7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.357 0.943 6.404 1.00 0.00 H new ATOM 1211 N ILE A 75 -14.839 0.293 5.039 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.839 0.190 3.586 1.00 0.00 C ATOM 1213 C ILE A 75 -13.826 -0.846 3.109 1.00 0.00 C ATOM 1214 O ILE A 75 -14.033 -1.510 2.093 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.520 1.553 2.939 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.138 2.043 3.389 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.597 2.567 3.302 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.838 3.473 2.991 1.00 0.00 C ATOM 0 H ILE A 75 -13.965 0.639 5.434 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.837 -0.126 3.282 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.505 1.438 1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.067 1.955 4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.375 1.390 2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.364 3.527 2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.564 2.216 2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.636 2.685 4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.844 3.748 3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.876 3.564 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.578 4.138 3.437 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.730 -0.977 3.851 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.682 -1.932 3.508 1.00 0.00 C ATOM 1232 C ILE A 76 -12.198 -3.364 3.605 1.00 0.00 C ATOM 1233 O ILE A 76 -12.920 -3.714 4.537 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.458 -1.770 4.433 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -9.918 -0.340 4.353 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.371 -2.772 4.067 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.094 0.064 5.554 1.00 0.00 C ATOM 0 H ILE A 76 -12.545 -0.433 4.694 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.381 -1.727 2.481 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.772 -1.967 5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.309 -0.240 3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.755 0.350 4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.517 -2.641 4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.760 -3.785 4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.057 -2.608 3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.745 1.089 5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.705 -0.003 6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.237 -0.602 5.648 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.818 -4.189 2.633 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.241 -5.585 2.613 1.00 0.00 C ATOM 1251 C ALA A 77 -11.043 -6.522 2.717 1.00 0.00 C ATOM 1252 O ALA A 77 -9.900 -6.112 2.517 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.029 -5.885 1.347 1.00 0.00 C ATOM 0 H ALA A 77 -11.221 -3.916 1.853 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.884 -5.752 3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.336 -6.931 1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.912 -5.247 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.404 -5.692 0.475 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.294 -7.804 3.029 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.234 -8.807 3.158 1.00 0.00 C ATOM 1261 C PRO A 78 -9.479 -9.022 1.851 1.00 0.00 C ATOM 1262 O PRO A 78 -9.984 -8.711 0.772 1.00 0.00 O ATOM 1263 CB PRO A 78 -10.984 -10.082 3.557 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.399 -9.850 3.149 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.628 -8.373 3.281 1.00 0.00 C ATOM 0 HA PRO A 78 -9.477 -8.503 3.880 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.568 -10.956 3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.908 -10.264 4.629 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.570 -10.182 2.125 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.085 -10.410 3.784 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.362 -8.013 2.560 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.998 -8.109 4.272 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.267 -9.558 1.955 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.442 -9.815 0.778 1.00 0.00 C ATOM 1275 C CYS A 79 -8.146 -10.765 -0.184 1.00 0.00 C ATOM 1276 O CYS A 79 -8.885 -11.656 0.235 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.087 -10.394 1.190 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.813 -10.273 -0.109 1.00 0.00 S ATOM 0 H CYS A 79 -7.834 -9.823 2.840 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.280 -8.866 0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.735 -9.874 2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.217 -11.441 1.463 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.086 -9.214 0.093 1.00 0.00 H new ATOM 1283 N LYS A 80 -7.914 -10.566 -1.479 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.531 -11.402 -2.504 1.00 0.00 C ATOM 1285 C LYS A 80 -7.706 -12.659 -2.768 1.00 0.00 C ATOM 1286 O LYS A 80 -8.259 -13.747 -2.930 1.00 0.00 O ATOM 1287 CB LYS A 80 -8.709 -10.610 -3.801 1.00 0.00 C ATOM 1288 CG LYS A 80 -7.441 -9.919 -4.275 1.00 0.00 C ATOM 1289 CD LYS A 80 -7.605 -9.355 -5.678 1.00 0.00 C ATOM 1290 CE LYS A 80 -7.515 -10.446 -6.733 1.00 0.00 C ATOM 1291 NZ LYS A 80 -8.715 -10.466 -7.615 1.00 0.00 N ATOM 0 H LYS A 80 -7.304 -9.834 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.510 -11.711 -2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.058 -11.284 -4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.487 -9.861 -3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.184 -9.114 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.612 -10.627 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.567 -8.850 -5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.835 -8.606 -5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.622 -10.293 -7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.407 -11.415 -6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.615 -11.224 -8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.565 -10.638 -7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.804 -9.551 -8.100 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.385 -12.509 -2.816 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.505 -13.646 -3.067 1.00 0.00 C ATOM 1307 C VAL A 81 -5.297 -14.473 -1.801 1.00 0.00 C ATOM 1308 O VAL A 81 -5.442 -15.694 -1.819 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.133 -13.203 -3.619 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.299 -12.479 -4.946 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.397 -12.327 -2.619 1.00 0.00 C ATOM 0 H VAL A 81 -5.904 -11.619 -2.686 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.999 -14.259 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.533 -14.098 -3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.321 -12.175 -5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.771 -13.146 -5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.924 -11.597 -4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.434 -12.030 -3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.991 -11.438 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.237 -12.884 -1.696 1.00 0.00 H new