USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 581 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 51 TYR OH : rot 80:sc= -0.0943 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.673 K(o=-0.77,f=1.6) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 160:sc= -2.01 (180deg=-2.54!) USER MOD Set 2.2: A 35 HIS : no HD1:sc= -2.59! C(o=-4.6!,f=-14!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -4.17! C(o=-4.2!,f=-10!) USER MOD Single : A 31 SER OG : rot -34:sc= 0.805 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -144:sc= -1.84! (180deg=-4.06!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -140:sc= -0.2 USER MOD Single : A 43 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.0014) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 1.2 (180deg=1.03) USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= -0.0234 (180deg=-0.178) USER MOD Single : A 48 LYS NZ :NH3+ -134:sc= -3.06 (180deg=-6.06!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -5:sc= -1.94! USER MOD Single : A 53 GLN : amide:sc= 0.417 X(o=0.42,f=0) USER MOD Single : A 55 GLN : amide:sc= 0.0653 X(o=0.065,f=-0.37) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.17) USER MOD Single : A 61 SER OG : rot -40:sc= 0.0824 USER MOD Single : A 69 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.3) USER MOD Single : A 74 ASN : amide:sc=-0.00955 K(o=-0.0095,f=-0.88) USER MOD Single : A 75 HIS : no HD1:sc= -2.16! C(o=-2.2!,f=-7.5!) USER MOD Single : A 76 THR OG1 : rot -150:sc= -2.3! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -173:sc= -4.33! (180deg=-4.63!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -10.274 7.342 7.110 1.00 0.00 N ATOM 312 CA ILE A 22 -10.382 7.259 5.692 1.00 0.00 C ATOM 313 C ILE A 22 -10.265 5.808 5.272 1.00 0.00 C ATOM 314 O ILE A 22 -9.467 5.054 5.811 1.00 0.00 O ATOM 315 CB ILE A 22 -9.300 8.142 4.990 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.925 7.590 3.610 1.00 0.00 C ATOM 317 CG2 ILE A 22 -8.065 8.288 5.866 1.00 0.00 C ATOM 318 CD1 ILE A 22 -8.075 8.535 2.791 1.00 0.00 C ATOM 0 HA ILE A 22 -11.354 7.644 5.383 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.734 9.131 4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.388 6.650 3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.837 7.364 3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.327 8.907 5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.342 8.758 6.810 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.640 7.304 6.062 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.848 8.078 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.617 9.467 2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.146 8.742 3.322 1.00 0.00 H new ATOM 330 N LYS A 23 -11.090 5.395 4.360 1.00 0.00 N ATOM 331 CA LYS A 23 -11.052 4.036 3.888 1.00 0.00 C ATOM 332 C LYS A 23 -10.322 3.981 2.564 1.00 0.00 C ATOM 333 O LYS A 23 -10.480 4.855 1.733 1.00 0.00 O ATOM 334 CB LYS A 23 -12.474 3.477 3.766 1.00 0.00 C ATOM 335 CG LYS A 23 -13.407 4.326 2.912 1.00 0.00 C ATOM 336 CD LYS A 23 -14.854 3.866 3.032 1.00 0.00 C ATOM 337 CE LYS A 23 -15.016 2.410 2.630 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.433 1.981 2.651 1.00 0.00 N ATOM 0 H LYS A 23 -11.803 5.979 3.923 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.513 3.415 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.423 2.474 3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.901 3.380 4.764 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.330 5.370 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.094 4.274 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.194 4.000 4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.488 4.490 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.608 2.263 1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.437 1.781 3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.497 0.982 2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.816 2.096 3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.982 2.563 1.987 1.00 0.00 H new ATOM 352 N LEU A 24 -9.492 2.988 2.383 1.00 0.00 N ATOM 353 CA LEU A 24 -8.749 2.842 1.142 1.00 0.00 C ATOM 354 C LEU A 24 -8.883 1.439 0.617 1.00 0.00 C ATOM 355 O LEU A 24 -9.144 0.503 1.378 1.00 0.00 O ATOM 356 CB LEU A 24 -7.274 3.171 1.353 1.00 0.00 C ATOM 357 CG LEU A 24 -6.958 4.625 1.689 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.491 4.778 2.009 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.343 5.532 0.530 1.00 0.00 C ATOM 0 H LEU A 24 -9.308 2.263 3.076 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.164 3.540 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.892 2.541 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.728 2.900 0.449 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.539 4.915 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.277 5.820 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.238 4.151 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.897 4.474 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.112 6.566 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.783 5.243 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.411 5.437 0.333 1.00 0.00 H new ATOM 371 N LYS A 25 -8.713 1.267 -0.678 1.00 0.00 N ATOM 372 CA LYS A 25 -8.793 -0.037 -1.250 1.00 0.00 C ATOM 373 C LYS A 25 -7.595 -0.327 -2.122 1.00 0.00 C ATOM 374 O LYS A 25 -7.213 0.466 -2.991 1.00 0.00 O ATOM 375 CB LYS A 25 -10.105 -0.238 -2.020 1.00 0.00 C ATOM 376 CG LYS A 25 -10.132 -1.508 -2.865 1.00 0.00 C ATOM 377 CD LYS A 25 -9.989 -1.204 -4.350 1.00 0.00 C ATOM 378 CE LYS A 25 -11.339 -0.834 -4.998 1.00 0.00 C ATOM 379 NZ LYS A 25 -11.966 0.401 -4.415 1.00 0.00 N ATOM 0 H LYS A 25 -8.520 2.017 -1.341 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.786 -0.753 -0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.932 -0.267 -1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.271 0.623 -2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.326 -2.171 -2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.068 -2.040 -2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.285 -0.383 -4.486 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.569 -2.072 -4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.191 -0.686 -6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.029 -1.670 -4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.663 0.786 -5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.441 0.161 -3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.229 1.113 -4.235 1.00 0.00 H new ATOM 393 N VAL A 26 -6.997 -1.457 -1.880 1.00 0.00 N ATOM 394 CA VAL A 26 -5.886 -1.903 -2.661 1.00 0.00 C ATOM 395 C VAL A 26 -6.394 -2.869 -3.711 1.00 0.00 C ATOM 396 O VAL A 26 -7.160 -3.780 -3.402 1.00 0.00 O ATOM 397 CB VAL A 26 -4.812 -2.587 -1.783 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.718 -3.178 -2.648 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.229 -1.599 -0.787 1.00 0.00 C ATOM 0 H VAL A 26 -7.269 -2.095 -1.132 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.416 -1.040 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.286 -3.396 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.971 -3.655 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.148 -3.918 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.247 -2.386 -3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.475 -2.098 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.770 -0.769 -1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.023 -1.220 -0.143 1.00 0.00 H new ATOM 409 N ILE A 27 -6.001 -2.664 -4.946 1.00 0.00 N ATOM 410 CA ILE A 27 -6.456 -3.501 -6.031 1.00 0.00 C ATOM 411 C ILE A 27 -5.269 -3.971 -6.866 1.00 0.00 C ATOM 412 O ILE A 27 -4.257 -3.291 -6.955 1.00 0.00 O ATOM 413 CB ILE A 27 -7.487 -2.747 -6.922 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.047 -3.664 -8.016 1.00 0.00 C ATOM 415 CG2 ILE A 27 -6.868 -1.496 -7.531 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.115 -3.014 -8.864 1.00 0.00 C ATOM 0 H ILE A 27 -5.363 -1.919 -5.226 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.954 -4.373 -5.606 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.316 -2.440 -6.284 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.230 -3.987 -8.661 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.459 -4.560 -7.551 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.608 -0.988 -8.149 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.539 -0.828 -6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.013 -1.776 -8.146 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.464 -3.722 -9.616 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.951 -2.716 -8.231 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.702 -2.134 -9.358 1.00 0.00 H new ATOM 428 N GLY A 28 -5.383 -5.145 -7.456 1.00 0.00 N ATOM 429 CA GLY A 28 -4.312 -5.665 -8.269 1.00 0.00 C ATOM 430 C GLY A 28 -4.803 -6.099 -9.621 1.00 0.00 C ATOM 431 O GLY A 28 -6.011 -6.160 -9.851 1.00 0.00 O ATOM 0 H GLY A 28 -6.202 -5.749 -7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.542 -4.902 -8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.847 -6.510 -7.762 1.00 0.00 H new ATOM 435 N GLN A 29 -3.884 -6.423 -10.532 1.00 0.00 N ATOM 436 CA GLN A 29 -4.266 -6.874 -11.881 1.00 0.00 C ATOM 437 C GLN A 29 -5.025 -8.198 -11.812 1.00 0.00 C ATOM 438 O GLN A 29 -5.657 -8.624 -12.770 1.00 0.00 O ATOM 439 CB GLN A 29 -3.039 -7.033 -12.798 1.00 0.00 C ATOM 440 CG GLN A 29 -2.225 -8.310 -12.569 1.00 0.00 C ATOM 441 CD GLN A 29 -1.273 -8.214 -11.404 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.134 -7.812 -11.564 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.721 -8.616 -10.234 1.00 0.00 N ATOM 0 H GLN A 29 -2.878 -6.384 -10.368 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.913 -6.106 -12.304 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.374 -7.014 -13.835 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.385 -6.172 -12.658 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.909 -9.142 -12.402 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.660 -8.538 -13.473 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.682 -8.946 -10.142 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.107 -8.598 -9.419 1.00 0.00 H new ATOM 452 N ASP A 30 -4.961 -8.840 -10.657 1.00 0.00 N ATOM 453 CA ASP A 30 -5.619 -10.115 -10.429 1.00 0.00 C ATOM 454 C ASP A 30 -7.108 -9.901 -10.112 1.00 0.00 C ATOM 455 O ASP A 30 -7.831 -10.835 -9.786 1.00 0.00 O ATOM 456 CB ASP A 30 -4.907 -10.836 -9.270 1.00 0.00 C ATOM 457 CG ASP A 30 -5.485 -12.197 -8.946 1.00 0.00 C ATOM 458 OD1 ASP A 30 -5.429 -13.093 -9.804 1.00 0.00 O ATOM 459 OD2 ASP A 30 -5.968 -12.380 -7.813 1.00 0.00 O ATOM 0 H ASP A 30 -4.449 -8.489 -9.848 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.559 -10.729 -11.327 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.852 -10.950 -9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.958 -10.209 -8.380 1.00 0.00 H new ATOM 464 N SER A 31 -7.555 -8.640 -10.217 1.00 0.00 N ATOM 465 CA SER A 31 -8.940 -8.253 -9.929 1.00 0.00 C ATOM 466 C SER A 31 -9.223 -8.365 -8.433 1.00 0.00 C ATOM 467 O SER A 31 -10.366 -8.241 -7.982 1.00 0.00 O ATOM 468 CB SER A 31 -9.936 -9.100 -10.753 1.00 0.00 C ATOM 469 OG SER A 31 -11.278 -8.716 -10.502 1.00 0.00 O ATOM 0 H SER A 31 -6.963 -7.861 -10.505 1.00 0.00 H new ATOM 0 HA SER A 31 -9.075 -7.212 -10.223 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.717 -8.989 -11.815 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.807 -10.155 -10.509 1.00 0.00 H new ATOM 0 HG SER A 31 -11.370 -8.440 -9.566 1.00 0.00 H new ATOM 475 N SER A 32 -8.173 -8.559 -7.662 1.00 0.00 N ATOM 476 CA SER A 32 -8.290 -8.683 -6.236 1.00 0.00 C ATOM 477 C SER A 32 -8.294 -7.303 -5.614 1.00 0.00 C ATOM 478 O SER A 32 -7.553 -6.415 -6.044 1.00 0.00 O ATOM 479 CB SER A 32 -7.133 -9.522 -5.681 1.00 0.00 C ATOM 480 OG SER A 32 -7.370 -9.913 -4.332 1.00 0.00 O ATOM 0 H SER A 32 -7.218 -8.634 -8.012 1.00 0.00 H new ATOM 0 HA SER A 32 -9.224 -9.188 -5.989 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.997 -10.409 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.207 -8.949 -5.737 1.00 0.00 H new ATOM 0 HG SER A 32 -6.615 -10.448 -4.009 1.00 0.00 H new ATOM 486 N GLU A 33 -9.124 -7.118 -4.619 1.00 0.00 N ATOM 487 CA GLU A 33 -9.234 -5.850 -3.958 1.00 0.00 C ATOM 488 C GLU A 33 -9.548 -6.013 -2.489 1.00 0.00 C ATOM 489 O GLU A 33 -10.327 -6.880 -2.088 1.00 0.00 O ATOM 490 CB GLU A 33 -10.266 -4.962 -4.640 1.00 0.00 C ATOM 491 CG GLU A 33 -11.658 -5.546 -4.712 1.00 0.00 C ATOM 492 CD GLU A 33 -12.640 -4.571 -5.299 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.107 -3.679 -4.558 1.00 0.00 O ATOM 494 OE2 GLU A 33 -12.940 -4.674 -6.510 1.00 0.00 O ATOM 0 H GLU A 33 -9.739 -7.842 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.264 -5.359 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.313 -4.011 -4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.926 -4.745 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.641 -6.454 -5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.984 -5.834 -3.713 1.00 0.00 H new ATOM 501 N ILE A 34 -8.927 -5.186 -1.686 1.00 0.00 N ATOM 502 CA ILE A 34 -9.117 -5.198 -0.253 1.00 0.00 C ATOM 503 C ILE A 34 -9.408 -3.793 0.247 1.00 0.00 C ATOM 504 O ILE A 34 -8.703 -2.844 -0.095 1.00 0.00 O ATOM 505 CB ILE A 34 -7.871 -5.756 0.474 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.596 -5.138 -0.113 1.00 0.00 C ATOM 507 CG2 ILE A 34 -7.834 -7.276 0.390 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.314 -5.648 0.503 1.00 0.00 C ATOM 0 H ILE A 34 -8.268 -4.478 -2.010 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.964 -5.848 -0.035 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.929 -5.484 1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.572 -5.333 -1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.640 -4.056 0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.950 -7.648 0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.728 -7.688 0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.798 -7.582 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.463 -5.159 0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.311 -5.428 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.242 -6.725 0.354 1.00 0.00 H new ATOM 520 N HIS A 35 -10.454 -3.647 1.032 1.00 0.00 N ATOM 521 CA HIS A 35 -10.831 -2.342 1.565 1.00 0.00 C ATOM 522 C HIS A 35 -10.492 -2.278 3.040 1.00 0.00 C ATOM 523 O HIS A 35 -10.971 -3.089 3.834 1.00 0.00 O ATOM 524 CB HIS A 35 -12.337 -2.067 1.364 1.00 0.00 C ATOM 525 CG HIS A 35 -12.797 -2.059 -0.075 1.00 0.00 C ATOM 526 ND1 HIS A 35 -13.611 -1.081 -0.605 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.586 -2.944 -1.080 1.00 0.00 C ATOM 528 CE1 HIS A 35 -13.889 -1.369 -1.861 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.277 -2.493 -2.174 1.00 0.00 N ATOM 0 H HIS A 35 -11.063 -4.413 1.319 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.272 -1.579 1.023 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.905 -2.822 1.907 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.578 -1.103 1.812 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -11.984 -3.839 -1.028 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.512 -0.784 -2.521 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.312 -2.953 -3.084 1.00 0.00 H new ATOM 538 N PHE A 36 -9.662 -1.331 3.418 1.00 0.00 N ATOM 539 CA PHE A 36 -9.253 -1.199 4.802 1.00 0.00 C ATOM 540 C PHE A 36 -9.564 0.176 5.354 1.00 0.00 C ATOM 541 O PHE A 36 -9.668 1.159 4.616 1.00 0.00 O ATOM 542 CB PHE A 36 -7.769 -1.522 4.972 1.00 0.00 C ATOM 543 CG PHE A 36 -7.468 -2.993 4.969 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.571 -3.730 6.139 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.088 -3.640 3.807 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.300 -5.084 6.148 1.00 0.00 C ATOM 547 CE2 PHE A 36 -6.814 -4.993 3.811 1.00 0.00 C ATOM 548 CZ PHE A 36 -6.920 -5.716 4.981 1.00 0.00 C ATOM 0 H PHE A 36 -9.256 -0.640 2.787 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.831 -1.924 5.375 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.208 -1.044 4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.417 -1.090 5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.867 -3.239 7.054 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.005 -3.081 2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.385 -5.647 7.066 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.516 -5.486 2.897 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.706 -6.775 4.984 1.00 0.00 H new ATOM 558 N LYS A 37 -9.715 0.239 6.657 1.00 0.00 N ATOM 559 CA LYS A 37 -10.028 1.474 7.338 1.00 0.00 C ATOM 560 C LYS A 37 -8.772 2.050 7.959 1.00 0.00 C ATOM 561 O LYS A 37 -8.238 1.516 8.939 1.00 0.00 O ATOM 562 CB LYS A 37 -11.091 1.227 8.402 1.00 0.00 C ATOM 563 CG LYS A 37 -11.790 2.487 8.881 1.00 0.00 C ATOM 564 CD LYS A 37 -13.284 2.254 9.027 1.00 0.00 C ATOM 565 CE LYS A 37 -13.930 1.984 7.673 1.00 0.00 C ATOM 566 NZ LYS A 37 -15.356 1.597 7.804 1.00 0.00 N ATOM 0 H LYS A 37 -9.624 -0.567 7.276 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.421 2.193 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.837 0.539 8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.627 0.734 9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.371 2.799 9.838 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.611 3.298 8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.460 1.409 9.693 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.748 3.126 9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.852 2.875 7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.384 1.190 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.756 1.423 6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.430 0.732 8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.883 2.365 8.267 1.00 0.00 H new ATOM 580 N VAL A 38 -8.294 3.134 7.400 1.00 0.00 N ATOM 581 CA VAL A 38 -7.060 3.734 7.836 1.00 0.00 C ATOM 582 C VAL A 38 -7.299 5.120 8.413 1.00 0.00 C ATOM 583 O VAL A 38 -8.424 5.629 8.402 1.00 0.00 O ATOM 584 CB VAL A 38 -6.043 3.809 6.667 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.831 2.434 6.065 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.489 4.803 5.596 1.00 0.00 C ATOM 0 H VAL A 38 -8.750 3.624 6.630 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.644 3.103 8.622 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.096 4.166 7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.115 2.502 5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.446 1.758 6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.779 2.052 5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.752 4.828 4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.454 4.495 5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.580 5.796 6.036 1.00 0.00 H new ATOM 622 N MET A 40 -5.296 9.170 8.986 1.00 0.00 N ATOM 623 CA MET A 40 -4.720 10.174 8.112 1.00 0.00 C ATOM 624 C MET A 40 -3.257 9.852 7.816 1.00 0.00 C ATOM 625 O MET A 40 -2.776 10.013 6.695 1.00 0.00 O ATOM 626 CB MET A 40 -4.839 11.560 8.753 1.00 0.00 C ATOM 627 CG MET A 40 -4.371 12.720 7.883 1.00 0.00 C ATOM 628 SD MET A 40 -5.620 13.309 6.703 1.00 0.00 S ATOM 629 CE MET A 40 -5.747 11.940 5.550 1.00 0.00 C ATOM 0 HA MET A 40 -5.270 10.172 7.171 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.881 11.728 9.025 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.263 11.565 9.678 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.076 13.548 8.527 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.482 12.412 7.332 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.910 12.326 4.544 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.825 11.359 5.572 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.584 11.302 5.834 1.00 0.00 H new ATOM 639 N THR A 41 -2.556 9.367 8.818 1.00 0.00 N ATOM 640 CA THR A 41 -1.138 9.098 8.700 1.00 0.00 C ATOM 641 C THR A 41 -0.809 7.593 8.705 1.00 0.00 C ATOM 642 O THR A 41 0.280 7.189 9.116 1.00 0.00 O ATOM 643 CB THR A 41 -0.380 9.804 9.832 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.965 9.450 11.096 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.449 11.312 9.651 1.00 0.00 C ATOM 0 H THR A 41 -2.950 9.149 9.733 1.00 0.00 H new ATOM 0 HA THR A 41 -0.819 9.487 7.733 1.00 0.00 H new ATOM 0 HB THR A 41 0.663 9.489 9.807 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.479 9.900 11.819 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.093 11.801 10.461 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.001 11.585 8.697 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.491 11.633 9.666 1.00 0.00 H new ATOM 653 N THR A 42 -1.733 6.763 8.236 1.00 0.00 N ATOM 654 CA THR A 42 -1.493 5.323 8.168 1.00 0.00 C ATOM 655 C THR A 42 -0.477 4.978 7.083 1.00 0.00 C ATOM 656 O THR A 42 -0.712 5.217 5.897 1.00 0.00 O ATOM 657 CB THR A 42 -2.793 4.540 7.890 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.733 4.776 8.936 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.516 3.044 7.798 1.00 0.00 C ATOM 0 H THR A 42 -2.650 7.057 7.899 1.00 0.00 H new ATOM 0 HA THR A 42 -1.100 5.033 9.142 1.00 0.00 H new ATOM 0 HB THR A 42 -3.200 4.884 6.939 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.199 3.941 9.151 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.447 2.513 7.602 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.812 2.853 6.988 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.090 2.694 8.739 1.00 0.00 H new ATOM 667 N HIS A 43 0.669 4.435 7.486 1.00 0.00 N ATOM 668 CA HIS A 43 1.657 3.981 6.522 1.00 0.00 C ATOM 669 C HIS A 43 1.155 2.707 5.835 1.00 0.00 C ATOM 670 O HIS A 43 1.139 1.617 6.412 1.00 0.00 O ATOM 671 CB HIS A 43 3.059 3.799 7.157 1.00 0.00 C ATOM 672 CG HIS A 43 3.086 3.099 8.488 1.00 0.00 C ATOM 673 ND1 HIS A 43 3.660 3.646 9.611 1.00 0.00 N ATOM 674 CD2 HIS A 43 2.635 1.883 8.859 1.00 0.00 C ATOM 675 CE1 HIS A 43 3.566 2.796 10.610 1.00 0.00 C ATOM 676 NE2 HIS A 43 2.948 1.716 10.183 1.00 0.00 N ATOM 0 H HIS A 43 0.931 4.301 8.463 1.00 0.00 H new ATOM 0 HA HIS A 43 1.782 4.754 5.764 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.683 3.240 6.460 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.515 4.782 7.275 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.122 1.172 8.229 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.934 2.957 11.612 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.737 0.891 10.744 1.00 0.00 H new ATOM 685 N LEU A 44 0.736 2.862 4.601 1.00 0.00 N ATOM 686 CA LEU A 44 0.069 1.802 3.844 1.00 0.00 C ATOM 687 C LEU A 44 0.963 0.627 3.493 1.00 0.00 C ATOM 688 O LEU A 44 0.475 -0.400 3.032 1.00 0.00 O ATOM 689 CB LEU A 44 -0.543 2.369 2.578 1.00 0.00 C ATOM 690 CG LEU A 44 -1.576 3.463 2.788 1.00 0.00 C ATOM 691 CD1 LEU A 44 -2.093 3.951 1.457 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.720 2.964 3.659 1.00 0.00 C ATOM 0 H LEU A 44 0.845 3.732 4.080 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.704 1.411 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.258 2.764 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.009 1.554 2.023 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.099 4.297 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.833 4.735 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.266 4.349 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.554 3.122 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.448 3.763 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.201 2.114 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.331 2.657 4.630 1.00 0.00 H new ATOM 704 N LYS A 45 2.255 0.750 3.691 1.00 0.00 N ATOM 705 CA LYS A 45 3.157 -0.345 3.368 1.00 0.00 C ATOM 706 C LYS A 45 2.818 -1.579 4.193 1.00 0.00 C ATOM 707 O LYS A 45 2.859 -2.704 3.696 1.00 0.00 O ATOM 708 CB LYS A 45 4.611 0.074 3.576 1.00 0.00 C ATOM 709 CG LYS A 45 5.649 -0.952 3.102 1.00 0.00 C ATOM 710 CD LYS A 45 5.970 -2.012 4.153 1.00 0.00 C ATOM 711 CE LYS A 45 6.504 -1.398 5.433 1.00 0.00 C ATOM 712 NZ LYS A 45 7.070 -2.419 6.345 1.00 0.00 N ATOM 0 H LYS A 45 2.706 1.583 4.069 1.00 0.00 H new ATOM 0 HA LYS A 45 3.029 -0.598 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.783 1.013 3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.771 0.268 4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.280 -1.443 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.567 -0.431 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.071 -2.587 4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.705 -2.710 3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.272 -0.664 5.190 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.701 -0.863 5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.558 -1.948 7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.303 -3.014 6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.747 -3.013 5.824 1.00 0.00 H new ATOM 726 N LYS A 46 2.437 -1.368 5.446 1.00 0.00 N ATOM 727 CA LYS A 46 2.103 -2.472 6.330 1.00 0.00 C ATOM 728 C LYS A 46 0.798 -3.137 5.867 1.00 0.00 C ATOM 729 O LYS A 46 0.571 -4.326 6.099 1.00 0.00 O ATOM 730 CB LYS A 46 1.976 -1.980 7.784 1.00 0.00 C ATOM 731 CG LYS A 46 2.537 -2.946 8.839 1.00 0.00 C ATOM 732 CD LYS A 46 1.789 -4.278 8.883 1.00 0.00 C ATOM 733 CE LYS A 46 0.357 -4.116 9.380 1.00 0.00 C ATOM 734 NZ LYS A 46 0.303 -3.640 10.784 1.00 0.00 N ATOM 0 H LYS A 46 2.352 -0.444 5.870 1.00 0.00 H new ATOM 0 HA LYS A 46 2.905 -3.210 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.491 -1.024 7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.924 -1.797 8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.590 -3.133 8.629 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.486 -2.474 9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.779 -4.720 7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.322 -4.971 9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.171 -3.411 8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.164 -5.070 9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.659 -3.768 11.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.974 -4.186 11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.556 -2.632 10.819 1.00 0.00 H new ATOM 748 N LEU A 47 -0.051 -2.373 5.180 1.00 0.00 N ATOM 749 CA LEU A 47 -1.296 -2.906 4.659 1.00 0.00 C ATOM 750 C LEU A 47 -0.948 -3.849 3.523 1.00 0.00 C ATOM 751 O LEU A 47 -1.478 -4.956 3.416 1.00 0.00 O ATOM 752 CB LEU A 47 -2.204 -1.752 4.155 1.00 0.00 C ATOM 753 CG LEU A 47 -3.671 -2.107 3.798 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.474 -0.845 3.548 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.749 -3.006 2.573 1.00 0.00 C ATOM 0 H LEU A 47 0.106 -1.386 4.975 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.843 -3.438 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.221 -0.977 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.737 -1.317 3.271 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.090 -2.647 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.501 -1.111 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.467 -0.226 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.032 -0.290 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.792 -3.233 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.301 -2.497 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.209 -3.933 2.767 1.00 0.00 H new ATOM 767 N LYS A 48 -0.019 -3.412 2.688 1.00 0.00 N ATOM 768 CA LYS A 48 0.429 -4.199 1.564 1.00 0.00 C ATOM 769 C LYS A 48 1.107 -5.475 2.038 1.00 0.00 C ATOM 770 O LYS A 48 0.893 -6.539 1.468 1.00 0.00 O ATOM 771 CB LYS A 48 1.357 -3.387 0.659 1.00 0.00 C ATOM 772 CG LYS A 48 0.629 -2.473 -0.330 1.00 0.00 C ATOM 773 CD LYS A 48 -0.299 -1.492 0.365 1.00 0.00 C ATOM 774 CE LYS A 48 -0.868 -0.480 -0.605 1.00 0.00 C ATOM 775 NZ LYS A 48 0.196 0.352 -1.214 1.00 0.00 N ATOM 0 H LYS A 48 0.440 -2.505 2.774 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.446 -4.478 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.013 -2.779 1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.993 -4.074 0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.362 -1.921 -0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.054 -3.082 -1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.113 -2.037 0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.244 -0.974 1.155 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.419 -0.998 -1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.580 0.162 -0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.089 1.352 -1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.080 0.231 -0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.345 0.058 -2.200 1.00 0.00 H new ATOM 789 N GLU A 49 1.951 -5.375 3.074 1.00 0.00 N ATOM 790 CA GLU A 49 2.549 -6.568 3.675 1.00 0.00 C ATOM 791 C GLU A 49 1.482 -7.564 4.104 1.00 0.00 C ATOM 792 O GLU A 49 1.625 -8.770 3.907 1.00 0.00 O ATOM 793 CB GLU A 49 3.411 -6.209 4.874 1.00 0.00 C ATOM 794 CG GLU A 49 4.662 -5.443 4.527 1.00 0.00 C ATOM 795 CD GLU A 49 5.537 -5.224 5.729 1.00 0.00 C ATOM 796 OE1 GLU A 49 5.273 -4.280 6.494 1.00 0.00 O ATOM 797 OE2 GLU A 49 6.497 -5.996 5.918 1.00 0.00 O ATOM 0 H GLU A 49 2.230 -4.494 3.506 1.00 0.00 H new ATOM 0 HA GLU A 49 3.177 -7.027 2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.817 -5.617 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.692 -7.125 5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.221 -5.987 3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.390 -4.480 4.096 1.00 0.00 H new ATOM 804 N SER A 50 0.409 -7.072 4.687 1.00 0.00 N ATOM 805 CA SER A 50 -0.669 -7.934 5.113 1.00 0.00 C ATOM 806 C SER A 50 -1.338 -8.557 3.884 1.00 0.00 C ATOM 807 O SER A 50 -1.785 -9.703 3.910 1.00 0.00 O ATOM 808 CB SER A 50 -1.684 -7.148 5.953 1.00 0.00 C ATOM 809 OG SER A 50 -2.540 -8.021 6.675 1.00 0.00 O ATOM 0 H SER A 50 0.262 -6.080 4.876 1.00 0.00 H new ATOM 0 HA SER A 50 -0.269 -8.732 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.156 -6.495 6.648 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.279 -6.507 5.303 1.00 0.00 H new ATOM 0 HG SER A 50 -3.175 -7.494 7.203 1.00 0.00 H new ATOM 815 N TYR A 51 -1.364 -7.801 2.793 1.00 0.00 N ATOM 816 CA TYR A 51 -1.930 -8.248 1.537 1.00 0.00 C ATOM 817 C TYR A 51 -1.067 -9.327 0.884 1.00 0.00 C ATOM 818 O TYR A 51 -1.582 -10.350 0.450 1.00 0.00 O ATOM 819 CB TYR A 51 -2.121 -7.047 0.600 1.00 0.00 C ATOM 820 CG TYR A 51 -2.018 -7.368 -0.870 1.00 0.00 C ATOM 821 CD1 TYR A 51 -3.089 -7.901 -1.567 1.00 0.00 C ATOM 822 CD2 TYR A 51 -0.838 -7.133 -1.556 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.988 -8.194 -2.911 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.726 -7.422 -2.898 1.00 0.00 C ATOM 825 CZ TYR A 51 -1.804 -7.954 -3.572 1.00 0.00 C ATOM 826 OH TYR A 51 -1.700 -8.238 -4.912 1.00 0.00 O ATOM 0 H TYR A 51 -0.988 -6.853 2.760 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.902 -8.698 1.736 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.099 -6.605 0.793 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.375 -6.291 0.845 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.018 -8.090 -1.050 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.008 -6.716 -1.030 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.832 -8.609 -3.442 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.201 -7.233 -3.419 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.110 -7.516 -5.432 1.00 0.00 H new ATOM 836 N CYS A 52 0.245 -9.109 0.816 1.00 0.00 N ATOM 837 CA CYS A 52 1.133 -10.089 0.192 1.00 0.00 C ATOM 838 C CYS A 52 1.095 -11.398 0.944 1.00 0.00 C ATOM 839 O CYS A 52 1.016 -12.465 0.354 1.00 0.00 O ATOM 840 CB CYS A 52 2.574 -9.573 0.081 1.00 0.00 C ATOM 841 SG CYS A 52 3.353 -9.064 1.624 1.00 0.00 S ATOM 0 H CYS A 52 0.711 -8.277 1.178 1.00 0.00 H new ATOM 0 HA CYS A 52 0.768 -10.255 -0.822 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.185 -10.355 -0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.583 -8.725 -0.604 1.00 0.00 H new ATOM 0 HG CYS A 52 2.488 -9.137 2.592 1.00 0.00 H new ATOM 847 N GLN A 53 1.123 -11.309 2.248 1.00 0.00 N ATOM 848 CA GLN A 53 1.063 -12.478 3.101 1.00 0.00 C ATOM 849 C GLN A 53 -0.286 -13.188 2.966 1.00 0.00 C ATOM 850 O GLN A 53 -0.350 -14.414 2.881 1.00 0.00 O ATOM 851 CB GLN A 53 1.315 -12.070 4.543 1.00 0.00 C ATOM 852 CG GLN A 53 2.757 -11.680 4.823 1.00 0.00 C ATOM 853 CD GLN A 53 2.942 -11.086 6.205 1.00 0.00 C ATOM 854 OE1 GLN A 53 3.175 -11.801 7.179 1.00 0.00 O ATOM 855 NE2 GLN A 53 2.845 -9.776 6.300 1.00 0.00 N ATOM 0 H GLN A 53 1.188 -10.426 2.754 1.00 0.00 H new ATOM 0 HA GLN A 53 1.837 -13.180 2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.666 -11.231 4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.037 -12.895 5.199 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.394 -12.559 4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.087 -10.959 4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.651 -9.217 5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.964 -9.320 7.205 1.00 0.00 H new ATOM 864 N ARG A 54 -1.362 -12.412 2.934 1.00 0.00 N ATOM 865 CA ARG A 54 -2.714 -12.953 2.771 1.00 0.00 C ATOM 866 C ARG A 54 -2.864 -13.633 1.409 1.00 0.00 C ATOM 867 O ARG A 54 -3.514 -14.668 1.277 1.00 0.00 O ATOM 868 CB ARG A 54 -3.732 -11.823 2.910 1.00 0.00 C ATOM 869 CG ARG A 54 -5.183 -12.248 2.812 1.00 0.00 C ATOM 870 CD ARG A 54 -6.096 -11.050 3.017 1.00 0.00 C ATOM 871 NE ARG A 54 -7.502 -11.424 3.105 1.00 0.00 N ATOM 872 CZ ARG A 54 -8.229 -11.347 4.225 1.00 0.00 C ATOM 873 NH1 ARG A 54 -7.663 -10.962 5.367 1.00 0.00 N ATOM 874 NH2 ARG A 54 -9.518 -11.657 4.206 1.00 0.00 N ATOM 0 H ARG A 54 -1.328 -11.396 3.019 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.892 -13.700 3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.578 -11.332 3.871 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.534 -11.080 2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.373 -12.697 1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.398 -13.010 3.561 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.805 -10.528 3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.961 -10.350 2.192 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.960 -11.766 2.260 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.671 -10.724 5.390 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.221 -10.905 6.219 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.958 -11.955 3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.070 -11.597 5.062 1.00 0.00 H new ATOM 888 N GLN A 55 -2.246 -13.047 0.396 1.00 0.00 N ATOM 889 CA GLN A 55 -2.284 -13.589 -0.963 1.00 0.00 C ATOM 890 C GLN A 55 -1.184 -14.638 -1.136 1.00 0.00 C ATOM 891 O GLN A 55 -1.031 -15.243 -2.194 1.00 0.00 O ATOM 892 CB GLN A 55 -2.119 -12.453 -1.985 1.00 0.00 C ATOM 893 CG GLN A 55 -3.412 -11.695 -2.336 1.00 0.00 C ATOM 894 CD GLN A 55 -4.449 -11.671 -1.221 1.00 0.00 C ATOM 895 OE1 GLN A 55 -5.316 -12.539 -1.143 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.366 -10.681 -0.358 1.00 0.00 N ATOM 0 H GLN A 55 -1.705 -12.187 0.486 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.248 -14.068 -1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.392 -11.739 -1.597 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.700 -12.868 -2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.157 -10.669 -2.601 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.857 -12.151 -3.220 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.632 -9.979 -0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.036 -10.615 0.409 1.00 0.00 H new ATOM 905 N GLY A 56 -0.430 -14.829 -0.068 1.00 0.00 N ATOM 906 CA GLY A 56 0.651 -15.799 -0.038 1.00 0.00 C ATOM 907 C GLY A 56 1.681 -15.569 -1.129 1.00 0.00 C ATOM 908 O GLY A 56 2.145 -16.517 -1.770 1.00 0.00 O ATOM 0 H GLY A 56 -0.550 -14.315 0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.143 -15.757 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.236 -16.801 -0.143 1.00 0.00 H new ATOM 912 N VAL A 57 2.034 -14.318 -1.360 1.00 0.00 N ATOM 913 CA VAL A 57 3.017 -13.981 -2.371 1.00 0.00 C ATOM 914 C VAL A 57 4.163 -13.173 -1.783 1.00 0.00 C ATOM 915 O VAL A 57 3.971 -12.374 -0.864 1.00 0.00 O ATOM 916 CB VAL A 57 2.410 -13.211 -3.572 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.537 -14.126 -4.409 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.628 -11.993 -3.105 1.00 0.00 C ATOM 0 H VAL A 57 1.652 -13.516 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 57 3.395 -14.934 -2.742 1.00 0.00 H new ATOM 0 HB VAL A 57 3.232 -12.859 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.121 -13.566 -5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.136 -14.954 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.726 -14.517 -3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.214 -11.473 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.817 -12.311 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.292 -11.321 -2.561 1.00 0.00 H new ATOM 928 N PRO A 58 5.373 -13.399 -2.299 1.00 0.00 N ATOM 929 CA PRO A 58 6.584 -12.684 -1.874 1.00 0.00 C ATOM 930 C PRO A 58 6.480 -11.168 -2.094 1.00 0.00 C ATOM 931 O PRO A 58 6.090 -10.703 -3.172 1.00 0.00 O ATOM 932 CB PRO A 58 7.678 -13.274 -2.781 1.00 0.00 C ATOM 933 CG PRO A 58 6.934 -13.901 -3.914 1.00 0.00 C ATOM 934 CD PRO A 58 5.666 -14.398 -3.332 1.00 0.00 C ATOM 0 HA PRO A 58 6.773 -12.806 -0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.359 -12.500 -3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.280 -14.009 -2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.744 -13.177 -4.707 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.508 -14.715 -4.357 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.873 -14.454 -4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.778 -15.397 -2.910 1.00 0.00 H new ATOM 942 N MET A 59 6.859 -10.396 -1.077 1.00 0.00 N ATOM 943 CA MET A 59 6.796 -8.933 -1.136 1.00 0.00 C ATOM 944 C MET A 59 7.752 -8.382 -2.195 1.00 0.00 C ATOM 945 O MET A 59 7.545 -7.309 -2.741 1.00 0.00 O ATOM 946 CB MET A 59 7.140 -8.318 0.227 1.00 0.00 C ATOM 947 CG MET A 59 8.568 -8.586 0.670 1.00 0.00 C ATOM 948 SD MET A 59 9.033 -7.696 2.159 1.00 0.00 S ATOM 949 CE MET A 59 10.720 -8.270 2.344 1.00 0.00 C ATOM 0 H MET A 59 7.216 -10.761 -0.194 1.00 0.00 H new ATOM 0 HA MET A 59 5.775 -8.662 -1.406 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.978 -7.241 0.182 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.455 -8.712 0.978 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.693 -9.655 0.841 1.00 0.00 H new ATOM 0 HG3 MET A 59 9.248 -8.311 -0.136 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.165 -7.813 3.228 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.725 -9.354 2.455 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.298 -7.993 1.462 1.00 0.00 H new ATOM 959 N ASN A 60 8.803 -9.116 -2.471 1.00 0.00 N ATOM 960 CA ASN A 60 9.804 -8.686 -3.443 1.00 0.00 C ATOM 961 C ASN A 60 9.366 -8.968 -4.880 1.00 0.00 C ATOM 962 O ASN A 60 9.984 -8.494 -5.827 1.00 0.00 O ATOM 963 CB ASN A 60 11.149 -9.367 -3.169 1.00 0.00 C ATOM 964 CG ASN A 60 11.080 -10.880 -3.311 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.232 -11.419 -4.399 1.00 0.00 O ATOM 966 ND2 ASN A 60 10.871 -11.570 -2.206 1.00 0.00 N ATOM 0 H ASN A 60 8.996 -10.020 -2.039 1.00 0.00 H new ATOM 0 HA ASN A 60 9.914 -7.607 -3.331 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.897 -8.975 -3.858 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.481 -9.115 -2.162 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.832 -12.589 -2.241 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.749 -11.085 -1.317 1.00 0.00 H new ATOM 973 N SER A 61 8.307 -9.739 -5.049 1.00 0.00 N ATOM 974 CA SER A 61 7.848 -10.096 -6.382 1.00 0.00 C ATOM 975 C SER A 61 6.665 -9.237 -6.812 1.00 0.00 C ATOM 976 O SER A 61 6.278 -9.229 -7.986 1.00 0.00 O ATOM 977 CB SER A 61 7.463 -11.569 -6.423 1.00 0.00 C ATOM 978 OG SER A 61 7.315 -12.024 -7.750 1.00 0.00 O ATOM 0 H SER A 61 7.751 -10.128 -4.287 1.00 0.00 H new ATOM 0 HA SER A 61 8.666 -9.915 -7.079 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.226 -12.161 -5.917 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.530 -11.718 -5.879 1.00 0.00 H new ATOM 0 HG SER A 61 6.861 -11.338 -8.282 1.00 0.00 H new ATOM 984 N LEU A 62 6.082 -8.522 -5.877 1.00 0.00 N ATOM 985 CA LEU A 62 4.943 -7.697 -6.181 1.00 0.00 C ATOM 986 C LEU A 62 5.281 -6.200 -5.984 1.00 0.00 C ATOM 987 O LEU A 62 6.248 -5.855 -5.304 1.00 0.00 O ATOM 988 CB LEU A 62 3.697 -8.197 -5.366 1.00 0.00 C ATOM 989 CG LEU A 62 3.323 -7.513 -4.037 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.513 -7.328 -3.133 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.600 -6.219 -4.291 1.00 0.00 C ATOM 0 H LEU A 62 6.380 -8.497 -4.902 1.00 0.00 H new ATOM 0 HA LEU A 62 4.677 -7.790 -7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.830 -8.126 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.851 -9.255 -5.154 1.00 0.00 H new ATOM 0 HG LEU A 62 2.642 -8.178 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.197 -6.842 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.948 -8.300 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.257 -6.708 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.345 -5.752 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.242 -5.550 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.688 -6.416 -4.854 1.00 0.00 H new ATOM 1003 N ARG A 63 4.496 -5.327 -6.588 1.00 0.00 N ATOM 1004 CA ARG A 63 4.754 -3.888 -6.538 1.00 0.00 C ATOM 1005 C ARG A 63 3.474 -3.079 -6.342 1.00 0.00 C ATOM 1006 O ARG A 63 2.443 -3.353 -6.962 1.00 0.00 O ATOM 1007 CB ARG A 63 5.456 -3.455 -7.816 1.00 0.00 C ATOM 1008 CG ARG A 63 4.805 -4.016 -9.059 1.00 0.00 C ATOM 1009 CD ARG A 63 5.594 -3.687 -10.297 1.00 0.00 C ATOM 1010 NE ARG A 63 5.159 -4.500 -11.434 1.00 0.00 N ATOM 1011 CZ ARG A 63 5.199 -4.114 -12.710 1.00 0.00 C ATOM 1012 NH1 ARG A 63 5.662 -2.915 -13.033 1.00 0.00 N ATOM 1013 NH2 ARG A 63 4.779 -4.937 -13.665 1.00 0.00 N ATOM 0 H ARG A 63 3.668 -5.585 -7.124 1.00 0.00 H new ATOM 0 HA ARG A 63 5.393 -3.693 -5.677 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.459 -2.366 -7.873 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.497 -3.776 -7.780 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.711 -5.098 -8.964 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.796 -3.616 -9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.476 -2.630 -10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.655 -3.855 -10.111 1.00 0.00 H new ATOM 0 HE ARG A 63 4.798 -5.433 -11.235 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.990 -2.282 -12.304 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.690 -2.626 -14.011 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.427 -5.863 -13.422 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.809 -4.643 -14.641 1.00 0.00 H new ATOM 1027 N PHE A 64 3.544 -2.084 -5.466 1.00 0.00 N ATOM 1028 CA PHE A 64 2.407 -1.212 -5.170 1.00 0.00 C ATOM 1029 C PHE A 64 2.699 0.230 -5.533 1.00 0.00 C ATOM 1030 O PHE A 64 3.562 0.874 -4.932 1.00 0.00 O ATOM 1031 CB PHE A 64 2.033 -1.288 -3.683 1.00 0.00 C ATOM 1032 CG PHE A 64 3.019 -2.039 -2.837 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.876 -3.395 -2.658 1.00 0.00 C ATOM 1034 CD2 PHE A 64 4.082 -1.393 -2.225 1.00 0.00 C ATOM 1035 CE1 PHE A 64 3.763 -4.109 -1.890 1.00 0.00 C ATOM 1036 CE2 PHE A 64 4.983 -2.100 -1.449 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.824 -3.464 -1.282 1.00 0.00 C ATOM 0 H PHE A 64 4.388 -1.857 -4.940 1.00 0.00 H new ATOM 0 HA PHE A 64 1.572 -1.564 -5.776 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.934 -0.275 -3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.056 -1.762 -3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.051 -3.908 -3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.208 -0.328 -2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.632 -5.173 -1.761 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.808 -1.589 -0.975 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.525 -4.022 -0.680 1.00 0.00 H new ATOM 1047 N LEU A 65 1.972 0.747 -6.493 1.00 0.00 N ATOM 1048 CA LEU A 65 2.144 2.120 -6.911 1.00 0.00 C ATOM 1049 C LEU A 65 0.816 2.857 -7.026 1.00 0.00 C ATOM 1050 O LEU A 65 -0.248 2.248 -7.150 1.00 0.00 O ATOM 1051 CB LEU A 65 2.954 2.207 -8.225 1.00 0.00 C ATOM 1052 CG LEU A 65 2.687 1.117 -9.284 1.00 0.00 C ATOM 1053 CD1 LEU A 65 1.266 1.189 -9.814 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.687 1.235 -10.422 1.00 0.00 C ATOM 0 H LEU A 65 1.251 0.236 -7.003 1.00 0.00 H new ATOM 0 HA LEU A 65 2.716 2.622 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.758 3.178 -8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.014 2.182 -7.972 1.00 0.00 H new ATOM 0 HG LEU A 65 2.809 0.146 -8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.115 0.406 -10.557 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.564 1.049 -8.992 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.098 2.163 -10.273 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.488 0.460 -11.163 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.593 2.216 -10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.698 1.114 -10.032 1.00 0.00 H new ATOM 1066 N PHE A 66 0.883 4.163 -6.944 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.277 5.018 -7.091 1.00 0.00 C ATOM 1068 C PHE A 66 0.150 6.288 -7.780 1.00 0.00 C ATOM 1069 O PHE A 66 1.083 6.941 -7.342 1.00 0.00 O ATOM 1070 CB PHE A 66 -0.908 5.345 -5.733 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.057 6.304 -5.840 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.213 5.936 -6.498 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -1.978 7.577 -5.294 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.270 6.809 -6.615 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -3.036 8.458 -5.407 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.184 8.071 -6.068 1.00 0.00 C ATOM 0 H PHE A 66 1.751 4.671 -6.772 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.029 4.497 -7.684 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.253 4.422 -5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.147 5.768 -5.077 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.289 4.948 -6.927 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.081 7.882 -4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.166 6.505 -7.135 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.965 9.447 -4.979 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.014 8.756 -6.157 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.515 6.634 -8.867 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.174 7.822 -9.654 1.00 0.00 C ATOM 1088 C GLU A 67 1.266 7.762 -10.163 1.00 0.00 C ATOM 1089 O GLU A 67 1.896 8.786 -10.433 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.411 9.099 -8.843 1.00 0.00 C ATOM 1091 CG GLU A 67 -1.879 9.413 -8.638 1.00 0.00 C ATOM 1092 CD GLU A 67 -2.598 9.623 -9.948 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -3.032 8.626 -10.562 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -2.713 10.783 -10.381 1.00 0.00 O ATOM 0 H GLU A 67 -1.306 6.106 -9.235 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.831 7.841 -10.523 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.072 8.999 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.066 9.938 -9.351 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.352 8.597 -8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.976 10.308 -8.023 1.00 0.00 H new ATOM 1101 N GLY A 68 1.776 6.549 -10.303 1.00 0.00 N ATOM 1102 CA GLY A 68 3.107 6.348 -10.823 1.00 0.00 C ATOM 1103 C GLY A 68 4.179 6.404 -9.757 1.00 0.00 C ATOM 1104 O GLY A 68 5.370 6.448 -10.068 1.00 0.00 O ATOM 0 H GLY A 68 1.282 5.690 -10.061 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.152 5.381 -11.324 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.314 7.107 -11.577 1.00 0.00 H new ATOM 1108 N GLN A 69 3.781 6.384 -8.500 1.00 0.00 N ATOM 1109 CA GLN A 69 4.739 6.451 -7.422 1.00 0.00 C ATOM 1110 C GLN A 69 4.623 5.225 -6.541 1.00 0.00 C ATOM 1111 O GLN A 69 3.519 4.795 -6.186 1.00 0.00 O ATOM 1112 CB GLN A 69 4.537 7.731 -6.609 1.00 0.00 C ATOM 1113 CG GLN A 69 3.330 7.717 -5.700 1.00 0.00 C ATOM 1114 CD GLN A 69 2.891 9.109 -5.300 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.710 10.018 -5.153 1.00 0.00 O ATOM 1116 NE2 GLN A 69 1.593 9.297 -5.156 1.00 0.00 N ATOM 0 H GLN A 69 2.807 6.322 -8.204 1.00 0.00 H new ATOM 0 HA GLN A 69 5.744 6.473 -7.844 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.428 7.906 -6.005 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.447 8.572 -7.297 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.506 7.210 -6.203 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.560 7.140 -4.804 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.947 8.518 -5.286 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.235 10.221 -4.914 1.00 0.00 H new ATOM 1125 N ARG A 70 5.750 4.644 -6.215 1.00 0.00 N ATOM 1126 CA ARG A 70 5.779 3.470 -5.371 1.00 0.00 C ATOM 1127 C ARG A 70 5.370 3.826 -3.950 1.00 0.00 C ATOM 1128 O ARG A 70 5.778 4.857 -3.401 1.00 0.00 O ATOM 1129 CB ARG A 70 7.174 2.830 -5.387 1.00 0.00 C ATOM 1130 CG ARG A 70 8.274 3.729 -4.842 1.00 0.00 C ATOM 1131 CD ARG A 70 9.650 3.127 -5.056 1.00 0.00 C ATOM 1132 NE ARG A 70 10.007 3.053 -6.477 1.00 0.00 N ATOM 1133 CZ ARG A 70 11.219 3.338 -6.962 1.00 0.00 C ATOM 1134 NH1 ARG A 70 12.208 3.662 -6.138 1.00 0.00 N ATOM 1135 NH2 ARG A 70 11.445 3.280 -8.268 1.00 0.00 N ATOM 0 H ARG A 70 6.668 4.966 -6.523 1.00 0.00 H new ATOM 0 HA ARG A 70 5.065 2.746 -5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.147 1.911 -4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.422 2.550 -6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.223 4.702 -5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.112 3.897 -3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.393 3.725 -4.527 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.679 2.127 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 70 9.284 2.766 -7.137 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.044 3.694 -5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.132 3.879 -6.511 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.693 3.017 -8.905 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.371 3.498 -8.635 1.00 0.00 H new ATOM 1149 N ILE A 71 4.522 3.019 -3.363 1.00 0.00 N ATOM 1150 CA ILE A 71 4.088 3.268 -2.012 1.00 0.00 C ATOM 1151 C ILE A 71 5.164 2.841 -1.022 1.00 0.00 C ATOM 1152 O ILE A 71 5.311 1.664 -0.707 1.00 0.00 O ATOM 1153 CB ILE A 71 2.760 2.550 -1.689 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.775 2.680 -2.866 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.149 3.137 -0.423 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.439 4.107 -3.247 1.00 0.00 C ATOM 0 H ILE A 71 4.120 2.188 -3.797 1.00 0.00 H new ATOM 0 HA ILE A 71 3.916 4.340 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 71 2.964 1.492 -1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.197 2.175 -3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.853 2.158 -2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.212 2.626 -0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.840 3.006 0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.957 4.200 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.740 4.105 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.985 4.614 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.350 4.630 -3.537 1.00 0.00 H new ATOM 1168 N ALA A 72 5.921 3.820 -0.546 1.00 0.00 N ATOM 1169 CA ALA A 72 7.008 3.598 0.393 1.00 0.00 C ATOM 1170 C ALA A 72 6.501 3.148 1.758 1.00 0.00 C ATOM 1171 O ALA A 72 5.295 3.199 2.045 1.00 0.00 O ATOM 1172 CB ALA A 72 7.822 4.871 0.538 1.00 0.00 C ATOM 0 H ALA A 72 5.795 4.799 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 72 7.633 2.798 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.637 4.704 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.233 5.153 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.182 5.672 0.908 1.00 0.00 H new ATOM 1178 N ASP A 73 7.431 2.747 2.615 1.00 0.00 N ATOM 1179 CA ASP A 73 7.112 2.257 3.950 1.00 0.00 C ATOM 1180 C ASP A 73 6.563 3.360 4.838 1.00 0.00 C ATOM 1181 O ASP A 73 5.874 3.095 5.821 1.00 0.00 O ATOM 1182 CB ASP A 73 8.339 1.608 4.606 1.00 0.00 C ATOM 1183 CG ASP A 73 9.394 2.607 5.026 1.00 0.00 C ATOM 1184 OD1 ASP A 73 9.933 3.316 4.151 1.00 0.00 O ATOM 1185 OD2 ASP A 73 9.703 2.667 6.237 1.00 0.00 O ATOM 0 H ASP A 73 8.429 2.752 2.404 1.00 0.00 H new ATOM 0 HA ASP A 73 6.336 1.500 3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.017 1.041 5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.781 0.896 3.909 1.00 0.00 H new ATOM 1190 N ASN A 74 6.843 4.605 4.486 1.00 0.00 N ATOM 1191 CA ASN A 74 6.367 5.734 5.263 1.00 0.00 C ATOM 1192 C ASN A 74 5.323 6.518 4.484 1.00 0.00 C ATOM 1193 O ASN A 74 4.930 7.616 4.881 1.00 0.00 O ATOM 1194 CB ASN A 74 7.529 6.663 5.657 1.00 0.00 C ATOM 1195 CG ASN A 74 8.468 6.045 6.673 1.00 0.00 C ATOM 1196 OD1 ASN A 74 8.059 5.234 7.503 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.730 6.425 6.619 1.00 0.00 N ATOM 0 H ASN A 74 7.397 4.857 3.668 1.00 0.00 H new ATOM 0 HA ASN A 74 5.912 5.342 6.173 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.094 6.927 4.763 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.123 7.590 6.063 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.406 6.044 7.281 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.030 7.100 5.915 1.00 0.00 H new ATOM 1204 N HIS A 75 4.857 5.962 3.366 1.00 0.00 N ATOM 1205 CA HIS A 75 3.855 6.652 2.573 1.00 0.00 C ATOM 1206 C HIS A 75 2.482 6.495 3.192 1.00 0.00 C ATOM 1207 O HIS A 75 2.101 5.407 3.637 1.00 0.00 O ATOM 1208 CB HIS A 75 3.843 6.162 1.126 1.00 0.00 C ATOM 1209 CG HIS A 75 4.625 7.035 0.189 1.00 0.00 C ATOM 1210 ND1 HIS A 75 4.814 6.736 -1.146 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.246 8.221 0.392 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.512 7.695 -1.714 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.787 8.605 -0.805 1.00 0.00 N ATOM 0 H HIS A 75 5.152 5.057 3.000 1.00 0.00 H new ATOM 0 HA HIS A 75 4.119 7.709 2.564 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.248 5.151 1.090 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.811 6.104 0.779 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.304 8.763 1.324 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.809 7.730 -2.752 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.319 9.460 -0.966 1.00 0.00 H new ATOM 1222 N THR A 76 1.727 7.575 3.204 1.00 0.00 N ATOM 1223 CA THR A 76 0.413 7.593 3.815 1.00 0.00 C ATOM 1224 C THR A 76 -0.589 8.248 2.875 1.00 0.00 C ATOM 1225 O THR A 76 -0.192 8.880 1.890 1.00 0.00 O ATOM 1226 CB THR A 76 0.464 8.418 5.124 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.780 9.779 4.820 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.528 7.885 6.045 1.00 0.00 C ATOM 0 H THR A 76 2.007 8.465 2.791 1.00 0.00 H new ATOM 0 HA THR A 76 0.109 6.567 4.024 1.00 0.00 H new ATOM 0 HB THR A 76 -0.510 8.348 5.609 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.266 10.178 5.572 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.548 8.478 6.959 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.309 6.846 6.291 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.499 7.944 5.553 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.904 8.107 3.144 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.934 8.778 2.356 1.00 0.00 C ATOM 1238 C PRO A 77 -2.774 10.293 2.401 1.00 0.00 C ATOM 1239 O PRO A 77 -3.043 10.985 1.422 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.249 8.361 3.026 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.858 7.837 4.366 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.491 7.256 4.197 1.00 0.00 C ATOM 0 HA PRO A 77 -2.885 8.503 1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.930 9.207 3.118 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.765 7.600 2.441 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.855 8.633 5.111 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.564 7.081 4.711 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.915 7.301 5.121 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.530 6.209 3.896 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.303 10.806 3.541 1.00 0.00 N ATOM 1251 CA LYS A 78 -2.100 12.240 3.706 1.00 0.00 C ATOM 1252 C LYS A 78 -0.855 12.676 2.943 1.00 0.00 C ATOM 1253 O LYS A 78 -0.720 13.832 2.540 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.962 12.603 5.200 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.549 12.452 5.762 1.00 0.00 C ATOM 1256 CD LYS A 78 0.015 13.800 6.192 1.00 0.00 C ATOM 1257 CE LYS A 78 1.537 13.777 6.301 1.00 0.00 C ATOM 1258 NZ LYS A 78 2.011 12.939 7.424 1.00 0.00 N ATOM 0 H LYS A 78 -2.057 10.248 4.359 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.968 12.763 3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.287 13.634 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.638 11.973 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.563 11.772 6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.100 12.006 5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.285 14.564 5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.413 14.081 7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.959 13.402 5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.904 14.795 6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.050 12.956 7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.631 13.310 8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.685 11.961 7.289 1.00 0.00 H new ATOM 1272 N GLU A 79 0.067 11.739 2.754 1.00 0.00 N ATOM 1273 CA GLU A 79 1.299 12.013 2.055 1.00 0.00 C ATOM 1274 C GLU A 79 1.054 12.033 0.563 1.00 0.00 C ATOM 1275 O GLU A 79 1.453 12.955 -0.143 1.00 0.00 O ATOM 1276 CB GLU A 79 2.332 10.937 2.374 1.00 0.00 C ATOM 1277 CG GLU A 79 3.724 11.478 2.590 1.00 0.00 C ATOM 1278 CD GLU A 79 3.793 12.368 3.811 1.00 0.00 C ATOM 1279 OE1 GLU A 79 3.543 13.582 3.680 1.00 0.00 O ATOM 1280 OE2 GLU A 79 4.080 11.853 4.915 1.00 0.00 O ATOM 0 H GLU A 79 -0.025 10.777 3.082 1.00 0.00 H new ATOM 0 HA GLU A 79 1.672 12.985 2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.018 10.398 3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.355 10.215 1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.423 10.650 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.036 12.041 1.711 1.00 0.00 H new ATOM 1287 N LEU A 80 0.373 11.009 0.095 1.00 0.00 N ATOM 1288 CA LEU A 80 0.101 10.825 -1.316 1.00 0.00 C ATOM 1289 C LEU A 80 -1.081 11.677 -1.801 1.00 0.00 C ATOM 1290 O LEU A 80 -1.308 11.807 -3.003 1.00 0.00 O ATOM 1291 CB LEU A 80 -0.163 9.350 -1.574 1.00 0.00 C ATOM 1292 CG LEU A 80 0.965 8.413 -1.135 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.497 6.979 -1.115 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.164 8.567 -2.049 1.00 0.00 C ATOM 0 H LEU A 80 -0.011 10.274 0.688 1.00 0.00 H new ATOM 0 HA LEU A 80 0.973 11.158 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.078 9.063 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.341 9.208 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 80 1.261 8.687 -0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.317 6.333 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.334 6.877 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.170 6.689 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.958 7.894 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.876 8.322 -3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.522 9.596 -2.010 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.835 12.248 -0.869 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.962 13.096 -1.234 1.00 0.00 C ATOM 1308 C GLY A 81 -4.120 12.315 -1.829 1.00 0.00 C ATOM 1309 O GLY A 81 -4.714 12.721 -2.828 1.00 0.00 O ATOM 0 H GLY A 81 -1.689 12.141 0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.308 13.632 -0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.629 13.846 -1.952 1.00 0.00 H new ATOM 1313 N MET A 82 -4.445 11.191 -1.221 1.00 0.00 N ATOM 1314 CA MET A 82 -5.527 10.346 -1.705 1.00 0.00 C ATOM 1315 C MET A 82 -6.836 10.668 -0.993 1.00 0.00 C ATOM 1316 O MET A 82 -6.850 11.346 0.035 1.00 0.00 O ATOM 1317 CB MET A 82 -5.169 8.875 -1.522 1.00 0.00 C ATOM 1318 CG MET A 82 -3.908 8.479 -2.259 1.00 0.00 C ATOM 1319 SD MET A 82 -3.534 6.725 -2.142 1.00 0.00 S ATOM 1320 CE MET A 82 -3.197 6.572 -0.404 1.00 0.00 C ATOM 0 H MET A 82 -3.975 10.838 -0.387 1.00 0.00 H new ATOM 0 HA MET A 82 -5.665 10.546 -2.768 1.00 0.00 H new ATOM 0 HB2 MET A 82 -5.043 8.666 -0.460 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.997 8.259 -1.872 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.009 8.752 -3.309 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.069 9.049 -1.861 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.828 5.569 -0.192 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.444 7.305 -0.113 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.112 6.749 0.161 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.937 10.179 -1.537 1.00 0.00 N ATOM 1331 CA GLU A 83 -9.254 10.422 -0.966 1.00 0.00 C ATOM 1332 C GLU A 83 -9.812 9.130 -0.376 1.00 0.00 C ATOM 1333 O GLU A 83 -9.134 8.107 -0.363 1.00 0.00 O ATOM 1334 CB GLU A 83 -10.201 10.957 -2.037 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.710 12.221 -2.724 1.00 0.00 C ATOM 1336 CD GLU A 83 -10.675 12.712 -3.774 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -10.577 12.265 -4.940 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -11.550 13.541 -3.440 1.00 0.00 O ATOM 0 H GLU A 83 -7.946 9.606 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.163 11.165 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.355 10.184 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.171 11.157 -1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.559 13.002 -1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.741 12.029 -3.185 1.00 0.00 H new ATOM 1345 N GLU A 84 -11.042 9.165 0.120 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.647 7.963 0.664 1.00 0.00 C ATOM 1347 C GLU A 84 -12.153 7.051 -0.443 1.00 0.00 C ATOM 1348 O GLU A 84 -12.670 7.507 -1.467 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.735 8.267 1.705 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.517 9.561 1.489 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.356 9.555 0.238 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -15.393 8.863 0.214 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -13.988 10.248 -0.731 1.00 0.00 O ATOM 0 H GLU A 84 -11.629 9.998 0.156 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.862 7.427 1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.440 7.436 1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.269 8.306 2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.163 9.733 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.817 10.396 1.444 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.962 5.757 -0.236 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.282 4.725 -1.218 1.00 0.00 C ATOM 1362 C GLU A 85 -11.385 4.859 -2.427 1.00 0.00 C ATOM 1363 O GLU A 85 -11.716 4.412 -3.530 1.00 0.00 O ATOM 1364 CB GLU A 85 -13.756 4.727 -1.627 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.579 3.648 -0.937 1.00 0.00 C ATOM 1366 CD GLU A 85 -13.969 2.252 -1.076 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -13.510 1.893 -2.185 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -13.970 1.500 -0.077 1.00 0.00 O ATOM 0 H GLU A 85 -11.574 5.386 0.631 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.100 3.762 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.187 5.702 -1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.826 4.591 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.675 3.893 0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.585 3.642 -1.356 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.229 5.475 -2.222 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.259 5.631 -3.286 1.00 0.00 C ATOM 1377 C ASP A 86 -8.639 4.282 -3.589 1.00 0.00 C ATOM 1378 O ASP A 86 -8.806 3.321 -2.819 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.177 6.637 -2.903 1.00 0.00 C ATOM 1380 CG ASP A 86 -7.772 7.509 -4.070 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.498 6.965 -5.157 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -7.764 8.754 -3.913 1.00 0.00 O ATOM 0 H ASP A 86 -9.944 5.873 -1.327 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.765 6.013 -4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.539 7.266 -2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.303 6.104 -2.529 1.00 0.00 H new ATOM 1387 N VAL A 87 -7.916 4.179 -4.678 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.382 2.895 -5.070 1.00 0.00 C ATOM 1389 C VAL A 87 -5.899 2.934 -5.351 1.00 0.00 C ATOM 1390 O VAL A 87 -5.389 3.837 -6.006 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.120 2.300 -6.298 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -9.593 2.130 -6.011 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -7.912 3.152 -7.546 1.00 0.00 C ATOM 0 H VAL A 87 -7.686 4.954 -5.300 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.549 2.248 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.690 1.317 -6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.088 1.711 -6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.723 1.456 -5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.032 3.099 -5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.444 2.704 -8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.295 4.157 -7.369 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.848 3.205 -7.777 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.205 1.953 -4.834 1.00 0.00 N ATOM 1404 CA ILE A 88 -3.796 1.780 -5.109 1.00 0.00 C ATOM 1405 C ILE A 88 -3.654 0.630 -6.085 1.00 0.00 C ATOM 1406 O ILE A 88 -4.350 -0.379 -5.955 1.00 0.00 O ATOM 1407 CB ILE A 88 -2.968 1.476 -3.812 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -2.788 2.739 -2.954 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -1.605 0.877 -4.152 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.066 3.277 -2.363 1.00 0.00 C ATOM 0 H ILE A 88 -5.598 1.249 -4.209 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.403 2.708 -5.524 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.534 0.744 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.093 2.518 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.329 3.516 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.055 0.678 -3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.744 -0.054 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.042 1.580 -4.766 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.848 4.167 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.758 3.534 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.518 2.520 -1.723 1.00 0.00 H new ATOM 1422 N GLU A 89 -2.761 0.753 -7.043 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.605 -0.282 -8.045 1.00 0.00 C ATOM 1424 C GLU A 89 -1.478 -1.213 -7.644 1.00 0.00 C ATOM 1425 O GLU A 89 -0.402 -0.769 -7.216 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.329 0.328 -9.417 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.233 -0.700 -10.532 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.551 -1.394 -10.805 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -3.844 -2.414 -10.158 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -4.305 -0.917 -11.677 1.00 0.00 O ATOM 0 H GLU A 89 -2.136 1.552 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.533 -0.850 -8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.121 1.038 -9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.398 0.893 -9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.890 -0.210 -11.443 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.483 -1.446 -10.269 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.712 -2.497 -7.759 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.736 -3.478 -7.365 1.00 0.00 C ATOM 1439 C VAL A 90 -0.551 -4.556 -8.426 1.00 0.00 C ATOM 1440 O VAL A 90 -1.513 -5.123 -8.954 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.115 -4.140 -6.009 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.354 -5.429 -5.808 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -0.833 -3.194 -4.856 1.00 0.00 C ATOM 0 H VAL A 90 -2.579 -2.888 -8.126 1.00 0.00 H new ATOM 0 HA VAL A 90 0.208 -2.946 -7.249 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.182 -4.363 -6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.636 -5.873 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.592 -6.122 -6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.716 -5.224 -5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.104 -3.675 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.228 -2.943 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.419 -2.284 -4.980 1.00 0.00 H new ATOM 1453 N TYR A 91 0.686 -4.841 -8.732 1.00 0.00 N ATOM 1454 CA TYR A 91 1.020 -5.882 -9.660 1.00 0.00 C ATOM 1455 C TYR A 91 1.820 -6.943 -8.933 1.00 0.00 C ATOM 1456 O TYR A 91 2.642 -6.625 -8.084 1.00 0.00 O ATOM 1457 CB TYR A 91 1.800 -5.323 -10.848 1.00 0.00 C ATOM 1458 CG TYR A 91 1.026 -4.295 -11.643 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -0.002 -4.684 -12.493 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.313 -2.942 -11.539 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.720 -3.756 -13.216 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.595 -2.005 -12.257 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.420 -2.418 -13.096 1.00 0.00 C ATOM 1464 OH TYR A 91 -1.142 -1.488 -13.815 1.00 0.00 O ATOM 0 H TYR A 91 1.493 -4.354 -8.342 1.00 0.00 H new ATOM 0 HA TYR A 91 0.106 -6.326 -10.056 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.724 -4.872 -10.487 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.082 -6.144 -11.507 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.243 -5.732 -12.589 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.110 -2.616 -10.887 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.514 -4.077 -13.874 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.827 -0.954 -12.162 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.806 -0.589 -13.617 1.00 0.00 H new ATOM 1474 N GLN A 92 1.571 -8.199 -9.233 1.00 0.00 N ATOM 1475 CA GLN A 92 2.249 -9.278 -8.541 1.00 0.00 C ATOM 1476 C GLN A 92 2.775 -10.335 -9.510 1.00 0.00 C ATOM 1477 O GLN A 92 2.022 -10.924 -10.289 1.00 0.00 O ATOM 1478 CB GLN A 92 1.319 -9.928 -7.490 1.00 0.00 C ATOM 1479 CG GLN A 92 0.077 -10.598 -8.075 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.766 -11.323 -7.037 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -1.385 -12.339 -7.331 1.00 0.00 O ATOM 1482 NE2 GLN A 92 -0.832 -10.784 -5.837 1.00 0.00 N ATOM 0 H GLN A 92 0.908 -8.499 -9.947 1.00 0.00 H new ATOM 0 HA GLN A 92 3.107 -8.842 -8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.887 -10.670 -6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.004 -9.164 -6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.536 -9.843 -8.567 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.384 -11.308 -8.843 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.303 -9.938 -5.628 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.413 -11.213 -5.116 1.00 0.00 H new