USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=24 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 44 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -137:sc= 1.56 (180deg=-1.37) USER MOD Set 1.3: A 63 GLN : amide:sc= -0.401 K(o=1.2,f=-7.4!) USER MOD Single : A 27 SER OG : rot -62:sc= 0.696 USER MOD Single : A 31 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2.3!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.74 X(o=-0.74,f=-0.65) USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.327) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0584 USER MOD Single : A 57 ASN : amide:sc= -0.317 K(o=-0.32,f=-2.3!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -70:sc= 0.225 USER MOD Single : A 60 TYR OH : rot 130:sc= 0 USER MOD Single : A 73 TYR OH : rot -126:sc= 0.874 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.9!) USER MOD Single : A 94 MET CE :methyl -177:sc= -1.69 (180deg=-1.78) 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 103 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.1) USER MOD Single : A 105 MET CE :methyl -155:sc= -0.75 (180deg=-2.9!) 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+ -135:sc= 0.0816 (180deg=0) USER MOD Single : A 112 THR OG1 : rot -93:sc= 1.15 USER MOD Single : A 114 ASN :FLIP amide:sc= -4.13! C(o=-4.7!,f=-4.1!) USER MOD Single : A 117 HIS : no HD1:sc= -0.0951 X(o=-0.095,f=-0.32) USER MOD Single : A 118 SER OG : rot -112:sc= -0.222 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.265 X(o=-0.26,f=0.0028) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 4.156 7.842 7.233 1.00 0.00 N ATOM 288 CA ALA A 21 3.075 6.953 7.626 1.00 0.00 C ATOM 289 C ALA A 21 3.627 5.861 8.545 1.00 0.00 C ATOM 290 O ALA A 21 4.838 5.659 8.616 1.00 0.00 O ATOM 291 CB ALA A 21 2.405 6.380 6.376 1.00 0.00 C ATOM 0 HA ALA A 21 2.313 7.498 8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.595 5.713 6.671 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.004 7.194 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.139 5.823 5.793 1.00 0.00 H new ATOM 297 N ALA A 22 2.712 5.186 9.225 1.00 0.00 N ATOM 298 CA ALA A 22 3.092 4.120 10.136 1.00 0.00 C ATOM 299 C ALA A 22 2.638 2.777 9.560 1.00 0.00 C ATOM 300 O ALA A 22 1.475 2.617 9.191 1.00 0.00 O ATOM 301 CB ALA A 22 2.497 4.393 11.519 1.00 0.00 C ATOM 0 H ALA A 22 1.708 5.357 9.163 1.00 0.00 H new ATOM 0 HA ALA A 22 4.175 4.081 10.250 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.782 3.593 12.202 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.874 5.344 11.896 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.410 4.437 11.445 1.00 0.00 H new ATOM 307 N VAL A 23 3.578 1.846 9.501 1.00 0.00 N ATOM 308 CA VAL A 23 3.289 0.522 8.977 1.00 0.00 C ATOM 309 C VAL A 23 2.140 -0.098 9.774 1.00 0.00 C ATOM 310 O VAL A 23 1.949 0.223 10.946 1.00 0.00 O ATOM 311 CB VAL A 23 4.557 -0.335 8.991 1.00 0.00 C ATOM 312 CG1 VAL A 23 4.221 -1.814 8.790 1.00 0.00 C ATOM 313 CG2 VAL A 23 5.557 0.148 7.939 1.00 0.00 C ATOM 0 H VAL A 23 4.541 1.982 9.808 1.00 0.00 H new ATOM 0 HA VAL A 23 2.967 0.585 7.938 1.00 0.00 H new ATOM 0 HB VAL A 23 5.023 -0.227 9.970 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.139 -2.401 8.804 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.563 -2.150 9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.720 -1.946 7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.449 -0.478 7.970 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.104 0.085 6.950 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.832 1.182 8.146 1.00 0.00 H new ATOM 323 N ASP A 24 1.404 -0.974 9.106 1.00 0.00 N ATOM 324 CA ASP A 24 0.278 -1.641 9.738 1.00 0.00 C ATOM 325 C ASP A 24 0.797 -2.760 10.644 1.00 0.00 C ATOM 326 O ASP A 24 1.823 -3.374 10.354 1.00 0.00 O ATOM 327 CB ASP A 24 -0.646 -2.270 8.693 1.00 0.00 C ATOM 328 CG ASP A 24 -2.118 -1.866 8.806 1.00 0.00 C ATOM 329 OD1 ASP A 24 -2.409 -0.691 8.496 1.00 0.00 O ATOM 330 OD2 ASP A 24 -2.918 -2.742 9.199 1.00 0.00 O ATOM 0 H ASP A 24 1.565 -1.237 8.134 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.277 -0.898 10.310 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.285 -1.999 7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.575 -3.355 8.773 1.00 0.00 H new ATOM 335 N PRO A 25 0.045 -2.997 11.752 1.00 0.00 N ATOM 336 CA PRO A 25 0.419 -4.031 12.703 1.00 0.00 C ATOM 337 C PRO A 25 0.105 -5.422 12.150 1.00 0.00 C ATOM 338 O PRO A 25 0.712 -6.409 12.563 1.00 0.00 O ATOM 339 CB PRO A 25 -0.361 -3.704 13.966 1.00 0.00 C ATOM 340 CG PRO A 25 -1.488 -2.780 13.533 1.00 0.00 C ATOM 341 CD PRO A 25 -1.175 -2.290 12.129 1.00 0.00 C ATOM 0 HA PRO A 25 1.490 -4.050 12.906 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.754 -4.610 14.428 1.00 0.00 H new ATOM 0 HB3 PRO A 25 0.278 -3.221 14.705 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.442 -3.307 13.550 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.577 -1.939 14.220 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.990 -2.513 11.441 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.029 -1.210 12.110 1.00 0.00 H new ATOM 349 N ASP A 26 -0.842 -5.457 11.225 1.00 0.00 N ATOM 350 CA ASP A 26 -1.244 -6.712 10.611 1.00 0.00 C ATOM 351 C ASP A 26 -0.079 -7.269 9.791 1.00 0.00 C ATOM 352 O ASP A 26 0.021 -8.479 9.591 1.00 0.00 O ATOM 353 CB ASP A 26 -2.431 -6.509 9.668 1.00 0.00 C ATOM 354 CG ASP A 26 -3.735 -6.092 10.351 1.00 0.00 C ATOM 355 OD1 ASP A 26 -4.171 -6.844 11.250 1.00 0.00 O ATOM 356 OD2 ASP A 26 -4.268 -5.032 9.959 1.00 0.00 O ATOM 0 H ASP A 26 -1.343 -4.636 10.885 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.529 -7.400 11.407 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.165 -5.750 8.932 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.605 -7.436 9.122 1.00 0.00 H new ATOM 361 N SER A 27 0.773 -6.361 9.339 1.00 0.00 N ATOM 362 CA SER A 27 1.927 -6.747 8.546 1.00 0.00 C ATOM 363 C SER A 27 3.054 -7.230 9.461 1.00 0.00 C ATOM 364 O SER A 27 3.931 -7.977 9.030 1.00 0.00 O ATOM 365 CB SER A 27 2.412 -5.584 7.676 1.00 0.00 C ATOM 366 OG SER A 27 3.230 -4.676 8.407 1.00 0.00 O ATOM 0 H SER A 27 0.687 -5.359 9.507 1.00 0.00 H new ATOM 0 HA SER A 27 1.630 -7.561 7.885 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.973 -5.975 6.828 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.552 -5.051 7.270 1.00 0.00 H new ATOM 0 HG SER A 27 2.707 -4.276 9.133 1.00 0.00 H new ATOM 372 N GLY A 28 2.994 -6.784 10.707 1.00 0.00 N ATOM 373 CA GLY A 28 3.998 -7.161 11.687 1.00 0.00 C ATOM 374 C GLY A 28 5.322 -6.442 11.420 1.00 0.00 C ATOM 375 O GLY A 28 6.308 -6.671 12.118 1.00 0.00 O ATOM 0 H GLY A 28 2.265 -6.164 11.061 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.643 -6.917 12.688 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.153 -8.239 11.657 1.00 0.00 H new ATOM 379 N LEU A 29 5.301 -5.588 10.407 1.00 0.00 N ATOM 380 CA LEU A 29 6.488 -4.835 10.039 1.00 0.00 C ATOM 381 C LEU A 29 6.404 -3.432 10.645 1.00 0.00 C ATOM 382 O LEU A 29 7.070 -2.510 10.178 1.00 0.00 O ATOM 383 CB LEU A 29 6.675 -4.838 8.520 1.00 0.00 C ATOM 384 CG LEU A 29 6.035 -6.007 7.768 1.00 0.00 C ATOM 385 CD1 LEU A 29 6.270 -5.884 6.262 1.00 0.00 C ATOM 386 CD2 LEU A 29 6.527 -7.348 8.318 1.00 0.00 C ATOM 0 H LEU A 29 4.481 -5.401 9.830 1.00 0.00 H new ATOM 0 HA LEU A 29 7.381 -5.307 10.448 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.267 -3.909 8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.744 -4.835 8.305 1.00 0.00 H new ATOM 0 HG LEU A 29 4.958 -5.969 7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.805 -6.727 5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.832 -4.954 5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.341 -5.883 6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.057 -8.162 7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.609 -7.412 8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.265 -7.426 9.373 1.00 0.00 H new ATOM 398 N GLU A 30 5.581 -3.316 11.676 1.00 0.00 N ATOM 399 CA GLU A 30 5.402 -2.042 12.351 1.00 0.00 C ATOM 400 C GLU A 30 6.569 -1.777 13.304 1.00 0.00 C ATOM 401 O GLU A 30 6.826 -0.632 13.674 1.00 0.00 O ATOM 402 CB GLU A 30 4.066 -1.999 13.096 1.00 0.00 C ATOM 403 CG GLU A 30 3.894 -3.231 13.986 1.00 0.00 C ATOM 404 CD GLU A 30 3.230 -2.861 15.313 1.00 0.00 C ATOM 405 OE1 GLU A 30 3.406 -1.696 15.730 1.00 0.00 O ATOM 406 OE2 GLU A 30 2.561 -3.751 15.881 1.00 0.00 O ATOM 0 H GLU A 30 5.030 -4.084 12.061 1.00 0.00 H new ATOM 0 HA GLU A 30 5.387 -1.254 11.598 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.014 -1.096 13.705 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.247 -1.947 12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.290 -3.976 13.468 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.866 -3.685 14.176 1.00 0.00 H new ATOM 413 N HIS A 31 7.246 -2.855 13.673 1.00 0.00 N ATOM 414 CA HIS A 31 8.380 -2.753 14.576 1.00 0.00 C ATOM 415 C HIS A 31 9.639 -3.272 13.878 1.00 0.00 C ATOM 416 O HIS A 31 10.664 -3.492 14.522 1.00 0.00 O ATOM 417 CB HIS A 31 8.092 -3.474 15.894 1.00 0.00 C ATOM 418 CG HIS A 31 7.153 -4.649 15.758 1.00 0.00 C ATOM 419 ND1 HIS A 31 7.225 -5.550 14.711 1.00 0.00 N ATOM 420 CD2 HIS A 31 6.120 -5.059 16.549 1.00 0.00 C ATOM 421 CE1 HIS A 31 6.274 -6.458 14.874 1.00 0.00 C ATOM 422 NE2 HIS A 31 5.590 -6.152 16.013 1.00 0.00 N ATOM 0 H HIS A 31 7.031 -3.803 13.363 1.00 0.00 H new ATOM 0 HA HIS A 31 8.553 -1.708 14.832 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.033 -3.822 16.320 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.666 -2.762 16.601 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.789 -4.577 17.457 1.00 0.00 H new ATOM 0 HE1 HIS A 31 6.075 -7.294 14.219 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.801 -6.676 16.391 1.00 0.00 H new ATOM 430 N SER A 32 9.520 -3.453 12.571 1.00 0.00 N ATOM 431 CA SER A 32 10.636 -3.943 11.779 1.00 0.00 C ATOM 432 C SER A 32 10.886 -3.009 10.593 1.00 0.00 C ATOM 433 O SER A 32 11.953 -2.406 10.487 1.00 0.00 O ATOM 434 CB SER A 32 10.378 -5.368 11.286 1.00 0.00 C ATOM 435 OG SER A 32 11.331 -6.292 11.805 1.00 0.00 O ATOM 0 H SER A 32 8.668 -3.269 12.041 1.00 0.00 H new ATOM 0 HA SER A 32 11.523 -3.961 12.413 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.375 -5.678 11.580 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.411 -5.387 10.197 1.00 0.00 H new ATOM 0 HG SER A 32 11.132 -7.191 11.469 1.00 0.00 H new ATOM 441 N ALA A 33 9.883 -2.918 9.731 1.00 0.00 N ATOM 442 CA ALA A 33 9.981 -2.067 8.557 1.00 0.00 C ATOM 443 C ALA A 33 9.153 -0.800 8.781 1.00 0.00 C ATOM 444 O ALA A 33 8.502 -0.654 9.814 1.00 0.00 O ATOM 445 CB ALA A 33 9.528 -2.848 7.322 1.00 0.00 C ATOM 0 H ALA A 33 8.999 -3.419 9.822 1.00 0.00 H new ATOM 0 HA ALA A 33 11.014 -1.761 8.389 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.601 -2.210 6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.165 -3.723 7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.494 -3.168 7.453 1.00 0.00 H new ATOM 451 N HIS A 34 9.206 0.084 7.795 1.00 0.00 N ATOM 452 CA HIS A 34 8.469 1.334 7.871 1.00 0.00 C ATOM 453 C HIS A 34 7.867 1.660 6.503 1.00 0.00 C ATOM 454 O HIS A 34 8.344 1.172 5.479 1.00 0.00 O ATOM 455 CB HIS A 34 9.358 2.457 8.410 1.00 0.00 C ATOM 456 CG HIS A 34 10.661 2.620 7.664 1.00 0.00 C ATOM 457 ND1 HIS A 34 11.889 2.319 8.226 1.00 0.00 N ATOM 458 CD2 HIS A 34 10.914 3.055 6.397 1.00 0.00 C ATOM 459 CE1 HIS A 34 12.832 2.565 7.329 1.00 0.00 C ATOM 460 NE2 HIS A 34 12.225 3.022 6.195 1.00 0.00 N ATOM 0 H HIS A 34 9.748 -0.041 6.940 1.00 0.00 H new ATOM 0 HA HIS A 34 7.645 1.231 8.577 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.806 3.396 8.366 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.574 2.263 9.461 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.173 3.373 5.679 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.894 2.428 7.470 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.701 3.293 5.334 1.00 0.00 H new ATOM 468 N VAL A 35 6.829 2.482 6.529 1.00 0.00 N ATOM 469 CA VAL A 35 6.157 2.879 5.303 1.00 0.00 C ATOM 470 C VAL A 35 7.195 3.381 4.297 1.00 0.00 C ATOM 471 O VAL A 35 8.012 4.241 4.621 1.00 0.00 O ATOM 472 CB VAL A 35 5.073 3.914 5.612 1.00 0.00 C ATOM 473 CG1 VAL A 35 4.381 4.381 4.330 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.058 3.362 6.614 1.00 0.00 C ATOM 0 H VAL A 35 6.436 2.884 7.380 1.00 0.00 H new ATOM 0 HA VAL A 35 5.652 2.026 4.850 1.00 0.00 H new ATOM 0 HB VAL A 35 5.555 4.779 6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.615 5.116 4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.116 4.833 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.918 3.527 3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.299 4.117 6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.584 2.473 6.199 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.567 3.102 7.542 1.00 0.00 H new ATOM 484 N LEU A 36 7.128 2.822 3.098 1.00 0.00 N ATOM 485 CA LEU A 36 8.052 3.203 2.043 1.00 0.00 C ATOM 486 C LEU A 36 7.675 4.589 1.517 1.00 0.00 C ATOM 487 O LEU A 36 6.520 4.834 1.173 1.00 0.00 O ATOM 488 CB LEU A 36 8.100 2.126 0.958 1.00 0.00 C ATOM 489 CG LEU A 36 9.125 2.341 -0.157 1.00 0.00 C ATOM 490 CD1 LEU A 36 8.527 3.160 -1.302 1.00 0.00 C ATOM 491 CD2 LEU A 36 10.406 2.973 0.391 1.00 0.00 C ATOM 0 H LEU A 36 6.449 2.109 2.833 1.00 0.00 H new ATOM 0 HA LEU A 36 9.067 3.275 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.307 1.168 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.111 2.050 0.506 1.00 0.00 H new ATOM 0 HG LEU A 36 9.395 1.367 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.277 3.298 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.667 2.633 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.210 4.133 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.118 3.115 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.172 3.938 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.842 2.317 1.145 1.00 0.00 H new ATOM 503 N GLU A 37 8.672 5.461 1.471 1.00 0.00 N ATOM 504 CA GLU A 37 8.460 6.816 0.992 1.00 0.00 C ATOM 505 C GLU A 37 9.238 7.050 -0.304 1.00 0.00 C ATOM 506 O GLU A 37 10.323 6.501 -0.488 1.00 0.00 O ATOM 507 CB GLU A 37 8.851 7.842 2.059 1.00 0.00 C ATOM 508 CG GLU A 37 7.660 8.178 2.959 1.00 0.00 C ATOM 509 CD GLU A 37 8.071 8.184 4.433 1.00 0.00 C ATOM 510 OE1 GLU A 37 9.026 8.924 4.752 1.00 0.00 O ATOM 511 OE2 GLU A 37 7.421 7.448 5.206 1.00 0.00 O ATOM 0 H GLU A 37 9.629 5.255 1.758 1.00 0.00 H new ATOM 0 HA GLU A 37 7.398 6.944 0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.669 7.450 2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.216 8.750 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.257 9.153 2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.864 7.449 2.803 1.00 0.00 H new ATOM 518 N LYS A 38 8.653 7.866 -1.169 1.00 0.00 N ATOM 519 CA LYS A 38 9.278 8.178 -2.443 1.00 0.00 C ATOM 520 C LYS A 38 8.734 9.512 -2.960 1.00 0.00 C ATOM 521 O LYS A 38 7.599 9.880 -2.662 1.00 0.00 O ATOM 522 CB LYS A 38 9.101 7.019 -3.426 1.00 0.00 C ATOM 523 CG LYS A 38 10.324 6.879 -4.335 1.00 0.00 C ATOM 524 CD LYS A 38 10.348 5.508 -5.013 1.00 0.00 C ATOM 525 CE LYS A 38 10.267 5.648 -6.535 1.00 0.00 C ATOM 526 NZ LYS A 38 9.269 4.706 -7.090 1.00 0.00 N ATOM 0 H LYS A 38 7.753 8.320 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 38 10.354 8.298 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.945 6.091 -2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.210 7.184 -4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.311 7.663 -5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.234 7.016 -3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.262 4.980 -4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.513 4.906 -4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.996 6.671 -6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.244 5.453 -6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.964 5.036 -8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.695 3.761 -7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.447 4.658 -6.455 1.00 0.00 H new ATOM 540 N GLY A 39 9.569 10.198 -3.725 1.00 0.00 N ATOM 541 CA GLY A 39 9.186 11.483 -4.286 1.00 0.00 C ATOM 542 C GLY A 39 8.388 12.307 -3.273 1.00 0.00 C ATOM 543 O GLY A 39 7.302 12.795 -3.582 1.00 0.00 O ATOM 0 H GLY A 39 10.510 9.889 -3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.078 12.033 -4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.589 11.328 -5.185 1.00 0.00 H new ATOM 547 N GLY A 40 8.958 12.437 -2.084 1.00 0.00 N ATOM 548 CA GLY A 40 8.314 13.194 -1.024 1.00 0.00 C ATOM 549 C GLY A 40 6.860 12.756 -0.843 1.00 0.00 C ATOM 550 O GLY A 40 5.981 13.586 -0.616 1.00 0.00 O ATOM 0 H GLY A 40 9.859 12.031 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.858 13.054 -0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.351 14.258 -1.258 1.00 0.00 H new ATOM 554 N LYS A 41 6.650 11.452 -0.951 1.00 0.00 N ATOM 555 CA LYS A 41 5.317 10.893 -0.803 1.00 0.00 C ATOM 556 C LYS A 41 5.383 9.661 0.102 1.00 0.00 C ATOM 557 O LYS A 41 6.467 9.155 0.390 1.00 0.00 O ATOM 558 CB LYS A 41 4.696 10.617 -2.173 1.00 0.00 C ATOM 559 CG LYS A 41 4.034 11.876 -2.739 1.00 0.00 C ATOM 560 CD LYS A 41 2.548 11.923 -2.378 1.00 0.00 C ATOM 561 CE LYS A 41 1.695 11.302 -3.486 1.00 0.00 C ATOM 562 NZ LYS A 41 0.398 12.007 -3.597 1.00 0.00 N ATOM 0 H LYS A 41 7.381 10.766 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 41 4.655 11.610 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.465 10.266 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.957 9.820 -2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.535 12.762 -2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.150 11.896 -3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.380 11.389 -1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.242 12.956 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.227 11.355 -4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.525 10.246 -3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.169 11.574 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.115 11.935 -2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.565 13.009 -3.821 1.00 0.00 H new ATOM 576 N VAL A 42 4.210 9.213 0.525 1.00 0.00 N ATOM 577 CA VAL A 42 4.121 8.050 1.391 1.00 0.00 C ATOM 578 C VAL A 42 3.269 6.977 0.710 1.00 0.00 C ATOM 579 O VAL A 42 2.237 7.283 0.116 1.00 0.00 O ATOM 580 CB VAL A 42 3.583 8.459 2.763 1.00 0.00 C ATOM 581 CG1 VAL A 42 3.099 7.238 3.548 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.635 9.238 3.555 1.00 0.00 C ATOM 0 H VAL A 42 3.313 9.635 0.284 1.00 0.00 H new ATOM 0 HA VAL A 42 5.109 7.622 1.559 1.00 0.00 H new ATOM 0 HB VAL A 42 2.728 9.117 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.721 7.556 4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.302 6.742 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.928 6.545 3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.227 9.517 4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.518 8.615 3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.911 10.138 3.006 1.00 0.00 H new ATOM 592 N PHE A 43 3.734 5.741 0.818 1.00 0.00 N ATOM 593 CA PHE A 43 3.028 4.620 0.221 1.00 0.00 C ATOM 594 C PHE A 43 1.942 4.092 1.161 1.00 0.00 C ATOM 595 O PHE A 43 1.948 2.916 1.523 1.00 0.00 O ATOM 596 CB PHE A 43 4.060 3.517 -0.019 1.00 0.00 C ATOM 597 CG PHE A 43 4.901 3.715 -1.281 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.597 4.869 -1.461 1.00 0.00 C ATOM 599 CD2 PHE A 43 4.953 2.736 -2.224 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.378 5.053 -2.633 1.00 0.00 C ATOM 601 CE2 PHE A 43 5.734 2.920 -3.396 1.00 0.00 C ATOM 602 CZ PHE A 43 6.429 4.074 -3.576 1.00 0.00 C ATOM 0 H PHE A 43 4.592 5.491 1.310 1.00 0.00 H new ATOM 0 HA PHE A 43 2.547 4.934 -0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.725 3.462 0.843 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.544 2.559 -0.085 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.556 5.646 -0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.401 1.819 -2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.931 5.970 -2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.776 2.143 -4.144 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.022 4.214 -4.468 1.00 0.00 H new ATOM 612 N SER A 44 1.037 4.986 1.529 1.00 0.00 N ATOM 613 CA SER A 44 -0.053 4.624 2.420 1.00 0.00 C ATOM 614 C SER A 44 -1.377 5.159 1.871 1.00 0.00 C ATOM 615 O SER A 44 -1.710 6.326 2.071 1.00 0.00 O ATOM 616 CB SER A 44 0.191 5.159 3.833 1.00 0.00 C ATOM 617 OG SER A 44 -0.633 4.510 4.799 1.00 0.00 O ATOM 0 H SER A 44 1.036 5.960 1.227 1.00 0.00 H new ATOM 0 HA SER A 44 -0.103 3.537 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.239 5.019 4.098 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.003 6.231 3.853 1.00 0.00 H new ATOM 0 HG SER A 44 -0.447 4.878 5.688 1.00 0.00 H new ATOM 623 N ALA A 45 -2.097 4.279 1.191 1.00 0.00 N ATOM 624 CA ALA A 45 -3.378 4.648 0.612 1.00 0.00 C ATOM 625 C ALA A 45 -4.480 3.789 1.235 1.00 0.00 C ATOM 626 O ALA A 45 -4.239 2.647 1.621 1.00 0.00 O ATOM 627 CB ALA A 45 -3.312 4.498 -0.909 1.00 0.00 C ATOM 0 H ALA A 45 -1.818 3.312 1.028 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.611 5.691 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.272 4.775 -1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.533 5.149 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.083 3.463 -1.163 1.00 0.00 H new ATOM 633 N THR A 46 -5.667 4.373 1.313 1.00 0.00 N ATOM 634 CA THR A 46 -6.808 3.675 1.883 1.00 0.00 C ATOM 635 C THR A 46 -7.995 3.718 0.918 1.00 0.00 C ATOM 636 O THR A 46 -8.722 4.709 0.867 1.00 0.00 O ATOM 637 CB THR A 46 -7.110 4.299 3.247 1.00 0.00 C ATOM 638 OG1 THR A 46 -5.949 4.016 4.023 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.238 3.574 3.985 1.00 0.00 C ATOM 0 H THR A 46 -5.864 5.321 0.991 1.00 0.00 H new ATOM 0 HA THR A 46 -6.591 2.618 2.034 1.00 0.00 H new ATOM 0 HB THR A 46 -7.377 5.348 3.116 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.059 4.387 4.923 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.412 4.056 4.947 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.149 3.615 3.388 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.957 2.533 4.147 1.00 0.00 H new ATOM 647 N LEU A 47 -8.154 2.631 0.178 1.00 0.00 N ATOM 648 CA LEU A 47 -9.240 2.531 -0.782 1.00 0.00 C ATOM 649 C LEU A 47 -10.530 2.156 -0.049 1.00 0.00 C ATOM 650 O LEU A 47 -10.492 1.462 0.965 1.00 0.00 O ATOM 651 CB LEU A 47 -8.872 1.567 -1.910 1.00 0.00 C ATOM 652 CG LEU A 47 -8.366 2.209 -3.204 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.724 3.570 -2.926 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.417 1.268 -3.949 1.00 0.00 C ATOM 0 H LEU A 47 -7.549 1.811 0.224 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.413 3.494 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.105 0.885 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.749 0.964 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.222 2.384 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.373 4.005 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.460 4.233 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.881 3.443 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.072 1.749 -4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.561 1.038 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.941 0.346 -4.199 1.00 0.00 H new ATOM 666 N GLY A 48 -11.641 2.633 -0.591 1.00 0.00 N ATOM 667 CA GLY A 48 -12.940 2.357 -0.001 1.00 0.00 C ATOM 668 C GLY A 48 -14.057 2.520 -1.034 1.00 0.00 C ATOM 669 O GLY A 48 -14.144 3.549 -1.702 1.00 0.00 O ATOM 0 H GLY A 48 -11.668 3.209 -1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.954 1.343 0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.114 3.032 0.837 1.00 0.00 H new ATOM 673 N LEU A 49 -14.883 1.489 -1.133 1.00 0.00 N ATOM 674 CA LEU A 49 -15.991 1.505 -2.073 1.00 0.00 C ATOM 675 C LEU A 49 -17.239 0.938 -1.394 1.00 0.00 C ATOM 676 O LEU A 49 -17.180 -0.112 -0.756 1.00 0.00 O ATOM 677 CB LEU A 49 -15.609 0.777 -3.364 1.00 0.00 C ATOM 678 CG LEU A 49 -16.674 0.756 -4.462 1.00 0.00 C ATOM 679 CD1 LEU A 49 -16.357 1.778 -5.554 1.00 0.00 C ATOM 680 CD2 LEU A 49 -16.848 -0.655 -5.029 1.00 0.00 C ATOM 0 H LEU A 49 -14.807 0.637 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 49 -16.225 2.528 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -14.709 1.242 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.352 -0.253 -3.115 1.00 0.00 H new ATOM 0 HG LEU A 49 -17.627 1.045 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.130 1.742 -6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.324 2.777 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.391 1.545 -6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -17.611 -0.643 -5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.903 -0.996 -5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -17.154 -1.332 -4.232 1.00 0.00 H new ATOM 692 N VAL A 50 -18.340 1.658 -1.554 1.00 0.00 N ATOM 693 CA VAL A 50 -19.600 1.240 -0.964 1.00 0.00 C ATOM 694 C VAL A 50 -20.736 1.516 -1.950 1.00 0.00 C ATOM 695 O VAL A 50 -20.911 2.647 -2.401 1.00 0.00 O ATOM 696 CB VAL A 50 -19.800 1.929 0.387 1.00 0.00 C ATOM 697 CG1 VAL A 50 -18.880 3.145 0.523 1.00 0.00 C ATOM 698 CG2 VAL A 50 -21.264 2.324 0.590 1.00 0.00 C ATOM 0 H VAL A 50 -18.385 2.528 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.593 0.168 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.534 1.218 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -19.042 3.617 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -17.841 2.826 0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -19.102 3.859 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -21.378 2.812 1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -21.569 3.010 -0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -21.889 1.432 0.557 1.00 0.00 H new ATOM 708 N ASP A 51 -21.481 0.463 -2.257 1.00 0.00 N ATOM 709 CA ASP A 51 -22.595 0.579 -3.181 1.00 0.00 C ATOM 710 C ASP A 51 -23.798 1.180 -2.451 1.00 0.00 C ATOM 711 O ASP A 51 -23.963 0.977 -1.249 1.00 0.00 O ATOM 712 CB ASP A 51 -23.007 -0.792 -3.721 1.00 0.00 C ATOM 713 CG ASP A 51 -23.385 -0.817 -5.204 1.00 0.00 C ATOM 714 OD1 ASP A 51 -24.249 0.003 -5.582 1.00 0.00 O ATOM 715 OD2 ASP A 51 -22.802 -1.655 -5.924 1.00 0.00 O ATOM 0 H ASP A 51 -21.334 -0.474 -1.882 1.00 0.00 H new ATOM 0 HA ASP A 51 -22.281 1.214 -4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -22.186 -1.491 -3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -23.854 -1.155 -3.139 1.00 0.00 H new ATOM 720 N ILE A 52 -24.607 1.907 -3.208 1.00 0.00 N ATOM 721 CA ILE A 52 -25.789 2.538 -2.648 1.00 0.00 C ATOM 722 C ILE A 52 -27.004 1.640 -2.887 1.00 0.00 C ATOM 723 O ILE A 52 -27.923 1.602 -2.070 1.00 0.00 O ATOM 724 CB ILE A 52 -25.954 3.955 -3.203 1.00 0.00 C ATOM 725 CG1 ILE A 52 -27.253 4.591 -2.705 1.00 0.00 C ATOM 726 CG2 ILE A 52 -25.861 3.960 -4.730 1.00 0.00 C ATOM 727 CD1 ILE A 52 -27.002 6.001 -2.166 1.00 0.00 C ATOM 0 H ILE A 52 -24.467 2.073 -4.205 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.684 2.652 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 52 -25.133 4.566 -2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -27.977 4.632 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -27.689 3.971 -1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -25.982 4.979 -5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -24.888 3.576 -5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -26.647 3.329 -5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.942 6.430 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -26.296 5.953 -1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.589 6.625 -2.958 1.00 0.00 H new ATOM 739 N VAL A 53 -26.969 0.938 -4.010 1.00 0.00 N ATOM 740 CA VAL A 53 -28.056 0.041 -4.367 1.00 0.00 C ATOM 741 C VAL A 53 -27.867 -1.294 -3.645 1.00 0.00 C ATOM 742 O VAL A 53 -28.710 -1.696 -2.844 1.00 0.00 O ATOM 743 CB VAL A 53 -28.134 -0.106 -5.887 1.00 0.00 C ATOM 744 CG1 VAL A 53 -28.843 -1.405 -6.276 1.00 0.00 C ATOM 745 CG2 VAL A 53 -28.822 1.105 -6.521 1.00 0.00 C ATOM 0 H VAL A 53 -26.205 0.972 -4.685 1.00 0.00 H new ATOM 0 HA VAL A 53 -29.013 0.452 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 53 -27.115 -0.152 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -28.885 -1.485 -7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -28.294 -2.255 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -29.856 -1.402 -5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -28.864 0.975 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -29.834 1.196 -6.127 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -28.258 2.008 -6.286 1.00 0.00 H new ATOM 755 N LYS A 54 -26.756 -1.946 -3.955 1.00 0.00 N ATOM 756 CA LYS A 54 -26.446 -3.228 -3.346 1.00 0.00 C ATOM 757 C LYS A 54 -26.281 -3.045 -1.836 1.00 0.00 C ATOM 758 O LYS A 54 -26.267 -4.020 -1.086 1.00 0.00 O ATOM 759 CB LYS A 54 -25.231 -3.864 -4.024 1.00 0.00 C ATOM 760 CG LYS A 54 -25.529 -4.190 -5.489 1.00 0.00 C ATOM 761 CD LYS A 54 -25.729 -5.694 -5.687 1.00 0.00 C ATOM 762 CE LYS A 54 -27.197 -6.081 -5.493 1.00 0.00 C ATOM 763 NZ LYS A 54 -27.945 -5.927 -6.761 1.00 0.00 N ATOM 0 H LYS A 54 -26.059 -1.610 -4.620 1.00 0.00 H new ATOM 0 HA LYS A 54 -27.268 -3.928 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -24.380 -3.185 -3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -24.950 -4.775 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -26.423 -3.655 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -24.708 -3.843 -6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -25.403 -5.980 -6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -25.108 -6.244 -4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -27.265 -7.112 -5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -27.645 -5.456 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -28.939 -6.194 -6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -27.895 -4.937 -7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -27.527 -6.542 -7.488 1.00 0.00 H new ATOM 777 N GLY A 55 -26.160 -1.788 -1.435 1.00 0.00 N ATOM 778 CA GLY A 55 -25.996 -1.463 -0.028 1.00 0.00 C ATOM 779 C GLY A 55 -24.820 -2.232 0.579 1.00 0.00 C ATOM 780 O GLY A 55 -24.791 -2.480 1.783 1.00 0.00 O ATOM 0 H GLY A 55 -26.172 -0.982 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.831 -0.391 0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.911 -1.704 0.514 1.00 0.00 H new ATOM 784 N THR A 56 -23.879 -2.587 -0.284 1.00 0.00 N ATOM 785 CA THR A 56 -22.704 -3.322 0.152 1.00 0.00 C ATOM 786 C THR A 56 -21.508 -2.378 0.298 1.00 0.00 C ATOM 787 O THR A 56 -21.140 -1.686 -0.650 1.00 0.00 O ATOM 788 CB THR A 56 -22.462 -4.459 -0.842 1.00 0.00 C ATOM 789 OG1 THR A 56 -22.682 -3.860 -2.116 1.00 0.00 O ATOM 790 CG2 THR A 56 -23.531 -5.551 -0.754 1.00 0.00 C ATOM 0 H THR A 56 -23.907 -2.379 -1.282 1.00 0.00 H new ATOM 0 HA THR A 56 -22.855 -3.760 1.139 1.00 0.00 H new ATOM 0 HB THR A 56 -21.480 -4.896 -0.661 1.00 0.00 H new ATOM 0 HG1 THR A 56 -22.544 -4.528 -2.820 1.00 0.00 H new ATOM 0 HG21 THR A 56 -23.312 -6.334 -1.480 1.00 0.00 H new ATOM 0 HG22 THR A 56 -23.534 -5.977 0.249 1.00 0.00 H new ATOM 0 HG23 THR A 56 -24.509 -5.121 -0.968 1.00 0.00 H new ATOM 798 N ASN A 57 -20.935 -2.380 1.493 1.00 0.00 N ATOM 799 CA ASN A 57 -19.789 -1.533 1.775 1.00 0.00 C ATOM 800 C ASN A 57 -18.504 -2.339 1.576 1.00 0.00 C ATOM 801 O ASN A 57 -18.469 -3.537 1.852 1.00 0.00 O ATOM 802 CB ASN A 57 -19.816 -1.034 3.221 1.00 0.00 C ATOM 803 CG ASN A 57 -21.083 -0.224 3.498 1.00 0.00 C ATOM 804 OD1 ASN A 57 -22.193 -0.639 3.207 1.00 0.00 O ATOM 805 ND2 ASN A 57 -20.858 0.952 4.076 1.00 0.00 N ATOM 0 H ASN A 57 -21.243 -2.955 2.277 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.825 -0.679 1.098 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.766 -1.883 3.903 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.937 -0.418 3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -21.640 1.567 4.302 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.904 1.239 4.293 1.00 0.00 H new ATOM 812 N SER A 58 -17.478 -1.648 1.099 1.00 0.00 N ATOM 813 CA SER A 58 -16.194 -2.285 0.860 1.00 0.00 C ATOM 814 C SER A 58 -15.059 -1.329 1.234 1.00 0.00 C ATOM 815 O SER A 58 -15.156 -0.124 1.005 1.00 0.00 O ATOM 816 CB SER A 58 -16.059 -2.723 -0.600 1.00 0.00 C ATOM 817 OG SER A 58 -17.201 -3.448 -1.047 1.00 0.00 O ATOM 0 H SER A 58 -17.510 -0.654 0.872 1.00 0.00 H new ATOM 0 HA SER A 58 -16.132 -3.176 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.917 -1.845 -1.230 1.00 0.00 H new ATOM 0 HB3 SER A 58 -15.169 -3.343 -0.712 1.00 0.00 H new ATOM 0 HG SER A 58 -17.077 -3.709 -1.984 1.00 0.00 H new ATOM 823 N TYR A 59 -14.009 -1.903 1.803 1.00 0.00 N ATOM 824 CA TYR A 59 -12.857 -1.117 2.212 1.00 0.00 C ATOM 825 C TYR A 59 -11.553 -1.862 1.918 1.00 0.00 C ATOM 826 O TYR A 59 -11.448 -3.061 2.174 1.00 0.00 O ATOM 827 CB TYR A 59 -12.992 -0.925 3.724 1.00 0.00 C ATOM 828 CG TYR A 59 -12.503 -2.118 4.548 1.00 0.00 C ATOM 829 CD1 TYR A 59 -11.150 -2.352 4.687 1.00 0.00 C ATOM 830 CD2 TYR A 59 -13.415 -2.959 5.153 1.00 0.00 C ATOM 831 CE1 TYR A 59 -10.690 -3.474 5.464 1.00 0.00 C ATOM 832 CE2 TYR A 59 -12.954 -4.081 5.929 1.00 0.00 C ATOM 833 CZ TYR A 59 -11.615 -4.284 6.046 1.00 0.00 C ATOM 834 OH TYR A 59 -11.180 -5.344 6.779 1.00 0.00 O ATOM 0 H TYR A 59 -13.932 -2.903 1.990 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.827 -0.171 1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.431 -0.038 4.019 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -14.038 -0.735 3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.436 -1.694 4.213 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.474 -2.776 5.044 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.634 -3.668 5.582 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.657 -4.747 6.408 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.796 -6.019 6.182 1.00 0.00 H new ATOM 844 N TYR A 60 -10.593 -1.122 1.385 1.00 0.00 N ATOM 845 CA TYR A 60 -9.300 -1.698 1.054 1.00 0.00 C ATOM 846 C TYR A 60 -8.161 -0.856 1.633 1.00 0.00 C ATOM 847 O TYR A 60 -8.299 0.355 1.795 1.00 0.00 O ATOM 848 CB TYR A 60 -9.208 -1.678 -0.473 1.00 0.00 C ATOM 849 CG TYR A 60 -8.039 -2.488 -1.036 1.00 0.00 C ATOM 850 CD1 TYR A 60 -8.205 -3.826 -1.331 1.00 0.00 C ATOM 851 CD2 TYR A 60 -6.819 -1.880 -1.250 1.00 0.00 C ATOM 852 CE1 TYR A 60 -7.105 -4.588 -1.861 1.00 0.00 C ATOM 853 CE2 TYR A 60 -5.718 -2.643 -1.781 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.916 -3.959 -2.060 1.00 0.00 C ATOM 855 OH TYR A 60 -4.876 -4.679 -2.561 1.00 0.00 O ATOM 0 H TYR A 60 -10.684 -0.128 1.174 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.211 -2.704 1.465 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.138 -2.065 -0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.116 -0.645 -0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.160 -4.301 -1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.689 -0.833 -1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.221 -5.636 -2.095 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.758 -2.180 -1.953 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.482 -4.200 -3.320 1.00 0.00 H new ATOM 865 N LYS A 61 -7.060 -1.532 1.929 1.00 0.00 N ATOM 866 CA LYS A 61 -5.898 -0.862 2.486 1.00 0.00 C ATOM 867 C LYS A 61 -4.640 -1.346 1.762 1.00 0.00 C ATOM 868 O LYS A 61 -4.523 -2.526 1.434 1.00 0.00 O ATOM 869 CB LYS A 61 -5.846 -1.052 4.003 1.00 0.00 C ATOM 870 CG LYS A 61 -6.154 0.259 4.731 1.00 0.00 C ATOM 871 CD LYS A 61 -4.900 1.128 4.849 1.00 0.00 C ATOM 872 CE LYS A 61 -4.616 1.485 6.309 1.00 0.00 C ATOM 873 NZ LYS A 61 -4.335 0.264 7.096 1.00 0.00 N ATOM 0 H LYS A 61 -6.949 -2.537 1.793 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.965 0.214 2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.564 -1.816 4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.859 -1.411 4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.929 0.804 4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.547 0.044 5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.045 0.599 4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.029 2.040 4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.765 2.164 6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.471 2.010 6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.829 0.319 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.667 -0.571 6.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.311 0.185 7.260 1.00 0.00 H new ATOM 887 N LEU A 62 -3.730 -0.410 1.534 1.00 0.00 N ATOM 888 CA LEU A 62 -2.485 -0.727 0.855 1.00 0.00 C ATOM 889 C LEU A 62 -1.350 0.095 1.470 1.00 0.00 C ATOM 890 O LEU A 62 -1.467 1.311 1.615 1.00 0.00 O ATOM 891 CB LEU A 62 -2.634 -0.534 -0.655 1.00 0.00 C ATOM 892 CG LEU A 62 -1.598 -1.246 -1.528 1.00 0.00 C ATOM 893 CD1 LEU A 62 -1.984 -2.709 -1.754 1.00 0.00 C ATOM 894 CD2 LEU A 62 -1.386 -0.499 -2.846 1.00 0.00 C ATOM 0 H LEU A 62 -3.830 0.568 1.807 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.232 -1.778 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.626 -0.878 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.590 0.533 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.645 -1.243 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.231 -3.192 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.044 -3.222 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.952 -2.757 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.645 -1.026 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.328 -0.450 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.033 0.511 -2.639 1.00 0.00 H new ATOM 906 N GLN A 63 -0.278 -0.602 1.816 1.00 0.00 N ATOM 907 CA GLN A 63 0.877 0.047 2.412 1.00 0.00 C ATOM 908 C GLN A 63 2.150 -0.741 2.099 1.00 0.00 C ATOM 909 O GLN A 63 2.147 -1.971 2.131 1.00 0.00 O ATOM 910 CB GLN A 63 0.693 0.215 3.922 1.00 0.00 C ATOM 911 CG GLN A 63 -0.665 0.840 4.243 1.00 0.00 C ATOM 912 CD GLN A 63 -0.841 1.025 5.751 1.00 0.00 C ATOM 913 OE1 GLN A 63 -1.818 0.598 6.345 1.00 0.00 O ATOM 914 NE2 GLN A 63 0.155 1.684 6.336 1.00 0.00 N ATOM 0 H GLN A 63 -0.185 -1.611 1.695 1.00 0.00 H new ATOM 0 HA GLN A 63 0.974 1.042 1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.776 -0.755 4.412 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.490 0.843 4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.753 1.804 3.742 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.462 0.205 3.855 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.944 2.014 5.780 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.130 1.859 7.341 1.00 0.00 H new ATOM 923 N LEU A 64 3.209 -0.001 1.803 1.00 0.00 N ATOM 924 CA LEU A 64 4.486 -0.616 1.484 1.00 0.00 C ATOM 925 C LEU A 64 5.473 -0.351 2.624 1.00 0.00 C ATOM 926 O LEU A 64 5.645 0.790 3.049 1.00 0.00 O ATOM 927 CB LEU A 64 4.983 -0.140 0.118 1.00 0.00 C ATOM 928 CG LEU A 64 5.943 -1.083 -0.612 1.00 0.00 C ATOM 929 CD1 LEU A 64 5.969 -0.783 -2.112 1.00 0.00 C ATOM 930 CD2 LEU A 64 7.340 -1.031 0.008 1.00 0.00 C ATOM 0 H LEU A 64 3.208 1.019 1.777 1.00 0.00 H new ATOM 0 HA LEU A 64 4.378 -1.697 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.117 0.032 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.479 0.822 0.249 1.00 0.00 H new ATOM 0 HG LEU A 64 5.577 -2.103 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.658 -1.466 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.969 -0.912 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.298 0.244 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.002 -1.710 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.730 -0.015 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.285 -1.330 1.055 1.00 0.00 H new ATOM 942 N LEU A 65 6.095 -1.426 3.086 1.00 0.00 N ATOM 943 CA LEU A 65 7.060 -1.324 4.167 1.00 0.00 C ATOM 944 C LEU A 65 8.436 -1.763 3.661 1.00 0.00 C ATOM 945 O LEU A 65 8.556 -2.784 2.985 1.00 0.00 O ATOM 946 CB LEU A 65 6.578 -2.106 5.391 1.00 0.00 C ATOM 947 CG LEU A 65 5.071 -2.360 5.473 1.00 0.00 C ATOM 948 CD1 LEU A 65 4.283 -1.142 4.989 1.00 0.00 C ATOM 949 CD2 LEU A 65 4.687 -3.631 4.712 1.00 0.00 C ATOM 0 H LEU A 65 5.949 -2.371 2.732 1.00 0.00 H new ATOM 0 HA LEU A 65 7.156 -0.289 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.090 -3.068 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.885 -1.566 6.287 1.00 0.00 H new ATOM 0 HG LEU A 65 4.808 -2.519 6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.215 -1.349 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.526 -0.281 5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.545 -0.927 3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.611 -3.788 4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.967 -3.526 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.209 -4.485 5.143 1.00 0.00 H new ATOM 961 N GLU A 66 9.439 -0.969 4.006 1.00 0.00 N ATOM 962 CA GLU A 66 10.801 -1.262 3.595 1.00 0.00 C ATOM 963 C GLU A 66 11.668 -1.580 4.816 1.00 0.00 C ATOM 964 O GLU A 66 11.471 -1.007 5.886 1.00 0.00 O ATOM 965 CB GLU A 66 11.392 -0.104 2.789 1.00 0.00 C ATOM 966 CG GLU A 66 11.821 1.041 3.709 1.00 0.00 C ATOM 967 CD GLU A 66 12.418 2.198 2.904 1.00 0.00 C ATOM 968 OE1 GLU A 66 13.314 1.913 2.081 1.00 0.00 O ATOM 969 OE2 GLU A 66 11.963 3.340 3.130 1.00 0.00 O ATOM 0 H GLU A 66 9.335 -0.123 4.566 1.00 0.00 H new ATOM 0 HA GLU A 66 10.783 -2.139 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.250 -0.456 2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.656 0.258 2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.962 1.395 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.554 0.678 4.429 1.00 0.00 H new ATOM 976 N ASP A 67 12.607 -2.492 4.613 1.00 0.00 N ATOM 977 CA ASP A 67 13.504 -2.892 5.684 1.00 0.00 C ATOM 978 C ASP A 67 14.289 -1.671 6.170 1.00 0.00 C ATOM 979 O ASP A 67 14.829 -0.916 5.364 1.00 0.00 O ATOM 980 CB ASP A 67 14.510 -3.938 5.198 1.00 0.00 C ATOM 981 CG ASP A 67 15.130 -4.800 6.300 1.00 0.00 C ATOM 982 OD1 ASP A 67 14.407 -5.070 7.283 1.00 0.00 O ATOM 983 OD2 ASP A 67 16.313 -5.168 6.134 1.00 0.00 O ATOM 0 H ASP A 67 12.766 -2.965 3.724 1.00 0.00 H new ATOM 0 HA ASP A 67 12.902 -3.316 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.013 -4.593 4.482 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.311 -3.428 4.662 1.00 0.00 H new ATOM 988 N ASP A 68 14.326 -1.517 7.485 1.00 0.00 N ATOM 989 CA ASP A 68 15.036 -0.401 8.087 1.00 0.00 C ATOM 990 C ASP A 68 16.488 -0.407 7.608 1.00 0.00 C ATOM 991 O ASP A 68 17.180 0.606 7.698 1.00 0.00 O ATOM 992 CB ASP A 68 15.041 -0.511 9.613 1.00 0.00 C ATOM 993 CG ASP A 68 15.276 0.806 10.356 1.00 0.00 C ATOM 994 OD1 ASP A 68 16.105 1.598 9.859 1.00 0.00 O ATOM 995 OD2 ASP A 68 14.621 0.991 11.404 1.00 0.00 O ATOM 0 H ASP A 68 13.876 -2.146 8.150 1.00 0.00 H new ATOM 0 HA ASP A 68 14.530 0.519 7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.087 -0.927 9.935 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.814 -1.220 9.909 1.00 0.00 H new ATOM 1051 N ARG A 72 15.332 -4.702 1.825 1.00 0.00 N ATOM 1052 CA ARG A 72 14.177 -5.576 1.702 1.00 0.00 C ATOM 1053 C ARG A 72 12.884 -4.769 1.839 1.00 0.00 C ATOM 1054 O ARG A 72 12.872 -3.711 2.468 1.00 0.00 O ATOM 1055 CB ARG A 72 14.201 -6.673 2.768 1.00 0.00 C ATOM 1056 CG ARG A 72 13.770 -8.018 2.179 1.00 0.00 C ATOM 1057 CD ARG A 72 13.268 -8.961 3.275 1.00 0.00 C ATOM 1058 NE ARG A 72 12.940 -10.282 2.694 1.00 0.00 N ATOM 1059 CZ ARG A 72 12.773 -11.399 3.416 1.00 0.00 C ATOM 1060 NH1 ARG A 72 12.903 -11.361 4.749 1.00 0.00 N ATOM 1061 NH2 ARG A 72 12.477 -12.554 2.804 1.00 0.00 N ATOM 0 HA ARG A 72 14.216 -6.041 0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.205 -6.759 3.184 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.537 -6.402 3.589 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.983 -7.861 1.441 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.610 -8.476 1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.029 -9.073 4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.387 -8.537 3.756 1.00 0.00 H new ATOM 0 HE ARG A 72 12.834 -10.346 1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.129 -10.482 5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.776 -12.211 5.298 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.379 -12.583 1.789 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.350 -13.404 3.353 1.00 0.00 H new ATOM 1075 N TYR A 73 11.827 -5.299 1.242 1.00 0.00 N ATOM 1076 CA TYR A 73 10.532 -4.641 1.289 1.00 0.00 C ATOM 1077 C TYR A 73 9.398 -5.667 1.345 1.00 0.00 C ATOM 1078 O TYR A 73 9.589 -6.828 0.987 1.00 0.00 O ATOM 1079 CB TYR A 73 10.417 -3.841 -0.010 1.00 0.00 C ATOM 1080 CG TYR A 73 11.375 -2.651 -0.094 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.725 -2.863 -0.286 1.00 0.00 C ATOM 1082 CD2 TYR A 73 10.888 -1.365 0.022 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.626 -1.743 -0.366 1.00 0.00 C ATOM 1084 CE2 TYR A 73 11.789 -0.244 -0.058 1.00 0.00 C ATOM 1085 CZ TYR A 73 13.113 -0.488 -0.248 1.00 0.00 C ATOM 1086 OH TYR A 73 13.964 0.570 -0.323 1.00 0.00 O ATOM 0 H TYR A 73 11.841 -6.177 0.723 1.00 0.00 H new ATOM 0 HA TYR A 73 10.453 -4.011 2.175 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.606 -4.506 -0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.394 -3.479 -0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.106 -3.870 -0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.832 -1.199 0.173 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.685 -1.895 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.421 0.768 0.031 1.00 0.00 H new ATOM 0 HH TYR A 73 13.847 1.140 0.466 1.00 0.00 H new ATOM 1096 N TRP A 74 8.243 -5.200 1.796 1.00 0.00 N ATOM 1097 CA TRP A 74 7.078 -6.062 1.903 1.00 0.00 C ATOM 1098 C TRP A 74 5.904 -5.357 1.222 1.00 0.00 C ATOM 1099 O TRP A 74 6.007 -4.188 0.853 1.00 0.00 O ATOM 1100 CB TRP A 74 6.794 -6.421 3.363 1.00 0.00 C ATOM 1101 CG TRP A 74 7.698 -7.524 3.920 1.00 0.00 C ATOM 1102 CD1 TRP A 74 7.633 -8.841 3.685 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.813 -7.349 4.820 1.00 0.00 C ATOM 1104 NE1 TRP A 74 8.619 -9.526 4.365 1.00 0.00 N ATOM 1105 CE2 TRP A 74 9.360 -8.589 5.077 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.341 -6.181 5.397 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.463 -8.781 5.917 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.444 -6.390 6.234 1.00 0.00 C ATOM 1109 CH2 TRP A 74 11.006 -7.632 6.503 1.00 0.00 C ATOM 0 H TRP A 74 8.089 -4.236 2.091 1.00 0.00 H new ATOM 0 HA TRP A 74 7.254 -7.012 1.398 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.910 -5.527 3.975 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.755 -6.737 3.453 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.900 -9.308 3.044 1.00 0.00 H new ATOM 0 HE1 TRP A 74 8.776 -10.534 4.349 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.929 -5.200 5.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.873 -9.763 6.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 10.889 -5.525 6.703 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.858 -7.710 7.162 1.00 0.00 H new ATOM 1120 N ILE A 75 4.815 -6.097 1.076 1.00 0.00 N ATOM 1121 CA ILE A 75 3.622 -5.557 0.446 1.00 0.00 C ATOM 1122 C ILE A 75 2.401 -5.892 1.304 1.00 0.00 C ATOM 1123 O ILE A 75 1.987 -7.048 1.378 1.00 0.00 O ATOM 1124 CB ILE A 75 3.511 -6.047 -0.999 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.460 -5.272 -1.916 1.00 0.00 C ATOM 1126 CG2 ILE A 75 2.063 -5.986 -1.489 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.922 -3.868 -2.200 1.00 0.00 C ATOM 0 H ILE A 75 4.734 -7.066 1.383 1.00 0.00 H new ATOM 0 HA ILE A 75 3.682 -4.470 0.386 1.00 0.00 H new ATOM 0 HB ILE A 75 3.817 -7.093 -1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.444 -5.202 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.588 -5.813 -2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.012 -6.340 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.438 -6.617 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.706 -4.957 -1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.615 -3.338 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.949 -3.943 -2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.818 -3.322 -1.263 1.00 0.00 H new ATOM 1139 N PHE A 76 1.857 -4.859 1.932 1.00 0.00 N ATOM 1140 CA PHE A 76 0.692 -5.029 2.783 1.00 0.00 C ATOM 1141 C PHE A 76 -0.596 -4.718 2.017 1.00 0.00 C ATOM 1142 O PHE A 76 -0.749 -3.627 1.470 1.00 0.00 O ATOM 1143 CB PHE A 76 0.834 -4.039 3.940 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.297 -4.116 4.968 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -0.565 -5.292 5.597 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -1.033 -3.009 5.253 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -1.614 -5.364 6.551 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -2.083 -3.081 6.207 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.351 -4.257 6.835 1.00 0.00 C ATOM 0 H PHE A 76 2.202 -3.901 1.868 1.00 0.00 H new ATOM 0 HA PHE A 76 0.635 -6.059 3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.783 -4.220 4.445 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.876 -3.027 3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.020 -6.171 5.371 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.819 -2.075 4.754 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.827 -6.297 7.051 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.668 -2.202 6.433 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.150 -4.312 7.560 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.489 -5.696 2.003 1.00 0.00 N ATOM 1160 CA ARG A 77 -2.759 -5.540 1.313 1.00 0.00 C ATOM 1161 C ARG A 77 -3.883 -6.198 2.116 1.00 0.00 C ATOM 1162 O ARG A 77 -3.887 -7.413 2.304 1.00 0.00 O ATOM 1163 CB ARG A 77 -2.707 -6.163 -0.083 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.505 -7.099 -0.222 1.00 0.00 C ATOM 1165 CD ARG A 77 -1.514 -7.807 -1.579 1.00 0.00 C ATOM 1166 NE ARG A 77 -2.755 -8.600 -1.727 1.00 0.00 N ATOM 1167 CZ ARG A 77 -3.009 -9.410 -2.764 1.00 0.00 C ATOM 1168 NH1 ARG A 77 -2.111 -9.538 -3.750 1.00 0.00 N ATOM 1169 NH2 ARG A 77 -4.162 -10.091 -2.815 1.00 0.00 N ATOM 0 H ARG A 77 -1.359 -6.600 2.458 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.955 -4.472 1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.627 -6.716 -0.273 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.648 -5.376 -0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.582 -6.530 -0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.522 -7.839 0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.443 -7.073 -2.382 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.644 -8.458 -1.665 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.461 -8.525 -0.994 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.234 -9.019 -3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.305 -10.155 -4.539 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.846 -9.993 -2.065 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.356 -10.708 -3.604 1.00 0.00 H new ATOM 1183 N SER A 78 -4.810 -5.365 2.567 1.00 0.00 N ATOM 1184 CA SER A 78 -5.937 -5.850 3.346 1.00 0.00 C ATOM 1185 C SER A 78 -7.250 -5.460 2.664 1.00 0.00 C ATOM 1186 O SER A 78 -7.370 -4.362 2.124 1.00 0.00 O ATOM 1187 CB SER A 78 -5.897 -5.303 4.774 1.00 0.00 C ATOM 1188 OG SER A 78 -7.145 -5.461 5.442 1.00 0.00 O ATOM 0 H SER A 78 -4.804 -4.358 2.408 1.00 0.00 H new ATOM 0 HA SER A 78 -5.872 -6.937 3.401 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.117 -5.816 5.337 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.630 -4.246 4.750 1.00 0.00 H new ATOM 0 HG SER A 78 -7.077 -5.101 6.351 1.00 0.00 H new ATOM 1194 N TRP A 79 -8.201 -6.381 2.712 1.00 0.00 N ATOM 1195 CA TRP A 79 -9.501 -6.147 2.107 1.00 0.00 C ATOM 1196 C TRP A 79 -10.574 -6.562 3.115 1.00 0.00 C ATOM 1197 O TRP A 79 -10.269 -6.835 4.275 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.622 -6.880 0.769 1.00 0.00 C ATOM 1199 CG TRP A 79 -9.342 -8.381 0.854 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -10.221 -9.376 1.035 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -8.053 -9.023 0.753 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -9.596 -10.606 1.058 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -8.236 -10.384 0.882 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -6.774 -8.470 0.560 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -7.184 -11.307 0.831 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.734 -9.406 0.512 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -5.902 -10.780 0.639 1.00 0.00 C ATOM 0 H TRP A 79 -8.097 -7.291 3.161 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.633 -5.091 1.874 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.627 -6.730 0.374 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.929 -6.431 0.057 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.285 -9.233 1.149 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -10.049 -11.511 1.181 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.608 -7.408 0.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.353 -12.369 0.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -4.731 -9.034 0.366 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -5.047 -11.438 0.590 1.00 0.00 H new ATOM 1218 N GLY A 80 -11.809 -6.596 2.636 1.00 0.00 N ATOM 1219 CA GLY A 80 -12.929 -6.974 3.481 1.00 0.00 C ATOM 1220 C GLY A 80 -14.042 -5.926 3.415 1.00 0.00 C ATOM 1221 O GLY A 80 -13.770 -4.728 3.358 1.00 0.00 O ATOM 0 H GLY A 80 -12.059 -6.368 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.317 -7.942 3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.591 -7.086 4.511 1.00 0.00 H new ATOM 1225 N ARG A 81 -15.273 -6.416 3.425 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.429 -5.537 3.368 1.00 0.00 C ATOM 1227 C ARG A 81 -16.702 -4.928 4.745 1.00 0.00 C ATOM 1228 O ARG A 81 -16.041 -5.274 5.723 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.673 -6.293 2.897 1.00 0.00 C ATOM 1230 CG ARG A 81 -17.684 -6.436 1.374 1.00 0.00 C ATOM 1231 CD ARG A 81 -18.493 -7.661 0.944 1.00 0.00 C ATOM 1232 NE ARG A 81 -18.456 -7.801 -0.529 1.00 0.00 N ATOM 1233 CZ ARG A 81 -18.977 -8.838 -1.199 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -19.578 -9.833 -0.531 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -18.896 -8.882 -2.535 1.00 0.00 N ATOM 0 H ARG A 81 -15.495 -7.410 3.472 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.207 -4.744 2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.700 -7.280 3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.569 -5.765 3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.109 -5.539 0.924 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.662 -6.523 1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -18.088 -8.558 1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -19.524 -7.563 1.282 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.006 -7.062 -1.068 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.639 -9.800 0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.975 -10.623 -1.040 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.437 -8.126 -3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.293 -9.672 -3.044 1.00 0.00 H new ATOM 1328 N SER A 88 -10.070 -9.920 5.768 1.00 0.00 N ATOM 1329 CA SER A 88 -8.798 -10.619 5.830 1.00 0.00 C ATOM 1330 C SER A 88 -7.677 -9.711 5.321 1.00 0.00 C ATOM 1331 O SER A 88 -7.940 -8.684 4.697 1.00 0.00 O ATOM 1332 CB SER A 88 -8.841 -11.915 5.017 1.00 0.00 C ATOM 1333 OG SER A 88 -9.216 -13.034 5.816 1.00 0.00 O ATOM 0 HA SER A 88 -8.602 -10.880 6.870 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.548 -11.804 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.862 -12.098 4.574 1.00 0.00 H new ATOM 0 HG SER A 88 -9.234 -13.841 5.261 1.00 0.00 H new ATOM 1339 N ASN A 89 -6.450 -10.122 5.605 1.00 0.00 N ATOM 1340 CA ASN A 89 -5.288 -9.359 5.184 1.00 0.00 C ATOM 1341 C ASN A 89 -4.240 -10.310 4.603 1.00 0.00 C ATOM 1342 O ASN A 89 -4.229 -11.498 4.925 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.654 -8.623 6.366 1.00 0.00 C ATOM 1344 CG ASN A 89 -4.631 -9.508 7.614 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -5.482 -9.420 8.484 1.00 0.00 O ATOM 1346 ND2 ASN A 89 -3.613 -10.363 7.653 1.00 0.00 N ATOM 0 H ASN A 89 -6.235 -10.975 6.122 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.615 -8.633 4.440 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.638 -8.323 6.110 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.213 -7.710 6.573 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.510 -10.997 8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -2.936 -10.385 6.891 1.00 0.00 H new ATOM 1353 N LYS A 90 -3.386 -9.754 3.757 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.337 -10.539 3.128 1.00 0.00 C ATOM 1355 C LYS A 90 -1.051 -9.711 3.072 1.00 0.00 C ATOM 1356 O LYS A 90 -1.094 -8.507 2.824 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.798 -11.053 1.763 1.00 0.00 C ATOM 1358 CG LYS A 90 -1.641 -11.706 1.004 1.00 0.00 C ATOM 1359 CD LYS A 90 -1.595 -13.213 1.265 1.00 0.00 C ATOM 1360 CE LYS A 90 -1.188 -13.976 0.003 1.00 0.00 C ATOM 1361 NZ LYS A 90 -1.822 -15.313 -0.021 1.00 0.00 N ATOM 0 H LYS A 90 -3.399 -8.769 3.492 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.119 -11.428 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.604 -11.775 1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.202 -10.228 1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.752 -11.522 -0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.699 -11.251 1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.888 -13.425 2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.572 -13.557 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.483 -13.411 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.104 -14.080 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.535 -15.818 -0.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.520 -15.855 0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.857 -15.207 -0.009 1.00 0.00 H new ATOM 1375 N LEU A 91 0.062 -10.390 3.305 1.00 0.00 N ATOM 1376 CA LEU A 91 1.358 -9.732 3.283 1.00 0.00 C ATOM 1377 C LEU A 91 2.330 -10.558 2.438 1.00 0.00 C ATOM 1378 O LEU A 91 2.285 -11.787 2.456 1.00 0.00 O ATOM 1379 CB LEU A 91 1.850 -9.471 4.708 1.00 0.00 C ATOM 1380 CG LEU A 91 3.311 -9.037 4.844 1.00 0.00 C ATOM 1381 CD1 LEU A 91 3.486 -7.571 4.443 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.836 -9.312 6.254 1.00 0.00 C ATOM 0 H LEU A 91 0.094 -11.389 3.510 1.00 0.00 H new ATOM 0 HA LEU A 91 1.280 -8.752 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.220 -8.701 5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.705 -10.379 5.293 1.00 0.00 H new ATOM 0 HG LEU A 91 3.910 -9.633 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.533 -7.287 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.177 -7.438 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.873 -6.942 5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.876 -8.994 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.239 -8.759 6.979 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.768 -10.379 6.466 1.00 0.00 H new ATOM 1394 N GLU A 92 3.187 -9.849 1.717 1.00 0.00 N ATOM 1395 CA GLU A 92 4.168 -10.501 0.867 1.00 0.00 C ATOM 1396 C GLU A 92 5.490 -9.730 0.895 1.00 0.00 C ATOM 1397 O GLU A 92 5.498 -8.510 1.052 1.00 0.00 O ATOM 1398 CB GLU A 92 3.646 -10.642 -0.564 1.00 0.00 C ATOM 1399 CG GLU A 92 2.487 -11.639 -0.629 1.00 0.00 C ATOM 1400 CD GLU A 92 1.937 -11.749 -2.052 1.00 0.00 C ATOM 1401 OE1 GLU A 92 1.446 -10.714 -2.552 1.00 0.00 O ATOM 1402 OE2 GLU A 92 2.021 -12.866 -2.608 1.00 0.00 O ATOM 0 H GLU A 92 3.222 -8.830 1.704 1.00 0.00 H new ATOM 0 HA GLU A 92 4.346 -11.504 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.316 -9.671 -0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.453 -10.973 -1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.825 -12.618 -0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.693 -11.324 0.048 1.00 0.00 H new ATOM 1409 N GLN A 93 6.575 -10.474 0.739 1.00 0.00 N ATOM 1410 CA GLN A 93 7.899 -9.876 0.744 1.00 0.00 C ATOM 1411 C GLN A 93 8.359 -9.593 -0.687 1.00 0.00 C ATOM 1412 O GLN A 93 8.072 -10.367 -1.600 1.00 0.00 O ATOM 1413 CB GLN A 93 8.902 -10.771 1.476 1.00 0.00 C ATOM 1414 CG GLN A 93 9.158 -12.061 0.694 1.00 0.00 C ATOM 1415 CD GLN A 93 8.140 -13.140 1.066 1.00 0.00 C ATOM 1416 OE1 GLN A 93 7.615 -13.181 2.167 1.00 0.00 O ATOM 1417 NE2 GLN A 93 7.890 -14.008 0.090 1.00 0.00 N ATOM 0 H GLN A 93 6.564 -11.486 0.608 1.00 0.00 H new ATOM 0 HA GLN A 93 7.847 -8.929 1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.840 -10.234 1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 93 8.522 -11.013 2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.104 -11.859 -0.376 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.166 -12.421 0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.365 -13.916 -0.808 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.224 -14.766 0.240 1.00 0.00 H new ATOM 1426 N MET A 94 9.066 -8.483 -0.839 1.00 0.00 N ATOM 1427 CA MET A 94 9.568 -8.088 -2.144 1.00 0.00 C ATOM 1428 C MET A 94 11.093 -8.198 -2.201 1.00 0.00 C ATOM 1429 O MET A 94 11.773 -7.971 -1.201 1.00 0.00 O ATOM 1430 CB MET A 94 9.149 -6.646 -2.439 1.00 0.00 C ATOM 1431 CG MET A 94 7.751 -6.359 -1.887 1.00 0.00 C ATOM 1432 SD MET A 94 6.648 -7.704 -2.287 1.00 0.00 S ATOM 1433 CE MET A 94 6.377 -7.378 -4.020 1.00 0.00 C ATOM 0 H MET A 94 9.303 -7.845 -0.080 1.00 0.00 H new ATOM 0 HA MET A 94 9.145 -8.758 -2.892 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.868 -5.957 -1.996 1.00 0.00 H new ATOM 0 HB3 MET A 94 9.162 -6.472 -3.515 1.00 0.00 H new ATOM 0 HG2 MET A 94 7.798 -6.226 -0.806 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.370 -5.428 -2.307 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.663 -8.099 -4.419 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.982 -6.370 -4.143 1.00 0.00 H new ATOM 0 HE3 MET A 94 7.320 -7.466 -4.559 1.00 0.00 H new ATOM 1443 N PRO A 95 11.600 -8.555 -3.411 1.00 0.00 N ATOM 1444 CA PRO A 95 13.032 -8.697 -3.611 1.00 0.00 C ATOM 1445 C PRO A 95 13.713 -7.329 -3.690 1.00 0.00 C ATOM 1446 O PRO A 95 14.613 -7.034 -2.905 1.00 0.00 O ATOM 1447 CB PRO A 95 13.172 -9.506 -4.891 1.00 0.00 C ATOM 1448 CG PRO A 95 11.836 -9.388 -5.606 1.00 0.00 C ATOM 1449 CD PRO A 95 10.825 -8.831 -4.618 1.00 0.00 C ATOM 0 HA PRO A 95 13.525 -9.202 -2.780 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.982 -9.120 -5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 95 13.407 -10.547 -4.671 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.924 -8.733 -6.473 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.513 -10.362 -5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.354 -7.926 -5.001 1.00 0.00 H new ATOM 0 HD3 PRO A 95 10.027 -9.547 -4.421 1.00 0.00 H new ATOM 1457 N SER A 96 13.258 -6.532 -4.646 1.00 0.00 N ATOM 1458 CA SER A 96 13.813 -5.203 -4.838 1.00 0.00 C ATOM 1459 C SER A 96 12.774 -4.143 -4.464 1.00 0.00 C ATOM 1460 O SER A 96 11.573 -4.402 -4.515 1.00 0.00 O ATOM 1461 CB SER A 96 14.278 -5.003 -6.281 1.00 0.00 C ATOM 1462 OG SER A 96 15.424 -4.160 -6.361 1.00 0.00 O ATOM 0 H SER A 96 12.512 -6.781 -5.295 1.00 0.00 H new ATOM 0 HA SER A 96 14.681 -5.098 -4.187 1.00 0.00 H new ATOM 0 HB2 SER A 96 14.509 -5.971 -6.725 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.467 -4.569 -6.866 1.00 0.00 H new ATOM 0 HG SER A 96 15.691 -4.059 -7.299 1.00 0.00 H new ATOM 1468 N LYS A 97 13.275 -2.973 -4.097 1.00 0.00 N ATOM 1469 CA LYS A 97 12.405 -1.873 -3.716 1.00 0.00 C ATOM 1470 C LYS A 97 11.362 -1.649 -4.812 1.00 0.00 C ATOM 1471 O LYS A 97 10.169 -1.551 -4.528 1.00 0.00 O ATOM 1472 CB LYS A 97 13.230 -0.627 -3.387 1.00 0.00 C ATOM 1473 CG LYS A 97 12.323 0.580 -3.138 1.00 0.00 C ATOM 1474 CD LYS A 97 12.797 1.796 -3.938 1.00 0.00 C ATOM 1475 CE LYS A 97 12.986 3.011 -3.027 1.00 0.00 C ATOM 1476 NZ LYS A 97 14.190 3.774 -3.425 1.00 0.00 N ATOM 0 H LYS A 97 14.272 -2.762 -4.055 1.00 0.00 H new ATOM 0 HA LYS A 97 11.860 -2.117 -2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.843 -0.814 -2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.912 -0.411 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.299 0.333 -3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.315 0.820 -2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.737 1.563 -4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.070 2.030 -4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.107 3.653 -3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.080 2.685 -1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.304 4.595 -2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.028 3.163 -3.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.085 4.101 -4.407 1.00 0.00 H new ATOM 1490 N GLU A 98 11.849 -1.575 -6.042 1.00 0.00 N ATOM 1491 CA GLU A 98 10.974 -1.364 -7.182 1.00 0.00 C ATOM 1492 C GLU A 98 9.931 -2.481 -7.264 1.00 0.00 C ATOM 1493 O GLU A 98 8.731 -2.214 -7.289 1.00 0.00 O ATOM 1494 CB GLU A 98 11.778 -1.269 -8.480 1.00 0.00 C ATOM 1495 CG GLU A 98 12.710 -0.055 -8.460 1.00 0.00 C ATOM 1496 CD GLU A 98 12.574 0.762 -9.747 1.00 0.00 C ATOM 1497 OE1 GLU A 98 11.420 0.915 -10.203 1.00 0.00 O ATOM 1498 OE2 GLU A 98 13.627 1.214 -10.246 1.00 0.00 O ATOM 0 H GLU A 98 12.839 -1.657 -6.274 1.00 0.00 H new ATOM 0 HA GLU A 98 10.453 -0.416 -7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.363 -2.179 -8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.098 -1.196 -9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.477 0.573 -7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.742 -0.386 -8.342 1.00 0.00 H new ATOM 1505 N ASP A 99 10.427 -3.709 -7.304 1.00 0.00 N ATOM 1506 CA ASP A 99 9.554 -4.867 -7.383 1.00 0.00 C ATOM 1507 C ASP A 99 8.426 -4.720 -6.359 1.00 0.00 C ATOM 1508 O ASP A 99 7.342 -5.273 -6.541 1.00 0.00 O ATOM 1509 CB ASP A 99 10.316 -6.155 -7.066 1.00 0.00 C ATOM 1510 CG ASP A 99 11.452 -6.489 -8.035 1.00 0.00 C ATOM 1511 OD1 ASP A 99 11.188 -6.443 -9.256 1.00 0.00 O ATOM 1512 OD2 ASP A 99 12.558 -6.783 -7.533 1.00 0.00 O ATOM 0 H ASP A 99 11.423 -3.927 -7.283 1.00 0.00 H new ATOM 0 HA ASP A 99 9.159 -4.923 -8.397 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.728 -6.077 -6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.609 -6.985 -7.058 1.00 0.00 H new ATOM 1517 N ALA A 100 8.721 -3.974 -5.305 1.00 0.00 N ATOM 1518 CA ALA A 100 7.746 -3.748 -4.252 1.00 0.00 C ATOM 1519 C ALA A 100 6.798 -2.623 -4.673 1.00 0.00 C ATOM 1520 O ALA A 100 5.580 -2.760 -4.565 1.00 0.00 O ATOM 1521 CB ALA A 100 8.472 -3.437 -2.941 1.00 0.00 C ATOM 0 H ALA A 100 9.622 -3.518 -5.158 1.00 0.00 H new ATOM 0 HA ALA A 100 7.145 -4.642 -4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.740 -3.267 -2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.110 -4.278 -2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.084 -2.544 -3.067 1.00 0.00 H new ATOM 1527 N ILE A 101 7.392 -1.537 -5.145 1.00 0.00 N ATOM 1528 CA ILE A 101 6.615 -0.390 -5.583 1.00 0.00 C ATOM 1529 C ILE A 101 5.703 -0.808 -6.738 1.00 0.00 C ATOM 1530 O ILE A 101 4.486 -0.643 -6.663 1.00 0.00 O ATOM 1531 CB ILE A 101 7.537 0.783 -5.921 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.186 1.353 -4.658 1.00 0.00 C ATOM 1533 CG2 ILE A 101 6.790 1.857 -6.715 1.00 0.00 C ATOM 1534 CD1 ILE A 101 9.696 1.519 -4.845 1.00 0.00 C ATOM 0 H ILE A 101 8.402 -1.427 -5.234 1.00 0.00 H new ATOM 0 HA ILE A 101 5.969 -0.037 -4.779 1.00 0.00 H new ATOM 0 HB ILE A 101 8.341 0.412 -6.557 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.738 2.317 -4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.991 0.691 -3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.468 2.679 -6.942 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.416 1.428 -7.645 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.953 2.230 -6.125 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.133 1.926 -3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.145 0.549 -5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 101 9.887 2.200 -5.674 1.00 0.00 H new ATOM 1546 N GLU A 102 6.326 -1.341 -7.779 1.00 0.00 N ATOM 1547 CA GLU A 102 5.585 -1.784 -8.947 1.00 0.00 C ATOM 1548 C GLU A 102 4.270 -2.443 -8.525 1.00 0.00 C ATOM 1549 O GLU A 102 3.200 -2.053 -8.988 1.00 0.00 O ATOM 1550 CB GLU A 102 6.426 -2.736 -9.801 1.00 0.00 C ATOM 1551 CG GLU A 102 7.787 -2.120 -10.130 1.00 0.00 C ATOM 1552 CD GLU A 102 8.187 -2.416 -11.577 1.00 0.00 C ATOM 1553 OE1 GLU A 102 7.921 -3.554 -12.018 1.00 0.00 O ATOM 1554 OE2 GLU A 102 8.750 -1.496 -12.209 1.00 0.00 O ATOM 0 H GLU A 102 7.335 -1.476 -7.838 1.00 0.00 H new ATOM 0 HA GLU A 102 5.351 -0.911 -9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.568 -3.677 -9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.895 -2.967 -10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.750 -1.042 -9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.543 -2.516 -9.452 1.00 0.00 H new ATOM 1561 N HIS A 103 4.395 -3.430 -7.649 1.00 0.00 N ATOM 1562 CA HIS A 103 3.230 -4.146 -7.159 1.00 0.00 C ATOM 1563 C HIS A 103 2.278 -3.167 -6.468 1.00 0.00 C ATOM 1564 O HIS A 103 1.088 -3.130 -6.777 1.00 0.00 O ATOM 1565 CB HIS A 103 3.647 -5.306 -6.253 1.00 0.00 C ATOM 1566 CG HIS A 103 2.610 -6.397 -6.135 1.00 0.00 C ATOM 1567 ND1 HIS A 103 1.868 -6.846 -7.214 1.00 0.00 N ATOM 1568 CD2 HIS A 103 2.199 -7.124 -5.056 1.00 0.00 C ATOM 1569 CE1 HIS A 103 1.051 -7.800 -6.791 1.00 0.00 C ATOM 1570 NE2 HIS A 103 1.257 -7.970 -5.454 1.00 0.00 N ATOM 0 H HIS A 103 5.285 -3.750 -7.267 1.00 0.00 H new ATOM 0 HA HIS A 103 2.693 -4.590 -7.997 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.572 -5.738 -6.636 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.865 -4.917 -5.258 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.576 -7.027 -4.049 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.346 -8.347 -7.399 1.00 0.00 H new ATOM 0 HE2 HIS A 103 0.768 -8.637 -4.858 1.00 0.00 H new ATOM 1578 N PHE A 104 2.839 -2.398 -5.547 1.00 0.00 N ATOM 1579 CA PHE A 104 2.055 -1.421 -4.810 1.00 0.00 C ATOM 1580 C PHE A 104 1.397 -0.417 -5.759 1.00 0.00 C ATOM 1581 O PHE A 104 0.318 0.099 -5.472 1.00 0.00 O ATOM 1582 CB PHE A 104 3.022 -0.674 -3.889 1.00 0.00 C ATOM 1583 CG PHE A 104 2.360 0.415 -3.042 1.00 0.00 C ATOM 1584 CD1 PHE A 104 2.264 1.684 -3.521 1.00 0.00 C ATOM 1585 CD2 PHE A 104 1.867 0.113 -1.811 1.00 0.00 C ATOM 1586 CE1 PHE A 104 1.649 2.694 -2.735 1.00 0.00 C ATOM 1587 CE2 PHE A 104 1.252 1.124 -1.025 1.00 0.00 C ATOM 1588 CZ PHE A 104 1.156 2.393 -1.504 1.00 0.00 C ATOM 0 H PHE A 104 3.827 -2.431 -5.294 1.00 0.00 H new ATOM 0 HA PHE A 104 1.266 -1.924 -4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.504 -1.392 -3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.808 -0.222 -4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.655 1.924 -4.499 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.943 -0.895 -1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.573 3.702 -3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 104 0.861 0.885 -0.047 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.688 3.162 -0.907 1.00 0.00 H new ATOM 1598 N MET A 105 2.074 -0.171 -6.871 1.00 0.00 N ATOM 1599 CA MET A 105 1.568 0.761 -7.864 1.00 0.00 C ATOM 1600 C MET A 105 0.495 0.106 -8.735 1.00 0.00 C ATOM 1601 O MET A 105 -0.476 0.753 -9.122 1.00 0.00 O ATOM 1602 CB MET A 105 2.721 1.241 -8.748 1.00 0.00 C ATOM 1603 CG MET A 105 3.400 2.472 -8.144 1.00 0.00 C ATOM 1604 SD MET A 105 3.848 3.618 -9.437 1.00 0.00 S ATOM 1605 CE MET A 105 4.325 2.469 -10.718 1.00 0.00 C ATOM 0 H MET A 105 2.969 -0.601 -7.106 1.00 0.00 H new ATOM 0 HA MET A 105 1.120 1.608 -7.345 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.451 0.440 -8.866 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.346 1.480 -9.743 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.729 2.956 -7.434 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.289 2.172 -7.589 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.024 2.954 -11.399 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.802 1.599 -10.267 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.440 2.152 -11.271 1.00 0.00 H new ATOM 1615 N LYS A 106 0.707 -1.171 -9.018 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.230 -1.922 -9.837 1.00 0.00 C ATOM 1617 C LYS A 106 -1.439 -2.318 -8.987 1.00 0.00 C ATOM 1618 O LYS A 106 -2.582 -2.140 -9.405 1.00 0.00 O ATOM 1619 CB LYS A 106 0.470 -3.109 -10.502 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.480 -4.301 -10.635 1.00 0.00 C ATOM 1621 CD LYS A 106 0.249 -5.521 -11.202 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.194 -5.806 -12.639 1.00 0.00 C ATOM 1623 NZ LYS A 106 0.684 -6.823 -13.260 1.00 0.00 N ATOM 0 H LYS A 106 1.514 -1.705 -8.695 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.602 -1.304 -10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.833 -2.817 -11.487 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.342 -3.398 -9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.902 -4.545 -9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.313 -4.036 -11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.325 -5.350 -11.177 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.050 -6.391 -10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.226 -6.156 -12.645 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -0.166 -4.887 -13.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.370 -7.005 -14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.664 -6.475 -13.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.636 -7.705 -12.711 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.145 -2.849 -7.809 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.194 -3.272 -6.896 1.00 0.00 C ATOM 1639 C LEU A 107 -3.221 -2.147 -6.750 1.00 0.00 C ATOM 1640 O LEU A 107 -4.396 -2.331 -7.062 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.593 -3.733 -5.567 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.302 -5.231 -5.446 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -0.670 -5.559 -4.092 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -2.563 -6.057 -5.706 1.00 0.00 C ATOM 0 H LEU A 107 -0.196 -2.996 -7.466 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.723 -4.137 -7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.663 -3.188 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.275 -3.449 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.577 -5.501 -6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.473 -6.629 -4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.266 -5.012 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.352 -5.270 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.329 -7.118 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.329 -5.790 -4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.931 -5.853 -6.712 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.740 -1.008 -6.274 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.602 0.146 -6.082 1.00 0.00 C ATOM 1658 C TYR A 108 -4.193 0.616 -7.413 1.00 0.00 C ATOM 1659 O TYR A 108 -5.089 1.458 -7.435 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.707 1.251 -5.516 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.458 2.533 -5.152 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -4.034 2.665 -3.905 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.558 3.558 -6.070 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.740 3.872 -3.562 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -4.264 4.766 -5.728 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.820 4.863 -4.490 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.487 6.003 -4.167 1.00 0.00 O ATOM 0 H TYR A 108 -1.765 -0.860 -6.016 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.432 -0.100 -5.420 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.200 0.874 -4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.935 1.489 -6.247 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.955 1.863 -3.186 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.107 3.455 -7.046 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.196 3.988 -2.590 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.350 5.576 -6.438 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.462 6.623 -4.926 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.667 0.052 -8.490 1.00 0.00 N ATOM 1678 CA GLU A 109 -4.131 0.403 -9.821 1.00 0.00 C ATOM 1679 C GLU A 109 -5.157 -0.620 -10.312 1.00 0.00 C ATOM 1680 O GLU A 109 -5.934 -0.337 -11.223 1.00 0.00 O ATOM 1681 CB GLU A 109 -2.959 0.516 -10.798 1.00 0.00 C ATOM 1682 CG GLU A 109 -3.456 0.627 -12.241 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.301 0.925 -13.198 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -1.253 0.260 -13.047 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -2.491 1.811 -14.059 1.00 0.00 O ATOM 0 H GLU A 109 -2.924 -0.646 -8.468 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.615 1.379 -9.771 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.356 1.390 -10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.313 -0.356 -10.698 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.944 -0.302 -12.533 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.204 1.416 -12.312 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.127 -1.788 -9.687 1.00 0.00 N ATOM 1693 CA GLU A 110 -6.045 -2.855 -10.050 1.00 0.00 C ATOM 1694 C GLU A 110 -7.423 -2.600 -9.435 1.00 0.00 C ATOM 1695 O GLU A 110 -8.443 -2.971 -10.015 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.497 -4.218 -9.623 1.00 0.00 C ATOM 1697 CG GLU A 110 -6.061 -4.634 -8.262 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.568 -6.027 -7.867 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -4.412 -6.343 -8.224 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -6.358 -6.746 -7.217 1.00 0.00 O ATOM 0 H GLU A 110 -4.482 -2.019 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.149 -2.866 -11.135 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.753 -4.968 -10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.409 -4.177 -9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.762 -3.910 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.150 -4.627 -8.298 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.409 -1.970 -8.270 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.645 -1.662 -7.571 1.00 0.00 C ATOM 1709 C LYS A 111 -9.303 -0.444 -8.221 1.00 0.00 C ATOM 1710 O LYS A 111 -10.360 -0.561 -8.840 1.00 0.00 O ATOM 1711 CB LYS A 111 -8.385 -1.494 -6.073 1.00 0.00 C ATOM 1712 CG LYS A 111 -7.965 -2.820 -5.437 1.00 0.00 C ATOM 1713 CD LYS A 111 -9.024 -3.900 -5.670 1.00 0.00 C ATOM 1714 CE LYS A 111 -8.820 -5.082 -4.720 1.00 0.00 C ATOM 1715 NZ LYS A 111 -10.095 -5.444 -4.062 1.00 0.00 N ATOM 0 H LYS A 111 -6.561 -1.664 -7.792 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.349 -2.490 -7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.605 -0.749 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.285 -1.121 -5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.012 -3.143 -5.857 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.811 -2.681 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.018 -3.478 -5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.975 -4.246 -6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.433 -5.938 -5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.075 -4.826 -3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.930 -5.597 -3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.782 -4.674 -4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.470 -6.316 -4.487 1.00 0.00 H new ATOM 1729 N THR A 112 -8.652 0.699 -8.060 1.00 0.00 N ATOM 1730 CA THR A 112 -9.161 1.937 -8.623 1.00 0.00 C ATOM 1731 C THR A 112 -9.181 1.859 -10.151 1.00 0.00 C ATOM 1732 O THR A 112 -10.014 2.492 -10.798 1.00 0.00 O ATOM 1733 CB THR A 112 -8.309 3.088 -8.084 1.00 0.00 C ATOM 1734 OG1 THR A 112 -7.049 2.918 -8.729 1.00 0.00 O ATOM 1735 CG2 THR A 112 -7.989 2.932 -6.596 1.00 0.00 C ATOM 0 H THR A 112 -7.775 0.793 -7.547 1.00 0.00 H new ATOM 0 HA THR A 112 -10.195 2.112 -8.324 1.00 0.00 H new ATOM 0 HB THR A 112 -8.829 4.032 -8.247 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.458 2.385 -8.157 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.383 3.775 -6.264 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.917 2.906 -6.025 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.439 2.004 -6.437 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.253 1.077 -10.684 1.00 0.00 N ATOM 1744 CA GLY A 113 -8.153 0.908 -12.124 1.00 0.00 C ATOM 1745 C GLY A 113 -7.239 1.970 -12.738 1.00 0.00 C ATOM 1746 O GLY A 113 -6.747 1.801 -13.853 1.00 0.00 O ATOM 0 H GLY A 113 -7.564 0.554 -10.144 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.766 -0.085 -12.351 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.145 0.974 -12.571 1.00 0.00 H new ATOM 1750 N ASN A 114 -7.039 3.041 -11.984 1.00 0.00 N ATOM 1751 CA ASN A 114 -6.192 4.130 -12.440 1.00 0.00 C ATOM 1752 C ASN A 114 -4.777 3.935 -11.893 1.00 0.00 C ATOM 1753 O ASN A 114 -4.576 3.190 -10.934 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.711 5.479 -11.938 1.00 0.00 C ATOM 1755 CG ASN A 114 -8.202 5.402 -11.604 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -8.966 5.013 -12.621 1.00 0.00 O flip ATOM 1757 ND2 ASN A 114 -8.631 5.679 -10.496 1.00 0.00 N flip ATOM 0 H ASN A 114 -7.449 3.178 -11.060 1.00 0.00 H new ATOM 0 HA ASN A 114 -6.195 4.125 -13.530 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -6.151 5.782 -11.053 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -6.544 6.243 -12.697 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -7.989 5.971 -9.759 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.631 5.618 -10.307 1.00 0.00 H new ATOM 1764 N ALA A 115 -3.833 4.616 -12.525 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.442 4.526 -12.113 1.00 0.00 C ATOM 1766 C ALA A 115 -2.250 5.303 -10.808 1.00 0.00 C ATOM 1767 O ALA A 115 -2.838 6.368 -10.624 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.542 5.043 -13.237 1.00 0.00 C ATOM 0 H ALA A 115 -4.004 5.233 -13.319 1.00 0.00 H new ATOM 0 HA ALA A 115 -2.164 3.489 -11.924 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.499 4.976 -12.928 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.695 4.440 -14.132 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.790 6.082 -13.453 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.425 4.740 -9.938 1.00 0.00 N ATOM 1775 CA TRP A 116 -1.149 5.367 -8.656 1.00 0.00 C ATOM 1776 C TRP A 116 -0.555 6.751 -8.925 1.00 0.00 C ATOM 1777 O TRP A 116 -0.971 7.737 -8.318 1.00 0.00 O ATOM 1778 CB TRP A 116 -0.240 4.483 -7.799 1.00 0.00 C ATOM 1779 CG TRP A 116 0.630 5.261 -6.810 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.875 5.723 -6.992 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.269 5.651 -5.468 1.00 0.00 C ATOM 1782 NE1 TRP A 116 2.340 6.379 -5.871 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.332 6.334 -4.915 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -0.918 5.433 -4.746 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.316 6.856 -3.616 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 -0.918 5.961 -3.449 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.144 6.651 -2.877 1.00 0.00 C ATOM 0 H TRP A 116 -0.939 3.857 -10.095 1.00 0.00 H new ATOM 0 HA TRP A 116 -2.066 5.488 -8.080 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.856 3.774 -7.246 1.00 0.00 H new ATOM 0 HB3 TRP A 116 0.406 3.900 -8.455 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.443 5.597 -7.902 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.255 6.817 -5.763 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.762 4.901 -5.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.162 7.388 -3.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -1.806 5.822 -2.851 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.066 7.027 -1.868 1.00 0.00 H new ATOM 1798 N HIS A 117 0.406 6.781 -9.836 1.00 0.00 N ATOM 1799 CA HIS A 117 1.061 8.029 -10.192 1.00 0.00 C ATOM 1800 C HIS A 117 0.477 8.558 -11.504 1.00 0.00 C ATOM 1801 O HIS A 117 1.191 8.692 -12.496 1.00 0.00 O ATOM 1802 CB HIS A 117 2.579 7.848 -10.249 1.00 0.00 C ATOM 1803 CG HIS A 117 3.346 8.831 -9.397 1.00 0.00 C ATOM 1804 ND1 HIS A 117 3.015 9.100 -8.081 1.00 0.00 N ATOM 1805 CD2 HIS A 117 4.432 9.604 -9.686 1.00 0.00 C ATOM 1806 CE1 HIS A 117 3.868 9.997 -7.609 1.00 0.00 C ATOM 1807 NE2 HIS A 117 4.746 10.308 -8.606 1.00 0.00 N ATOM 0 H HIS A 117 0.747 5.962 -10.339 1.00 0.00 H new ATOM 0 HA HIS A 117 0.871 8.777 -9.422 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.826 6.836 -9.930 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.908 7.945 -11.284 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.949 9.637 -10.634 1.00 0.00 H new ATOM 0 HE1 HIS A 117 3.868 10.409 -6.611 1.00 0.00 H new ATOM 0 HE2 HIS A 117 5.517 10.972 -8.533 1.00 0.00 H new ATOM 1815 N SER A 118 -0.816 8.844 -11.466 1.00 0.00 N ATOM 1816 CA SER A 118 -1.504 9.356 -12.639 1.00 0.00 C ATOM 1817 C SER A 118 -1.760 10.856 -12.483 1.00 0.00 C ATOM 1818 O SER A 118 -1.538 11.419 -11.412 1.00 0.00 O ATOM 1819 CB SER A 118 -2.822 8.614 -12.871 1.00 0.00 C ATOM 1820 OG SER A 118 -3.681 9.319 -13.764 1.00 0.00 O ATOM 0 H SER A 118 -1.405 8.731 -10.641 1.00 0.00 H new ATOM 0 HA SER A 118 -0.867 9.192 -13.508 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.614 7.623 -13.274 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.330 8.470 -11.917 1.00 0.00 H new ATOM 0 HG SER A 118 -4.464 9.646 -13.274 1.00 0.00 H new ATOM 1826 N LYS A 119 -2.223 11.461 -13.567 1.00 0.00 N ATOM 1827 CA LYS A 119 -2.511 12.885 -13.564 1.00 0.00 C ATOM 1828 C LYS A 119 -3.769 13.145 -12.733 1.00 0.00 C ATOM 1829 O LYS A 119 -3.697 13.736 -11.658 1.00 0.00 O ATOM 1830 CB LYS A 119 -2.598 13.417 -14.996 1.00 0.00 C ATOM 1831 CG LYS A 119 -1.262 14.016 -15.440 1.00 0.00 C ATOM 1832 CD LYS A 119 -1.476 15.142 -16.453 1.00 0.00 C ATOM 1833 CE LYS A 119 -0.139 15.726 -16.915 1.00 0.00 C ATOM 1834 NZ LYS A 119 0.051 15.502 -18.365 1.00 0.00 N ATOM 0 H LYS A 119 -2.406 10.991 -14.453 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.698 13.437 -13.093 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.881 12.609 -15.671 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.379 14.174 -15.060 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -0.725 14.400 -14.572 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -0.639 13.238 -15.882 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.028 14.762 -17.313 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.085 15.928 -16.006 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.108 16.794 -16.699 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.677 15.264 -16.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.963 15.904 -18.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.042 14.481 -18.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.719 15.963 -18.891 1.00 0.00 H new ATOM 1848 N ASN A 120 -4.895 12.689 -13.265 1.00 0.00 N ATOM 1849 CA ASN A 120 -6.167 12.864 -12.586 1.00 0.00 C ATOM 1850 C ASN A 120 -6.719 11.495 -12.184 1.00 0.00 C ATOM 1851 O ASN A 120 -6.185 10.464 -12.589 1.00 0.00 O ATOM 1852 CB ASN A 120 -7.192 13.537 -13.502 1.00 0.00 C ATOM 1853 CG ASN A 120 -8.007 14.583 -12.739 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -7.587 15.712 -12.542 1.00 0.00 O ATOM 1855 ND2 ASN A 120 -9.191 14.146 -12.321 1.00 0.00 N ATOM 0 H ASN A 120 -4.952 12.199 -14.158 1.00 0.00 H new ATOM 0 HA ASN A 120 -5.998 13.491 -11.711 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.680 14.010 -14.340 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.860 12.784 -13.920 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.810 14.768 -11.801 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -9.481 13.189 -12.520 1.00 0.00 H new ATOM 1862 N PHE A 121 -7.782 11.530 -11.394 1.00 0.00 N ATOM 1863 CA PHE A 121 -8.412 10.304 -10.933 1.00 0.00 C ATOM 1864 C PHE A 121 -9.851 10.202 -11.444 1.00 0.00 C ATOM 1865 O PHE A 121 -10.692 11.035 -11.111 1.00 0.00 O ATOM 1866 CB PHE A 121 -8.429 10.357 -9.404 1.00 0.00 C ATOM 1867 CG PHE A 121 -8.903 9.062 -8.742 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -8.129 7.945 -8.801 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -10.098 9.028 -8.093 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -8.569 6.743 -8.186 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -10.538 7.826 -7.478 1.00 0.00 C ATOM 1872 CZ PHE A 121 -9.765 6.709 -7.538 1.00 0.00 C ATOM 0 H PHE A 121 -8.223 12.388 -11.061 1.00 0.00 H new ATOM 0 HA PHE A 121 -7.861 9.440 -11.304 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.425 10.589 -9.048 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.077 11.174 -9.086 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.180 7.972 -9.316 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.712 9.915 -8.045 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.955 5.856 -8.233 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.487 7.799 -6.963 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.100 5.795 -7.071 1.00 0.00 H new ATOM 1882 N THR A 122 -10.089 9.173 -12.244 1.00 0.00 N ATOM 1883 CA THR A 122 -11.411 8.951 -12.804 1.00 0.00 C ATOM 1884 C THR A 122 -12.190 7.947 -11.951 1.00 0.00 C ATOM 1885 O THR A 122 -11.905 6.751 -11.977 1.00 0.00 O ATOM 1886 CB THR A 122 -11.240 8.508 -14.258 1.00 0.00 C ATOM 1887 OG1 THR A 122 -10.836 9.694 -14.937 1.00 0.00 O ATOM 1888 CG2 THR A 122 -12.570 8.136 -14.917 1.00 0.00 C ATOM 0 H THR A 122 -9.389 8.484 -12.518 1.00 0.00 H new ATOM 0 HA THR A 122 -12.003 9.866 -12.795 1.00 0.00 H new ATOM 0 HB THR A 122 -10.563 7.655 -14.300 1.00 0.00 H new ATOM 0 HG1 THR A 122 -10.701 9.497 -15.887 1.00 0.00 H new ATOM 0 HG21 THR A 122 -12.392 7.829 -15.948 1.00 0.00 H new ATOM 0 HG22 THR A 122 -13.031 7.315 -14.368 1.00 0.00 H new ATOM 0 HG23 THR A 122 -13.236 8.999 -14.905 1.00 0.00 H new ATOM 1896 N LYS A 123 -13.158 8.472 -11.214 1.00 0.00 N ATOM 1897 CA LYS A 123 -13.980 7.637 -10.354 1.00 0.00 C ATOM 1898 C LYS A 123 -14.859 6.732 -11.219 1.00 0.00 C ATOM 1899 O LYS A 123 -15.952 7.125 -11.624 1.00 0.00 O ATOM 1900 CB LYS A 123 -14.769 8.499 -9.366 1.00 0.00 C ATOM 1901 CG LYS A 123 -14.811 7.848 -7.982 1.00 0.00 C ATOM 1902 CD LYS A 123 -15.695 6.599 -7.990 1.00 0.00 C ATOM 1903 CE LYS A 123 -16.535 6.515 -6.714 1.00 0.00 C ATOM 1904 NZ LYS A 123 -17.066 5.145 -6.533 1.00 0.00 N ATOM 0 H LYS A 123 -13.392 9.465 -11.195 1.00 0.00 H new ATOM 0 HA LYS A 123 -13.354 6.986 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -14.312 9.486 -9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -15.784 8.644 -9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.801 7.581 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -15.191 8.562 -7.252 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -16.350 6.618 -8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -15.072 5.709 -8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -15.928 6.793 -5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -17.359 7.227 -6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -17.634 5.105 -5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -17.662 4.893 -7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -16.276 4.473 -6.462 1.00 0.00 H new ATOM 1918 N TYR A 124 -14.349 5.536 -11.477 1.00 0.00 N ATOM 1919 CA TYR A 124 -15.074 4.572 -12.287 1.00 0.00 C ATOM 1920 C TYR A 124 -16.102 3.812 -11.445 1.00 0.00 C ATOM 1921 O TYR A 124 -16.076 3.880 -10.217 1.00 0.00 O ATOM 1922 CB TYR A 124 -14.027 3.585 -12.805 1.00 0.00 C ATOM 1923 CG TYR A 124 -13.437 3.961 -14.166 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -14.271 4.167 -15.246 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -12.071 4.094 -14.313 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -13.716 4.521 -16.527 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -11.516 4.449 -15.594 1.00 0.00 C ATOM 1928 CZ TYR A 124 -12.366 4.644 -16.637 1.00 0.00 C ATOM 1929 OH TYR A 124 -11.842 4.979 -17.847 1.00 0.00 O ATOM 0 H TYR A 124 -13.442 5.213 -11.139 1.00 0.00 H new ATOM 0 HA TYR A 124 -15.611 5.073 -13.093 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.219 3.513 -12.077 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.479 2.596 -12.877 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -15.340 4.063 -15.131 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -11.418 3.932 -13.468 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -14.357 4.685 -17.381 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -10.449 4.558 -15.723 1.00 0.00 H new ATOM 0 HH TYR A 124 -10.866 5.032 -17.777 1.00 0.00 H new ATOM 1939 N PRO A 125 -17.005 3.087 -12.158 1.00 0.00 N ATOM 1940 CA PRO A 125 -18.039 2.315 -11.490 1.00 0.00 C ATOM 1941 C PRO A 125 -17.458 1.044 -10.867 1.00 0.00 C ATOM 1942 O PRO A 125 -16.874 0.216 -11.565 1.00 0.00 O ATOM 1943 CB PRO A 125 -19.073 2.029 -12.566 1.00 0.00 C ATOM 1944 CG PRO A 125 -18.365 2.247 -13.894 1.00 0.00 C ATOM 1945 CD PRO A 125 -17.065 2.983 -13.613 1.00 0.00 C ATOM 0 HA PRO A 125 -18.490 2.850 -10.655 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.448 1.008 -12.486 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -19.932 2.693 -12.468 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -18.166 1.293 -14.382 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -18.993 2.826 -14.571 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.208 2.437 -14.007 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -17.058 3.967 -14.081 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.638 0.928 -9.559 1.00 0.00 N ATOM 1954 CA LYS A 126 -17.139 -0.228 -8.834 1.00 0.00 C ATOM 1955 C LYS A 126 -15.694 0.030 -8.404 1.00 0.00 C ATOM 1956 O LYS A 126 -15.300 -0.327 -7.295 1.00 0.00 O ATOM 1957 CB LYS A 126 -17.316 -1.499 -9.667 1.00 0.00 C ATOM 1958 CG LYS A 126 -18.698 -1.539 -10.321 1.00 0.00 C ATOM 1959 CD LYS A 126 -19.134 -2.980 -10.596 1.00 0.00 C ATOM 1960 CE LYS A 126 -18.423 -3.542 -11.829 1.00 0.00 C ATOM 1961 NZ LYS A 126 -18.543 -5.017 -11.868 1.00 0.00 N ATOM 0 H LYS A 126 -18.123 1.616 -8.983 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.718 -0.387 -7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.545 -1.544 -10.436 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -17.185 -2.375 -9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -19.426 -1.053 -9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.679 -0.977 -11.255 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.913 -3.602 -9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -20.213 -3.015 -10.746 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -18.855 -3.112 -12.733 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -17.371 -3.257 -11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -18.055 -5.383 -12.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -18.110 -5.423 -11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -19.548 -5.283 -11.907 1.00 0.00 H new ATOM 1975 N LYS A 127 -14.944 0.648 -9.305 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.550 0.958 -9.032 1.00 0.00 C ATOM 1977 C LYS A 127 -13.438 1.615 -7.655 1.00 0.00 C ATOM 1978 O LYS A 127 -14.232 2.491 -7.314 1.00 0.00 O ATOM 1979 CB LYS A 127 -12.957 1.799 -10.164 1.00 0.00 C ATOM 1980 CG LYS A 127 -12.842 0.981 -11.452 1.00 0.00 C ATOM 1981 CD LYS A 127 -11.773 -0.105 -11.318 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.569 -0.840 -12.644 1.00 0.00 C ATOM 1983 NZ LYS A 127 -12.403 -2.061 -12.695 1.00 0.00 N ATOM 0 H LYS A 127 -15.275 0.942 -10.224 1.00 0.00 H new ATOM 0 HA LYS A 127 -12.956 0.045 -8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.584 2.673 -10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -11.973 2.165 -9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.804 0.523 -11.683 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.594 1.640 -12.284 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.832 0.343 -10.998 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.066 -0.816 -10.545 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.826 -0.182 -13.474 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.518 -1.105 -12.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -12.252 -2.547 -13.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -12.139 -2.695 -11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.406 -1.800 -12.605 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.447 1.166 -6.899 1.00 0.00 N ATOM 1998 CA PHE A 128 -12.221 1.699 -5.567 1.00 0.00 C ATOM 1999 C PHE A 128 -11.618 3.103 -5.633 1.00 0.00 C ATOM 2000 O PHE A 128 -11.046 3.490 -6.651 1.00 0.00 O ATOM 2001 CB PHE A 128 -11.229 0.763 -4.873 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.816 -0.600 -4.499 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -11.822 -1.611 -5.409 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -12.332 -0.800 -3.257 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -12.367 -2.875 -5.062 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -12.877 -2.065 -2.910 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.883 -3.075 -3.820 1.00 0.00 C ATOM 0 H PHE A 128 -11.791 0.439 -7.184 1.00 0.00 H new ATOM 0 HA PHE A 128 -13.166 1.764 -5.027 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -10.371 0.610 -5.527 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -10.859 1.248 -3.970 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -11.412 -1.452 -6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -12.327 0.003 -2.535 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -12.372 -3.678 -5.784 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -13.287 -2.224 -1.923 1.00 0.00 H new ATOM 0 HZ PHE A 128 -13.298 -4.037 -3.556 1.00 0.00 H new ATOM 2017 N TYR A 129 -11.766 3.829 -4.534 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.243 5.182 -4.454 1.00 0.00 C ATOM 2019 C TYR A 129 -10.651 5.460 -3.071 1.00 0.00 C ATOM 2020 O TYR A 129 -10.916 4.728 -2.119 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.438 6.110 -4.681 1.00 0.00 C ATOM 2022 CG TYR A 129 -13.485 6.059 -3.566 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -13.191 6.572 -2.319 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -14.724 5.500 -3.807 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -14.176 6.525 -1.270 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -15.709 5.453 -2.758 1.00 0.00 C ATOM 2027 CZ TYR A 129 -15.386 5.967 -1.541 1.00 0.00 C ATOM 2028 OH TYR A 129 -16.317 5.922 -0.550 1.00 0.00 O ATOM 0 H TYR A 129 -12.241 3.505 -3.691 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.452 5.332 -5.189 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -12.077 7.134 -4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.915 5.848 -5.626 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -12.222 7.009 -2.130 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -14.954 5.098 -4.783 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -13.959 6.924 -0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.682 5.019 -2.934 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.133 5.497 -0.887 1.00 0.00 H new ATOM 2038 N PRO A 130 -9.839 6.549 -3.003 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.207 6.934 -1.752 1.00 0.00 C ATOM 2040 C PRO A 130 -10.217 7.584 -0.804 1.00 0.00 C ATOM 2041 O PRO A 130 -10.785 8.629 -1.119 1.00 0.00 O ATOM 2042 CB PRO A 130 -8.080 7.871 -2.153 1.00 0.00 C ATOM 2043 CG PRO A 130 -8.410 8.342 -3.560 1.00 0.00 C ATOM 2044 CD PRO A 130 -9.502 7.440 -4.109 1.00 0.00 C ATOM 0 HA PRO A 130 -8.819 6.080 -1.197 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -8.010 8.714 -1.465 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.118 7.358 -2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -8.743 9.380 -3.547 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.525 8.299 -4.194 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.369 8.018 -4.430 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.154 6.880 -4.977 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.410 6.939 0.337 1.00 0.00 N ATOM 2053 CA LEU A 131 -11.342 7.442 1.332 1.00 0.00 C ATOM 2054 C LEU A 131 -10.840 8.787 1.860 1.00 0.00 C ATOM 2055 O LEU A 131 -11.471 9.819 1.638 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.571 6.398 2.427 1.00 0.00 C ATOM 2057 CG LEU A 131 -12.188 5.074 1.972 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -12.129 4.029 3.089 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.614 5.281 1.457 1.00 0.00 C ATOM 0 H LEU A 131 -9.937 6.073 0.595 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.319 7.620 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.615 6.185 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.217 6.835 3.188 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.597 4.691 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.574 3.097 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.090 3.853 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -12.681 4.392 3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -14.029 4.324 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -14.231 5.698 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -13.599 5.968 0.611 1.00 0.00 H new ATOM 2071 N GLU A 132 -9.710 8.732 2.549 1.00 0.00 N ATOM 2072 CA GLU A 132 -9.117 9.933 3.111 1.00 0.00 C ATOM 2073 C GLU A 132 -8.331 10.689 2.038 1.00 0.00 C ATOM 2074 O GLU A 132 -7.459 10.119 1.385 1.00 0.00 O ATOM 2075 CB GLU A 132 -8.225 9.596 4.308 1.00 0.00 C ATOM 2076 CG GLU A 132 -8.083 10.800 5.242 1.00 0.00 C ATOM 2077 CD GLU A 132 -7.426 10.394 6.563 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -7.985 9.489 7.220 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -6.380 10.997 6.886 1.00 0.00 O ATOM 0 H GLU A 132 -9.189 7.874 2.731 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.920 10.578 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.648 8.754 4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.241 9.286 3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.486 11.573 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.065 11.231 5.437 1.00 0.00 H new