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= -0.0884 K(o=-0.088,f=-0.81) 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+ -164:sc= -0.0766 (180deg=-0.395) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -30:sc= -0.399 USER MOD Single : A 37 THR OG1 : rot 59:sc= 0.323 USER MOD Single : A 38 GLN : amide:sc= -0.169 X(o=-0.17,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+ 151:sc= 1.04 (180deg=0.26) USER MOD Single : A 45 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.056) 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+ 177:sc= 0.754 (180deg=0.743) USER MOD Single : A 59 MET CE :methyl 180:sc= -1.07 (180deg=-1.07) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0517 K(o=-0.052,f=-1.9!) USER MOD Single : A 66 MET CE :methyl 147:sc= -0.853 (180deg=-5.3!) USER MOD Single : A 67 TYR OH : rot -99:sc= 0.297 USER MOD Single : A 68 THR OG1 : rot 177:sc= -0.967 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -1.029 -4.190 6.917 1.00 0.00 N ATOM 288 CA ASN A 23 -1.900 -3.304 7.680 1.00 0.00 C ATOM 289 C ASN A 23 -2.527 -2.247 6.776 1.00 0.00 C ATOM 290 O ASN A 23 -2.001 -1.939 5.707 1.00 0.00 O ATOM 291 CB ASN A 23 -1.116 -2.629 8.806 1.00 0.00 C ATOM 292 CG ASN A 23 -0.159 -3.582 9.497 1.00 0.00 C ATOM 293 OD1 ASN A 23 -0.403 -4.787 9.559 1.00 0.00 O ATOM 294 ND2 ASN A 23 0.937 -3.044 10.020 1.00 0.00 N ATOM 0 HA ASN A 23 -2.699 -3.906 8.114 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.556 -1.787 8.400 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.814 -2.224 9.539 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.618 -3.635 10.497 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.098 -2.040 9.945 1.00 0.00 H new ATOM 301 N ALA A 24 -3.653 -1.693 7.214 1.00 0.00 N ATOM 302 CA ALA A 24 -4.349 -0.668 6.447 1.00 0.00 C ATOM 303 C ALA A 24 -3.416 0.486 6.099 1.00 0.00 C ATOM 304 O ALA A 24 -3.358 0.926 4.951 1.00 0.00 O ATOM 305 CB ALA A 24 -5.557 -0.159 7.220 1.00 0.00 C ATOM 0 H ALA A 24 -4.102 -1.937 8.096 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.691 -1.117 5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.067 0.606 6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.241 -0.986 7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.229 0.268 8.168 1.00 0.00 H new ATOM 311 N PHE A 25 -2.688 0.974 7.098 1.00 0.00 N ATOM 312 CA PHE A 25 -1.758 2.079 6.898 1.00 0.00 C ATOM 313 C PHE A 25 -0.812 1.791 5.736 1.00 0.00 C ATOM 314 O PHE A 25 -0.532 2.666 4.918 1.00 0.00 O ATOM 315 CB PHE A 25 -0.954 2.334 8.174 1.00 0.00 C ATOM 316 CG PHE A 25 0.030 3.462 8.047 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.407 4.763 7.860 1.00 0.00 C ATOM 318 CD2 PHE A 25 1.393 3.221 8.115 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.495 5.803 7.743 1.00 0.00 C ATOM 320 CE2 PHE A 25 2.300 4.257 8.000 1.00 0.00 C ATOM 321 CZ PHE A 25 1.851 5.549 7.812 1.00 0.00 C ATOM 0 H PHE A 25 -2.724 0.621 8.054 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.338 2.970 6.658 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.643 2.553 8.990 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.418 1.424 8.445 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.466 4.967 7.805 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.750 2.212 8.260 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.140 6.813 7.598 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.360 4.056 8.057 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.559 6.360 7.719 1.00 0.00 H new ATOM 331 N MET A 26 -0.323 0.557 5.672 1.00 0.00 N ATOM 332 CA MET A 26 0.591 0.152 4.610 1.00 0.00 C ATOM 333 C MET A 26 0.017 0.495 3.239 1.00 0.00 C ATOM 334 O MET A 26 0.707 1.061 2.390 1.00 0.00 O ATOM 335 CB MET A 26 0.875 -1.349 4.697 1.00 0.00 C ATOM 336 CG MET A 26 1.402 -1.790 6.052 1.00 0.00 C ATOM 337 SD MET A 26 2.458 -3.248 5.946 1.00 0.00 S ATOM 338 CE MET A 26 3.612 -2.929 7.278 1.00 0.00 C ATOM 0 H MET A 26 -0.544 -0.179 6.342 1.00 0.00 H new ATOM 0 HA MET A 26 1.525 0.699 4.740 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.041 -1.897 4.477 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.600 -1.618 3.929 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.963 -0.972 6.503 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.562 -2.002 6.713 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.331 -3.746 7.340 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.139 -1.994 7.087 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.069 -2.853 8.220 1.00 0.00 H new ATOM 348 N LEU A 27 -1.247 0.147 3.028 1.00 0.00 N ATOM 349 CA LEU A 27 -1.914 0.418 1.759 1.00 0.00 C ATOM 350 C LEU A 27 -1.958 1.916 1.475 1.00 0.00 C ATOM 351 O LEU A 27 -1.901 2.342 0.322 1.00 0.00 O ATOM 352 CB LEU A 27 -3.334 -0.151 1.775 1.00 0.00 C ATOM 353 CG LEU A 27 -3.763 -0.920 0.524 1.00 0.00 C ATOM 354 CD1 LEU A 27 -3.048 -2.260 0.450 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.272 -1.116 0.510 1.00 0.00 C ATOM 0 H LEU A 27 -1.831 -0.324 3.719 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.343 -0.066 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.429 -0.814 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.032 0.672 1.929 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.485 -0.335 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.366 -2.793 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.971 -2.096 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.294 -2.853 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.559 -1.665 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.574 -1.680 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.765 -0.144 0.514 1.00 0.00 H new ATOM 367 N PHE A 28 -2.056 2.711 2.536 1.00 0.00 N ATOM 368 CA PHE A 28 -2.106 4.162 2.401 1.00 0.00 C ATOM 369 C PHE A 28 -0.728 4.725 2.063 1.00 0.00 C ATOM 370 O PHE A 28 -0.539 5.348 1.019 1.00 0.00 O ATOM 371 CB PHE A 28 -2.627 4.798 3.692 1.00 0.00 C ATOM 372 CG PHE A 28 -2.433 6.286 3.747 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.272 6.828 4.276 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.411 7.144 3.271 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.092 8.197 4.329 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.236 8.514 3.321 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.074 9.041 3.850 1.00 0.00 C ATOM 0 H PHE A 28 -2.102 2.375 3.498 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.787 4.403 1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.689 4.574 3.795 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.121 4.342 4.543 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.499 6.173 4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.321 6.737 2.856 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.183 8.607 4.745 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.007 9.172 2.947 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.934 10.111 3.889 1.00 0.00 H new ATOM 387 N ALA A 29 0.231 4.500 2.956 1.00 0.00 N ATOM 388 CA ALA A 29 1.591 4.982 2.753 1.00 0.00 C ATOM 389 C ALA A 29 2.152 4.500 1.419 1.00 0.00 C ATOM 390 O ALA A 29 2.998 5.159 0.814 1.00 0.00 O ATOM 391 CB ALA A 29 2.487 4.532 3.897 1.00 0.00 C ATOM 0 H ALA A 29 0.091 3.987 3.826 1.00 0.00 H new ATOM 0 HA ALA A 29 1.564 6.071 2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.500 4.899 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.105 4.931 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.499 3.443 3.943 1.00 0.00 H new ATOM 397 N LYS A 30 1.675 3.346 0.965 1.00 0.00 N ATOM 398 CA LYS A 30 2.127 2.774 -0.298 1.00 0.00 C ATOM 399 C LYS A 30 1.426 3.439 -1.478 1.00 0.00 C ATOM 400 O LYS A 30 2.075 3.982 -2.373 1.00 0.00 O ATOM 401 CB LYS A 30 1.868 1.266 -0.321 1.00 0.00 C ATOM 402 CG LYS A 30 2.308 0.593 -1.609 1.00 0.00 C ATOM 403 CD LYS A 30 2.397 -0.916 -1.448 1.00 0.00 C ATOM 404 CE LYS A 30 2.161 -1.632 -2.768 1.00 0.00 C ATOM 405 NZ LYS A 30 2.749 -3.000 -2.770 1.00 0.00 N ATOM 0 H LYS A 30 0.975 2.788 1.453 1.00 0.00 H new ATOM 0 HA LYS A 30 3.199 2.953 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.389 0.804 0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.803 1.086 -0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.604 0.834 -2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.279 0.985 -1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.379 -1.184 -1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.661 -1.249 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.090 -1.697 -2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.595 -1.049 -3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.567 -3.455 -3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.775 -2.937 -2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.316 -3.565 -2.011 1.00 0.00 H new ATOM 419 N LYS A 31 0.099 3.395 -1.473 1.00 0.00 N ATOM 420 CA LYS A 31 -0.691 3.995 -2.541 1.00 0.00 C ATOM 421 C LYS A 31 -0.388 5.485 -2.671 1.00 0.00 C ATOM 422 O LYS A 31 -0.521 6.063 -3.750 1.00 0.00 O ATOM 423 CB LYS A 31 -2.185 3.789 -2.277 1.00 0.00 C ATOM 424 CG LYS A 31 -3.082 4.476 -3.292 1.00 0.00 C ATOM 425 CD LYS A 31 -4.551 4.211 -3.007 1.00 0.00 C ATOM 426 CE LYS A 31 -4.889 2.735 -3.148 1.00 0.00 C ATOM 427 NZ LYS A 31 -4.542 2.213 -4.499 1.00 0.00 N ATOM 0 H LYS A 31 -0.453 2.949 -0.740 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.423 3.504 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.402 2.721 -2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.424 4.162 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.895 5.550 -3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.835 4.124 -4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.793 4.546 -1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.166 4.793 -3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.352 2.165 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.953 2.587 -2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.022 1.303 -4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.848 2.894 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.513 2.077 -4.565 1.00 0.00 H new ATOM 441 N TYR A 32 0.020 6.099 -1.566 1.00 0.00 N ATOM 442 CA TYR A 32 0.341 7.521 -1.557 1.00 0.00 C ATOM 443 C TYR A 32 1.851 7.739 -1.520 1.00 0.00 C ATOM 444 O TYR A 32 2.323 8.861 -1.341 1.00 0.00 O ATOM 445 CB TYR A 32 -0.313 8.205 -0.355 1.00 0.00 C ATOM 446 CG TYR A 32 -1.792 8.463 -0.536 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.678 7.415 -0.757 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.304 9.754 -0.486 1.00 0.00 C ATOM 449 CE1 TYR A 32 -4.030 7.646 -0.924 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.654 9.994 -0.650 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.513 8.937 -0.869 1.00 0.00 C ATOM 452 OH TYR A 32 -5.859 9.171 -1.033 1.00 0.00 O ATOM 0 H TYR A 32 0.136 5.634 -0.665 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.049 7.961 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.166 7.585 0.529 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.192 9.152 -0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.303 6.403 -0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.634 10.584 -0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.705 6.821 -1.097 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.035 11.004 -0.607 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.034 10.133 -0.965 1.00 0.00 H new ATOM 462 N ARG A 33 2.602 6.656 -1.691 1.00 0.00 N ATOM 463 CA ARG A 33 4.058 6.727 -1.677 1.00 0.00 C ATOM 464 C ARG A 33 4.570 7.627 -2.798 1.00 0.00 C ATOM 465 O ARG A 33 5.076 8.721 -2.547 1.00 0.00 O ATOM 466 CB ARG A 33 4.659 5.327 -1.819 1.00 0.00 C ATOM 467 CG ARG A 33 6.168 5.291 -1.639 1.00 0.00 C ATOM 468 CD ARG A 33 6.581 4.256 -0.603 1.00 0.00 C ATOM 469 NE ARG A 33 6.081 2.924 -0.932 1.00 0.00 N ATOM 470 CZ ARG A 33 6.632 2.138 -1.850 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.695 2.549 -2.528 1.00 0.00 N ATOM 472 NH2 ARG A 33 6.119 0.938 -2.092 1.00 0.00 N ATOM 0 H ARG A 33 2.226 5.720 -1.841 1.00 0.00 H new ATOM 0 HA ARG A 33 4.366 7.153 -0.722 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.198 4.667 -1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.409 4.932 -2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.644 5.063 -2.593 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.523 6.275 -1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.668 4.228 -0.532 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.205 4.553 0.376 1.00 0.00 H new ATOM 0 HE ARG A 33 5.264 2.578 -0.429 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.092 3.471 -2.345 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.116 1.943 -3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.301 0.619 -1.573 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.543 0.335 -2.797 1.00 0.00 H new ATOM 486 N VAL A 34 4.434 7.159 -4.035 1.00 0.00 N ATOM 487 CA VAL A 34 4.882 7.922 -5.194 1.00 0.00 C ATOM 488 C VAL A 34 4.182 9.274 -5.265 1.00 0.00 C ATOM 489 O VAL A 34 4.739 10.245 -5.777 1.00 0.00 O ATOM 490 CB VAL A 34 4.625 7.154 -6.504 1.00 0.00 C ATOM 491 CG1 VAL A 34 3.131 7.017 -6.759 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.312 7.847 -7.671 1.00 0.00 C ATOM 0 H VAL A 34 4.017 6.256 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 34 5.955 8.077 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 34 5.046 6.153 -6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.969 6.472 -7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.670 6.474 -5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.683 8.008 -6.837 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.120 7.291 -8.589 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.923 8.860 -7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.386 7.887 -7.489 1.00 0.00 H new ATOM 502 N GLU A 35 2.959 9.330 -4.747 1.00 0.00 N ATOM 503 CA GLU A 35 2.184 10.565 -4.752 1.00 0.00 C ATOM 504 C GLU A 35 2.962 11.699 -4.091 1.00 0.00 C ATOM 505 O GLU A 35 2.887 12.851 -4.520 1.00 0.00 O ATOM 506 CB GLU A 35 0.850 10.359 -4.032 1.00 0.00 C ATOM 507 CG GLU A 35 -0.038 9.312 -4.683 1.00 0.00 C ATOM 508 CD GLU A 35 -0.059 9.424 -6.196 1.00 0.00 C ATOM 509 OE1 GLU A 35 -0.328 10.532 -6.705 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.194 8.403 -6.870 1.00 0.00 O ATOM 0 H GLU A 35 2.484 8.535 -4.319 1.00 0.00 H new ATOM 0 HA GLU A 35 1.990 10.838 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.045 10.067 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.314 11.308 -3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.311 8.319 -4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.054 9.414 -4.301 1.00 0.00 H new ATOM 517 N TYR A 36 3.707 11.364 -3.044 1.00 0.00 N ATOM 518 CA TYR A 36 4.497 12.354 -2.320 1.00 0.00 C ATOM 519 C TYR A 36 5.932 12.389 -2.837 1.00 0.00 C ATOM 520 O TYR A 36 6.616 13.409 -2.739 1.00 0.00 O ATOM 521 CB TYR A 36 4.490 12.046 -0.822 1.00 0.00 C ATOM 522 CG TYR A 36 3.213 12.459 -0.125 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.985 11.941 -0.518 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.234 13.367 0.927 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.816 12.316 0.115 1.00 0.00 C ATOM 526 CE2 TYR A 36 2.070 13.746 1.567 1.00 0.00 C ATOM 527 CZ TYR A 36 0.864 13.219 1.157 1.00 0.00 C ATOM 528 OH TYR A 36 -0.299 13.593 1.791 1.00 0.00 O ATOM 0 H TYR A 36 3.781 10.415 -2.677 1.00 0.00 H new ATOM 0 HA TYR A 36 4.047 13.333 -2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.643 10.976 -0.679 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.332 12.554 -0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.944 11.233 -1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.177 13.784 1.250 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.130 11.905 -0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.105 14.451 2.384 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.045 13.552 1.157 1.00 0.00 H new ATOM 538 N THR A 37 6.383 11.267 -3.388 1.00 0.00 N ATOM 539 CA THR A 37 7.736 11.167 -3.921 1.00 0.00 C ATOM 540 C THR A 37 7.961 12.174 -5.043 1.00 0.00 C ATOM 541 O THR A 37 9.081 12.638 -5.256 1.00 0.00 O ATOM 542 CB THR A 37 8.029 9.751 -4.450 1.00 0.00 C ATOM 543 OG1 THR A 37 7.600 8.773 -3.497 1.00 0.00 O ATOM 544 CG2 THR A 37 9.513 9.574 -4.733 1.00 0.00 C ATOM 0 H THR A 37 5.831 10.414 -3.477 1.00 0.00 H new ATOM 0 HA THR A 37 8.416 11.386 -3.098 1.00 0.00 H new ATOM 0 HB THR A 37 7.480 9.615 -5.382 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.641 8.882 -3.325 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.695 8.566 -5.106 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.830 10.300 -5.482 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.080 9.729 -3.815 1.00 0.00 H new ATOM 552 N GLN A 38 6.891 12.507 -5.757 1.00 0.00 N ATOM 553 CA GLN A 38 6.973 13.459 -6.858 1.00 0.00 C ATOM 554 C GLN A 38 6.517 14.845 -6.414 1.00 0.00 C ATOM 555 O GLN A 38 6.979 15.858 -6.937 1.00 0.00 O ATOM 556 CB GLN A 38 6.123 12.983 -8.037 1.00 0.00 C ATOM 557 CG GLN A 38 6.423 11.556 -8.466 1.00 0.00 C ATOM 558 CD GLN A 38 5.653 11.145 -9.705 1.00 0.00 C ATOM 559 OE1 GLN A 38 6.225 10.613 -10.658 1.00 0.00 O ATOM 560 NE2 GLN A 38 4.348 11.389 -9.700 1.00 0.00 N ATOM 0 H GLN A 38 5.957 12.132 -5.593 1.00 0.00 H new ATOM 0 HA GLN A 38 8.015 13.522 -7.173 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.069 13.059 -7.769 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.285 13.650 -8.884 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.491 11.455 -8.657 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.179 10.876 -7.649 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.915 11.832 -8.889 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.778 11.134 -10.507 1.00 0.00 H new ATOM 569 N MET A 39 5.607 14.881 -5.446 1.00 0.00 N ATOM 570 CA MET A 39 5.089 16.143 -4.931 1.00 0.00 C ATOM 571 C MET A 39 6.132 16.848 -4.068 1.00 0.00 C ATOM 572 O MET A 39 6.174 18.077 -4.008 1.00 0.00 O ATOM 573 CB MET A 39 3.815 15.903 -4.118 1.00 0.00 C ATOM 574 CG MET A 39 2.543 15.973 -4.947 1.00 0.00 C ATOM 575 SD MET A 39 1.121 16.533 -3.990 1.00 0.00 S ATOM 576 CE MET A 39 0.715 15.043 -3.083 1.00 0.00 C ATOM 0 H MET A 39 5.213 14.051 -5.003 1.00 0.00 H new ATOM 0 HA MET A 39 4.853 16.784 -5.781 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.876 14.924 -3.643 1.00 0.00 H new ATOM 0 HB3 MET A 39 3.759 16.642 -3.319 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.699 16.648 -5.788 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.331 14.988 -5.364 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.148 15.230 -2.444 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.480 14.243 -3.785 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.565 14.748 -2.468 1.00 0.00 H new ATOM 586 N TYR A 40 6.971 16.062 -3.403 1.00 0.00 N ATOM 587 CA TYR A 40 8.011 16.611 -2.542 1.00 0.00 C ATOM 588 C TYR A 40 9.368 15.993 -2.866 1.00 0.00 C ATOM 589 O TYR A 40 9.919 15.203 -2.099 1.00 0.00 O ATOM 590 CB TYR A 40 7.666 16.368 -1.071 1.00 0.00 C ATOM 591 CG TYR A 40 6.432 17.109 -0.609 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.166 16.722 -1.032 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.532 18.196 0.250 1.00 0.00 C ATOM 594 CE1 TYR A 40 4.036 17.397 -0.612 1.00 0.00 C ATOM 595 CE2 TYR A 40 5.407 18.876 0.676 1.00 0.00 C ATOM 596 CZ TYR A 40 4.161 18.472 0.242 1.00 0.00 C ATOM 597 OH TYR A 40 3.038 19.147 0.663 1.00 0.00 O ATOM 0 H TYR A 40 6.951 15.043 -3.444 1.00 0.00 H new ATOM 0 HA TYR A 40 8.068 17.684 -2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.519 15.300 -0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.513 16.668 -0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.064 15.880 -1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.506 18.515 0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.060 17.084 -0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.502 19.719 1.345 1.00 0.00 H new ATOM 0 HH TYR A 40 3.300 19.877 1.262 1.00 0.00 H new ATOM 607 N PRO A 41 9.922 16.362 -4.031 1.00 0.00 N ATOM 608 CA PRO A 41 11.222 15.858 -4.484 1.00 0.00 C ATOM 609 C PRO A 41 12.377 16.402 -3.651 1.00 0.00 C ATOM 610 O PRO A 41 13.457 15.815 -3.611 1.00 0.00 O ATOM 611 CB PRO A 41 11.316 16.367 -5.925 1.00 0.00 C ATOM 612 CG PRO A 41 10.442 17.573 -5.959 1.00 0.00 C ATOM 613 CD PRO A 41 9.321 17.300 -4.994 1.00 0.00 C ATOM 0 HA PRO A 41 11.293 14.774 -4.394 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.344 16.615 -6.191 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.977 15.612 -6.634 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.997 18.465 -5.670 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.058 17.748 -6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.979 18.213 -4.506 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.457 16.863 -5.495 1.00 0.00 H new ATOM 621 N GLY A 42 12.141 17.529 -2.985 1.00 0.00 N ATOM 622 CA GLY A 42 13.172 18.133 -2.160 1.00 0.00 C ATOM 623 C GLY A 42 13.262 17.498 -0.787 1.00 0.00 C ATOM 624 O GLY A 42 14.299 17.572 -0.127 1.00 0.00 O ATOM 0 H GLY A 42 11.255 18.034 -3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.135 18.042 -2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.968 19.198 -2.052 1.00 0.00 H new ATOM 628 N LYS A 43 12.173 16.873 -0.353 1.00 0.00 N ATOM 629 CA LYS A 43 12.132 16.222 0.951 1.00 0.00 C ATOM 630 C LYS A 43 12.687 14.804 0.869 1.00 0.00 C ATOM 631 O LYS A 43 12.760 14.217 -0.211 1.00 0.00 O ATOM 632 CB LYS A 43 10.697 16.190 1.482 1.00 0.00 C ATOM 633 CG LYS A 43 10.242 17.508 2.085 1.00 0.00 C ATOM 634 CD LYS A 43 8.980 17.335 2.914 1.00 0.00 C ATOM 635 CE LYS A 43 8.648 18.599 3.693 1.00 0.00 C ATOM 636 NZ LYS A 43 7.792 19.528 2.904 1.00 0.00 N ATOM 0 H LYS A 43 11.306 16.803 -0.886 1.00 0.00 H new ATOM 0 HA LYS A 43 12.754 16.797 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.023 15.921 0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.615 15.407 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.036 17.917 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.060 18.230 1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.146 17.079 2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.109 16.503 3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.137 18.332 4.618 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.571 19.106 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.200 20.088 3.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.395 20.166 2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.183 18.980 2.264 1.00 0.00 H new ATOM 650 N ASP A 44 13.074 14.258 2.017 1.00 0.00 N ATOM 651 CA ASP A 44 13.620 12.907 2.075 1.00 0.00 C ATOM 652 C ASP A 44 12.540 11.901 2.461 1.00 0.00 C ATOM 653 O ASP A 44 11.488 12.273 2.978 1.00 0.00 O ATOM 654 CB ASP A 44 14.775 12.843 3.076 1.00 0.00 C ATOM 655 CG ASP A 44 15.753 13.989 2.905 1.00 0.00 C ATOM 656 OD1 ASP A 44 16.580 13.930 1.971 1.00 0.00 O ATOM 657 OD2 ASP A 44 15.691 14.946 3.705 1.00 0.00 O ATOM 0 H ASP A 44 13.020 14.730 2.920 1.00 0.00 H new ATOM 0 HA ASP A 44 13.994 12.650 1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.375 12.859 4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.303 11.897 2.957 1.00 0.00 H new ATOM 662 N ASN A 45 12.809 10.625 2.203 1.00 0.00 N ATOM 663 CA ASN A 45 11.859 9.565 2.522 1.00 0.00 C ATOM 664 C ASN A 45 11.428 9.642 3.983 1.00 0.00 C ATOM 665 O ASN A 45 10.254 9.454 4.305 1.00 0.00 O ATOM 666 CB ASN A 45 12.476 8.195 2.233 1.00 0.00 C ATOM 667 CG ASN A 45 11.572 7.053 2.654 1.00 0.00 C ATOM 668 OD1 ASN A 45 10.796 6.532 1.852 1.00 0.00 O ATOM 669 ND2 ASN A 45 11.667 6.658 3.918 1.00 0.00 N ATOM 0 H ASN A 45 13.676 10.300 1.775 1.00 0.00 H new ATOM 0 HA ASN A 45 10.978 9.700 1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.688 8.113 1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.429 8.112 2.755 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.083 5.894 4.259 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.324 7.118 4.548 1.00 0.00 H new ATOM 676 N ARG A 46 12.384 9.921 4.863 1.00 0.00 N ATOM 677 CA ARG A 46 12.103 10.023 6.290 1.00 0.00 C ATOM 678 C ARG A 46 11.022 11.066 6.558 1.00 0.00 C ATOM 679 O ARG A 46 10.289 10.976 7.543 1.00 0.00 O ATOM 680 CB ARG A 46 13.376 10.384 7.058 1.00 0.00 C ATOM 681 CG ARG A 46 13.139 10.663 8.533 1.00 0.00 C ATOM 682 CD ARG A 46 14.446 10.917 9.268 1.00 0.00 C ATOM 683 NE ARG A 46 14.878 12.307 9.151 1.00 0.00 N ATOM 684 CZ ARG A 46 14.303 13.313 9.799 1.00 0.00 C ATOM 685 NH1 ARG A 46 13.277 13.085 10.607 1.00 0.00 N ATOM 686 NH2 ARG A 46 14.753 14.551 9.640 1.00 0.00 N ATOM 0 H ARG A 46 13.360 10.080 4.613 1.00 0.00 H new ATOM 0 HA ARG A 46 11.742 9.054 6.634 1.00 0.00 H new ATOM 0 HB2 ARG A 46 14.092 9.568 6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.830 11.262 6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.486 11.529 8.640 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.624 9.816 8.987 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.325 10.662 10.321 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.220 10.262 8.868 1.00 0.00 H new ATOM 0 HE ARG A 46 15.665 12.517 8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.928 12.135 10.732 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.837 13.860 11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.542 14.731 9.019 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.310 15.323 10.139 1.00 0.00 H new ATOM 700 N ALA A 47 10.929 12.055 5.675 1.00 0.00 N ATOM 701 CA ALA A 47 9.937 13.113 5.816 1.00 0.00 C ATOM 702 C ALA A 47 8.615 12.717 5.167 1.00 0.00 C ATOM 703 O ALA A 47 7.544 12.945 5.730 1.00 0.00 O ATOM 704 CB ALA A 47 10.457 14.408 5.208 1.00 0.00 C ATOM 0 H ALA A 47 11.529 12.145 4.855 1.00 0.00 H new ATOM 0 HA ALA A 47 9.758 13.269 6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.706 15.190 5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.372 14.708 5.719 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.666 14.255 4.149 1.00 0.00 H new ATOM 710 N ILE A 48 8.697 12.122 3.982 1.00 0.00 N ATOM 711 CA ILE A 48 7.507 11.693 3.258 1.00 0.00 C ATOM 712 C ILE A 48 6.605 10.838 4.142 1.00 0.00 C ATOM 713 O ILE A 48 5.382 10.981 4.120 1.00 0.00 O ATOM 714 CB ILE A 48 7.874 10.895 1.994 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.764 11.735 1.074 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.615 10.453 1.262 1.00 0.00 C ATOM 717 CD1 ILE A 48 8.082 12.977 0.544 1.00 0.00 C ATOM 0 H ILE A 48 9.576 11.926 3.503 1.00 0.00 H new ATOM 0 HA ILE A 48 6.973 12.597 2.964 1.00 0.00 H new ATOM 0 HB ILE A 48 8.429 10.005 2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.662 12.027 1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.087 11.121 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.891 9.890 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.015 9.822 1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.036 11.330 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.771 13.524 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.199 12.691 -0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.784 13.612 1.378 1.00 0.00 H new ATOM 729 N SER A 49 7.216 9.951 4.919 1.00 0.00 N ATOM 730 CA SER A 49 6.468 9.071 5.810 1.00 0.00 C ATOM 731 C SER A 49 5.816 9.865 6.937 1.00 0.00 C ATOM 732 O SER A 49 4.632 9.694 7.227 1.00 0.00 O ATOM 733 CB SER A 49 7.390 7.998 6.394 1.00 0.00 C ATOM 734 OG SER A 49 6.767 7.322 7.472 1.00 0.00 O ATOM 0 H SER A 49 8.227 9.822 4.950 1.00 0.00 H new ATOM 0 HA SER A 49 5.683 8.588 5.228 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.657 7.282 5.617 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.317 8.458 6.736 1.00 0.00 H new ATOM 0 HG SER A 49 7.376 6.641 7.827 1.00 0.00 H new ATOM 740 N VAL A 50 6.597 10.735 7.568 1.00 0.00 N ATOM 741 CA VAL A 50 6.097 11.558 8.663 1.00 0.00 C ATOM 742 C VAL A 50 4.883 12.372 8.229 1.00 0.00 C ATOM 743 O VAL A 50 3.915 12.509 8.977 1.00 0.00 O ATOM 744 CB VAL A 50 7.183 12.516 9.187 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.633 13.384 10.309 1.00 0.00 C ATOM 746 CG2 VAL A 50 8.402 11.735 9.654 1.00 0.00 C ATOM 0 H VAL A 50 7.579 10.889 7.340 1.00 0.00 H new ATOM 0 HA VAL A 50 5.807 10.877 9.463 1.00 0.00 H new ATOM 0 HB VAL A 50 7.490 13.170 8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.414 14.054 10.667 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.794 13.971 9.937 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.296 12.749 11.129 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.159 12.428 10.021 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.113 11.055 10.455 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.808 11.162 8.821 1.00 0.00 H new ATOM 756 N ILE A 51 4.942 12.909 7.015 1.00 0.00 N ATOM 757 CA ILE A 51 3.847 13.709 6.480 1.00 0.00 C ATOM 758 C ILE A 51 2.671 12.827 6.071 1.00 0.00 C ATOM 759 O ILE A 51 1.519 13.261 6.091 1.00 0.00 O ATOM 760 CB ILE A 51 4.297 14.540 5.264 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.473 15.443 5.644 1.00 0.00 C ATOM 762 CG2 ILE A 51 3.138 15.367 4.729 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.208 16.012 4.451 1.00 0.00 C ATOM 0 H ILE A 51 5.736 12.805 6.383 1.00 0.00 H new ATOM 0 HA ILE A 51 3.533 14.385 7.275 1.00 0.00 H new ATOM 0 HB ILE A 51 4.624 13.859 4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.106 16.264 6.260 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.174 14.875 6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.472 15.949 3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.328 14.704 4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.782 16.042 5.508 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.028 16.642 4.795 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.605 15.197 3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.521 16.608 3.851 1.00 0.00 H new ATOM 775 N LEU A 52 2.970 11.586 5.702 1.00 0.00 N ATOM 776 CA LEU A 52 1.938 10.641 5.290 1.00 0.00 C ATOM 777 C LEU A 52 1.073 10.228 6.477 1.00 0.00 C ATOM 778 O LEU A 52 -0.154 10.215 6.388 1.00 0.00 O ATOM 779 CB LEU A 52 2.576 9.404 4.655 1.00 0.00 C ATOM 780 CG LEU A 52 2.876 9.497 3.159 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.656 8.278 2.694 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.586 9.642 2.364 1.00 0.00 C ATOM 0 H LEU A 52 3.918 11.211 5.680 1.00 0.00 H new ATOM 0 HA LEU A 52 1.302 11.133 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.507 9.191 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.915 8.553 4.820 1.00 0.00 H new ATOM 0 HG LEU A 52 3.488 10.382 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.860 8.362 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.597 8.218 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.070 7.378 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.819 9.707 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.949 8.776 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.065 10.547 2.677 1.00 0.00 H new ATOM 794 N GLY A 53 1.721 9.894 7.588 1.00 0.00 N ATOM 795 CA GLY A 53 0.995 9.488 8.777 1.00 0.00 C ATOM 796 C GLY A 53 -0.029 10.518 9.211 1.00 0.00 C ATOM 797 O GLY A 53 -1.176 10.179 9.501 1.00 0.00 O ATOM 0 H GLY A 53 2.736 9.897 7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.493 8.539 8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.701 9.317 9.590 1.00 0.00 H new ATOM 801 N ASP A 54 0.386 11.779 9.258 1.00 0.00 N ATOM 802 CA ASP A 54 -0.503 12.862 9.661 1.00 0.00 C ATOM 803 C ASP A 54 -1.796 12.833 8.852 1.00 0.00 C ATOM 804 O ASP A 54 -2.888 12.962 9.405 1.00 0.00 O ATOM 805 CB ASP A 54 0.192 14.213 9.485 1.00 0.00 C ATOM 806 CG ASP A 54 -0.373 15.279 10.403 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.504 15.743 10.147 1.00 0.00 O ATOM 808 OD2 ASP A 54 0.315 15.649 11.377 1.00 0.00 O ATOM 0 H ASP A 54 1.333 12.076 9.022 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.750 12.723 10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.258 14.098 9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.091 14.538 8.450 1.00 0.00 H new ATOM 813 N ARG A 55 -1.664 12.662 7.541 1.00 0.00 N ATOM 814 CA ARG A 55 -2.822 12.618 6.656 1.00 0.00 C ATOM 815 C ARG A 55 -3.772 11.494 7.059 1.00 0.00 C ATOM 816 O ARG A 55 -4.992 11.636 6.967 1.00 0.00 O ATOM 817 CB ARG A 55 -2.376 12.427 5.205 1.00 0.00 C ATOM 818 CG ARG A 55 -1.743 13.666 4.594 1.00 0.00 C ATOM 819 CD ARG A 55 -2.648 14.293 3.545 1.00 0.00 C ATOM 820 NE ARG A 55 -2.247 15.660 3.223 1.00 0.00 N ATOM 821 CZ ARG A 55 -2.431 16.692 4.039 1.00 0.00 C ATOM 822 NH1 ARG A 55 -3.006 16.512 5.220 1.00 0.00 N ATOM 823 NH2 ARG A 55 -2.039 17.906 3.675 1.00 0.00 N ATOM 0 H ARG A 55 -0.767 12.552 7.068 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.351 13.567 6.744 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.662 11.604 5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.238 12.136 4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.534 14.394 5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.787 13.402 4.141 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.628 13.686 2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.676 14.292 3.906 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.801 15.832 2.322 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.308 15.580 5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.146 17.306 5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.596 18.048 2.767 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.181 18.697 4.303 1.00 0.00 H new ATOM 837 N TRP A 56 -3.206 10.380 7.506 1.00 0.00 N ATOM 838 CA TRP A 56 -4.002 9.231 7.923 1.00 0.00 C ATOM 839 C TRP A 56 -4.806 9.553 9.177 1.00 0.00 C ATOM 840 O TRP A 56 -5.820 8.913 9.459 1.00 0.00 O ATOM 841 CB TRP A 56 -3.099 8.023 8.177 1.00 0.00 C ATOM 842 CG TRP A 56 -3.840 6.825 8.688 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.034 6.477 9.994 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.483 5.816 7.902 1.00 0.00 C ATOM 845 NE1 TRP A 56 -4.760 5.312 10.068 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.048 4.887 8.798 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.639 5.607 6.529 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -5.755 3.769 8.363 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.340 4.496 6.099 1.00 0.00 C ATOM 850 CH2 TRP A 56 -5.891 3.589 7.014 1.00 0.00 C ATOM 0 H TRP A 56 -2.198 10.247 7.589 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.698 8.992 7.119 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.589 7.758 7.251 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.329 8.299 8.897 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.670 7.035 10.844 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.039 4.841 10.929 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.219 6.301 5.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.181 3.069 9.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.465 4.324 5.040 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.434 2.731 6.647 1.00 0.00 H new ATOM 861 N LYS A 57 -4.349 10.549 9.929 1.00 0.00 N ATOM 862 CA LYS A 57 -5.026 10.958 11.154 1.00 0.00 C ATOM 863 C LYS A 57 -6.104 11.996 10.859 1.00 0.00 C ATOM 864 O LYS A 57 -7.146 12.028 11.514 1.00 0.00 O ATOM 865 CB LYS A 57 -4.017 11.525 12.154 1.00 0.00 C ATOM 866 CG LYS A 57 -2.818 10.621 12.387 1.00 0.00 C ATOM 867 CD LYS A 57 -2.014 11.062 13.599 1.00 0.00 C ATOM 868 CE LYS A 57 -1.329 12.398 13.358 1.00 0.00 C ATOM 869 NZ LYS A 57 -0.786 12.979 14.617 1.00 0.00 N ATOM 0 H LYS A 57 -3.511 11.088 9.711 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.502 10.078 11.587 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.667 12.493 11.795 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.520 11.700 13.105 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.157 9.595 12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.179 10.627 11.504 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.672 11.140 14.464 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.266 10.306 13.835 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.519 12.267 12.640 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.039 13.095 12.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.327 13.889 14.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.562 13.129 15.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.089 12.326 15.029 1.00 0.00 H new ATOM 883 N LYS A 58 -5.847 12.843 9.868 1.00 0.00 N ATOM 884 CA LYS A 58 -6.796 13.882 9.484 1.00 0.00 C ATOM 885 C LYS A 58 -8.002 13.280 8.770 1.00 0.00 C ATOM 886 O LYS A 58 -9.123 13.768 8.908 1.00 0.00 O ATOM 887 CB LYS A 58 -6.117 14.913 8.579 1.00 0.00 C ATOM 888 CG LYS A 58 -5.896 16.258 9.249 1.00 0.00 C ATOM 889 CD LYS A 58 -4.457 16.424 9.706 1.00 0.00 C ATOM 890 CE LYS A 58 -4.309 16.148 11.195 1.00 0.00 C ATOM 891 NZ LYS A 58 -3.315 17.055 11.831 1.00 0.00 N ATOM 0 H LYS A 58 -4.989 12.831 9.316 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.142 14.376 10.392 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.156 14.518 8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.725 15.057 7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.153 17.058 8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.564 16.353 10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.815 15.746 9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.119 17.437 9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.276 16.268 11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.003 15.112 11.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.280 16.869 12.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.376 16.886 11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.593 18.044 11.668 1.00 0.00 H new ATOM 905 N MET A 59 -7.764 12.217 8.010 1.00 0.00 N ATOM 906 CA MET A 59 -8.832 11.547 7.277 1.00 0.00 C ATOM 907 C MET A 59 -9.941 11.096 8.223 1.00 0.00 C ATOM 908 O MET A 59 -9.776 11.115 9.443 1.00 0.00 O ATOM 909 CB MET A 59 -8.278 10.343 6.512 1.00 0.00 C ATOM 910 CG MET A 59 -7.789 10.685 5.114 1.00 0.00 C ATOM 911 SD MET A 59 -7.536 9.222 4.090 1.00 0.00 S ATOM 912 CE MET A 59 -6.339 8.324 5.074 1.00 0.00 C ATOM 0 H MET A 59 -6.841 11.801 7.885 1.00 0.00 H new ATOM 0 HA MET A 59 -9.252 12.258 6.566 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.455 9.909 7.080 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.053 9.580 6.441 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.512 11.342 4.631 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.853 11.240 5.186 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.081 7.392 4.572 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.442 8.930 5.198 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.765 8.103 6.053 1.00 0.00 H new ATOM 922 N LYS A 60 -11.071 10.692 7.653 1.00 0.00 N ATOM 923 CA LYS A 60 -12.207 10.235 8.445 1.00 0.00 C ATOM 924 C LYS A 60 -12.241 8.712 8.520 1.00 0.00 C ATOM 925 O LYS A 60 -11.372 8.035 7.971 1.00 0.00 O ATOM 926 CB LYS A 60 -13.515 10.757 7.845 1.00 0.00 C ATOM 927 CG LYS A 60 -13.560 12.268 7.705 1.00 0.00 C ATOM 928 CD LYS A 60 -14.129 12.927 8.951 1.00 0.00 C ATOM 929 CE LYS A 60 -15.648 12.981 8.908 1.00 0.00 C ATOM 930 NZ LYS A 60 -16.229 13.307 10.240 1.00 0.00 N ATOM 0 H LYS A 60 -11.225 10.672 6.645 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.095 10.628 9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.660 10.305 6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.347 10.434 8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.555 12.647 7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.168 12.536 6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.808 12.375 9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.730 13.937 9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.964 13.729 8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.036 12.021 8.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.266 13.334 10.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.948 12.580 10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.879 14.235 10.554 1.00 0.00 H new ATOM 944 N ASN A 61 -13.251 8.180 9.200 1.00 0.00 N ATOM 945 CA ASN A 61 -13.399 6.736 9.345 1.00 0.00 C ATOM 946 C ASN A 61 -13.591 6.070 7.987 1.00 0.00 C ATOM 947 O ASN A 61 -12.917 5.093 7.663 1.00 0.00 O ATOM 948 CB ASN A 61 -14.584 6.413 10.257 1.00 0.00 C ATOM 949 CG ASN A 61 -14.335 6.820 11.696 1.00 0.00 C ATOM 950 OD1 ASN A 61 -13.403 7.570 11.988 1.00 0.00 O ATOM 951 ND2 ASN A 61 -15.169 6.326 12.604 1.00 0.00 N ATOM 0 H ASN A 61 -13.979 8.727 9.659 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.486 6.345 9.795 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.473 6.923 9.887 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.790 5.343 10.215 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.051 6.565 13.589 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.928 5.708 12.317 1.00 0.00 H new ATOM 958 N GLU A 62 -14.515 6.607 7.196 1.00 0.00 N ATOM 959 CA GLU A 62 -14.795 6.063 5.872 1.00 0.00 C ATOM 960 C GLU A 62 -13.592 6.232 4.948 1.00 0.00 C ATOM 961 O GLU A 62 -13.264 5.337 4.171 1.00 0.00 O ATOM 962 CB GLU A 62 -16.020 6.750 5.263 1.00 0.00 C ATOM 963 CG GLU A 62 -17.202 6.841 6.213 1.00 0.00 C ATOM 964 CD GLU A 62 -18.533 6.877 5.487 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.919 5.843 4.904 1.00 0.00 O ATOM 966 OE2 GLU A 62 -19.187 7.941 5.503 1.00 0.00 O ATOM 0 H GLU A 62 -15.081 7.417 7.448 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.001 4.998 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.742 7.755 4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.324 6.206 4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.185 5.987 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.102 7.737 6.826 1.00 0.00 H new ATOM 973 N GLU A 63 -12.940 7.387 5.041 1.00 0.00 N ATOM 974 CA GLU A 63 -11.775 7.673 4.212 1.00 0.00 C ATOM 975 C GLU A 63 -10.704 6.601 4.390 1.00 0.00 C ATOM 976 O GLU A 63 -9.888 6.369 3.497 1.00 0.00 O ATOM 977 CB GLU A 63 -11.199 9.047 4.561 1.00 0.00 C ATOM 978 CG GLU A 63 -12.179 10.189 4.352 1.00 0.00 C ATOM 979 CD GLU A 63 -12.540 10.389 2.893 1.00 0.00 C ATOM 980 OE1 GLU A 63 -11.615 10.468 2.058 1.00 0.00 O ATOM 981 OE2 GLU A 63 -13.748 10.465 2.587 1.00 0.00 O ATOM 0 H GLU A 63 -13.198 8.138 5.681 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.094 7.674 3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.876 9.042 5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.312 9.225 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.086 9.993 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.747 11.110 4.745 1.00 0.00 H new ATOM 988 N ARG A 64 -10.713 5.950 5.549 1.00 0.00 N ATOM 989 CA ARG A 64 -9.743 4.903 5.845 1.00 0.00 C ATOM 990 C ARG A 64 -10.352 3.521 5.634 1.00 0.00 C ATOM 991 O ARG A 64 -9.639 2.548 5.385 1.00 0.00 O ATOM 992 CB ARG A 64 -9.240 5.037 7.284 1.00 0.00 C ATOM 993 CG ARG A 64 -8.365 6.258 7.513 1.00 0.00 C ATOM 994 CD ARG A 64 -7.983 6.403 8.978 1.00 0.00 C ATOM 995 NE ARG A 64 -8.950 7.210 9.718 1.00 0.00 N ATOM 996 CZ ARG A 64 -8.769 7.604 10.974 1.00 0.00 C ATOM 997 NH1 ARG A 64 -7.664 7.269 11.625 1.00 0.00 N ATOM 998 NH2 ARG A 64 -9.695 8.337 11.580 1.00 0.00 N ATOM 0 H ARG A 64 -11.382 6.130 6.298 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.902 5.018 5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.097 5.083 7.956 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.676 4.142 7.547 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.463 6.179 6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.893 7.153 7.183 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.911 5.415 9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.997 6.861 9.052 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.811 7.486 9.245 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.950 6.707 11.162 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.528 7.573 12.589 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.546 8.598 11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.556 8.639 12.544 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.675 3.441 5.736 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.381 2.178 5.558 1.00 0.00 C ATOM 1014 C ARG A 65 -11.975 1.509 4.248 1.00 0.00 C ATOM 1015 O ARG A 65 -11.830 0.288 4.182 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.893 2.406 5.579 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.702 1.123 5.672 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.194 1.395 5.566 1.00 0.00 C ATOM 1019 NE ARG A 65 -16.958 0.173 5.333 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.286 0.127 5.321 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -18.992 1.230 5.529 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.909 -1.023 5.102 1.00 0.00 N ATOM 0 H ARG A 65 -12.280 4.237 5.941 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.109 1.519 6.383 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.144 3.045 6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.183 2.944 4.676 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.398 0.442 4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.488 0.625 6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.542 1.871 6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.377 2.098 4.753 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.444 -0.693 5.170 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.516 2.116 5.699 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.011 1.193 5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.369 -1.873 4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.928 -1.057 5.093 1.00 0.00 H new ATOM 1036 N MET A 66 -11.794 2.316 3.208 1.00 0.00 N ATOM 1037 CA MET A 66 -11.405 1.802 1.900 1.00 0.00 C ATOM 1038 C MET A 66 -10.174 0.908 2.012 1.00 0.00 C ATOM 1039 O MET A 66 -10.026 -0.058 1.263 1.00 0.00 O ATOM 1040 CB MET A 66 -11.125 2.957 0.937 1.00 0.00 C ATOM 1041 CG MET A 66 -10.032 3.898 1.418 1.00 0.00 C ATOM 1042 SD MET A 66 -10.031 5.470 0.534 1.00 0.00 S ATOM 1043 CE MET A 66 -11.614 6.141 1.034 1.00 0.00 C ATOM 0 H MET A 66 -11.910 3.329 3.246 1.00 0.00 H new ATOM 0 HA MET A 66 -12.231 1.206 1.511 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.841 2.550 -0.033 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.043 3.526 0.788 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.162 4.085 2.484 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.062 3.416 1.295 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.545 7.227 1.098 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.373 5.868 0.300 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.889 5.737 2.008 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.293 1.236 2.950 1.00 0.00 N ATOM 1054 CA TYR A 67 -8.074 0.464 3.158 1.00 0.00 C ATOM 1055 C TYR A 67 -8.269 -0.579 4.253 1.00 0.00 C ATOM 1056 O TYR A 67 -7.702 -1.671 4.197 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.914 1.392 3.523 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.801 2.603 2.624 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.265 2.496 1.346 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.228 3.853 3.052 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -6.159 3.599 0.522 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -7.128 4.962 2.234 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.592 4.830 0.970 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.489 5.932 0.152 1.00 0.00 O ATOM 0 H TYR A 67 -9.400 2.032 3.579 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.839 -0.053 2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.037 1.725 4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.982 0.829 3.479 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.926 1.534 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.646 3.960 4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.739 3.499 -0.468 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.467 5.926 2.582 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.693 6.449 0.398 1.00 0.00 H new ATOM 1074 N THR A 68 -9.077 -0.235 5.252 1.00 0.00 N ATOM 1075 CA THR A 68 -9.348 -1.140 6.362 1.00 0.00 C ATOM 1076 C THR A 68 -9.973 -2.441 5.870 1.00 0.00 C ATOM 1077 O THR A 68 -9.400 -3.519 6.037 1.00 0.00 O ATOM 1078 CB THR A 68 -10.286 -0.493 7.398 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.130 0.931 7.378 1.00 0.00 O ATOM 1080 CG2 THR A 68 -9.997 -1.021 8.795 1.00 0.00 C ATOM 0 H THR A 68 -9.555 0.664 5.315 1.00 0.00 H new ATOM 0 HA THR A 68 -8.390 -1.356 6.835 1.00 0.00 H new ATOM 0 HB THR A 68 -11.313 -0.749 7.136 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.765 1.338 8.004 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.672 -0.549 9.509 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.146 -2.101 8.814 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.966 -0.792 9.064 1.00 0.00 H new ATOM 1088 N LEU A 69 -11.150 -2.334 5.264 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.853 -3.503 4.747 1.00 0.00 C ATOM 1090 C LEU A 69 -10.979 -4.272 3.761 1.00 0.00 C ATOM 1091 O LEU A 69 -11.003 -5.502 3.725 1.00 0.00 O ATOM 1092 CB LEU A 69 -13.157 -3.080 4.068 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.376 -2.944 4.981 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -14.829 -4.309 5.473 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -14.063 -2.028 6.155 1.00 0.00 C ATOM 0 H LEU A 69 -11.638 -1.450 5.118 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.084 -4.158 5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.991 -2.124 3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.390 -3.807 3.290 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.189 -2.500 4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.697 -4.192 6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -15.094 -4.934 4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.021 -4.781 6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.942 -1.943 6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.235 -2.443 6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.788 -1.041 5.783 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.208 -3.539 2.965 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.325 -4.153 1.980 1.00 0.00 C ATOM 1109 C GLU A 70 -8.228 -4.964 2.664 1.00 0.00 C ATOM 1110 O GLU A 70 -8.182 -6.188 2.546 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.700 -3.082 1.084 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.626 -3.618 0.153 1.00 0.00 C ATOM 1113 CD GLU A 70 -7.582 -2.882 -1.172 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -7.841 -1.660 -1.181 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -7.288 -3.528 -2.200 1.00 0.00 O ATOM 0 H GLU A 70 -10.177 -2.520 2.983 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.922 -4.827 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.485 -2.615 0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.269 -2.302 1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.655 -3.538 0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.805 -4.678 -0.030 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.346 -4.272 3.377 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.250 -4.927 4.081 1.00 0.00 C ATOM 1124 C ALA A 71 -6.765 -6.048 4.977 1.00 0.00 C ATOM 1125 O ALA A 71 -6.131 -7.095 5.106 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.467 -3.911 4.900 1.00 0.00 C ATOM 0 H ALA A 71 -7.369 -3.258 3.483 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.586 -5.368 3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.652 -4.414 5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.059 -3.147 4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.129 -3.443 5.629 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.919 -5.822 5.595 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.521 -6.813 6.479 1.00 0.00 C ATOM 1134 C LYS A 72 -8.674 -8.154 5.769 1.00 0.00 C ATOM 1135 O LYS A 72 -8.219 -9.185 6.264 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.886 -6.326 6.972 1.00 0.00 C ATOM 1137 CG LYS A 72 -10.654 -7.369 7.764 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.941 -6.798 8.337 1.00 0.00 C ATOM 1139 CE LYS A 72 -11.663 -5.832 9.478 1.00 0.00 C ATOM 1140 NZ LYS A 72 -12.912 -5.430 10.181 1.00 0.00 N ATOM 0 H LYS A 72 -8.457 -4.960 5.500 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.860 -6.948 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.744 -5.442 7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.485 -6.020 6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.886 -8.218 7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.029 -7.745 8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.494 -6.284 7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.574 -7.611 8.693 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.980 -6.297 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.164 -4.945 9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.680 -4.771 10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.554 -4.964 9.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.376 -6.274 10.574 1.00 0.00 H new