USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=14 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= -4.01! C(o=-4!,f=-1.4!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00911) USER MOD Single : A 31 LYS NZ :NH3+ 156:sc= 0.0533 (180deg=-0.00151) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -30:sc= -0.595 USER MOD Single : A 37 THR OG1 : rot 25:sc= 0.00376 USER MOD Single : A 38 GLN : amide:sc= -0.0779 K(o=-0.078,f=-0.79) 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+ 161:sc= 0.5 (180deg=0.0878) USER MOD Single : A 45 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.53) USER MOD Single : A 49 SER OG : rot 78:sc= 0.205 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0287) USER MOD Single : A 59 MET CE :methyl 171:sc= -1.86 (180deg=-1.87) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 66 MET CE :methyl 141:sc= -0.336 (180deg=-3.86) USER MOD Single : A 67 TYR OH : rot 109:sc= 0.052 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.956 USER MOD Single : A 72 LYS NZ :NH3+ -165:sc=-0.00325 (180deg=-0.116) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -1.034 -3.588 7.749 1.00 0.00 N ATOM 288 CA ASN A 23 -2.214 -3.036 8.405 1.00 0.00 C ATOM 289 C ASN A 23 -2.896 -2.000 7.518 1.00 0.00 C ATOM 290 O ASN A 23 -2.484 -1.775 6.380 1.00 0.00 O ATOM 291 CB ASN A 23 -1.830 -2.404 9.745 1.00 0.00 C ATOM 292 CG ASN A 23 -0.561 -1.578 9.651 1.00 0.00 C ATOM 293 OD1 ASN A 23 0.540 -2.084 9.870 1.00 0.00 O ATOM 294 ND2 ASN A 23 -0.711 -0.299 9.325 1.00 0.00 N ATOM 0 HA ASN A 23 -2.914 -3.852 8.583 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.647 -1.772 10.093 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.695 -3.189 10.489 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.106 0.307 9.247 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.643 0.077 9.152 1.00 0.00 H new ATOM 301 N ALA A 24 -3.940 -1.371 8.046 1.00 0.00 N ATOM 302 CA ALA A 24 -4.678 -0.356 7.304 1.00 0.00 C ATOM 303 C ALA A 24 -3.766 0.797 6.897 1.00 0.00 C ATOM 304 O ALA A 24 -3.640 1.114 5.714 1.00 0.00 O ATOM 305 CB ALA A 24 -5.846 0.158 8.131 1.00 0.00 C ATOM 0 H ALA A 24 -4.295 -1.546 8.986 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.066 -0.816 6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.388 0.915 7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.517 -0.668 8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.472 0.596 9.056 1.00 0.00 H new ATOM 311 N PHE A 25 -3.133 1.421 7.884 1.00 0.00 N ATOM 312 CA PHE A 25 -2.235 2.541 7.629 1.00 0.00 C ATOM 313 C PHE A 25 -1.186 2.169 6.584 1.00 0.00 C ATOM 314 O PHE A 25 -0.868 2.963 5.699 1.00 0.00 O ATOM 315 CB PHE A 25 -1.547 2.977 8.924 1.00 0.00 C ATOM 316 CG PHE A 25 -0.500 4.034 8.721 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.862 5.359 8.536 1.00 0.00 C ATOM 318 CD2 PHE A 25 0.845 3.703 8.714 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.099 6.335 8.350 1.00 0.00 C ATOM 320 CE2 PHE A 25 1.810 4.675 8.528 1.00 0.00 C ATOM 321 CZ PHE A 25 1.437 5.992 8.345 1.00 0.00 C ATOM 0 H PHE A 25 -3.225 1.170 8.868 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.829 3.370 7.245 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.300 3.351 9.618 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.087 2.107 9.392 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.907 5.632 8.537 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.143 2.675 8.855 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.196 7.364 8.209 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.856 4.405 8.526 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.190 6.752 8.198 1.00 0.00 H new ATOM 331 N MET A 26 -0.653 0.957 6.694 1.00 0.00 N ATOM 332 CA MET A 26 0.359 0.479 5.759 1.00 0.00 C ATOM 333 C MET A 26 -0.109 0.652 4.317 1.00 0.00 C ATOM 334 O MET A 26 0.648 1.110 3.460 1.00 0.00 O ATOM 335 CB MET A 26 0.681 -0.991 6.030 1.00 0.00 C ATOM 336 CG MET A 26 1.800 -1.193 7.038 1.00 0.00 C ATOM 337 SD MET A 26 3.321 -1.794 6.277 1.00 0.00 S ATOM 338 CE MET A 26 4.343 -2.056 7.724 1.00 0.00 C ATOM 0 H MET A 26 -0.905 0.288 7.421 1.00 0.00 H new ATOM 0 HA MET A 26 1.261 1.073 5.904 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.218 -1.490 6.392 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.957 -1.473 5.092 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.001 -0.250 7.546 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.474 -1.902 7.799 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.320 -2.429 7.417 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.466 -1.114 8.258 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.866 -2.785 8.379 1.00 0.00 H new ATOM 348 N LEU A 27 -1.358 0.284 4.057 1.00 0.00 N ATOM 349 CA LEU A 27 -1.926 0.398 2.718 1.00 0.00 C ATOM 350 C LEU A 27 -1.983 1.856 2.273 1.00 0.00 C ATOM 351 O LEU A 27 -1.902 2.156 1.082 1.00 0.00 O ATOM 352 CB LEU A 27 -3.328 -0.212 2.684 1.00 0.00 C ATOM 353 CG LEU A 27 -3.703 -0.963 1.406 1.00 0.00 C ATOM 354 CD1 LEU A 27 -2.753 -2.129 1.174 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.142 -1.451 1.476 1.00 0.00 C ATOM 0 H LEU A 27 -1.997 -0.096 4.755 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.282 -0.148 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.425 -0.898 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.054 0.587 2.838 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.615 -0.276 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.035 -2.652 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.734 -1.754 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.809 -2.817 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.391 -1.983 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.258 -2.122 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.810 -0.598 1.593 1.00 0.00 H new ATOM 367 N PHE A 28 -2.120 2.759 3.239 1.00 0.00 N ATOM 368 CA PHE A 28 -2.186 4.186 2.947 1.00 0.00 C ATOM 369 C PHE A 28 -0.800 4.743 2.639 1.00 0.00 C ATOM 370 O PHE A 28 -0.561 5.279 1.557 1.00 0.00 O ATOM 371 CB PHE A 28 -2.801 4.942 4.127 1.00 0.00 C ATOM 372 CG PHE A 28 -2.625 6.431 4.043 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.509 7.042 4.592 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.575 7.220 3.414 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.345 8.412 4.516 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.416 8.591 3.335 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.299 9.187 3.886 1.00 0.00 C ATOM 0 H PHE A 28 -2.187 2.528 4.230 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.817 4.322 2.068 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.865 4.713 4.180 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.351 4.583 5.052 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.759 6.441 5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.450 6.758 2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.471 8.876 4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.164 9.195 2.843 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.171 10.258 3.824 1.00 0.00 H new ATOM 387 N ALA A 29 0.111 4.612 3.598 1.00 0.00 N ATOM 388 CA ALA A 29 1.474 5.100 3.429 1.00 0.00 C ATOM 389 C ALA A 29 2.087 4.581 2.133 1.00 0.00 C ATOM 390 O ALA A 29 2.924 5.244 1.521 1.00 0.00 O ATOM 391 CB ALA A 29 2.331 4.695 4.620 1.00 0.00 C ATOM 0 H ALA A 29 -0.071 4.172 4.500 1.00 0.00 H new ATOM 0 HA ALA A 29 1.439 6.188 3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.346 5.066 4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.911 5.120 5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.350 3.608 4.702 1.00 0.00 H new ATOM 397 N LYS A 30 1.664 3.391 1.720 1.00 0.00 N ATOM 398 CA LYS A 30 2.171 2.782 0.496 1.00 0.00 C ATOM 399 C LYS A 30 1.468 3.357 -0.730 1.00 0.00 C ATOM 400 O LYS A 30 2.114 3.840 -1.660 1.00 0.00 O ATOM 401 CB LYS A 30 1.980 1.264 0.540 1.00 0.00 C ATOM 402 CG LYS A 30 2.426 0.558 -0.728 1.00 0.00 C ATOM 403 CD LYS A 30 2.073 -0.920 -0.697 1.00 0.00 C ATOM 404 CE LYS A 30 3.213 -1.754 -0.134 1.00 0.00 C ATOM 405 NZ LYS A 30 4.305 -1.944 -1.128 1.00 0.00 N ATOM 0 H LYS A 30 0.971 2.829 2.215 1.00 0.00 H new ATOM 0 HA LYS A 30 3.235 3.007 0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.537 0.861 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.927 1.044 0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.955 1.027 -1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.503 0.673 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.179 -1.069 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.836 -1.260 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.613 -1.269 0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.832 -2.727 0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.023 -2.587 -0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.913 -2.353 -2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.743 -1.025 -1.343 1.00 0.00 H new ATOM 419 N LYS A 31 0.140 3.304 -0.723 1.00 0.00 N ATOM 420 CA LYS A 31 -0.652 3.823 -1.833 1.00 0.00 C ATOM 421 C LYS A 31 -0.340 5.295 -2.083 1.00 0.00 C ATOM 422 O LYS A 31 -0.452 5.780 -3.209 1.00 0.00 O ATOM 423 CB LYS A 31 -2.145 3.649 -1.545 1.00 0.00 C ATOM 424 CG LYS A 31 -3.025 3.825 -2.770 1.00 0.00 C ATOM 425 CD LYS A 31 -4.493 3.619 -2.437 1.00 0.00 C ATOM 426 CE LYS A 31 -4.797 2.159 -2.137 1.00 0.00 C ATOM 427 NZ LYS A 31 -6.261 1.905 -2.044 1.00 0.00 N ATOM 0 H LYS A 31 -0.410 2.907 0.039 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.392 3.258 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.313 2.656 -1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.446 4.370 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.881 4.824 -3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.723 3.116 -3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.761 4.232 -1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.107 3.956 -3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.368 1.531 -2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.319 1.874 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.453 0.903 -2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.593 2.135 -1.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.761 2.499 -2.736 1.00 0.00 H new ATOM 441 N TYR A 32 0.055 5.999 -1.028 1.00 0.00 N ATOM 442 CA TYR A 32 0.382 7.416 -1.134 1.00 0.00 C ATOM 443 C TYR A 32 1.893 7.627 -1.132 1.00 0.00 C ATOM 444 O TYR A 32 2.373 8.757 -1.048 1.00 0.00 O ATOM 445 CB TYR A 32 -0.254 8.195 0.018 1.00 0.00 C ATOM 446 CG TYR A 32 -1.731 8.456 -0.171 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.628 7.406 -0.323 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.231 9.752 -0.197 1.00 0.00 C ATOM 449 CE1 TYR A 32 -3.979 7.639 -0.497 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.580 9.995 -0.369 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.450 8.935 -0.518 1.00 0.00 C ATOM 452 OH TYR A 32 -5.794 9.173 -0.690 1.00 0.00 O ATOM 0 H TYR A 32 0.156 5.612 -0.090 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.018 7.786 -2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.107 7.641 0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.263 9.148 0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.263 6.390 -0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.553 10.584 -0.081 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.662 6.811 -0.616 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.951 11.009 -0.387 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.959 10.139 -0.680 1.00 0.00 H new ATOM 462 N ARG A 33 2.638 6.530 -1.226 1.00 0.00 N ATOM 463 CA ARG A 33 4.094 6.593 -1.235 1.00 0.00 C ATOM 464 C ARG A 33 4.601 7.280 -2.499 1.00 0.00 C ATOM 465 O ARG A 33 5.080 8.413 -2.453 1.00 0.00 O ATOM 466 CB ARG A 33 4.688 5.186 -1.134 1.00 0.00 C ATOM 467 CG ARG A 33 6.206 5.169 -1.077 1.00 0.00 C ATOM 468 CD ARG A 33 6.720 3.984 -0.275 1.00 0.00 C ATOM 469 NE ARG A 33 6.899 2.796 -1.106 1.00 0.00 N ATOM 470 CZ ARG A 33 7.061 1.573 -0.615 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.067 1.377 0.697 1.00 0.00 N ATOM 472 NH2 ARG A 33 7.218 0.542 -1.436 1.00 0.00 N ATOM 0 H ARG A 33 2.256 5.587 -1.297 1.00 0.00 H new ATOM 0 HA ARG A 33 4.412 7.177 -0.372 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.294 4.697 -0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.358 4.599 -1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.609 5.127 -2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.565 6.096 -0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.670 4.247 0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.020 3.761 0.530 1.00 0.00 H new ATOM 0 HE ARG A 33 6.900 2.912 -2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.947 2.167 1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.192 0.436 1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.214 0.689 -2.445 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.342 -0.397 -1.058 1.00 0.00 H new ATOM 486 N VAL A 34 4.492 6.587 -3.628 1.00 0.00 N ATOM 487 CA VAL A 34 4.938 7.130 -4.905 1.00 0.00 C ATOM 488 C VAL A 34 4.299 8.487 -5.179 1.00 0.00 C ATOM 489 O VAL A 34 4.921 9.369 -5.769 1.00 0.00 O ATOM 490 CB VAL A 34 4.608 6.175 -6.068 1.00 0.00 C ATOM 491 CG1 VAL A 34 3.109 5.929 -6.147 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.135 6.733 -7.381 1.00 0.00 C ATOM 0 H VAL A 34 4.098 5.648 -3.684 1.00 0.00 H new ATOM 0 HA VAL A 34 6.020 7.248 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 34 5.100 5.220 -5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.894 5.252 -6.974 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.764 5.483 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.593 6.875 -6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.893 6.046 -8.192 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.674 7.701 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.217 6.853 -7.317 1.00 0.00 H new ATOM 502 N GLU A 35 3.052 8.646 -4.745 1.00 0.00 N ATOM 503 CA GLU A 35 2.328 9.896 -4.944 1.00 0.00 C ATOM 504 C GLU A 35 3.090 11.069 -4.334 1.00 0.00 C ATOM 505 O GLU A 35 3.074 12.178 -4.867 1.00 0.00 O ATOM 506 CB GLU A 35 0.931 9.805 -4.328 1.00 0.00 C ATOM 507 CG GLU A 35 0.176 8.544 -4.714 1.00 0.00 C ATOM 508 CD GLU A 35 0.288 8.226 -6.192 1.00 0.00 C ATOM 509 OE1 GLU A 35 0.337 9.176 -7.002 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.327 7.027 -6.539 1.00 0.00 O ATOM 0 H GLU A 35 2.523 7.925 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 35 2.234 10.065 -6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.018 9.848 -3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.350 10.675 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.560 7.704 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.875 8.659 -4.450 1.00 0.00 H new ATOM 517 N TYR A 36 3.756 10.815 -3.213 1.00 0.00 N ATOM 518 CA TYR A 36 4.521 11.849 -2.527 1.00 0.00 C ATOM 519 C TYR A 36 5.988 11.809 -2.946 1.00 0.00 C ATOM 520 O TYR A 36 6.690 12.819 -2.891 1.00 0.00 O ATOM 521 CB TYR A 36 4.407 11.678 -1.012 1.00 0.00 C ATOM 522 CG TYR A 36 3.131 12.247 -0.433 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.889 11.825 -0.891 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.168 13.204 0.573 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.721 12.342 -0.365 1.00 0.00 C ATOM 526 CE2 TYR A 36 2.005 13.726 1.106 1.00 0.00 C ATOM 527 CZ TYR A 36 0.784 13.292 0.633 1.00 0.00 C ATOM 528 OH TYR A 36 -0.378 13.809 1.160 1.00 0.00 O ATOM 0 H TYR A 36 3.781 9.901 -2.760 1.00 0.00 H new ATOM 0 HA TYR A 36 4.107 12.818 -2.808 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.465 10.617 -0.769 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.260 12.161 -0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.836 11.080 -1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.122 13.546 0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.236 12.004 -0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.052 14.469 1.888 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.078 13.804 0.475 1.00 0.00 H new ATOM 538 N THR A 37 6.445 10.633 -3.365 1.00 0.00 N ATOM 539 CA THR A 37 7.827 10.458 -3.792 1.00 0.00 C ATOM 540 C THR A 37 8.158 11.369 -4.969 1.00 0.00 C ATOM 541 O THR A 37 9.300 11.801 -5.129 1.00 0.00 O ATOM 542 CB THR A 37 8.111 8.998 -4.193 1.00 0.00 C ATOM 543 OG1 THR A 37 7.556 8.106 -3.220 1.00 0.00 O ATOM 544 CG2 THR A 37 9.607 8.753 -4.318 1.00 0.00 C ATOM 0 H THR A 37 5.877 9.787 -3.418 1.00 0.00 H new ATOM 0 HA THR A 37 8.456 10.723 -2.942 1.00 0.00 H new ATOM 0 HB THR A 37 7.646 8.813 -5.161 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.809 8.545 -2.762 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.783 7.715 -4.602 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.021 9.413 -5.080 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.090 8.955 -3.362 1.00 0.00 H new ATOM 552 N GLN A 38 7.152 11.659 -5.788 1.00 0.00 N ATOM 553 CA GLN A 38 7.338 12.520 -6.950 1.00 0.00 C ATOM 554 C GLN A 38 6.913 13.951 -6.641 1.00 0.00 C ATOM 555 O GLN A 38 7.460 14.905 -7.195 1.00 0.00 O ATOM 556 CB GLN A 38 6.541 11.984 -8.141 1.00 0.00 C ATOM 557 CG GLN A 38 6.792 10.513 -8.429 1.00 0.00 C ATOM 558 CD GLN A 38 6.006 10.010 -9.623 1.00 0.00 C ATOM 559 OE1 GLN A 38 5.425 10.794 -10.374 1.00 0.00 O ATOM 560 NE2 GLN A 38 5.984 8.695 -9.807 1.00 0.00 N ATOM 0 H GLN A 38 6.201 11.311 -5.668 1.00 0.00 H new ATOM 0 HA GLN A 38 8.398 12.522 -7.203 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.478 12.132 -7.952 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.792 12.567 -9.027 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.856 10.358 -8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.527 9.924 -7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.479 8.081 -9.160 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.472 8.299 -10.595 1.00 0.00 H new ATOM 569 N MET A 39 5.935 14.094 -5.753 1.00 0.00 N ATOM 570 CA MET A 39 5.437 15.410 -5.370 1.00 0.00 C ATOM 571 C MET A 39 6.446 16.137 -4.486 1.00 0.00 C ATOM 572 O MET A 39 6.493 17.367 -4.463 1.00 0.00 O ATOM 573 CB MET A 39 4.101 15.280 -4.637 1.00 0.00 C ATOM 574 CG MET A 39 2.895 15.300 -5.563 1.00 0.00 C ATOM 575 SD MET A 39 1.391 15.848 -4.734 1.00 0.00 S ATOM 576 CE MET A 39 0.650 14.276 -4.302 1.00 0.00 C ATOM 0 H MET A 39 5.472 13.315 -5.285 1.00 0.00 H new ATOM 0 HA MET A 39 5.289 15.993 -6.279 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.097 14.350 -4.068 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.010 16.094 -3.918 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.101 15.959 -6.407 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.738 14.301 -5.970 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.292 14.449 -3.781 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.463 13.701 -5.209 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.327 13.721 -3.653 1.00 0.00 H new ATOM 586 N TYR A 40 7.251 15.369 -3.760 1.00 0.00 N ATOM 587 CA TYR A 40 8.257 15.940 -2.873 1.00 0.00 C ATOM 588 C TYR A 40 9.603 15.244 -3.056 1.00 0.00 C ATOM 589 O TYR A 40 10.058 14.482 -2.203 1.00 0.00 O ATOM 590 CB TYR A 40 7.806 15.826 -1.415 1.00 0.00 C ATOM 591 CG TYR A 40 6.546 16.604 -1.110 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.305 16.153 -1.544 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.595 17.790 -0.388 1.00 0.00 C ATOM 594 CE1 TYR A 40 4.151 16.860 -1.267 1.00 0.00 C ATOM 595 CE2 TYR A 40 5.447 18.503 -0.105 1.00 0.00 C ATOM 596 CZ TYR A 40 4.227 18.034 -0.547 1.00 0.00 C ATOM 597 OH TYR A 40 3.080 18.742 -0.269 1.00 0.00 O ATOM 0 H TYR A 40 7.226 14.349 -3.769 1.00 0.00 H new ATOM 0 HA TYR A 40 8.375 16.993 -3.129 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.642 14.776 -1.175 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.608 16.180 -0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.242 15.234 -2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.548 18.161 -0.042 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.195 16.496 -1.612 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.504 19.422 0.459 1.00 0.00 H new ATOM 0 HH TYR A 40 3.307 19.544 0.247 1.00 0.00 H new ATOM 607 N PRO A 41 10.256 15.513 -4.196 1.00 0.00 N ATOM 608 CA PRO A 41 11.559 14.925 -4.519 1.00 0.00 C ATOM 609 C PRO A 41 12.676 15.470 -3.636 1.00 0.00 C ATOM 610 O PRO A 41 13.594 14.743 -3.260 1.00 0.00 O ATOM 611 CB PRO A 41 11.782 15.334 -5.977 1.00 0.00 C ATOM 612 CG PRO A 41 10.972 16.573 -6.150 1.00 0.00 C ATOM 613 CD PRO A 41 9.772 16.412 -5.258 1.00 0.00 C ATOM 0 HA PRO A 41 11.570 13.847 -4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.837 15.519 -6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.458 14.550 -6.662 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.547 17.457 -5.874 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.671 16.700 -7.190 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.440 17.369 -4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.927 15.982 -5.795 1.00 0.00 H new ATOM 621 N GLY A 42 12.591 16.756 -3.308 1.00 0.00 N ATOM 622 CA GLY A 42 13.601 17.377 -2.471 1.00 0.00 C ATOM 623 C GLY A 42 13.610 16.818 -1.062 1.00 0.00 C ATOM 624 O GLY A 42 14.622 16.888 -0.364 1.00 0.00 O ATOM 0 H GLY A 42 11.841 17.379 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.582 17.232 -2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.425 18.452 -2.431 1.00 0.00 H new ATOM 628 N LYS A 43 12.478 16.263 -0.640 1.00 0.00 N ATOM 629 CA LYS A 43 12.358 15.691 0.695 1.00 0.00 C ATOM 630 C LYS A 43 12.862 14.251 0.717 1.00 0.00 C ATOM 631 O LYS A 43 13.003 13.617 -0.329 1.00 0.00 O ATOM 632 CB LYS A 43 10.902 15.740 1.164 1.00 0.00 C ATOM 633 CG LYS A 43 10.470 17.108 1.662 1.00 0.00 C ATOM 634 CD LYS A 43 9.183 17.028 2.466 1.00 0.00 C ATOM 635 CE LYS A 43 8.840 18.365 3.104 1.00 0.00 C ATOM 636 NZ LYS A 43 8.020 19.218 2.199 1.00 0.00 N ATOM 0 H LYS A 43 11.631 16.198 -1.204 1.00 0.00 H new ATOM 0 HA LYS A 43 12.972 16.283 1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.253 15.441 0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.761 15.011 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.259 17.538 2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.329 17.777 0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.366 16.713 1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.284 16.269 3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.297 18.195 4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.759 18.890 3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.542 19.955 2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.636 19.664 1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.308 18.631 1.719 1.00 0.00 H new ATOM 650 N ASP A 44 13.129 13.741 1.914 1.00 0.00 N ATOM 651 CA ASP A 44 13.614 12.375 2.072 1.00 0.00 C ATOM 652 C ASP A 44 12.477 11.435 2.460 1.00 0.00 C ATOM 653 O ASP A 44 11.428 11.875 2.928 1.00 0.00 O ATOM 654 CB ASP A 44 14.719 12.322 3.128 1.00 0.00 C ATOM 655 CG ASP A 44 16.088 12.624 2.551 1.00 0.00 C ATOM 656 OD1 ASP A 44 16.158 13.364 1.547 1.00 0.00 O ATOM 657 OD2 ASP A 44 17.088 12.122 3.103 1.00 0.00 O ATOM 0 H ASP A 44 13.018 14.253 2.789 1.00 0.00 H new ATOM 0 HA ASP A 44 14.021 12.048 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.496 13.038 3.919 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.732 11.333 3.587 1.00 0.00 H new ATOM 662 N ASN A 45 12.693 10.139 2.261 1.00 0.00 N ATOM 663 CA ASN A 45 11.685 9.137 2.589 1.00 0.00 C ATOM 664 C ASN A 45 11.196 9.307 4.024 1.00 0.00 C ATOM 665 O ASN A 45 10.009 9.147 4.310 1.00 0.00 O ATOM 666 CB ASN A 45 12.252 7.730 2.394 1.00 0.00 C ATOM 667 CG ASN A 45 13.682 7.609 2.887 1.00 0.00 C ATOM 668 OD1 ASN A 45 14.630 7.768 2.118 1.00 0.00 O ATOM 669 ND2 ASN A 45 13.842 7.327 4.174 1.00 0.00 N ATOM 0 H ASN A 45 13.557 9.758 1.874 1.00 0.00 H new ATOM 0 HA ASN A 45 10.838 9.276 1.917 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.626 7.012 2.924 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.212 7.468 1.337 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.780 7.234 4.563 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.027 7.204 4.774 1.00 0.00 H new ATOM 676 N ARG A 46 12.119 9.631 4.924 1.00 0.00 N ATOM 677 CA ARG A 46 11.783 9.821 6.329 1.00 0.00 C ATOM 678 C ARG A 46 10.723 10.907 6.493 1.00 0.00 C ATOM 679 O ARG A 46 9.909 10.859 7.414 1.00 0.00 O ATOM 680 CB ARG A 46 13.034 10.190 7.129 1.00 0.00 C ATOM 681 CG ARG A 46 12.746 10.546 8.579 1.00 0.00 C ATOM 682 CD ARG A 46 14.007 10.990 9.304 1.00 0.00 C ATOM 683 NE ARG A 46 14.418 12.336 8.912 1.00 0.00 N ATOM 684 CZ ARG A 46 15.542 12.911 9.326 1.00 0.00 C ATOM 685 NH1 ARG A 46 16.362 12.261 10.140 1.00 0.00 N ATOM 686 NH2 ARG A 46 15.847 14.139 8.926 1.00 0.00 N ATOM 0 H ARG A 46 13.106 9.767 4.704 1.00 0.00 H new ATOM 0 HA ARG A 46 11.379 8.883 6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.733 9.354 7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.527 11.034 6.647 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.003 11.342 8.619 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.317 9.683 9.088 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.835 10.962 10.380 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.814 10.288 9.092 1.00 0.00 H new ATOM 0 HE ARG A 46 13.809 12.863 8.286 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.131 11.317 10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.224 12.705 10.456 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.218 14.642 8.300 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.710 14.579 9.244 1.00 0.00 H new ATOM 700 N ALA A 47 10.741 11.884 5.592 1.00 0.00 N ATOM 701 CA ALA A 47 9.781 12.980 5.635 1.00 0.00 C ATOM 702 C ALA A 47 8.438 12.557 5.052 1.00 0.00 C ATOM 703 O ALA A 47 7.383 12.872 5.604 1.00 0.00 O ATOM 704 CB ALA A 47 10.326 14.189 4.888 1.00 0.00 C ATOM 0 H ALA A 47 11.410 11.939 4.824 1.00 0.00 H new ATOM 0 HA ALA A 47 9.624 13.252 6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.599 15.000 4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.257 14.514 5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.513 13.920 3.848 1.00 0.00 H new ATOM 710 N ILE A 48 8.483 11.842 3.932 1.00 0.00 N ATOM 711 CA ILE A 48 7.269 11.376 3.275 1.00 0.00 C ATOM 712 C ILE A 48 6.402 10.564 4.232 1.00 0.00 C ATOM 713 O ILE A 48 5.186 10.745 4.289 1.00 0.00 O ATOM 714 CB ILE A 48 7.593 10.515 2.039 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.450 11.307 1.050 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.310 10.040 1.374 1.00 0.00 C ATOM 717 CD1 ILE A 48 7.747 12.515 0.472 1.00 0.00 C ATOM 0 H ILE A 48 9.347 11.573 3.461 1.00 0.00 H new ATOM 0 HA ILE A 48 6.722 12.264 2.957 1.00 0.00 H new ATOM 0 HB ILE A 48 8.158 9.640 2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.361 11.633 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.752 10.649 0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.555 9.433 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.733 9.444 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.721 10.902 1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.415 13.028 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.850 12.195 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.469 13.194 1.278 1.00 0.00 H new ATOM 729 N SER A 49 7.037 9.671 4.984 1.00 0.00 N ATOM 730 CA SER A 49 6.324 8.829 5.938 1.00 0.00 C ATOM 731 C SER A 49 5.617 9.680 6.989 1.00 0.00 C ATOM 732 O SER A 49 4.478 9.403 7.364 1.00 0.00 O ATOM 733 CB SER A 49 7.292 7.859 6.617 1.00 0.00 C ATOM 734 OG SER A 49 8.052 7.143 5.659 1.00 0.00 O ATOM 0 H SER A 49 8.044 9.512 4.951 1.00 0.00 H new ATOM 0 HA SER A 49 5.573 8.258 5.392 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.961 8.411 7.278 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.734 7.160 7.240 1.00 0.00 H new ATOM 0 HG SER A 49 8.772 7.714 5.319 1.00 0.00 H new ATOM 740 N VAL A 50 6.303 10.716 7.462 1.00 0.00 N ATOM 741 CA VAL A 50 5.742 11.608 8.469 1.00 0.00 C ATOM 742 C VAL A 50 4.550 12.382 7.916 1.00 0.00 C ATOM 743 O VAL A 50 3.455 12.341 8.478 1.00 0.00 O ATOM 744 CB VAL A 50 6.795 12.608 8.982 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.187 13.537 10.022 1.00 0.00 C ATOM 746 CG2 VAL A 50 7.996 11.870 9.553 1.00 0.00 C ATOM 0 H VAL A 50 7.248 10.958 7.164 1.00 0.00 H new ATOM 0 HA VAL A 50 5.412 10.981 9.298 1.00 0.00 H new ATOM 0 HB VAL A 50 7.135 13.214 8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.946 14.236 10.373 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.361 14.091 9.576 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.818 12.950 10.863 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.730 12.592 9.911 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.675 11.238 10.381 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.445 11.250 8.777 1.00 0.00 H new ATOM 756 N ILE A 51 4.770 13.085 6.810 1.00 0.00 N ATOM 757 CA ILE A 51 3.714 13.867 6.180 1.00 0.00 C ATOM 758 C ILE A 51 2.499 12.999 5.869 1.00 0.00 C ATOM 759 O ILE A 51 1.365 13.480 5.860 1.00 0.00 O ATOM 760 CB ILE A 51 4.204 14.530 4.879 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.404 15.436 5.163 1.00 0.00 C ATOM 762 CG2 ILE A 51 3.078 15.321 4.231 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.184 15.812 3.923 1.00 0.00 C ATOM 0 H ILE A 51 5.670 13.129 6.332 1.00 0.00 H new ATOM 0 HA ILE A 51 3.431 14.644 6.889 1.00 0.00 H new ATOM 0 HB ILE A 51 4.518 13.749 4.187 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.055 16.345 5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.071 14.933 5.863 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.440 15.784 3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.250 14.651 3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.736 16.096 4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.020 16.455 4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.564 14.909 3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.532 16.343 3.230 1.00 0.00 H new ATOM 775 N LEU A 52 2.743 11.718 5.615 1.00 0.00 N ATOM 776 CA LEU A 52 1.669 10.781 5.305 1.00 0.00 C ATOM 777 C LEU A 52 0.736 10.608 6.500 1.00 0.00 C ATOM 778 O LEU A 52 -0.484 10.688 6.364 1.00 0.00 O ATOM 779 CB LEU A 52 2.250 9.426 4.897 1.00 0.00 C ATOM 780 CG LEU A 52 2.635 9.278 3.425 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.381 7.972 3.197 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.399 9.349 2.540 1.00 0.00 C ATOM 0 H LEU A 52 3.675 11.304 5.618 1.00 0.00 H new ATOM 0 HA LEU A 52 1.093 11.188 4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.135 9.234 5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.522 8.652 5.141 1.00 0.00 H new ATOM 0 HG LEU A 52 3.296 10.102 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.647 7.884 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.287 7.960 3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.744 7.135 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.693 9.242 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.713 8.546 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.905 10.310 2.681 1.00 0.00 H new ATOM 794 N GLY A 53 1.319 10.373 7.671 1.00 0.00 N ATOM 795 CA GLY A 53 0.526 10.195 8.873 1.00 0.00 C ATOM 796 C GLY A 53 -0.461 11.325 9.089 1.00 0.00 C ATOM 797 O GLY A 53 -1.638 11.088 9.361 1.00 0.00 O ATOM 0 H GLY A 53 2.327 10.303 7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.015 9.251 8.811 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.189 10.126 9.735 1.00 0.00 H new ATOM 801 N ASP A 54 0.020 12.558 8.970 1.00 0.00 N ATOM 802 CA ASP A 54 -0.828 13.730 9.155 1.00 0.00 C ATOM 803 C ASP A 54 -2.083 13.634 8.294 1.00 0.00 C ATOM 804 O ASP A 54 -3.190 13.905 8.761 1.00 0.00 O ATOM 805 CB ASP A 54 -0.055 15.004 8.812 1.00 0.00 C ATOM 806 CG ASP A 54 -0.603 16.224 9.526 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.780 16.190 9.940 1.00 0.00 O ATOM 808 OD2 ASP A 54 0.146 17.213 9.671 1.00 0.00 O ATOM 0 H ASP A 54 0.992 12.772 8.746 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.130 13.768 10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.994 14.872 9.078 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.093 15.169 7.735 1.00 0.00 H new ATOM 813 N ARG A 55 -1.903 13.249 7.035 1.00 0.00 N ATOM 814 CA ARG A 55 -3.021 13.120 6.108 1.00 0.00 C ATOM 815 C ARG A 55 -4.015 12.071 6.597 1.00 0.00 C ATOM 816 O ARG A 55 -5.228 12.259 6.503 1.00 0.00 O ATOM 817 CB ARG A 55 -2.514 12.747 4.714 1.00 0.00 C ATOM 818 CG ARG A 55 -1.867 13.904 3.971 1.00 0.00 C ATOM 819 CD ARG A 55 -2.719 14.360 2.797 1.00 0.00 C ATOM 820 NE ARG A 55 -2.260 15.633 2.249 1.00 0.00 N ATOM 821 CZ ARG A 55 -2.984 16.383 1.425 1.00 0.00 C ATOM 822 NH1 ARG A 55 -4.196 15.988 1.057 1.00 0.00 N ATOM 823 NH2 ARG A 55 -2.498 17.529 0.968 1.00 0.00 N ATOM 0 H ARG A 55 -0.994 13.021 6.633 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.531 14.082 6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.792 11.935 4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.348 12.368 4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.714 14.738 4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.883 13.602 3.612 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.696 13.600 2.016 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.756 14.456 3.118 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.332 15.965 2.513 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.573 15.107 1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.750 16.565 0.424 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.567 17.836 1.249 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.055 18.103 0.336 1.00 0.00 H new ATOM 837 N TRP A 56 -3.492 10.967 7.119 1.00 0.00 N ATOM 838 CA TRP A 56 -4.334 9.888 7.623 1.00 0.00 C ATOM 839 C TRP A 56 -5.187 10.363 8.793 1.00 0.00 C ATOM 840 O TRP A 56 -6.220 9.770 9.104 1.00 0.00 O ATOM 841 CB TRP A 56 -3.472 8.700 8.054 1.00 0.00 C ATOM 842 CG TRP A 56 -4.256 7.604 8.710 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.564 7.498 10.036 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.829 6.459 8.070 1.00 0.00 C ATOM 845 NE1 TRP A 56 -5.294 6.355 10.259 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.471 5.701 9.069 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.865 6.001 6.750 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -6.138 4.512 8.788 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.527 4.820 6.473 1.00 0.00 C ATOM 850 CH2 TRP A 56 -6.157 4.087 7.487 1.00 0.00 C ATOM 0 H TRP A 56 -2.490 10.796 7.204 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.998 9.574 6.818 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.959 8.297 7.181 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.703 9.049 8.743 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.276 8.208 10.797 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.647 6.044 11.164 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.384 6.560 5.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.623 3.945 9.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.559 4.456 5.457 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.668 3.169 7.237 1.00 0.00 H new ATOM 861 N LYS A 57 -4.750 11.439 9.440 1.00 0.00 N ATOM 862 CA LYS A 57 -5.474 11.996 10.576 1.00 0.00 C ATOM 863 C LYS A 57 -6.617 12.891 10.107 1.00 0.00 C ATOM 864 O LYS A 57 -7.661 12.972 10.753 1.00 0.00 O ATOM 865 CB LYS A 57 -4.523 12.793 11.473 1.00 0.00 C ATOM 866 CG LYS A 57 -3.450 11.941 12.129 1.00 0.00 C ATOM 867 CD LYS A 57 -2.268 12.784 12.580 1.00 0.00 C ATOM 868 CE LYS A 57 -0.958 12.024 12.444 1.00 0.00 C ATOM 869 NZ LYS A 57 -0.713 11.128 13.607 1.00 0.00 N ATOM 0 H LYS A 57 -3.897 11.943 9.196 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.895 11.169 11.148 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.044 13.572 10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.102 13.294 12.249 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.873 11.418 12.986 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.109 11.180 11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.223 13.697 11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.409 13.085 13.618 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.974 11.434 11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.135 12.733 12.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.190 10.628 13.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.672 11.694 14.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.485 10.435 13.680 1.00 0.00 H new ATOM 883 N LYS A 58 -6.412 13.561 8.978 1.00 0.00 N ATOM 884 CA LYS A 58 -7.426 14.448 8.420 1.00 0.00 C ATOM 885 C LYS A 58 -8.602 13.650 7.866 1.00 0.00 C ATOM 886 O LYS A 58 -9.759 14.032 8.040 1.00 0.00 O ATOM 887 CB LYS A 58 -6.820 15.317 7.315 1.00 0.00 C ATOM 888 CG LYS A 58 -6.827 16.801 7.636 1.00 0.00 C ATOM 889 CD LYS A 58 -8.240 17.323 7.831 1.00 0.00 C ATOM 890 CE LYS A 58 -8.242 18.790 8.232 1.00 0.00 C ATOM 891 NZ LYS A 58 -7.786 19.670 7.120 1.00 0.00 N ATOM 0 H LYS A 58 -5.553 13.507 8.431 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.791 15.091 9.221 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.794 14.998 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.372 15.151 6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.244 16.982 8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.343 17.351 6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.806 17.196 6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.744 16.734 8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.247 19.082 8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.593 18.931 9.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.882 20.666 7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.790 19.466 6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.368 19.493 6.276 1.00 0.00 H new ATOM 905 N MET A 59 -8.298 12.540 7.201 1.00 0.00 N ATOM 906 CA MET A 59 -9.331 11.688 6.625 1.00 0.00 C ATOM 907 C MET A 59 -10.368 11.304 7.676 1.00 0.00 C ATOM 908 O MET A 59 -10.126 11.431 8.877 1.00 0.00 O ATOM 909 CB MET A 59 -8.706 10.427 6.024 1.00 0.00 C ATOM 910 CG MET A 59 -8.205 10.616 4.602 1.00 0.00 C ATOM 911 SD MET A 59 -7.789 9.056 3.799 1.00 0.00 S ATOM 912 CE MET A 59 -6.663 8.348 4.999 1.00 0.00 C ATOM 0 H MET A 59 -7.345 12.210 7.048 1.00 0.00 H new ATOM 0 HA MET A 59 -9.831 12.249 5.835 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.876 10.107 6.654 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.443 9.624 6.037 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.968 11.129 4.017 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.326 11.260 4.613 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.442 7.316 4.726 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.738 8.925 5.015 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.122 8.371 5.987 1.00 0.00 H new ATOM 922 N LYS A 60 -11.523 10.834 7.217 1.00 0.00 N ATOM 923 CA LYS A 60 -12.597 10.431 8.117 1.00 0.00 C ATOM 924 C LYS A 60 -12.572 8.924 8.352 1.00 0.00 C ATOM 925 O LYS A 60 -11.788 8.203 7.737 1.00 0.00 O ATOM 926 CB LYS A 60 -13.954 10.846 7.544 1.00 0.00 C ATOM 927 CG LYS A 60 -14.052 12.329 7.227 1.00 0.00 C ATOM 928 CD LYS A 60 -15.351 12.924 7.743 1.00 0.00 C ATOM 929 CE LYS A 60 -15.131 13.720 9.021 1.00 0.00 C ATOM 930 NZ LYS A 60 -16.318 13.667 9.918 1.00 0.00 N ATOM 0 H LYS A 60 -11.739 10.723 6.226 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.444 10.933 9.072 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.145 10.275 6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.736 10.583 8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.208 12.854 7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.986 12.477 6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.784 13.571 6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.069 12.126 7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.260 13.329 9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.912 14.758 8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.129 14.221 10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.144 14.064 9.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.512 12.679 10.179 1.00 0.00 H new ATOM 944 N ASN A 61 -13.438 8.455 9.245 1.00 0.00 N ATOM 945 CA ASN A 61 -13.516 7.033 9.560 1.00 0.00 C ATOM 946 C ASN A 61 -13.840 6.216 8.313 1.00 0.00 C ATOM 947 O ASN A 61 -13.347 5.102 8.144 1.00 0.00 O ATOM 948 CB ASN A 61 -14.575 6.785 10.636 1.00 0.00 C ATOM 949 CG ASN A 61 -14.022 6.942 12.039 1.00 0.00 C ATOM 950 OD1 ASN A 61 -13.045 6.291 12.411 1.00 0.00 O ATOM 951 ND2 ASN A 61 -14.646 7.810 12.827 1.00 0.00 N ATOM 0 H ASN A 61 -14.095 9.039 9.763 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.544 6.716 9.937 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.402 7.480 10.495 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.980 5.780 10.518 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.319 7.958 13.782 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.452 8.328 12.477 1.00 0.00 H new ATOM 958 N GLU A 62 -14.672 6.780 7.443 1.00 0.00 N ATOM 959 CA GLU A 62 -15.063 6.103 6.212 1.00 0.00 C ATOM 960 C GLU A 62 -13.931 6.140 5.189 1.00 0.00 C ATOM 961 O GLU A 62 -13.691 5.165 4.478 1.00 0.00 O ATOM 962 CB GLU A 62 -16.318 6.751 5.624 1.00 0.00 C ATOM 963 CG GLU A 62 -16.138 8.218 5.271 1.00 0.00 C ATOM 964 CD GLU A 62 -17.421 8.863 4.785 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.505 8.445 5.243 1.00 0.00 O ATOM 966 OE2 GLU A 62 -17.342 9.786 3.947 1.00 0.00 O ATOM 0 H GLU A 62 -15.088 7.703 7.568 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.279 5.062 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.613 6.204 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.135 6.656 6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.774 8.756 6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.374 8.311 4.499 1.00 0.00 H new ATOM 973 N GLU A 63 -13.239 7.274 5.121 1.00 0.00 N ATOM 974 CA GLU A 63 -12.134 7.438 4.184 1.00 0.00 C ATOM 975 C GLU A 63 -11.025 6.429 4.468 1.00 0.00 C ATOM 976 O GLU A 63 -10.240 6.089 3.583 1.00 0.00 O ATOM 977 CB GLU A 63 -11.577 8.861 4.263 1.00 0.00 C ATOM 978 CG GLU A 63 -12.594 9.934 3.913 1.00 0.00 C ATOM 979 CD GLU A 63 -12.709 10.163 2.418 1.00 0.00 C ATOM 980 OE1 GLU A 63 -13.162 9.239 1.710 1.00 0.00 O ATOM 981 OE2 GLU A 63 -12.347 11.265 1.957 1.00 0.00 O ATOM 0 H GLU A 63 -13.424 8.091 5.703 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.514 7.259 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.205 9.041 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.725 8.946 3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.569 9.649 4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.313 10.868 4.399 1.00 0.00 H new ATOM 988 N ARG A 64 -10.969 5.955 5.708 1.00 0.00 N ATOM 989 CA ARG A 64 -9.956 4.986 6.110 1.00 0.00 C ATOM 990 C ARG A 64 -10.486 3.561 5.984 1.00 0.00 C ATOM 991 O ARG A 64 -9.715 2.612 5.843 1.00 0.00 O ATOM 992 CB ARG A 64 -9.510 5.250 7.549 1.00 0.00 C ATOM 993 CG ARG A 64 -8.930 6.639 7.762 1.00 0.00 C ATOM 994 CD ARG A 64 -8.816 6.975 9.241 1.00 0.00 C ATOM 995 NE ARG A 64 -8.661 8.410 9.466 1.00 0.00 N ATOM 996 CZ ARG A 64 -8.566 8.958 10.672 1.00 0.00 C ATOM 997 NH1 ARG A 64 -8.608 8.195 11.756 1.00 0.00 N ATOM 998 NH2 ARG A 64 -8.426 10.272 10.796 1.00 0.00 N ATOM 0 H ARG A 64 -11.613 6.226 6.452 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.099 5.097 5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.362 5.115 8.215 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.764 4.507 7.831 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.946 6.699 7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.561 7.378 7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.705 6.620 9.763 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.963 6.447 9.668 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.624 9.024 8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.713 7.185 11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.535 8.619 12.681 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.391 10.862 9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.353 10.692 11.723 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.806 3.420 6.037 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.439 2.111 5.930 1.00 0.00 C ATOM 1014 C ARG A 65 -11.941 1.364 4.696 1.00 0.00 C ATOM 1015 O ARG A 65 -11.732 0.152 4.734 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.961 2.259 5.870 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.713 1.052 6.406 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.217 1.267 6.359 1.00 0.00 C ATOM 1019 NE ARG A 65 -16.953 0.008 6.438 1.00 0.00 N ATOM 1020 CZ ARG A 65 -17.139 -0.801 5.401 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -16.646 -0.484 4.212 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -17.820 -1.930 5.553 1.00 0.00 N ATOM 0 H ARG A 65 -12.458 4.196 6.153 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.172 1.534 6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.254 3.141 6.439 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.260 2.433 4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.452 0.170 5.821 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.404 0.856 7.433 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.517 1.914 7.183 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.481 1.784 5.436 1.00 0.00 H new ATOM 0 HE ARG A 65 -17.346 -0.265 7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -16.122 0.383 4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.790 -1.107 3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.201 -2.177 6.466 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -17.963 -2.551 4.756 1.00 0.00 H new ATOM 1036 N MET A 66 -11.753 2.097 3.603 1.00 0.00 N ATOM 1037 CA MET A 66 -11.279 1.505 2.358 1.00 0.00 C ATOM 1038 C MET A 66 -10.011 0.690 2.592 1.00 0.00 C ATOM 1039 O MET A 66 -9.770 -0.309 1.914 1.00 0.00 O ATOM 1040 CB MET A 66 -11.014 2.595 1.318 1.00 0.00 C ATOM 1041 CG MET A 66 -9.975 3.614 1.757 1.00 0.00 C ATOM 1042 SD MET A 66 -9.919 5.058 0.679 1.00 0.00 S ATOM 1043 CE MET A 66 -11.566 5.722 0.915 1.00 0.00 C ATOM 0 H MET A 66 -11.922 3.102 3.555 1.00 0.00 H new ATOM 0 HA MET A 66 -12.055 0.837 1.984 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.684 2.128 0.390 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.948 3.112 1.099 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.194 3.934 2.776 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.993 3.141 1.775 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.518 6.810 0.949 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.205 5.412 0.088 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.978 5.348 1.852 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.204 1.123 3.554 1.00 0.00 N ATOM 1054 CA TYR A 67 -7.960 0.435 3.876 1.00 0.00 C ATOM 1055 C TYR A 67 -8.156 -0.530 5.041 1.00 0.00 C ATOM 1056 O TYR A 67 -7.585 -1.622 5.063 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.866 1.448 4.216 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.780 2.598 3.239 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.222 2.424 1.978 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.256 3.859 3.575 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -6.140 3.472 1.082 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -7.180 4.913 2.685 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.621 4.714 1.440 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.543 5.761 0.550 1.00 0.00 O ATOM 0 H TYR A 67 -9.389 1.948 4.125 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.655 -0.139 3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.047 1.844 5.215 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.905 0.935 4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.846 1.452 1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.693 4.018 4.550 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.702 3.320 0.107 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.556 5.887 2.962 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.440 5.975 0.217 1.00 0.00 H new ATOM 1074 N THR A 68 -8.968 -0.120 6.010 1.00 0.00 N ATOM 1075 CA THR A 68 -9.240 -0.946 7.180 1.00 0.00 C ATOM 1076 C THR A 68 -9.753 -2.323 6.773 1.00 0.00 C ATOM 1077 O THR A 68 -9.122 -3.341 7.059 1.00 0.00 O ATOM 1078 CB THR A 68 -10.272 -0.280 8.110 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.225 1.143 7.955 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.008 -0.647 9.562 1.00 0.00 C ATOM 0 H THR A 68 -9.449 0.779 6.008 1.00 0.00 H new ATOM 0 HA THR A 68 -8.297 -1.056 7.716 1.00 0.00 H new ATOM 0 HB THR A 68 -11.263 -0.642 7.835 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.885 1.559 8.548 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.749 -0.165 10.200 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.074 -1.728 9.682 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.011 -0.311 9.847 1.00 0.00 H new ATOM 1088 N LEU A 69 -10.900 -2.348 6.104 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.498 -3.601 5.657 1.00 0.00 C ATOM 1090 C LEU A 69 -10.588 -4.314 4.663 1.00 0.00 C ATOM 1091 O LEU A 69 -10.353 -5.517 4.775 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.863 -3.338 5.018 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.055 -3.294 5.975 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -14.305 -4.667 6.579 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -13.823 -2.262 7.069 1.00 0.00 C ATOM 0 H LEU A 69 -11.435 -1.515 5.859 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.629 -4.244 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.815 -2.388 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.049 -4.112 4.274 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.940 -3.002 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.157 -4.616 7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.517 -5.381 5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.421 -4.989 7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.681 -2.244 7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.927 -2.524 7.632 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.694 -1.278 6.619 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.076 -3.564 3.692 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.190 -4.125 2.680 1.00 0.00 C ATOM 1109 C GLU A 70 -8.040 -4.892 3.327 1.00 0.00 C ATOM 1110 O GLU A 70 -7.863 -6.085 3.087 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.637 -3.016 1.782 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.651 -3.513 0.738 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.234 -4.602 -0.142 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.443 -4.534 -0.446 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -7.481 -5.521 -0.527 1.00 0.00 O ATOM 0 H GLU A 70 -10.260 -2.566 3.585 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.770 -4.819 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.467 -2.520 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.148 -2.267 2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.336 -2.677 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.759 -3.893 1.237 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.262 -4.196 4.150 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.131 -4.810 4.833 1.00 0.00 C ATOM 1124 C ALA A 71 -6.566 -6.043 5.617 1.00 0.00 C ATOM 1125 O ALA A 71 -5.842 -7.036 5.685 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.463 -3.803 5.759 1.00 0.00 C ATOM 0 H ALA A 71 -7.395 -3.207 4.359 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.412 -5.127 4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.620 -4.276 6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.108 -2.953 5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.183 -3.459 6.502 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.754 -5.973 6.209 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.287 -7.084 6.988 1.00 0.00 C ATOM 1134 C LYS A 72 -8.475 -8.321 6.115 1.00 0.00 C ATOM 1135 O LYS A 72 -7.927 -9.384 6.402 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.621 -6.692 7.628 1.00 0.00 C ATOM 1137 CG LYS A 72 -9.987 -7.534 8.838 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.149 -6.929 9.607 1.00 0.00 C ATOM 1139 CE LYS A 72 -10.675 -5.879 10.600 1.00 0.00 C ATOM 1140 NZ LYS A 72 -10.002 -6.493 11.778 1.00 0.00 N ATOM 0 H LYS A 72 -8.366 -5.158 6.164 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.569 -7.321 7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.578 -5.644 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.411 -6.780 6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.248 -8.542 8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.122 -7.624 9.495 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.854 -6.478 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.685 -7.716 10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.986 -5.195 10.104 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.526 -5.287 10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.922 -5.788 12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.561 -7.303 12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.052 -6.817 11.505 1.00 0.00 H new