USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 439 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 Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -15:sc= -0.501 USER MOD Single : A 37 THR OG1 : rot 53:sc= 0.665 USER MOD Single : A 38 GLN : amide:sc= -0.0657 X(o=-0.066,f=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.0585 (180deg=-0.342) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 178:sc= -1.33 (180deg=-1.37) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0197 K(o=-0.02,f=-1.5!) USER MOD Single : A 66 MET CE :methyl 148:sc= -1.34 (180deg=-4.6!) USER MOD Single : A 67 TYR OH : rot 110:sc= 0.0889 USER MOD Single : A 68 THR OG1 : rot 62:sc= 0.88 USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= -0.0111 (180deg=-0.146) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -1.385 -3.670 7.880 1.00 0.00 N ATOM 288 CA ASN A 23 -2.579 -3.125 8.515 1.00 0.00 C ATOM 289 C ASN A 23 -3.230 -2.066 7.631 1.00 0.00 C ATOM 290 O ASN A 23 -2.805 -1.843 6.497 1.00 0.00 O ATOM 291 CB ASN A 23 -2.228 -2.522 9.877 1.00 0.00 C ATOM 292 CG ASN A 23 -1.308 -3.417 10.685 1.00 0.00 C ATOM 293 OD1 ASN A 23 -1.709 -4.488 11.141 1.00 0.00 O ATOM 294 ND2 ASN A 23 -0.068 -2.980 10.867 1.00 0.00 N ATOM 0 HA ASN A 23 -3.288 -3.940 8.658 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.751 -1.553 9.730 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.144 -2.344 10.440 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.596 -3.538 11.403 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.221 -2.086 10.471 1.00 0.00 H new ATOM 301 N ALA A 24 -4.263 -1.415 8.158 1.00 0.00 N ATOM 302 CA ALA A 24 -4.970 -0.378 7.417 1.00 0.00 C ATOM 303 C ALA A 24 -4.021 0.737 6.992 1.00 0.00 C ATOM 304 O ALA A 24 -3.919 1.061 5.809 1.00 0.00 O ATOM 305 CB ALA A 24 -6.108 0.185 8.256 1.00 0.00 C ATOM 0 H ALA A 24 -4.628 -1.588 9.095 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.385 -0.828 6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.628 0.959 7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.806 -0.614 8.505 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.706 0.614 9.174 1.00 0.00 H new ATOM 311 N PHE A 25 -3.329 1.322 7.964 1.00 0.00 N ATOM 312 CA PHE A 25 -2.389 2.403 7.690 1.00 0.00 C ATOM 313 C PHE A 25 -1.369 1.982 6.637 1.00 0.00 C ATOM 314 O PHE A 25 -1.048 2.748 5.728 1.00 0.00 O ATOM 315 CB PHE A 25 -1.671 2.820 8.975 1.00 0.00 C ATOM 316 CG PHE A 25 -0.647 3.898 8.766 1.00 0.00 C ATOM 317 CD1 PHE A 25 -1.035 5.187 8.439 1.00 0.00 C ATOM 318 CD2 PHE A 25 0.705 3.623 8.895 1.00 0.00 C ATOM 319 CE1 PHE A 25 -0.096 6.182 8.246 1.00 0.00 C ATOM 320 CE2 PHE A 25 1.650 4.614 8.704 1.00 0.00 C ATOM 321 CZ PHE A 25 1.249 5.895 8.378 1.00 0.00 C ATOM 0 H PHE A 25 -3.401 1.066 8.949 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.952 3.253 7.305 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.409 3.166 9.698 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.184 1.947 9.410 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.085 5.417 8.334 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.024 2.623 9.148 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.413 7.183 7.992 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.701 4.387 8.810 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.985 6.671 8.227 1.00 0.00 H new ATOM 331 N MET A 26 -0.863 0.760 6.766 1.00 0.00 N ATOM 332 CA MET A 26 0.121 0.237 5.825 1.00 0.00 C ATOM 333 C MET A 26 -0.368 0.387 4.388 1.00 0.00 C ATOM 334 O MET A 26 0.387 0.792 3.504 1.00 0.00 O ATOM 335 CB MET A 26 0.413 -1.234 6.126 1.00 0.00 C ATOM 336 CG MET A 26 1.399 -1.438 7.265 1.00 0.00 C ATOM 337 SD MET A 26 2.859 -2.368 6.762 1.00 0.00 S ATOM 338 CE MET A 26 3.779 -2.411 8.298 1.00 0.00 C ATOM 0 H MET A 26 -1.118 0.113 7.513 1.00 0.00 H new ATOM 0 HA MET A 26 1.039 0.813 5.939 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.522 -1.739 6.371 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.806 -1.709 5.227 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.707 -0.467 7.652 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.902 -1.963 8.081 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.712 -2.955 8.148 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.000 -1.393 8.618 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.186 -2.912 9.063 1.00 0.00 H new ATOM 348 N LEU A 27 -1.635 0.057 4.162 1.00 0.00 N ATOM 349 CA LEU A 27 -2.225 0.156 2.831 1.00 0.00 C ATOM 350 C LEU A 27 -2.248 1.603 2.351 1.00 0.00 C ATOM 351 O LEU A 27 -2.110 1.875 1.158 1.00 0.00 O ATOM 352 CB LEU A 27 -3.644 -0.414 2.838 1.00 0.00 C ATOM 353 CG LEU A 27 -4.201 -0.845 1.480 1.00 0.00 C ATOM 354 CD1 LEU A 27 -3.321 -1.917 0.858 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.632 -1.343 1.624 1.00 0.00 C ATOM 0 H LEU A 27 -2.273 -0.281 4.882 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.610 -0.425 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.665 -1.275 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.313 0.335 3.261 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.204 0.021 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.733 -2.211 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.314 -1.525 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.284 -2.785 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.012 -1.645 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.654 -2.196 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.256 -0.545 2.025 1.00 0.00 H new ATOM 367 N PHE A 28 -2.420 2.529 3.288 1.00 0.00 N ATOM 368 CA PHE A 28 -2.460 3.950 2.961 1.00 0.00 C ATOM 369 C PHE A 28 -1.078 4.452 2.550 1.00 0.00 C ATOM 370 O PHE A 28 -0.881 4.907 1.424 1.00 0.00 O ATOM 371 CB PHE A 28 -2.973 4.756 4.156 1.00 0.00 C ATOM 372 CG PHE A 28 -2.777 6.238 4.008 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.611 6.843 4.447 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.760 7.025 3.430 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.428 8.206 4.313 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.583 8.389 3.293 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.415 8.980 3.734 1.00 0.00 C ATOM 0 H PHE A 28 -2.534 2.321 4.280 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.142 4.085 2.121 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.034 4.550 4.294 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.463 4.418 5.058 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.836 6.242 4.899 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.675 6.568 3.083 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.515 8.666 4.660 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.357 8.992 2.842 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.274 10.045 3.626 1.00 0.00 H new ATOM 387 N ALA A 29 -0.126 4.366 3.473 1.00 0.00 N ATOM 388 CA ALA A 29 1.237 4.810 3.207 1.00 0.00 C ATOM 389 C ALA A 29 1.802 4.134 1.962 1.00 0.00 C ATOM 390 O ALA A 29 2.652 4.695 1.270 1.00 0.00 O ATOM 391 CB ALA A 29 2.126 4.532 4.410 1.00 0.00 C ATOM 0 H ALA A 29 -0.273 3.993 4.411 1.00 0.00 H new ATOM 0 HA ALA A 29 1.214 5.885 3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.141 4.868 4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.741 5.066 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.134 3.462 4.617 1.00 0.00 H new ATOM 397 N LYS A 30 1.325 2.926 1.683 1.00 0.00 N ATOM 398 CA LYS A 30 1.781 2.173 0.521 1.00 0.00 C ATOM 399 C LYS A 30 1.115 2.682 -0.754 1.00 0.00 C ATOM 400 O LYS A 30 1.711 2.656 -1.831 1.00 0.00 O ATOM 401 CB LYS A 30 1.482 0.683 0.704 1.00 0.00 C ATOM 402 CG LYS A 30 2.526 -0.050 1.529 1.00 0.00 C ATOM 403 CD LYS A 30 2.379 -1.557 1.404 1.00 0.00 C ATOM 404 CE LYS A 30 2.775 -2.043 0.018 1.00 0.00 C ATOM 405 NZ LYS A 30 3.010 -3.513 -0.008 1.00 0.00 N ATOM 0 H LYS A 30 0.622 2.447 2.246 1.00 0.00 H new ATOM 0 HA LYS A 30 2.858 2.314 0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.509 0.572 1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.410 0.212 -0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.523 0.247 1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.433 0.240 2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.000 -2.048 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.347 -1.841 1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.990 -1.788 -0.694 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.678 -1.525 -0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.278 -3.805 -0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.776 -3.754 0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.140 -4.009 0.275 1.00 0.00 H new ATOM 419 N LYS A 31 -0.122 3.148 -0.624 1.00 0.00 N ATOM 420 CA LYS A 31 -0.868 3.667 -1.764 1.00 0.00 C ATOM 421 C LYS A 31 -0.318 5.019 -2.205 1.00 0.00 C ATOM 422 O LYS A 31 -0.034 5.230 -3.384 1.00 0.00 O ATOM 423 CB LYS A 31 -2.352 3.799 -1.412 1.00 0.00 C ATOM 424 CG LYS A 31 -3.178 4.467 -2.497 1.00 0.00 C ATOM 425 CD LYS A 31 -4.664 4.393 -2.191 1.00 0.00 C ATOM 426 CE LYS A 31 -5.264 3.075 -2.655 1.00 0.00 C ATOM 427 NZ LYS A 31 -5.552 3.080 -4.116 1.00 0.00 N ATOM 0 H LYS A 31 -0.630 3.177 0.260 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.757 2.963 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.760 2.807 -1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.448 4.372 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.877 5.510 -2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.978 3.987 -3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.822 4.508 -1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.179 5.220 -2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.576 2.262 -2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.184 2.881 -2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.960 2.164 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.228 3.840 -4.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.670 3.239 -4.643 1.00 0.00 H new ATOM 441 N TYR A 32 -0.167 5.931 -1.251 1.00 0.00 N ATOM 442 CA TYR A 32 0.349 7.263 -1.541 1.00 0.00 C ATOM 443 C TYR A 32 1.871 7.294 -1.431 1.00 0.00 C ATOM 444 O TYR A 32 2.486 8.359 -1.477 1.00 0.00 O ATOM 445 CB TYR A 32 -0.263 8.289 -0.587 1.00 0.00 C ATOM 446 CG TYR A 32 -1.703 8.626 -0.903 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.746 7.894 -0.347 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.022 9.674 -1.758 1.00 0.00 C ATOM 449 CE1 TYR A 32 -4.063 8.197 -0.633 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.336 9.985 -2.048 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.353 9.243 -1.483 1.00 0.00 C ATOM 452 OH TYR A 32 -5.663 9.549 -1.771 1.00 0.00 O ATOM 0 H TYR A 32 -0.395 5.772 -0.270 1.00 0.00 H new ATOM 0 HA TYR A 32 0.071 7.517 -2.564 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.203 7.906 0.432 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.331 9.202 -0.620 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.523 7.074 0.320 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.228 10.256 -2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.861 7.618 -0.193 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.566 10.804 -2.713 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.693 10.313 -2.384 1.00 0.00 H new ATOM 462 N ARG A 33 2.471 6.117 -1.285 1.00 0.00 N ATOM 463 CA ARG A 33 3.920 6.007 -1.167 1.00 0.00 C ATOM 464 C ARG A 33 4.615 6.743 -2.309 1.00 0.00 C ATOM 465 O ARG A 33 5.317 7.730 -2.089 1.00 0.00 O ATOM 466 CB ARG A 33 4.342 4.537 -1.161 1.00 0.00 C ATOM 467 CG ARG A 33 5.628 4.276 -0.394 1.00 0.00 C ATOM 468 CD ARG A 33 6.849 4.404 -1.292 1.00 0.00 C ATOM 469 NE ARG A 33 8.060 3.908 -0.644 1.00 0.00 N ATOM 470 CZ ARG A 33 9.216 3.740 -1.277 1.00 0.00 C ATOM 471 NH1 ARG A 33 9.317 4.027 -2.567 1.00 0.00 N ATOM 472 NH2 ARG A 33 10.274 3.285 -0.618 1.00 0.00 N ATOM 0 H ARG A 33 1.976 5.226 -1.246 1.00 0.00 H new ATOM 0 HA ARG A 33 4.219 6.467 -0.225 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.541 3.940 -0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.468 4.200 -2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.708 4.981 0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.597 3.277 0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.679 3.850 -2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.988 5.449 -1.568 1.00 0.00 H new ATOM 0 HE ARG A 33 8.016 3.678 0.349 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.506 4.378 -3.076 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.206 3.897 -3.050 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.200 3.064 0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.161 3.156 -1.104 1.00 0.00 H new ATOM 486 N VAL A 34 4.415 6.255 -3.529 1.00 0.00 N ATOM 487 CA VAL A 34 5.022 6.866 -4.706 1.00 0.00 C ATOM 488 C VAL A 34 4.384 8.216 -5.015 1.00 0.00 C ATOM 489 O VAL A 34 5.045 9.125 -5.515 1.00 0.00 O ATOM 490 CB VAL A 34 4.893 5.955 -5.941 1.00 0.00 C ATOM 491 CG1 VAL A 34 3.430 5.738 -6.295 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.653 6.545 -7.119 1.00 0.00 C ATOM 0 H VAL A 34 3.837 5.438 -3.728 1.00 0.00 H new ATOM 0 HA VAL A 34 6.078 7.010 -4.479 1.00 0.00 H new ATOM 0 HB VAL A 34 5.331 4.986 -5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.359 5.092 -7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.918 5.268 -5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.962 6.698 -6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.551 5.889 -7.983 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.246 7.527 -7.359 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.707 6.643 -6.860 1.00 0.00 H new ATOM 502 N GLU A 35 3.095 8.338 -4.713 1.00 0.00 N ATOM 503 CA GLU A 35 2.368 9.578 -4.959 1.00 0.00 C ATOM 504 C GLU A 35 3.101 10.769 -4.349 1.00 0.00 C ATOM 505 O GLU A 35 3.078 11.872 -4.895 1.00 0.00 O ATOM 506 CB GLU A 35 0.953 9.488 -4.386 1.00 0.00 C ATOM 507 CG GLU A 35 0.107 8.396 -5.020 1.00 0.00 C ATOM 508 CD GLU A 35 0.269 8.335 -6.527 1.00 0.00 C ATOM 509 OE1 GLU A 35 -0.325 9.185 -7.222 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.989 7.437 -7.010 1.00 0.00 O ATOM 0 H GLU A 35 2.533 7.594 -4.298 1.00 0.00 H new ATOM 0 HA GLU A 35 2.307 9.725 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.016 9.310 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.454 10.447 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.381 7.433 -4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.942 8.567 -4.777 1.00 0.00 H new ATOM 517 N TYR A 36 3.750 10.538 -3.213 1.00 0.00 N ATOM 518 CA TYR A 36 4.488 11.591 -2.526 1.00 0.00 C ATOM 519 C TYR A 36 5.962 11.567 -2.915 1.00 0.00 C ATOM 520 O TYR A 36 6.651 12.586 -2.851 1.00 0.00 O ATOM 521 CB TYR A 36 4.346 11.437 -1.010 1.00 0.00 C ATOM 522 CG TYR A 36 3.019 11.924 -0.473 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.824 11.369 -0.912 1.00 0.00 C ATOM 524 CD2 TYR A 36 2.962 12.940 0.473 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.609 11.812 -0.425 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.752 13.388 0.967 1.00 0.00 C ATOM 527 CZ TYR A 36 0.578 12.821 0.515 1.00 0.00 C ATOM 528 OH TYR A 36 -0.629 13.266 1.003 1.00 0.00 O ATOM 0 H TYR A 36 3.780 9.630 -2.748 1.00 0.00 H new ATOM 0 HA TYR A 36 4.067 12.550 -2.828 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.471 10.387 -0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.150 11.987 -0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.845 10.578 -1.647 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.879 13.387 0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.311 11.371 -0.778 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.725 14.178 1.703 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.353 12.948 0.424 1.00 0.00 H new ATOM 538 N THR A 37 6.442 10.395 -3.320 1.00 0.00 N ATOM 539 CA THR A 37 7.834 10.236 -3.720 1.00 0.00 C ATOM 540 C THR A 37 8.164 11.112 -4.923 1.00 0.00 C ATOM 541 O THR A 37 9.308 11.532 -5.100 1.00 0.00 O ATOM 542 CB THR A 37 8.155 8.769 -4.064 1.00 0.00 C ATOM 543 OG1 THR A 37 7.749 7.913 -2.990 1.00 0.00 O ATOM 544 CG2 THR A 37 9.642 8.588 -4.329 1.00 0.00 C ATOM 0 H THR A 37 5.886 9.542 -3.379 1.00 0.00 H new ATOM 0 HA THR A 37 8.444 10.545 -2.871 1.00 0.00 H new ATOM 0 HB THR A 37 7.606 8.503 -4.967 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.811 8.089 -2.768 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.844 7.544 -4.570 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.942 9.218 -5.166 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.207 8.872 -3.441 1.00 0.00 H new ATOM 552 N GLN A 38 7.157 11.385 -5.745 1.00 0.00 N ATOM 553 CA GLN A 38 7.342 12.212 -6.932 1.00 0.00 C ATOM 554 C GLN A 38 6.890 13.645 -6.672 1.00 0.00 C ATOM 555 O GLN A 38 7.374 14.583 -7.305 1.00 0.00 O ATOM 556 CB GLN A 38 6.567 11.626 -8.114 1.00 0.00 C ATOM 557 CG GLN A 38 6.790 10.136 -8.309 1.00 0.00 C ATOM 558 CD GLN A 38 6.155 9.612 -9.582 1.00 0.00 C ATOM 559 OE1 GLN A 38 6.757 9.661 -10.655 1.00 0.00 O ATOM 560 NE2 GLN A 38 4.932 9.107 -9.470 1.00 0.00 N ATOM 0 H GLN A 38 6.204 11.046 -5.611 1.00 0.00 H new ATOM 0 HA GLN A 38 8.405 12.224 -7.174 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.503 11.809 -7.967 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.858 12.151 -9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.861 9.933 -8.331 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.381 9.597 -7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.470 9.086 -8.561 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.454 8.740 -10.293 1.00 0.00 H new ATOM 569 N MET A 39 5.959 13.807 -5.737 1.00 0.00 N ATOM 570 CA MET A 39 5.443 15.126 -5.393 1.00 0.00 C ATOM 571 C MET A 39 6.440 15.892 -4.529 1.00 0.00 C ATOM 572 O MET A 39 6.553 17.114 -4.630 1.00 0.00 O ATOM 573 CB MET A 39 4.106 14.999 -4.660 1.00 0.00 C ATOM 574 CG MET A 39 2.901 15.016 -5.586 1.00 0.00 C ATOM 575 SD MET A 39 1.421 15.666 -4.787 1.00 0.00 S ATOM 576 CE MET A 39 0.834 14.210 -3.924 1.00 0.00 C ATOM 0 H MET A 39 5.547 13.041 -5.204 1.00 0.00 H new ATOM 0 HA MET A 39 5.290 15.681 -6.318 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.101 14.071 -4.088 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.015 15.815 -3.944 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.131 15.620 -6.464 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.704 14.004 -5.939 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.079 14.453 -3.381 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.628 13.418 -4.644 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.595 13.872 -3.221 1.00 0.00 H new ATOM 586 N TYR A 40 7.160 15.167 -3.681 1.00 0.00 N ATOM 587 CA TYR A 40 8.145 15.779 -2.797 1.00 0.00 C ATOM 588 C TYR A 40 9.486 15.058 -2.894 1.00 0.00 C ATOM 589 O TYR A 40 9.902 14.341 -1.983 1.00 0.00 O ATOM 590 CB TYR A 40 7.646 15.759 -1.351 1.00 0.00 C ATOM 591 CG TYR A 40 6.330 16.476 -1.155 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.129 15.876 -1.513 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.286 17.754 -0.610 1.00 0.00 C ATOM 594 CE1 TYR A 40 3.924 16.528 -1.337 1.00 0.00 C ATOM 595 CE2 TYR A 40 5.086 18.412 -0.429 1.00 0.00 C ATOM 596 CZ TYR A 40 3.907 17.795 -0.794 1.00 0.00 C ATOM 597 OH TYR A 40 2.709 18.447 -0.615 1.00 0.00 O ATOM 0 H TYR A 40 7.080 14.154 -3.587 1.00 0.00 H new ATOM 0 HA TYR A 40 8.285 16.813 -3.112 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.538 14.724 -1.027 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.399 16.217 -0.709 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.138 14.882 -1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.207 18.241 -0.323 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.000 16.048 -1.623 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.070 19.405 -0.004 1.00 0.00 H new ATOM 0 HH TYR A 40 2.872 19.329 -0.221 1.00 0.00 H new ATOM 607 N PRO A 41 10.180 15.251 -4.025 1.00 0.00 N ATOM 608 CA PRO A 41 11.485 14.629 -4.270 1.00 0.00 C ATOM 609 C PRO A 41 12.580 15.212 -3.383 1.00 0.00 C ATOM 610 O PRO A 41 13.403 14.481 -2.835 1.00 0.00 O ATOM 611 CB PRO A 41 11.761 14.951 -5.741 1.00 0.00 C ATOM 612 CG PRO A 41 10.975 16.187 -6.013 1.00 0.00 C ATOM 613 CD PRO A 41 9.745 16.092 -5.153 1.00 0.00 C ATOM 0 HA PRO A 41 11.476 13.562 -4.047 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.824 15.111 -5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.449 14.133 -6.390 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.553 17.079 -5.770 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.709 16.257 -7.068 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.413 17.074 -4.817 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.912 15.641 -5.692 1.00 0.00 H new ATOM 621 N GLY A 42 12.583 16.535 -3.245 1.00 0.00 N ATOM 622 CA GLY A 42 13.581 17.193 -2.423 1.00 0.00 C ATOM 623 C GLY A 42 13.587 16.680 -0.996 1.00 0.00 C ATOM 624 O GLY A 42 14.603 16.756 -0.305 1.00 0.00 O ATOM 0 H GLY A 42 11.912 17.162 -3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.567 17.043 -2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.393 18.267 -2.419 1.00 0.00 H new ATOM 628 N LYS A 43 12.449 16.158 -0.552 1.00 0.00 N ATOM 629 CA LYS A 43 12.325 15.631 0.801 1.00 0.00 C ATOM 630 C LYS A 43 12.828 14.192 0.873 1.00 0.00 C ATOM 631 O LYS A 43 12.817 13.470 -0.124 1.00 0.00 O ATOM 632 CB LYS A 43 10.868 15.696 1.265 1.00 0.00 C ATOM 633 CG LYS A 43 10.391 17.104 1.576 1.00 0.00 C ATOM 634 CD LYS A 43 9.079 17.092 2.342 1.00 0.00 C ATOM 635 CE LYS A 43 8.607 18.502 2.661 1.00 0.00 C ATOM 636 NZ LYS A 43 9.617 19.260 3.450 1.00 0.00 N ATOM 0 H LYS A 43 11.598 16.089 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 43 12.938 16.246 1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.230 15.268 0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.751 15.077 2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.149 17.625 2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.266 17.660 0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.319 16.577 1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.202 16.530 3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.398 19.034 1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.672 18.454 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.177 20.114 3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.974 18.662 4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.407 19.534 2.831 1.00 0.00 H new ATOM 650 N ASP A 44 13.268 13.783 2.058 1.00 0.00 N ATOM 651 CA ASP A 44 13.773 12.430 2.260 1.00 0.00 C ATOM 652 C ASP A 44 12.636 11.469 2.591 1.00 0.00 C ATOM 653 O ASP A 44 11.561 11.888 3.018 1.00 0.00 O ATOM 654 CB ASP A 44 14.813 12.413 3.382 1.00 0.00 C ATOM 655 CG ASP A 44 15.995 13.317 3.089 1.00 0.00 C ATOM 656 OD1 ASP A 44 16.972 12.836 2.478 1.00 0.00 O ATOM 657 OD2 ASP A 44 15.943 14.505 3.470 1.00 0.00 O ATOM 0 H ASP A 44 13.285 14.369 2.893 1.00 0.00 H new ATOM 0 HA ASP A 44 14.244 12.103 1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.343 12.725 4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.167 11.393 3.530 1.00 0.00 H new ATOM 662 N ASN A 45 12.880 10.178 2.388 1.00 0.00 N ATOM 663 CA ASN A 45 11.876 9.158 2.663 1.00 0.00 C ATOM 664 C ASN A 45 11.322 9.306 4.077 1.00 0.00 C ATOM 665 O ASN A 45 10.109 9.270 4.287 1.00 0.00 O ATOM 666 CB ASN A 45 12.474 7.761 2.482 1.00 0.00 C ATOM 667 CG ASN A 45 11.554 6.668 2.988 1.00 0.00 C ATOM 668 OD1 ASN A 45 10.531 6.368 2.373 1.00 0.00 O ATOM 669 ND2 ASN A 45 11.914 6.066 4.116 1.00 0.00 N ATOM 0 H ASN A 45 13.765 9.814 2.034 1.00 0.00 H new ATOM 0 HA ASN A 45 11.058 9.290 1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.686 7.594 1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.425 7.705 3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.334 5.323 4.505 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.771 6.347 4.593 1.00 0.00 H new ATOM 676 N ARG A 46 12.218 9.474 5.043 1.00 0.00 N ATOM 677 CA ARG A 46 11.820 9.628 6.437 1.00 0.00 C ATOM 678 C ARG A 46 10.786 10.740 6.588 1.00 0.00 C ATOM 679 O ARG A 46 9.949 10.705 7.489 1.00 0.00 O ATOM 680 CB ARG A 46 13.040 9.931 7.309 1.00 0.00 C ATOM 681 CG ARG A 46 12.748 9.893 8.800 1.00 0.00 C ATOM 682 CD ARG A 46 12.911 8.490 9.364 1.00 0.00 C ATOM 683 NE ARG A 46 12.392 8.384 10.725 1.00 0.00 N ATOM 684 CZ ARG A 46 12.383 7.253 11.421 1.00 0.00 C ATOM 685 NH1 ARG A 46 12.863 6.138 10.888 1.00 0.00 N ATOM 686 NH2 ARG A 46 11.893 7.236 12.655 1.00 0.00 N ATOM 0 H ARG A 46 13.225 9.507 4.886 1.00 0.00 H new ATOM 0 HA ARG A 46 11.371 8.690 6.765 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.826 9.210 7.083 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.427 10.916 7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.419 10.576 9.321 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.732 10.244 8.982 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.392 7.778 8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.966 8.216 9.356 1.00 0.00 H new ATOM 0 HE ARG A 46 12.016 9.224 11.165 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.241 6.147 9.941 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.855 5.271 11.425 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.523 8.092 13.069 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.886 6.367 13.189 1.00 0.00 H new ATOM 700 N ALA A 47 10.851 11.725 5.698 1.00 0.00 N ATOM 701 CA ALA A 47 9.920 12.847 5.731 1.00 0.00 C ATOM 702 C ALA A 47 8.602 12.486 5.054 1.00 0.00 C ATOM 703 O ALA A 47 7.525 12.806 5.559 1.00 0.00 O ATOM 704 CB ALA A 47 10.540 14.067 5.067 1.00 0.00 C ATOM 0 H ALA A 47 11.538 11.769 4.946 1.00 0.00 H new ATOM 0 HA ALA A 47 9.710 13.083 6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.834 14.897 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.451 14.345 5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.780 13.834 4.029 1.00 0.00 H new ATOM 710 N ILE A 48 8.694 11.818 3.909 1.00 0.00 N ATOM 711 CA ILE A 48 7.508 11.414 3.163 1.00 0.00 C ATOM 712 C ILE A 48 6.528 10.661 4.056 1.00 0.00 C ATOM 713 O ILE A 48 5.315 10.847 3.959 1.00 0.00 O ATOM 714 CB ILE A 48 7.875 10.526 1.960 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.833 11.267 1.024 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.620 10.101 1.213 1.00 0.00 C ATOM 717 CD1 ILE A 48 8.227 12.503 0.395 1.00 0.00 C ATOM 0 H ILE A 48 9.577 11.545 3.478 1.00 0.00 H new ATOM 0 HA ILE A 48 7.037 12.327 2.799 1.00 0.00 H new ATOM 0 HB ILE A 48 8.376 9.631 2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.725 11.553 1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.155 10.588 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.896 9.474 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.970 9.539 1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.093 10.985 0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.962 12.978 -0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.352 12.221 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.931 13.201 1.178 1.00 0.00 H new ATOM 729 N SER A 49 7.062 9.810 4.927 1.00 0.00 N ATOM 730 CA SER A 49 6.234 9.027 5.836 1.00 0.00 C ATOM 731 C SER A 49 5.530 9.930 6.844 1.00 0.00 C ATOM 732 O SER A 49 4.332 9.789 7.090 1.00 0.00 O ATOM 733 CB SER A 49 7.087 7.991 6.572 1.00 0.00 C ATOM 734 OG SER A 49 6.378 7.427 7.661 1.00 0.00 O ATOM 0 H SER A 49 8.064 9.646 5.022 1.00 0.00 H new ATOM 0 HA SER A 49 5.477 8.511 5.245 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.384 7.203 5.880 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.002 8.460 6.934 1.00 0.00 H new ATOM 0 HG SER A 49 6.944 6.767 8.114 1.00 0.00 H new ATOM 740 N VAL A 50 6.283 10.859 7.424 1.00 0.00 N ATOM 741 CA VAL A 50 5.732 11.787 8.404 1.00 0.00 C ATOM 742 C VAL A 50 4.568 12.578 7.819 1.00 0.00 C ATOM 743 O VAL A 50 3.607 12.899 8.519 1.00 0.00 O ATOM 744 CB VAL A 50 6.804 12.771 8.910 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.203 13.749 9.908 1.00 0.00 C ATOM 746 CG2 VAL A 50 7.970 12.015 9.529 1.00 0.00 C ATOM 0 H VAL A 50 7.276 10.989 7.232 1.00 0.00 H new ATOM 0 HA VAL A 50 5.375 11.187 9.241 1.00 0.00 H new ATOM 0 HB VAL A 50 7.179 13.341 8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.975 14.436 10.254 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.404 14.314 9.428 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.799 13.199 10.758 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.718 12.725 9.881 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.612 11.418 10.368 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.416 11.359 8.782 1.00 0.00 H new ATOM 756 N ILE A 51 4.660 12.889 6.530 1.00 0.00 N ATOM 757 CA ILE A 51 3.613 13.642 5.850 1.00 0.00 C ATOM 758 C ILE A 51 2.406 12.759 5.552 1.00 0.00 C ATOM 759 O ILE A 51 1.273 13.238 5.487 1.00 0.00 O ATOM 760 CB ILE A 51 4.125 14.253 4.532 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.324 15.165 4.799 1.00 0.00 C ATOM 762 CG2 ILE A 51 3.012 15.023 3.837 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.104 15.520 3.552 1.00 0.00 C ATOM 0 H ILE A 51 5.448 12.631 5.936 1.00 0.00 H new ATOM 0 HA ILE A 51 3.315 14.446 6.523 1.00 0.00 H new ATOM 0 HB ILE A 51 4.446 13.445 3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.974 16.082 5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.992 14.675 5.508 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.390 15.449 2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.185 14.348 3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.663 15.825 4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.939 16.168 3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.485 14.609 3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.451 16.038 2.850 1.00 0.00 H new ATOM 775 N LEU A 52 2.655 11.466 5.374 1.00 0.00 N ATOM 776 CA LEU A 52 1.589 10.514 5.086 1.00 0.00 C ATOM 777 C LEU A 52 0.667 10.347 6.290 1.00 0.00 C ATOM 778 O LEU A 52 -0.555 10.404 6.162 1.00 0.00 O ATOM 779 CB LEU A 52 2.180 9.160 4.690 1.00 0.00 C ATOM 780 CG LEU A 52 2.567 9.000 3.220 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.197 7.637 2.978 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.353 9.195 2.324 1.00 0.00 C ATOM 0 H LEU A 52 3.586 11.053 5.424 1.00 0.00 H new ATOM 0 HA LEU A 52 1.003 10.905 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.066 8.981 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.458 8.383 4.941 1.00 0.00 H new ATOM 0 HG LEU A 52 3.302 9.766 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.466 7.542 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.092 7.536 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.485 6.855 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.648 9.077 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.594 8.453 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.946 10.195 2.475 1.00 0.00 H new ATOM 794 N GLY A 53 1.263 10.143 7.461 1.00 0.00 N ATOM 795 CA GLY A 53 0.481 9.974 8.672 1.00 0.00 C ATOM 796 C GLY A 53 -0.468 11.130 8.916 1.00 0.00 C ATOM 797 O GLY A 53 -1.644 10.924 9.215 1.00 0.00 O ATOM 0 H GLY A 53 2.273 10.092 7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.089 9.048 8.606 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.154 9.874 9.524 1.00 0.00 H new ATOM 801 N ASP A 54 0.043 12.350 8.789 1.00 0.00 N ATOM 802 CA ASP A 54 -0.767 13.544 8.998 1.00 0.00 C ATOM 803 C ASP A 54 -2.044 13.487 8.167 1.00 0.00 C ATOM 804 O ASP A 54 -3.112 13.899 8.621 1.00 0.00 O ATOM 805 CB ASP A 54 0.033 14.798 8.641 1.00 0.00 C ATOM 806 CG ASP A 54 -0.421 16.016 9.421 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.641 16.153 9.651 1.00 0.00 O ATOM 808 OD2 ASP A 54 0.444 16.832 9.802 1.00 0.00 O ATOM 0 H ASP A 54 1.015 12.538 8.542 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.043 13.586 10.052 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.090 14.619 8.836 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.065 14.996 7.574 1.00 0.00 H new ATOM 813 N ARG A 55 -1.927 12.975 6.946 1.00 0.00 N ATOM 814 CA ARG A 55 -3.072 12.866 6.050 1.00 0.00 C ATOM 815 C ARG A 55 -4.072 11.837 6.568 1.00 0.00 C ATOM 816 O ARG A 55 -5.283 12.010 6.432 1.00 0.00 O ATOM 817 CB ARG A 55 -2.611 12.482 4.643 1.00 0.00 C ATOM 818 CG ARG A 55 -1.959 13.625 3.882 1.00 0.00 C ATOM 819 CD ARG A 55 -2.844 14.116 2.747 1.00 0.00 C ATOM 820 NE ARG A 55 -2.404 15.410 2.231 1.00 0.00 N ATOM 821 CZ ARG A 55 -3.081 16.108 1.326 1.00 0.00 C ATOM 822 NH1 ARG A 55 -4.222 15.640 0.841 1.00 0.00 N ATOM 823 NH2 ARG A 55 -2.616 17.278 0.906 1.00 0.00 N ATOM 0 H ARG A 55 -1.051 12.629 6.555 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.564 13.838 6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.905 11.655 4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.468 12.121 4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.753 14.448 4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.000 13.296 3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.839 13.383 1.940 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.873 14.196 3.098 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.530 15.798 2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.583 14.742 1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.740 16.178 0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.739 17.641 1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.136 17.814 0.211 1.00 0.00 H new ATOM 837 N TRP A 56 -3.557 10.766 7.161 1.00 0.00 N ATOM 838 CA TRP A 56 -4.405 9.708 7.699 1.00 0.00 C ATOM 839 C TRP A 56 -5.159 10.190 8.934 1.00 0.00 C ATOM 840 O TRP A 56 -6.229 9.676 9.260 1.00 0.00 O ATOM 841 CB TRP A 56 -3.563 8.479 8.047 1.00 0.00 C ATOM 842 CG TRP A 56 -4.318 7.443 8.823 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.531 7.424 10.172 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.957 6.275 8.297 1.00 0.00 C ATOM 845 NE1 TRP A 56 -5.265 6.314 10.516 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.539 5.593 9.384 1.00 0.00 C ATOM 847 CE3 TRP A 56 -5.096 5.739 7.014 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -6.246 4.405 9.224 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.798 4.559 6.857 1.00 0.00 C ATOM 850 CH2 TRP A 56 -6.367 3.903 7.957 1.00 0.00 C ATOM 0 H TRP A 56 -2.557 10.607 7.282 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.133 9.436 6.935 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.188 8.032 7.126 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.694 8.794 8.625 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.175 8.171 10.866 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.558 6.067 11.461 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.662 6.238 6.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.684 3.897 10.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.910 4.135 5.870 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.912 2.983 7.802 1.00 0.00 H new ATOM 861 N LYS A 57 -4.594 11.179 9.618 1.00 0.00 N ATOM 862 CA LYS A 57 -5.214 11.732 10.816 1.00 0.00 C ATOM 863 C LYS A 57 -6.294 12.745 10.453 1.00 0.00 C ATOM 864 O LYS A 57 -7.229 12.975 11.221 1.00 0.00 O ATOM 865 CB LYS A 57 -4.156 12.394 11.703 1.00 0.00 C ATOM 866 CG LYS A 57 -3.135 11.418 12.263 1.00 0.00 C ATOM 867 CD LYS A 57 -1.945 12.143 12.868 1.00 0.00 C ATOM 868 CE LYS A 57 -2.337 12.914 14.119 1.00 0.00 C ATOM 869 NZ LYS A 57 -1.199 13.045 15.070 1.00 0.00 N ATOM 0 H LYS A 57 -3.707 11.614 9.363 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.680 10.913 11.364 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.637 13.159 11.126 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.653 12.901 12.530 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.606 10.793 13.022 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.793 10.753 11.470 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.165 11.422 13.113 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.524 12.830 12.133 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.691 13.906 13.838 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.166 12.407 14.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.507 13.577 15.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.877 12.099 15.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.417 13.551 14.608 1.00 0.00 H new ATOM 883 N LYS A 58 -6.161 13.349 9.277 1.00 0.00 N ATOM 884 CA LYS A 58 -7.126 14.336 8.809 1.00 0.00 C ATOM 885 C LYS A 58 -8.304 13.659 8.115 1.00 0.00 C ATOM 886 O LYS A 58 -9.432 14.148 8.168 1.00 0.00 O ATOM 887 CB LYS A 58 -6.455 15.323 7.851 1.00 0.00 C ATOM 888 CG LYS A 58 -6.458 16.757 8.354 1.00 0.00 C ATOM 889 CD LYS A 58 -5.278 17.542 7.808 1.00 0.00 C ATOM 890 CE LYS A 58 -5.685 18.412 6.628 1.00 0.00 C ATOM 891 NZ LYS A 58 -6.354 19.667 7.070 1.00 0.00 N ATOM 0 H LYS A 58 -5.393 13.172 8.630 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.501 14.879 9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.425 15.009 7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.963 15.284 6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.388 17.245 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.426 16.761 9.444 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.860 18.168 8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.492 16.852 7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.803 18.659 6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.357 17.852 5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.616 20.232 6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.210 19.432 7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.704 20.214 7.670 1.00 0.00 H new ATOM 905 N MET A 59 -8.033 12.532 7.465 1.00 0.00 N ATOM 906 CA MET A 59 -9.071 11.787 6.763 1.00 0.00 C ATOM 907 C MET A 59 -10.259 11.514 7.680 1.00 0.00 C ATOM 908 O MET A 59 -10.152 11.626 8.901 1.00 0.00 O ATOM 909 CB MET A 59 -8.510 10.468 6.229 1.00 0.00 C ATOM 910 CG MET A 59 -8.051 10.543 4.782 1.00 0.00 C ATOM 911 SD MET A 59 -7.867 8.917 4.025 1.00 0.00 S ATOM 912 CE MET A 59 -6.704 8.150 5.151 1.00 0.00 C ATOM 0 H MET A 59 -7.104 12.115 7.410 1.00 0.00 H new ATOM 0 HA MET A 59 -9.414 12.393 5.924 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.670 10.161 6.852 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.273 9.695 6.320 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.769 11.128 4.207 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.099 11.071 4.734 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.516 7.123 4.837 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.768 8.709 5.144 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.119 8.151 6.159 1.00 0.00 H new ATOM 922 N LYS A 60 -11.391 11.155 7.084 1.00 0.00 N ATOM 923 CA LYS A 60 -12.599 10.865 7.846 1.00 0.00 C ATOM 924 C LYS A 60 -12.728 9.368 8.113 1.00 0.00 C ATOM 925 O LYS A 60 -11.916 8.573 7.643 1.00 0.00 O ATOM 926 CB LYS A 60 -13.834 11.367 7.095 1.00 0.00 C ATOM 927 CG LYS A 60 -13.715 12.805 6.621 1.00 0.00 C ATOM 928 CD LYS A 60 -15.079 13.432 6.391 1.00 0.00 C ATOM 929 CE LYS A 60 -14.978 14.692 5.545 1.00 0.00 C ATOM 930 NZ LYS A 60 -16.288 15.061 4.941 1.00 0.00 N ATOM 0 H LYS A 60 -11.497 11.058 6.074 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.527 11.383 8.803 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.012 10.723 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.705 11.278 7.745 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.166 13.388 7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.138 12.838 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.733 12.713 5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.536 13.673 7.351 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.618 15.515 6.162 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.243 14.541 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.177 15.925 4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.620 14.286 4.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.983 15.231 5.696 1.00 0.00 H new ATOM 944 N ASN A 61 -13.754 8.993 8.870 1.00 0.00 N ATOM 945 CA ASN A 61 -13.989 7.591 9.198 1.00 0.00 C ATOM 946 C ASN A 61 -14.115 6.750 7.932 1.00 0.00 C ATOM 947 O ASN A 61 -13.315 5.846 7.694 1.00 0.00 O ATOM 948 CB ASN A 61 -15.254 7.450 10.046 1.00 0.00 C ATOM 949 CG ASN A 61 -15.043 7.899 11.479 1.00 0.00 C ATOM 950 OD1 ASN A 61 -13.915 7.931 11.972 1.00 0.00 O ATOM 951 ND2 ASN A 61 -16.131 8.249 12.156 1.00 0.00 N ATOM 0 H ASN A 61 -14.435 9.639 9.268 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.134 7.229 9.769 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.055 8.038 9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.579 6.410 10.038 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.051 8.560 13.124 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -17.046 8.207 11.708 1.00 0.00 H new ATOM 958 N GLU A 62 -15.125 7.054 7.124 1.00 0.00 N ATOM 959 CA GLU A 62 -15.356 6.325 5.882 1.00 0.00 C ATOM 960 C GLU A 62 -14.118 6.366 4.989 1.00 0.00 C ATOM 961 O GLU A 62 -13.863 5.438 4.224 1.00 0.00 O ATOM 962 CB GLU A 62 -16.556 6.912 5.136 1.00 0.00 C ATOM 963 CG GLU A 62 -16.945 6.125 3.895 1.00 0.00 C ATOM 964 CD GLU A 62 -18.417 6.259 3.557 1.00 0.00 C ATOM 965 OE1 GLU A 62 -19.253 6.094 4.469 1.00 0.00 O ATOM 966 OE2 GLU A 62 -18.732 6.529 2.379 1.00 0.00 O ATOM 0 H GLU A 62 -15.796 7.800 7.307 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.567 5.286 6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.410 6.953 5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.328 7.938 4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.349 6.469 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.705 5.073 4.047 1.00 0.00 H new ATOM 973 N GLU A 63 -13.356 7.450 5.094 1.00 0.00 N ATOM 974 CA GLU A 63 -12.146 7.612 4.296 1.00 0.00 C ATOM 975 C GLU A 63 -11.079 6.605 4.714 1.00 0.00 C ATOM 976 O GLU A 63 -10.139 6.334 3.966 1.00 0.00 O ATOM 977 CB GLU A 63 -11.603 9.036 4.437 1.00 0.00 C ATOM 978 CG GLU A 63 -12.574 10.107 3.971 1.00 0.00 C ATOM 979 CD GLU A 63 -12.695 10.167 2.460 1.00 0.00 C ATOM 980 OE1 GLU A 63 -13.361 9.283 1.883 1.00 0.00 O ATOM 981 OE2 GLU A 63 -12.124 11.099 1.856 1.00 0.00 O ATOM 0 H GLU A 63 -13.555 8.228 5.723 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.403 7.430 3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.349 9.217 5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.679 9.122 3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.556 9.915 4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.246 11.077 4.344 1.00 0.00 H new ATOM 988 N ARG A 64 -11.231 6.054 5.913 1.00 0.00 N ATOM 989 CA ARG A 64 -10.280 5.078 6.432 1.00 0.00 C ATOM 990 C ARG A 64 -10.793 3.656 6.225 1.00 0.00 C ATOM 991 O ARG A 64 -10.010 2.711 6.130 1.00 0.00 O ATOM 992 CB ARG A 64 -10.022 5.327 7.919 1.00 0.00 C ATOM 993 CG ARG A 64 -8.914 6.332 8.185 1.00 0.00 C ATOM 994 CD ARG A 64 -8.776 6.630 9.670 1.00 0.00 C ATOM 995 NE ARG A 64 -8.822 5.414 10.478 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.040 5.411 11.789 1.00 0.00 C ATOM 997 NH1 ARG A 64 -9.230 6.553 12.435 1.00 0.00 N ATOM 998 NH2 ARG A 64 -9.068 4.264 12.455 1.00 0.00 N ATOM 0 H ARG A 64 -12.004 6.267 6.544 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.345 5.192 5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.942 5.681 8.384 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.766 4.382 8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.970 5.944 7.801 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.122 7.256 7.645 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.835 7.149 9.850 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.576 7.302 9.981 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.679 4.519 10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.209 7.437 11.926 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.397 6.548 13.441 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.922 3.384 11.961 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.235 4.262 13.461 1.00 0.00 H new ATOM 1012 N ARG A 65 -12.113 3.512 6.156 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.730 2.206 5.962 1.00 0.00 C ATOM 1014 C ARG A 65 -12.165 1.516 4.724 1.00 0.00 C ATOM 1015 O ARG A 65 -11.908 0.312 4.735 1.00 0.00 O ATOM 1016 CB ARG A 65 -14.247 2.350 5.831 1.00 0.00 C ATOM 1017 CG ARG A 65 -15.025 1.213 6.474 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.489 1.236 6.062 1.00 0.00 C ATOM 1019 NE ARG A 65 -17.128 -0.065 6.240 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.326 -0.368 5.753 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -19.011 0.532 5.061 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.841 -1.573 5.957 1.00 0.00 N ATOM 0 H ARG A 65 -12.775 4.284 6.232 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.504 1.592 6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.555 3.292 6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.508 2.406 4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.581 0.260 6.188 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.950 1.287 7.559 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -17.020 1.984 6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.567 1.538 5.018 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.627 -0.780 6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.618 1.460 4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.931 0.297 4.688 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.317 -2.268 6.488 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.761 -1.804 5.583 1.00 0.00 H new ATOM 1036 N MET A 66 -11.974 2.287 3.659 1.00 0.00 N ATOM 1037 CA MET A 66 -11.438 1.750 2.413 1.00 0.00 C ATOM 1038 C MET A 66 -10.164 0.952 2.669 1.00 0.00 C ATOM 1039 O MET A 66 -9.892 -0.038 1.988 1.00 0.00 O ATOM 1040 CB MET A 66 -11.155 2.882 1.424 1.00 0.00 C ATOM 1041 CG MET A 66 -10.216 3.945 1.971 1.00 0.00 C ATOM 1042 SD MET A 66 -10.243 5.463 0.997 1.00 0.00 S ATOM 1043 CE MET A 66 -11.957 5.951 1.179 1.00 0.00 C ATOM 0 H MET A 66 -12.182 3.285 3.633 1.00 0.00 H new ATOM 0 HA MET A 66 -12.184 1.082 1.984 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.724 2.461 0.516 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.097 3.351 1.142 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.492 4.173 3.000 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.200 3.550 1.994 1.00 0.00 H new ATOM 0 HE1 MET A 66 -12.029 7.039 1.164 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.542 5.537 0.358 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.344 5.575 2.126 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.386 1.388 3.653 1.00 0.00 N ATOM 1054 CA TYR A 67 -8.138 0.715 3.996 1.00 0.00 C ATOM 1055 C TYR A 67 -8.345 -0.261 5.150 1.00 0.00 C ATOM 1056 O TYR A 67 -7.672 -1.288 5.240 1.00 0.00 O ATOM 1057 CB TYR A 67 -7.067 1.742 4.367 1.00 0.00 C ATOM 1058 CG TYR A 67 -7.023 2.935 3.439 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.478 2.829 2.166 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.529 4.167 3.836 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -6.436 3.917 1.315 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -7.492 5.259 2.991 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.944 5.129 1.732 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.905 6.215 0.887 1.00 0.00 O ATOM 0 H TYR A 67 -9.597 2.204 4.227 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.806 0.152 3.124 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.247 2.090 5.384 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.092 1.255 4.365 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.080 1.881 1.836 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.958 4.272 4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.008 3.818 0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.890 6.209 3.314 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.813 6.429 0.587 1.00 0.00 H new ATOM 1074 N THR A 68 -9.283 0.068 6.034 1.00 0.00 N ATOM 1075 CA THR A 68 -9.580 -0.777 7.183 1.00 0.00 C ATOM 1076 C THR A 68 -10.017 -2.170 6.743 1.00 0.00 C ATOM 1077 O THR A 68 -9.340 -3.161 7.021 1.00 0.00 O ATOM 1078 CB THR A 68 -10.682 -0.160 8.065 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.336 1.186 8.411 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.884 -0.979 9.331 1.00 0.00 C ATOM 0 H THR A 68 -9.850 0.914 5.975 1.00 0.00 H new ATOM 0 HA THR A 68 -8.661 -0.854 7.764 1.00 0.00 H new ATOM 0 HB THR A 68 -11.613 -0.161 7.499 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.269 1.726 7.596 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.667 -0.524 9.938 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.176 -1.995 9.064 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.954 -1.006 9.899 1.00 0.00 H new ATOM 1088 N LEU A 69 -11.151 -2.239 6.055 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.679 -3.511 5.576 1.00 0.00 C ATOM 1090 C LEU A 69 -10.719 -4.160 4.584 1.00 0.00 C ATOM 1091 O LEU A 69 -10.394 -5.341 4.702 1.00 0.00 O ATOM 1092 CB LEU A 69 -13.045 -3.305 4.920 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.248 -3.288 5.864 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -14.053 -2.251 6.959 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -15.530 -3.016 5.091 1.00 0.00 C ATOM 0 H LEU A 69 -11.723 -1.429 5.816 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.791 -4.175 6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.024 -2.362 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.196 -4.096 4.186 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.331 -4.269 6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.919 -2.253 7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.158 -2.491 7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.942 -1.264 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.375 -3.008 5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.457 -2.049 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.678 -3.797 4.345 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.267 -3.378 3.608 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.343 -3.877 2.596 1.00 0.00 C ATOM 1109 C GLU A 70 -8.140 -4.555 3.246 1.00 0.00 C ATOM 1110 O GLU A 70 -7.850 -5.720 2.976 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.872 -2.733 1.695 1.00 0.00 C ATOM 1112 CG GLU A 70 -8.012 -3.191 0.530 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.810 -3.920 -0.534 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.477 -3.241 -1.343 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.768 -5.167 -0.557 1.00 0.00 O ATOM 0 H GLU A 70 -10.525 -2.398 3.497 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.871 -4.613 1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.743 -2.205 1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.307 -2.019 2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.523 -2.326 0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.224 -3.847 0.901 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.443 -3.816 4.103 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.272 -4.345 4.792 1.00 0.00 C ATOM 1124 C ALA A 71 -6.663 -5.450 5.768 1.00 0.00 C ATOM 1125 O ALA A 71 -5.854 -6.318 6.096 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.540 -3.229 5.522 1.00 0.00 C ATOM 0 H ALA A 71 -7.669 -2.849 4.337 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.604 -4.774 4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.668 -3.639 6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.219 -2.474 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.208 -2.774 6.254 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.908 -5.412 6.230 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.408 -6.411 7.168 1.00 0.00 C ATOM 1134 C LYS A 72 -8.646 -7.745 6.467 1.00 0.00 C ATOM 1135 O LYS A 72 -8.546 -8.806 7.082 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.705 -5.925 7.818 1.00 0.00 C ATOM 1137 CG LYS A 72 -10.344 -6.950 8.739 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.624 -6.419 9.362 1.00 0.00 C ATOM 1139 CE LYS A 72 -12.813 -6.599 8.430 1.00 0.00 C ATOM 1140 NZ LYS A 72 -13.230 -8.025 8.332 1.00 0.00 N ATOM 0 H LYS A 72 -8.590 -4.700 5.970 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.654 -6.557 7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.499 -5.017 8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.416 -5.658 7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.561 -7.859 8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.641 -7.222 9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.815 -6.937 10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.503 -5.362 9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.650 -6.000 8.789 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.557 -6.227 7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.190 -8.080 7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.570 -8.538 7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.221 -8.455 9.279 1.00 0.00 H new