USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 823 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 94 MET CE :methyl 166:sc= 0 (180deg=-0.0259) USER MOD Set 1.2: A 103 HIS :FLIP no HD1:sc= -10.8! C(o=-12!,f=-11!) USER MOD Set 2.1: A 44 SER OG : rot 180:sc= -1.04 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -171:sc= 0.854 (180deg=0) USER MOD Set 2.3: A 63 GLN : amide:sc= 0.584 K(o=0.39,f=-13!) USER MOD Single : A 27 SER OG : rot -103:sc= 0.948 USER MOD Single : A 31 HIS : no HD1:sc= 0.136 K(o=0.14,f=-2.1!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -4.89! C(o=-4.9!,f=-7.7!) USER MOD Single : A 38 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.135) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 57 ASN : amide:sc= -0.435 K(o=-0.44,f=-3.8!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 60:sc= -0.817 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.855 USER MOD Single : A 78 SER OG : rot 174:sc= -1.19 USER MOD Single : A 88 SER OG : rot 17:sc= 0.35 USER MOD Single : A 89 ASN : amide:sc= -0.0852 K(o=-0.085,f=-0.68) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -147:sc= -0.154 (180deg=-0.955) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot -96:sc= 0.701 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.71) USER MOD Single : A 118 SER OG : rot -179:sc= -1.49! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.0317 K(o=-0.032,f=-0.61) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00923) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 287 N ALA A 21 4.464 7.619 7.463 1.00 0.00 N ATOM 288 CA ALA A 21 3.254 6.991 7.967 1.00 0.00 C ATOM 289 C ALA A 21 3.633 5.829 8.887 1.00 0.00 C ATOM 290 O ALA A 21 4.779 5.381 8.888 1.00 0.00 O ATOM 291 CB ALA A 21 2.383 6.544 6.792 1.00 0.00 C ATOM 0 HA ALA A 21 2.670 7.700 8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.476 6.073 7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.117 7.410 6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.935 5.830 6.181 1.00 0.00 H new ATOM 297 N ALA A 22 2.649 5.374 9.648 1.00 0.00 N ATOM 298 CA ALA A 22 2.865 4.272 10.571 1.00 0.00 C ATOM 299 C ALA A 22 2.688 2.947 9.827 1.00 0.00 C ATOM 300 O ALA A 22 1.952 2.877 8.844 1.00 0.00 O ATOM 301 CB ALA A 22 1.909 4.406 11.759 1.00 0.00 C ATOM 0 H ALA A 22 1.700 5.748 9.645 1.00 0.00 H new ATOM 0 HA ALA A 22 3.881 4.295 10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.071 3.580 12.451 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.095 5.350 12.271 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.879 4.384 11.402 1.00 0.00 H new ATOM 307 N VAL A 23 3.375 1.930 10.325 1.00 0.00 N ATOM 308 CA VAL A 23 3.303 0.611 9.719 1.00 0.00 C ATOM 309 C VAL A 23 2.317 -0.254 10.507 1.00 0.00 C ATOM 310 O VAL A 23 2.024 0.032 11.667 1.00 0.00 O ATOM 311 CB VAL A 23 4.702 -0.003 9.634 1.00 0.00 C ATOM 312 CG1 VAL A 23 4.626 -1.494 9.299 1.00 0.00 C ATOM 313 CG2 VAL A 23 5.568 0.744 8.619 1.00 0.00 C ATOM 0 H VAL A 23 3.984 1.992 11.141 1.00 0.00 H new ATOM 0 HA VAL A 23 2.930 0.680 8.697 1.00 0.00 H new ATOM 0 HB VAL A 23 5.172 0.097 10.612 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.633 -1.906 9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.063 -2.013 10.075 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.127 -1.626 8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.557 0.287 8.578 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.103 0.691 7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.662 1.788 8.919 1.00 0.00 H new ATOM 323 N ASP A 24 1.833 -1.295 9.846 1.00 0.00 N ATOM 324 CA ASP A 24 0.886 -2.204 10.470 1.00 0.00 C ATOM 325 C ASP A 24 1.650 -3.242 11.295 1.00 0.00 C ATOM 326 O ASP A 24 2.698 -3.727 10.872 1.00 0.00 O ATOM 327 CB ASP A 24 0.063 -2.949 9.418 1.00 0.00 C ATOM 328 CG ASP A 24 -1.436 -2.639 9.430 1.00 0.00 C ATOM 329 OD1 ASP A 24 -2.124 -3.199 10.311 1.00 0.00 O ATOM 330 OD2 ASP A 24 -1.859 -1.849 8.558 1.00 0.00 O ATOM 0 H ASP A 24 2.079 -1.530 8.884 1.00 0.00 H new ATOM 0 HA ASP A 24 0.219 -1.616 11.100 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.460 -2.710 8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.198 -4.021 9.565 1.00 0.00 H new ATOM 335 N PRO A 25 1.080 -3.559 12.489 1.00 0.00 N ATOM 336 CA PRO A 25 1.696 -4.530 13.377 1.00 0.00 C ATOM 337 C PRO A 25 1.489 -5.955 12.860 1.00 0.00 C ATOM 338 O PRO A 25 2.216 -6.870 13.243 1.00 0.00 O ATOM 339 CB PRO A 25 1.050 -4.290 14.731 1.00 0.00 C ATOM 340 CG PRO A 25 -0.228 -3.516 14.452 1.00 0.00 C ATOM 341 CD PRO A 25 -0.160 -3.004 13.022 1.00 0.00 C ATOM 0 HA PRO A 25 2.778 -4.414 13.441 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.834 -5.233 15.233 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.714 -3.725 15.386 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.099 -4.157 14.587 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.332 -2.686 15.150 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.022 -3.333 12.442 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -0.152 -1.914 12.991 1.00 0.00 H new ATOM 349 N ASP A 26 0.493 -6.098 11.997 1.00 0.00 N ATOM 350 CA ASP A 26 0.181 -7.396 11.424 1.00 0.00 C ATOM 351 C ASP A 26 1.203 -7.727 10.334 1.00 0.00 C ATOM 352 O ASP A 26 1.239 -8.849 9.832 1.00 0.00 O ATOM 353 CB ASP A 26 -1.209 -7.396 10.784 1.00 0.00 C ATOM 354 CG ASP A 26 -1.626 -8.720 10.141 1.00 0.00 C ATOM 355 OD1 ASP A 26 -1.153 -8.976 9.012 1.00 0.00 O ATOM 356 OD2 ASP A 26 -2.407 -9.446 10.792 1.00 0.00 O ATOM 0 H ASP A 26 -0.108 -5.337 11.681 1.00 0.00 H new ATOM 0 HA ASP A 26 0.209 -8.134 12.226 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.943 -7.133 11.546 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.243 -6.614 10.025 1.00 0.00 H new ATOM 361 N SER A 27 2.008 -6.729 10.000 1.00 0.00 N ATOM 362 CA SER A 27 3.028 -6.900 8.980 1.00 0.00 C ATOM 363 C SER A 27 4.287 -7.513 9.595 1.00 0.00 C ATOM 364 O SER A 27 5.001 -8.266 8.935 1.00 0.00 O ATOM 365 CB SER A 27 3.361 -5.567 8.306 1.00 0.00 C ATOM 366 OG SER A 27 4.149 -4.727 9.145 1.00 0.00 O ATOM 0 H SER A 27 1.974 -5.799 10.418 1.00 0.00 H new ATOM 0 HA SER A 27 2.639 -7.575 8.218 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.897 -5.755 7.375 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.437 -5.053 8.043 1.00 0.00 H new ATOM 0 HG SER A 27 3.584 -4.023 9.526 1.00 0.00 H new ATOM 372 N GLY A 28 4.520 -7.169 10.853 1.00 0.00 N ATOM 373 CA GLY A 28 5.681 -7.676 11.565 1.00 0.00 C ATOM 374 C GLY A 28 6.882 -6.746 11.388 1.00 0.00 C ATOM 375 O GLY A 28 7.859 -6.840 12.130 1.00 0.00 O ATOM 0 H GLY A 28 3.925 -6.545 11.398 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.447 -7.776 12.625 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.931 -8.672 11.199 1.00 0.00 H new ATOM 379 N LEU A 29 6.772 -5.870 10.400 1.00 0.00 N ATOM 380 CA LEU A 29 7.837 -4.924 10.116 1.00 0.00 C ATOM 381 C LEU A 29 7.486 -3.567 10.731 1.00 0.00 C ATOM 382 O LEU A 29 8.128 -2.561 10.432 1.00 0.00 O ATOM 383 CB LEU A 29 8.114 -4.864 8.613 1.00 0.00 C ATOM 384 CG LEU A 29 8.053 -6.199 7.866 1.00 0.00 C ATOM 385 CD1 LEU A 29 8.296 -7.371 8.819 1.00 0.00 C ATOM 386 CD2 LEU A 29 6.733 -6.341 7.106 1.00 0.00 C ATOM 0 H LEU A 29 5.961 -5.796 9.786 1.00 0.00 H new ATOM 0 HA LEU A 29 8.769 -5.252 10.576 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.395 -4.182 8.158 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.103 -4.431 8.463 1.00 0.00 H new ATOM 0 HG LEU A 29 8.853 -6.215 7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.247 -8.308 8.264 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.281 -7.271 9.276 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.533 -7.371 9.598 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.715 -7.298 6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.902 -6.296 7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.641 -5.531 6.382 1.00 0.00 H new ATOM 398 N GLU A 30 6.468 -3.583 11.579 1.00 0.00 N ATOM 399 CA GLU A 30 6.024 -2.367 12.238 1.00 0.00 C ATOM 400 C GLU A 30 7.160 -1.770 13.072 1.00 0.00 C ATOM 401 O GLU A 30 7.190 -0.564 13.313 1.00 0.00 O ATOM 402 CB GLU A 30 4.789 -2.631 13.102 1.00 0.00 C ATOM 403 CG GLU A 30 4.977 -3.886 13.957 1.00 0.00 C ATOM 404 CD GLU A 30 4.200 -3.776 15.270 1.00 0.00 C ATOM 405 OE1 GLU A 30 3.640 -2.685 15.509 1.00 0.00 O ATOM 406 OE2 GLU A 30 4.183 -4.787 16.006 1.00 0.00 O ATOM 0 H GLU A 30 5.938 -4.419 11.825 1.00 0.00 H new ATOM 0 HA GLU A 30 5.743 -1.644 11.472 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.601 -1.772 13.746 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.913 -2.749 12.464 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.640 -4.762 13.403 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.036 -4.031 14.168 1.00 0.00 H new ATOM 413 N HIS A 31 8.066 -2.642 13.489 1.00 0.00 N ATOM 414 CA HIS A 31 9.200 -2.216 14.291 1.00 0.00 C ATOM 415 C HIS A 31 10.501 -2.550 13.558 1.00 0.00 C ATOM 416 O HIS A 31 11.581 -2.483 14.142 1.00 0.00 O ATOM 417 CB HIS A 31 9.135 -2.828 15.692 1.00 0.00 C ATOM 418 CG HIS A 31 8.556 -4.222 15.728 1.00 0.00 C ATOM 419 ND1 HIS A 31 8.750 -5.140 14.711 1.00 0.00 N ATOM 420 CD2 HIS A 31 7.787 -4.844 16.667 1.00 0.00 C ATOM 421 CE1 HIS A 31 8.121 -6.261 15.034 1.00 0.00 C ATOM 422 NE2 HIS A 31 7.524 -6.075 16.246 1.00 0.00 N ATOM 0 H HIS A 31 8.038 -3.641 13.287 1.00 0.00 H new ATOM 0 HA HIS A 31 9.168 -1.135 14.428 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.140 -2.852 16.113 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.536 -2.180 16.333 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.449 -4.409 17.596 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.087 -7.163 14.441 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.967 -6.768 16.746 1.00 0.00 H new ATOM 430 N SER A 32 10.354 -2.903 12.289 1.00 0.00 N ATOM 431 CA SER A 32 11.503 -3.248 11.470 1.00 0.00 C ATOM 432 C SER A 32 11.524 -2.385 10.207 1.00 0.00 C ATOM 433 O SER A 32 12.501 -1.686 9.944 1.00 0.00 O ATOM 434 CB SER A 32 11.490 -4.732 11.099 1.00 0.00 C ATOM 435 OG SER A 32 12.775 -5.330 11.243 1.00 0.00 O ATOM 0 H SER A 32 9.456 -2.957 11.808 1.00 0.00 H new ATOM 0 HA SER A 32 12.406 -3.054 12.049 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.773 -5.257 11.730 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.151 -4.845 10.069 1.00 0.00 H new ATOM 0 HG SER A 32 12.724 -6.278 10.998 1.00 0.00 H new ATOM 441 N ALA A 33 10.433 -2.462 9.459 1.00 0.00 N ATOM 442 CA ALA A 33 10.313 -1.696 8.230 1.00 0.00 C ATOM 443 C ALA A 33 9.381 -0.505 8.464 1.00 0.00 C ATOM 444 O ALA A 33 8.648 -0.471 9.451 1.00 0.00 O ATOM 445 CB ALA A 33 9.820 -2.609 7.105 1.00 0.00 C ATOM 0 H ALA A 33 9.624 -3.043 9.680 1.00 0.00 H new ATOM 0 HA ALA A 33 11.283 -1.301 7.929 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.730 -2.034 6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.531 -3.422 6.958 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.847 -3.022 7.372 1.00 0.00 H new ATOM 451 N HIS A 34 9.440 0.442 7.540 1.00 0.00 N ATOM 452 CA HIS A 34 8.611 1.631 7.634 1.00 0.00 C ATOM 453 C HIS A 34 7.898 1.867 6.300 1.00 0.00 C ATOM 454 O HIS A 34 8.315 1.343 5.269 1.00 0.00 O ATOM 455 CB HIS A 34 9.438 2.837 8.085 1.00 0.00 C ATOM 456 CG HIS A 34 10.555 3.204 7.137 1.00 0.00 C ATOM 457 ND1 HIS A 34 11.880 2.894 7.384 1.00 0.00 N ATOM 458 CD2 HIS A 34 10.529 3.858 5.940 1.00 0.00 C ATOM 459 CE1 HIS A 34 12.611 3.346 6.375 1.00 0.00 C ATOM 460 NE2 HIS A 34 11.771 3.944 5.481 1.00 0.00 N ATOM 0 H HIS A 34 10.049 0.410 6.722 1.00 0.00 H new ATOM 0 HA HIS A 34 7.845 1.484 8.395 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.777 3.696 8.201 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.863 2.627 9.067 1.00 0.00 H new ATOM 0 HD1 HIS A 34 12.235 2.401 8.204 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.647 4.241 5.449 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.683 3.257 6.277 1.00 0.00 H new ATOM 468 N VAL A 35 6.836 2.655 6.365 1.00 0.00 N ATOM 469 CA VAL A 35 6.061 2.966 5.175 1.00 0.00 C ATOM 470 C VAL A 35 6.993 3.521 4.096 1.00 0.00 C ATOM 471 O VAL A 35 7.568 4.596 4.259 1.00 0.00 O ATOM 472 CB VAL A 35 4.920 3.923 5.529 1.00 0.00 C ATOM 473 CG1 VAL A 35 4.085 4.260 4.292 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.044 3.343 6.641 1.00 0.00 C ATOM 0 H VAL A 35 6.493 3.088 7.223 1.00 0.00 H new ATOM 0 HA VAL A 35 5.599 2.064 4.774 1.00 0.00 H new ATOM 0 HB VAL A 35 5.360 4.849 5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.281 4.941 4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.719 4.734 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.659 3.345 3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.241 4.042 6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.616 2.396 6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.650 3.177 7.532 1.00 0.00 H new ATOM 484 N LEU A 36 7.114 2.762 3.017 1.00 0.00 N ATOM 485 CA LEU A 36 7.967 3.164 1.911 1.00 0.00 C ATOM 486 C LEU A 36 7.649 4.610 1.528 1.00 0.00 C ATOM 487 O LEU A 36 6.522 4.923 1.147 1.00 0.00 O ATOM 488 CB LEU A 36 7.837 2.177 0.749 1.00 0.00 C ATOM 489 CG LEU A 36 8.962 2.210 -0.288 1.00 0.00 C ATOM 490 CD1 LEU A 36 8.404 2.085 -1.707 1.00 0.00 C ATOM 491 CD2 LEU A 36 9.825 3.462 -0.120 1.00 0.00 C ATOM 0 H LEU A 36 6.636 1.871 2.885 1.00 0.00 H new ATOM 0 HA LEU A 36 9.015 3.136 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.777 1.169 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.893 2.370 0.239 1.00 0.00 H new ATOM 0 HG LEU A 36 9.608 1.348 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.224 2.111 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.867 1.142 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.723 2.913 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.617 3.461 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.206 4.350 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.268 3.468 0.876 1.00 0.00 H new ATOM 503 N GLU A 37 8.664 5.455 1.642 1.00 0.00 N ATOM 504 CA GLU A 37 8.507 6.862 1.313 1.00 0.00 C ATOM 505 C GLU A 37 9.362 7.220 0.095 1.00 0.00 C ATOM 506 O GLU A 37 10.536 6.859 0.029 1.00 0.00 O ATOM 507 CB GLU A 37 8.858 7.748 2.509 1.00 0.00 C ATOM 508 CG GLU A 37 7.604 8.120 3.303 1.00 0.00 C ATOM 509 CD GLU A 37 7.915 8.239 4.796 1.00 0.00 C ATOM 510 OE1 GLU A 37 8.335 9.344 5.202 1.00 0.00 O ATOM 511 OE2 GLU A 37 7.726 7.222 5.498 1.00 0.00 O ATOM 0 H GLU A 37 9.598 5.192 1.957 1.00 0.00 H new ATOM 0 HA GLU A 37 7.461 7.043 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.562 7.227 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.355 8.654 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.203 9.065 2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.834 7.365 3.148 1.00 0.00 H new ATOM 518 N LYS A 38 8.740 7.926 -0.838 1.00 0.00 N ATOM 519 CA LYS A 38 9.429 8.337 -2.049 1.00 0.00 C ATOM 520 C LYS A 38 8.911 9.709 -2.485 1.00 0.00 C ATOM 521 O LYS A 38 7.739 10.025 -2.288 1.00 0.00 O ATOM 522 CB LYS A 38 9.304 7.261 -3.129 1.00 0.00 C ATOM 523 CG LYS A 38 10.374 7.439 -4.208 1.00 0.00 C ATOM 524 CD LYS A 38 10.620 6.128 -4.957 1.00 0.00 C ATOM 525 CE LYS A 38 11.066 6.394 -6.396 1.00 0.00 C ATOM 526 NZ LYS A 38 12.287 7.231 -6.413 1.00 0.00 N ATOM 0 H LYS A 38 7.766 8.224 -0.779 1.00 0.00 H new ATOM 0 HA LYS A 38 10.497 8.444 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.400 6.274 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.314 7.309 -3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.061 8.211 -4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.303 7.781 -3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.382 5.546 -4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.709 5.530 -4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.258 5.449 -6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.267 6.894 -6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.711 7.208 -7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.040 8.211 -6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.970 6.863 -5.720 1.00 0.00 H new ATOM 540 N GLY A 39 9.810 10.488 -3.068 1.00 0.00 N ATOM 541 CA GLY A 39 9.458 11.818 -3.534 1.00 0.00 C ATOM 542 C GLY A 39 8.530 12.519 -2.540 1.00 0.00 C ATOM 543 O GLY A 39 7.493 13.057 -2.926 1.00 0.00 O ATOM 0 H GLY A 39 10.782 10.223 -3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.363 12.410 -3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.970 11.749 -4.506 1.00 0.00 H new ATOM 547 N GLY A 40 8.936 12.491 -1.279 1.00 0.00 N ATOM 548 CA GLY A 40 8.153 13.116 -0.227 1.00 0.00 C ATOM 549 C GLY A 40 6.700 12.637 -0.265 1.00 0.00 C ATOM 550 O GLY A 40 5.780 13.414 -0.017 1.00 0.00 O ATOM 0 H GLY A 40 9.797 12.045 -0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.591 12.884 0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.185 14.200 -0.340 1.00 0.00 H new ATOM 554 N LYS A 41 6.541 11.359 -0.577 1.00 0.00 N ATOM 555 CA LYS A 41 5.216 10.767 -0.650 1.00 0.00 C ATOM 556 C LYS A 41 5.224 9.418 0.073 1.00 0.00 C ATOM 557 O LYS A 41 6.128 8.608 -0.127 1.00 0.00 O ATOM 558 CB LYS A 41 4.747 10.682 -2.104 1.00 0.00 C ATOM 559 CG LYS A 41 4.285 12.049 -2.612 1.00 0.00 C ATOM 560 CD LYS A 41 2.854 12.347 -2.162 1.00 0.00 C ATOM 561 CE LYS A 41 1.850 12.008 -3.266 1.00 0.00 C ATOM 562 NZ LYS A 41 0.672 12.900 -3.187 1.00 0.00 N ATOM 0 H LYS A 41 7.307 10.718 -0.782 1.00 0.00 H new ATOM 0 HA LYS A 41 4.488 11.398 -0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.559 10.313 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.930 9.965 -2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.955 12.824 -2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.340 12.074 -3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.623 11.771 -1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.765 13.400 -1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.325 12.109 -4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.534 10.969 -3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.001 12.656 -3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.210 12.783 -2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.977 13.888 -3.300 1.00 0.00 H new ATOM 576 N VAL A 42 4.207 9.219 0.898 1.00 0.00 N ATOM 577 CA VAL A 42 4.086 7.983 1.652 1.00 0.00 C ATOM 578 C VAL A 42 3.234 6.989 0.860 1.00 0.00 C ATOM 579 O VAL A 42 2.212 7.362 0.286 1.00 0.00 O ATOM 580 CB VAL A 42 3.525 8.273 3.046 1.00 0.00 C ATOM 581 CG1 VAL A 42 2.963 7.002 3.686 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.586 8.915 3.941 1.00 0.00 C ATOM 0 H VAL A 42 3.459 9.893 1.061 1.00 0.00 H new ATOM 0 HA VAL A 42 5.065 7.528 1.799 1.00 0.00 H new ATOM 0 HB VAL A 42 2.705 8.983 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.571 7.236 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.162 6.604 3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.755 6.259 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.161 9.111 4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.436 8.239 4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.918 9.853 3.496 1.00 0.00 H new ATOM 592 N PHE A 43 3.687 5.744 0.854 1.00 0.00 N ATOM 593 CA PHE A 43 2.979 4.694 0.142 1.00 0.00 C ATOM 594 C PHE A 43 1.842 4.124 0.993 1.00 0.00 C ATOM 595 O PHE A 43 1.810 2.926 1.270 1.00 0.00 O ATOM 596 CB PHE A 43 3.993 3.584 -0.142 1.00 0.00 C ATOM 597 CG PHE A 43 4.906 3.867 -1.337 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.563 5.054 -1.425 1.00 0.00 C ATOM 599 CD2 PHE A 43 5.060 2.931 -2.312 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.410 5.316 -2.534 1.00 0.00 C ATOM 601 CE2 PHE A 43 5.907 3.193 -3.421 1.00 0.00 C ATOM 602 CZ PHE A 43 6.564 4.380 -3.509 1.00 0.00 C ATOM 0 H PHE A 43 4.536 5.439 1.331 1.00 0.00 H new ATOM 0 HA PHE A 43 2.545 5.094 -0.775 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.609 3.432 0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.456 2.652 -0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.441 5.798 -0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.538 1.988 -2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.932 6.259 -2.604 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.029 2.449 -4.195 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.208 4.580 -4.353 1.00 0.00 H new ATOM 612 N SER A 44 0.937 5.009 1.384 1.00 0.00 N ATOM 613 CA SER A 44 -0.198 4.609 2.198 1.00 0.00 C ATOM 614 C SER A 44 -1.480 5.243 1.655 1.00 0.00 C ATOM 615 O SER A 44 -1.784 6.396 1.958 1.00 0.00 O ATOM 616 CB SER A 44 0.009 5.001 3.662 1.00 0.00 C ATOM 617 OG SER A 44 -0.313 3.935 4.551 1.00 0.00 O ATOM 0 H SER A 44 0.967 6.002 1.152 1.00 0.00 H new ATOM 0 HA SER A 44 -0.288 3.524 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.046 5.299 3.814 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.609 5.868 3.896 1.00 0.00 H new ATOM 0 HG SER A 44 -0.166 4.224 5.476 1.00 0.00 H new ATOM 623 N ALA A 45 -2.199 4.461 0.862 1.00 0.00 N ATOM 624 CA ALA A 45 -3.441 4.932 0.274 1.00 0.00 C ATOM 625 C ALA A 45 -4.599 4.071 0.783 1.00 0.00 C ATOM 626 O ALA A 45 -4.528 2.843 0.746 1.00 0.00 O ATOM 627 CB ALA A 45 -3.325 4.910 -1.251 1.00 0.00 C ATOM 0 H ALA A 45 -1.945 3.505 0.613 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.640 5.962 0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.257 5.263 -1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.507 5.559 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.128 3.892 -1.586 1.00 0.00 H new ATOM 633 N THR A 46 -5.640 4.748 1.246 1.00 0.00 N ATOM 634 CA THR A 46 -6.811 4.060 1.761 1.00 0.00 C ATOM 635 C THR A 46 -7.964 4.147 0.759 1.00 0.00 C ATOM 636 O THR A 46 -8.448 5.236 0.456 1.00 0.00 O ATOM 637 CB THR A 46 -7.148 4.660 3.128 1.00 0.00 C ATOM 638 OG1 THR A 46 -6.055 4.272 3.956 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.362 3.992 3.777 1.00 0.00 C ATOM 0 H THR A 46 -5.696 5.766 1.275 1.00 0.00 H new ATOM 0 HA THR A 46 -6.618 2.996 1.895 1.00 0.00 H new ATOM 0 HB THR A 46 -7.336 5.728 3.019 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.191 4.621 4.862 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.558 4.455 4.744 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.233 4.115 3.133 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.161 2.930 3.917 1.00 0.00 H new ATOM 647 N LEU A 47 -8.371 2.984 0.273 1.00 0.00 N ATOM 648 CA LEU A 47 -9.458 2.914 -0.689 1.00 0.00 C ATOM 649 C LEU A 47 -10.758 2.570 0.041 1.00 0.00 C ATOM 650 O LEU A 47 -10.732 2.140 1.194 1.00 0.00 O ATOM 651 CB LEU A 47 -9.113 1.943 -1.819 1.00 0.00 C ATOM 652 CG LEU A 47 -8.714 2.580 -3.152 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.894 3.852 -2.928 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.980 1.574 -4.042 1.00 0.00 C ATOM 0 H LEU A 47 -7.968 2.082 0.527 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.606 3.883 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.296 1.304 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.973 1.296 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.623 2.872 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.623 4.285 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.485 4.571 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.988 3.608 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.708 2.052 -4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.078 1.230 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.631 0.723 -4.242 1.00 0.00 H new ATOM 666 N GLY A 48 -11.865 2.773 -0.659 1.00 0.00 N ATOM 667 CA GLY A 48 -13.172 2.489 -0.092 1.00 0.00 C ATOM 668 C GLY A 48 -14.240 2.416 -1.185 1.00 0.00 C ATOM 669 O GLY A 48 -14.324 3.300 -2.035 1.00 0.00 O ATOM 0 H GLY A 48 -11.883 3.131 -1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.139 1.545 0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.436 3.263 0.628 1.00 0.00 H new ATOM 673 N LEU A 49 -15.028 1.352 -1.127 1.00 0.00 N ATOM 674 CA LEU A 49 -16.087 1.152 -2.101 1.00 0.00 C ATOM 675 C LEU A 49 -17.301 0.530 -1.408 1.00 0.00 C ATOM 676 O LEU A 49 -17.160 -0.405 -0.622 1.00 0.00 O ATOM 677 CB LEU A 49 -15.574 0.337 -3.290 1.00 0.00 C ATOM 678 CG LEU A 49 -16.564 0.127 -4.437 1.00 0.00 C ATOM 679 CD1 LEU A 49 -16.245 1.052 -5.614 1.00 0.00 C ATOM 680 CD2 LEU A 49 -16.610 -1.343 -4.860 1.00 0.00 C ATOM 0 H LEU A 49 -14.954 0.620 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 49 -16.410 2.108 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -14.687 0.831 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.258 -0.641 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 49 -17.560 0.391 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -16.964 0.882 -6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.304 2.090 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.239 0.843 -5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -17.321 -1.464 -5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.620 -1.657 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -16.921 -1.956 -4.014 1.00 0.00 H new ATOM 692 N VAL A 50 -18.467 1.074 -1.725 1.00 0.00 N ATOM 693 CA VAL A 50 -19.704 0.584 -1.143 1.00 0.00 C ATOM 694 C VAL A 50 -20.793 0.558 -2.218 1.00 0.00 C ATOM 695 O VAL A 50 -21.083 1.580 -2.838 1.00 0.00 O ATOM 696 CB VAL A 50 -20.083 1.434 0.072 1.00 0.00 C ATOM 697 CG1 VAL A 50 -19.392 2.798 0.024 1.00 0.00 C ATOM 698 CG2 VAL A 50 -21.601 1.592 0.178 1.00 0.00 C ATOM 0 H VAL A 50 -18.581 1.850 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.579 -0.437 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.737 0.915 0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -19.678 3.382 0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -18.311 2.658 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -19.694 3.327 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -21.844 2.200 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -21.980 2.079 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -22.063 0.610 0.281 1.00 0.00 H new ATOM 708 N ASP A 51 -21.367 -0.621 -2.405 1.00 0.00 N ATOM 709 CA ASP A 51 -22.418 -0.794 -3.394 1.00 0.00 C ATOM 710 C ASP A 51 -23.734 -0.253 -2.832 1.00 0.00 C ATOM 711 O ASP A 51 -24.037 -0.446 -1.656 1.00 0.00 O ATOM 712 CB ASP A 51 -22.619 -2.272 -3.731 1.00 0.00 C ATOM 713 CG ASP A 51 -22.962 -2.561 -5.194 1.00 0.00 C ATOM 714 OD1 ASP A 51 -24.124 -2.291 -5.568 1.00 0.00 O ATOM 715 OD2 ASP A 51 -22.055 -3.044 -5.905 1.00 0.00 O ATOM 0 H ASP A 51 -21.124 -1.466 -1.888 1.00 0.00 H new ATOM 0 HA ASP A 51 -22.125 -0.256 -4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.710 -2.815 -3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -23.416 -2.667 -3.102 1.00 0.00 H new ATOM 720 N ILE A 52 -24.482 0.413 -3.700 1.00 0.00 N ATOM 721 CA ILE A 52 -25.759 0.983 -3.305 1.00 0.00 C ATOM 722 C ILE A 52 -26.839 -0.098 -3.378 1.00 0.00 C ATOM 723 O ILE A 52 -27.781 -0.093 -2.588 1.00 0.00 O ATOM 724 CB ILE A 52 -26.073 2.224 -4.143 1.00 0.00 C ATOM 725 CG1 ILE A 52 -27.466 2.768 -3.816 1.00 0.00 C ATOM 726 CG2 ILE A 52 -25.906 1.935 -5.636 1.00 0.00 C ATOM 727 CD1 ILE A 52 -27.413 4.267 -3.518 1.00 0.00 C ATOM 0 H ILE A 52 -24.228 0.571 -4.675 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.720 1.326 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 52 -25.354 3.002 -3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -28.138 2.584 -4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -27.875 2.237 -2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -26.135 2.834 -6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -24.879 1.630 -5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -26.585 1.135 -5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -28.416 4.628 -3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -26.759 4.445 -2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -27.026 4.798 -4.388 1.00 0.00 H new ATOM 739 N VAL A 53 -26.666 -0.999 -4.335 1.00 0.00 N ATOM 740 CA VAL A 53 -27.614 -2.083 -4.521 1.00 0.00 C ATOM 741 C VAL A 53 -27.289 -3.213 -3.542 1.00 0.00 C ATOM 742 O VAL A 53 -28.102 -3.547 -2.682 1.00 0.00 O ATOM 743 CB VAL A 53 -27.609 -2.538 -5.982 1.00 0.00 C ATOM 744 CG1 VAL A 53 -28.119 -3.975 -6.111 1.00 0.00 C ATOM 745 CG2 VAL A 53 -28.427 -1.585 -6.856 1.00 0.00 C ATOM 0 H VAL A 53 -25.883 -1.000 -4.989 1.00 0.00 H new ATOM 0 HA VAL A 53 -28.627 -1.745 -4.303 1.00 0.00 H new ATOM 0 HB VAL A 53 -26.578 -2.516 -6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -28.105 -4.273 -7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -27.477 -4.642 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -29.139 -4.035 -5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -28.407 -1.931 -7.889 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -29.457 -1.560 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -28.000 -0.584 -6.801 1.00 0.00 H new ATOM 755 N LYS A 54 -26.099 -3.771 -3.707 1.00 0.00 N ATOM 756 CA LYS A 54 -25.656 -4.857 -2.848 1.00 0.00 C ATOM 757 C LYS A 54 -25.562 -4.355 -1.406 1.00 0.00 C ATOM 758 O LYS A 54 -25.537 -5.151 -0.468 1.00 0.00 O ATOM 759 CB LYS A 54 -24.352 -5.459 -3.376 1.00 0.00 C ATOM 760 CG LYS A 54 -24.584 -6.203 -4.692 1.00 0.00 C ATOM 761 CD LYS A 54 -24.452 -7.715 -4.498 1.00 0.00 C ATOM 762 CE LYS A 54 -23.818 -8.372 -5.726 1.00 0.00 C ATOM 763 NZ LYS A 54 -24.761 -9.328 -6.347 1.00 0.00 N ATOM 0 H LYS A 54 -25.428 -3.492 -4.422 1.00 0.00 H new ATOM 0 HA LYS A 54 -26.382 -5.670 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -23.617 -4.668 -3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -23.937 -6.143 -2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -25.576 -5.967 -5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.864 -5.864 -5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -23.844 -7.921 -3.617 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -25.435 -8.149 -4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -23.536 -7.608 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -22.903 -8.890 -5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -24.315 -9.765 -7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -25.009 -10.067 -5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -25.623 -8.825 -6.640 1.00 0.00 H new ATOM 777 N GLY A 55 -25.514 -3.038 -1.273 1.00 0.00 N ATOM 778 CA GLY A 55 -25.424 -2.420 0.039 1.00 0.00 C ATOM 779 C GLY A 55 -24.225 -2.963 0.819 1.00 0.00 C ATOM 780 O GLY A 55 -24.228 -2.962 2.049 1.00 0.00 O ATOM 0 H GLY A 55 -25.536 -2.381 -2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.333 -1.339 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.341 -2.608 0.597 1.00 0.00 H new ATOM 784 N THR A 56 -23.228 -3.413 0.071 1.00 0.00 N ATOM 785 CA THR A 56 -22.025 -3.957 0.678 1.00 0.00 C ATOM 786 C THR A 56 -20.911 -2.908 0.686 1.00 0.00 C ATOM 787 O THR A 56 -20.563 -2.358 -0.357 1.00 0.00 O ATOM 788 CB THR A 56 -21.651 -5.234 -0.078 1.00 0.00 C ATOM 789 OG1 THR A 56 -21.896 -4.913 -1.444 1.00 0.00 O ATOM 790 CG2 THR A 56 -22.613 -6.388 0.212 1.00 0.00 C ATOM 0 H THR A 56 -23.229 -3.412 -0.949 1.00 0.00 H new ATOM 0 HA THR A 56 -22.192 -4.217 1.723 1.00 0.00 H new ATOM 0 HB THR A 56 -20.637 -5.531 0.189 1.00 0.00 H new ATOM 0 HG1 THR A 56 -21.678 -5.686 -2.006 1.00 0.00 H new ATOM 0 HG21 THR A 56 -22.303 -7.270 -0.349 1.00 0.00 H new ATOM 0 HG22 THR A 56 -22.600 -6.613 1.278 1.00 0.00 H new ATOM 0 HG23 THR A 56 -23.622 -6.104 -0.087 1.00 0.00 H new ATOM 798 N ASN A 57 -20.382 -2.664 1.876 1.00 0.00 N ATOM 799 CA ASN A 57 -19.314 -1.691 2.035 1.00 0.00 C ATOM 800 C ASN A 57 -17.968 -2.418 2.068 1.00 0.00 C ATOM 801 O ASN A 57 -17.800 -3.386 2.808 1.00 0.00 O ATOM 802 CB ASN A 57 -19.465 -0.916 3.345 1.00 0.00 C ATOM 803 CG ASN A 57 -20.788 -0.147 3.378 1.00 0.00 C ATOM 804 OD1 ASN A 57 -21.793 -0.566 2.827 1.00 0.00 O ATOM 805 ND2 ASN A 57 -20.732 0.997 4.054 1.00 0.00 N ATOM 0 H ASN A 57 -20.673 -3.123 2.739 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.364 -0.996 1.197 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.420 -1.606 4.187 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.633 -0.221 3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -21.563 1.583 4.135 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.858 1.289 4.491 1.00 0.00 H new ATOM 812 N SER A 58 -17.045 -1.923 1.257 1.00 0.00 N ATOM 813 CA SER A 58 -15.719 -2.513 1.185 1.00 0.00 C ATOM 814 C SER A 58 -14.653 -1.428 1.352 1.00 0.00 C ATOM 815 O SER A 58 -14.908 -0.256 1.083 1.00 0.00 O ATOM 816 CB SER A 58 -15.518 -3.255 -0.138 1.00 0.00 C ATOM 817 OG SER A 58 -16.514 -4.253 -0.348 1.00 0.00 O ATOM 0 H SER A 58 -17.189 -1.120 0.644 1.00 0.00 H new ATOM 0 HA SER A 58 -15.622 -3.236 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.541 -2.541 -0.961 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.532 -3.720 -0.147 1.00 0.00 H new ATOM 0 HG SER A 58 -16.351 -4.702 -1.204 1.00 0.00 H new ATOM 823 N TYR A 59 -13.481 -1.859 1.795 1.00 0.00 N ATOM 824 CA TYR A 59 -12.376 -0.939 2.002 1.00 0.00 C ATOM 825 C TYR A 59 -11.036 -1.614 1.699 1.00 0.00 C ATOM 826 O TYR A 59 -10.753 -2.696 2.211 1.00 0.00 O ATOM 827 CB TYR A 59 -12.417 -0.555 3.482 1.00 0.00 C ATOM 828 CG TYR A 59 -11.948 -1.665 4.425 1.00 0.00 C ATOM 829 CD1 TYR A 59 -12.846 -2.609 4.881 1.00 0.00 C ATOM 830 CD2 TYR A 59 -10.627 -1.722 4.821 1.00 0.00 C ATOM 831 CE1 TYR A 59 -12.405 -3.653 5.769 1.00 0.00 C ATOM 832 CE2 TYR A 59 -10.186 -2.767 5.709 1.00 0.00 C ATOM 833 CZ TYR A 59 -11.096 -3.680 6.139 1.00 0.00 C ATOM 834 OH TYR A 59 -10.680 -4.667 6.977 1.00 0.00 O ATOM 0 H TYR A 59 -13.273 -2.833 2.016 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.468 -0.075 1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.794 0.326 3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.437 -0.274 3.746 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.880 -2.564 4.572 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.924 -0.983 4.465 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -13.097 -4.398 6.133 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.155 -2.824 6.026 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.722 -4.563 7.155 1.00 0.00 H new ATOM 844 N TYR A 60 -10.248 -0.948 0.868 1.00 0.00 N ATOM 845 CA TYR A 60 -8.946 -1.470 0.491 1.00 0.00 C ATOM 846 C TYR A 60 -7.824 -0.560 0.994 1.00 0.00 C ATOM 847 O TYR A 60 -7.717 0.591 0.573 1.00 0.00 O ATOM 848 CB TYR A 60 -8.925 -1.487 -1.039 1.00 0.00 C ATOM 849 CG TYR A 60 -7.591 -1.936 -1.638 1.00 0.00 C ATOM 850 CD1 TYR A 60 -7.189 -3.251 -1.520 1.00 0.00 C ATOM 851 CD2 TYR A 60 -6.789 -1.026 -2.297 1.00 0.00 C ATOM 852 CE1 TYR A 60 -5.934 -3.674 -2.084 1.00 0.00 C ATOM 853 CE2 TYR A 60 -5.534 -1.449 -2.861 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.168 -2.752 -2.727 1.00 0.00 C ATOM 855 OH TYR A 60 -3.982 -3.151 -3.259 1.00 0.00 O ATOM 0 H TYR A 60 -10.486 -0.051 0.445 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.790 -2.459 0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.713 -2.150 -1.396 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.159 -0.488 -1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.816 -3.963 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.103 0.003 -2.389 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.608 -4.700 -1.999 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.897 -0.747 -3.379 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.141 -3.852 -3.925 1.00 0.00 H new ATOM 865 N LYS A 61 -7.015 -1.110 1.888 1.00 0.00 N ATOM 866 CA LYS A 61 -5.905 -0.362 2.453 1.00 0.00 C ATOM 867 C LYS A 61 -4.607 -0.780 1.757 1.00 0.00 C ATOM 868 O LYS A 61 -4.349 -1.969 1.580 1.00 0.00 O ATOM 869 CB LYS A 61 -5.867 -0.526 3.974 1.00 0.00 C ATOM 870 CG LYS A 61 -6.138 0.807 4.675 1.00 0.00 C ATOM 871 CD LYS A 61 -4.831 1.543 4.976 1.00 0.00 C ATOM 872 CE LYS A 61 -4.585 1.631 6.483 1.00 0.00 C ATOM 873 NZ LYS A 61 -3.853 0.436 6.959 1.00 0.00 N ATOM 0 H LYS A 61 -7.106 -2.065 2.235 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.035 0.705 2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.610 -1.261 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.893 -0.910 4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.774 1.430 4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.682 0.630 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.000 1.025 4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.868 2.546 4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.013 2.530 6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.536 1.715 7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.827 0.436 7.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.335 -0.423 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.881 0.454 6.589 1.00 0.00 H new ATOM 887 N LEU A 62 -3.826 0.222 1.382 1.00 0.00 N ATOM 888 CA LEU A 62 -2.562 -0.026 0.709 1.00 0.00 C ATOM 889 C LEU A 62 -1.416 0.498 1.577 1.00 0.00 C ATOM 890 O LEU A 62 -1.514 1.581 2.153 1.00 0.00 O ATOM 891 CB LEU A 62 -2.582 0.561 -0.704 1.00 0.00 C ATOM 892 CG LEU A 62 -2.482 -0.448 -1.850 1.00 0.00 C ATOM 893 CD1 LEU A 62 -1.876 0.199 -3.097 1.00 0.00 C ATOM 894 CD2 LEU A 62 -1.708 -1.695 -1.418 1.00 0.00 C ATOM 0 H LEU A 62 -4.044 1.207 1.531 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.402 -1.097 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.503 1.130 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.757 1.267 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.490 -0.770 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.816 -0.539 -3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.504 1.031 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.876 0.567 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.652 -2.395 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.700 -1.411 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.219 -2.169 -0.580 1.00 0.00 H new ATOM 906 N GLN A 63 -0.356 -0.293 1.643 1.00 0.00 N ATOM 907 CA GLN A 63 0.808 0.078 2.430 1.00 0.00 C ATOM 908 C GLN A 63 2.036 -0.705 1.963 1.00 0.00 C ATOM 909 O GLN A 63 2.019 -1.935 1.932 1.00 0.00 O ATOM 910 CB GLN A 63 0.552 -0.142 3.922 1.00 0.00 C ATOM 911 CG GLN A 63 -0.585 0.752 4.422 1.00 0.00 C ATOM 912 CD GLN A 63 -0.658 0.743 5.950 1.00 0.00 C ATOM 913 OE1 GLN A 63 -1.427 0.015 6.556 1.00 0.00 O ATOM 914 NE2 GLN A 63 0.182 1.591 6.537 1.00 0.00 N ATOM 0 H GLN A 63 -0.278 -1.190 1.164 1.00 0.00 H new ATOM 0 HA GLN A 63 1.001 1.140 2.280 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.303 -1.188 4.101 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.461 0.070 4.486 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.433 1.772 4.068 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.532 0.408 4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.799 2.172 5.970 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.209 1.660 7.554 1.00 0.00 H new ATOM 923 N LEU A 64 3.074 0.040 1.611 1.00 0.00 N ATOM 924 CA LEU A 64 4.309 -0.569 1.147 1.00 0.00 C ATOM 925 C LEU A 64 5.404 -0.353 2.194 1.00 0.00 C ATOM 926 O LEU A 64 5.970 0.735 2.289 1.00 0.00 O ATOM 927 CB LEU A 64 4.675 -0.046 -0.243 1.00 0.00 C ATOM 928 CG LEU A 64 6.075 -0.402 -0.747 1.00 0.00 C ATOM 929 CD1 LEU A 64 6.481 -1.805 -0.291 1.00 0.00 C ATOM 930 CD2 LEU A 64 6.168 -0.244 -2.266 1.00 0.00 C ATOM 0 H LEU A 64 3.085 1.060 1.638 1.00 0.00 H new ATOM 0 HA LEU A 64 4.184 -1.646 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.945 -0.428 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.577 1.040 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 64 6.785 0.298 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.480 -2.033 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.480 -1.848 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.772 -2.534 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.173 -0.503 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.446 -0.905 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.951 0.789 -2.538 1.00 0.00 H new ATOM 942 N LEU A 65 5.669 -1.407 2.952 1.00 0.00 N ATOM 943 CA LEU A 65 6.686 -1.346 3.988 1.00 0.00 C ATOM 944 C LEU A 65 8.070 -1.463 3.346 1.00 0.00 C ATOM 945 O LEU A 65 8.312 -2.365 2.545 1.00 0.00 O ATOM 946 CB LEU A 65 6.417 -2.398 5.066 1.00 0.00 C ATOM 947 CG LEU A 65 4.962 -2.540 5.516 1.00 0.00 C ATOM 948 CD1 LEU A 65 4.815 -3.653 6.555 1.00 0.00 C ATOM 949 CD2 LEU A 65 4.413 -1.205 6.024 1.00 0.00 C ATOM 0 H LEU A 65 5.197 -2.308 2.869 1.00 0.00 H new ATOM 0 HA LEU A 65 6.652 -0.384 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.758 -3.365 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.025 -2.159 5.939 1.00 0.00 H new ATOM 0 HG LEU A 65 4.363 -2.827 4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.771 -3.733 6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.141 -4.599 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.429 -3.421 7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.377 -1.333 6.338 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.009 -0.865 6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.461 -0.464 5.226 1.00 0.00 H new ATOM 961 N GLU A 66 8.942 -0.539 3.721 1.00 0.00 N ATOM 962 CA GLU A 66 10.295 -0.528 3.192 1.00 0.00 C ATOM 963 C GLU A 66 11.303 -0.819 4.306 1.00 0.00 C ATOM 964 O GLU A 66 11.117 -0.391 5.444 1.00 0.00 O ATOM 965 CB GLU A 66 10.605 0.804 2.506 1.00 0.00 C ATOM 966 CG GLU A 66 10.791 1.921 3.536 1.00 0.00 C ATOM 967 CD GLU A 66 11.462 3.142 2.905 1.00 0.00 C ATOM 968 OE1 GLU A 66 12.621 2.989 2.465 1.00 0.00 O ATOM 969 OE2 GLU A 66 10.800 4.202 2.878 1.00 0.00 O ATOM 0 H GLU A 66 8.738 0.208 4.385 1.00 0.00 H new ATOM 0 HA GLU A 66 10.377 -1.313 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.508 0.706 1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.795 1.064 1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.823 2.206 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.396 1.558 4.367 1.00 0.00 H new ATOM 976 N ASP A 67 12.350 -1.544 3.938 1.00 0.00 N ATOM 977 CA ASP A 67 13.387 -1.897 4.892 1.00 0.00 C ATOM 978 C ASP A 67 14.000 -0.619 5.468 1.00 0.00 C ATOM 979 O ASP A 67 14.099 0.393 4.776 1.00 0.00 O ATOM 980 CB ASP A 67 14.505 -2.696 4.220 1.00 0.00 C ATOM 981 CG ASP A 67 15.674 -3.069 5.134 1.00 0.00 C ATOM 982 OD1 ASP A 67 15.436 -3.877 6.058 1.00 0.00 O ATOM 983 OD2 ASP A 67 16.778 -2.539 4.888 1.00 0.00 O ATOM 0 H ASP A 67 12.502 -1.896 2.993 1.00 0.00 H new ATOM 0 HA ASP A 67 12.932 -2.503 5.676 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.080 -3.611 3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.890 -2.117 3.381 1.00 0.00 H new ATOM 988 N ASP A 68 14.396 -0.707 6.730 1.00 0.00 N ATOM 989 CA ASP A 68 14.997 0.430 7.407 1.00 0.00 C ATOM 990 C ASP A 68 15.895 1.186 6.426 1.00 0.00 C ATOM 991 O ASP A 68 15.862 2.414 6.368 1.00 0.00 O ATOM 992 CB ASP A 68 15.861 -0.025 8.585 1.00 0.00 C ATOM 993 CG ASP A 68 15.182 -1.004 9.545 1.00 0.00 C ATOM 994 OD1 ASP A 68 15.160 -2.207 9.207 1.00 0.00 O ATOM 995 OD2 ASP A 68 14.701 -0.527 10.596 1.00 0.00 O ATOM 0 H ASP A 68 14.312 -1.548 7.301 1.00 0.00 H new ATOM 0 HA ASP A 68 14.193 1.068 7.774 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.765 -0.491 8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.174 0.855 9.148 1.00 0.00 H new ATOM 1051 N ARG A 72 15.016 -5.724 2.018 1.00 0.00 N ATOM 1052 CA ARG A 72 13.833 -6.474 1.631 1.00 0.00 C ATOM 1053 C ARG A 72 12.572 -5.650 1.897 1.00 0.00 C ATOM 1054 O ARG A 72 12.533 -4.853 2.833 1.00 0.00 O ATOM 1055 CB ARG A 72 13.743 -7.795 2.397 1.00 0.00 C ATOM 1056 CG ARG A 72 13.278 -8.929 1.482 1.00 0.00 C ATOM 1057 CD ARG A 72 12.873 -10.160 2.296 1.00 0.00 C ATOM 1058 NE ARG A 72 12.744 -11.335 1.406 1.00 0.00 N ATOM 1059 CZ ARG A 72 12.771 -12.606 1.831 1.00 0.00 C ATOM 1060 NH1 ARG A 72 12.922 -12.873 3.135 1.00 0.00 N ATOM 1061 NH2 ARG A 72 12.646 -13.609 0.952 1.00 0.00 N ATOM 0 HA ARG A 72 13.911 -6.690 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.717 -8.041 2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.050 -7.689 3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.434 -8.593 0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.077 -9.193 0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.618 -10.357 3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.928 -9.974 2.806 1.00 0.00 H new ATOM 0 HE ARG A 72 12.627 -11.167 0.407 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.016 -12.109 3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.943 -13.840 3.459 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.530 -13.406 -0.041 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.667 -14.576 1.275 1.00 0.00 H new ATOM 1075 N TYR A 73 11.571 -5.871 1.057 1.00 0.00 N ATOM 1076 CA TYR A 73 10.312 -5.158 1.190 1.00 0.00 C ATOM 1077 C TYR A 73 9.130 -6.130 1.190 1.00 0.00 C ATOM 1078 O TYR A 73 9.280 -7.295 0.827 1.00 0.00 O ATOM 1079 CB TYR A 73 10.210 -4.250 -0.038 1.00 0.00 C ATOM 1080 CG TYR A 73 11.195 -3.080 -0.030 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.553 -3.321 -0.057 1.00 0.00 C ATOM 1082 CD2 TYR A 73 10.725 -1.783 0.005 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.481 -2.219 -0.050 1.00 0.00 C ATOM 1084 CE2 TYR A 73 11.652 -0.681 0.012 1.00 0.00 C ATOM 1085 CZ TYR A 73 12.984 -0.954 -0.015 1.00 0.00 C ATOM 1086 OH TYR A 73 13.860 0.087 -0.008 1.00 0.00 O ATOM 0 H TYR A 73 11.606 -6.533 0.282 1.00 0.00 H new ATOM 0 HA TYR A 73 10.283 -4.600 2.126 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.379 -4.847 -0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.195 -3.857 -0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.921 -4.336 -0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.662 -1.594 0.027 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.547 -2.394 -0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.298 0.339 0.038 1.00 0.00 H new ATOM 0 HH TYR A 73 14.675 -0.168 -0.488 1.00 0.00 H new ATOM 1096 N TRP A 74 7.981 -5.614 1.603 1.00 0.00 N ATOM 1097 CA TRP A 74 6.775 -6.422 1.656 1.00 0.00 C ATOM 1098 C TRP A 74 5.642 -5.622 1.008 1.00 0.00 C ATOM 1099 O TRP A 74 5.789 -4.428 0.751 1.00 0.00 O ATOM 1100 CB TRP A 74 6.461 -6.845 3.092 1.00 0.00 C ATOM 1101 CG TRP A 74 7.506 -7.778 3.708 1.00 0.00 C ATOM 1102 CD1 TRP A 74 7.424 -9.102 3.893 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.803 -7.399 4.216 1.00 0.00 C ATOM 1104 NE1 TRP A 74 8.568 -9.603 4.481 1.00 0.00 N ATOM 1105 CE2 TRP A 74 9.433 -8.534 4.683 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.423 -6.139 4.279 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.715 -8.523 5.246 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.704 -6.145 4.844 1.00 0.00 C ATOM 1109 CH2 TRP A 74 11.352 -7.279 5.319 1.00 0.00 C ATOM 0 H TRP A 74 7.860 -4.647 1.904 1.00 0.00 H new ATOM 0 HA TRP A 74 6.908 -7.351 1.101 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.375 -5.953 3.712 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.490 -7.341 3.110 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.570 -9.702 3.617 1.00 0.00 H new ATOM 0 HE1 TRP A 74 8.746 -10.578 4.723 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.949 -5.238 3.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 11.187 -9.426 5.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.225 -5.202 4.916 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.342 -7.201 5.742 1.00 0.00 H new ATOM 1120 N ILE A 75 4.539 -6.313 0.762 1.00 0.00 N ATOM 1121 CA ILE A 75 3.382 -5.683 0.148 1.00 0.00 C ATOM 1122 C ILE A 75 2.134 -6.009 0.970 1.00 0.00 C ATOM 1123 O ILE A 75 1.587 -7.106 0.867 1.00 0.00 O ATOM 1124 CB ILE A 75 3.271 -6.084 -1.324 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.237 -5.270 -2.188 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.827 -5.970 -1.816 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.716 -3.848 -2.401 1.00 0.00 C ATOM 0 H ILE A 75 4.422 -7.303 0.977 1.00 0.00 H new ATOM 0 HA ILE A 75 3.492 -4.599 0.151 1.00 0.00 H new ATOM 0 HB ILE A 75 3.560 -7.131 -1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.216 -5.235 -1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.370 -5.761 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.776 -6.261 -2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.189 -6.627 -1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.486 -4.940 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.421 -3.291 -3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.748 -3.886 -2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.607 -3.352 -1.436 1.00 0.00 H new ATOM 1139 N PHE A 76 1.718 -5.035 1.768 1.00 0.00 N ATOM 1140 CA PHE A 76 0.544 -5.205 2.606 1.00 0.00 C ATOM 1141 C PHE A 76 -0.723 -4.763 1.872 1.00 0.00 C ATOM 1142 O PHE A 76 -0.787 -3.650 1.352 1.00 0.00 O ATOM 1143 CB PHE A 76 0.742 -4.318 3.837 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.366 -4.450 4.884 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -0.327 -5.461 5.792 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -1.391 -3.556 4.905 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -1.355 -5.583 6.764 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -2.420 -3.678 5.877 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.380 -4.689 6.786 1.00 0.00 C ATOM 0 H PHE A 76 2.174 -4.126 1.851 1.00 0.00 H new ATOM 0 HA PHE A 76 0.428 -6.255 2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.697 -4.565 4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.803 -3.278 3.517 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.486 -6.172 5.774 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.423 -2.754 4.183 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.323 -6.386 7.486 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.234 -2.968 5.894 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.162 -4.782 7.525 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.700 -5.658 1.852 1.00 0.00 N ATOM 1160 CA ARG A 77 -2.962 -5.374 1.190 1.00 0.00 C ATOM 1161 C ARG A 77 -4.132 -5.877 2.039 1.00 0.00 C ATOM 1162 O ARG A 77 -4.285 -7.080 2.240 1.00 0.00 O ATOM 1163 CB ARG A 77 -3.021 -6.034 -0.189 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.659 -5.973 -0.885 1.00 0.00 C ATOM 1165 CD ARG A 77 -1.662 -6.806 -2.168 1.00 0.00 C ATOM 1166 NE ARG A 77 -0.870 -8.041 -1.971 1.00 0.00 N ATOM 1167 CZ ARG A 77 -0.973 -9.131 -2.744 1.00 0.00 C ATOM 1168 NH1 ARG A 77 -1.834 -9.145 -3.771 1.00 0.00 N ATOM 1169 NH2 ARG A 77 -0.214 -10.206 -2.491 1.00 0.00 N ATOM 0 H ARG A 77 -1.643 -6.580 2.284 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.036 -4.294 1.067 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.334 -7.073 -0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.770 -5.535 -0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.413 -4.938 -1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.885 -6.340 -0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.685 -7.060 -2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.245 -6.224 -2.990 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.204 -8.064 -1.199 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.411 -8.326 -3.964 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.913 -9.974 -4.359 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.442 -10.195 -1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.292 -11.036 -3.079 1.00 0.00 H new ATOM 1183 N SER A 78 -4.927 -4.929 2.513 1.00 0.00 N ATOM 1184 CA SER A 78 -6.078 -5.260 3.335 1.00 0.00 C ATOM 1185 C SER A 78 -7.365 -5.101 2.523 1.00 0.00 C ATOM 1186 O SER A 78 -7.402 -4.342 1.556 1.00 0.00 O ATOM 1187 CB SER A 78 -6.130 -4.385 4.589 1.00 0.00 C ATOM 1188 OG SER A 78 -7.141 -3.384 4.499 1.00 0.00 O ATOM 0 H SER A 78 -4.797 -3.932 2.343 1.00 0.00 H new ATOM 0 HA SER A 78 -5.983 -6.298 3.653 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.317 -5.012 5.461 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.161 -3.909 4.740 1.00 0.00 H new ATOM 0 HG SER A 78 -7.209 -2.910 5.354 1.00 0.00 H new ATOM 1194 N TRP A 79 -8.388 -5.829 2.946 1.00 0.00 N ATOM 1195 CA TRP A 79 -9.673 -5.778 2.269 1.00 0.00 C ATOM 1196 C TRP A 79 -10.702 -6.480 3.157 1.00 0.00 C ATOM 1197 O TRP A 79 -10.356 -7.375 3.927 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.579 -6.385 0.868 1.00 0.00 C ATOM 1199 CG TRP A 79 -9.261 -7.881 0.857 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -10.081 -8.901 1.142 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -7.992 -8.488 0.531 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -9.437 -10.116 1.025 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -8.127 -9.856 0.642 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -6.772 -7.899 0.156 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -7.079 -10.752 0.393 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.735 -8.807 -0.088 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -5.854 -10.188 0.018 1.00 0.00 C ATOM 0 H TRP A 79 -8.353 -6.457 3.749 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.989 -4.746 2.118 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.523 -6.221 0.348 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.809 -5.856 0.305 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.116 -8.787 1.428 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.847 -11.035 1.189 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.645 -6.831 0.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.209 -11.820 0.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -4.775 -8.407 -0.379 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -5.005 -10.823 -0.188 1.00 0.00 H new ATOM 1218 N GLY A 80 -11.947 -6.049 3.020 1.00 0.00 N ATOM 1219 CA GLY A 80 -13.030 -6.625 3.800 1.00 0.00 C ATOM 1220 C GLY A 80 -14.238 -5.687 3.837 1.00 0.00 C ATOM 1221 O GLY A 80 -14.337 -4.763 3.031 1.00 0.00 O ATOM 0 H GLY A 80 -12.231 -5.307 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.322 -7.583 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.687 -6.822 4.816 1.00 0.00 H new ATOM 1225 N ARG A 81 -15.127 -5.957 4.781 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.325 -5.149 4.934 1.00 0.00 C ATOM 1227 C ARG A 81 -16.098 -4.055 5.979 1.00 0.00 C ATOM 1228 O ARG A 81 -15.174 -4.145 6.787 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.519 -6.008 5.356 1.00 0.00 C ATOM 1230 CG ARG A 81 -18.444 -6.284 4.169 1.00 0.00 C ATOM 1231 CD ARG A 81 -19.526 -7.299 4.541 1.00 0.00 C ATOM 1232 NE ARG A 81 -20.520 -6.673 5.441 1.00 0.00 N ATOM 1233 CZ ARG A 81 -21.621 -7.290 5.890 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -21.877 -8.554 5.524 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -22.467 -6.644 6.703 1.00 0.00 N ATOM 0 H ARG A 81 -15.042 -6.724 5.448 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.543 -4.694 3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.164 -6.951 5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.075 -5.501 6.145 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.910 -5.354 3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.861 -6.661 3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -20.019 -7.664 3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -19.074 -8.162 5.029 1.00 0.00 H new ATOM 0 HE ARG A 81 -20.356 -5.711 5.738 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -21.234 -9.046 4.904 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -22.715 -9.024 5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -22.273 -5.682 6.980 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -23.305 -7.114 7.045 1.00 0.00 H new ATOM 1328 N SER A 88 -9.607 -9.402 6.178 1.00 0.00 N ATOM 1329 CA SER A 88 -8.787 -10.117 5.216 1.00 0.00 C ATOM 1330 C SER A 88 -7.623 -9.234 4.760 1.00 0.00 C ATOM 1331 O SER A 88 -7.835 -8.119 4.286 1.00 0.00 O ATOM 1332 CB SER A 88 -9.616 -10.567 4.011 1.00 0.00 C ATOM 1333 OG SER A 88 -10.935 -10.952 4.385 1.00 0.00 O ATOM 0 HA SER A 88 -8.390 -11.008 5.702 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.667 -9.757 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.119 -11.404 3.521 1.00 0.00 H new ATOM 0 HG SER A 88 -11.136 -10.604 5.279 1.00 0.00 H new ATOM 1339 N ASN A 89 -6.420 -9.766 4.920 1.00 0.00 N ATOM 1340 CA ASN A 89 -5.224 -9.039 4.531 1.00 0.00 C ATOM 1341 C ASN A 89 -4.264 -9.992 3.815 1.00 0.00 C ATOM 1342 O ASN A 89 -4.523 -11.192 3.731 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.501 -8.472 5.754 1.00 0.00 C ATOM 1344 CG ASN A 89 -3.823 -9.585 6.556 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -2.702 -9.983 6.288 1.00 0.00 O ATOM 1346 ND2 ASN A 89 -4.565 -10.063 7.551 1.00 0.00 N ATOM 0 H ASN A 89 -6.248 -10.691 5.313 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.525 -8.220 3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.756 -7.743 5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.212 -7.943 6.389 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.202 -10.809 8.145 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.497 -9.684 7.720 1.00 0.00 H new ATOM 1353 N LYS A 90 -3.176 -9.423 3.318 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.177 -10.206 2.612 1.00 0.00 C ATOM 1355 C LYS A 90 -0.804 -9.555 2.792 1.00 0.00 C ATOM 1356 O LYS A 90 -0.673 -8.337 2.689 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.580 -10.397 1.148 1.00 0.00 C ATOM 1358 CG LYS A 90 -1.446 -11.037 0.346 1.00 0.00 C ATOM 1359 CD LYS A 90 -1.939 -12.273 -0.409 1.00 0.00 C ATOM 1360 CE LYS A 90 -1.669 -13.548 0.392 1.00 0.00 C ATOM 1361 NZ LYS A 90 -2.373 -14.700 -0.214 1.00 0.00 N ATOM 0 H LYS A 90 -2.964 -8.428 3.390 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.113 -11.209 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.470 -11.024 1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.841 -9.433 0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.041 -10.312 -0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.634 -11.316 1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.007 -12.182 -0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.441 -12.335 -1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.597 -13.745 0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.999 -13.414 1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.179 -15.557 0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.397 -14.516 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.039 -14.837 -1.189 1.00 0.00 H new ATOM 1375 N LEU A 91 0.184 -10.397 3.057 1.00 0.00 N ATOM 1376 CA LEU A 91 1.542 -9.919 3.252 1.00 0.00 C ATOM 1377 C LEU A 91 2.493 -10.715 2.356 1.00 0.00 C ATOM 1378 O LEU A 91 2.753 -11.890 2.610 1.00 0.00 O ATOM 1379 CB LEU A 91 1.917 -9.959 4.735 1.00 0.00 C ATOM 1380 CG LEU A 91 3.266 -9.338 5.103 1.00 0.00 C ATOM 1381 CD1 LEU A 91 3.216 -7.813 4.995 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.722 -9.800 6.489 1.00 0.00 C ATOM 0 H LEU A 91 0.071 -11.407 3.141 1.00 0.00 H new ATOM 0 HA LEU A 91 1.623 -8.874 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.138 -9.448 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.917 -10.999 5.061 1.00 0.00 H new ATOM 0 HG LEU A 91 4.009 -9.687 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.188 -7.397 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.968 -7.529 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.456 -7.425 5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.683 -9.344 6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.984 -9.500 7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.823 -10.885 6.496 1.00 0.00 H new ATOM 1394 N GLU A 92 2.985 -10.044 1.325 1.00 0.00 N ATOM 1395 CA GLU A 92 3.900 -10.674 0.389 1.00 0.00 C ATOM 1396 C GLU A 92 5.323 -10.154 0.607 1.00 0.00 C ATOM 1397 O GLU A 92 5.513 -9.045 1.104 1.00 0.00 O ATOM 1398 CB GLU A 92 3.449 -10.449 -1.055 1.00 0.00 C ATOM 1399 CG GLU A 92 2.841 -11.723 -1.645 1.00 0.00 C ATOM 1400 CD GLU A 92 2.813 -11.661 -3.173 1.00 0.00 C ATOM 1401 OE1 GLU A 92 1.978 -10.891 -3.694 1.00 0.00 O ATOM 1402 OE2 GLU A 92 3.626 -12.386 -3.786 1.00 0.00 O ATOM 0 H GLU A 92 2.767 -9.069 1.117 1.00 0.00 H new ATOM 0 HA GLU A 92 3.894 -11.748 0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.716 -9.643 -1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.299 -10.134 -1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.420 -12.589 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.828 -11.857 -1.264 1.00 0.00 H new ATOM 1409 N GLN A 93 6.286 -10.980 0.224 1.00 0.00 N ATOM 1410 CA GLN A 93 7.685 -10.618 0.371 1.00 0.00 C ATOM 1411 C GLN A 93 8.263 -10.176 -0.975 1.00 0.00 C ATOM 1412 O GLN A 93 8.278 -10.949 -1.932 1.00 0.00 O ATOM 1413 CB GLN A 93 8.492 -11.775 0.961 1.00 0.00 C ATOM 1414 CG GLN A 93 8.513 -11.706 2.490 1.00 0.00 C ATOM 1415 CD GLN A 93 8.794 -13.082 3.097 1.00 0.00 C ATOM 1416 OE1 GLN A 93 9.915 -13.420 3.440 1.00 0.00 O ATOM 1417 NE2 GLN A 93 7.717 -13.854 3.209 1.00 0.00 N ATOM 0 H GLN A 93 6.124 -11.899 -0.188 1.00 0.00 H new ATOM 0 HA GLN A 93 7.752 -9.781 1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.060 -12.724 0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.512 -11.744 0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.276 -10.998 2.815 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.556 -11.333 2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.808 -13.508 2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.800 -14.792 3.602 1.00 0.00 H new ATOM 1426 N MET A 94 8.726 -8.935 -1.006 1.00 0.00 N ATOM 1427 CA MET A 94 9.304 -8.382 -2.219 1.00 0.00 C ATOM 1428 C MET A 94 10.816 -8.611 -2.260 1.00 0.00 C ATOM 1429 O MET A 94 11.492 -8.501 -1.239 1.00 0.00 O ATOM 1430 CB MET A 94 9.013 -6.881 -2.284 1.00 0.00 C ATOM 1431 CG MET A 94 7.571 -6.620 -2.723 1.00 0.00 C ATOM 1432 SD MET A 94 7.403 -6.918 -4.475 1.00 0.00 S ATOM 1433 CE MET A 94 6.100 -8.137 -4.459 1.00 0.00 C ATOM 0 H MET A 94 8.713 -8.297 -0.210 1.00 0.00 H new ATOM 0 HA MET A 94 8.856 -8.886 -3.075 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.186 -6.431 -1.307 1.00 0.00 H new ATOM 0 HB3 MET A 94 9.701 -6.403 -2.981 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.891 -7.267 -2.169 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.292 -5.592 -2.492 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.698 -8.253 -5.465 1.00 0.00 H new ATOM 0 HE2 MET A 94 6.499 -9.091 -4.115 1.00 0.00 H new ATOM 0 HE3 MET A 94 5.306 -7.812 -3.787 1.00 0.00 H new ATOM 1443 N PRO A 95 11.315 -8.935 -3.483 1.00 0.00 N ATOM 1444 CA PRO A 95 12.734 -9.182 -3.671 1.00 0.00 C ATOM 1445 C PRO A 95 13.525 -7.872 -3.657 1.00 0.00 C ATOM 1446 O PRO A 95 14.526 -7.754 -2.952 1.00 0.00 O ATOM 1447 CB PRO A 95 12.833 -9.921 -4.995 1.00 0.00 C ATOM 1448 CG PRO A 95 11.525 -9.653 -5.721 1.00 0.00 C ATOM 1449 CD PRO A 95 10.544 -9.075 -4.715 1.00 0.00 C ATOM 0 HA PRO A 95 13.168 -9.775 -2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.683 -9.566 -5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 95 12.980 -10.989 -4.836 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.681 -8.957 -6.545 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.132 -10.574 -6.152 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.154 -8.114 -5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.688 -9.734 -4.573 1.00 0.00 H new ATOM 1457 N SER A 96 13.045 -6.920 -4.444 1.00 0.00 N ATOM 1458 CA SER A 96 13.694 -5.623 -4.531 1.00 0.00 C ATOM 1459 C SER A 96 12.708 -4.517 -4.150 1.00 0.00 C ATOM 1460 O SER A 96 11.505 -4.758 -4.058 1.00 0.00 O ATOM 1461 CB SER A 96 14.249 -5.378 -5.936 1.00 0.00 C ATOM 1462 OG SER A 96 15.545 -4.787 -5.903 1.00 0.00 O ATOM 0 H SER A 96 12.214 -7.021 -5.027 1.00 0.00 H new ATOM 0 HA SER A 96 14.530 -5.612 -3.832 1.00 0.00 H new ATOM 0 HB2 SER A 96 14.295 -6.323 -6.477 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.568 -4.728 -6.486 1.00 0.00 H new ATOM 0 HG SER A 96 15.865 -4.648 -6.819 1.00 0.00 H new ATOM 1468 N LYS A 97 13.253 -3.329 -3.938 1.00 0.00 N ATOM 1469 CA LYS A 97 12.436 -2.185 -3.569 1.00 0.00 C ATOM 1470 C LYS A 97 11.472 -1.863 -4.712 1.00 0.00 C ATOM 1471 O LYS A 97 10.303 -1.560 -4.476 1.00 0.00 O ATOM 1472 CB LYS A 97 13.320 -1.006 -3.158 1.00 0.00 C ATOM 1473 CG LYS A 97 12.489 0.267 -2.982 1.00 0.00 C ATOM 1474 CD LYS A 97 13.377 1.455 -2.609 1.00 0.00 C ATOM 1475 CE LYS A 97 12.991 2.701 -3.409 1.00 0.00 C ATOM 1476 NZ LYS A 97 14.036 3.741 -3.284 1.00 0.00 N ATOM 0 H LYS A 97 14.251 -3.133 -4.015 1.00 0.00 H new ATOM 0 HA LYS A 97 11.828 -2.417 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.835 -1.240 -2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.088 -0.842 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.952 0.486 -3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.739 0.112 -2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.286 1.661 -1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.421 1.206 -2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.854 2.439 -4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.038 3.090 -3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.758 4.580 -3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.147 4.003 -2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.938 3.372 -3.648 1.00 0.00 H new ATOM 1490 N GLU A 98 11.998 -1.938 -5.926 1.00 0.00 N ATOM 1491 CA GLU A 98 11.198 -1.657 -7.106 1.00 0.00 C ATOM 1492 C GLU A 98 10.020 -2.629 -7.192 1.00 0.00 C ATOM 1493 O GLU A 98 8.866 -2.207 -7.255 1.00 0.00 O ATOM 1494 CB GLU A 98 12.052 -1.717 -8.374 1.00 0.00 C ATOM 1495 CG GLU A 98 13.038 -0.549 -8.427 1.00 0.00 C ATOM 1496 CD GLU A 98 13.152 0.009 -9.847 1.00 0.00 C ATOM 1497 OE1 GLU A 98 13.974 -0.544 -10.610 1.00 0.00 O ATOM 1498 OE2 GLU A 98 12.416 0.976 -10.137 1.00 0.00 O ATOM 0 H GLU A 98 12.968 -2.189 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 98 10.803 -0.645 -7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.598 -2.660 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.407 -1.693 -9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.711 0.239 -7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.018 -0.880 -8.083 1.00 0.00 H new ATOM 1505 N ASP A 99 10.351 -3.912 -7.193 1.00 0.00 N ATOM 1506 CA ASP A 99 9.334 -4.947 -7.270 1.00 0.00 C ATOM 1507 C ASP A 99 8.219 -4.637 -6.270 1.00 0.00 C ATOM 1508 O ASP A 99 7.069 -5.020 -6.478 1.00 0.00 O ATOM 1509 CB ASP A 99 9.916 -6.318 -6.919 1.00 0.00 C ATOM 1510 CG ASP A 99 10.907 -6.881 -7.939 1.00 0.00 C ATOM 1511 OD1 ASP A 99 10.430 -7.350 -8.995 1.00 0.00 O ATOM 1512 OD2 ASP A 99 12.120 -6.828 -7.641 1.00 0.00 O ATOM 0 H ASP A 99 11.309 -4.258 -7.142 1.00 0.00 H new ATOM 0 HA ASP A 99 8.951 -4.968 -8.290 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.414 -6.248 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.095 -7.026 -6.804 1.00 0.00 H new ATOM 1517 N ALA A 100 8.598 -3.945 -5.205 1.00 0.00 N ATOM 1518 CA ALA A 100 7.644 -3.579 -4.172 1.00 0.00 C ATOM 1519 C ALA A 100 6.809 -2.391 -4.654 1.00 0.00 C ATOM 1520 O ALA A 100 5.584 -2.403 -4.541 1.00 0.00 O ATOM 1521 CB ALA A 100 8.391 -3.277 -2.871 1.00 0.00 C ATOM 0 H ALA A 100 9.553 -3.628 -5.035 1.00 0.00 H new ATOM 0 HA ALA A 100 6.960 -4.404 -3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.675 -3.002 -2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.946 -4.161 -2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.085 -2.452 -3.033 1.00 0.00 H new ATOM 1527 N ILE A 101 7.504 -1.394 -5.180 1.00 0.00 N ATOM 1528 CA ILE A 101 6.841 -0.201 -5.679 1.00 0.00 C ATOM 1529 C ILE A 101 5.865 -0.592 -6.790 1.00 0.00 C ATOM 1530 O ILE A 101 4.702 -0.192 -6.768 1.00 0.00 O ATOM 1531 CB ILE A 101 7.872 0.845 -6.107 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.512 1.515 -4.889 1.00 0.00 C ATOM 1533 CG2 ILE A 101 7.253 1.867 -7.063 1.00 0.00 C ATOM 1534 CD1 ILE A 101 10.037 1.523 -5.006 1.00 0.00 C ATOM 0 H ILE A 101 8.520 -1.387 -5.272 1.00 0.00 H new ATOM 0 HA ILE A 101 6.254 0.267 -4.889 1.00 0.00 H new ATOM 0 HB ILE A 101 8.668 0.336 -6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.145 2.537 -4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.216 0.988 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 101 8.007 2.599 -7.351 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.884 1.356 -7.952 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.426 2.375 -6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.467 2.005 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.402 0.498 -5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.330 2.072 -5.901 1.00 0.00 H new ATOM 1546 N GLU A 102 6.374 -1.370 -7.734 1.00 0.00 N ATOM 1547 CA GLU A 102 5.561 -1.820 -8.852 1.00 0.00 C ATOM 1548 C GLU A 102 4.266 -2.456 -8.343 1.00 0.00 C ATOM 1549 O GLU A 102 3.184 -2.156 -8.845 1.00 0.00 O ATOM 1550 CB GLU A 102 6.339 -2.794 -9.739 1.00 0.00 C ATOM 1551 CG GLU A 102 7.711 -2.225 -10.104 1.00 0.00 C ATOM 1552 CD GLU A 102 8.119 -2.644 -11.518 1.00 0.00 C ATOM 1553 OE1 GLU A 102 8.595 -3.792 -11.655 1.00 0.00 O ATOM 1554 OE2 GLU A 102 7.946 -1.808 -12.430 1.00 0.00 O ATOM 0 H GLU A 102 7.339 -1.700 -7.748 1.00 0.00 H new ATOM 0 HA GLU A 102 5.303 -0.954 -9.461 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.462 -3.745 -9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.772 -2.997 -10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.688 -1.137 -10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.456 -2.574 -9.388 1.00 0.00 H new ATOM 1561 N HIS A 103 4.419 -3.324 -7.354 1.00 0.00 N ATOM 1562 CA HIS A 103 3.275 -4.005 -6.772 1.00 0.00 C ATOM 1563 C HIS A 103 2.301 -2.974 -6.198 1.00 0.00 C ATOM 1564 O HIS A 103 1.131 -2.942 -6.576 1.00 0.00 O ATOM 1565 CB HIS A 103 3.726 -5.036 -5.736 1.00 0.00 C ATOM 1566 CG HIS A 103 2.880 -6.287 -5.705 1.00 0.00 C ATOM 1567 ND1 HIS A 103 2.583 -7.138 -4.681 1.00 0.00 N flip ATOM 1568 CD2 HIS A 103 2.233 -6.782 -6.825 1.00 0.00 C flip ATOM 1569 CE1 HIS A 103 1.796 -8.099 -5.149 1.00 0.00 C flip ATOM 1570 NE2 HIS A 103 1.579 -7.880 -6.478 1.00 0.00 N flip ATOM 0 H HIS A 103 5.318 -3.571 -6.941 1.00 0.00 H new ATOM 0 HA HIS A 103 2.746 -4.561 -7.546 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.760 -5.314 -5.941 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.710 -4.575 -4.749 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.258 -6.347 -7.813 1.00 0.00 H new ATOM 0 HE1 HIS A 103 1.394 -8.919 -4.573 1.00 0.00 H new ATOM 0 HE2 HIS A 103 1.012 -8.460 -7.096 1.00 0.00 H new ATOM 1578 N PHE A 104 2.820 -2.157 -5.293 1.00 0.00 N ATOM 1579 CA PHE A 104 2.011 -1.128 -4.663 1.00 0.00 C ATOM 1580 C PHE A 104 1.460 -0.150 -5.702 1.00 0.00 C ATOM 1581 O PHE A 104 0.400 0.442 -5.503 1.00 0.00 O ATOM 1582 CB PHE A 104 2.925 -0.368 -3.699 1.00 0.00 C ATOM 1583 CG PHE A 104 2.203 0.684 -2.856 1.00 0.00 C ATOM 1584 CD1 PHE A 104 1.379 0.297 -1.845 1.00 0.00 C ATOM 1585 CD2 PHE A 104 2.384 2.007 -3.116 1.00 0.00 C ATOM 1586 CE1 PHE A 104 0.709 1.274 -1.061 1.00 0.00 C ATOM 1587 CE2 PHE A 104 1.714 2.983 -2.333 1.00 0.00 C ATOM 1588 CZ PHE A 104 0.890 2.596 -1.322 1.00 0.00 C ATOM 0 H PHE A 104 3.791 -2.187 -4.981 1.00 0.00 H new ATOM 0 HA PHE A 104 1.165 -1.584 -4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.408 -1.083 -3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.715 0.119 -4.271 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.234 -0.753 -1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.038 2.315 -3.919 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.056 0.967 -0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.858 4.033 -2.540 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.380 3.339 -0.727 1.00 0.00 H new ATOM 1598 N MET A 105 2.204 -0.011 -6.790 1.00 0.00 N ATOM 1599 CA MET A 105 1.803 0.885 -7.861 1.00 0.00 C ATOM 1600 C MET A 105 0.684 0.268 -8.702 1.00 0.00 C ATOM 1601 O MET A 105 -0.271 0.952 -9.069 1.00 0.00 O ATOM 1602 CB MET A 105 3.009 1.182 -8.756 1.00 0.00 C ATOM 1603 CG MET A 105 3.698 2.481 -8.332 1.00 0.00 C ATOM 1604 SD MET A 105 3.712 3.637 -9.692 1.00 0.00 S ATOM 1605 CE MET A 105 4.625 2.687 -10.897 1.00 0.00 C ATOM 0 H MET A 105 3.082 -0.504 -6.953 1.00 0.00 H new ATOM 0 HA MET A 105 1.432 1.809 -7.417 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.718 0.356 -8.703 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.686 1.259 -9.794 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.178 2.917 -7.479 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.718 2.273 -8.010 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.219 3.359 -11.516 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.285 1.987 -10.384 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.929 2.134 -11.527 1.00 0.00 H new ATOM 1615 N LYS A 106 0.837 -1.018 -8.982 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.149 -1.734 -9.772 1.00 0.00 C ATOM 1617 C LYS A 106 -1.351 -2.079 -8.890 1.00 0.00 C ATOM 1618 O LYS A 106 -2.496 -1.850 -9.278 1.00 0.00 O ATOM 1619 CB LYS A 106 0.487 -2.951 -10.448 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.512 -4.105 -10.552 1.00 0.00 C ATOM 1621 CD LYS A 106 0.149 -5.351 -11.144 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.321 -5.592 -12.580 1.00 0.00 C ATOM 1623 NZ LYS A 106 -0.896 -6.949 -12.717 1.00 0.00 N ATOM 0 H LYS A 106 1.629 -1.582 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.518 -1.104 -10.582 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.837 -2.677 -11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.361 -3.272 -9.880 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.911 -4.335 -9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.355 -3.806 -11.175 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.233 -5.235 -11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.088 -6.219 -10.529 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.066 -4.846 -12.855 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.517 -5.475 -13.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.210 -7.096 -13.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.175 -7.658 -12.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.708 -7.048 -12.075 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.049 -2.623 -7.720 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.090 -3.001 -6.780 1.00 0.00 C ATOM 1639 C LEU A 107 -3.100 -1.858 -6.657 1.00 0.00 C ATOM 1640 O LEU A 107 -4.291 -2.049 -6.897 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.477 -3.426 -5.444 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.049 -4.892 -5.339 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -2.267 -5.815 -5.278 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -0.100 -5.269 -6.478 1.00 0.00 C ATOM 0 H LEU A 107 -0.098 -2.811 -7.402 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.635 -3.871 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.607 -2.799 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.199 -3.221 -4.654 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.500 -5.022 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.935 -6.851 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.871 -5.564 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.864 -5.689 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.189 -6.315 -6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.602 -5.119 -7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.790 -4.641 -6.433 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.586 -0.695 -6.282 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.428 0.478 -6.124 1.00 0.00 C ATOM 1658 C TYR A 108 -4.218 0.763 -7.404 1.00 0.00 C ATOM 1659 O TYR A 108 -5.215 1.483 -7.375 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.477 1.646 -5.856 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.185 2.961 -5.524 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -3.812 3.119 -4.304 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.198 3.990 -6.444 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.478 4.357 -3.992 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -3.864 5.227 -6.131 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.471 5.350 -4.921 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.101 6.519 -4.626 1.00 0.00 O ATOM 0 H TYR A 108 -1.598 -0.541 -6.083 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.146 0.329 -5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.817 1.382 -5.030 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.846 1.796 -6.732 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.803 2.314 -3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.708 3.867 -7.399 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.972 4.494 -3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.881 6.040 -6.842 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.014 7.137 -5.381 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.742 0.183 -8.496 1.00 0.00 N ATOM 1678 CA GLU A 109 -4.390 0.366 -9.783 1.00 0.00 C ATOM 1679 C GLU A 109 -5.357 -0.788 -10.059 1.00 0.00 C ATOM 1680 O GLU A 109 -6.260 -0.662 -10.885 1.00 0.00 O ATOM 1681 CB GLU A 109 -3.357 0.496 -10.904 1.00 0.00 C ATOM 1682 CG GLU A 109 -4.024 0.397 -12.278 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.981 0.430 -13.397 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -2.440 1.531 -13.636 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -2.748 -0.647 -13.988 1.00 0.00 O ATOM 0 H GLU A 109 -2.915 -0.414 -8.516 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.961 1.294 -9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.837 1.450 -10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.605 -0.287 -10.803 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.601 -0.526 -12.341 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.726 1.221 -12.406 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.134 -1.886 -9.352 1.00 0.00 N ATOM 1693 CA GLU A 110 -5.973 -3.061 -9.510 1.00 0.00 C ATOM 1694 C GLU A 110 -7.367 -2.799 -8.935 1.00 0.00 C ATOM 1695 O GLU A 110 -8.346 -3.403 -9.372 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.331 -4.286 -8.856 1.00 0.00 C ATOM 1697 CG GLU A 110 -5.895 -4.516 -7.452 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.335 -5.802 -6.840 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -5.018 -6.716 -7.632 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -5.236 -5.841 -5.595 1.00 0.00 O ATOM 0 H GLU A 110 -4.384 -1.986 -8.668 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.074 -3.271 -10.575 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.509 -5.167 -9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.251 -4.149 -8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.648 -3.668 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.982 -4.574 -7.498 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.412 -1.899 -7.964 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.669 -1.550 -7.325 1.00 0.00 C ATOM 1709 C LYS A 111 -9.321 -0.395 -8.088 1.00 0.00 C ATOM 1710 O LYS A 111 -10.390 -0.558 -8.673 1.00 0.00 O ATOM 1711 CB LYS A 111 -8.452 -1.259 -5.839 1.00 0.00 C ATOM 1712 CG LYS A 111 -7.908 -2.492 -5.113 1.00 0.00 C ATOM 1713 CD LYS A 111 -8.932 -3.629 -5.122 1.00 0.00 C ATOM 1714 CE LYS A 111 -8.438 -4.817 -4.294 1.00 0.00 C ATOM 1715 NZ LYS A 111 -9.513 -5.309 -3.403 1.00 0.00 N ATOM 0 H LYS A 111 -6.598 -1.401 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.362 -2.390 -7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.755 -0.429 -5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.393 -0.950 -5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.987 -2.824 -5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.657 -2.232 -4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.881 -3.272 -4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.118 -3.948 -6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.111 -5.619 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.573 -4.520 -3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.162 -6.115 -2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.806 -4.547 -2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.327 -5.611 -3.975 1.00 0.00 H new ATOM 1729 N THR A 112 -8.649 0.747 -8.057 1.00 0.00 N ATOM 1730 CA THR A 112 -9.149 1.928 -8.739 1.00 0.00 C ATOM 1731 C THR A 112 -9.225 1.682 -10.247 1.00 0.00 C ATOM 1732 O THR A 112 -10.193 2.075 -10.896 1.00 0.00 O ATOM 1733 CB THR A 112 -8.252 3.108 -8.360 1.00 0.00 C ATOM 1734 OG1 THR A 112 -6.930 2.625 -8.581 1.00 0.00 O ATOM 1735 CG2 THR A 112 -8.291 3.415 -6.861 1.00 0.00 C ATOM 0 H THR A 112 -7.762 0.879 -7.570 1.00 0.00 H new ATOM 0 HA THR A 112 -10.167 2.162 -8.429 1.00 0.00 H new ATOM 0 HB THR A 112 -8.559 3.991 -8.920 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.554 2.303 -7.735 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.637 4.260 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.311 3.661 -6.566 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.952 2.543 -6.302 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.190 1.033 -10.761 1.00 0.00 N ATOM 1744 CA GLY A 113 -8.127 0.730 -12.180 1.00 0.00 C ATOM 1745 C GLY A 113 -7.146 1.661 -12.897 1.00 0.00 C ATOM 1746 O GLY A 113 -6.708 1.370 -14.009 1.00 0.00 O ATOM 0 H GLY A 113 -7.389 0.709 -10.220 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.819 -0.306 -12.321 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.118 0.831 -12.621 1.00 0.00 H new ATOM 1750 N ASN A 114 -6.831 2.762 -12.230 1.00 0.00 N ATOM 1751 CA ASN A 114 -5.910 3.737 -12.789 1.00 0.00 C ATOM 1752 C ASN A 114 -4.542 3.580 -12.124 1.00 0.00 C ATOM 1753 O ASN A 114 -4.426 2.948 -11.075 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.399 5.165 -12.535 1.00 0.00 C ATOM 1755 CG ASN A 114 -7.147 5.713 -13.752 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -6.628 6.497 -14.529 1.00 0.00 O ATOM 1757 ND2 ASN A 114 -8.391 5.259 -13.872 1.00 0.00 N ATOM 0 H ASN A 114 -7.197 3.000 -11.308 1.00 0.00 H new ATOM 0 HA ASN A 114 -5.846 3.563 -13.863 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.054 5.179 -11.664 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -5.550 5.809 -12.305 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.973 5.566 -14.651 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -8.763 4.603 -13.185 1.00 0.00 H new ATOM 1764 N ALA A 115 -3.539 4.167 -12.760 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.183 4.100 -12.243 1.00 0.00 C ATOM 1766 C ALA A 115 -2.076 4.970 -10.989 1.00 0.00 C ATOM 1767 O ALA A 115 -2.848 5.913 -10.815 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.198 4.527 -13.334 1.00 0.00 C ATOM 0 H ALA A 115 -3.638 4.691 -13.629 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.932 3.078 -11.958 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.181 4.477 -12.946 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.293 3.860 -14.191 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.418 5.549 -13.643 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.114 4.624 -10.147 1.00 0.00 N ATOM 1775 CA TRP A 116 -0.897 5.361 -8.914 1.00 0.00 C ATOM 1776 C TRP A 116 -0.478 6.786 -9.283 1.00 0.00 C ATOM 1777 O TRP A 116 -1.164 7.747 -8.937 1.00 0.00 O ATOM 1778 CB TRP A 116 0.123 4.651 -8.022 1.00 0.00 C ATOM 1779 CG TRP A 116 0.801 5.566 -7.000 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.716 6.518 -7.225 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.577 5.576 -5.574 1.00 0.00 C ATOM 1782 NE1 TRP A 116 2.098 7.139 -6.053 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.383 6.548 -5.017 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -0.278 4.790 -4.782 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.414 6.824 -3.645 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 -0.235 5.079 -3.412 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.571 6.054 -2.836 1.00 0.00 C ATOM 0 H TRP A 116 -0.475 3.842 -10.294 1.00 0.00 H new ATOM 0 HA TRP A 116 -1.814 5.408 -8.327 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.376 3.839 -7.493 1.00 0.00 H new ATOM 0 HB3 TRP A 116 0.888 4.198 -8.652 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.106 6.768 -8.201 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.779 7.893 -5.963 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -0.917 4.024 -5.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.054 7.590 -3.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.873 4.504 -2.757 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.547 6.217 -1.769 1.00 0.00 H new ATOM 1798 N HIS A 117 0.645 6.877 -9.980 1.00 0.00 N ATOM 1799 CA HIS A 117 1.162 8.168 -10.399 1.00 0.00 C ATOM 1800 C HIS A 117 0.167 8.836 -11.350 1.00 0.00 C ATOM 1801 O HIS A 117 -0.204 9.992 -11.155 1.00 0.00 O ATOM 1802 CB HIS A 117 2.558 8.022 -11.008 1.00 0.00 C ATOM 1803 CG HIS A 117 3.683 8.293 -10.038 1.00 0.00 C ATOM 1804 ND1 HIS A 117 3.580 9.213 -9.009 1.00 0.00 N ATOM 1805 CD2 HIS A 117 4.934 7.756 -9.951 1.00 0.00 C ATOM 1806 CE1 HIS A 117 4.724 9.221 -8.340 1.00 0.00 C ATOM 1807 NE2 HIS A 117 5.562 8.318 -8.925 1.00 0.00 N ATOM 0 H HIS A 117 1.211 6.078 -10.265 1.00 0.00 H new ATOM 0 HA HIS A 117 1.273 8.818 -9.531 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.667 7.012 -11.402 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.648 8.705 -11.853 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.344 7.001 -10.606 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.953 9.835 -7.482 1.00 0.00 H new ATOM 0 HE2 HIS A 117 6.514 8.109 -8.624 1.00 0.00 H new ATOM 1815 N SER A 118 -0.236 8.079 -12.360 1.00 0.00 N ATOM 1816 CA SER A 118 -1.181 8.583 -13.342 1.00 0.00 C ATOM 1817 C SER A 118 -2.244 9.440 -12.653 1.00 0.00 C ATOM 1818 O SER A 118 -3.082 8.923 -11.917 1.00 0.00 O ATOM 1819 CB SER A 118 -1.840 7.436 -14.111 1.00 0.00 C ATOM 1820 OG SER A 118 -0.926 6.789 -14.993 1.00 0.00 O ATOM 0 H SER A 118 0.075 7.121 -12.519 1.00 0.00 H new ATOM 0 HA SER A 118 -0.636 9.198 -14.058 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.239 6.708 -13.405 1.00 0.00 H new ATOM 0 HB3 SER A 118 -2.684 7.821 -14.683 1.00 0.00 H new ATOM 0 HG SER A 118 -1.389 6.072 -15.476 1.00 0.00 H new ATOM 1826 N LYS A 119 -2.176 10.737 -12.918 1.00 0.00 N ATOM 1827 CA LYS A 119 -3.123 11.671 -12.333 1.00 0.00 C ATOM 1828 C LYS A 119 -4.496 11.467 -12.975 1.00 0.00 C ATOM 1829 O LYS A 119 -4.726 10.469 -13.655 1.00 0.00 O ATOM 1830 CB LYS A 119 -2.599 13.104 -12.443 1.00 0.00 C ATOM 1831 CG LYS A 119 -1.250 13.251 -11.735 1.00 0.00 C ATOM 1832 CD LYS A 119 -1.100 14.646 -11.125 1.00 0.00 C ATOM 1833 CE LYS A 119 -0.253 14.599 -9.851 1.00 0.00 C ATOM 1834 NZ LYS A 119 1.102 15.135 -10.110 1.00 0.00 N ATOM 0 H LYS A 119 -1.480 11.163 -13.530 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.238 11.479 -11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.494 13.377 -13.493 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.321 13.793 -12.005 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.162 12.497 -10.953 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -0.442 13.071 -12.444 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.637 15.316 -11.850 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.084 15.055 -10.897 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.736 15.179 -9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.182 13.572 -9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.664 15.096 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.566 14.565 -10.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.030 16.122 -10.431 1.00 0.00 H new ATOM 1848 N ASN A 120 -5.374 12.430 -12.735 1.00 0.00 N ATOM 1849 CA ASN A 120 -6.719 12.369 -13.281 1.00 0.00 C ATOM 1850 C ASN A 120 -7.389 11.069 -12.832 1.00 0.00 C ATOM 1851 O ASN A 120 -7.118 10.004 -13.385 1.00 0.00 O ATOM 1852 CB ASN A 120 -6.694 12.384 -14.811 1.00 0.00 C ATOM 1853 CG ASN A 120 -7.104 13.755 -15.353 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -6.912 14.782 -14.725 1.00 0.00 O ATOM 1855 ND2 ASN A 120 -7.678 13.712 -16.552 1.00 0.00 N ATOM 0 H ASN A 120 -5.180 13.257 -12.170 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.268 13.239 -12.921 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -5.694 12.134 -15.164 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.369 11.620 -15.197 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -7.988 14.574 -17.000 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -7.809 12.817 -17.023 1.00 0.00 H new ATOM 1862 N PHE A 121 -8.251 11.199 -11.834 1.00 0.00 N ATOM 1863 CA PHE A 121 -8.962 10.048 -11.305 1.00 0.00 C ATOM 1864 C PHE A 121 -10.419 10.040 -11.772 1.00 0.00 C ATOM 1865 O PHE A 121 -11.135 11.025 -11.598 1.00 0.00 O ATOM 1866 CB PHE A 121 -8.928 10.164 -9.779 1.00 0.00 C ATOM 1867 CG PHE A 121 -9.358 8.891 -9.048 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -8.501 7.839 -8.952 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -10.598 8.810 -8.495 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -8.901 6.657 -8.274 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -10.997 7.628 -7.817 1.00 0.00 C ATOM 1872 CZ PHE A 121 -10.140 6.577 -7.721 1.00 0.00 C ATOM 0 H PHE A 121 -8.473 12.084 -11.378 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.492 9.128 -11.654 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.917 10.426 -9.467 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.578 10.984 -9.473 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.516 7.903 -9.391 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -11.279 9.645 -8.572 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.221 5.822 -8.198 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.981 7.564 -7.377 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.444 5.678 -7.205 1.00 0.00 H new ATOM 1882 N THR A 122 -10.814 8.918 -12.355 1.00 0.00 N ATOM 1883 CA THR A 122 -12.172 8.769 -12.848 1.00 0.00 C ATOM 1884 C THR A 122 -12.941 7.757 -11.996 1.00 0.00 C ATOM 1885 O THR A 122 -12.560 6.591 -11.916 1.00 0.00 O ATOM 1886 CB THR A 122 -12.099 8.387 -14.328 1.00 0.00 C ATOM 1887 OG1 THR A 122 -11.763 9.605 -14.985 1.00 0.00 O ATOM 1888 CG2 THR A 122 -13.467 8.016 -14.905 1.00 0.00 C ATOM 0 H THR A 122 -10.217 8.103 -12.497 1.00 0.00 H new ATOM 0 HA THR A 122 -12.727 9.704 -12.766 1.00 0.00 H new ATOM 0 HB THR A 122 -11.413 7.549 -14.453 1.00 0.00 H new ATOM 0 HG1 THR A 122 -11.694 9.448 -15.950 1.00 0.00 H new ATOM 0 HG21 THR A 122 -13.359 7.753 -15.957 1.00 0.00 H new ATOM 0 HG22 THR A 122 -13.874 7.165 -14.359 1.00 0.00 H new ATOM 0 HG23 THR A 122 -14.144 8.865 -14.811 1.00 0.00 H new ATOM 1896 N LYS A 123 -14.011 8.241 -11.381 1.00 0.00 N ATOM 1897 CA LYS A 123 -14.837 7.394 -10.538 1.00 0.00 C ATOM 1898 C LYS A 123 -15.563 6.367 -11.410 1.00 0.00 C ATOM 1899 O LYS A 123 -16.645 6.641 -11.926 1.00 0.00 O ATOM 1900 CB LYS A 123 -15.774 8.244 -9.679 1.00 0.00 C ATOM 1901 CG LYS A 123 -15.783 7.755 -8.229 1.00 0.00 C ATOM 1902 CD LYS A 123 -16.950 6.797 -7.981 1.00 0.00 C ATOM 1903 CE LYS A 123 -18.013 7.445 -7.091 1.00 0.00 C ATOM 1904 NZ LYS A 123 -18.662 8.572 -7.797 1.00 0.00 N ATOM 0 H LYS A 123 -14.324 9.209 -11.450 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.218 6.836 -9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -15.458 9.287 -9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.784 8.203 -10.087 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.842 7.253 -8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -15.858 8.608 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -17.395 6.507 -8.933 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -16.583 5.885 -7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -18.762 6.704 -6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -17.555 7.801 -6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -19.426 8.958 -7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -17.959 9.316 -7.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -19.057 8.236 -8.698 1.00 0.00 H new ATOM 1918 N TYR A 124 -14.938 5.207 -11.547 1.00 0.00 N ATOM 1919 CA TYR A 124 -15.511 4.138 -12.348 1.00 0.00 C ATOM 1920 C TYR A 124 -16.421 3.246 -11.500 1.00 0.00 C ATOM 1921 O TYR A 124 -16.418 3.338 -10.274 1.00 0.00 O ATOM 1922 CB TYR A 124 -14.329 3.308 -12.852 1.00 0.00 C ATOM 1923 CG TYR A 124 -13.805 3.740 -14.223 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -14.692 4.054 -15.233 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -12.446 3.816 -14.450 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -14.200 4.461 -16.523 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -11.953 4.223 -15.741 1.00 0.00 C ATOM 1928 CZ TYR A 124 -12.854 4.525 -16.714 1.00 0.00 C ATOM 1929 OH TYR A 124 -12.389 4.909 -17.933 1.00 0.00 O ATOM 0 H TYR A 124 -14.040 4.984 -11.117 1.00 0.00 H new ATOM 0 HA TYR A 124 -16.111 4.547 -13.161 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.517 3.373 -12.127 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.628 2.261 -12.902 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -15.756 3.994 -15.055 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -11.752 3.570 -13.660 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -14.883 4.710 -17.321 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -10.892 4.287 -15.932 1.00 0.00 H new ATOM 0 HH TYR A 124 -11.409 4.910 -17.924 1.00 0.00 H new ATOM 1939 N PRO A 125 -17.197 2.381 -12.207 1.00 0.00 N ATOM 1940 CA PRO A 125 -18.109 1.473 -11.533 1.00 0.00 C ATOM 1941 C PRO A 125 -17.350 0.315 -10.882 1.00 0.00 C ATOM 1942 O PRO A 125 -16.663 -0.443 -11.565 1.00 0.00 O ATOM 1943 CB PRO A 125 -19.078 1.016 -12.611 1.00 0.00 C ATOM 1944 CG PRO A 125 -18.397 1.316 -13.937 1.00 0.00 C ATOM 1945 CD PRO A 125 -17.226 2.244 -13.660 1.00 0.00 C ATOM 0 HA PRO A 125 -18.644 1.949 -10.711 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.295 -0.048 -12.515 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -20.028 1.544 -12.532 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -18.051 0.395 -14.406 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -19.098 1.782 -14.629 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.292 1.827 -14.037 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -17.363 3.210 -14.146 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.499 0.215 -9.570 1.00 0.00 N ATOM 1954 CA LYS A 126 -16.835 -0.838 -8.819 1.00 0.00 C ATOM 1955 C LYS A 126 -15.441 -0.363 -8.407 1.00 0.00 C ATOM 1956 O LYS A 126 -14.961 -0.700 -7.325 1.00 0.00 O ATOM 1957 CB LYS A 126 -16.830 -2.143 -9.618 1.00 0.00 C ATOM 1958 CG LYS A 126 -18.201 -2.411 -10.241 1.00 0.00 C ATOM 1959 CD LYS A 126 -18.391 -3.902 -10.528 1.00 0.00 C ATOM 1960 CE LYS A 126 -17.792 -4.279 -11.884 1.00 0.00 C ATOM 1961 NZ LYS A 126 -17.616 -5.745 -11.983 1.00 0.00 N ATOM 0 H LYS A 126 -18.070 0.846 -9.007 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.382 -1.055 -7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.075 -2.090 -10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.555 -2.972 -8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -18.985 -2.064 -9.567 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.301 -1.843 -11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -17.919 -4.491 -9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -19.453 -4.146 -10.515 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -18.443 -3.930 -12.686 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -16.831 -3.782 -12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -17.208 -5.984 -12.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -16.977 -6.070 -11.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -18.539 -6.213 -11.880 1.00 0.00 H new ATOM 1975 N LYS A 127 -14.829 0.411 -9.291 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.498 0.935 -9.032 1.00 0.00 C ATOM 1977 C LYS A 127 -13.478 1.609 -7.659 1.00 0.00 C ATOM 1978 O LYS A 127 -14.376 2.382 -7.329 1.00 0.00 O ATOM 1979 CB LYS A 127 -13.053 1.853 -10.173 1.00 0.00 C ATOM 1980 CG LYS A 127 -12.875 1.064 -11.473 1.00 0.00 C ATOM 1981 CD LYS A 127 -11.999 -0.170 -11.250 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.515 -0.747 -12.582 1.00 0.00 C ATOM 1983 NZ LYS A 127 -11.911 -2.168 -12.706 1.00 0.00 N ATOM 0 H LYS A 127 -15.230 0.688 -10.187 1.00 0.00 H new ATOM 0 HA LYS A 127 -12.769 0.125 -9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.792 2.641 -10.320 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.115 2.341 -9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.850 0.758 -11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.423 1.703 -12.231 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -11.142 0.095 -10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.563 -0.927 -10.705 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.935 -0.173 -13.408 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.431 -0.658 -12.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -11.575 -2.544 -13.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.490 -2.715 -11.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -12.947 -2.245 -12.662 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.444 1.290 -6.894 1.00 0.00 N ATOM 1998 CA PHE A 128 -12.296 1.855 -5.564 1.00 0.00 C ATOM 1999 C PHE A 128 -11.764 3.288 -5.632 1.00 0.00 C ATOM 2000 O PHE A 128 -11.185 3.691 -6.639 1.00 0.00 O ATOM 2001 CB PHE A 128 -11.283 0.983 -4.818 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.791 -0.424 -4.496 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -11.685 -1.414 -5.423 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -12.349 -0.685 -3.284 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -12.157 -2.720 -5.124 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -12.820 -1.991 -2.985 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.715 -2.980 -3.911 1.00 0.00 C ATOM 0 H PHE A 128 -11.701 0.648 -7.170 1.00 0.00 H new ATOM 0 HA PHE A 128 -13.263 1.879 -5.061 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -10.377 0.902 -5.418 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -11.006 1.480 -3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -11.242 -1.207 -6.386 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -12.434 0.101 -2.548 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -12.073 -3.506 -5.860 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -13.262 -2.198 -2.021 1.00 0.00 H new ATOM 0 HZ PHE A 128 -13.075 -3.973 -3.684 1.00 0.00 H new ATOM 2017 N TYR A 129 -11.979 4.017 -4.547 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.529 5.397 -4.472 1.00 0.00 C ATOM 2019 C TYR A 129 -10.916 5.699 -3.103 1.00 0.00 C ATOM 2020 O TYR A 129 -11.112 4.945 -2.151 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.778 6.259 -4.660 1.00 0.00 C ATOM 2022 CG TYR A 129 -13.907 5.943 -3.676 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -13.753 6.229 -2.335 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -15.078 5.371 -4.130 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -14.815 5.932 -1.409 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -16.140 5.074 -3.205 1.00 0.00 C ATOM 2027 CZ TYR A 129 -15.956 5.369 -1.890 1.00 0.00 C ATOM 2028 OH TYR A 129 -16.959 5.088 -1.015 1.00 0.00 O ATOM 0 H TYR A 129 -12.459 3.679 -3.713 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.768 5.595 -5.227 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -12.502 7.308 -4.555 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -13.148 6.127 -5.677 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -12.836 6.676 -1.980 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -15.198 5.146 -5.180 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.708 6.151 -0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -17.062 4.627 -3.547 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.713 4.690 -1.498 1.00 0.00 H new ATOM 2038 N PRO A 130 -10.168 6.833 -3.046 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.526 7.245 -1.809 1.00 0.00 C ATOM 2040 C PRO A 130 -10.546 7.827 -0.829 1.00 0.00 C ATOM 2041 O PRO A 130 -11.185 8.837 -1.120 1.00 0.00 O ATOM 2042 CB PRO A 130 -8.466 8.250 -2.232 1.00 0.00 C ATOM 2043 CG PRO A 130 -8.862 8.711 -3.625 1.00 0.00 C ATOM 2044 CD PRO A 130 -9.914 7.750 -4.153 1.00 0.00 C ATOM 0 HA PRO A 130 -9.073 6.412 -1.272 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -8.426 9.090 -1.539 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.476 7.794 -2.238 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -9.255 9.727 -3.593 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.993 8.725 -4.283 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.821 8.278 -4.446 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.557 7.217 -5.034 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.666 7.167 0.313 1.00 0.00 N ATOM 2053 CA LEU A 131 -11.597 7.606 1.338 1.00 0.00 C ATOM 2054 C LEU A 131 -11.171 8.983 1.852 1.00 0.00 C ATOM 2055 O LEU A 131 -11.954 9.931 1.821 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.721 6.550 2.438 1.00 0.00 C ATOM 2057 CG LEU A 131 -12.484 5.278 2.064 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -12.256 4.177 3.102 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.971 5.572 1.856 1.00 0.00 C ATOM 0 H LEU A 131 -10.133 6.330 0.551 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.598 7.717 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.718 6.267 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.213 7.005 3.298 1.00 0.00 H new ATOM 0 HG LEU A 131 -12.093 4.911 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.809 3.284 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.193 3.943 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -12.603 4.519 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -14.490 4.651 1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -14.394 5.976 2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -14.089 6.299 1.053 1.00 0.00 H new ATOM 2071 N GLU A 132 -9.930 9.049 2.313 1.00 0.00 N ATOM 2072 CA GLU A 132 -9.390 10.293 2.833 1.00 0.00 C ATOM 2073 C GLU A 132 -8.410 10.907 1.830 1.00 0.00 C ATOM 2074 O GLU A 132 -7.477 10.242 1.383 1.00 0.00 O ATOM 2075 CB GLU A 132 -8.721 10.076 4.191 1.00 0.00 C ATOM 2076 CG GLU A 132 -8.630 11.387 4.974 1.00 0.00 C ATOM 2077 CD GLU A 132 -8.311 11.125 6.447 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -9.152 10.471 7.102 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -7.235 11.585 6.886 1.00 0.00 O ATOM 0 H GLU A 132 -9.283 8.260 2.337 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.215 10.991 2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -9.287 9.343 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.722 9.665 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.858 12.022 4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.572 11.929 4.893 1.00 0.00 H new