USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 561 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 73 THR OG1 : rot 50:sc= -3.5! USER MOD Set 1.2: A 77 ASN : amide:sc= -5.33! C(o=-8.8!,f=-11!) USER MOD Set 2.1: A 56 MET CE :methyl -158:sc= -1.96 (180deg=-3.35!) USER MOD Set 2.2: A 64 MET CE :methyl -149:sc= -0.915 (180deg=-2.57) USER MOD Set 3.1: A 29 GLN : amide:sc= -1.77 K(o=-3.5,f=-5.4) USER MOD Set 3.2: A 55 ASN : amide:sc= -1.68 K(o=-3.5,f=-5.7!) USER MOD Set 4.1: A 43 TYR OH : rot -155:sc= 0.733 USER MOD Set 4.2: A 84 HIS :FLIP no HD1:sc= -0.372 F(o=-1.8,f=0.36) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0824 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0819 USER MOD Single : A 31 HIS : no HD1:sc= -2.46! X(o=-2.5!,f=-2.7) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 71:sc= -1.31 USER MOD Single : A 63 LYS NZ :NH3+ -156:sc= 0.00529 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.382 K(o=-0.38,f=-1.6) USER MOD Single : A 66 LYS NZ :NH3+ 141:sc= 0.424 (180deg=-0.00896) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 86:sc= 0.739 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 265 N VAL A 20 5.295 13.796 22.799 1.00 0.00 N ATOM 266 CA VAL A 20 4.955 13.151 24.062 1.00 0.00 C ATOM 267 C VAL A 20 6.133 13.181 25.029 1.00 0.00 C ATOM 268 O VAL A 20 7.295 13.255 24.628 1.00 0.00 O ATOM 269 CB VAL A 20 4.518 11.690 23.846 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.146 11.633 23.193 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.547 10.945 23.008 1.00 0.00 C ATOM 0 HA VAL A 20 4.124 13.711 24.490 1.00 0.00 H new ATOM 0 HB VAL A 20 4.451 11.202 24.818 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.855 10.593 23.049 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.417 12.128 23.834 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.181 12.137 22.227 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.222 9.914 22.865 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.647 11.432 22.038 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.509 10.955 23.520 1.00 0.00 H new ATOM 281 N PRO A 21 5.829 13.121 26.334 1.00 0.00 N ATOM 282 CA PRO A 21 6.850 13.138 27.386 1.00 0.00 C ATOM 283 C PRO A 21 7.671 11.854 27.418 1.00 0.00 C ATOM 284 O PRO A 21 7.201 10.794 27.003 1.00 0.00 O ATOM 285 CB PRO A 21 6.031 13.281 28.671 1.00 0.00 C ATOM 286 CG PRO A 21 4.695 12.715 28.335 1.00 0.00 C ATOM 287 CD PRO A 21 4.466 13.031 26.883 1.00 0.00 C ATOM 0 HA PRO A 21 7.577 13.936 27.236 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.493 12.741 29.497 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.953 14.324 28.977 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.672 11.639 28.509 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.916 13.155 28.958 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.885 12.252 26.389 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.919 13.966 26.757 1.00 0.00 H new ATOM 295 N ALA A 22 8.900 11.955 27.912 1.00 0.00 N ATOM 296 CA ALA A 22 9.786 10.801 28.000 1.00 0.00 C ATOM 297 C ALA A 22 9.099 9.634 28.701 1.00 0.00 C ATOM 298 O ALA A 22 8.820 8.605 28.086 1.00 0.00 O ATOM 299 CB ALA A 22 11.069 11.174 28.728 1.00 0.00 C ATOM 0 H ALA A 22 9.305 12.825 28.258 1.00 0.00 H new ATOM 0 HA ALA A 22 10.035 10.487 26.986 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.721 10.302 28.786 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.577 11.971 28.185 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.830 11.516 29.735 1.00 0.00 H new ATOM 305 N ASP A 23 8.829 9.801 29.992 1.00 0.00 N ATOM 306 CA ASP A 23 8.174 8.761 30.777 1.00 0.00 C ATOM 307 C ASP A 23 6.911 8.267 30.078 1.00 0.00 C ATOM 308 O ASP A 23 5.901 8.967 30.001 1.00 0.00 O ATOM 309 CB ASP A 23 7.829 9.286 32.171 1.00 0.00 C ATOM 310 CG ASP A 23 9.030 9.308 33.095 1.00 0.00 C ATOM 311 OD1 ASP A 23 9.692 8.258 33.235 1.00 0.00 O ATOM 312 OD2 ASP A 23 9.310 10.376 33.679 1.00 0.00 O ATOM 0 H ASP A 23 9.054 10.647 30.516 1.00 0.00 H new ATOM 0 HA ASP A 23 8.865 7.923 30.874 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.421 10.293 32.086 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.049 8.662 32.608 1.00 0.00 H new ATOM 317 N PRO A 24 6.967 7.033 29.555 1.00 0.00 N ATOM 318 CA PRO A 24 5.837 6.419 28.853 1.00 0.00 C ATOM 319 C PRO A 24 4.688 6.073 29.795 1.00 0.00 C ATOM 320 O PRO A 24 3.564 5.829 29.356 1.00 0.00 O ATOM 321 CB PRO A 24 6.440 5.145 28.256 1.00 0.00 C ATOM 322 CG PRO A 24 7.595 4.822 29.140 1.00 0.00 C ATOM 323 CD PRO A 24 8.139 6.143 29.609 1.00 0.00 C ATOM 0 HA PRO A 24 5.405 7.091 28.111 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.714 4.333 28.241 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.762 5.304 27.227 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.281 4.208 29.984 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.354 4.257 28.599 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.546 6.075 30.618 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.943 6.498 28.965 1.00 0.00 H new ATOM 331 N THR A 25 4.978 6.055 31.092 1.00 0.00 N ATOM 332 CA THR A 25 3.969 5.739 32.096 1.00 0.00 C ATOM 333 C THR A 25 3.067 6.937 32.365 1.00 0.00 C ATOM 334 O THR A 25 1.936 6.784 32.829 1.00 0.00 O ATOM 335 CB THR A 25 4.616 5.290 33.420 1.00 0.00 C ATOM 336 OG1 THR A 25 5.890 5.923 33.582 1.00 0.00 O ATOM 337 CG2 THR A 25 4.787 3.779 33.454 1.00 0.00 C ATOM 0 H THR A 25 5.903 6.255 31.472 1.00 0.00 H new ATOM 0 HA THR A 25 3.371 4.920 31.696 1.00 0.00 H new ATOM 0 HB THR A 25 3.958 5.584 34.238 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.294 5.634 34.427 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.246 3.486 34.398 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.812 3.300 33.360 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.426 3.466 32.628 1.00 0.00 H new ATOM 345 N LEU A 26 3.572 8.130 32.070 1.00 0.00 N ATOM 346 CA LEU A 26 2.809 9.356 32.279 1.00 0.00 C ATOM 347 C LEU A 26 1.917 9.655 31.079 1.00 0.00 C ATOM 348 O LEU A 26 1.101 10.575 31.114 1.00 0.00 O ATOM 349 CB LEU A 26 3.756 10.532 32.531 1.00 0.00 C ATOM 350 CG LEU A 26 4.687 10.398 33.736 1.00 0.00 C ATOM 351 CD1 LEU A 26 5.670 11.557 33.782 1.00 0.00 C ATOM 352 CD2 LEU A 26 3.882 10.327 35.026 1.00 0.00 C ATOM 0 H LEU A 26 4.506 8.275 31.686 1.00 0.00 H new ATOM 0 HA LEU A 26 2.173 9.214 33.153 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.367 10.678 31.640 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.157 11.434 32.658 1.00 0.00 H new ATOM 0 HG LEU A 26 5.253 9.472 33.633 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.325 11.445 34.646 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.269 11.562 32.871 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.122 12.496 33.861 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.561 10.232 35.874 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.290 11.235 35.136 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.218 9.463 34.994 1.00 0.00 H new ATOM 364 N TRP A 27 2.078 8.869 30.020 1.00 0.00 N ATOM 365 CA TRP A 27 1.285 9.048 28.809 1.00 0.00 C ATOM 366 C TRP A 27 -0.206 8.943 29.113 1.00 0.00 C ATOM 367 O TRP A 27 -0.643 8.034 29.821 1.00 0.00 O ATOM 368 CB TRP A 27 1.678 8.008 27.759 1.00 0.00 C ATOM 369 CG TRP A 27 2.976 8.316 27.075 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.696 9.473 27.166 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.706 7.454 26.195 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.829 9.382 26.394 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.859 8.154 25.789 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.498 6.160 25.711 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.799 7.601 24.923 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.432 5.613 24.851 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.570 6.332 24.465 1.00 0.00 C ATOM 0 H TRP A 27 2.750 8.103 29.975 1.00 0.00 H new ATOM 0 HA TRP A 27 1.487 10.045 28.417 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.750 7.030 28.235 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.888 7.941 27.011 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.416 10.332 27.757 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.534 10.112 26.289 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.624 5.597 26.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.677 8.154 24.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.281 4.614 24.470 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.281 5.876 23.792 1.00 0.00 H new ATOM 388 N THR A 28 -0.983 9.878 28.575 1.00 0.00 N ATOM 389 CA THR A 28 -2.424 9.890 28.791 1.00 0.00 C ATOM 390 C THR A 28 -3.130 8.925 27.845 1.00 0.00 C ATOM 391 O THR A 28 -2.490 8.267 27.025 1.00 0.00 O ATOM 392 CB THR A 28 -3.010 11.302 28.596 1.00 0.00 C ATOM 393 OG1 THR A 28 -2.977 11.659 27.210 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.231 12.326 29.408 1.00 0.00 C ATOM 0 H THR A 28 -0.638 10.637 27.987 1.00 0.00 H new ATOM 0 HA THR A 28 -2.591 9.574 29.821 1.00 0.00 H new ATOM 0 HB THR A 28 -4.043 11.295 28.944 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.353 12.557 27.094 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.662 13.315 29.255 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.282 12.067 30.466 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.190 12.330 29.086 1.00 0.00 H new ATOM 402 N GLN A 29 -4.452 8.848 27.963 1.00 0.00 N ATOM 403 CA GLN A 29 -5.243 7.962 27.117 1.00 0.00 C ATOM 404 C GLN A 29 -5.113 8.353 25.649 1.00 0.00 C ATOM 405 O GLN A 29 -5.428 7.565 24.758 1.00 0.00 O ATOM 406 CB GLN A 29 -6.713 7.999 27.539 1.00 0.00 C ATOM 407 CG GLN A 29 -7.275 6.635 27.904 1.00 0.00 C ATOM 408 CD GLN A 29 -8.655 6.720 28.527 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.612 7.158 27.888 1.00 0.00 O ATOM 410 NE2 GLN A 29 -8.765 6.300 29.782 1.00 0.00 N ATOM 0 H GLN A 29 -4.997 9.388 28.635 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.863 6.948 27.239 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.821 8.668 28.393 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.305 8.421 26.727 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.322 6.014 27.009 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.596 6.141 28.599 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.946 5.944 30.274 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.669 6.333 30.253 1.00 0.00 H new ATOM 419 N GLU A 30 -4.649 9.575 25.405 1.00 0.00 N ATOM 420 CA GLU A 30 -4.479 10.069 24.044 1.00 0.00 C ATOM 421 C GLU A 30 -3.045 9.864 23.565 1.00 0.00 C ATOM 422 O GLU A 30 -2.809 9.508 22.410 1.00 0.00 O ATOM 423 CB GLU A 30 -4.847 11.553 23.967 1.00 0.00 C ATOM 424 CG GLU A 30 -4.769 12.127 22.563 1.00 0.00 C ATOM 425 CD GLU A 30 -6.092 12.050 21.827 1.00 0.00 C ATOM 426 OE1 GLU A 30 -6.544 10.924 21.534 1.00 0.00 O ATOM 427 OE2 GLU A 30 -6.676 13.117 21.544 1.00 0.00 O ATOM 0 H GLU A 30 -4.384 10.240 26.132 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.145 9.502 23.393 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.858 11.688 24.350 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.181 12.118 24.619 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.448 13.167 22.617 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.010 11.588 21.996 1.00 0.00 H new ATOM 434 N HIS A 31 -2.090 10.091 24.462 1.00 0.00 N ATOM 435 CA HIS A 31 -0.678 9.931 24.132 1.00 0.00 C ATOM 436 C HIS A 31 -0.393 8.516 23.637 1.00 0.00 C ATOM 437 O HIS A 31 0.210 8.327 22.581 1.00 0.00 O ATOM 438 CB HIS A 31 0.191 10.242 25.351 1.00 0.00 C ATOM 439 CG HIS A 31 0.403 11.708 25.576 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.745 12.239 26.802 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.323 12.755 24.722 1.00 0.00 C ATOM 442 CE1 HIS A 31 0.864 13.550 26.693 1.00 0.00 C ATOM 443 NE2 HIS A 31 0.614 13.889 25.441 1.00 0.00 N ATOM 0 H HIS A 31 -2.268 10.386 25.422 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.435 10.632 23.334 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.273 9.810 26.238 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.160 9.757 25.230 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.076 12.708 23.672 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.122 14.229 27.492 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.634 14.838 25.069 1.00 0.00 H new ATOM 451 N VAL A 32 -0.830 7.525 24.408 1.00 0.00 N ATOM 452 CA VAL A 32 -0.621 6.128 24.048 1.00 0.00 C ATOM 453 C VAL A 32 -1.083 5.853 22.621 1.00 0.00 C ATOM 454 O VAL A 32 -0.528 4.997 21.932 1.00 0.00 O ATOM 455 CB VAL A 32 -1.369 5.184 25.008 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.239 3.740 24.546 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.847 5.346 26.428 1.00 0.00 C ATOM 0 H VAL A 32 -1.331 7.664 25.286 1.00 0.00 H new ATOM 0 HA VAL A 32 0.450 5.938 24.123 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.426 5.449 25.001 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.774 3.088 25.236 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.664 3.638 23.547 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.186 3.459 24.523 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.386 4.672 27.093 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.216 5.108 26.454 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.996 6.375 26.755 1.00 0.00 H new ATOM 467 N ARG A 33 -2.102 6.585 22.184 1.00 0.00 N ATOM 468 CA ARG A 33 -2.639 6.420 20.838 1.00 0.00 C ATOM 469 C ARG A 33 -1.729 7.077 19.805 1.00 0.00 C ATOM 470 O ARG A 33 -1.282 6.431 18.858 1.00 0.00 O ATOM 471 CB ARG A 33 -4.044 7.019 20.750 1.00 0.00 C ATOM 472 CG ARG A 33 -5.093 6.229 21.516 1.00 0.00 C ATOM 473 CD ARG A 33 -6.499 6.578 21.056 1.00 0.00 C ATOM 474 NE ARG A 33 -6.841 5.926 19.795 1.00 0.00 N ATOM 475 CZ ARG A 33 -7.900 6.251 19.063 1.00 0.00 C ATOM 476 NH1 ARG A 33 -8.717 7.215 19.464 1.00 0.00 N ATOM 477 NH2 ARG A 33 -8.144 5.612 17.926 1.00 0.00 N ATOM 0 H ARG A 33 -2.572 7.298 22.742 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.692 5.353 20.623 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.019 8.039 21.132 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.339 7.078 19.702 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.918 5.162 21.379 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.997 6.433 22.582 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.215 6.282 21.823 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.585 7.658 20.940 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.233 5.180 19.458 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.533 7.709 20.337 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.530 7.462 18.899 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.518 4.870 17.613 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.958 5.863 17.365 1.00 0.00 H new ATOM 491 N GLN A 34 -1.460 8.365 19.995 1.00 0.00 N ATOM 492 CA GLN A 34 -0.604 9.109 19.078 1.00 0.00 C ATOM 493 C GLN A 34 0.722 8.387 18.863 1.00 0.00 C ATOM 494 O GLN A 34 1.193 8.258 17.734 1.00 0.00 O ATOM 495 CB GLN A 34 -0.350 10.519 19.615 1.00 0.00 C ATOM 496 CG GLN A 34 -1.347 11.550 19.114 1.00 0.00 C ATOM 497 CD GLN A 34 -0.913 12.973 19.408 1.00 0.00 C ATOM 498 OE1 GLN A 34 0.167 13.402 19.002 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.756 13.714 20.119 1.00 0.00 N ATOM 0 H GLN A 34 -1.822 8.914 20.775 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.117 9.180 18.119 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.382 10.495 20.704 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.655 10.831 19.332 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.479 11.429 18.039 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.317 11.367 19.577 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.641 13.318 20.435 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.518 14.679 20.348 1.00 0.00 H new ATOM 508 N TRP A 35 1.317 7.918 19.954 1.00 0.00 N ATOM 509 CA TRP A 35 2.590 7.209 19.885 1.00 0.00 C ATOM 510 C TRP A 35 2.481 5.983 18.985 1.00 0.00 C ATOM 511 O TRP A 35 3.405 5.668 18.233 1.00 0.00 O ATOM 512 CB TRP A 35 3.041 6.791 21.285 1.00 0.00 C ATOM 513 CG TRP A 35 4.201 5.842 21.277 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.502 6.140 20.985 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.165 4.441 21.571 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.276 5.009 21.081 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.480 3.954 21.439 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.150 3.552 21.935 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.803 2.617 21.658 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.473 2.226 22.151 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.790 1.769 22.013 1.00 0.00 C ATOM 0 H TRP A 35 0.939 8.016 20.896 1.00 0.00 H new ATOM 0 HA TRP A 35 3.332 7.885 19.459 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.313 7.681 21.852 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.204 6.325 21.805 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.868 7.120 20.718 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.281 4.963 20.913 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.132 3.895 22.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.817 2.262 21.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.696 1.530 22.431 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.010 0.727 22.190 1.00 0.00 H new ATOM 532 N LEU A 36 1.348 5.294 19.065 1.00 0.00 N ATOM 533 CA LEU A 36 1.119 4.101 18.257 1.00 0.00 C ATOM 534 C LEU A 36 1.155 4.436 16.770 1.00 0.00 C ATOM 535 O LEU A 36 1.986 3.916 16.027 1.00 0.00 O ATOM 536 CB LEU A 36 -0.226 3.468 18.617 1.00 0.00 C ATOM 537 CG LEU A 36 -0.249 1.942 18.701 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.543 1.462 19.908 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.681 1.432 18.765 1.00 0.00 C ATOM 0 H LEU A 36 0.574 5.541 19.681 1.00 0.00 H new ATOM 0 HA LEU A 36 1.917 3.389 18.469 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.548 3.870 19.578 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.962 3.782 17.877 1.00 0.00 H new ATOM 0 HG LEU A 36 0.218 1.541 17.802 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.516 0.373 19.952 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.577 1.796 19.821 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.105 1.873 20.818 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.677 0.344 18.824 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.174 1.842 19.646 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.219 1.745 17.870 1.00 0.00 H new ATOM 551 N GLU A 37 0.249 5.310 16.343 1.00 0.00 N ATOM 552 CA GLU A 37 0.178 5.716 14.944 1.00 0.00 C ATOM 553 C GLU A 37 1.531 6.227 14.457 1.00 0.00 C ATOM 554 O GLU A 37 1.846 6.148 13.270 1.00 0.00 O ATOM 555 CB GLU A 37 -0.886 6.799 14.757 1.00 0.00 C ATOM 556 CG GLU A 37 -2.270 6.378 15.221 1.00 0.00 C ATOM 557 CD GLU A 37 -3.376 6.974 14.371 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.381 8.209 14.185 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.237 6.206 13.894 1.00 0.00 O ATOM 0 H GLU A 37 -0.446 5.751 16.946 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.096 4.843 14.352 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.584 7.692 15.305 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.933 7.073 13.703 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.343 5.291 15.195 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.410 6.682 16.258 1.00 0.00 H new ATOM 566 N TRP A 38 2.326 6.751 15.383 1.00 0.00 N ATOM 567 CA TRP A 38 3.645 7.277 15.048 1.00 0.00 C ATOM 568 C TRP A 38 4.616 6.146 14.726 1.00 0.00 C ATOM 569 O TRP A 38 5.126 6.053 13.610 1.00 0.00 O ATOM 570 CB TRP A 38 4.189 8.119 16.203 1.00 0.00 C ATOM 571 CG TRP A 38 5.643 8.455 16.060 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.208 9.266 15.118 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.716 7.987 16.885 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.567 9.330 15.307 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.904 8.555 16.385 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.789 7.145 17.998 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.147 8.306 16.960 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.023 6.899 18.567 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.189 7.478 18.048 1.00 0.00 C ATOM 0 H TRP A 38 2.081 6.823 16.371 1.00 0.00 H new ATOM 0 HA TRP A 38 3.544 7.907 14.164 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.615 9.043 16.271 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.038 7.580 17.138 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.666 9.781 14.339 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.220 9.868 14.737 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.896 6.695 18.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.047 8.751 16.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.091 6.249 19.427 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.139 7.266 18.516 1.00 0.00 H new ATOM 590 N ALA A 39 4.867 5.289 15.710 1.00 0.00 N ATOM 591 CA ALA A 39 5.774 4.163 15.529 1.00 0.00 C ATOM 592 C ALA A 39 5.410 3.358 14.287 1.00 0.00 C ATOM 593 O ALA A 39 6.278 2.771 13.639 1.00 0.00 O ATOM 594 CB ALA A 39 5.760 3.270 16.762 1.00 0.00 C ATOM 0 H ALA A 39 4.455 5.353 16.641 1.00 0.00 H new ATOM 0 HA ALA A 39 6.780 4.558 15.391 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.442 2.433 16.613 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.077 3.846 17.632 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.751 2.891 16.925 1.00 0.00 H new ATOM 600 N ILE A 40 4.123 3.333 13.960 1.00 0.00 N ATOM 601 CA ILE A 40 3.645 2.600 12.794 1.00 0.00 C ATOM 602 C ILE A 40 4.098 3.267 11.501 1.00 0.00 C ATOM 603 O ILE A 40 4.617 2.610 10.598 1.00 0.00 O ATOM 604 CB ILE A 40 2.109 2.488 12.790 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.626 1.749 14.040 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.633 1.779 11.531 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.229 2.139 14.470 1.00 0.00 C ATOM 0 H ILE A 40 3.392 3.812 14.486 1.00 0.00 H new ATOM 0 HA ILE A 40 4.074 1.600 12.853 1.00 0.00 H new ATOM 0 HB ILE A 40 1.686 3.493 12.799 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.653 0.676 13.851 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.318 1.946 14.859 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.545 1.708 11.543 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.950 2.343 10.654 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.062 0.778 11.493 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.048 1.576 15.362 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.201 3.206 14.691 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.474 1.916 13.668 1.00 0.00 H new ATOM 619 N LYS A 41 3.901 4.579 11.418 1.00 0.00 N ATOM 620 CA LYS A 41 4.292 5.339 10.236 1.00 0.00 C ATOM 621 C LYS A 41 5.806 5.516 10.180 1.00 0.00 C ATOM 622 O LYS A 41 6.367 5.803 9.123 1.00 0.00 O ATOM 623 CB LYS A 41 3.607 6.707 10.235 1.00 0.00 C ATOM 624 CG LYS A 41 4.042 7.606 11.379 1.00 0.00 C ATOM 625 CD LYS A 41 3.551 9.031 11.187 1.00 0.00 C ATOM 626 CE LYS A 41 4.598 9.893 10.498 1.00 0.00 C ATOM 627 NZ LYS A 41 4.267 10.128 9.065 1.00 0.00 N ATOM 0 H LYS A 41 3.473 5.138 12.156 1.00 0.00 H new ATOM 0 HA LYS A 41 3.976 4.781 9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.817 7.208 9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.528 6.564 10.287 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.657 7.211 12.319 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.129 7.602 11.453 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.636 9.025 10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.301 9.465 12.155 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.678 10.850 11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.572 9.409 10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.004 10.719 8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.216 9.217 8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.349 10.612 8.996 1.00 0.00 H new ATOM 641 N GLU A 42 6.461 5.343 11.324 1.00 0.00 N ATOM 642 CA GLU A 42 7.910 5.484 11.403 1.00 0.00 C ATOM 643 C GLU A 42 8.604 4.173 11.044 1.00 0.00 C ATOM 644 O GLU A 42 9.448 4.130 10.149 1.00 0.00 O ATOM 645 CB GLU A 42 8.326 5.926 12.808 1.00 0.00 C ATOM 646 CG GLU A 42 9.830 6.044 12.989 1.00 0.00 C ATOM 647 CD GLU A 42 10.266 7.453 13.341 1.00 0.00 C ATOM 648 OE1 GLU A 42 9.915 8.387 12.590 1.00 0.00 O ATOM 649 OE2 GLU A 42 10.958 7.621 14.367 1.00 0.00 O ATOM 0 H GLU A 42 6.011 5.105 12.208 1.00 0.00 H new ATOM 0 HA GLU A 42 8.215 6.245 10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.865 6.889 13.028 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.936 5.213 13.534 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.152 5.361 13.775 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.328 5.732 12.071 1.00 0.00 H new ATOM 656 N TYR A 43 8.244 3.107 11.749 1.00 0.00 N ATOM 657 CA TYR A 43 8.833 1.795 11.508 1.00 0.00 C ATOM 658 C TYR A 43 8.053 1.036 10.439 1.00 0.00 C ATOM 659 O TYR A 43 8.303 -0.144 10.194 1.00 0.00 O ATOM 660 CB TYR A 43 8.869 0.983 12.803 1.00 0.00 C ATOM 661 CG TYR A 43 9.458 1.736 13.975 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.633 2.465 13.837 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.839 1.719 15.219 1.00 0.00 C ATOM 664 CE1 TYR A 43 11.175 3.154 14.905 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.373 2.407 16.291 1.00 0.00 C ATOM 666 CZ TYR A 43 10.541 3.122 16.129 1.00 0.00 C ATOM 667 OH TYR A 43 11.077 3.808 17.196 1.00 0.00 O ATOM 0 H TYR A 43 7.546 3.125 12.493 1.00 0.00 H new ATOM 0 HA TYR A 43 9.853 1.942 11.152 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.855 0.672 13.055 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.449 0.075 12.637 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.131 2.493 12.879 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.925 1.158 15.350 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.090 3.714 14.782 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.879 2.385 17.251 1.00 0.00 H new ATOM 0 HH TYR A 43 10.775 3.398 18.033 1.00 0.00 H new ATOM 677 N SER A 44 7.108 1.722 9.806 1.00 0.00 N ATOM 678 CA SER A 44 6.288 1.113 8.765 1.00 0.00 C ATOM 679 C SER A 44 5.668 -0.192 9.256 1.00 0.00 C ATOM 680 O SER A 44 5.866 -1.250 8.657 1.00 0.00 O ATOM 681 CB SER A 44 7.127 0.853 7.512 1.00 0.00 C ATOM 682 OG SER A 44 7.413 2.062 6.830 1.00 0.00 O ATOM 0 H SER A 44 6.891 2.700 9.995 1.00 0.00 H new ATOM 0 HA SER A 44 5.484 1.806 8.518 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.058 0.360 7.790 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.593 0.174 6.847 1.00 0.00 H new ATOM 0 HG SER A 44 7.951 1.869 6.034 1.00 0.00 H new ATOM 688 N LEU A 45 4.918 -0.109 10.349 1.00 0.00 N ATOM 689 CA LEU A 45 4.268 -1.282 10.922 1.00 0.00 C ATOM 690 C LEU A 45 2.911 -1.526 10.270 1.00 0.00 C ATOM 691 O LEU A 45 2.263 -0.594 9.796 1.00 0.00 O ATOM 692 CB LEU A 45 4.098 -1.109 12.432 1.00 0.00 C ATOM 693 CG LEU A 45 5.350 -0.694 13.206 1.00 0.00 C ATOM 694 CD1 LEU A 45 5.064 -0.648 14.699 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.500 -1.646 12.910 1.00 0.00 C ATOM 0 H LEU A 45 4.745 0.759 10.856 1.00 0.00 H new ATOM 0 HA LEU A 45 4.902 -2.148 10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.323 -0.363 12.607 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.734 -2.049 12.846 1.00 0.00 H new ATOM 0 HG LEU A 45 5.640 0.306 12.882 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.966 -0.351 15.233 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.272 0.074 14.896 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.749 -1.634 15.040 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.383 -1.335 13.469 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.220 -2.657 13.206 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.722 -1.628 11.843 1.00 0.00 H new ATOM 707 N MET A 46 2.486 -2.785 10.253 1.00 0.00 N ATOM 708 CA MET A 46 1.204 -3.151 9.662 1.00 0.00 C ATOM 709 C MET A 46 0.541 -4.274 10.454 1.00 0.00 C ATOM 710 O MET A 46 1.179 -4.919 11.285 1.00 0.00 O ATOM 711 CB MET A 46 1.392 -3.580 8.206 1.00 0.00 C ATOM 712 CG MET A 46 2.021 -2.506 7.333 1.00 0.00 C ATOM 713 SD MET A 46 1.420 -2.554 5.633 1.00 0.00 S ATOM 714 CE MET A 46 2.780 -1.770 4.771 1.00 0.00 C ATOM 0 H MET A 46 3.010 -3.569 10.642 1.00 0.00 H new ATOM 0 HA MET A 46 0.555 -2.276 9.694 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.017 -4.473 8.176 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.423 -3.855 7.789 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.811 -1.526 7.761 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.104 -2.629 7.335 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.558 -1.725 3.705 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.920 -0.760 5.155 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.691 -2.347 4.927 1.00 0.00 H new ATOM 724 N GLU A 47 -0.742 -4.501 10.190 1.00 0.00 N ATOM 725 CA GLU A 47 -1.490 -5.545 10.879 1.00 0.00 C ATOM 726 C GLU A 47 -1.580 -5.253 12.374 1.00 0.00 C ATOM 727 O GLU A 47 -1.638 -6.170 13.194 1.00 0.00 O ATOM 728 CB GLU A 47 -0.832 -6.908 10.654 1.00 0.00 C ATOM 729 CG GLU A 47 -0.460 -7.172 9.204 1.00 0.00 C ATOM 730 CD GLU A 47 -1.019 -8.484 8.688 1.00 0.00 C ATOM 731 OE1 GLU A 47 -0.768 -9.528 9.326 1.00 0.00 O ATOM 732 OE2 GLU A 47 -1.708 -8.466 7.647 1.00 0.00 O ATOM 0 H GLU A 47 -1.284 -3.976 9.504 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.499 -5.564 10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.066 -6.975 11.269 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.510 -7.690 10.995 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.829 -6.355 8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.626 -7.181 9.107 1.00 0.00 H new ATOM 739 N ILE A 48 -1.591 -3.971 12.721 1.00 0.00 N ATOM 740 CA ILE A 48 -1.675 -3.557 14.116 1.00 0.00 C ATOM 741 C ILE A 48 -3.065 -3.028 14.450 1.00 0.00 C ATOM 742 O ILE A 48 -3.653 -2.268 13.680 1.00 0.00 O ATOM 743 CB ILE A 48 -0.632 -2.473 14.446 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.566 -2.240 15.956 1.00 0.00 C ATOM 745 CG2 ILE A 48 -0.967 -1.178 13.719 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.822 -1.905 16.456 1.00 0.00 C ATOM 0 H ILE A 48 -1.543 -3.200 12.055 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.471 -4.441 14.720 1.00 0.00 H new ATOM 0 HB ILE A 48 0.346 -2.815 14.108 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.244 -1.429 16.220 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.922 -3.133 16.469 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.221 -0.421 13.962 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.968 -1.354 12.643 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.952 -0.830 14.031 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.793 -1.753 17.535 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.500 -2.726 16.223 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.174 -0.995 15.970 1.00 0.00 H new ATOM 758 N ASP A 49 -3.585 -3.434 15.604 1.00 0.00 N ATOM 759 CA ASP A 49 -4.906 -2.998 16.042 1.00 0.00 C ATOM 760 C ASP A 49 -4.801 -1.780 16.954 1.00 0.00 C ATOM 761 O ASP A 49 -4.597 -1.909 18.161 1.00 0.00 O ATOM 762 CB ASP A 49 -5.625 -4.135 16.770 1.00 0.00 C ATOM 763 CG ASP A 49 -7.130 -4.073 16.595 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.643 -2.988 16.249 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.795 -5.109 16.806 1.00 0.00 O ATOM 0 H ASP A 49 -3.112 -4.064 16.252 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.482 -2.720 15.159 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.258 -5.091 16.397 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.383 -4.093 17.832 1.00 0.00 H new ATOM 770 N THR A 50 -4.941 -0.595 16.368 1.00 0.00 N ATOM 771 CA THR A 50 -4.861 0.647 17.126 1.00 0.00 C ATOM 772 C THR A 50 -6.052 0.796 18.065 1.00 0.00 C ATOM 773 O THR A 50 -5.976 1.500 19.073 1.00 0.00 O ATOM 774 CB THR A 50 -4.800 1.872 16.194 1.00 0.00 C ATOM 775 OG1 THR A 50 -6.006 1.964 15.427 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.604 1.781 15.259 1.00 0.00 C ATOM 0 H THR A 50 -5.110 -0.470 15.370 1.00 0.00 H new ATOM 0 HA THR A 50 -3.943 0.600 17.712 1.00 0.00 H new ATOM 0 HB THR A 50 -4.692 2.765 16.810 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.960 2.746 14.838 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.582 2.657 14.610 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.686 1.740 15.845 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.686 0.881 14.650 1.00 0.00 H new ATOM 784 N SER A 51 -7.152 0.129 17.730 1.00 0.00 N ATOM 785 CA SER A 51 -8.361 0.191 18.542 1.00 0.00 C ATOM 786 C SER A 51 -8.130 -0.445 19.909 1.00 0.00 C ATOM 787 O SER A 51 -8.794 -0.102 20.887 1.00 0.00 O ATOM 788 CB SER A 51 -9.516 -0.514 17.828 1.00 0.00 C ATOM 789 OG SER A 51 -10.716 0.232 17.941 1.00 0.00 O ATOM 0 H SER A 51 -7.230 -0.461 16.901 1.00 0.00 H new ATOM 0 HA SER A 51 -8.619 1.240 18.687 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.267 -0.652 16.776 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.660 -1.507 18.254 1.00 0.00 H new ATOM 0 HG SER A 51 -11.439 -0.238 17.475 1.00 0.00 H new ATOM 795 N PHE A 52 -7.182 -1.375 19.970 1.00 0.00 N ATOM 796 CA PHE A 52 -6.862 -2.061 21.216 1.00 0.00 C ATOM 797 C PHE A 52 -6.264 -1.093 22.232 1.00 0.00 C ATOM 798 O PHE A 52 -6.352 -1.310 23.441 1.00 0.00 O ATOM 799 CB PHE A 52 -5.887 -3.211 20.955 1.00 0.00 C ATOM 800 CG PHE A 52 -6.042 -4.358 21.911 1.00 0.00 C ATOM 801 CD1 PHE A 52 -5.538 -4.277 23.199 1.00 0.00 C ATOM 802 CD2 PHE A 52 -6.693 -5.518 21.522 1.00 0.00 C ATOM 803 CE1 PHE A 52 -5.679 -5.332 24.081 1.00 0.00 C ATOM 804 CE2 PHE A 52 -6.838 -6.576 22.399 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.331 -6.483 23.681 1.00 0.00 C ATOM 0 H PHE A 52 -6.622 -1.671 19.170 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.787 -2.465 21.626 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.031 -3.575 19.938 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.867 -2.833 21.017 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.029 -3.379 23.518 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.092 -5.596 20.521 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.280 -5.257 25.082 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.347 -7.475 22.083 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.444 -7.308 24.369 1.00 0.00 H new ATOM 815 N PHE A 53 -5.655 -0.022 21.733 1.00 0.00 N ATOM 816 CA PHE A 53 -5.041 0.980 22.595 1.00 0.00 C ATOM 817 C PHE A 53 -5.792 2.305 22.510 1.00 0.00 C ATOM 818 O PHE A 53 -5.232 3.366 22.788 1.00 0.00 O ATOM 819 CB PHE A 53 -3.575 1.186 22.209 1.00 0.00 C ATOM 820 CG PHE A 53 -2.821 -0.098 22.009 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.851 -0.751 20.787 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.083 -0.652 23.043 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.159 -1.933 20.601 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.389 -1.833 22.862 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.426 -2.474 21.639 1.00 0.00 C ATOM 0 H PHE A 53 -5.574 0.174 20.735 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.092 0.619 23.622 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.528 1.772 21.291 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.082 1.770 22.986 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.421 -0.332 19.971 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.050 -0.155 24.001 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.191 -2.433 19.644 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.818 -2.255 23.676 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.883 -3.396 21.495 1.00 0.00 H new ATOM 835 N GLN A 54 -7.062 2.235 22.124 1.00 0.00 N ATOM 836 CA GLN A 54 -7.889 3.430 22.001 1.00 0.00 C ATOM 837 C GLN A 54 -8.165 4.044 23.369 1.00 0.00 C ATOM 838 O GLN A 54 -8.411 5.244 23.483 1.00 0.00 O ATOM 839 CB GLN A 54 -9.209 3.092 21.305 1.00 0.00 C ATOM 840 CG GLN A 54 -10.171 2.301 22.177 1.00 0.00 C ATOM 841 CD GLN A 54 -11.506 2.057 21.501 1.00 0.00 C ATOM 842 OE1 GLN A 54 -12.149 2.989 21.018 1.00 0.00 O ATOM 843 NE2 GLN A 54 -11.929 0.799 21.463 1.00 0.00 N ATOM 0 H GLN A 54 -7.540 1.365 21.891 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.345 4.158 21.400 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.692 4.017 20.992 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.998 2.521 20.401 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.718 1.344 22.435 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.334 2.838 23.111 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.363 0.058 21.876 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.820 0.574 21.020 1.00 0.00 H new ATOM 852 N ASN A 55 -8.121 3.213 24.405 1.00 0.00 N ATOM 853 CA ASN A 55 -8.367 3.676 25.767 1.00 0.00 C ATOM 854 C ASN A 55 -7.364 3.062 26.739 1.00 0.00 C ATOM 855 O ASN A 55 -7.696 2.771 27.887 1.00 0.00 O ATOM 856 CB ASN A 55 -9.792 3.324 26.197 1.00 0.00 C ATOM 857 CG ASN A 55 -10.351 4.310 27.205 1.00 0.00 C ATOM 858 OD1 ASN A 55 -10.032 4.250 28.392 1.00 0.00 O ATOM 859 ND2 ASN A 55 -11.192 5.225 26.734 1.00 0.00 N ATOM 0 H ASN A 55 -7.918 2.216 24.328 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.246 4.759 25.784 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.438 3.300 25.319 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.802 2.323 26.628 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.601 5.915 27.365 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.429 5.238 25.742 1.00 0.00 H new ATOM 866 N MET A 56 -6.136 2.869 26.270 1.00 0.00 N ATOM 867 CA MET A 56 -5.084 2.291 27.099 1.00 0.00 C ATOM 868 C MET A 56 -4.149 3.376 27.625 1.00 0.00 C ATOM 869 O MET A 56 -3.264 3.846 26.910 1.00 0.00 O ATOM 870 CB MET A 56 -4.286 1.257 26.302 1.00 0.00 C ATOM 871 CG MET A 56 -3.204 0.566 27.114 1.00 0.00 C ATOM 872 SD MET A 56 -3.546 -1.184 27.381 1.00 0.00 S ATOM 873 CE MET A 56 -3.418 -1.813 25.709 1.00 0.00 C ATOM 0 H MET A 56 -5.845 3.104 25.321 1.00 0.00 H new ATOM 0 HA MET A 56 -5.556 1.798 27.949 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.971 0.505 25.911 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.827 1.748 25.444 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.248 0.671 26.602 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.105 1.064 28.078 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.965 -2.753 25.631 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.842 -1.088 25.014 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.370 -1.982 25.463 1.00 0.00 H new ATOM 883 N ASP A 57 -4.352 3.769 28.877 1.00 0.00 N ATOM 884 CA ASP A 57 -3.527 4.798 29.499 1.00 0.00 C ATOM 885 C ASP A 57 -2.060 4.380 29.518 1.00 0.00 C ATOM 886 O ASP A 57 -1.743 3.193 29.574 1.00 0.00 O ATOM 887 CB ASP A 57 -4.009 5.077 30.924 1.00 0.00 C ATOM 888 CG ASP A 57 -4.329 3.806 31.686 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.395 3.201 32.252 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.515 3.416 31.716 1.00 0.00 O ATOM 0 H ASP A 57 -5.081 3.391 29.482 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.619 5.709 28.908 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.242 5.636 31.461 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.897 5.708 30.887 1.00 0.00 H new ATOM 895 N GLY A 58 -1.168 5.366 29.469 1.00 0.00 N ATOM 896 CA GLY A 58 0.255 5.080 29.480 1.00 0.00 C ATOM 897 C GLY A 58 0.631 4.050 30.527 1.00 0.00 C ATOM 898 O GLY A 58 1.509 3.217 30.302 1.00 0.00 O ATOM 0 H GLY A 58 -1.406 6.357 29.422 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.558 4.721 28.496 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.806 6.002 29.667 1.00 0.00 H new ATOM 902 N LYS A 59 -0.032 4.108 31.677 1.00 0.00 N ATOM 903 CA LYS A 59 0.237 3.174 32.764 1.00 0.00 C ATOM 904 C LYS A 59 -0.086 1.744 32.345 1.00 0.00 C ATOM 905 O LYS A 59 0.680 0.821 32.616 1.00 0.00 O ATOM 906 CB LYS A 59 -0.580 3.552 34.001 1.00 0.00 C ATOM 907 CG LYS A 59 -0.118 4.836 34.668 1.00 0.00 C ATOM 908 CD LYS A 59 1.300 4.708 35.199 1.00 0.00 C ATOM 909 CE LYS A 59 1.412 5.237 36.621 1.00 0.00 C ATOM 910 NZ LYS A 59 2.579 4.655 37.339 1.00 0.00 N ATOM 0 H LYS A 59 -0.760 4.793 31.880 1.00 0.00 H new ATOM 0 HA LYS A 59 1.298 3.231 33.006 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.627 3.657 33.716 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.527 2.738 34.724 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.167 5.657 33.953 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.793 5.086 35.487 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.606 3.662 35.173 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.983 5.256 34.551 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.504 6.323 36.598 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.498 5.006 37.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.620 5.040 38.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.479 3.621 37.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.454 4.897 36.832 1.00 0.00 H new ATOM 924 N GLU A 60 -1.225 1.569 31.681 1.00 0.00 N ATOM 925 CA GLU A 60 -1.648 0.250 31.224 1.00 0.00 C ATOM 926 C GLU A 60 -0.874 -0.167 29.977 1.00 0.00 C ATOM 927 O GLU A 60 -0.925 -1.325 29.560 1.00 0.00 O ATOM 928 CB GLU A 60 -3.150 0.244 30.932 1.00 0.00 C ATOM 929 CG GLU A 60 -4.013 0.288 32.182 1.00 0.00 C ATOM 930 CD GLU A 60 -4.377 -1.094 32.689 1.00 0.00 C ATOM 931 OE1 GLU A 60 -4.752 -1.949 31.859 1.00 0.00 O ATOM 932 OE2 GLU A 60 -4.286 -1.320 33.913 1.00 0.00 O ATOM 0 H GLU A 60 -1.871 2.323 31.448 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.437 -0.467 32.018 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.393 1.100 30.303 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.397 -0.651 30.361 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.484 0.830 32.965 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.926 0.845 31.969 1.00 0.00 H new ATOM 939 N LEU A 61 -0.159 0.783 29.386 1.00 0.00 N ATOM 940 CA LEU A 61 0.626 0.516 28.186 1.00 0.00 C ATOM 941 C LEU A 61 2.024 0.024 28.547 1.00 0.00 C ATOM 942 O LEU A 61 2.650 -0.712 27.784 1.00 0.00 O ATOM 943 CB LEU A 61 0.724 1.776 27.325 1.00 0.00 C ATOM 944 CG LEU A 61 1.571 1.660 26.057 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.936 0.683 25.080 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.751 3.024 25.409 1.00 0.00 C ATOM 0 H LEU A 61 -0.106 1.746 29.718 1.00 0.00 H new ATOM 0 HA LEU A 61 0.121 -0.266 27.619 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.284 2.075 27.038 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.132 2.580 27.938 1.00 0.00 H new ATOM 0 HG LEU A 61 2.554 1.279 26.333 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.552 0.613 24.183 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.860 -0.300 25.546 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.060 1.034 24.809 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.356 2.922 24.508 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.776 3.434 25.146 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.250 3.696 26.107 1.00 0.00 H new ATOM 958 N CYS A 62 2.505 0.433 29.716 1.00 0.00 N ATOM 959 CA CYS A 62 3.829 0.032 30.180 1.00 0.00 C ATOM 960 C CYS A 62 3.758 -1.275 30.962 1.00 0.00 C ATOM 961 O CYS A 62 4.780 -1.907 31.231 1.00 0.00 O ATOM 962 CB CYS A 62 4.440 1.130 31.052 1.00 0.00 C ATOM 963 SG CYS A 62 4.568 2.737 30.233 1.00 0.00 S ATOM 0 H CYS A 62 1.999 1.041 30.359 1.00 0.00 H new ATOM 0 HA CYS A 62 4.462 -0.123 29.306 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.837 1.241 31.954 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.434 0.816 31.370 1.00 0.00 H new ATOM 0 HG CYS A 62 3.381 3.249 30.094 1.00 0.00 H new ATOM 969 N LYS A 63 2.545 -1.675 31.327 1.00 0.00 N ATOM 970 CA LYS A 63 2.339 -2.907 32.080 1.00 0.00 C ATOM 971 C LYS A 63 2.089 -4.083 31.141 1.00 0.00 C ATOM 972 O LYS A 63 2.360 -5.233 31.486 1.00 0.00 O ATOM 973 CB LYS A 63 1.159 -2.750 33.042 1.00 0.00 C ATOM 974 CG LYS A 63 -0.196 -2.823 32.360 1.00 0.00 C ATOM 975 CD LYS A 63 -1.331 -2.684 33.360 1.00 0.00 C ATOM 976 CE LYS A 63 -1.645 -4.010 34.035 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.053 -4.434 33.798 1.00 0.00 N ATOM 0 H LYS A 63 1.689 -1.164 31.113 1.00 0.00 H new ATOM 0 HA LYS A 63 3.244 -3.108 32.654 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.216 -3.528 33.803 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.246 -1.793 33.557 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.271 -2.034 31.611 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.288 -3.773 31.833 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.064 -1.945 34.115 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.221 -2.313 32.852 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.967 -4.777 33.661 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.468 -3.923 35.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.354 -5.077 34.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.671 -3.597 33.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.119 -4.924 32.883 1.00 0.00 H new ATOM 991 N MET A 64 1.573 -3.786 29.953 1.00 0.00 N ATOM 992 CA MET A 64 1.290 -4.820 28.963 1.00 0.00 C ATOM 993 C MET A 64 2.522 -5.684 28.712 1.00 0.00 C ATOM 994 O MET A 64 3.646 -5.278 29.004 1.00 0.00 O ATOM 995 CB MET A 64 0.822 -4.186 27.652 1.00 0.00 C ATOM 996 CG MET A 64 -0.568 -3.575 27.735 1.00 0.00 C ATOM 997 SD MET A 64 -1.813 -4.566 26.889 1.00 0.00 S ATOM 998 CE MET A 64 -1.193 -4.528 25.209 1.00 0.00 C ATOM 0 H MET A 64 1.342 -2.839 29.652 1.00 0.00 H new ATOM 0 HA MET A 64 0.496 -5.456 29.355 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.533 -3.414 27.357 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.831 -4.943 26.868 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.849 -3.462 28.782 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.548 -2.576 27.301 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.029 -4.580 24.511 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.641 -3.602 25.046 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.531 -5.378 25.046 1.00 0.00 H new ATOM 1008 N ASN A 65 2.302 -6.877 28.170 1.00 0.00 N ATOM 1009 CA ASN A 65 3.394 -7.799 27.881 1.00 0.00 C ATOM 1010 C ASN A 65 3.337 -8.273 26.432 1.00 0.00 C ATOM 1011 O ASN A 65 2.427 -7.913 25.684 1.00 0.00 O ATOM 1012 CB ASN A 65 3.339 -9.001 28.826 1.00 0.00 C ATOM 1013 CG ASN A 65 2.822 -8.631 30.202 1.00 0.00 C ATOM 1014 OD1 ASN A 65 3.267 -7.652 30.802 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.878 -9.414 30.710 1.00 0.00 N ATOM 0 H ASN A 65 1.377 -7.228 27.922 1.00 0.00 H new ATOM 0 HA ASN A 65 4.334 -7.269 28.034 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.698 -9.770 28.395 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.336 -9.432 28.919 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.492 -9.215 31.633 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.539 -10.215 30.177 1.00 0.00 H new ATOM 1022 N LYS A 66 4.314 -9.085 26.042 1.00 0.00 N ATOM 1023 CA LYS A 66 4.375 -9.611 24.683 1.00 0.00 C ATOM 1024 C LYS A 66 3.051 -10.259 24.291 1.00 0.00 C ATOM 1025 O LYS A 66 2.573 -10.084 23.171 1.00 0.00 O ATOM 1026 CB LYS A 66 5.510 -10.630 24.560 1.00 0.00 C ATOM 1027 CG LYS A 66 5.858 -10.983 23.124 1.00 0.00 C ATOM 1028 CD LYS A 66 7.257 -10.516 22.758 1.00 0.00 C ATOM 1029 CE LYS A 66 7.661 -10.998 21.374 1.00 0.00 C ATOM 1030 NZ LYS A 66 9.074 -11.469 21.341 1.00 0.00 N ATOM 0 H LYS A 66 5.075 -9.393 26.648 1.00 0.00 H new ATOM 0 HA LYS A 66 4.567 -8.779 24.006 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.398 -10.234 25.053 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.229 -11.540 25.091 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.786 -12.062 22.986 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.133 -10.526 22.450 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.299 -9.427 22.792 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.970 -10.885 23.495 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.001 -11.808 21.065 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.531 -10.189 20.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.145 -12.312 20.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.682 -10.717 20.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.383 -11.707 22.305 1.00 0.00 H new ATOM 1044 N GLU A 67 2.464 -11.006 25.221 1.00 0.00 N ATOM 1045 CA GLU A 67 1.195 -11.679 24.971 1.00 0.00 C ATOM 1046 C GLU A 67 0.076 -10.665 24.750 1.00 0.00 C ATOM 1047 O GLU A 67 -0.560 -10.647 23.697 1.00 0.00 O ATOM 1048 CB GLU A 67 0.841 -12.600 26.140 1.00 0.00 C ATOM 1049 CG GLU A 67 1.259 -14.045 25.925 1.00 0.00 C ATOM 1050 CD GLU A 67 0.361 -14.771 24.942 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -0.440 -14.098 24.260 1.00 0.00 O ATOM 1052 OE2 GLU A 67 0.461 -16.013 24.854 1.00 0.00 O ATOM 0 H GLU A 67 2.847 -11.160 26.154 1.00 0.00 H new ATOM 0 HA GLU A 67 1.303 -12.278 24.067 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.318 -12.224 27.045 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.235 -12.563 26.308 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.286 -14.072 25.562 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.245 -14.570 26.880 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.158 -9.825 25.752 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.199 -8.807 25.669 1.00 0.00 C ATOM 1061 C ASP A 68 -1.031 -7.959 24.412 1.00 0.00 C ATOM 1062 O ASP A 68 -2.012 -7.527 23.806 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.169 -7.914 26.910 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.019 -8.709 28.192 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.553 -9.836 28.257 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.367 -8.204 29.131 1.00 0.00 O ATOM 0 H ASP A 68 0.359 -9.829 26.631 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.164 -9.312 25.618 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.343 -7.207 26.826 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.087 -7.328 26.955 1.00 0.00 H new ATOM 1071 N PHE A 69 0.218 -7.723 24.027 1.00 0.00 N ATOM 1072 CA PHE A 69 0.515 -6.924 22.843 1.00 0.00 C ATOM 1073 C PHE A 69 0.289 -7.734 21.570 1.00 0.00 C ATOM 1074 O PHE A 69 -0.098 -7.190 20.535 1.00 0.00 O ATOM 1075 CB PHE A 69 1.959 -6.420 22.891 1.00 0.00 C ATOM 1076 CG PHE A 69 2.089 -5.022 23.423 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.588 -3.946 22.709 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.711 -4.784 24.638 1.00 0.00 C ATOM 1079 CE1 PHE A 69 1.707 -2.658 23.196 1.00 0.00 C ATOM 1080 CE2 PHE A 69 2.833 -3.498 25.131 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.329 -2.434 24.409 1.00 0.00 C ATOM 0 H PHE A 69 1.041 -8.073 24.517 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.161 -6.069 22.833 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.550 -7.093 23.513 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.382 -6.459 21.887 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.099 -4.115 21.761 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.105 -5.613 25.207 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.314 -1.827 22.629 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.321 -3.326 26.079 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.421 -1.428 24.792 1.00 0.00 H new ATOM 1091 N LEU A 70 0.533 -9.037 21.653 1.00 0.00 N ATOM 1092 CA LEU A 70 0.357 -9.923 20.508 1.00 0.00 C ATOM 1093 C LEU A 70 -1.121 -10.081 20.164 1.00 0.00 C ATOM 1094 O LEU A 70 -1.470 -10.481 19.054 1.00 0.00 O ATOM 1095 CB LEU A 70 0.974 -11.293 20.799 1.00 0.00 C ATOM 1096 CG LEU A 70 2.390 -11.517 20.268 1.00 0.00 C ATOM 1097 CD1 LEU A 70 2.922 -12.868 20.721 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.413 -11.415 18.750 1.00 0.00 C ATOM 0 H LEU A 70 0.853 -9.504 22.502 1.00 0.00 H new ATOM 0 HA LEU A 70 0.864 -9.477 19.653 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.984 -11.443 21.879 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.324 -12.059 20.377 1.00 0.00 H new ATOM 0 HG LEU A 70 3.037 -10.739 20.674 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.931 -13.010 20.334 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.943 -12.904 21.810 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.274 -13.659 20.344 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.429 -11.577 18.390 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.752 -12.170 18.325 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.074 -10.424 18.447 1.00 0.00 H new ATOM 1110 N ARG A 71 -1.984 -9.762 21.123 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.424 -9.868 20.921 1.00 0.00 C ATOM 1112 C ARG A 71 -3.965 -8.630 20.213 1.00 0.00 C ATOM 1113 O ARG A 71 -5.168 -8.511 19.981 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.136 -10.054 22.262 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.742 -11.329 22.989 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.795 -11.737 24.008 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.709 -13.155 24.346 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.159 -14.126 23.559 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -5.723 -13.834 22.395 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -5.045 -15.393 23.936 1.00 0.00 N ATOM 0 H ARG A 71 -1.711 -9.428 22.047 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.615 -10.738 20.293 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.917 -9.199 22.902 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.213 -10.059 22.094 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.603 -12.133 22.266 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.786 -11.182 23.491 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.674 -11.141 24.912 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.787 -11.518 23.612 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.280 -13.414 25.235 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.812 -12.861 22.101 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.067 -14.582 21.793 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.612 -15.622 24.831 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.391 -16.138 23.331 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.069 -7.710 19.872 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.456 -6.481 19.189 1.00 0.00 C ATOM 1136 C ALA A 72 -2.560 -6.218 17.983 1.00 0.00 C ATOM 1137 O ALA A 72 -3.027 -5.770 16.935 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.409 -5.304 20.152 1.00 0.00 C ATOM 0 H ALA A 72 -2.069 -7.792 20.058 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.478 -6.600 18.830 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.700 -4.394 19.628 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.096 -5.483 20.979 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.397 -5.191 20.540 1.00 0.00 H new ATOM 1144 N THR A 73 -1.270 -6.497 18.138 1.00 0.00 N ATOM 1145 CA THR A 73 -0.308 -6.288 17.063 1.00 0.00 C ATOM 1146 C THR A 73 0.446 -7.573 16.742 1.00 0.00 C ATOM 1147 O THR A 73 0.556 -8.467 17.582 1.00 0.00 O ATOM 1148 CB THR A 73 0.708 -5.187 17.424 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.399 -4.754 16.248 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.710 -5.691 18.452 1.00 0.00 C ATOM 0 H THR A 73 -0.867 -6.869 18.998 1.00 0.00 H new ATOM 0 HA THR A 73 -0.876 -5.975 16.187 1.00 0.00 H new ATOM 0 HB THR A 73 0.163 -4.347 17.854 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.749 -4.549 15.543 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.417 -4.896 18.691 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.182 -5.992 19.357 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.250 -6.546 18.045 1.00 0.00 H new ATOM 1158 N THR A 74 0.964 -7.661 15.521 1.00 0.00 N ATOM 1159 CA THR A 74 1.708 -8.838 15.089 1.00 0.00 C ATOM 1160 C THR A 74 2.966 -9.031 15.927 1.00 0.00 C ATOM 1161 O THR A 74 3.387 -8.129 16.652 1.00 0.00 O ATOM 1162 CB THR A 74 2.104 -8.738 13.604 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.787 -9.929 13.198 1.00 0.00 O ATOM 1164 CG2 THR A 74 2.995 -7.529 13.362 1.00 0.00 C ATOM 0 H THR A 74 0.882 -6.931 14.813 1.00 0.00 H new ATOM 0 HA THR A 74 1.049 -9.696 15.225 1.00 0.00 H new ATOM 0 HB THR A 74 1.194 -8.623 13.015 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.034 -9.858 12.252 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.262 -7.479 12.306 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.462 -6.621 13.645 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.901 -7.619 13.961 1.00 0.00 H new ATOM 1172 N LEU A 75 3.564 -10.213 15.824 1.00 0.00 N ATOM 1173 CA LEU A 75 4.777 -10.525 16.572 1.00 0.00 C ATOM 1174 C LEU A 75 5.887 -9.531 16.249 1.00 0.00 C ATOM 1175 O LEU A 75 6.493 -8.947 17.148 1.00 0.00 O ATOM 1176 CB LEU A 75 5.242 -11.948 16.257 1.00 0.00 C ATOM 1177 CG LEU A 75 6.677 -12.290 16.662 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.865 -12.114 18.160 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.025 -13.710 16.241 1.00 0.00 C ATOM 0 H LEU A 75 3.229 -10.971 15.230 1.00 0.00 H new ATOM 0 HA LEU A 75 4.548 -10.451 17.635 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.569 -12.647 16.754 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.139 -12.114 15.185 1.00 0.00 H new ATOM 0 HG LEU A 75 7.353 -11.605 16.150 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.892 -12.362 18.429 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.658 -11.079 18.434 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.181 -12.774 18.693 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.049 -13.937 16.537 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.344 -14.410 16.725 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.931 -13.802 15.159 1.00 0.00 H new ATOM 1191 N TYR A 76 6.149 -9.342 14.960 1.00 0.00 N ATOM 1192 CA TYR A 76 7.187 -8.419 14.518 1.00 0.00 C ATOM 1193 C TYR A 76 7.037 -7.064 15.203 1.00 0.00 C ATOM 1194 O TYR A 76 7.992 -6.534 15.770 1.00 0.00 O ATOM 1195 CB TYR A 76 7.130 -8.245 13.000 1.00 0.00 C ATOM 1196 CG TYR A 76 8.212 -7.340 12.453 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.094 -5.958 12.532 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.351 -7.868 11.857 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.079 -5.128 12.034 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.342 -7.045 11.358 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.201 -5.676 11.448 1.00 0.00 C ATOM 1202 OH TYR A 76 11.185 -4.853 10.950 1.00 0.00 O ATOM 0 H TYR A 76 5.656 -9.816 14.203 1.00 0.00 H new ATOM 0 HA TYR A 76 8.154 -8.840 14.793 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.213 -9.224 12.527 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.156 -7.840 12.725 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.217 -5.525 12.991 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.463 -8.940 11.783 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.971 -4.056 12.103 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.222 -7.471 10.900 1.00 0.00 H new ATOM 0 HH TYR A 76 11.907 -5.398 10.572 1.00 0.00 H new ATOM 1212 N ASN A 77 5.831 -6.508 15.144 1.00 0.00 N ATOM 1213 CA ASN A 77 5.555 -5.214 15.758 1.00 0.00 C ATOM 1214 C ASN A 77 5.665 -5.299 17.278 1.00 0.00 C ATOM 1215 O ASN A 77 6.097 -4.351 17.934 1.00 0.00 O ATOM 1216 CB ASN A 77 4.160 -4.726 15.363 1.00 0.00 C ATOM 1217 CG ASN A 77 4.063 -4.385 13.888 1.00 0.00 C ATOM 1218 OD1 ASN A 77 5.077 -4.244 13.205 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.839 -4.251 13.392 1.00 0.00 N ATOM 0 H ASN A 77 5.030 -6.933 14.678 1.00 0.00 H new ATOM 0 HA ASN A 77 6.297 -4.502 15.397 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.427 -5.496 15.604 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.905 -3.846 15.954 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.710 -4.022 12.406 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.027 -4.377 13.996 1.00 0.00 H new ATOM 1226 N THR A 78 5.271 -6.441 17.832 1.00 0.00 N ATOM 1227 CA THR A 78 5.324 -6.650 19.273 1.00 0.00 C ATOM 1228 C THR A 78 6.748 -6.502 19.798 1.00 0.00 C ATOM 1229 O THR A 78 6.959 -6.080 20.935 1.00 0.00 O ATOM 1230 CB THR A 78 4.790 -8.042 19.659 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.423 -8.172 19.251 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.900 -8.267 21.160 1.00 0.00 C ATOM 0 H THR A 78 4.911 -7.236 17.304 1.00 0.00 H new ATOM 0 HA THR A 78 4.691 -5.887 19.726 1.00 0.00 H new ATOM 0 HB THR A 78 5.394 -8.793 19.150 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.387 -8.475 18.320 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.517 -9.257 21.409 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.945 -8.196 21.463 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.317 -7.510 21.685 1.00 0.00 H new ATOM 1240 N GLU A 79 7.721 -6.850 18.962 1.00 0.00 N ATOM 1241 CA GLU A 79 9.125 -6.755 19.344 1.00 0.00 C ATOM 1242 C GLU A 79 9.605 -5.307 19.298 1.00 0.00 C ATOM 1243 O GLU A 79 10.396 -4.876 20.137 1.00 0.00 O ATOM 1244 CB GLU A 79 9.987 -7.619 18.421 1.00 0.00 C ATOM 1245 CG GLU A 79 9.827 -9.111 18.658 1.00 0.00 C ATOM 1246 CD GLU A 79 11.153 -9.814 18.869 1.00 0.00 C ATOM 1247 OE1 GLU A 79 11.959 -9.858 17.916 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.386 -10.321 19.987 1.00 0.00 O ATOM 0 H GLU A 79 7.563 -7.200 18.017 1.00 0.00 H new ATOM 0 HA GLU A 79 9.222 -7.119 20.367 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.732 -7.395 17.385 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.034 -7.348 18.557 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.193 -9.270 19.530 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.315 -9.558 17.806 1.00 0.00 H new ATOM 1255 N VAL A 80 9.121 -4.561 18.310 1.00 0.00 N ATOM 1256 CA VAL A 80 9.499 -3.161 18.153 1.00 0.00 C ATOM 1257 C VAL A 80 8.944 -2.312 19.291 1.00 0.00 C ATOM 1258 O VAL A 80 9.691 -1.623 19.987 1.00 0.00 O ATOM 1259 CB VAL A 80 9.000 -2.592 16.812 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.311 -1.106 16.713 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.618 -3.352 15.648 1.00 0.00 C ATOM 0 H VAL A 80 8.466 -4.903 17.606 1.00 0.00 H new ATOM 0 HA VAL A 80 10.588 -3.123 18.172 1.00 0.00 H new ATOM 0 HB VAL A 80 7.918 -2.717 16.765 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.951 -0.722 15.759 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.817 -0.576 17.527 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.388 -0.954 16.782 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.254 -2.937 14.708 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.703 -3.261 15.689 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.340 -4.404 15.712 1.00 0.00 H new ATOM 1271 N LEU A 81 7.629 -2.365 19.475 1.00 0.00 N ATOM 1272 CA LEU A 81 6.973 -1.601 20.530 1.00 0.00 C ATOM 1273 C LEU A 81 7.612 -1.884 21.886 1.00 0.00 C ATOM 1274 O LEU A 81 8.046 -0.967 22.584 1.00 0.00 O ATOM 1275 CB LEU A 81 5.481 -1.935 20.576 1.00 0.00 C ATOM 1276 CG LEU A 81 4.681 -1.608 19.315 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.283 -2.201 19.402 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.611 -0.103 19.102 1.00 0.00 C ATOM 0 H LEU A 81 6.997 -2.929 18.907 1.00 0.00 H new ATOM 0 HA LEU A 81 7.095 -0.541 20.307 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.374 -3.000 20.784 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.035 -1.400 21.414 1.00 0.00 H new ATOM 0 HG LEU A 81 5.190 -2.052 18.460 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.728 -1.958 18.496 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.353 -3.284 19.506 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.765 -1.786 20.267 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.038 0.111 18.200 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.126 0.364 19.959 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.619 0.296 18.994 1.00 0.00 H new ATOM 1290 N LEU A 82 7.667 -3.160 22.253 1.00 0.00 N ATOM 1291 CA LEU A 82 8.255 -3.565 23.525 1.00 0.00 C ATOM 1292 C LEU A 82 9.674 -3.024 23.666 1.00 0.00 C ATOM 1293 O LEU A 82 10.045 -2.490 24.711 1.00 0.00 O ATOM 1294 CB LEU A 82 8.264 -5.090 23.642 1.00 0.00 C ATOM 1295 CG LEU A 82 7.034 -5.721 24.295 1.00 0.00 C ATOM 1296 CD1 LEU A 82 7.016 -5.433 25.789 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.760 -5.212 23.637 1.00 0.00 C ATOM 0 H LEU A 82 7.312 -3.931 21.688 1.00 0.00 H new ATOM 0 HA LEU A 82 7.646 -3.149 24.328 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.376 -5.510 22.642 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.145 -5.385 24.212 1.00 0.00 H new ATOM 0 HG LEU A 82 7.085 -6.801 24.154 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.134 -5.890 26.237 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.913 -5.847 26.250 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.989 -4.356 25.952 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.895 -5.672 24.115 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.702 -4.129 23.746 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.769 -5.470 22.578 1.00 0.00 H new ATOM 1309 N SER A 83 10.463 -3.164 22.605 1.00 0.00 N ATOM 1310 CA SER A 83 11.843 -2.691 22.611 1.00 0.00 C ATOM 1311 C SER A 83 11.897 -1.179 22.807 1.00 0.00 C ATOM 1312 O SER A 83 12.690 -0.673 23.602 1.00 0.00 O ATOM 1313 CB SER A 83 12.540 -3.073 21.304 1.00 0.00 C ATOM 1314 OG SER A 83 13.926 -2.783 21.363 1.00 0.00 O ATOM 0 H SER A 83 10.171 -3.601 21.731 1.00 0.00 H new ATOM 0 HA SER A 83 12.362 -3.167 23.443 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.395 -4.135 21.108 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.087 -2.531 20.474 1.00 0.00 H new ATOM 0 HG SER A 83 14.350 -3.037 20.517 1.00 0.00 H new ATOM 1320 N HIS A 84 11.049 -0.462 22.076 1.00 0.00 N ATOM 1321 CA HIS A 84 11.000 0.992 22.169 1.00 0.00 C ATOM 1322 C HIS A 84 10.617 1.434 23.579 1.00 0.00 C ATOM 1323 O HIS A 84 11.358 2.170 24.232 1.00 0.00 O ATOM 1324 CB HIS A 84 10.001 1.555 21.158 1.00 0.00 C ATOM 1325 CG HIS A 84 10.169 3.022 20.903 1.00 0.00 C ATOM 1326 ND1 HIS A 84 11.024 3.687 20.091 1.00 0.00 N flip ATOM 1327 CD2 HIS A 84 9.402 3.986 21.522 1.00 0.00 C flip ATOM 1328 CE1 HIS A 84 10.760 5.027 20.233 1.00 0.00 C flip ATOM 1329 NE2 HIS A 84 9.776 5.181 21.101 1.00 0.00 N flip ATOM 0 H HIS A 84 10.387 -0.865 21.413 1.00 0.00 H new ATOM 0 HA HIS A 84 11.993 1.379 21.942 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.107 1.016 20.216 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.989 1.371 21.518 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.618 3.794 22.239 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.274 5.826 19.718 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.374 6.071 21.396 1.00 0.00 H new ATOM 1337 N LEU A 85 9.458 0.981 24.041 1.00 0.00 N ATOM 1338 CA LEU A 85 8.976 1.329 25.374 1.00 0.00 C ATOM 1339 C LEU A 85 9.975 0.899 26.443 1.00 0.00 C ATOM 1340 O LEU A 85 10.134 1.569 27.463 1.00 0.00 O ATOM 1341 CB LEU A 85 7.618 0.675 25.634 1.00 0.00 C ATOM 1342 CG LEU A 85 6.530 1.589 26.198 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.496 1.910 25.130 1.00 0.00 C ATOM 1344 CD2 LEU A 85 5.867 0.946 27.408 1.00 0.00 C ATOM 0 H LEU A 85 8.833 0.372 23.513 1.00 0.00 H new ATOM 0 HA LEU A 85 8.865 2.412 25.422 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.257 0.249 24.698 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.763 -0.154 26.327 1.00 0.00 H new ATOM 0 HG LEU A 85 6.995 2.522 26.516 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.730 2.562 25.550 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.981 2.413 24.293 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.035 0.986 24.780 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.095 1.611 27.796 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.416 -0.002 27.115 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.615 0.768 28.181 1.00 0.00 H new ATOM 1356 N SER A 86 10.646 -0.223 26.202 1.00 0.00 N ATOM 1357 CA SER A 86 11.628 -0.744 27.145 1.00 0.00 C ATOM 1358 C SER A 86 12.644 0.330 27.520 1.00 0.00 C ATOM 1359 O SER A 86 13.115 0.386 28.657 1.00 0.00 O ATOM 1360 CB SER A 86 12.347 -1.956 26.549 1.00 0.00 C ATOM 1361 OG SER A 86 13.725 -1.944 26.878 1.00 0.00 O ATOM 0 H SER A 86 10.527 -0.789 25.361 1.00 0.00 H new ATOM 0 HA SER A 86 11.100 -1.052 28.048 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.889 -2.873 26.920 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.229 -1.956 25.465 1.00 0.00 H new ATOM 0 HG SER A 86 14.162 -2.729 26.487 1.00 0.00 H new ATOM 1367 N TYR A 87 12.978 1.182 26.557 1.00 0.00 N ATOM 1368 CA TYR A 87 13.940 2.254 26.784 1.00 0.00 C ATOM 1369 C TYR A 87 13.273 3.452 27.454 1.00 0.00 C ATOM 1370 O TYR A 87 13.707 3.908 28.513 1.00 0.00 O ATOM 1371 CB TYR A 87 14.576 2.685 25.462 1.00 0.00 C ATOM 1372 CG TYR A 87 15.478 3.892 25.589 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.751 3.778 26.135 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.057 5.146 25.163 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.578 4.879 26.254 1.00 0.00 C ATOM 1376 CE2 TYR A 87 15.878 6.251 25.277 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.137 6.113 25.823 1.00 0.00 C ATOM 1378 OH TYR A 87 17.957 7.211 25.939 1.00 0.00 O ATOM 0 H TYR A 87 12.597 1.151 25.611 1.00 0.00 H new ATOM 0 HA TYR A 87 14.717 1.875 27.448 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.152 1.853 25.057 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.787 2.906 24.744 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.100 2.813 26.472 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.072 5.258 24.736 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.564 4.774 26.682 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.536 7.218 24.940 1.00 0.00 H new ATOM 0 HH TYR A 87 17.496 8.002 25.588 1.00 0.00 H new ATOM 1388 N LEU A 88 12.214 3.956 26.831 1.00 0.00 N ATOM 1389 CA LEU A 88 11.485 5.101 27.366 1.00 0.00 C ATOM 1390 C LEU A 88 11.094 4.866 28.821 1.00 0.00 C ATOM 1391 O LEU A 88 11.018 5.805 29.613 1.00 0.00 O ATOM 1392 CB LEU A 88 10.234 5.371 26.527 1.00 0.00 C ATOM 1393 CG LEU A 88 10.460 6.087 25.196 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.084 5.142 24.181 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.151 6.653 24.665 1.00 0.00 C ATOM 0 H LEU A 88 11.841 3.590 25.955 1.00 0.00 H new ATOM 0 HA LEU A 88 12.140 5.971 27.321 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.744 4.419 26.326 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.542 5.966 27.124 1.00 0.00 H new ATOM 0 HG LEU A 88 11.149 6.915 25.364 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.238 5.669 23.239 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.043 4.785 24.558 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.420 4.293 24.017 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.332 7.159 23.717 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.439 5.842 24.513 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.744 7.364 25.384 1.00 0.00 H new