USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 690 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 GLN : amide:sc= -0.0506 K(o=0.09,f=-1.5!) USER MOD Set 1.2: A 87 HIS : no HD1:sc= 0.141 K(o=0.09,f=-3.4!) USER MOD Set 2.1: A 40 TYR OH : rot 45:sc= 1.53 USER MOD Set 2.2: A 74 THR OG1 : rot 180:sc= -0.215 USER MOD Set 2.3: A 92 ASN : amide:sc= 0.0284 K(o=1.3,f=-0.86!) USER MOD Set 3.1: A 14 LYS NZ :NH3+ -166:sc= 1.18 (180deg=-0.0405) USER MOD Set 3.2: A 18 GLN : amide:sc= 0.996 K(o=2.2,f=-8.4!) USER MOD Single : A 0 MET CE :methyl -148:sc= -2.06 (180deg=-2.43) USER MOD Single : A 0 MET N :NH3+ -129:sc= -0.0282 (180deg=-0.326) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.194 (180deg=-0.921) USER MOD Single : A 3 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0141) USER MOD Single : A 5 THR OG1 : rot 170:sc= 1.71 USER MOD Single : A 11 GLN : amide:sc= -0.0272 K(o=-0.027,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ -149:sc= 1.11 (180deg=0.457) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 178:sc= -0.0914 (180deg=-0.103) USER MOD Single : A 25 CYS SG : rot 18:sc= -0.433 USER MOD Single : A 33 ASN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : A 37 SER OG : rot -21:sc= 0.223 USER MOD Single : A 42 MET CE :methyl -163:sc= -0.0866 (180deg=-0.508) USER MOD Single : A 48 THR OG1 : rot 145:sc= 1.18 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -72:sc= -0.267! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0.725 K(o=0.73,f=-0.37) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 295 N MET A 0 97.702 9.805 -2.179 1.00 0.00 N ATOM 296 CA MET A 0 97.813 8.358 -2.093 1.00 0.00 C ATOM 297 C MET A 0 97.099 7.730 -3.278 1.00 0.00 C ATOM 298 O MET A 0 96.034 8.201 -3.682 1.00 0.00 O ATOM 299 CB MET A 0 97.188 7.850 -0.788 1.00 0.00 C ATOM 300 CG MET A 0 97.888 8.342 0.469 1.00 0.00 C ATOM 301 SD MET A 0 99.487 7.557 0.728 1.00 0.00 S ATOM 302 CE MET A 0 98.981 5.867 1.035 1.00 0.00 C ATOM 0 H1 MET A 0 98.645 10.232 -2.080 1.00 0.00 H new ATOM 0 H2 MET A 0 97.298 10.068 -3.100 1.00 0.00 H new ATOM 0 H3 MET A 0 97.084 10.152 -1.418 1.00 0.00 H new ATOM 0 HA MET A 0 98.867 8.081 -2.106 1.00 0.00 H new ATOM 0 HB2 MET A 0 96.143 8.159 -0.754 1.00 0.00 H new ATOM 0 HB3 MET A 0 97.198 6.760 -0.793 1.00 0.00 H new ATOM 0 HG2 MET A 0 98.024 9.422 0.405 1.00 0.00 H new ATOM 0 HG3 MET A 0 97.251 8.152 1.333 1.00 0.00 H new ATOM 0 HE1 MET A 0 99.678 5.399 1.730 1.00 0.00 H new ATOM 0 HE2 MET A 0 97.980 5.860 1.466 1.00 0.00 H new ATOM 0 HE3 MET A 0 98.976 5.312 0.097 1.00 0.00 H new ATOM 312 N MET A 1 97.682 6.685 -3.842 1.00 0.00 N ATOM 313 CA MET A 1 97.068 5.986 -4.965 1.00 0.00 C ATOM 314 C MET A 1 96.218 4.818 -4.473 1.00 0.00 C ATOM 315 O MET A 1 95.898 3.907 -5.234 1.00 0.00 O ATOM 316 CB MET A 1 98.134 5.491 -5.947 1.00 0.00 C ATOM 317 CG MET A 1 98.897 6.612 -6.635 1.00 0.00 C ATOM 318 SD MET A 1 100.045 6.011 -7.892 1.00 0.00 S ATOM 319 CE MET A 1 98.918 5.194 -9.023 1.00 0.00 C ATOM 0 H MET A 1 98.578 6.301 -3.543 1.00 0.00 H new ATOM 0 HA MET A 1 96.420 6.691 -5.487 1.00 0.00 H new ATOM 0 HB2 MET A 1 98.841 4.856 -5.413 1.00 0.00 H new ATOM 0 HB3 MET A 1 97.657 4.869 -6.705 1.00 0.00 H new ATOM 0 HG2 MET A 1 98.187 7.298 -7.097 1.00 0.00 H new ATOM 0 HG3 MET A 1 99.450 7.181 -5.887 1.00 0.00 H new ATOM 0 HE1 MET A 1 99.388 5.103 -10.002 1.00 0.00 H new ATOM 0 HE2 MET A 1 98.676 4.202 -8.642 1.00 0.00 H new ATOM 0 HE3 MET A 1 98.004 5.781 -9.113 1.00 0.00 H new ATOM 329 N PHE A 2 95.865 4.857 -3.194 1.00 0.00 N ATOM 330 CA PHE A 2 94.982 3.859 -2.605 1.00 0.00 C ATOM 331 C PHE A 2 93.587 4.000 -3.199 1.00 0.00 C ATOM 332 O PHE A 2 92.941 5.037 -3.045 1.00 0.00 O ATOM 333 CB PHE A 2 94.934 4.026 -1.078 1.00 0.00 C ATOM 334 CG PHE A 2 94.110 2.985 -0.360 1.00 0.00 C ATOM 335 CD1 PHE A 2 94.681 1.788 0.041 1.00 0.00 C ATOM 336 CD2 PHE A 2 92.770 3.209 -0.080 1.00 0.00 C ATOM 337 CE1 PHE A 2 93.933 0.834 0.708 1.00 0.00 C ATOM 338 CE2 PHE A 2 92.018 2.260 0.588 1.00 0.00 C ATOM 339 CZ PHE A 2 92.599 1.071 0.980 1.00 0.00 C ATOM 0 H PHE A 2 96.180 5.575 -2.541 1.00 0.00 H new ATOM 0 HA PHE A 2 95.365 2.863 -2.829 1.00 0.00 H new ATOM 0 HB2 PHE A 2 95.952 3.996 -0.690 1.00 0.00 H new ATOM 0 HB3 PHE A 2 94.533 5.012 -0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 2 95.723 1.597 -0.170 1.00 0.00 H new ATOM 0 HD2 PHE A 2 92.308 4.136 -0.387 1.00 0.00 H new ATOM 0 HE1 PHE A 2 94.391 -0.094 1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 2 90.977 2.449 0.803 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.012 0.327 1.498 1.00 0.00 H new ATOM 349 N LYS A 3 93.133 2.966 -3.888 1.00 0.00 N ATOM 350 CA LYS A 3 91.836 2.998 -4.547 1.00 0.00 C ATOM 351 C LYS A 3 90.850 2.096 -3.831 1.00 0.00 C ATOM 352 O LYS A 3 90.994 0.877 -3.844 1.00 0.00 O ATOM 353 CB LYS A 3 91.957 2.555 -6.007 1.00 0.00 C ATOM 354 CG LYS A 3 92.740 3.516 -6.886 1.00 0.00 C ATOM 355 CD LYS A 3 92.933 2.945 -8.282 1.00 0.00 C ATOM 356 CE LYS A 3 93.661 3.919 -9.192 1.00 0.00 C ATOM 357 NZ LYS A 3 92.812 5.078 -9.583 1.00 0.00 N ATOM 0 H LYS A 3 93.644 2.091 -4.006 1.00 0.00 H new ATOM 0 HA LYS A 3 91.473 4.025 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.437 1.577 -6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 3 90.957 2.433 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 3 92.213 4.468 -6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 3 93.711 3.718 -6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 3 93.497 2.014 -8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 3 91.962 2.701 -8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 3 94.556 4.282 -8.688 1.00 0.00 H new ATOM 0 HE3 LYS A 3 93.991 3.395 -10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 93.331 5.677 -10.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 91.938 4.733 -10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 92.574 5.635 -8.737 1.00 0.00 H new ATOM 371 N LEU A 4 89.858 2.693 -3.197 1.00 0.00 N ATOM 372 CA LEU A 4 88.809 1.924 -2.553 1.00 0.00 C ATOM 373 C LEU A 4 87.553 1.980 -3.416 1.00 0.00 C ATOM 374 O LEU A 4 86.985 3.054 -3.624 1.00 0.00 O ATOM 375 CB LEU A 4 88.526 2.473 -1.148 1.00 0.00 C ATOM 376 CG LEU A 4 88.194 1.421 -0.080 1.00 0.00 C ATOM 377 CD1 LEU A 4 87.908 2.085 1.255 1.00 0.00 C ATOM 378 CD2 LEU A 4 87.015 0.564 -0.505 1.00 0.00 C ATOM 0 H LEU A 4 89.756 3.705 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 4 89.129 0.887 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 4 89.396 3.039 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 4 87.694 3.175 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 4 89.063 0.773 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 4 87.675 1.322 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 4 88.784 2.649 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 4 87.059 2.761 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 4 86.802 -0.172 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 4 86.140 1.197 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 4 87.255 0.051 -1.436 1.00 0.00 H new ATOM 390 N THR A 5 87.137 0.829 -3.932 1.00 0.00 N ATOM 391 CA THR A 5 85.984 0.765 -4.816 1.00 0.00 C ATOM 392 C THR A 5 84.702 1.119 -4.069 1.00 0.00 C ATOM 393 O THR A 5 84.586 0.876 -2.865 1.00 0.00 O ATOM 394 CB THR A 5 85.833 -0.639 -5.436 1.00 0.00 C ATOM 395 OG1 THR A 5 85.643 -1.613 -4.401 1.00 0.00 O ATOM 396 CG2 THR A 5 87.058 -1.000 -6.261 1.00 0.00 C ATOM 0 H THR A 5 87.582 -0.071 -3.752 1.00 0.00 H new ATOM 0 HA THR A 5 86.151 1.491 -5.612 1.00 0.00 H new ATOM 0 HB THR A 5 84.963 -0.632 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 5 85.385 -2.470 -4.801 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.929 -1.994 -6.688 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.183 -0.273 -7.064 1.00 0.00 H new ATOM 0 HG23 THR A 5 87.942 -0.991 -5.623 1.00 0.00 H new ATOM 404 N PRO A 6 83.715 1.701 -4.772 1.00 0.00 N ATOM 405 CA PRO A 6 82.409 2.013 -4.186 1.00 0.00 C ATOM 406 C PRO A 6 81.701 0.750 -3.708 1.00 0.00 C ATOM 407 O PRO A 6 80.806 0.801 -2.862 1.00 0.00 O ATOM 408 CB PRO A 6 81.633 2.662 -5.340 1.00 0.00 C ATOM 409 CG PRO A 6 82.674 3.096 -6.315 1.00 0.00 C ATOM 410 CD PRO A 6 83.798 2.109 -6.183 1.00 0.00 C ATOM 0 HA PRO A 6 82.491 2.658 -3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 6 80.938 1.955 -5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.043 3.509 -4.991 1.00 0.00 H new ATOM 0 HG2 PRO A 6 82.279 3.104 -7.331 1.00 0.00 H new ATOM 0 HG3 PRO A 6 83.015 4.108 -6.098 1.00 0.00 H new ATOM 0 HD2 PRO A 6 83.672 1.261 -6.856 1.00 0.00 H new ATOM 0 HD3 PRO A 6 84.762 2.561 -6.417 1.00 0.00 H new ATOM 418 N ALA A 7 82.117 -0.383 -4.257 1.00 0.00 N ATOM 419 CA ALA A 7 81.580 -1.672 -3.861 1.00 0.00 C ATOM 420 C ALA A 7 82.146 -2.099 -2.511 1.00 0.00 C ATOM 421 O ALA A 7 81.395 -2.400 -1.584 1.00 0.00 O ATOM 422 CB ALA A 7 81.888 -2.717 -4.920 1.00 0.00 C ATOM 0 H ALA A 7 82.831 -0.432 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 7 80.498 -1.581 -3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 7 81.480 -3.679 -4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 7 81.438 -2.419 -5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.968 -2.803 -5.043 1.00 0.00 H new ATOM 428 N ALA A 8 83.473 -2.118 -2.402 1.00 0.00 N ATOM 429 CA ALA A 8 84.128 -2.533 -1.166 1.00 0.00 C ATOM 430 C ALA A 8 83.827 -1.558 -0.037 1.00 0.00 C ATOM 431 O ALA A 8 83.617 -1.968 1.104 1.00 0.00 O ATOM 432 CB ALA A 8 85.629 -2.664 -1.371 1.00 0.00 C ATOM 0 H ALA A 8 84.112 -1.852 -3.151 1.00 0.00 H new ATOM 0 HA ALA A 8 83.732 -3.509 -0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 8 86.098 -2.974 -0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.827 -3.409 -2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.039 -1.703 -1.681 1.00 0.00 H new ATOM 438 N ALA A 9 83.787 -0.269 -0.368 1.00 0.00 N ATOM 439 CA ALA A 9 83.473 0.770 0.607 1.00 0.00 C ATOM 440 C ALA A 9 82.095 0.541 1.216 1.00 0.00 C ATOM 441 O ALA A 9 81.866 0.825 2.393 1.00 0.00 O ATOM 442 CB ALA A 9 83.544 2.146 -0.043 1.00 0.00 C ATOM 0 H ALA A 9 83.969 0.081 -1.309 1.00 0.00 H new ATOM 0 HA ALA A 9 84.212 0.723 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 9 83.307 2.911 0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 9 84.549 2.314 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 9 82.826 2.199 -0.862 1.00 0.00 H new ATOM 448 N GLU A 10 81.191 0.004 0.409 1.00 0.00 N ATOM 449 CA GLU A 10 79.843 -0.301 0.859 1.00 0.00 C ATOM 450 C GLU A 10 79.872 -1.391 1.928 1.00 0.00 C ATOM 451 O GLU A 10 79.158 -1.316 2.927 1.00 0.00 O ATOM 452 CB GLU A 10 78.984 -0.748 -0.322 1.00 0.00 C ATOM 453 CG GLU A 10 77.536 -1.016 0.041 1.00 0.00 C ATOM 454 CD GLU A 10 76.751 -1.588 -1.116 1.00 0.00 C ATOM 455 OE1 GLU A 10 76.399 -0.822 -2.037 1.00 0.00 O ATOM 456 OE2 GLU A 10 76.478 -2.804 -1.110 1.00 0.00 O ATOM 0 H GLU A 10 81.370 -0.230 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 10 79.409 0.600 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 10 79.019 0.019 -1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 10 79.415 -1.653 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 10 77.497 -1.709 0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 10 77.069 -0.088 0.371 1.00 0.00 H new ATOM 463 N GLN A 11 80.716 -2.395 1.724 1.00 0.00 N ATOM 464 CA GLN A 11 80.824 -3.492 2.672 1.00 0.00 C ATOM 465 C GLN A 11 81.584 -3.043 3.918 1.00 0.00 C ATOM 466 O GLN A 11 81.377 -3.577 5.008 1.00 0.00 O ATOM 467 CB GLN A 11 81.492 -4.707 2.024 1.00 0.00 C ATOM 468 CG GLN A 11 81.461 -5.953 2.897 1.00 0.00 C ATOM 469 CD GLN A 11 81.845 -7.208 2.138 1.00 0.00 C ATOM 470 OE1 GLN A 11 81.601 -7.321 0.939 1.00 0.00 O ATOM 471 NE2 GLN A 11 82.440 -8.163 2.833 1.00 0.00 N ATOM 0 H GLN A 11 81.332 -2.471 0.914 1.00 0.00 H new ATOM 0 HA GLN A 11 79.820 -3.789 2.975 1.00 0.00 H new ATOM 0 HB2 GLN A 11 80.996 -4.923 1.078 1.00 0.00 H new ATOM 0 HB3 GLN A 11 82.528 -4.461 1.792 1.00 0.00 H new ATOM 0 HG2 GLN A 11 82.141 -5.819 3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 11 80.461 -6.076 3.312 1.00 0.00 H new ATOM 0 HE21 GLN A 11 82.625 -8.030 3.827 1.00 0.00 H new ATOM 0 HE22 GLN A 11 82.714 -9.032 2.375 1.00 0.00 H new ATOM 480 N VAL A 12 82.453 -2.051 3.756 1.00 0.00 N ATOM 481 CA VAL A 12 83.103 -1.418 4.898 1.00 0.00 C ATOM 482 C VAL A 12 82.056 -0.693 5.741 1.00 0.00 C ATOM 483 O VAL A 12 82.052 -0.786 6.968 1.00 0.00 O ATOM 484 CB VAL A 12 84.201 -0.421 4.459 1.00 0.00 C ATOM 485 CG1 VAL A 12 84.826 0.268 5.665 1.00 0.00 C ATOM 486 CG2 VAL A 12 85.270 -1.126 3.639 1.00 0.00 C ATOM 0 H VAL A 12 82.723 -1.669 2.849 1.00 0.00 H new ATOM 0 HA VAL A 12 83.584 -2.200 5.486 1.00 0.00 H new ATOM 0 HB VAL A 12 83.732 0.341 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 12 85.595 0.964 5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 12 84.057 0.814 6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 12 85.274 -0.480 6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 12 86.033 -0.407 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 12 85.728 -1.913 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.817 -1.564 2.750 1.00 0.00 H new ATOM 496 N LEU A 13 81.157 0.012 5.060 1.00 0.00 N ATOM 497 CA LEU A 13 80.025 0.662 5.710 1.00 0.00 C ATOM 498 C LEU A 13 79.152 -0.382 6.403 1.00 0.00 C ATOM 499 O LEU A 13 78.712 -0.192 7.539 1.00 0.00 O ATOM 500 CB LEU A 13 79.201 1.433 4.674 1.00 0.00 C ATOM 501 CG LEU A 13 77.960 2.145 5.215 1.00 0.00 C ATOM 502 CD1 LEU A 13 78.356 3.264 6.165 1.00 0.00 C ATOM 503 CD2 LEU A 13 77.117 2.684 4.070 1.00 0.00 C ATOM 0 H LEU A 13 81.192 0.148 4.050 1.00 0.00 H new ATOM 0 HA LEU A 13 80.398 1.362 6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 13 79.846 2.174 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 13 78.889 0.738 3.894 1.00 0.00 H new ATOM 0 HG LEU A 13 77.362 1.423 5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 13 77.459 3.758 6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 13 78.917 2.849 7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 13 78.976 3.988 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 13 76.238 3.188 4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 13 77.706 3.392 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 13 76.802 1.859 3.430 1.00 0.00 H new ATOM 515 N LYS A 14 78.913 -1.482 5.698 1.00 0.00 N ATOM 516 CA LYS A 14 78.169 -2.617 6.230 1.00 0.00 C ATOM 517 C LYS A 14 78.793 -3.113 7.534 1.00 0.00 C ATOM 518 O LYS A 14 78.100 -3.295 8.536 1.00 0.00 O ATOM 519 CB LYS A 14 78.154 -3.736 5.184 1.00 0.00 C ATOM 520 CG LYS A 14 77.440 -5.007 5.612 1.00 0.00 C ATOM 521 CD LYS A 14 77.523 -6.062 4.519 1.00 0.00 C ATOM 522 CE LYS A 14 76.802 -7.346 4.896 1.00 0.00 C ATOM 523 NZ LYS A 14 77.427 -8.030 6.060 1.00 0.00 N ATOM 0 H LYS A 14 79.231 -1.612 4.738 1.00 0.00 H new ATOM 0 HA LYS A 14 77.147 -2.306 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.680 -3.359 4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 14 79.183 -3.985 4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 14 77.887 -5.390 6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 14 76.396 -4.787 5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.093 -5.664 3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 14 78.570 -6.284 4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.761 -7.120 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 14 76.799 -8.022 4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 77.059 -9.000 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 78.459 -8.059 5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 77.201 -7.509 6.931 1.00 0.00 H new ATOM 537 N ALA A 15 80.107 -3.308 7.516 1.00 0.00 N ATOM 538 CA ALA A 15 80.835 -3.773 8.691 1.00 0.00 C ATOM 539 C ALA A 15 80.783 -2.744 9.816 1.00 0.00 C ATOM 540 O ALA A 15 80.631 -3.097 10.984 1.00 0.00 O ATOM 541 CB ALA A 15 82.277 -4.092 8.326 1.00 0.00 C ATOM 0 H ALA A 15 80.692 -3.150 6.696 1.00 0.00 H new ATOM 0 HA ALA A 15 80.354 -4.683 9.049 1.00 0.00 H new ATOM 0 HB1 ALA A 15 82.809 -4.438 9.212 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.296 -4.872 7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 15 82.761 -3.195 7.939 1.00 0.00 H new ATOM 547 N ALA A 16 80.899 -1.471 9.456 1.00 0.00 N ATOM 548 CA ALA A 16 80.849 -0.387 10.431 1.00 0.00 C ATOM 549 C ALA A 16 79.500 -0.351 11.141 1.00 0.00 C ATOM 550 O ALA A 16 79.434 -0.188 12.362 1.00 0.00 O ATOM 551 CB ALA A 16 81.124 0.948 9.755 1.00 0.00 C ATOM 0 H ALA A 16 81.029 -1.163 8.492 1.00 0.00 H new ATOM 0 HA ALA A 16 81.622 -0.569 11.178 1.00 0.00 H new ATOM 0 HB1 ALA A 16 81.083 1.746 10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.113 0.927 9.298 1.00 0.00 H new ATOM 0 HB3 ALA A 16 80.373 1.128 8.986 1.00 0.00 H new ATOM 557 N LYS A 17 78.430 -0.515 10.374 1.00 0.00 N ATOM 558 CA LYS A 17 77.079 -0.479 10.920 1.00 0.00 C ATOM 559 C LYS A 17 76.787 -1.714 11.764 1.00 0.00 C ATOM 560 O LYS A 17 76.251 -1.605 12.865 1.00 0.00 O ATOM 561 CB LYS A 17 76.049 -0.360 9.796 1.00 0.00 C ATOM 562 CG LYS A 17 76.055 0.998 9.117 1.00 0.00 C ATOM 563 CD LYS A 17 74.985 1.093 8.045 1.00 0.00 C ATOM 564 CE LYS A 17 74.812 2.524 7.566 1.00 0.00 C ATOM 565 NZ LYS A 17 74.401 3.429 8.673 1.00 0.00 N ATOM 0 H LYS A 17 78.472 -0.675 9.367 1.00 0.00 H new ATOM 0 HA LYS A 17 77.008 0.398 11.564 1.00 0.00 H new ATOM 0 HB2 LYS A 17 76.244 -1.132 9.051 1.00 0.00 H new ATOM 0 HB3 LYS A 17 75.055 -0.551 10.201 1.00 0.00 H new ATOM 0 HG2 LYS A 17 75.895 1.778 9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 17 77.033 1.178 8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 17 75.253 0.455 7.203 1.00 0.00 H new ATOM 0 HD3 LYS A 17 74.039 0.722 8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 17 75.748 2.879 7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 17 74.064 2.555 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 73.809 4.195 8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 73.859 2.890 9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 75.247 3.835 9.122 1.00 0.00 H new ATOM 579 N GLN A 18 77.157 -2.881 11.253 1.00 0.00 N ATOM 580 CA GLN A 18 76.893 -4.138 11.948 1.00 0.00 C ATOM 581 C GLN A 18 77.850 -4.340 13.115 1.00 0.00 C ATOM 582 O GLN A 18 77.630 -5.202 13.969 1.00 0.00 O ATOM 583 CB GLN A 18 76.985 -5.313 10.975 1.00 0.00 C ATOM 584 CG GLN A 18 75.880 -5.309 9.936 1.00 0.00 C ATOM 585 CD GLN A 18 75.977 -6.463 8.960 1.00 0.00 C ATOM 586 OE1 GLN A 18 77.068 -6.933 8.628 1.00 0.00 O ATOM 587 NE2 GLN A 18 74.831 -6.938 8.507 1.00 0.00 N ATOM 0 H GLN A 18 77.640 -2.985 10.361 1.00 0.00 H new ATOM 0 HA GLN A 18 75.881 -4.091 12.351 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.951 -5.285 10.471 1.00 0.00 H new ATOM 0 HB3 GLN A 18 76.945 -6.247 11.536 1.00 0.00 H new ATOM 0 HG2 GLN A 18 74.915 -5.348 10.441 1.00 0.00 H new ATOM 0 HG3 GLN A 18 75.913 -4.370 9.383 1.00 0.00 H new ATOM 0 HE21 GLN A 18 73.951 -6.519 8.808 1.00 0.00 H new ATOM 0 HE22 GLN A 18 74.826 -7.724 7.857 1.00 0.00 H new ATOM 596 N GLY A 19 78.916 -3.556 13.143 1.00 0.00 N ATOM 597 CA GLY A 19 79.853 -3.619 14.247 1.00 0.00 C ATOM 598 C GLY A 19 79.590 -2.538 15.276 1.00 0.00 C ATOM 599 O GLY A 19 80.064 -2.620 16.409 1.00 0.00 O ATOM 0 H GLY A 19 79.150 -2.876 12.420 1.00 0.00 H new ATOM 0 HA2 GLY A 19 79.787 -4.597 14.723 1.00 0.00 H new ATOM 0 HA3 GLY A 19 80.869 -3.518 13.866 1.00 0.00 H new ATOM 603 N GLY A 20 78.825 -1.527 14.881 1.00 0.00 N ATOM 604 CA GLY A 20 78.523 -0.426 15.772 1.00 0.00 C ATOM 605 C GLY A 20 79.722 0.475 15.985 1.00 0.00 C ATOM 606 O GLY A 20 79.962 0.955 17.092 1.00 0.00 O ATOM 0 H GLY A 20 78.407 -1.452 13.954 1.00 0.00 H new ATOM 0 HA2 GLY A 20 77.699 0.158 15.361 1.00 0.00 H new ATOM 0 HA3 GLY A 20 78.188 -0.818 16.733 1.00 0.00 H new ATOM 610 N THR A 21 80.477 0.704 14.921 1.00 0.00 N ATOM 611 CA THR A 21 81.702 1.484 15.010 1.00 0.00 C ATOM 612 C THR A 21 81.661 2.672 14.046 1.00 0.00 C ATOM 613 O THR A 21 82.696 3.166 13.596 1.00 0.00 O ATOM 614 CB THR A 21 82.923 0.598 14.695 1.00 0.00 C ATOM 615 OG1 THR A 21 82.683 -0.738 15.165 1.00 0.00 O ATOM 616 CG2 THR A 21 84.176 1.140 15.365 1.00 0.00 C ATOM 0 H THR A 21 80.262 0.360 13.985 1.00 0.00 H new ATOM 0 HA THR A 21 81.789 1.864 16.028 1.00 0.00 H new ATOM 0 HB THR A 21 83.073 0.597 13.615 1.00 0.00 H new ATOM 0 HG1 THR A 21 83.460 -1.300 14.962 1.00 0.00 H new ATOM 0 HG21 THR A 21 85.023 0.497 15.127 1.00 0.00 H new ATOM 0 HG22 THR A 21 84.374 2.149 15.004 1.00 0.00 H new ATOM 0 HG23 THR A 21 84.030 1.163 16.445 1.00 0.00 H new ATOM 624 N GLU A 22 80.451 3.152 13.766 1.00 0.00 N ATOM 625 CA GLU A 22 80.251 4.253 12.820 1.00 0.00 C ATOM 626 C GLU A 22 80.808 5.573 13.357 1.00 0.00 C ATOM 627 O GLU A 22 80.928 6.548 12.617 1.00 0.00 O ATOM 628 CB GLU A 22 78.761 4.433 12.518 1.00 0.00 C ATOM 629 CG GLU A 22 78.102 3.222 11.880 1.00 0.00 C ATOM 630 CD GLU A 22 76.615 3.427 11.665 1.00 0.00 C ATOM 631 OE1 GLU A 22 75.831 3.113 12.584 1.00 0.00 O ATOM 632 OE2 GLU A 22 76.220 3.908 10.580 1.00 0.00 O ATOM 0 H GLU A 22 79.590 2.796 14.181 1.00 0.00 H new ATOM 0 HA GLU A 22 80.790 3.992 11.909 1.00 0.00 H new ATOM 0 HB2 GLU A 22 78.240 4.669 13.446 1.00 0.00 H new ATOM 0 HB3 GLU A 22 78.637 5.290 11.856 1.00 0.00 H new ATOM 0 HG2 GLU A 22 78.580 3.012 10.923 1.00 0.00 H new ATOM 0 HG3 GLU A 22 78.259 2.349 12.513 1.00 0.00 H new ATOM 639 N GLY A 23 81.144 5.605 14.640 1.00 0.00 N ATOM 640 CA GLY A 23 81.563 6.844 15.267 1.00 0.00 C ATOM 641 C GLY A 23 83.049 7.120 15.138 1.00 0.00 C ATOM 642 O GLY A 23 83.539 8.132 15.643 1.00 0.00 O ATOM 0 H GLY A 23 81.134 4.794 15.259 1.00 0.00 H new ATOM 0 HA2 GLY A 23 81.009 7.671 14.823 1.00 0.00 H new ATOM 0 HA3 GLY A 23 81.298 6.814 16.324 1.00 0.00 H new ATOM 646 N MET A 24 83.776 6.237 14.468 1.00 0.00 N ATOM 647 CA MET A 24 85.214 6.420 14.313 1.00 0.00 C ATOM 648 C MET A 24 85.620 6.370 12.846 1.00 0.00 C ATOM 649 O MET A 24 84.810 6.049 11.976 1.00 0.00 O ATOM 650 CB MET A 24 85.997 5.381 15.126 1.00 0.00 C ATOM 651 CG MET A 24 85.734 5.468 16.621 1.00 0.00 C ATOM 652 SD MET A 24 86.995 4.648 17.618 1.00 0.00 S ATOM 653 CE MET A 24 86.853 2.958 17.044 1.00 0.00 C ATOM 0 H MET A 24 83.401 5.397 14.028 1.00 0.00 H new ATOM 0 HA MET A 24 85.462 7.408 14.700 1.00 0.00 H new ATOM 0 HB2 MET A 24 85.736 4.383 14.775 1.00 0.00 H new ATOM 0 HB3 MET A 24 87.063 5.514 14.943 1.00 0.00 H new ATOM 0 HG2 MET A 24 85.676 6.517 16.912 1.00 0.00 H new ATOM 0 HG3 MET A 24 84.763 5.023 16.838 1.00 0.00 H new ATOM 0 HE1 MET A 24 87.597 2.339 17.546 1.00 0.00 H new ATOM 0 HE2 MET A 24 85.855 2.580 17.268 1.00 0.00 H new ATOM 0 HE3 MET A 24 87.020 2.924 15.967 1.00 0.00 H new ATOM 663 N CYS A 25 86.879 6.686 12.583 1.00 0.00 N ATOM 664 CA CYS A 25 87.383 6.788 11.222 1.00 0.00 C ATOM 665 C CYS A 25 88.174 5.540 10.853 1.00 0.00 C ATOM 666 O CYS A 25 88.765 4.892 11.717 1.00 0.00 O ATOM 667 CB CYS A 25 88.268 8.035 11.100 1.00 0.00 C ATOM 668 SG CYS A 25 88.928 8.347 9.443 1.00 0.00 S ATOM 0 H CYS A 25 87.576 6.878 13.302 1.00 0.00 H new ATOM 0 HA CYS A 25 86.542 6.874 10.534 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.690 8.904 11.414 1.00 0.00 H new ATOM 0 HB3 CYS A 25 89.102 7.939 11.795 1.00 0.00 H new ATOM 0 HG CYS A 25 88.238 7.678 8.568 1.00 0.00 H new ATOM 674 N LEU A 26 88.171 5.195 9.572 1.00 0.00 N ATOM 675 CA LEU A 26 88.936 4.055 9.092 1.00 0.00 C ATOM 676 C LEU A 26 90.420 4.399 9.055 1.00 0.00 C ATOM 677 O LEU A 26 90.857 5.223 8.253 1.00 0.00 O ATOM 678 CB LEU A 26 88.466 3.628 7.700 1.00 0.00 C ATOM 679 CG LEU A 26 89.200 2.417 7.114 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.885 1.158 7.909 1.00 0.00 C ATOM 681 CD2 LEU A 26 88.844 2.231 5.648 1.00 0.00 C ATOM 0 H LEU A 26 87.648 5.688 8.849 1.00 0.00 H new ATOM 0 HA LEU A 26 88.776 3.224 9.779 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.401 3.402 7.746 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.584 4.470 7.018 1.00 0.00 H new ATOM 0 HG LEU A 26 90.272 2.603 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 26 89.417 0.311 7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 26 89.200 1.293 8.944 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.812 0.967 7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 26 89.376 1.366 5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.770 2.072 5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 26 89.131 3.121 5.088 1.00 0.00 H new ATOM 693 N ARG A 27 91.186 3.773 9.927 1.00 0.00 N ATOM 694 CA ARG A 27 92.612 4.016 9.991 1.00 0.00 C ATOM 695 C ARG A 27 93.350 2.773 9.521 1.00 0.00 C ATOM 696 O ARG A 27 93.096 1.665 10.002 1.00 0.00 O ATOM 697 CB ARG A 27 93.025 4.400 11.413 1.00 0.00 C ATOM 698 CG ARG A 27 94.371 5.100 11.494 1.00 0.00 C ATOM 699 CD ARG A 27 94.608 5.670 12.882 1.00 0.00 C ATOM 700 NE ARG A 27 95.808 6.501 12.937 1.00 0.00 N ATOM 701 CZ ARG A 27 96.446 6.812 14.064 1.00 0.00 C ATOM 702 NH1 ARG A 27 95.979 6.399 15.237 1.00 0.00 N ATOM 703 NH2 ARG A 27 97.531 7.569 14.018 1.00 0.00 N ATOM 0 H ARG A 27 90.842 3.090 10.603 1.00 0.00 H new ATOM 0 HA ARG A 27 92.872 4.849 9.338 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.262 5.051 11.840 1.00 0.00 H new ATOM 0 HB3 ARG A 27 93.057 3.500 12.027 1.00 0.00 H new ATOM 0 HG2 ARG A 27 95.166 4.397 11.246 1.00 0.00 H new ATOM 0 HG3 ARG A 27 94.413 5.901 10.756 1.00 0.00 H new ATOM 0 HD2 ARG A 27 93.744 6.262 13.183 1.00 0.00 H new ATOM 0 HD3 ARG A 27 94.700 4.853 13.598 1.00 0.00 H new ATOM 0 HE ARG A 27 96.180 6.865 12.060 1.00 0.00 H new ATOM 0 HH11 ARG A 27 95.127 5.840 15.278 1.00 0.00 H new ATOM 0 HH12 ARG A 27 96.473 6.641 16.096 1.00 0.00 H new ATOM 0 HH21 ARG A 27 97.876 7.912 13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 27 98.022 7.809 14.879 1.00 0.00 H new ATOM 717 N LEU A 28 94.238 2.950 8.564 1.00 0.00 N ATOM 718 CA LEU A 28 94.921 1.823 7.959 1.00 0.00 C ATOM 719 C LEU A 28 96.299 1.622 8.573 1.00 0.00 C ATOM 720 O LEU A 28 97.122 2.538 8.601 1.00 0.00 O ATOM 721 CB LEU A 28 95.040 2.020 6.448 1.00 0.00 C ATOM 722 CG LEU A 28 93.716 2.212 5.707 1.00 0.00 C ATOM 723 CD1 LEU A 28 93.959 2.310 4.211 1.00 0.00 C ATOM 724 CD2 LEU A 28 92.756 1.073 6.011 1.00 0.00 C ATOM 0 H LEU A 28 94.504 3.860 8.189 1.00 0.00 H new ATOM 0 HA LEU A 28 94.329 0.929 8.153 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.672 2.888 6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.552 1.156 6.025 1.00 0.00 H new ATOM 0 HG LEU A 28 93.264 3.142 6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 28 93.008 2.446 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.609 3.160 4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.434 1.394 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.821 1.231 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.200 0.129 5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.557 1.041 7.082 1.00 0.00 H new ATOM 736 N ALA A 29 96.535 0.419 9.074 1.00 0.00 N ATOM 737 CA ALA A 29 97.825 0.065 9.640 1.00 0.00 C ATOM 738 C ALA A 29 98.501 -0.988 8.775 1.00 0.00 C ATOM 739 O ALA A 29 97.849 -1.911 8.282 1.00 0.00 O ATOM 740 CB ALA A 29 97.661 -0.437 11.067 1.00 0.00 C ATOM 0 H ALA A 29 95.845 -0.332 9.099 1.00 0.00 H new ATOM 0 HA ALA A 29 98.455 0.954 9.663 1.00 0.00 H new ATOM 0 HB1 ALA A 29 98.637 -0.698 11.475 1.00 0.00 H new ATOM 0 HB2 ALA A 29 97.209 0.344 11.678 1.00 0.00 H new ATOM 0 HB3 ALA A 29 97.019 -1.318 11.071 1.00 0.00 H new ATOM 746 N ALA A 30 99.802 -0.850 8.588 1.00 0.00 N ATOM 747 CA ALA A 30 100.541 -1.760 7.731 1.00 0.00 C ATOM 748 C ALA A 30 101.790 -2.277 8.430 1.00 0.00 C ATOM 749 O ALA A 30 102.500 -1.523 9.095 1.00 0.00 O ATOM 750 CB ALA A 30 100.908 -1.075 6.423 1.00 0.00 C ATOM 0 H ALA A 30 100.368 -0.118 9.017 1.00 0.00 H new ATOM 0 HA ALA A 30 99.900 -2.614 7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 30 101.462 -1.770 5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 30 99.999 -0.762 5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.526 -0.202 6.631 1.00 0.00 H new ATOM 756 N GLY A 31 102.040 -3.564 8.280 1.00 0.00 N ATOM 757 CA GLY A 31 103.226 -4.166 8.845 1.00 0.00 C ATOM 758 C GLY A 31 104.104 -4.756 7.766 1.00 0.00 C ATOM 759 O GLY A 31 103.664 -4.920 6.629 1.00 0.00 O ATOM 0 H GLY A 31 101.436 -4.210 7.771 1.00 0.00 H new ATOM 0 HA2 GLY A 31 103.786 -3.417 9.405 1.00 0.00 H new ATOM 0 HA3 GLY A 31 102.941 -4.945 9.552 1.00 0.00 H new ATOM 763 N ARG A 32 105.340 -5.074 8.102 1.00 0.00 N ATOM 764 CA ARG A 32 106.247 -5.654 7.129 1.00 0.00 C ATOM 765 C ARG A 32 106.546 -7.100 7.470 1.00 0.00 C ATOM 766 O ARG A 32 106.959 -7.411 8.587 1.00 0.00 O ATOM 767 CB ARG A 32 107.562 -4.879 7.058 1.00 0.00 C ATOM 768 CG ARG A 32 107.399 -3.391 6.805 1.00 0.00 C ATOM 769 CD ARG A 32 108.746 -2.733 6.566 1.00 0.00 C ATOM 770 NE ARG A 32 109.213 -2.905 5.189 1.00 0.00 N ATOM 771 CZ ARG A 32 110.379 -3.455 4.850 1.00 0.00 C ATOM 772 NH1 ARG A 32 111.202 -3.919 5.781 1.00 0.00 N ATOM 773 NH2 ARG A 32 110.721 -3.530 3.569 1.00 0.00 N ATOM 0 H ARG A 32 105.737 -4.942 9.032 1.00 0.00 H new ATOM 0 HA ARG A 32 105.753 -5.600 6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 32 108.103 -5.019 7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 32 108.178 -5.305 6.266 1.00 0.00 H new ATOM 0 HG2 ARG A 32 106.754 -3.233 5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 32 106.908 -2.924 7.659 1.00 0.00 H new ATOM 0 HD2 ARG A 32 108.673 -1.669 6.792 1.00 0.00 H new ATOM 0 HD3 ARG A 32 109.481 -3.155 7.252 1.00 0.00 H new ATOM 0 HE ARG A 32 108.604 -2.582 4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 32 110.945 -3.857 6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 32 112.092 -4.338 5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 32 110.093 -3.168 2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 32 111.612 -3.950 3.303 1.00 0.00 H new ATOM 787 N ASN A 33 106.333 -7.978 6.509 1.00 0.00 N ATOM 788 CA ASN A 33 106.749 -9.362 6.648 1.00 0.00 C ATOM 789 C ASN A 33 108.105 -9.499 5.983 1.00 0.00 C ATOM 790 O ASN A 33 108.215 -9.265 4.781 1.00 0.00 O ATOM 791 CB ASN A 33 105.743 -10.335 6.012 1.00 0.00 C ATOM 792 CG ASN A 33 104.347 -10.211 6.596 1.00 0.00 C ATOM 793 OD1 ASN A 33 104.030 -10.816 7.617 1.00 0.00 O ATOM 794 ND2 ASN A 33 103.493 -9.450 5.930 1.00 0.00 N ATOM 0 H ASN A 33 105.875 -7.759 5.624 1.00 0.00 H new ATOM 0 HA ASN A 33 106.801 -9.619 7.706 1.00 0.00 H new ATOM 0 HB2 ASN A 33 105.699 -10.153 4.938 1.00 0.00 H new ATOM 0 HB3 ASN A 33 106.098 -11.356 6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 33 102.533 -9.350 6.261 1.00 0.00 H new ATOM 0 HD22 ASN A 33 103.795 -8.963 5.086 1.00 0.00 H new ATOM 834 N SER A 37 106.033 -10.209 2.211 1.00 0.00 N ATOM 835 CA SER A 37 104.793 -9.553 1.827 1.00 0.00 C ATOM 836 C SER A 37 104.459 -8.417 2.793 1.00 0.00 C ATOM 837 O SER A 37 105.110 -8.259 3.830 1.00 0.00 O ATOM 838 CB SER A 37 103.655 -10.576 1.789 1.00 0.00 C ATOM 839 OG SER A 37 103.639 -11.362 2.970 1.00 0.00 O ATOM 0 HA SER A 37 104.918 -9.124 0.833 1.00 0.00 H new ATOM 0 HB2 SER A 37 102.701 -10.060 1.678 1.00 0.00 H new ATOM 0 HB3 SER A 37 103.771 -11.222 0.919 1.00 0.00 H new ATOM 0 HG SER A 37 104.520 -11.328 3.398 1.00 0.00 H new ATOM 845 N ILE A 38 103.461 -7.624 2.444 1.00 0.00 N ATOM 846 CA ILE A 38 103.014 -6.532 3.296 1.00 0.00 C ATOM 847 C ILE A 38 101.824 -6.973 4.149 1.00 0.00 C ATOM 848 O ILE A 38 100.921 -7.654 3.666 1.00 0.00 O ATOM 849 CB ILE A 38 102.620 -5.294 2.457 1.00 0.00 C ATOM 850 CG1 ILE A 38 103.758 -4.913 1.505 1.00 0.00 C ATOM 851 CG2 ILE A 38 102.272 -4.120 3.367 1.00 0.00 C ATOM 852 CD1 ILE A 38 103.422 -3.764 0.577 1.00 0.00 C ATOM 0 H ILE A 38 102.941 -7.716 1.571 1.00 0.00 H new ATOM 0 HA ILE A 38 103.844 -6.260 3.948 1.00 0.00 H new ATOM 0 HB ILE A 38 101.739 -5.543 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 38 104.637 -4.648 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 38 104.026 -5.784 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 38 101.997 -3.258 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 38 101.435 -4.393 4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 38 103.135 -3.869 3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 38 104.277 -3.553 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 38 102.563 -4.032 -0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 38 103.184 -2.878 1.166 1.00 0.00 H new ATOM 864 N ASP A 39 101.835 -6.598 5.423 1.00 0.00 N ATOM 865 CA ASP A 39 100.740 -6.930 6.329 1.00 0.00 C ATOM 866 C ASP A 39 99.738 -5.784 6.373 1.00 0.00 C ATOM 867 O ASP A 39 100.117 -4.629 6.565 1.00 0.00 O ATOM 868 CB ASP A 39 101.273 -7.218 7.737 1.00 0.00 C ATOM 869 CG ASP A 39 100.167 -7.538 8.729 1.00 0.00 C ATOM 870 OD1 ASP A 39 99.758 -8.718 8.813 1.00 0.00 O ATOM 871 OD2 ASP A 39 99.704 -6.614 9.433 1.00 0.00 O ATOM 0 H ASP A 39 102.590 -6.064 5.853 1.00 0.00 H new ATOM 0 HA ASP A 39 100.242 -7.826 5.959 1.00 0.00 H new ATOM 0 HB2 ASP A 39 101.969 -8.055 7.693 1.00 0.00 H new ATOM 0 HB3 ASP A 39 101.835 -6.354 8.092 1.00 0.00 H new ATOM 876 N TYR A 40 98.466 -6.100 6.196 1.00 0.00 N ATOM 877 CA TYR A 40 97.434 -5.076 6.125 1.00 0.00 C ATOM 878 C TYR A 40 96.425 -5.218 7.256 1.00 0.00 C ATOM 879 O TYR A 40 95.885 -6.299 7.485 1.00 0.00 O ATOM 880 CB TYR A 40 96.709 -5.135 4.779 1.00 0.00 C ATOM 881 CG TYR A 40 97.532 -4.626 3.617 1.00 0.00 C ATOM 882 CD1 TYR A 40 97.582 -3.271 3.330 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.257 -5.495 2.810 1.00 0.00 C ATOM 884 CE1 TYR A 40 98.327 -2.791 2.273 1.00 0.00 C ATOM 885 CE2 TYR A 40 99.007 -5.023 1.748 1.00 0.00 C ATOM 886 CZ TYR A 40 99.039 -3.669 1.486 1.00 0.00 C ATOM 887 OH TYR A 40 99.785 -3.186 0.436 1.00 0.00 O ATOM 0 H TYR A 40 98.122 -7.055 6.099 1.00 0.00 H new ATOM 0 HA TYR A 40 97.929 -4.110 6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.416 -6.166 4.580 1.00 0.00 H new ATOM 0 HB3 TYR A 40 95.792 -4.550 4.846 1.00 0.00 H new ATOM 0 HD1 TYR A 40 97.027 -2.578 3.945 1.00 0.00 H new ATOM 0 HD2 TYR A 40 98.234 -6.555 3.015 1.00 0.00 H new ATOM 0 HE1 TYR A 40 98.352 -1.732 2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 40 99.564 -5.710 1.128 1.00 0.00 H new ATOM 0 HH TYR A 40 100.288 -2.397 0.728 1.00 0.00 H new ATOM 897 N ARG A 41 96.184 -4.125 7.966 1.00 0.00 N ATOM 898 CA ARG A 41 95.154 -4.092 8.993 1.00 0.00 C ATOM 899 C ARG A 41 94.247 -2.888 8.785 1.00 0.00 C ATOM 900 O ARG A 41 94.695 -1.742 8.862 1.00 0.00 O ATOM 901 CB ARG A 41 95.765 -4.041 10.395 1.00 0.00 C ATOM 902 CG ARG A 41 94.717 -4.009 11.498 1.00 0.00 C ATOM 903 CD ARG A 41 95.338 -3.910 12.883 1.00 0.00 C ATOM 904 NE ARG A 41 96.235 -5.029 13.173 1.00 0.00 N ATOM 905 CZ ARG A 41 95.830 -6.233 13.580 1.00 0.00 C ATOM 906 NH1 ARG A 41 94.535 -6.505 13.692 1.00 0.00 N ATOM 907 NH2 ARG A 41 96.729 -7.162 13.863 1.00 0.00 N ATOM 0 H ARG A 41 96.690 -3.247 7.849 1.00 0.00 H new ATOM 0 HA ARG A 41 94.570 -5.008 8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 41 96.408 -4.910 10.537 1.00 0.00 H new ATOM 0 HB3 ARG A 41 96.399 -3.158 10.478 1.00 0.00 H new ATOM 0 HG2 ARG A 41 94.052 -3.160 11.339 1.00 0.00 H new ATOM 0 HG3 ARG A 41 94.105 -4.909 11.440 1.00 0.00 H new ATOM 0 HD2 ARG A 41 95.891 -2.974 12.964 1.00 0.00 H new ATOM 0 HD3 ARG A 41 94.547 -3.879 13.632 1.00 0.00 H new ATOM 0 HE ARG A 41 97.237 -4.878 13.056 1.00 0.00 H new ATOM 0 HH11 ARG A 41 93.843 -5.791 13.466 1.00 0.00 H new ATOM 0 HH12 ARG A 41 94.233 -7.428 14.004 1.00 0.00 H new ATOM 0 HH21 ARG A 41 97.723 -6.955 13.769 1.00 0.00 H new ATOM 0 HH22 ARG A 41 96.428 -8.085 14.175 1.00 0.00 H new ATOM 921 N MET A 42 92.981 -3.147 8.511 1.00 0.00 N ATOM 922 CA MET A 42 92.010 -2.078 8.334 1.00 0.00 C ATOM 923 C MET A 42 91.076 -2.034 9.532 1.00 0.00 C ATOM 924 O MET A 42 90.261 -2.940 9.725 1.00 0.00 O ATOM 925 CB MET A 42 91.204 -2.279 7.047 1.00 0.00 C ATOM 926 CG MET A 42 92.061 -2.454 5.806 1.00 0.00 C ATOM 927 SD MET A 42 91.087 -2.507 4.291 1.00 0.00 S ATOM 928 CE MET A 42 90.048 -3.931 4.601 1.00 0.00 C ATOM 0 H MET A 42 92.600 -4.087 8.406 1.00 0.00 H new ATOM 0 HA MET A 42 92.545 -1.132 8.255 1.00 0.00 H new ATOM 0 HB2 MET A 42 90.566 -3.155 7.163 1.00 0.00 H new ATOM 0 HB3 MET A 42 90.546 -1.422 6.904 1.00 0.00 H new ATOM 0 HG2 MET A 42 92.776 -1.634 5.745 1.00 0.00 H new ATOM 0 HG3 MET A 42 92.638 -3.374 5.895 1.00 0.00 H new ATOM 0 HE1 MET A 42 89.613 -4.275 3.663 1.00 0.00 H new ATOM 0 HE2 MET A 42 90.647 -4.730 5.038 1.00 0.00 H new ATOM 0 HE3 MET A 42 89.250 -3.656 5.291 1.00 0.00 H new ATOM 938 N GLY A 43 91.206 -1.001 10.346 1.00 0.00 N ATOM 939 CA GLY A 43 90.390 -0.904 11.538 1.00 0.00 C ATOM 940 C GLY A 43 89.913 0.504 11.789 1.00 0.00 C ATOM 941 O GLY A 43 90.420 1.453 11.192 1.00 0.00 O ATOM 0 H GLY A 43 91.859 -0.230 10.205 1.00 0.00 H new ATOM 0 HA2 GLY A 43 89.529 -1.566 11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 43 90.963 -1.250 12.398 1.00 0.00 H new ATOM 945 N PHE A 44 88.937 0.647 12.661 1.00 0.00 N ATOM 946 CA PHE A 44 88.425 1.959 13.000 1.00 0.00 C ATOM 947 C PHE A 44 89.167 2.521 14.204 1.00 0.00 C ATOM 948 O PHE A 44 89.359 1.838 15.210 1.00 0.00 O ATOM 949 CB PHE A 44 86.922 1.904 13.265 1.00 0.00 C ATOM 950 CG PHE A 44 86.124 1.503 12.057 1.00 0.00 C ATOM 951 CD1 PHE A 44 85.828 2.430 11.069 1.00 0.00 C ATOM 952 CD2 PHE A 44 85.680 0.200 11.904 1.00 0.00 C ATOM 953 CE1 PHE A 44 85.103 2.065 9.953 1.00 0.00 C ATOM 954 CE2 PHE A 44 84.955 -0.172 10.788 1.00 0.00 C ATOM 955 CZ PHE A 44 84.667 0.762 9.811 1.00 0.00 C ATOM 0 H PHE A 44 88.483 -0.126 13.147 1.00 0.00 H new ATOM 0 HA PHE A 44 88.591 2.623 12.152 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.727 1.198 14.072 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.584 2.882 13.608 1.00 0.00 H new ATOM 0 HD1 PHE A 44 86.169 3.449 11.174 1.00 0.00 H new ATOM 0 HD2 PHE A 44 85.903 -0.533 12.665 1.00 0.00 H new ATOM 0 HE1 PHE A 44 84.877 2.797 9.192 1.00 0.00 H new ATOM 0 HE2 PHE A 44 84.614 -1.191 10.679 1.00 0.00 H new ATOM 0 HZ PHE A 44 84.102 0.473 8.937 1.00 0.00 H new ATOM 965 N ASP A 45 89.591 3.764 14.082 1.00 0.00 N ATOM 966 CA ASP A 45 90.345 4.433 15.127 1.00 0.00 C ATOM 967 C ASP A 45 89.929 5.897 15.153 1.00 0.00 C ATOM 968 O ASP A 45 89.158 6.328 14.292 1.00 0.00 O ATOM 969 CB ASP A 45 91.848 4.295 14.846 1.00 0.00 C ATOM 970 CG ASP A 45 92.707 4.404 16.091 1.00 0.00 C ATOM 971 OD1 ASP A 45 92.302 3.871 17.145 1.00 0.00 O ATOM 972 OD2 ASP A 45 93.803 5.001 16.015 1.00 0.00 O ATOM 0 H ASP A 45 89.423 4.339 13.257 1.00 0.00 H new ATOM 0 HA ASP A 45 90.141 3.982 16.098 1.00 0.00 H new ATOM 0 HB2 ASP A 45 92.034 3.333 14.369 1.00 0.00 H new ATOM 0 HB3 ASP A 45 92.150 5.066 14.137 1.00 0.00 H new ATOM 977 N ASP A 46 90.401 6.662 16.123 1.00 0.00 N ATOM 978 CA ASP A 46 90.053 8.074 16.181 1.00 0.00 C ATOM 979 C ASP A 46 90.895 8.861 15.184 1.00 0.00 C ATOM 980 O ASP A 46 92.070 8.556 14.973 1.00 0.00 O ATOM 981 CB ASP A 46 90.206 8.642 17.600 1.00 0.00 C ATOM 982 CG ASP A 46 91.625 8.584 18.130 1.00 0.00 C ATOM 983 OD1 ASP A 46 92.065 7.488 18.540 1.00 0.00 O ATOM 984 OD2 ASP A 46 92.293 9.638 18.176 1.00 0.00 O ATOM 0 H ASP A 46 91.016 6.338 16.870 1.00 0.00 H new ATOM 0 HA ASP A 46 89.002 8.173 15.910 1.00 0.00 H new ATOM 0 HB2 ASP A 46 89.868 9.678 17.605 1.00 0.00 H new ATOM 0 HB3 ASP A 46 89.553 8.090 18.275 1.00 0.00 H new ATOM 989 N LEU A 47 90.272 9.844 14.547 1.00 0.00 N ATOM 990 CA LEU A 47 90.925 10.628 13.506 1.00 0.00 C ATOM 991 C LEU A 47 92.016 11.513 14.100 1.00 0.00 C ATOM 992 O LEU A 47 91.741 12.406 14.905 1.00 0.00 O ATOM 993 CB LEU A 47 89.877 11.473 12.761 1.00 0.00 C ATOM 994 CG LEU A 47 90.318 12.072 11.414 1.00 0.00 C ATOM 995 CD1 LEU A 47 89.100 12.472 10.597 1.00 0.00 C ATOM 996 CD2 LEU A 47 91.220 13.282 11.612 1.00 0.00 C ATOM 0 H LEU A 47 89.308 10.119 14.735 1.00 0.00 H new ATOM 0 HA LEU A 47 91.399 9.950 12.796 1.00 0.00 H new ATOM 0 HB2 LEU A 47 88.997 10.853 12.588 1.00 0.00 H new ATOM 0 HB3 LEU A 47 89.568 12.289 13.414 1.00 0.00 H new ATOM 0 HG LEU A 47 90.883 11.308 10.880 1.00 0.00 H new ATOM 0 HD11 LEU A 47 89.423 12.895 9.646 1.00 0.00 H new ATOM 0 HD12 LEU A 47 88.481 11.594 10.412 1.00 0.00 H new ATOM 0 HD13 LEU A 47 88.521 13.215 11.146 1.00 0.00 H new ATOM 0 HD21 LEU A 47 91.513 13.680 10.641 1.00 0.00 H new ATOM 0 HD22 LEU A 47 90.683 14.048 12.171 1.00 0.00 H new ATOM 0 HD23 LEU A 47 92.111 12.985 12.166 1.00 0.00 H new ATOM 1008 N THR A 48 93.247 11.249 13.703 1.00 0.00 N ATOM 1009 CA THR A 48 94.381 12.048 14.119 1.00 0.00 C ATOM 1010 C THR A 48 94.781 13.039 13.026 1.00 0.00 C ATOM 1011 O THR A 48 94.714 12.726 11.836 1.00 0.00 O ATOM 1012 CB THR A 48 95.569 11.137 14.459 1.00 0.00 C ATOM 1013 OG1 THR A 48 95.553 9.999 13.590 1.00 0.00 O ATOM 1014 CG2 THR A 48 95.508 10.678 15.906 1.00 0.00 C ATOM 0 H THR A 48 93.487 10.475 13.084 1.00 0.00 H new ATOM 0 HA THR A 48 94.094 12.613 15.006 1.00 0.00 H new ATOM 0 HB THR A 48 96.492 11.700 14.320 1.00 0.00 H new ATOM 0 HG1 THR A 48 96.473 9.736 13.378 1.00 0.00 H new ATOM 0 HG21 THR A 48 96.361 10.034 16.120 1.00 0.00 H new ATOM 0 HG22 THR A 48 95.535 11.546 16.565 1.00 0.00 H new ATOM 0 HG23 THR A 48 94.584 10.124 16.073 1.00 0.00 H new ATOM 1022 N GLU A 49 95.199 14.232 13.435 1.00 0.00 N ATOM 1023 CA GLU A 49 95.560 15.292 12.494 1.00 0.00 C ATOM 1024 C GLU A 49 96.852 14.964 11.749 1.00 0.00 C ATOM 1025 O GLU A 49 97.096 15.476 10.653 1.00 0.00 O ATOM 1026 CB GLU A 49 95.722 16.621 13.233 1.00 0.00 C ATOM 1027 CG GLU A 49 94.452 17.112 13.906 1.00 0.00 C ATOM 1028 CD GLU A 49 94.677 18.379 14.702 1.00 0.00 C ATOM 1029 OE1 GLU A 49 94.906 19.441 14.087 1.00 0.00 O ATOM 1030 OE2 GLU A 49 94.650 18.316 15.947 1.00 0.00 O ATOM 0 H GLU A 49 95.297 14.492 14.416 1.00 0.00 H new ATOM 0 HA GLU A 49 94.754 15.372 11.764 1.00 0.00 H new ATOM 0 HB2 GLU A 49 96.502 16.513 13.987 1.00 0.00 H new ATOM 0 HB3 GLU A 49 96.063 17.378 12.527 1.00 0.00 H new ATOM 0 HG2 GLU A 49 93.689 17.292 13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 49 94.069 16.334 14.566 1.00 0.00 H new ATOM 1037 N ASP A 50 97.667 14.109 12.348 1.00 0.00 N ATOM 1038 CA ASP A 50 98.972 13.760 11.791 1.00 0.00 C ATOM 1039 C ASP A 50 98.834 12.809 10.601 1.00 0.00 C ATOM 1040 O ASP A 50 99.698 12.763 9.720 1.00 0.00 O ATOM 1041 CB ASP A 50 99.843 13.128 12.881 1.00 0.00 C ATOM 1042 CG ASP A 50 101.215 12.719 12.383 1.00 0.00 C ATOM 1043 OD1 ASP A 50 102.128 13.574 12.368 1.00 0.00 O ATOM 1044 OD2 ASP A 50 101.393 11.544 12.015 1.00 0.00 O ATOM 0 H ASP A 50 97.448 13.639 13.227 1.00 0.00 H new ATOM 0 HA ASP A 50 99.447 14.672 11.430 1.00 0.00 H new ATOM 0 HB2 ASP A 50 99.957 13.836 13.702 1.00 0.00 H new ATOM 0 HB3 ASP A 50 99.333 12.253 13.283 1.00 0.00 H new ATOM 1049 N ASP A 51 97.737 12.070 10.571 1.00 0.00 N ATOM 1050 CA ASP A 51 97.498 11.087 9.518 1.00 0.00 C ATOM 1051 C ASP A 51 96.979 11.764 8.258 1.00 0.00 C ATOM 1052 O ASP A 51 96.346 12.821 8.324 1.00 0.00 O ATOM 1053 CB ASP A 51 96.496 10.027 9.986 1.00 0.00 C ATOM 1054 CG ASP A 51 97.061 9.104 11.049 1.00 0.00 C ATOM 1055 OD1 ASP A 51 97.608 9.607 12.054 1.00 0.00 O ATOM 1056 OD2 ASP A 51 96.959 7.871 10.890 1.00 0.00 O ATOM 0 H ASP A 51 96.993 12.130 11.266 1.00 0.00 H new ATOM 0 HA ASP A 51 98.447 10.601 9.291 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.608 10.523 10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 51 96.177 9.433 9.129 1.00 0.00 H new ATOM 1061 N ILE A 52 97.261 11.160 7.112 1.00 0.00 N ATOM 1062 CA ILE A 52 96.806 11.689 5.833 1.00 0.00 C ATOM 1063 C ILE A 52 95.363 11.266 5.575 1.00 0.00 C ATOM 1064 O ILE A 52 95.017 10.094 5.724 1.00 0.00 O ATOM 1065 CB ILE A 52 97.704 11.208 4.668 1.00 0.00 C ATOM 1066 CG1 ILE A 52 99.157 11.633 4.912 1.00 0.00 C ATOM 1067 CG2 ILE A 52 97.201 11.759 3.336 1.00 0.00 C ATOM 1068 CD1 ILE A 52 100.121 11.168 3.841 1.00 0.00 C ATOM 0 H ILE A 52 97.805 10.300 7.042 1.00 0.00 H new ATOM 0 HA ILE A 52 96.867 12.776 5.883 1.00 0.00 H new ATOM 0 HB ILE A 52 97.661 10.120 4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 52 99.201 12.720 4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.483 11.241 5.875 1.00 0.00 H new ATOM 0 HG21 ILE A 52 97.846 11.409 2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 52 96.182 11.414 3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 52 97.215 12.849 3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 52 101.128 11.508 4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 52 100.108 10.079 3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 52 99.822 11.582 2.878 1.00 0.00 H new ATOM 1080 N ARG A 53 94.527 12.221 5.194 1.00 0.00 N ATOM 1081 CA ARG A 53 93.111 11.954 4.993 1.00 0.00 C ATOM 1082 C ARG A 53 92.834 11.508 3.564 1.00 0.00 C ATOM 1083 O ARG A 53 93.286 12.135 2.606 1.00 0.00 O ATOM 1084 CB ARG A 53 92.279 13.198 5.302 1.00 0.00 C ATOM 1085 CG ARG A 53 92.529 13.779 6.680 1.00 0.00 C ATOM 1086 CD ARG A 53 91.618 14.962 6.942 1.00 0.00 C ATOM 1087 NE ARG A 53 91.976 15.673 8.165 1.00 0.00 N ATOM 1088 CZ ARG A 53 91.126 16.416 8.870 1.00 0.00 C ATOM 1089 NH1 ARG A 53 89.852 16.496 8.507 1.00 0.00 N ATOM 1090 NH2 ARG A 53 91.552 17.073 9.939 1.00 0.00 N ATOM 0 H ARG A 53 94.805 13.187 5.018 1.00 0.00 H new ATOM 0 HA ARG A 53 92.830 11.151 5.675 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.492 13.961 4.553 1.00 0.00 H new ATOM 0 HB3 ARG A 53 91.222 12.948 5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 53 92.364 13.013 7.437 1.00 0.00 H new ATOM 0 HG3 ARG A 53 93.570 14.091 6.764 1.00 0.00 H new ATOM 0 HD2 ARG A 53 91.665 15.649 6.097 1.00 0.00 H new ATOM 0 HD3 ARG A 53 90.587 14.616 7.014 1.00 0.00 H new ATOM 0 HE ARG A 53 92.936 15.596 8.500 1.00 0.00 H new ATOM 0 HH11 ARG A 53 89.523 15.988 7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 53 89.202 17.066 9.049 1.00 0.00 H new ATOM 0 HH21 ARG A 53 92.530 17.009 10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 53 90.902 17.643 10.480 1.00 0.00 H new ATOM 1104 N LEU A 54 92.090 10.421 3.435 1.00 0.00 N ATOM 1105 CA LEU A 54 91.661 9.928 2.139 1.00 0.00 C ATOM 1106 C LEU A 54 90.150 9.769 2.114 1.00 0.00 C ATOM 1107 O LEU A 54 89.600 8.852 2.721 1.00 0.00 O ATOM 1108 CB LEU A 54 92.324 8.587 1.815 1.00 0.00 C ATOM 1109 CG LEU A 54 93.838 8.631 1.621 1.00 0.00 C ATOM 1110 CD1 LEU A 54 94.363 7.241 1.307 1.00 0.00 C ATOM 1111 CD2 LEU A 54 94.209 9.605 0.511 1.00 0.00 C ATOM 0 H LEU A 54 91.768 9.859 4.223 1.00 0.00 H new ATOM 0 HA LEU A 54 91.962 10.655 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 54 92.099 7.887 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 54 91.871 8.187 0.908 1.00 0.00 H new ATOM 0 HG LEU A 54 94.298 8.979 2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 54 95.444 7.283 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 54 94.127 6.568 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 54 93.896 6.873 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 54 95.292 9.622 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 54 93.743 9.288 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 54 93.858 10.604 0.771 1.00 0.00 H new ATOM 1123 N THR A 55 89.478 10.679 1.435 1.00 0.00 N ATOM 1124 CA THR A 55 88.041 10.588 1.287 1.00 0.00 C ATOM 1125 C THR A 55 87.693 9.715 0.088 1.00 0.00 C ATOM 1126 O THR A 55 87.909 10.106 -1.063 1.00 0.00 O ATOM 1127 CB THR A 55 87.405 11.978 1.105 1.00 0.00 C ATOM 1128 OG1 THR A 55 87.902 12.878 2.105 1.00 0.00 O ATOM 1129 CG2 THR A 55 85.889 11.892 1.203 1.00 0.00 C ATOM 0 H THR A 55 89.904 11.486 0.979 1.00 0.00 H new ATOM 0 HA THR A 55 87.642 10.142 2.198 1.00 0.00 H new ATOM 0 HB THR A 55 87.671 12.351 0.116 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.495 13.761 1.982 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.459 12.885 1.072 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.511 11.227 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.609 11.502 2.182 1.00 0.00 H new ATOM 1137 N SER A 56 87.188 8.522 0.360 1.00 0.00 N ATOM 1138 CA SER A 56 86.748 7.629 -0.697 1.00 0.00 C ATOM 1139 C SER A 56 85.291 7.927 -1.032 1.00 0.00 C ATOM 1140 O SER A 56 84.820 9.049 -0.826 1.00 0.00 O ATOM 1141 CB SER A 56 86.931 6.168 -0.271 1.00 0.00 C ATOM 1142 OG SER A 56 86.176 5.871 0.890 1.00 0.00 O ATOM 0 H SER A 56 87.073 8.151 1.303 1.00 0.00 H new ATOM 0 HA SER A 56 87.353 7.791 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 56 86.626 5.509 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 56 87.986 5.972 -0.081 1.00 0.00 H new ATOM 0 HG SER A 56 86.585 6.307 1.666 1.00 0.00 H new ATOM 1148 N GLU A 57 84.572 6.939 -1.535 1.00 0.00 N ATOM 1149 CA GLU A 57 83.179 7.129 -1.900 1.00 0.00 C ATOM 1150 C GLU A 57 82.287 6.992 -0.666 1.00 0.00 C ATOM 1151 O GLU A 57 81.449 6.095 -0.579 1.00 0.00 O ATOM 1152 CB GLU A 57 82.771 6.125 -2.982 1.00 0.00 C ATOM 1153 CG GLU A 57 83.689 6.136 -4.197 1.00 0.00 C ATOM 1154 CD GLU A 57 83.888 7.525 -4.772 1.00 0.00 C ATOM 1155 OE1 GLU A 57 82.956 8.049 -5.418 1.00 0.00 O ATOM 1156 OE2 GLU A 57 84.981 8.104 -4.581 1.00 0.00 O ATOM 0 H GLU A 57 84.929 5.998 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 57 83.054 8.134 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 57 82.762 5.123 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 57 81.753 6.343 -3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 57 84.658 5.721 -3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 57 83.273 5.486 -4.966 1.00 0.00 H new ATOM 1163 N GLY A 58 82.509 7.874 0.299 1.00 0.00 N ATOM 1164 CA GLY A 58 81.712 7.882 1.510 1.00 0.00 C ATOM 1165 C GLY A 58 82.538 7.578 2.745 1.00 0.00 C ATOM 1166 O GLY A 58 82.305 8.145 3.814 1.00 0.00 O ATOM 0 H GLY A 58 83.234 8.591 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 58 81.238 8.857 1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 58 80.912 7.147 1.421 1.00 0.00 H new ATOM 1170 N VAL A 59 83.515 6.697 2.596 1.00 0.00 N ATOM 1171 CA VAL A 59 84.333 6.271 3.722 1.00 0.00 C ATOM 1172 C VAL A 59 85.513 7.216 3.928 1.00 0.00 C ATOM 1173 O VAL A 59 86.290 7.476 3.005 1.00 0.00 O ATOM 1174 CB VAL A 59 84.855 4.828 3.529 1.00 0.00 C ATOM 1175 CG1 VAL A 59 85.694 4.389 4.722 1.00 0.00 C ATOM 1176 CG2 VAL A 59 83.698 3.868 3.310 1.00 0.00 C ATOM 0 H VAL A 59 83.761 6.263 1.707 1.00 0.00 H new ATOM 0 HA VAL A 59 83.697 6.295 4.607 1.00 0.00 H new ATOM 0 HB VAL A 59 85.490 4.813 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 59 86.049 3.371 4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.547 5.058 4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 59 85.087 4.423 5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 59 84.084 2.857 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 59 83.036 3.892 4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 59 83.142 4.165 2.421 1.00 0.00 H new ATOM 1186 N GLU A 60 85.629 7.739 5.139 1.00 0.00 N ATOM 1187 CA GLU A 60 86.745 8.596 5.497 1.00 0.00 C ATOM 1188 C GLU A 60 87.898 7.753 6.028 1.00 0.00 C ATOM 1189 O GLU A 60 87.747 7.028 7.016 1.00 0.00 O ATOM 1190 CB GLU A 60 86.305 9.627 6.536 1.00 0.00 C ATOM 1191 CG GLU A 60 87.416 10.552 7.000 1.00 0.00 C ATOM 1192 CD GLU A 60 86.889 11.720 7.803 1.00 0.00 C ATOM 1193 OE1 GLU A 60 86.163 11.489 8.795 1.00 0.00 O ATOM 1194 OE2 GLU A 60 87.170 12.875 7.424 1.00 0.00 O ATOM 0 H GLU A 60 84.960 7.583 5.893 1.00 0.00 H new ATOM 0 HA GLU A 60 87.086 9.129 4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.498 10.228 6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 60 85.897 9.104 7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 60 88.127 9.989 7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 60 87.961 10.926 6.133 1.00 0.00 H new ATOM 1201 N ILE A 61 89.035 7.840 5.355 1.00 0.00 N ATOM 1202 CA ILE A 61 90.201 7.040 5.696 1.00 0.00 C ATOM 1203 C ILE A 61 91.345 7.935 6.168 1.00 0.00 C ATOM 1204 O ILE A 61 91.520 9.041 5.660 1.00 0.00 O ATOM 1205 CB ILE A 61 90.684 6.230 4.473 1.00 0.00 C ATOM 1206 CG1 ILE A 61 89.509 5.507 3.808 1.00 0.00 C ATOM 1207 CG2 ILE A 61 91.757 5.230 4.882 1.00 0.00 C ATOM 1208 CD1 ILE A 61 89.866 4.859 2.489 1.00 0.00 C ATOM 0 H ILE A 61 89.175 8.464 4.561 1.00 0.00 H new ATOM 0 HA ILE A 61 89.911 6.358 6.496 1.00 0.00 H new ATOM 0 HB ILE A 61 91.116 6.925 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.131 4.744 4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 61 88.700 6.219 3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.084 4.669 4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.606 5.762 5.310 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.350 4.542 5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 61 88.986 4.366 2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.216 5.621 1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 61 90.654 4.123 2.647 1.00 0.00 H new ATOM 1220 N VAL A 62 92.105 7.459 7.142 1.00 0.00 N ATOM 1221 CA VAL A 62 93.313 8.145 7.580 1.00 0.00 C ATOM 1222 C VAL A 62 94.497 7.181 7.589 1.00 0.00 C ATOM 1223 O VAL A 62 94.373 6.027 8.010 1.00 0.00 O ATOM 1224 CB VAL A 62 93.153 8.800 8.973 1.00 0.00 C ATOM 1225 CG1 VAL A 62 92.254 10.025 8.888 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.596 7.809 9.984 1.00 0.00 C ATOM 0 H VAL A 62 91.906 6.596 7.647 1.00 0.00 H new ATOM 0 HA VAL A 62 93.499 8.947 6.865 1.00 0.00 H new ATOM 0 HB VAL A 62 94.141 9.112 9.310 1.00 0.00 H new ATOM 0 HG11 VAL A 62 92.153 10.472 9.877 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.693 10.752 8.204 1.00 0.00 H new ATOM 0 HG13 VAL A 62 91.271 9.730 8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 62 92.494 8.297 10.953 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.619 7.458 9.650 1.00 0.00 H new ATOM 0 HG23 VAL A 62 93.275 6.961 10.074 1.00 0.00 H new ATOM 1236 N ILE A 63 95.633 7.649 7.087 1.00 0.00 N ATOM 1237 CA ILE A 63 96.829 6.822 6.987 1.00 0.00 C ATOM 1238 C ILE A 63 98.037 7.530 7.593 1.00 0.00 C ATOM 1239 O ILE A 63 98.371 8.652 7.207 1.00 0.00 O ATOM 1240 CB ILE A 63 97.134 6.456 5.517 1.00 0.00 C ATOM 1241 CG1 ILE A 63 96.008 5.586 4.945 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.477 5.744 5.402 1.00 0.00 C ATOM 1243 CD1 ILE A 63 96.217 5.183 3.502 1.00 0.00 C ATOM 0 H ILE A 63 95.751 8.601 6.741 1.00 0.00 H new ATOM 0 HA ILE A 63 96.635 5.907 7.546 1.00 0.00 H new ATOM 0 HB ILE A 63 97.192 7.377 4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.913 4.686 5.553 1.00 0.00 H new ATOM 0 HG13 ILE A 63 95.066 6.128 5.028 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.669 5.497 4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 63 99.268 6.397 5.772 1.00 0.00 H new ATOM 0 HG23 ILE A 63 98.455 4.829 5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 63 95.379 4.570 3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 63 96.281 6.076 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 63 97.141 4.612 3.414 1.00 0.00 H new ATOM 1255 N ALA A 64 98.679 6.870 8.546 1.00 0.00 N ATOM 1256 CA ALA A 64 99.864 7.414 9.195 1.00 0.00 C ATOM 1257 C ALA A 64 101.064 7.384 8.250 1.00 0.00 C ATOM 1258 O ALA A 64 101.227 6.440 7.469 1.00 0.00 O ATOM 1259 CB ALA A 64 100.170 6.641 10.470 1.00 0.00 C ATOM 0 H ALA A 64 98.397 5.952 8.889 1.00 0.00 H new ATOM 0 HA ALA A 64 99.665 8.453 9.456 1.00 0.00 H new ATOM 0 HB1 ALA A 64 101.058 7.059 10.944 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.324 6.717 11.153 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.347 5.593 10.227 1.00 0.00 H new ATOM 1265 N PRO A 65 101.921 8.421 8.314 1.00 0.00 N ATOM 1266 CA PRO A 65 103.103 8.549 7.448 1.00 0.00 C ATOM 1267 C PRO A 65 103.964 7.287 7.422 1.00 0.00 C ATOM 1268 O PRO A 65 104.519 6.927 6.385 1.00 0.00 O ATOM 1269 CB PRO A 65 103.873 9.709 8.075 1.00 0.00 C ATOM 1270 CG PRO A 65 102.829 10.536 8.737 1.00 0.00 C ATOM 1271 CD PRO A 65 101.792 9.568 9.235 1.00 0.00 C ATOM 0 HA PRO A 65 102.823 8.711 6.407 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.611 9.353 8.793 1.00 0.00 H new ATOM 0 HB3 PRO A 65 104.413 10.281 7.320 1.00 0.00 H new ATOM 0 HG2 PRO A 65 103.251 11.114 9.559 1.00 0.00 H new ATOM 0 HG3 PRO A 65 102.394 11.249 8.037 1.00 0.00 H new ATOM 0 HD2 PRO A 65 101.979 9.276 10.268 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.791 9.999 9.202 1.00 0.00 H new ATOM 1279 N ASP A 66 104.050 6.612 8.562 1.00 0.00 N ATOM 1280 CA ASP A 66 104.837 5.386 8.682 1.00 0.00 C ATOM 1281 C ASP A 66 104.342 4.306 7.724 1.00 0.00 C ATOM 1282 O ASP A 66 105.135 3.552 7.161 1.00 0.00 O ATOM 1283 CB ASP A 66 104.769 4.847 10.114 1.00 0.00 C ATOM 1284 CG ASP A 66 105.373 5.788 11.133 1.00 0.00 C ATOM 1285 OD1 ASP A 66 104.715 6.787 11.485 1.00 0.00 O ATOM 1286 OD2 ASP A 66 106.502 5.527 11.598 1.00 0.00 O ATOM 0 H ASP A 66 103.582 6.894 9.423 1.00 0.00 H new ATOM 0 HA ASP A 66 105.867 5.637 8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 66 103.728 4.658 10.375 1.00 0.00 H new ATOM 0 HB3 ASP A 66 105.288 3.890 10.160 1.00 0.00 H new ATOM 1291 N TYR A 67 103.030 4.250 7.523 1.00 0.00 N ATOM 1292 CA TYR A 67 102.422 3.164 6.762 1.00 0.00 C ATOM 1293 C TYR A 67 102.128 3.588 5.324 1.00 0.00 C ATOM 1294 O TYR A 67 101.788 2.753 4.488 1.00 0.00 O ATOM 1295 CB TYR A 67 101.128 2.709 7.439 1.00 0.00 C ATOM 1296 CG TYR A 67 101.271 2.449 8.923 1.00 0.00 C ATOM 1297 CD1 TYR A 67 102.248 1.589 9.409 1.00 0.00 C ATOM 1298 CD2 TYR A 67 100.422 3.060 9.836 1.00 0.00 C ATOM 1299 CE1 TYR A 67 102.376 1.349 10.763 1.00 0.00 C ATOM 1300 CE2 TYR A 67 100.545 2.826 11.192 1.00 0.00 C ATOM 1301 CZ TYR A 67 101.523 1.969 11.651 1.00 0.00 C ATOM 1302 OH TYR A 67 101.644 1.729 13.001 1.00 0.00 O ATOM 0 H TYR A 67 102.368 4.942 7.875 1.00 0.00 H new ATOM 0 HA TYR A 67 103.132 2.337 6.736 1.00 0.00 H new ATOM 0 HB2 TYR A 67 100.362 3.469 7.285 1.00 0.00 H new ATOM 0 HB3 TYR A 67 100.776 1.799 6.953 1.00 0.00 H new ATOM 0 HD1 TYR A 67 102.918 1.100 8.717 1.00 0.00 H new ATOM 0 HD2 TYR A 67 99.653 3.729 9.480 1.00 0.00 H new ATOM 0 HE1 TYR A 67 103.141 0.678 11.125 1.00 0.00 H new ATOM 0 HE2 TYR A 67 99.878 3.312 11.889 1.00 0.00 H new ATOM 0 HH TYR A 67 100.967 2.245 13.487 1.00 0.00 H new ATOM 1312 N VAL A 68 102.259 4.886 5.057 1.00 0.00 N ATOM 1313 CA VAL A 68 101.971 5.463 3.736 1.00 0.00 C ATOM 1314 C VAL A 68 102.515 4.622 2.573 1.00 0.00 C ATOM 1315 O VAL A 68 101.756 4.222 1.692 1.00 0.00 O ATOM 1316 CB VAL A 68 102.525 6.904 3.631 1.00 0.00 C ATOM 1317 CG1 VAL A 68 102.546 7.395 2.190 1.00 0.00 C ATOM 1318 CG2 VAL A 68 101.699 7.847 4.487 1.00 0.00 C ATOM 0 H VAL A 68 102.567 5.571 5.747 1.00 0.00 H new ATOM 0 HA VAL A 68 100.885 5.474 3.649 1.00 0.00 H new ATOM 0 HB VAL A 68 103.552 6.890 3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 68 102.941 8.410 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 68 103.179 6.740 1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 68 101.533 7.387 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 68 102.099 8.858 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 68 100.664 7.837 4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 68 101.740 7.524 5.527 1.00 0.00 H new ATOM 1328 N SER A 69 103.810 4.334 2.582 1.00 0.00 N ATOM 1329 CA SER A 69 104.454 3.673 1.447 1.00 0.00 C ATOM 1330 C SER A 69 103.949 2.240 1.237 1.00 0.00 C ATOM 1331 O SER A 69 104.054 1.692 0.138 1.00 0.00 O ATOM 1332 CB SER A 69 105.972 3.680 1.632 1.00 0.00 C ATOM 1333 OG SER A 69 106.336 3.174 2.906 1.00 0.00 O ATOM 0 H SER A 69 104.436 4.546 3.359 1.00 0.00 H new ATOM 0 HA SER A 69 104.191 4.236 0.551 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.439 3.078 0.852 1.00 0.00 H new ATOM 0 HB3 SER A 69 106.350 4.696 1.520 1.00 0.00 H new ATOM 0 HG SER A 69 107.312 3.188 2.997 1.00 0.00 H new ATOM 1339 N LEU A 70 103.391 1.642 2.281 1.00 0.00 N ATOM 1340 CA LEU A 70 102.918 0.265 2.204 1.00 0.00 C ATOM 1341 C LEU A 70 101.446 0.215 1.805 1.00 0.00 C ATOM 1342 O LEU A 70 100.967 -0.788 1.278 1.00 0.00 O ATOM 1343 CB LEU A 70 103.119 -0.441 3.546 1.00 0.00 C ATOM 1344 CG LEU A 70 104.570 -0.530 4.024 1.00 0.00 C ATOM 1345 CD1 LEU A 70 104.639 -1.203 5.384 1.00 0.00 C ATOM 1346 CD2 LEU A 70 105.422 -1.286 3.013 1.00 0.00 C ATOM 0 H LEU A 70 103.255 2.086 3.189 1.00 0.00 H new ATOM 0 HA LEU A 70 103.500 -0.250 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 70 102.535 0.081 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 70 102.715 -1.451 3.471 1.00 0.00 H new ATOM 0 HG LEU A 70 104.964 0.482 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 70 105.678 -1.259 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 70 104.063 -0.625 6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.226 -2.209 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 70 106.450 -1.339 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 70 105.029 -2.295 2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 70 105.397 -0.766 2.055 1.00 0.00 H new ATOM 1358 N LEU A 71 100.741 1.311 2.050 1.00 0.00 N ATOM 1359 CA LEU A 71 99.309 1.381 1.781 1.00 0.00 C ATOM 1360 C LEU A 71 99.029 2.155 0.498 1.00 0.00 C ATOM 1361 O LEU A 71 97.878 2.361 0.117 1.00 0.00 O ATOM 1362 CB LEU A 71 98.601 2.051 2.957 1.00 0.00 C ATOM 1363 CG LEU A 71 98.736 1.323 4.295 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.286 2.218 5.432 1.00 0.00 C ATOM 1365 CD2 LEU A 71 97.926 0.039 4.286 1.00 0.00 C ATOM 0 H LEU A 71 101.138 2.168 2.436 1.00 0.00 H new ATOM 0 HA LEU A 71 98.931 0.366 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 71 98.994 3.062 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 71 97.542 2.145 2.718 1.00 0.00 H new ATOM 0 HG LEU A 71 99.786 1.071 4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.388 1.685 6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.903 3.117 5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.243 2.497 5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 71 98.034 -0.466 5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 71 96.875 0.273 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 71 98.287 -0.613 3.491 1.00 0.00 H new ATOM 1377 N ASP A 72 100.088 2.584 -0.163 1.00 0.00 N ATOM 1378 CA ASP A 72 99.955 3.365 -1.381 1.00 0.00 C ATOM 1379 C ASP A 72 99.870 2.455 -2.600 1.00 0.00 C ATOM 1380 O ASP A 72 100.447 1.367 -2.608 1.00 0.00 O ATOM 1381 CB ASP A 72 101.126 4.339 -1.518 1.00 0.00 C ATOM 1382 CG ASP A 72 101.080 5.121 -2.811 1.00 0.00 C ATOM 1383 OD1 ASP A 72 100.041 5.757 -3.086 1.00 0.00 O ATOM 1384 OD2 ASP A 72 102.088 5.099 -3.553 1.00 0.00 O ATOM 0 H ASP A 72 101.051 2.405 0.122 1.00 0.00 H new ATOM 0 HA ASP A 72 99.030 3.939 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 72 101.118 5.033 -0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 72 102.063 3.785 -1.465 1.00 0.00 H new ATOM 1389 N GLN A 73 99.133 2.913 -3.614 1.00 0.00 N ATOM 1390 CA GLN A 73 98.914 2.159 -4.853 1.00 0.00 C ATOM 1391 C GLN A 73 98.162 0.858 -4.591 1.00 0.00 C ATOM 1392 O GLN A 73 98.142 -0.043 -5.428 1.00 0.00 O ATOM 1393 CB GLN A 73 100.239 1.875 -5.569 1.00 0.00 C ATOM 1394 CG GLN A 73 100.951 3.134 -6.036 1.00 0.00 C ATOM 1395 CD GLN A 73 102.189 2.848 -6.859 1.00 0.00 C ATOM 1396 OE1 GLN A 73 102.857 1.831 -6.677 1.00 0.00 O ATOM 1397 NE2 GLN A 73 102.502 3.747 -7.778 1.00 0.00 N ATOM 0 H GLN A 73 98.669 3.821 -3.600 1.00 0.00 H new ATOM 0 HA GLN A 73 98.297 2.780 -5.503 1.00 0.00 H new ATOM 0 HB2 GLN A 73 100.896 1.322 -4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 73 100.049 1.233 -6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 73 100.261 3.736 -6.627 1.00 0.00 H new ATOM 0 HG3 GLN A 73 101.230 3.730 -5.167 1.00 0.00 H new ATOM 0 HE21 GLN A 73 101.922 4.577 -7.898 1.00 0.00 H new ATOM 0 HE22 GLN A 73 103.323 3.610 -8.367 1.00 0.00 H new ATOM 1406 N THR A 74 97.522 0.777 -3.437 1.00 0.00 N ATOM 1407 CA THR A 74 96.759 -0.399 -3.076 1.00 0.00 C ATOM 1408 C THR A 74 95.311 -0.253 -3.529 1.00 0.00 C ATOM 1409 O THR A 74 94.592 0.637 -3.070 1.00 0.00 O ATOM 1410 CB THR A 74 96.801 -0.634 -1.555 1.00 0.00 C ATOM 1411 OG1 THR A 74 98.155 -0.571 -1.094 1.00 0.00 O ATOM 1412 CG2 THR A 74 96.206 -1.987 -1.197 1.00 0.00 C ATOM 0 H THR A 74 97.518 1.516 -2.734 1.00 0.00 H new ATOM 0 HA THR A 74 97.208 -1.257 -3.577 1.00 0.00 H new ATOM 0 HB THR A 74 96.209 0.144 -1.072 1.00 0.00 H new ATOM 0 HG1 THR A 74 98.178 -0.720 -0.126 1.00 0.00 H new ATOM 0 HG21 THR A 74 96.248 -2.129 -0.117 1.00 0.00 H new ATOM 0 HG22 THR A 74 95.168 -2.027 -1.529 1.00 0.00 H new ATOM 0 HG23 THR A 74 96.775 -2.776 -1.689 1.00 0.00 H new ATOM 1420 N THR A 75 94.898 -1.100 -4.453 1.00 0.00 N ATOM 1421 CA THR A 75 93.518 -1.120 -4.899 1.00 0.00 C ATOM 1422 C THR A 75 92.734 -2.139 -4.080 1.00 0.00 C ATOM 1423 O THR A 75 93.067 -3.327 -4.068 1.00 0.00 O ATOM 1424 CB THR A 75 93.422 -1.461 -6.398 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.339 -0.643 -7.137 1.00 0.00 O ATOM 1426 CG2 THR A 75 92.009 -1.237 -6.919 1.00 0.00 C ATOM 0 H THR A 75 95.500 -1.785 -4.910 1.00 0.00 H new ATOM 0 HA THR A 75 93.093 -0.127 -4.753 1.00 0.00 H new ATOM 0 HB THR A 75 93.675 -2.513 -6.528 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.278 -0.862 -8.090 1.00 0.00 H new ATOM 0 HG21 THR A 75 91.969 -1.485 -7.980 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.314 -1.873 -6.371 1.00 0.00 H new ATOM 0 HG23 THR A 75 91.731 -0.192 -6.780 1.00 0.00 H new ATOM 1434 N LEU A 76 91.713 -1.667 -3.385 1.00 0.00 N ATOM 1435 CA LEU A 76 90.940 -2.504 -2.484 1.00 0.00 C ATOM 1436 C LEU A 76 89.548 -2.766 -3.040 1.00 0.00 C ATOM 1437 O LEU A 76 88.784 -1.831 -3.296 1.00 0.00 O ATOM 1438 CB LEU A 76 90.830 -1.832 -1.114 1.00 0.00 C ATOM 1439 CG LEU A 76 89.994 -2.589 -0.080 1.00 0.00 C ATOM 1440 CD1 LEU A 76 90.654 -3.908 0.285 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.778 -1.736 1.157 1.00 0.00 C ATOM 0 H LEU A 76 91.398 -0.698 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 76 91.455 -3.459 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 76 91.834 -1.693 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 76 90.400 -0.839 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 76 89.021 -2.808 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.042 -4.429 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 76 90.752 -4.525 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.642 -3.717 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 76 89.182 -2.290 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.742 -1.484 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 76 89.255 -0.821 0.881 1.00 0.00 H new ATOM 1453 N ASP A 77 89.229 -4.037 -3.226 1.00 0.00 N ATOM 1454 CA ASP A 77 87.898 -4.442 -3.662 1.00 0.00 C ATOM 1455 C ASP A 77 87.554 -5.780 -3.025 1.00 0.00 C ATOM 1456 O ASP A 77 88.426 -6.424 -2.440 1.00 0.00 O ATOM 1457 CB ASP A 77 87.833 -4.541 -5.190 1.00 0.00 C ATOM 1458 CG ASP A 77 86.409 -4.557 -5.718 1.00 0.00 C ATOM 1459 OD1 ASP A 77 85.478 -4.235 -4.949 1.00 0.00 O ATOM 1460 OD2 ASP A 77 86.214 -4.874 -6.910 1.00 0.00 O ATOM 0 H ASP A 77 89.877 -4.812 -3.081 1.00 0.00 H new ATOM 0 HA ASP A 77 87.172 -3.692 -3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 77 88.368 -3.698 -5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 77 88.346 -5.447 -5.513 1.00 0.00 H new ATOM 1465 N TYR A 78 86.302 -6.204 -3.113 1.00 0.00 N ATOM 1466 CA TYR A 78 85.908 -7.475 -2.524 1.00 0.00 C ATOM 1467 C TYR A 78 85.442 -8.445 -3.604 1.00 0.00 C ATOM 1468 O TYR A 78 84.637 -8.097 -4.475 1.00 0.00 O ATOM 1469 CB TYR A 78 84.820 -7.288 -1.453 1.00 0.00 C ATOM 1470 CG TYR A 78 83.440 -6.972 -1.998 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.083 -5.678 -2.341 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.495 -7.979 -2.171 1.00 0.00 C ATOM 1473 CE1 TYR A 78 81.828 -5.393 -2.840 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.239 -7.700 -2.672 1.00 0.00 C ATOM 1475 CZ TYR A 78 80.910 -6.405 -3.006 1.00 0.00 C ATOM 1476 OH TYR A 78 79.661 -6.122 -3.510 1.00 0.00 O ATOM 0 H TYR A 78 85.551 -5.695 -3.579 1.00 0.00 H new ATOM 0 HA TYR A 78 86.784 -7.898 -2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 78 84.760 -8.197 -0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 78 85.124 -6.484 -0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 78 83.799 -4.879 -2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 78 82.748 -8.996 -1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 78 81.567 -4.378 -3.100 1.00 0.00 H new ATOM 0 HE2 TYR A 78 80.518 -8.494 -2.801 1.00 0.00 H new ATOM 0 HH TYR A 78 79.136 -6.947 -3.565 1.00 0.00 H new ATOM 1486 N VAL A 79 85.970 -9.658 -3.554 1.00 0.00 N ATOM 1487 CA VAL A 79 85.591 -10.703 -4.492 1.00 0.00 C ATOM 1488 C VAL A 79 85.473 -12.035 -3.767 1.00 0.00 C ATOM 1489 O VAL A 79 86.091 -12.238 -2.717 1.00 0.00 O ATOM 1490 CB VAL A 79 86.610 -10.853 -5.646 1.00 0.00 C ATOM 1491 CG1 VAL A 79 86.664 -9.596 -6.501 1.00 0.00 C ATOM 1492 CG2 VAL A 79 87.991 -11.188 -5.102 1.00 0.00 C ATOM 0 H VAL A 79 86.668 -9.944 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 79 84.631 -10.413 -4.920 1.00 0.00 H new ATOM 0 HB VAL A 79 86.277 -11.675 -6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 79 87.389 -9.733 -7.303 1.00 0.00 H new ATOM 0 HG12 VAL A 79 85.680 -9.405 -6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 79 86.962 -8.748 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 79 88.693 -11.289 -5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 79 88.324 -10.390 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 79 87.946 -12.125 -4.547 1.00 0.00 H new ATOM 1502 N GLU A 80 84.674 -12.937 -4.311 1.00 0.00 N ATOM 1503 CA GLU A 80 84.570 -14.274 -3.759 1.00 0.00 C ATOM 1504 C GLU A 80 85.783 -15.108 -4.136 1.00 0.00 C ATOM 1505 O GLU A 80 85.794 -15.776 -5.169 1.00 0.00 O ATOM 1506 CB GLU A 80 83.301 -14.982 -4.229 1.00 0.00 C ATOM 1507 CG GLU A 80 82.027 -14.447 -3.607 1.00 0.00 C ATOM 1508 CD GLU A 80 80.810 -15.216 -4.066 1.00 0.00 C ATOM 1509 OE1 GLU A 80 80.306 -14.922 -5.168 1.00 0.00 O ATOM 1510 OE2 GLU A 80 80.363 -16.132 -3.337 1.00 0.00 O ATOM 0 H GLU A 80 84.091 -12.768 -5.131 1.00 0.00 H new ATOM 0 HA GLU A 80 84.525 -14.169 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 80 83.228 -14.893 -5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.385 -16.045 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 80 82.103 -14.501 -2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 80 81.911 -13.395 -3.866 1.00 0.00 H new ATOM 1517 N LEU A 81 86.819 -15.043 -3.311 1.00 0.00 N ATOM 1518 CA LEU A 81 87.963 -15.928 -3.463 1.00 0.00 C ATOM 1519 C LEU A 81 87.560 -17.329 -3.026 1.00 0.00 C ATOM 1520 O LEU A 81 88.217 -18.319 -3.347 1.00 0.00 O ATOM 1521 CB LEU A 81 89.150 -15.419 -2.645 1.00 0.00 C ATOM 1522 CG LEU A 81 89.734 -14.087 -3.124 1.00 0.00 C ATOM 1523 CD1 LEU A 81 90.847 -13.632 -2.199 1.00 0.00 C ATOM 1524 CD2 LEU A 81 90.251 -14.213 -4.550 1.00 0.00 C ATOM 0 H LEU A 81 86.890 -14.388 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 81 88.273 -15.952 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 81 88.838 -15.311 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 81 89.937 -16.173 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 81 88.941 -13.339 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 81 91.251 -12.684 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 81 90.453 -13.504 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 81 91.639 -14.381 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.662 -13.257 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 81 91.030 -14.975 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.432 -14.498 -5.210 1.00 0.00 H new ATOM 1536 N GLU A 82 86.463 -17.381 -2.283 1.00 0.00 N ATOM 1537 CA GLU A 82 85.824 -18.626 -1.901 1.00 0.00 C ATOM 1538 C GLU A 82 84.324 -18.473 -2.092 1.00 0.00 C ATOM 1539 O GLU A 82 83.768 -17.429 -1.751 1.00 0.00 O ATOM 1540 CB GLU A 82 86.115 -18.962 -0.440 1.00 0.00 C ATOM 1541 CG GLU A 82 87.574 -19.249 -0.148 1.00 0.00 C ATOM 1542 CD GLU A 82 87.832 -19.387 1.332 1.00 0.00 C ATOM 1543 OE1 GLU A 82 87.560 -20.466 1.890 1.00 0.00 O ATOM 1544 OE2 GLU A 82 88.299 -18.407 1.945 1.00 0.00 O ATOM 0 H GLU A 82 85.990 -16.551 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 82 86.213 -19.433 -2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.788 -18.131 0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 82 85.521 -19.830 -0.153 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.873 -20.166 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 82 88.190 -18.445 -0.551 1.00 0.00 H new ATOM 1551 N PRO A 83 83.653 -19.484 -2.654 1.00 0.00 N ATOM 1552 CA PRO A 83 82.201 -19.453 -2.834 1.00 0.00 C ATOM 1553 C PRO A 83 81.471 -19.229 -1.511 1.00 0.00 C ATOM 1554 O PRO A 83 81.445 -20.108 -0.647 1.00 0.00 O ATOM 1555 CB PRO A 83 81.874 -20.836 -3.405 1.00 0.00 C ATOM 1556 CG PRO A 83 83.150 -21.310 -4.010 1.00 0.00 C ATOM 1557 CD PRO A 83 84.249 -20.728 -3.166 1.00 0.00 C ATOM 0 HA PRO A 83 81.885 -18.636 -3.482 1.00 0.00 H new ATOM 0 HB2 PRO A 83 81.530 -21.515 -2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 83 81.080 -20.779 -4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 83 83.198 -22.399 -4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 83 83.237 -20.981 -5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 83 84.535 -21.400 -2.357 1.00 0.00 H new ATOM 0 HD3 PRO A 83 85.147 -20.533 -3.752 1.00 0.00 H new ATOM 1565 N GLY A 84 80.909 -18.039 -1.348 1.00 0.00 N ATOM 1566 CA GLY A 84 80.211 -17.713 -0.122 1.00 0.00 C ATOM 1567 C GLY A 84 80.994 -16.760 0.762 1.00 0.00 C ATOM 1568 O GLY A 84 80.454 -16.215 1.723 1.00 0.00 O ATOM 0 H GLY A 84 80.924 -17.294 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 84 79.247 -17.267 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 84 80.008 -18.630 0.430 1.00 0.00 H new ATOM 1572 N GLN A 85 82.265 -16.546 0.439 1.00 0.00 N ATOM 1573 CA GLN A 85 83.104 -15.655 1.232 1.00 0.00 C ATOM 1574 C GLN A 85 83.629 -14.500 0.393 1.00 0.00 C ATOM 1575 O GLN A 85 84.466 -14.689 -0.495 1.00 0.00 O ATOM 1576 CB GLN A 85 84.292 -16.399 1.846 1.00 0.00 C ATOM 1577 CG GLN A 85 83.906 -17.463 2.854 1.00 0.00 C ATOM 1578 CD GLN A 85 85.087 -17.917 3.687 1.00 0.00 C ATOM 1579 OE1 GLN A 85 86.010 -17.146 3.954 1.00 0.00 O ATOM 1580 NE2 GLN A 85 85.061 -19.167 4.110 1.00 0.00 N ATOM 0 H GLN A 85 82.734 -16.973 -0.360 1.00 0.00 H new ATOM 0 HA GLN A 85 82.474 -15.266 2.032 1.00 0.00 H new ATOM 0 HB2 GLN A 85 84.867 -16.864 1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 85 84.948 -15.676 2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 85 83.128 -17.074 3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 85 83.482 -18.320 2.331 1.00 0.00 H new ATOM 0 HE21 GLN A 85 84.277 -19.772 3.866 1.00 0.00 H new ATOM 0 HE22 GLN A 85 85.825 -19.528 4.681 1.00 0.00 H new ATOM 1589 N PHE A 86 83.145 -13.305 0.689 1.00 0.00 N ATOM 1590 CA PHE A 86 83.611 -12.107 0.012 1.00 0.00 C ATOM 1591 C PHE A 86 84.876 -11.597 0.689 1.00 0.00 C ATOM 1592 O PHE A 86 84.825 -11.019 1.775 1.00 0.00 O ATOM 1593 CB PHE A 86 82.529 -11.024 0.020 1.00 0.00 C ATOM 1594 CG PHE A 86 81.262 -11.437 -0.678 1.00 0.00 C ATOM 1595 CD1 PHE A 86 81.121 -11.261 -2.045 1.00 0.00 C ATOM 1596 CD2 PHE A 86 80.214 -12.001 0.032 1.00 0.00 C ATOM 1597 CE1 PHE A 86 79.961 -11.641 -2.690 1.00 0.00 C ATOM 1598 CE2 PHE A 86 79.051 -12.383 -0.608 1.00 0.00 C ATOM 1599 CZ PHE A 86 78.925 -12.202 -1.971 1.00 0.00 C ATOM 0 H PHE A 86 82.428 -13.139 1.395 1.00 0.00 H new ATOM 0 HA PHE A 86 83.834 -12.354 -1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 86 82.297 -10.761 1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 86 82.921 -10.126 -0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 86 81.928 -10.821 -2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 86 80.308 -12.144 1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 86 79.864 -11.499 -3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 86 78.242 -12.822 -0.043 1.00 0.00 H new ATOM 0 HZ PHE A 86 78.017 -12.499 -2.474 1.00 0.00 H new ATOM 1609 N HIS A 87 86.011 -11.835 0.054 1.00 0.00 N ATOM 1610 CA HIS A 87 87.292 -11.442 0.618 1.00 0.00 C ATOM 1611 C HIS A 87 87.757 -10.131 0.018 1.00 0.00 C ATOM 1612 O HIS A 87 87.630 -9.913 -1.188 1.00 0.00 O ATOM 1613 CB HIS A 87 88.361 -12.513 0.370 1.00 0.00 C ATOM 1614 CG HIS A 87 88.157 -13.786 1.136 1.00 0.00 C ATOM 1615 ND1 HIS A 87 88.531 -13.942 2.451 1.00 0.00 N ATOM 1616 CD2 HIS A 87 87.634 -14.975 0.754 1.00 0.00 C ATOM 1617 CE1 HIS A 87 88.248 -15.169 2.845 1.00 0.00 C ATOM 1618 NE2 HIS A 87 87.699 -15.815 1.838 1.00 0.00 N ATOM 0 H HIS A 87 86.072 -12.298 -0.853 1.00 0.00 H new ATOM 0 HA HIS A 87 87.152 -11.325 1.693 1.00 0.00 H new ATOM 0 HB2 HIS A 87 88.385 -12.745 -0.695 1.00 0.00 H new ATOM 0 HB3 HIS A 87 89.337 -12.101 0.628 1.00 0.00 H new ATOM 0 HD2 HIS A 87 87.239 -15.217 -0.222 1.00 0.00 H new ATOM 0 HE1 HIS A 87 88.435 -15.575 3.828 1.00 0.00 H new ATOM 0 HE2 HIS A 87 87.375 -16.782 1.860 1.00 0.00 H new ATOM 1627 N PHE A 88 88.279 -9.261 0.864 1.00 0.00 N ATOM 1628 CA PHE A 88 88.859 -8.012 0.408 1.00 0.00 C ATOM 1629 C PHE A 88 90.243 -8.275 -0.162 1.00 0.00 C ATOM 1630 O PHE A 88 91.081 -8.905 0.489 1.00 0.00 O ATOM 1631 CB PHE A 88 88.950 -7.002 1.555 1.00 0.00 C ATOM 1632 CG PHE A 88 87.615 -6.545 2.068 1.00 0.00 C ATOM 1633 CD1 PHE A 88 86.936 -5.509 1.444 1.00 0.00 C ATOM 1634 CD2 PHE A 88 87.040 -7.147 3.176 1.00 0.00 C ATOM 1635 CE1 PHE A 88 85.709 -5.084 1.917 1.00 0.00 C ATOM 1636 CE2 PHE A 88 85.814 -6.726 3.652 1.00 0.00 C ATOM 1637 CZ PHE A 88 85.146 -5.693 3.020 1.00 0.00 C ATOM 0 H PHE A 88 88.313 -9.398 1.874 1.00 0.00 H new ATOM 0 HA PHE A 88 88.218 -7.591 -0.366 1.00 0.00 H new ATOM 0 HB2 PHE A 88 89.511 -7.449 2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 88 89.516 -6.134 1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 88 87.371 -5.029 0.579 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.557 -7.955 3.673 1.00 0.00 H new ATOM 0 HE1 PHE A 88 85.191 -4.275 1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 88 85.377 -7.203 4.517 1.00 0.00 H new ATOM 0 HZ PHE A 88 84.186 -5.364 3.389 1.00 0.00 H new ATOM 1647 N ILE A 89 90.473 -7.813 -1.376 1.00 0.00 N ATOM 1648 CA ILE A 89 91.748 -8.022 -2.034 1.00 0.00 C ATOM 1649 C ILE A 89 92.526 -6.719 -2.114 1.00 0.00 C ATOM 1650 O ILE A 89 91.973 -5.666 -2.443 1.00 0.00 O ATOM 1651 CB ILE A 89 91.578 -8.610 -3.456 1.00 0.00 C ATOM 1652 CG1 ILE A 89 90.665 -7.725 -4.308 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.030 -10.028 -3.371 1.00 0.00 C ATOM 1654 CD1 ILE A 89 90.514 -8.197 -5.740 1.00 0.00 C ATOM 0 H ILE A 89 89.793 -7.290 -1.927 1.00 0.00 H new ATOM 0 HA ILE A 89 92.302 -8.744 -1.434 1.00 0.00 H new ATOM 0 HB ILE A 89 92.555 -8.641 -3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 89 89.680 -7.683 -3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.060 -6.709 -4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 89 90.914 -10.434 -4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 89 91.722 -10.652 -2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.062 -10.014 -2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 89 89.853 -7.519 -6.279 1.00 0.00 H new ATOM 0 HD12 ILE A 89 91.491 -8.212 -6.223 1.00 0.00 H new ATOM 0 HD13 ILE A 89 90.090 -9.201 -5.749 1.00 0.00 H new ATOM 1666 N PHE A 90 93.806 -6.799 -1.787 1.00 0.00 N ATOM 1667 CA PHE A 90 94.687 -5.648 -1.826 1.00 0.00 C ATOM 1668 C PHE A 90 95.598 -5.737 -3.041 1.00 0.00 C ATOM 1669 O PHE A 90 96.632 -6.405 -3.005 1.00 0.00 O ATOM 1670 CB PHE A 90 95.529 -5.566 -0.548 1.00 0.00 C ATOM 1671 CG PHE A 90 94.722 -5.457 0.716 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.310 -6.594 1.393 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.383 -4.217 1.229 1.00 0.00 C ATOM 1674 CE1 PHE A 90 93.572 -6.494 2.557 1.00 0.00 C ATOM 1675 CE2 PHE A 90 93.646 -4.111 2.392 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.240 -5.250 3.057 1.00 0.00 C ATOM 0 H PHE A 90 94.260 -7.662 -1.488 1.00 0.00 H new ATOM 0 HA PHE A 90 94.077 -4.747 -1.896 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.162 -6.451 -0.486 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.192 -4.704 -0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.569 -7.569 1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 90 94.699 -3.322 0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.255 -7.387 3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 90 93.387 -3.137 2.781 1.00 0.00 H new ATOM 0 HZ PHE A 90 92.664 -5.169 3.967 1.00 0.00 H new ATOM 1686 N LEU A 91 95.200 -5.098 -4.125 1.00 0.00 N ATOM 1687 CA LEU A 91 95.996 -5.106 -5.339 1.00 0.00 C ATOM 1688 C LEU A 91 97.029 -3.995 -5.291 1.00 0.00 C ATOM 1689 O LEU A 91 96.744 -2.839 -5.603 1.00 0.00 O ATOM 1690 CB LEU A 91 95.105 -4.966 -6.572 1.00 0.00 C ATOM 1691 CG LEU A 91 94.126 -6.120 -6.779 1.00 0.00 C ATOM 1692 CD1 LEU A 91 93.149 -5.800 -7.901 1.00 0.00 C ATOM 1693 CD2 LEU A 91 94.876 -7.410 -7.078 1.00 0.00 C ATOM 0 H LEU A 91 94.331 -4.567 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 91 96.516 -6.062 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.541 -4.037 -6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 91 95.738 -4.881 -7.455 1.00 0.00 H new ATOM 0 HG LEU A 91 93.559 -6.256 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 91 92.460 -6.634 -8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 91 92.586 -4.901 -7.648 1.00 0.00 H new ATOM 0 HD13 LEU A 91 93.700 -5.635 -8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 91 94.162 -8.221 -7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 91 95.470 -7.284 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 91 95.534 -7.650 -6.243 1.00 0.00 H new ATOM 1705 N ASN A 92 98.216 -4.362 -4.849 1.00 0.00 N ATOM 1706 CA ASN A 92 99.326 -3.428 -4.725 1.00 0.00 C ATOM 1707 C ASN A 92 100.518 -3.953 -5.516 1.00 0.00 C ATOM 1708 O ASN A 92 100.949 -5.082 -5.304 1.00 0.00 O ATOM 1709 CB ASN A 92 99.706 -3.267 -3.245 1.00 0.00 C ATOM 1710 CG ASN A 92 100.700 -2.142 -2.987 1.00 0.00 C ATOM 1711 OD1 ASN A 92 101.502 -1.780 -3.844 1.00 0.00 O ATOM 1712 ND2 ASN A 92 100.663 -1.596 -1.786 1.00 0.00 N ATOM 0 H ASN A 92 98.442 -5.315 -4.565 1.00 0.00 H new ATOM 0 HA ASN A 92 99.031 -2.456 -5.121 1.00 0.00 H new ATOM 0 HB2 ASN A 92 98.802 -3.081 -2.665 1.00 0.00 H new ATOM 0 HB3 ASN A 92 100.130 -4.204 -2.884 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.314 -0.849 -1.545 1.00 0.00 H new ATOM 0 HD22 ASN A 92 99.983 -1.921 -1.099 1.00 0.00 H new