USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 480 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 31 SER OG : rot 64:sc= 0.23 USER MOD Set 1.2: B 31 SER OG : rot -162:sc= 0.244 USER MOD Set 2.1: A 21 CYS SG : rot -44:sc= -3.64! USER MOD Set 2.2: B 21 CYS SG : rot -41:sc= -5.14! USER MOD Single : A 15 THR OG1 : rot -29:sc= 0.453 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -10.1! C(o=-10!,f=-30!) USER MOD Single : A 27 GLN : amide:sc= -1.44! K(o=-1.4!,f=-0.35) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot -121:sc= -0.83! USER MOD Single : A 38 CYS SG : rot 17:sc= -16! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.4) USER MOD Single : B 15 THR OG1 : rot -40:sc= 0.601 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 23 ASN : amide:sc= -10.8! C(o=-11!,f=-30!) USER MOD Single : B 27 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.32) USER MOD Single : B 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 TYR OH : rot -123:sc= -1.57! USER MOD Single : B 38 CYS SG : rot 5:sc= -16.1! USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 245 N THR A 15 -3.548 1.539 1.607 1.00 0.00 N ATOM 246 CA THR A 15 -2.702 0.944 2.679 1.00 0.00 C ATOM 247 C THR A 15 -2.721 -0.588 2.603 1.00 0.00 C ATOM 248 O THR A 15 -3.698 -1.219 2.953 1.00 0.00 O ATOM 249 CB THR A 15 -3.324 1.437 3.982 1.00 0.00 C ATOM 250 OG1 THR A 15 -4.726 1.201 3.961 1.00 0.00 O ATOM 251 CG2 THR A 15 -3.053 2.934 4.126 1.00 0.00 C ATOM 0 HA THR A 15 -1.656 1.236 2.589 1.00 0.00 H new ATOM 0 HB THR A 15 -2.887 0.903 4.826 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.047 1.219 3.035 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.494 3.296 5.055 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.977 3.109 4.143 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.494 3.466 3.283 1.00 0.00 H new ATOM 259 N SER A 16 -1.647 -1.190 2.144 1.00 0.00 N ATOM 260 CA SER A 16 -1.607 -2.684 2.049 1.00 0.00 C ATOM 261 C SER A 16 -1.770 -3.291 3.479 1.00 0.00 C ATOM 262 O SER A 16 -2.783 -2.999 4.084 1.00 0.00 O ATOM 263 CB SER A 16 -0.290 -2.988 1.332 1.00 0.00 C ATOM 264 OG SER A 16 -0.327 -2.407 0.035 1.00 0.00 O ATOM 0 H SER A 16 -0.801 -0.713 1.833 1.00 0.00 H new ATOM 0 HA SER A 16 -2.418 -3.140 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.550 -2.588 1.900 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.141 -4.065 1.258 1.00 0.00 H new ATOM 0 HG SER A 16 0.514 -2.595 -0.432 1.00 0.00 H new ATOM 270 N PRO A 17 -0.866 -4.109 4.052 1.00 0.00 N ATOM 271 CA PRO A 17 0.425 -4.605 3.531 1.00 0.00 C ATOM 272 C PRO A 17 0.334 -6.103 3.250 1.00 0.00 C ATOM 273 O PRO A 17 1.256 -6.830 3.563 1.00 0.00 O ATOM 274 CB PRO A 17 1.311 -4.466 4.766 1.00 0.00 C ATOM 275 CG PRO A 17 0.376 -4.533 5.933 1.00 0.00 C ATOM 276 CD PRO A 17 -1.002 -4.673 5.371 1.00 0.00 C ATOM 0 HA PRO A 17 0.751 -4.092 2.626 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.052 -5.264 4.810 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.858 -3.523 4.754 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.620 -5.379 6.576 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.455 -3.634 6.545 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.320 -5.715 5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.739 -4.135 5.967 1.00 0.00 H new ATOM 284 N PRO A 18 -0.774 -6.547 2.733 1.00 0.00 N ATOM 285 CA PRO A 18 -0.935 -7.993 2.512 1.00 0.00 C ATOM 286 C PRO A 18 0.131 -8.558 1.554 1.00 0.00 C ATOM 287 O PRO A 18 0.576 -9.672 1.755 1.00 0.00 O ATOM 288 CB PRO A 18 -2.380 -8.122 2.042 1.00 0.00 C ATOM 289 CG PRO A 18 -2.732 -6.787 1.485 1.00 0.00 C ATOM 290 CD PRO A 18 -1.954 -5.788 2.299 1.00 0.00 C ATOM 0 HA PRO A 18 -0.768 -8.599 3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.480 -8.902 1.287 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.040 -8.390 2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.469 -6.722 0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.804 -6.602 1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.676 -4.917 1.706 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.532 -5.424 3.148 1.00 0.00 H new ATOM 298 N PRO A 19 0.584 -7.782 0.592 1.00 0.00 N ATOM 299 CA PRO A 19 1.673 -8.275 -0.278 1.00 0.00 C ATOM 300 C PRO A 19 2.968 -8.167 0.532 1.00 0.00 C ATOM 301 O PRO A 19 3.753 -7.258 0.355 1.00 0.00 O ATOM 302 CB PRO A 19 1.670 -7.311 -1.458 1.00 0.00 C ATOM 303 CG PRO A 19 1.068 -6.051 -0.927 1.00 0.00 C ATOM 304 CD PRO A 19 0.155 -6.430 0.214 1.00 0.00 C ATOM 0 HA PRO A 19 1.567 -9.305 -0.619 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.680 -7.139 -1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.087 -7.707 -2.290 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.846 -5.369 -0.585 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.511 -5.533 -1.708 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.252 -5.735 1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.891 -6.416 -0.093 1.00 0.00 H new ATOM 312 N GLU A 20 3.143 -9.061 1.468 1.00 0.00 N ATOM 313 CA GLU A 20 4.331 -9.029 2.381 1.00 0.00 C ATOM 314 C GLU A 20 5.680 -9.024 1.650 1.00 0.00 C ATOM 315 O GLU A 20 6.524 -9.848 1.919 1.00 0.00 O ATOM 316 CB GLU A 20 4.209 -10.303 3.222 1.00 0.00 C ATOM 317 CG GLU A 20 3.835 -11.491 2.330 1.00 0.00 C ATOM 318 CD GLU A 20 2.568 -12.155 2.870 1.00 0.00 C ATOM 319 OE1 GLU A 20 1.588 -11.453 3.056 1.00 0.00 O ATOM 320 OE2 GLU A 20 2.600 -13.355 3.091 1.00 0.00 O ATOM 0 H GLU A 20 2.499 -9.832 1.645 1.00 0.00 H new ATOM 0 HA GLU A 20 4.324 -8.107 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.152 -10.503 3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.452 -10.167 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.674 -11.154 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.653 -12.211 2.303 1.00 0.00 H new ATOM 327 N CYS A 21 5.933 -8.089 0.781 1.00 0.00 N ATOM 328 CA CYS A 21 7.287 -8.076 0.142 1.00 0.00 C ATOM 329 C CYS A 21 8.280 -7.411 1.105 1.00 0.00 C ATOM 330 O CYS A 21 9.442 -7.761 1.150 1.00 0.00 O ATOM 331 CB CYS A 21 7.241 -7.335 -1.221 1.00 0.00 C ATOM 332 SG CYS A 21 5.688 -6.434 -1.482 1.00 0.00 S ATOM 0 H CYS A 21 5.289 -7.354 0.489 1.00 0.00 H new ATOM 0 HA CYS A 21 7.612 -9.097 -0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.075 -6.635 -1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.376 -8.057 -2.026 1.00 0.00 H new ATOM 0 HG CYS A 21 4.688 -7.178 -1.113 1.00 0.00 H new ATOM 338 N ILE A 22 7.825 -6.460 1.888 1.00 0.00 N ATOM 339 CA ILE A 22 8.741 -5.785 2.863 1.00 0.00 C ATOM 340 C ILE A 22 8.921 -6.644 4.105 1.00 0.00 C ATOM 341 O ILE A 22 10.017 -6.942 4.517 1.00 0.00 O ATOM 342 CB ILE A 22 8.051 -4.491 3.298 1.00 0.00 C ATOM 343 CG1 ILE A 22 7.681 -3.582 2.116 1.00 0.00 C ATOM 344 CG2 ILE A 22 8.976 -3.731 4.238 1.00 0.00 C ATOM 345 CD1 ILE A 22 8.278 -4.088 0.794 1.00 0.00 C ATOM 0 H ILE A 22 6.862 -6.123 1.894 1.00 0.00 H new ATOM 0 HA ILE A 22 9.712 -5.611 2.400 1.00 0.00 H new ATOM 0 HB ILE A 22 7.121 -4.770 3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.596 -3.527 2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.037 -2.570 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.493 -2.806 4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.191 -4.345 5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.907 -3.496 3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.992 -3.416 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.365 -4.118 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.902 -5.089 0.584 1.00 0.00 H new ATOM 357 N ASN A 23 7.848 -7.013 4.736 1.00 0.00 N ATOM 358 CA ASN A 23 7.991 -7.828 5.973 1.00 0.00 C ATOM 359 C ASN A 23 8.594 -9.184 5.629 1.00 0.00 C ATOM 360 O ASN A 23 9.564 -9.600 6.227 1.00 0.00 O ATOM 361 CB ASN A 23 6.591 -7.981 6.557 1.00 0.00 C ATOM 362 CG ASN A 23 5.727 -8.822 5.629 1.00 0.00 C ATOM 363 OD1 ASN A 23 5.770 -8.653 4.431 1.00 0.00 O ATOM 364 ND2 ASN A 23 4.942 -9.730 6.139 1.00 0.00 N ATOM 0 H ASN A 23 6.892 -6.792 4.458 1.00 0.00 H new ATOM 0 HA ASN A 23 8.654 -7.353 6.696 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.647 -8.451 7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.138 -7.000 6.698 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.360 -10.303 5.528 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.910 -9.868 7.149 1.00 0.00 H new ATOM 371 N ASP A 24 8.080 -9.861 4.639 1.00 0.00 N ATOM 372 CA ASP A 24 8.693 -11.159 4.268 1.00 0.00 C ATOM 373 C ASP A 24 10.144 -10.880 3.943 1.00 0.00 C ATOM 374 O ASP A 24 10.997 -11.744 3.994 1.00 0.00 O ATOM 375 CB ASP A 24 7.938 -11.636 3.030 1.00 0.00 C ATOM 376 CG ASP A 24 8.223 -13.121 2.795 1.00 0.00 C ATOM 377 OD1 ASP A 24 8.953 -13.696 3.586 1.00 0.00 O ATOM 378 OD2 ASP A 24 7.707 -13.657 1.828 1.00 0.00 O ATOM 0 H ASP A 24 7.275 -9.575 4.081 1.00 0.00 H new ATOM 0 HA ASP A 24 8.641 -11.915 5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.868 -11.477 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.242 -11.055 2.160 1.00 0.00 H new ATOM 383 N LEU A 25 10.425 -9.646 3.631 1.00 0.00 N ATOM 384 CA LEU A 25 11.805 -9.253 3.326 1.00 0.00 C ATOM 385 C LEU A 25 12.526 -8.943 4.609 1.00 0.00 C ATOM 386 O LEU A 25 13.536 -9.521 4.960 1.00 0.00 O ATOM 387 CB LEU A 25 11.685 -7.961 2.508 1.00 0.00 C ATOM 388 CG LEU A 25 12.872 -7.010 2.802 1.00 0.00 C ATOM 389 CD1 LEU A 25 13.859 -7.023 1.654 1.00 0.00 C ATOM 390 CD2 LEU A 25 12.358 -5.594 3.021 1.00 0.00 C ATOM 0 H LEU A 25 9.740 -8.892 3.577 1.00 0.00 H new ATOM 0 HA LEU A 25 12.347 -10.037 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.659 -8.200 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.746 -7.461 2.745 1.00 0.00 H new ATOM 0 HG LEU A 25 13.379 -7.355 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.686 -6.349 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.242 -8.034 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.361 -6.695 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.197 -4.930 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.837 -5.253 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.671 -5.583 3.867 1.00 0.00 H new ATOM 402 N LEU A 26 12.022 -7.948 5.259 1.00 0.00 N ATOM 403 CA LEU A 26 12.640 -7.453 6.468 1.00 0.00 C ATOM 404 C LEU A 26 12.459 -8.445 7.604 1.00 0.00 C ATOM 405 O LEU A 26 13.012 -8.293 8.674 1.00 0.00 O ATOM 406 CB LEU A 26 11.910 -6.151 6.720 1.00 0.00 C ATOM 407 CG LEU A 26 12.173 -5.720 8.130 1.00 0.00 C ATOM 408 CD1 LEU A 26 13.651 -5.404 8.258 1.00 0.00 C ATOM 409 CD2 LEU A 26 11.344 -4.479 8.454 1.00 0.00 C ATOM 0 H LEU A 26 11.177 -7.450 4.979 1.00 0.00 H new ATOM 0 HA LEU A 26 13.718 -7.311 6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.249 -5.386 6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.840 -6.280 6.557 1.00 0.00 H new ATOM 0 HG LEU A 26 11.897 -6.512 8.826 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.868 -5.087 9.278 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.235 -6.294 8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.913 -4.604 7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.539 -4.169 9.481 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.616 -3.672 7.774 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.285 -4.709 8.339 1.00 0.00 H new ATOM 421 N GLN A 27 11.729 -9.490 7.361 1.00 0.00 N ATOM 422 CA GLN A 27 11.560 -10.516 8.395 1.00 0.00 C ATOM 423 C GLN A 27 12.905 -11.207 8.582 1.00 0.00 C ATOM 424 O GLN A 27 13.075 -12.045 9.445 1.00 0.00 O ATOM 425 CB GLN A 27 10.549 -11.475 7.801 1.00 0.00 C ATOM 426 CG GLN A 27 9.145 -11.051 8.233 1.00 0.00 C ATOM 427 CD GLN A 27 8.571 -12.062 9.225 1.00 0.00 C ATOM 428 OE1 GLN A 27 7.817 -11.704 10.108 1.00 0.00 O ATOM 429 NE2 GLN A 27 8.895 -13.317 9.114 1.00 0.00 N ATOM 0 H GLN A 27 11.243 -9.671 6.483 1.00 0.00 H new ATOM 0 HA GLN A 27 11.232 -10.132 9.361 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.624 -11.475 6.714 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.754 -12.492 8.135 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.180 -10.062 8.690 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.495 -10.977 7.361 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.528 -13.617 8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.516 -14.001 9.769 1.00 0.00 H new ATOM 438 N ALA A 28 13.860 -10.876 7.741 1.00 0.00 N ATOM 439 CA ALA A 28 15.179 -11.528 7.832 1.00 0.00 C ATOM 440 C ALA A 28 16.338 -10.521 7.966 1.00 0.00 C ATOM 441 O ALA A 28 17.426 -10.910 8.339 1.00 0.00 O ATOM 442 CB ALA A 28 15.297 -12.299 6.521 1.00 0.00 C ATOM 0 H ALA A 28 13.769 -10.181 7.000 1.00 0.00 H new ATOM 0 HA ALA A 28 15.249 -12.156 8.720 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.252 -12.823 6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.484 -13.022 6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.238 -11.604 5.684 1.00 0.00 H new ATOM 448 N VAL A 29 16.172 -9.244 7.665 1.00 0.00 N ATOM 449 CA VAL A 29 17.356 -8.350 7.807 1.00 0.00 C ATOM 450 C VAL A 29 17.200 -7.416 8.998 1.00 0.00 C ATOM 451 O VAL A 29 17.953 -6.479 9.157 1.00 0.00 O ATOM 452 CB VAL A 29 17.485 -7.601 6.465 1.00 0.00 C ATOM 453 CG1 VAL A 29 16.106 -7.345 5.861 1.00 0.00 C ATOM 454 CG2 VAL A 29 18.199 -6.263 6.666 1.00 0.00 C ATOM 0 H VAL A 29 15.308 -8.808 7.343 1.00 0.00 H new ATOM 0 HA VAL A 29 18.268 -8.910 8.012 1.00 0.00 H new ATOM 0 HB VAL A 29 18.067 -8.224 5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.216 -6.816 4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.602 -8.296 5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.514 -6.740 6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 29 18.282 -5.747 5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.629 -5.647 7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 29 19.196 -6.440 7.070 1.00 0.00 H new ATOM 464 N ASP A 30 16.273 -7.692 9.868 1.00 0.00 N ATOM 465 CA ASP A 30 16.130 -6.832 11.071 1.00 0.00 C ATOM 466 C ASP A 30 16.232 -5.379 10.673 1.00 0.00 C ATOM 467 O ASP A 30 17.315 -4.836 10.576 1.00 0.00 O ATOM 468 CB ASP A 30 17.335 -7.199 11.918 1.00 0.00 C ATOM 469 CG ASP A 30 16.966 -8.317 12.895 1.00 0.00 C ATOM 470 OD1 ASP A 30 16.395 -8.008 13.929 1.00 0.00 O ATOM 471 OD2 ASP A 30 17.258 -9.463 12.594 1.00 0.00 O ATOM 0 H ASP A 30 15.614 -8.468 9.800 1.00 0.00 H new ATOM 0 HA ASP A 30 15.178 -6.973 11.583 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.156 -7.521 11.277 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.684 -6.325 12.468 1.00 0.00 H new ATOM 476 N SER A 31 15.153 -4.732 10.401 1.00 0.00 N ATOM 477 CA SER A 31 15.307 -3.345 9.966 1.00 0.00 C ATOM 478 C SER A 31 13.967 -2.623 10.045 1.00 0.00 C ATOM 479 O SER A 31 13.392 -2.226 9.051 1.00 0.00 O ATOM 480 CB SER A 31 15.821 -3.559 8.542 1.00 0.00 C ATOM 481 OG SER A 31 16.865 -2.644 8.274 1.00 0.00 O ATOM 0 H SER A 31 14.200 -5.091 10.459 1.00 0.00 H new ATOM 0 HA SER A 31 15.970 -2.716 10.561 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.180 -4.581 8.424 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.010 -3.421 7.827 1.00 0.00 H new ATOM 0 HG SER A 31 17.621 -2.826 8.871 1.00 0.00 H new ATOM 487 N GLN A 32 13.469 -2.462 11.239 1.00 0.00 N ATOM 488 CA GLN A 32 12.161 -1.786 11.426 1.00 0.00 C ATOM 489 C GLN A 32 12.110 -0.507 10.603 1.00 0.00 C ATOM 490 O GLN A 32 11.058 -0.032 10.258 1.00 0.00 O ATOM 491 CB GLN A 32 12.102 -1.470 12.918 1.00 0.00 C ATOM 492 CG GLN A 32 10.682 -1.704 13.435 1.00 0.00 C ATOM 493 CD GLN A 32 10.744 -2.307 14.834 1.00 0.00 C ATOM 494 OE1 GLN A 32 10.826 -1.597 15.815 1.00 0.00 O ATOM 495 NE2 GLN A 32 10.707 -3.602 14.967 1.00 0.00 N ATOM 0 H GLN A 32 13.919 -2.774 12.100 1.00 0.00 H new ATOM 0 HA GLN A 32 11.321 -2.401 11.103 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.806 -2.100 13.462 1.00 0.00 H new ATOM 0 HB3 GLN A 32 12.398 -0.436 13.093 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.132 -0.763 13.457 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.144 -2.372 12.763 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.638 -4.198 14.142 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.747 -4.021 15.896 1.00 0.00 H new ATOM 504 N GLU A 33 13.233 0.047 10.263 1.00 0.00 N ATOM 505 CA GLU A 33 13.204 1.282 9.439 1.00 0.00 C ATOM 506 C GLU A 33 12.579 0.962 8.085 1.00 0.00 C ATOM 507 O GLU A 33 11.946 1.793 7.466 1.00 0.00 O ATOM 508 CB GLU A 33 14.661 1.686 9.274 1.00 0.00 C ATOM 509 CG GLU A 33 15.330 1.765 10.648 1.00 0.00 C ATOM 510 CD GLU A 33 16.319 2.932 10.666 1.00 0.00 C ATOM 511 OE1 GLU A 33 16.523 3.528 9.621 1.00 0.00 O ATOM 512 OE2 GLU A 33 16.857 3.211 11.726 1.00 0.00 O ATOM 0 H GLU A 33 14.160 -0.295 10.515 1.00 0.00 H new ATOM 0 HA GLU A 33 12.619 2.081 9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.181 0.962 8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.727 2.650 8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.577 1.900 11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 33 15.848 0.831 10.866 1.00 0.00 H new ATOM 519 N VAL A 34 12.742 -0.251 7.629 1.00 0.00 N ATOM 520 CA VAL A 34 12.144 -0.644 6.326 1.00 0.00 C ATOM 521 C VAL A 34 10.646 -0.900 6.535 1.00 0.00 C ATOM 522 O VAL A 34 9.823 -0.513 5.730 1.00 0.00 O ATOM 523 CB VAL A 34 12.926 -1.907 5.900 1.00 0.00 C ATOM 524 CG1 VAL A 34 11.978 -3.030 5.483 1.00 0.00 C ATOM 525 CG2 VAL A 34 13.821 -1.556 4.711 1.00 0.00 C ATOM 0 H VAL A 34 13.265 -0.986 8.105 1.00 0.00 H new ATOM 0 HA VAL A 34 12.216 0.116 5.548 1.00 0.00 H new ATOM 0 HB VAL A 34 13.519 -2.248 6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.558 -3.905 5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.330 -3.289 6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.369 -2.699 4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.378 -2.440 4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.205 -1.207 3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.519 -0.770 5.000 1.00 0.00 H new ATOM 535 N ARG A 35 10.283 -1.510 7.631 1.00 0.00 N ATOM 536 CA ARG A 35 8.842 -1.739 7.911 1.00 0.00 C ATOM 537 C ARG A 35 8.244 -0.430 8.406 1.00 0.00 C ATOM 538 O ARG A 35 7.217 0.022 7.939 1.00 0.00 O ATOM 539 CB ARG A 35 8.826 -2.761 9.025 1.00 0.00 C ATOM 540 CG ARG A 35 8.175 -4.057 8.549 1.00 0.00 C ATOM 541 CD ARG A 35 7.322 -4.613 9.683 1.00 0.00 C ATOM 542 NE ARG A 35 6.553 -5.735 9.080 1.00 0.00 N ATOM 543 CZ ARG A 35 6.673 -6.940 9.565 1.00 0.00 C ATOM 544 NH1 ARG A 35 7.819 -7.335 10.047 1.00 0.00 N ATOM 545 NH2 ARG A 35 5.646 -7.747 9.569 1.00 0.00 N ATOM 0 H ARG A 35 10.925 -1.859 8.343 1.00 0.00 H new ATOM 0 HA ARG A 35 8.278 -2.076 7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.844 -2.960 9.360 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.280 -2.366 9.882 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.560 -3.871 7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.937 -4.780 8.259 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.943 -4.960 10.509 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.655 -3.850 10.085 1.00 0.00 H new ATOM 0 HE ARG A 35 5.933 -5.562 8.289 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.619 -6.702 10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.915 -8.277 10.427 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.751 -7.435 9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.739 -8.689 9.948 1.00 0.00 H new ATOM 559 N ASP A 36 8.920 0.207 9.327 1.00 0.00 N ATOM 560 CA ASP A 36 8.436 1.514 9.827 1.00 0.00 C ATOM 561 C ASP A 36 8.264 2.396 8.610 1.00 0.00 C ATOM 562 O ASP A 36 7.443 3.288 8.558 1.00 0.00 O ATOM 563 CB ASP A 36 9.551 2.046 10.731 1.00 0.00 C ATOM 564 CG ASP A 36 9.014 3.202 11.578 1.00 0.00 C ATOM 565 OD1 ASP A 36 7.815 3.426 11.549 1.00 0.00 O ATOM 566 OD2 ASP A 36 9.814 3.844 12.241 1.00 0.00 O ATOM 0 H ASP A 36 9.786 -0.127 9.750 1.00 0.00 H new ATOM 0 HA ASP A 36 7.496 1.466 10.377 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.921 1.250 11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.393 2.384 10.127 1.00 0.00 H new ATOM 571 N TYR A 37 9.031 2.089 7.606 1.00 0.00 N ATOM 572 CA TYR A 37 8.956 2.810 6.335 1.00 0.00 C ATOM 573 C TYR A 37 7.758 2.258 5.574 1.00 0.00 C ATOM 574 O TYR A 37 6.883 2.976 5.148 1.00 0.00 O ATOM 575 CB TYR A 37 10.268 2.455 5.643 1.00 0.00 C ATOM 576 CG TYR A 37 10.068 2.532 4.158 1.00 0.00 C ATOM 577 CD1 TYR A 37 9.464 1.463 3.499 1.00 0.00 C ATOM 578 CD2 TYR A 37 10.419 3.688 3.457 1.00 0.00 C ATOM 579 CE1 TYR A 37 9.199 1.541 2.139 1.00 0.00 C ATOM 580 CE2 TYR A 37 10.169 3.767 2.084 1.00 0.00 C ATOM 581 CZ TYR A 37 9.553 2.697 1.424 1.00 0.00 C ATOM 582 OH TYR A 37 9.284 2.787 0.073 1.00 0.00 O ATOM 0 H TYR A 37 9.725 1.342 7.627 1.00 0.00 H new ATOM 0 HA TYR A 37 8.832 3.890 6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.056 3.141 5.954 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.587 1.453 5.929 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.201 0.571 4.048 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.881 4.517 3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.722 0.715 1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.451 4.652 1.533 1.00 0.00 H new ATOM 0 HH TYR A 37 10.119 2.933 -0.418 1.00 0.00 H new ATOM 592 N CYS A 38 7.713 0.968 5.439 1.00 0.00 N ATOM 593 CA CYS A 38 6.589 0.319 4.733 1.00 0.00 C ATOM 594 C CYS A 38 5.267 0.833 5.302 1.00 0.00 C ATOM 595 O CYS A 38 4.400 1.276 4.580 1.00 0.00 O ATOM 596 CB CYS A 38 6.804 -1.161 5.028 1.00 0.00 C ATOM 597 SG CYS A 38 5.775 -2.175 3.950 1.00 0.00 S ATOM 0 H CYS A 38 8.422 0.327 5.795 1.00 0.00 H new ATOM 0 HA CYS A 38 6.551 0.519 3.662 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.854 -1.418 4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.564 -1.369 6.071 1.00 0.00 H new ATOM 0 HG CYS A 38 5.359 -1.459 2.948 1.00 0.00 H new ATOM 603 N GLU A 39 5.119 0.819 6.594 1.00 0.00 N ATOM 604 CA GLU A 39 3.874 1.351 7.194 1.00 0.00 C ATOM 605 C GLU A 39 3.913 2.872 7.098 1.00 0.00 C ATOM 606 O GLU A 39 2.920 3.542 7.302 1.00 0.00 O ATOM 607 CB GLU A 39 3.915 0.903 8.650 1.00 0.00 C ATOM 608 CG GLU A 39 5.232 1.379 9.262 1.00 0.00 C ATOM 609 CD GLU A 39 4.950 2.411 10.354 1.00 0.00 C ATOM 610 OE1 GLU A 39 4.231 2.082 11.283 1.00 0.00 O ATOM 611 OE2 GLU A 39 5.460 3.514 10.244 1.00 0.00 O ATOM 0 H GLU A 39 5.806 0.462 7.258 1.00 0.00 H new ATOM 0 HA GLU A 39 2.968 1.001 6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.070 1.318 9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.836 -0.182 8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.777 0.533 9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.866 1.816 8.490 1.00 0.00 H new ATOM 618 N LYS A 40 5.045 3.423 6.730 1.00 0.00 N ATOM 619 CA LYS A 40 5.112 4.889 6.563 1.00 0.00 C ATOM 620 C LYS A 40 4.655 5.150 5.153 1.00 0.00 C ATOM 621 O LYS A 40 4.036 6.144 4.830 1.00 0.00 O ATOM 622 CB LYS A 40 6.578 5.291 6.707 1.00 0.00 C ATOM 623 CG LYS A 40 6.725 6.773 6.371 1.00 0.00 C ATOM 624 CD LYS A 40 8.113 7.245 6.796 1.00 0.00 C ATOM 625 CE LYS A 40 8.836 7.856 5.592 1.00 0.00 C ATOM 626 NZ LYS A 40 8.554 9.320 5.663 1.00 0.00 N ATOM 0 H LYS A 40 5.911 2.918 6.542 1.00 0.00 H new ATOM 0 HA LYS A 40 4.508 5.439 7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.922 5.100 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.199 4.691 6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.585 6.932 5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.957 7.353 6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.029 7.981 7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.688 6.408 7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.907 7.659 5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.472 7.430 4.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.019 9.802 4.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.527 9.479 5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.919 9.701 6.560 1.00 0.00 H new ATOM 640 N LYS A 41 4.966 4.206 4.318 1.00 0.00 N ATOM 641 CA LYS A 41 4.586 4.278 2.907 1.00 0.00 C ATOM 642 C LYS A 41 3.097 4.123 2.823 1.00 0.00 C ATOM 643 O LYS A 41 2.366 4.957 2.327 1.00 0.00 O ATOM 644 CB LYS A 41 5.195 3.039 2.296 1.00 0.00 C ATOM 645 CG LYS A 41 6.689 2.941 2.507 1.00 0.00 C ATOM 646 CD LYS A 41 7.293 4.315 2.749 1.00 0.00 C ATOM 647 CE LYS A 41 7.504 5.004 1.408 1.00 0.00 C ATOM 648 NZ LYS A 41 7.752 6.434 1.735 1.00 0.00 N ATOM 0 H LYS A 41 5.484 3.366 4.574 1.00 0.00 H new ATOM 0 HA LYS A 41 4.900 5.205 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.716 2.158 2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.985 3.029 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.899 2.292 3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.155 2.483 1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.633 4.911 3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.241 4.222 3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.349 4.571 0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.629 4.893 0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.906 6.969 0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.929 6.823 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.595 6.511 2.339 1.00 0.00 H new ATOM 662 N GLY A 42 2.664 3.021 3.351 1.00 0.00 N ATOM 663 CA GLY A 42 1.231 2.717 3.379 1.00 0.00 C ATOM 664 C GLY A 42 0.942 1.250 3.068 1.00 0.00 C ATOM 665 O GLY A 42 0.173 0.921 2.192 1.00 0.00 O ATOM 0 H GLY A 42 3.262 2.309 3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.829 2.963 4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.714 3.348 2.656 1.00 0.00 H new ATOM 669 N TRP A 43 1.511 0.372 3.835 1.00 0.00 N ATOM 670 CA TRP A 43 1.213 -1.077 3.671 1.00 0.00 C ATOM 671 C TRP A 43 0.811 -1.499 5.026 1.00 0.00 C ATOM 672 O TRP A 43 -0.212 -2.101 5.279 1.00 0.00 O ATOM 673 CB TRP A 43 2.459 -1.896 3.345 1.00 0.00 C ATOM 674 CG TRP A 43 3.407 -1.211 2.438 1.00 0.00 C ATOM 675 CD1 TRP A 43 3.620 0.103 2.410 1.00 0.00 C ATOM 676 CD2 TRP A 43 4.339 -1.784 1.464 1.00 0.00 C ATOM 677 NE1 TRP A 43 4.563 0.376 1.502 1.00 0.00 N ATOM 678 CE2 TRP A 43 5.061 -0.723 0.901 1.00 0.00 C ATOM 679 CE3 TRP A 43 4.632 -3.081 1.017 1.00 0.00 C ATOM 680 CZ2 TRP A 43 6.039 -0.903 -0.047 1.00 0.00 C ATOM 681 CZ3 TRP A 43 5.624 -3.283 0.049 1.00 0.00 C ATOM 682 CH2 TRP A 43 6.336 -2.195 -0.482 1.00 0.00 C ATOM 0 H TRP A 43 2.176 0.594 4.576 1.00 0.00 H new ATOM 0 HA TRP A 43 0.485 -1.225 2.873 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.974 -2.142 4.274 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.154 -2.839 2.891 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.112 0.833 3.023 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.875 1.323 1.285 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.092 -3.925 1.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.572 -0.055 -0.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.843 -4.284 -0.292 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.107 -2.357 -1.221 1.00 0.00 H new ATOM 693 N ILE A 44 1.665 -1.089 5.903 1.00 0.00 N ATOM 694 CA ILE A 44 1.515 -1.305 7.344 1.00 0.00 C ATOM 695 C ILE A 44 2.037 -2.661 7.756 1.00 0.00 C ATOM 696 O ILE A 44 1.775 -3.144 8.839 1.00 0.00 O ATOM 697 CB ILE A 44 0.043 -1.208 7.654 1.00 0.00 C ATOM 698 CG1 ILE A 44 -0.564 -0.030 6.909 1.00 0.00 C ATOM 699 CG2 ILE A 44 -0.110 -0.993 9.158 1.00 0.00 C ATOM 700 CD1 ILE A 44 -1.953 -0.422 6.408 1.00 0.00 C ATOM 0 H ILE A 44 2.514 -0.580 5.655 1.00 0.00 H new ATOM 0 HA ILE A 44 2.090 -0.559 7.893 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.468 -2.120 7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.631 0.837 7.566 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.072 0.254 6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.168 -0.919 9.409 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.332 -1.834 9.693 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.397 -0.072 9.447 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.397 0.417 5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.870 -1.278 5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.585 -0.686 7.256 1.00 0.00 H new ATOM 712 N VAL A 45 2.748 -3.266 6.878 1.00 0.00 N ATOM 713 CA VAL A 45 3.313 -4.615 7.134 1.00 0.00 C ATOM 714 C VAL A 45 3.595 -4.827 8.629 1.00 0.00 C ATOM 715 O VAL A 45 4.582 -4.358 9.158 1.00 0.00 O ATOM 716 CB VAL A 45 4.606 -4.626 6.335 1.00 0.00 C ATOM 717 CG1 VAL A 45 4.294 -4.715 4.838 1.00 0.00 C ATOM 718 CG2 VAL A 45 5.402 -3.352 6.625 1.00 0.00 C ATOM 0 H VAL A 45 2.975 -2.879 5.962 1.00 0.00 H new ATOM 0 HA VAL A 45 2.629 -5.413 6.846 1.00 0.00 H new ATOM 0 HB VAL A 45 5.199 -5.493 6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.226 -4.722 4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.739 -5.631 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.695 -3.855 4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.328 -3.363 6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.810 -2.481 6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.635 -3.303 7.689 1.00 0.00 H new ATOM 728 N ASN A 46 2.728 -5.526 9.315 1.00 0.00 N ATOM 729 CA ASN A 46 2.946 -5.763 10.775 1.00 0.00 C ATOM 730 C ASN A 46 2.040 -6.897 11.273 1.00 0.00 C ATOM 731 O ASN A 46 1.010 -7.182 10.696 1.00 0.00 O ATOM 732 CB ASN A 46 2.575 -4.441 11.451 1.00 0.00 C ATOM 733 CG ASN A 46 2.405 -4.660 12.955 1.00 0.00 C ATOM 734 OD1 ASN A 46 3.030 -5.526 13.531 1.00 0.00 O ATOM 735 ND2 ASN A 46 1.581 -3.897 13.620 1.00 0.00 N ATOM 0 H ASN A 46 1.880 -5.942 8.929 1.00 0.00 H new ATOM 0 HA ASN A 46 3.971 -6.060 10.995 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.351 -3.698 11.268 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.651 -4.050 11.024 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.462 -4.028 14.624 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.056 -3.169 13.135 1.00 0.00 H new ATOM 1216 N THR B 15 13.933 -15.513 -9.968 1.00 0.00 N ATOM 1217 CA THR B 15 14.610 -14.281 -9.473 1.00 0.00 C ATOM 1218 C THR B 15 13.923 -13.020 -10.022 1.00 0.00 C ATOM 1219 O THR B 15 13.963 -12.753 -11.206 1.00 0.00 O ATOM 1220 CB THR B 15 16.032 -14.402 -10.014 1.00 0.00 C ATOM 1221 OG1 THR B 15 15.988 -14.789 -11.379 1.00 0.00 O ATOM 1222 CG2 THR B 15 16.799 -15.450 -9.204 1.00 0.00 C ATOM 0 HA THR B 15 14.578 -14.192 -8.387 1.00 0.00 H new ATOM 0 HB THR B 15 16.538 -13.440 -9.929 1.00 0.00 H new ATOM 0 HG1 THR B 15 15.285 -15.460 -11.506 1.00 0.00 H new ATOM 0 HG21 THR B 15 17.815 -15.537 -9.590 1.00 0.00 H new ATOM 0 HG22 THR B 15 16.833 -15.147 -8.157 1.00 0.00 H new ATOM 0 HG23 THR B 15 16.296 -16.413 -9.287 1.00 0.00 H new ATOM 1230 N SER B 16 13.295 -12.238 -9.173 1.00 0.00 N ATOM 1231 CA SER B 16 12.617 -10.996 -9.663 1.00 0.00 C ATOM 1232 C SER B 16 13.688 -10.036 -10.270 1.00 0.00 C ATOM 1233 O SER B 16 14.358 -10.474 -11.182 1.00 0.00 O ATOM 1234 CB SER B 16 11.849 -10.467 -8.452 1.00 0.00 C ATOM 1235 OG SER B 16 10.896 -11.442 -8.050 1.00 0.00 O ATOM 0 H SER B 16 13.224 -12.406 -8.169 1.00 0.00 H new ATOM 0 HA SER B 16 11.908 -11.143 -10.478 1.00 0.00 H new ATOM 0 HB2 SER B 16 12.537 -10.252 -7.634 1.00 0.00 H new ATOM 0 HB3 SER B 16 11.349 -9.531 -8.702 1.00 0.00 H new ATOM 0 HG SER B 16 10.399 -11.113 -7.272 1.00 0.00 H new ATOM 1241 N PRO B 17 13.886 -8.774 -9.843 1.00 0.00 N ATOM 1242 CA PRO B 17 13.209 -8.022 -8.767 1.00 0.00 C ATOM 1243 C PRO B 17 12.351 -6.907 -9.362 1.00 0.00 C ATOM 1244 O PRO B 17 12.342 -5.811 -8.839 1.00 0.00 O ATOM 1245 CB PRO B 17 14.396 -7.325 -8.108 1.00 0.00 C ATOM 1246 CG PRO B 17 15.438 -7.221 -9.181 1.00 0.00 C ATOM 1247 CD PRO B 17 14.867 -7.876 -10.397 1.00 0.00 C ATOM 0 HA PRO B 17 12.584 -8.650 -8.131 1.00 0.00 H new ATOM 0 HB2 PRO B 17 14.116 -6.340 -7.734 1.00 0.00 H new ATOM 0 HB3 PRO B 17 14.764 -7.896 -7.256 1.00 0.00 H new ATOM 0 HG2 PRO B 17 15.684 -6.178 -9.382 1.00 0.00 H new ATOM 0 HG3 PRO B 17 16.361 -7.713 -8.874 1.00 0.00 H new ATOM 0 HD2 PRO B 17 14.415 -7.150 -11.073 1.00 0.00 H new ATOM 0 HD3 PRO B 17 15.629 -8.410 -10.965 1.00 0.00 H new ATOM 1255 N PRO B 18 11.711 -7.172 -10.462 1.00 0.00 N ATOM 1256 CA PRO B 18 10.937 -6.106 -11.115 1.00 0.00 C ATOM 1257 C PRO B 18 9.839 -5.540 -10.193 1.00 0.00 C ATOM 1258 O PRO B 18 9.613 -4.346 -10.211 1.00 0.00 O ATOM 1259 CB PRO B 18 10.452 -6.758 -12.407 1.00 0.00 C ATOM 1260 CG PRO B 18 10.471 -8.221 -12.136 1.00 0.00 C ATOM 1261 CD PRO B 18 11.618 -8.445 -11.187 1.00 0.00 C ATOM 0 HA PRO B 18 11.513 -5.208 -11.339 1.00 0.00 H new ATOM 0 HB2 PRO B 18 9.449 -6.419 -12.667 1.00 0.00 H new ATOM 0 HB3 PRO B 18 11.102 -6.504 -13.244 1.00 0.00 H new ATOM 0 HG2 PRO B 18 9.529 -8.550 -11.696 1.00 0.00 H new ATOM 0 HG3 PRO B 18 10.608 -8.788 -13.057 1.00 0.00 H new ATOM 0 HD2 PRO B 18 11.425 -9.279 -10.512 1.00 0.00 H new ATOM 0 HD3 PRO B 18 12.542 -8.673 -11.719 1.00 0.00 H new ATOM 1269 N PRO B 19 9.237 -6.358 -9.355 1.00 0.00 N ATOM 1270 CA PRO B 19 8.251 -5.808 -8.396 1.00 0.00 C ATOM 1271 C PRO B 19 9.048 -5.070 -7.319 1.00 0.00 C ATOM 1272 O PRO B 19 9.265 -5.572 -6.235 1.00 0.00 O ATOM 1273 CB PRO B 19 7.558 -7.042 -7.830 1.00 0.00 C ATOM 1274 CG PRO B 19 8.548 -8.146 -8.000 1.00 0.00 C ATOM 1275 CD PRO B 19 9.383 -7.812 -9.210 1.00 0.00 C ATOM 0 HA PRO B 19 7.525 -5.115 -8.821 1.00 0.00 H new ATOM 0 HB2 PRO B 19 7.297 -6.903 -6.781 1.00 0.00 H new ATOM 0 HB3 PRO B 19 6.632 -7.255 -8.364 1.00 0.00 H new ATOM 0 HG2 PRO B 19 9.175 -8.240 -7.114 1.00 0.00 H new ATOM 0 HG3 PRO B 19 8.040 -9.101 -8.134 1.00 0.00 H new ATOM 0 HD2 PRO B 19 10.426 -8.096 -9.066 1.00 0.00 H new ATOM 0 HD3 PRO B 19 9.029 -8.339 -10.096 1.00 0.00 H new ATOM 1283 N GLU B 20 9.540 -3.908 -7.655 1.00 0.00 N ATOM 1284 CA GLU B 20 10.398 -3.114 -6.717 1.00 0.00 C ATOM 1285 C GLU B 20 9.741 -2.829 -5.360 1.00 0.00 C ATOM 1286 O GLU B 20 9.665 -1.693 -4.946 1.00 0.00 O ATOM 1287 CB GLU B 20 10.655 -1.794 -7.449 1.00 0.00 C ATOM 1288 CG GLU B 20 9.359 -1.282 -8.088 1.00 0.00 C ATOM 1289 CD GLU B 20 9.566 -1.086 -9.593 1.00 0.00 C ATOM 1290 OE1 GLU B 20 10.595 -1.510 -10.091 1.00 0.00 O ATOM 1291 OE2 GLU B 20 8.690 -0.515 -10.221 1.00 0.00 O ATOM 0 H GLU B 20 9.382 -3.463 -8.559 1.00 0.00 H new ATOM 0 HA GLU B 20 11.301 -3.676 -6.479 1.00 0.00 H new ATOM 0 HB2 GLU B 20 11.043 -1.052 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU B 20 11.416 -1.937 -8.217 1.00 0.00 H new ATOM 0 HG2 GLU B 20 8.551 -1.992 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU B 20 9.062 -0.340 -7.627 1.00 0.00 H new ATOM 1298 N CYS B 21 9.315 -3.823 -4.633 1.00 0.00 N ATOM 1299 CA CYS B 21 8.743 -3.510 -3.284 1.00 0.00 C ATOM 1300 C CYS B 21 9.895 -3.321 -2.291 1.00 0.00 C ATOM 1301 O CYS B 21 9.801 -2.542 -1.366 1.00 0.00 O ATOM 1302 CB CYS B 21 7.776 -4.634 -2.828 1.00 0.00 C ATOM 1303 SG CYS B 21 7.897 -6.124 -3.856 1.00 0.00 S ATOM 0 H CYS B 21 9.333 -4.808 -4.897 1.00 0.00 H new ATOM 0 HA CYS B 21 8.163 -2.588 -3.331 1.00 0.00 H new ATOM 0 HB2 CYS B 21 7.992 -4.894 -1.792 1.00 0.00 H new ATOM 0 HB3 CYS B 21 6.752 -4.260 -2.857 1.00 0.00 H new ATOM 0 HG CYS B 21 8.007 -5.782 -5.105 1.00 0.00 H new ATOM 1309 N ILE B 22 10.992 -4.014 -2.489 1.00 0.00 N ATOM 1310 CA ILE B 22 12.157 -3.850 -1.562 1.00 0.00 C ATOM 1311 C ILE B 22 12.946 -2.605 -1.925 1.00 0.00 C ATOM 1312 O ILE B 22 13.187 -1.748 -1.111 1.00 0.00 O ATOM 1313 CB ILE B 22 13.071 -5.054 -1.778 1.00 0.00 C ATOM 1314 CG1 ILE B 22 12.356 -6.396 -1.558 1.00 0.00 C ATOM 1315 CG2 ILE B 22 14.247 -4.955 -0.815 1.00 0.00 C ATOM 1316 CD1 ILE B 22 10.937 -6.208 -1.001 1.00 0.00 C ATOM 0 H ILE B 22 11.130 -4.682 -3.247 1.00 0.00 H new ATOM 0 HA ILE B 22 11.806 -3.770 -0.533 1.00 0.00 H new ATOM 0 HB ILE B 22 13.402 -5.031 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE B 22 12.306 -6.939 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE B 22 12.938 -7.008 -0.869 1.00 0.00 H new ATOM 0 HG21 ILE B 22 14.908 -5.810 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE B 22 14.798 -4.034 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE B 22 13.878 -4.950 0.211 1.00 0.00 H new ATOM 0 HD11 ILE B 22 10.469 -7.182 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE B 22 10.988 -5.689 -0.044 1.00 0.00 H new ATOM 0 HD13 ILE B 22 10.346 -5.619 -1.702 1.00 0.00 H new ATOM 1328 N ASN B 23 13.388 -2.516 -3.140 1.00 0.00 N ATOM 1329 CA ASN B 23 14.190 -1.323 -3.521 1.00 0.00 C ATOM 1330 C ASN B 23 13.333 -0.067 -3.401 1.00 0.00 C ATOM 1331 O ASN B 23 13.720 0.886 -2.766 1.00 0.00 O ATOM 1332 CB ASN B 23 14.645 -1.543 -4.961 1.00 0.00 C ATOM 1333 CG ASN B 23 13.446 -1.519 -5.897 1.00 0.00 C ATOM 1334 OD1 ASN B 23 12.414 -2.075 -5.588 1.00 0.00 O ATOM 1335 ND2 ASN B 23 13.542 -0.890 -7.037 1.00 0.00 N ATOM 0 H ASN B 23 13.235 -3.203 -3.878 1.00 0.00 H new ATOM 0 HA ASN B 23 15.052 -1.191 -2.867 1.00 0.00 H new ATOM 0 HB2 ASN B 23 15.356 -0.769 -5.248 1.00 0.00 H new ATOM 0 HB3 ASN B 23 15.163 -2.498 -5.045 1.00 0.00 H new ATOM 0 HD21 ASN B 23 12.746 -0.864 -7.674 1.00 0.00 H new ATOM 0 HD22 ASN B 23 14.413 -0.424 -7.291 1.00 0.00 H new ATOM 1342 N ASP B 24 12.148 -0.068 -3.950 1.00 0.00 N ATOM 1343 CA ASP B 24 11.291 1.134 -3.800 1.00 0.00 C ATOM 1344 C ASP B 24 11.108 1.367 -2.314 1.00 0.00 C ATOM 1345 O ASP B 24 10.802 2.452 -1.862 1.00 0.00 O ATOM 1346 CB ASP B 24 9.963 0.783 -4.463 1.00 0.00 C ATOM 1347 CG ASP B 24 9.134 2.055 -4.660 1.00 0.00 C ATOM 1348 OD1 ASP B 24 9.571 3.099 -4.205 1.00 0.00 O ATOM 1349 OD2 ASP B 24 8.079 1.963 -5.266 1.00 0.00 O ATOM 0 H ASP B 24 11.745 -0.836 -4.486 1.00 0.00 H new ATOM 0 HA ASP B 24 11.711 2.033 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP B 24 10.141 0.301 -5.424 1.00 0.00 H new ATOM 0 HB3 ASP B 24 9.414 0.071 -3.846 1.00 0.00 H new ATOM 1354 N LEU B 25 11.325 0.335 -1.550 1.00 0.00 N ATOM 1355 CA LEU B 25 11.204 0.451 -0.092 1.00 0.00 C ATOM 1356 C LEU B 25 12.510 0.932 0.475 1.00 0.00 C ATOM 1357 O LEU B 25 12.612 1.954 1.124 1.00 0.00 O ATOM 1358 CB LEU B 25 10.946 -0.976 0.398 1.00 0.00 C ATOM 1359 CG LEU B 25 11.575 -1.209 1.793 1.00 0.00 C ATOM 1360 CD1 LEU B 25 10.495 -1.234 2.857 1.00 0.00 C ATOM 1361 CD2 LEU B 25 12.331 -2.533 1.797 1.00 0.00 C ATOM 0 H LEU B 25 11.584 -0.592 -1.889 1.00 0.00 H new ATOM 0 HA LEU B 25 10.418 1.145 0.205 1.00 0.00 H new ATOM 0 HB2 LEU B 25 9.873 -1.159 0.445 1.00 0.00 H new ATOM 0 HB3 LEU B 25 11.360 -1.689 -0.315 1.00 0.00 H new ATOM 0 HG LEU B 25 12.266 -0.395 2.011 1.00 0.00 H new ATOM 0 HD11 LEU B 25 10.950 -1.399 3.834 1.00 0.00 H new ATOM 0 HD12 LEU B 25 9.965 -0.282 2.860 1.00 0.00 H new ATOM 0 HD13 LEU B 25 9.793 -2.040 2.644 1.00 0.00 H new ATOM 0 HD21 LEU B 25 12.774 -2.696 2.780 1.00 0.00 H new ATOM 0 HD22 LEU B 25 11.642 -3.346 1.570 1.00 0.00 H new ATOM 0 HD23 LEU B 25 13.119 -2.504 1.044 1.00 0.00 H new ATOM 1373 N LEU B 26 13.496 0.127 0.275 1.00 0.00 N ATOM 1374 CA LEU B 26 14.806 0.406 0.823 1.00 0.00 C ATOM 1375 C LEU B 26 15.439 1.583 0.097 1.00 0.00 C ATOM 1376 O LEU B 26 16.464 2.099 0.495 1.00 0.00 O ATOM 1377 CB LEU B 26 15.557 -0.892 0.603 1.00 0.00 C ATOM 1378 CG LEU B 26 17.026 -0.629 0.724 1.00 0.00 C ATOM 1379 CD1 LEU B 26 17.300 -0.128 2.128 1.00 0.00 C ATOM 1380 CD2 LEU B 26 17.801 -1.920 0.465 1.00 0.00 C ATOM 0 H LEU B 26 13.433 -0.737 -0.264 1.00 0.00 H new ATOM 0 HA LEU B 26 14.799 0.695 1.874 1.00 0.00 H new ATOM 0 HB2 LEU B 26 15.246 -1.636 1.336 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.327 -1.298 -0.382 1.00 0.00 H new ATOM 0 HG LEU B 26 17.342 0.116 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU B 26 18.366 0.071 2.242 1.00 0.00 H new ATOM 0 HD12 LEU B 26 16.739 0.790 2.303 1.00 0.00 H new ATOM 0 HD13 LEU B 26 16.993 -0.884 2.851 1.00 0.00 H new ATOM 0 HD21 LEU B 26 18.870 -1.727 0.553 1.00 0.00 H new ATOM 0 HD22 LEU B 26 17.507 -2.674 1.195 1.00 0.00 H new ATOM 0 HD23 LEU B 26 17.580 -2.282 -0.539 1.00 0.00 H new ATOM 1392 N GLN B 27 14.799 2.049 -0.936 1.00 0.00 N ATOM 1393 CA GLN B 27 15.315 3.225 -1.645 1.00 0.00 C ATOM 1394 C GLN B 27 15.163 4.413 -0.704 1.00 0.00 C ATOM 1395 O GLN B 27 15.673 5.490 -0.940 1.00 0.00 O ATOM 1396 CB GLN B 27 14.395 3.372 -2.842 1.00 0.00 C ATOM 1397 CG GLN B 27 14.999 2.622 -4.025 1.00 0.00 C ATOM 1398 CD GLN B 27 15.512 3.607 -5.077 1.00 0.00 C ATOM 1399 OE1 GLN B 27 16.479 3.335 -5.761 1.00 0.00 O ATOM 1400 NE2 GLN B 27 14.903 4.746 -5.239 1.00 0.00 N ATOM 0 H GLN B 27 13.937 1.656 -1.314 1.00 0.00 H new ATOM 0 HA GLN B 27 16.358 3.151 -1.953 1.00 0.00 H new ATOM 0 HB2 GLN B 27 13.407 2.975 -2.609 1.00 0.00 H new ATOM 0 HB3 GLN B 27 14.265 4.425 -3.090 1.00 0.00 H new ATOM 0 HG2 GLN B 27 15.817 1.988 -3.682 1.00 0.00 H new ATOM 0 HG3 GLN B 27 14.250 1.965 -4.468 1.00 0.00 H new ATOM 0 HE21 GLN B 27 14.091 4.976 -4.666 1.00 0.00 H new ATOM 0 HE22 GLN B 27 15.238 5.408 -5.939 1.00 0.00 H new ATOM 1409 N ALA B 28 14.432 4.208 0.368 1.00 0.00 N ATOM 1410 CA ALA B 28 14.200 5.291 1.340 1.00 0.00 C ATOM 1411 C ALA B 28 14.893 5.001 2.677 1.00 0.00 C ATOM 1412 O ALA B 28 15.237 5.918 3.396 1.00 0.00 O ATOM 1413 CB ALA B 28 12.686 5.316 1.515 1.00 0.00 C ATOM 0 H ALA B 28 13.987 3.320 0.601 1.00 0.00 H new ATOM 0 HA ALA B 28 14.603 6.244 0.997 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.415 6.096 2.226 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.212 5.519 0.555 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.347 4.350 1.890 1.00 0.00 H new ATOM 1419 N VAL B 29 15.125 3.753 3.040 1.00 0.00 N ATOM 1420 CA VAL B 29 15.804 3.516 4.332 1.00 0.00 C ATOM 1421 C VAL B 29 17.097 2.802 4.070 1.00 0.00 C ATOM 1422 O VAL B 29 17.143 1.606 3.969 1.00 0.00 O ATOM 1423 CB VAL B 29 14.836 2.665 5.158 1.00 0.00 C ATOM 1424 CG1 VAL B 29 14.216 1.584 4.278 1.00 0.00 C ATOM 1425 CG2 VAL B 29 15.585 1.998 6.314 1.00 0.00 C ATOM 0 H VAL B 29 14.876 2.921 2.505 1.00 0.00 H new ATOM 0 HA VAL B 29 16.046 4.434 4.868 1.00 0.00 H new ATOM 0 HB VAL B 29 14.052 3.310 5.554 1.00 0.00 H new ATOM 0 HG11 VAL B 29 13.528 0.982 4.872 1.00 0.00 H new ATOM 0 HG12 VAL B 29 13.673 2.051 3.456 1.00 0.00 H new ATOM 0 HG13 VAL B 29 15.003 0.946 3.877 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.890 1.394 6.898 1.00 0.00 H new ATOM 0 HG22 VAL B 29 16.374 1.360 5.916 1.00 0.00 H new ATOM 0 HG23 VAL B 29 16.025 2.764 6.953 1.00 0.00 H new ATOM 1435 N ASP B 30 18.144 3.559 3.959 1.00 0.00 N ATOM 1436 CA ASP B 30 19.490 2.988 3.711 1.00 0.00 C ATOM 1437 C ASP B 30 19.612 1.621 4.338 1.00 0.00 C ATOM 1438 O ASP B 30 19.755 1.506 5.539 1.00 0.00 O ATOM 1439 CB ASP B 30 20.391 3.931 4.467 1.00 0.00 C ATOM 1440 CG ASP B 30 20.828 5.083 3.561 1.00 0.00 C ATOM 1441 OD1 ASP B 30 21.778 4.898 2.818 1.00 0.00 O ATOM 1442 OD2 ASP B 30 20.205 6.130 3.624 1.00 0.00 O ATOM 0 H ASP B 30 18.123 4.576 4.032 1.00 0.00 H new ATOM 0 HA ASP B 30 19.714 2.886 2.649 1.00 0.00 H new ATOM 0 HB2 ASP B 30 19.869 4.323 5.340 1.00 0.00 H new ATOM 0 HB3 ASP B 30 21.266 3.394 4.833 1.00 0.00 H new ATOM 1447 N SER B 31 19.536 0.571 3.586 1.00 0.00 N ATOM 1448 CA SER B 31 19.628 -0.722 4.260 1.00 0.00 C ATOM 1449 C SER B 31 19.970 -1.826 3.267 1.00 0.00 C ATOM 1450 O SER B 31 19.214 -2.752 3.056 1.00 0.00 O ATOM 1451 CB SER B 31 18.238 -0.839 4.871 1.00 0.00 C ATOM 1452 OG SER B 31 18.355 -1.361 6.173 1.00 0.00 O ATOM 0 H SER B 31 19.419 0.555 2.573 1.00 0.00 H new ATOM 0 HA SER B 31 20.417 -0.810 5.007 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.755 0.138 4.898 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.611 -1.488 4.260 1.00 0.00 H new ATOM 0 HG SER B 31 17.487 -1.711 6.464 1.00 0.00 H new ATOM 1458 N GLN B 32 21.129 -1.729 2.669 1.00 0.00 N ATOM 1459 CA GLN B 32 21.559 -2.759 1.690 1.00 0.00 C ATOM 1460 C GLN B 32 21.330 -4.147 2.271 1.00 0.00 C ATOM 1461 O GLN B 32 21.194 -5.105 1.556 1.00 0.00 O ATOM 1462 CB GLN B 32 23.052 -2.503 1.484 1.00 0.00 C ATOM 1463 CG GLN B 32 23.425 -2.773 0.025 1.00 0.00 C ATOM 1464 CD GLN B 32 24.462 -1.755 -0.434 1.00 0.00 C ATOM 1465 OE1 GLN B 32 25.648 -1.957 -0.268 1.00 0.00 O ATOM 1466 NE2 GLN B 32 24.062 -0.657 -1.009 1.00 0.00 N ATOM 0 H GLN B 32 21.797 -0.974 2.821 1.00 0.00 H new ATOM 0 HA GLN B 32 21.004 -2.707 0.753 1.00 0.00 H new ATOM 0 HB2 GLN B 32 23.294 -1.473 1.747 1.00 0.00 H new ATOM 0 HB3 GLN B 32 23.635 -3.146 2.143 1.00 0.00 H new ATOM 0 HG2 GLN B 32 23.821 -3.783 -0.079 1.00 0.00 H new ATOM 0 HG3 GLN B 32 22.538 -2.713 -0.605 1.00 0.00 H new ATOM 0 HE21 GLN B 32 23.066 -0.488 -1.148 1.00 0.00 H new ATOM 0 HE22 GLN B 32 24.745 0.034 -1.320 1.00 0.00 H new ATOM 1475 N GLU B 33 21.255 -4.266 3.563 1.00 0.00 N ATOM 1476 CA GLU B 33 21.000 -5.608 4.145 1.00 0.00 C ATOM 1477 C GLU B 33 19.630 -6.078 3.675 1.00 0.00 C ATOM 1478 O GLU B 33 19.371 -7.256 3.541 1.00 0.00 O ATOM 1479 CB GLU B 33 21.010 -5.404 5.654 1.00 0.00 C ATOM 1480 CG GLU B 33 22.377 -4.872 6.092 1.00 0.00 C ATOM 1481 CD GLU B 33 22.816 -5.584 7.373 1.00 0.00 C ATOM 1482 OE1 GLU B 33 22.085 -6.450 7.826 1.00 0.00 O ATOM 1483 OE2 GLU B 33 23.876 -5.253 7.879 1.00 0.00 O ATOM 0 H GLU B 33 21.357 -3.504 4.234 1.00 0.00 H new ATOM 0 HA GLU B 33 21.738 -6.354 3.848 1.00 0.00 H new ATOM 0 HB2 GLU B 33 20.227 -4.703 5.941 1.00 0.00 H new ATOM 0 HB3 GLU B 33 20.796 -6.346 6.160 1.00 0.00 H new ATOM 0 HG2 GLU B 33 23.112 -5.034 5.303 1.00 0.00 H new ATOM 0 HG3 GLU B 33 22.323 -3.797 6.261 1.00 0.00 H new ATOM 1490 N VAL B 34 18.759 -5.146 3.406 1.00 0.00 N ATOM 1491 CA VAL B 34 17.402 -5.501 2.920 1.00 0.00 C ATOM 1492 C VAL B 34 17.489 -5.844 1.429 1.00 0.00 C ATOM 1493 O VAL B 34 16.920 -6.816 0.972 1.00 0.00 O ATOM 1494 CB VAL B 34 16.560 -4.241 3.203 1.00 0.00 C ATOM 1495 CG1 VAL B 34 15.624 -3.934 2.034 1.00 0.00 C ATOM 1496 CG2 VAL B 34 15.727 -4.473 4.465 1.00 0.00 C ATOM 0 H VAL B 34 18.933 -4.146 3.504 1.00 0.00 H new ATOM 0 HA VAL B 34 16.958 -6.371 3.403 1.00 0.00 H new ATOM 0 HB VAL B 34 17.233 -3.394 3.339 1.00 0.00 H new ATOM 0 HG11 VAL B 34 15.041 -3.041 2.259 1.00 0.00 H new ATOM 0 HG12 VAL B 34 16.212 -3.766 1.132 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.950 -4.776 1.876 1.00 0.00 H new ATOM 0 HG21 VAL B 34 15.128 -3.587 4.673 1.00 0.00 H new ATOM 0 HG22 VAL B 34 15.069 -5.329 4.314 1.00 0.00 H new ATOM 0 HG23 VAL B 34 16.390 -4.669 5.308 1.00 0.00 H new ATOM 1506 N ARG B 35 18.231 -5.081 0.678 1.00 0.00 N ATOM 1507 CA ARG B 35 18.394 -5.394 -0.765 1.00 0.00 C ATOM 1508 C ARG B 35 19.370 -6.557 -0.889 1.00 0.00 C ATOM 1509 O ARG B 35 19.134 -7.517 -1.596 1.00 0.00 O ATOM 1510 CB ARG B 35 19.005 -4.144 -1.354 1.00 0.00 C ATOM 1511 CG ARG B 35 18.040 -3.500 -2.344 1.00 0.00 C ATOM 1512 CD ARG B 35 18.850 -2.926 -3.497 1.00 0.00 C ATOM 1513 NE ARG B 35 17.843 -2.464 -4.490 1.00 0.00 N ATOM 1514 CZ ARG B 35 17.924 -1.261 -4.985 1.00 0.00 C ATOM 1515 NH1 ARG B 35 18.314 -0.271 -4.229 1.00 0.00 N ATOM 1516 NH2 ARG B 35 17.618 -1.047 -6.235 1.00 0.00 N ATOM 0 H ARG B 35 18.732 -4.254 1.003 1.00 0.00 H new ATOM 0 HA ARG B 35 17.463 -5.667 -1.263 1.00 0.00 H new ATOM 0 HB2 ARG B 35 19.245 -3.439 -0.558 1.00 0.00 H new ATOM 0 HB3 ARG B 35 19.941 -4.390 -1.855 1.00 0.00 H new ATOM 0 HG2 ARG B 35 17.326 -4.237 -2.712 1.00 0.00 H new ATOM 0 HG3 ARG B 35 17.464 -2.714 -1.856 1.00 0.00 H new ATOM 0 HD2 ARG B 35 19.481 -2.102 -3.163 1.00 0.00 H new ATOM 0 HD3 ARG B 35 19.511 -3.679 -3.927 1.00 0.00 H new ATOM 0 HE ARG B 35 17.091 -3.087 -4.783 1.00 0.00 H new ATOM 0 HH11 ARG B 35 18.555 -0.439 -3.252 1.00 0.00 H new ATOM 0 HH12 ARG B 35 18.378 0.671 -4.615 1.00 0.00 H new ATOM 0 HH21 ARG B 35 17.315 -1.821 -6.826 1.00 0.00 H new ATOM 0 HH22 ARG B 35 17.682 -0.105 -6.622 1.00 0.00 H new ATOM 1530 N ASP B 36 20.453 -6.491 -0.157 1.00 0.00 N ATOM 1531 CA ASP B 36 21.428 -7.603 -0.181 1.00 0.00 C ATOM 1532 C ASP B 36 20.658 -8.851 0.199 1.00 0.00 C ATOM 1533 O ASP B 36 20.964 -9.955 -0.201 1.00 0.00 O ATOM 1534 CB ASP B 36 22.471 -7.261 0.887 1.00 0.00 C ATOM 1535 CG ASP B 36 23.712 -8.132 0.687 1.00 0.00 C ATOM 1536 OD1 ASP B 36 23.879 -8.647 -0.406 1.00 0.00 O ATOM 1537 OD2 ASP B 36 24.474 -8.268 1.630 1.00 0.00 O ATOM 0 H ASP B 36 20.697 -5.711 0.454 1.00 0.00 H new ATOM 0 HA ASP B 36 21.914 -7.754 -1.145 1.00 0.00 H new ATOM 0 HB2 ASP B 36 22.740 -6.207 0.823 1.00 0.00 H new ATOM 0 HB3 ASP B 36 22.056 -7.424 1.881 1.00 0.00 H new ATOM 1542 N TYR B 37 19.618 -8.639 0.947 1.00 0.00 N ATOM 1543 CA TYR B 37 18.735 -9.728 1.363 1.00 0.00 C ATOM 1544 C TYR B 37 17.819 -10.034 0.186 1.00 0.00 C ATOM 1545 O TYR B 37 17.701 -11.153 -0.262 1.00 0.00 O ATOM 1546 CB TYR B 37 17.961 -9.142 2.540 1.00 0.00 C ATOM 1547 CG TYR B 37 16.633 -9.826 2.626 1.00 0.00 C ATOM 1548 CD1 TYR B 37 15.608 -9.414 1.781 1.00 0.00 C ATOM 1549 CD2 TYR B 37 16.452 -10.910 3.488 1.00 0.00 C ATOM 1550 CE1 TYR B 37 14.394 -10.084 1.781 1.00 0.00 C ATOM 1551 CE2 TYR B 37 15.227 -11.578 3.507 1.00 0.00 C ATOM 1552 CZ TYR B 37 14.198 -11.173 2.651 1.00 0.00 C ATOM 1553 OH TYR B 37 12.998 -11.860 2.652 1.00 0.00 O ATOM 0 H TYR B 37 19.344 -7.719 1.293 1.00 0.00 H new ATOM 0 HA TYR B 37 19.238 -10.652 1.648 1.00 0.00 H new ATOM 0 HB2 TYR B 37 18.519 -9.281 3.466 1.00 0.00 H new ATOM 0 HB3 TYR B 37 17.826 -8.069 2.407 1.00 0.00 H new ATOM 0 HD1 TYR B 37 15.758 -8.570 1.123 1.00 0.00 H new ATOM 0 HD2 TYR B 37 17.255 -11.229 4.136 1.00 0.00 H new ATOM 0 HE1 TYR B 37 13.602 -9.772 1.116 1.00 0.00 H new ATOM 0 HE2 TYR B 37 15.074 -12.407 4.182 1.00 0.00 H new ATOM 0 HH TYR B 37 12.618 -11.852 3.555 1.00 0.00 H new ATOM 1563 N CYS B 38 17.193 -9.019 -0.327 1.00 0.00 N ATOM 1564 CA CYS B 38 16.288 -9.190 -1.484 1.00 0.00 C ATOM 1565 C CYS B 38 17.010 -9.962 -2.588 1.00 0.00 C ATOM 1566 O CYS B 38 16.515 -10.945 -3.097 1.00 0.00 O ATOM 1567 CB CYS B 38 15.980 -7.757 -1.900 1.00 0.00 C ATOM 1568 SG CYS B 38 14.599 -7.718 -3.058 1.00 0.00 S ATOM 0 H CYS B 38 17.273 -8.061 0.015 1.00 0.00 H new ATOM 0 HA CYS B 38 15.382 -9.756 -1.265 1.00 0.00 H new ATOM 0 HB2 CYS B 38 15.741 -7.160 -1.020 1.00 0.00 H new ATOM 0 HB3 CYS B 38 16.861 -7.308 -2.360 1.00 0.00 H new ATOM 0 HG CYS B 38 14.112 -8.916 -3.193 1.00 0.00 H new ATOM 1574 N GLU B 39 18.192 -9.551 -2.938 1.00 0.00 N ATOM 1575 CA GLU B 39 18.948 -10.294 -3.972 1.00 0.00 C ATOM 1576 C GLU B 39 19.455 -11.587 -3.350 1.00 0.00 C ATOM 1577 O GLU B 39 19.901 -12.485 -4.038 1.00 0.00 O ATOM 1578 CB GLU B 39 20.112 -9.383 -4.339 1.00 0.00 C ATOM 1579 CG GLU B 39 20.869 -9.030 -3.061 1.00 0.00 C ATOM 1580 CD GLU B 39 22.268 -9.644 -3.108 1.00 0.00 C ATOM 1581 OE1 GLU B 39 22.998 -9.337 -4.035 1.00 0.00 O ATOM 1582 OE2 GLU B 39 22.586 -10.414 -2.217 1.00 0.00 O ATOM 0 H GLU B 39 18.665 -8.734 -2.553 1.00 0.00 H new ATOM 0 HA GLU B 39 18.353 -10.548 -4.850 1.00 0.00 H new ATOM 0 HB2 GLU B 39 20.775 -9.881 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU B 39 19.747 -8.479 -4.826 1.00 0.00 H new ATOM 0 HG2 GLU B 39 20.939 -7.947 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU B 39 20.327 -9.401 -2.191 1.00 0.00 H new ATOM 1589 N LYS B 40 19.339 -11.718 -2.051 1.00 0.00 N ATOM 1590 CA LYS B 40 19.760 -12.981 -1.417 1.00 0.00 C ATOM 1591 C LYS B 40 18.563 -13.887 -1.509 1.00 0.00 C ATOM 1592 O LYS B 40 18.650 -15.088 -1.668 1.00 0.00 O ATOM 1593 CB LYS B 40 20.060 -12.668 0.047 1.00 0.00 C ATOM 1594 CG LYS B 40 20.359 -13.970 0.786 1.00 0.00 C ATOM 1595 CD LYS B 40 21.008 -13.639 2.125 1.00 0.00 C ATOM 1596 CE LYS B 40 20.187 -14.258 3.260 1.00 0.00 C ATOM 1597 NZ LYS B 40 20.824 -15.579 3.534 1.00 0.00 N ATOM 0 H LYS B 40 18.974 -11.007 -1.418 1.00 0.00 H new ATOM 0 HA LYS B 40 20.636 -13.435 -1.880 1.00 0.00 H new ATOM 0 HB2 LYS B 40 20.911 -11.991 0.120 1.00 0.00 H new ATOM 0 HB3 LYS B 40 19.210 -12.162 0.505 1.00 0.00 H new ATOM 0 HG2 LYS B 40 19.440 -14.535 0.942 1.00 0.00 H new ATOM 0 HG3 LYS B 40 21.022 -14.598 0.191 1.00 0.00 H new ATOM 0 HD2 LYS B 40 22.029 -14.021 2.150 1.00 0.00 H new ATOM 0 HD3 LYS B 40 21.069 -12.558 2.254 1.00 0.00 H new ATOM 0 HE2 LYS B 40 20.201 -13.624 4.146 1.00 0.00 H new ATOM 0 HE3 LYS B 40 19.143 -14.378 2.970 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 20.312 -16.059 4.302 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 20.790 -16.166 2.676 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 21.815 -15.435 3.816 1.00 0.00 H new ATOM 1611 N LYS B 41 17.428 -13.263 -1.429 1.00 0.00 N ATOM 1612 CA LYS B 41 16.154 -13.980 -1.526 1.00 0.00 C ATOM 1613 C LYS B 41 16.022 -14.486 -2.931 1.00 0.00 C ATOM 1614 O LYS B 41 15.905 -15.663 -3.207 1.00 0.00 O ATOM 1615 CB LYS B 41 15.106 -12.908 -1.336 1.00 0.00 C ATOM 1616 CG LYS B 41 15.254 -12.151 -0.035 1.00 0.00 C ATOM 1617 CD LYS B 41 16.029 -12.968 0.985 1.00 0.00 C ATOM 1618 CE LYS B 41 15.077 -13.946 1.662 1.00 0.00 C ATOM 1619 NZ LYS B 41 15.953 -14.910 2.386 1.00 0.00 N ATOM 0 H LYS B 41 17.338 -12.256 -1.296 1.00 0.00 H new ATOM 0 HA LYS B 41 16.070 -14.802 -0.815 1.00 0.00 H new ATOM 0 HB2 LYS B 41 15.162 -12.204 -2.166 1.00 0.00 H new ATOM 0 HB3 LYS B 41 14.117 -13.366 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS B 41 15.768 -11.207 -0.216 1.00 0.00 H new ATOM 0 HG3 LYS B 41 14.269 -11.907 0.362 1.00 0.00 H new ATOM 0 HD2 LYS B 41 16.840 -13.508 0.497 1.00 0.00 H new ATOM 0 HD3 LYS B 41 16.484 -12.311 1.726 1.00 0.00 H new ATOM 0 HE2 LYS B 41 14.407 -13.430 2.350 1.00 0.00 H new ATOM 0 HE3 LYS B 41 14.451 -14.456 0.930 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 15.364 -15.614 2.876 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 16.575 -15.392 1.706 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 16.532 -14.398 3.082 1.00 0.00 H new ATOM 1633 N GLY B 42 16.075 -13.549 -3.823 1.00 0.00 N ATOM 1634 CA GLY B 42 15.992 -13.875 -5.250 1.00 0.00 C ATOM 1635 C GLY B 42 15.134 -12.879 -6.028 1.00 0.00 C ATOM 1636 O GLY B 42 14.230 -13.243 -6.748 1.00 0.00 O ATOM 0 H GLY B 42 16.174 -12.556 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY B 42 16.996 -13.894 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY B 42 15.577 -14.876 -5.367 1.00 0.00 H new ATOM 1640 N TRP B 43 15.467 -11.630 -5.939 1.00 0.00 N ATOM 1641 CA TRP B 43 14.747 -10.601 -6.740 1.00 0.00 C ATOM 1642 C TRP B 43 15.826 -9.921 -7.478 1.00 0.00 C ATOM 1643 O TRP B 43 15.822 -9.736 -8.679 1.00 0.00 O ATOM 1644 CB TRP B 43 14.117 -9.523 -5.865 1.00 0.00 C ATOM 1645 CG TRP B 43 13.556 -10.032 -4.593 1.00 0.00 C ATOM 1646 CD1 TRP B 43 14.049 -11.057 -3.898 1.00 0.00 C ATOM 1647 CD2 TRP B 43 12.441 -9.517 -3.800 1.00 0.00 C ATOM 1648 NE1 TRP B 43 13.328 -11.219 -2.783 1.00 0.00 N ATOM 1649 CE2 TRP B 43 12.346 -10.306 -2.646 1.00 0.00 C ATOM 1650 CE3 TRP B 43 11.521 -8.468 -3.952 1.00 0.00 C ATOM 1651 CZ2 TRP B 43 11.407 -10.090 -1.664 1.00 0.00 C ATOM 1652 CZ3 TRP B 43 10.556 -8.234 -2.963 1.00 0.00 C ATOM 1653 CH2 TRP B 43 10.500 -9.039 -1.812 1.00 0.00 C ATOM 0 H TRP B 43 16.212 -11.270 -5.343 1.00 0.00 H new ATOM 0 HA TRP B 43 13.963 -11.068 -7.337 1.00 0.00 H new ATOM 0 HB2 TRP B 43 14.868 -8.766 -5.642 1.00 0.00 H new ATOM 0 HB3 TRP B 43 13.325 -9.030 -6.428 1.00 0.00 H new ATOM 0 HD1 TRP B 43 14.896 -11.661 -4.189 1.00 0.00 H new ATOM 0 HE1 TRP B 43 13.504 -11.960 -2.104 1.00 0.00 H new ATOM 0 HE3 TRP B 43 11.557 -7.841 -4.831 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 11.372 -10.725 -0.791 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 9.849 -7.427 -3.086 1.00 0.00 H new ATOM 0 HH2 TRP B 43 9.761 -8.846 -1.048 1.00 0.00 H new ATOM 1664 N ILE B 44 16.793 -9.606 -6.685 1.00 0.00 N ATOM 1665 CA ILE B 44 18.033 -8.970 -7.132 1.00 0.00 C ATOM 1666 C ILE B 44 17.875 -7.474 -7.238 1.00 0.00 C ATOM 1667 O ILE B 44 18.688 -6.789 -7.824 1.00 0.00 O ATOM 1668 CB ILE B 44 18.361 -9.541 -8.487 1.00 0.00 C ATOM 1669 CG1 ILE B 44 18.118 -11.042 -8.493 1.00 0.00 C ATOM 1670 CG2 ILE B 44 19.830 -9.256 -8.781 1.00 0.00 C ATOM 1671 CD1 ILE B 44 17.519 -11.433 -9.841 1.00 0.00 C ATOM 0 H ILE B 44 16.764 -9.778 -5.680 1.00 0.00 H new ATOM 0 HA ILE B 44 18.829 -9.163 -6.412 1.00 0.00 H new ATOM 0 HB ILE B 44 17.727 -9.085 -9.248 1.00 0.00 H new ATOM 0 HG12 ILE B 44 19.053 -11.577 -8.325 1.00 0.00 H new ATOM 0 HG13 ILE B 44 17.442 -11.319 -7.684 1.00 0.00 H new ATOM 0 HG21 ILE B 44 20.091 -9.661 -9.759 1.00 0.00 H new ATOM 0 HG22 ILE B 44 20.000 -8.179 -8.777 1.00 0.00 H new ATOM 0 HG23 ILE B 44 20.451 -9.724 -8.017 1.00 0.00 H new ATOM 0 HD11 ILE B 44 17.339 -12.508 -9.861 1.00 0.00 H new ATOM 0 HD12 ILE B 44 16.577 -10.904 -9.988 1.00 0.00 H new ATOM 0 HD13 ILE B 44 18.213 -11.167 -10.638 1.00 0.00 H new ATOM 1683 N VAL B 45 16.821 -6.990 -6.689 1.00 0.00 N ATOM 1684 CA VAL B 45 16.524 -5.533 -6.729 1.00 0.00 C ATOM 1685 C VAL B 45 17.814 -4.708 -6.809 1.00 0.00 C ATOM 1686 O VAL B 45 18.430 -4.397 -5.812 1.00 0.00 O ATOM 1687 CB VAL B 45 15.798 -5.275 -5.420 1.00 0.00 C ATOM 1688 CG1 VAL B 45 14.393 -5.881 -5.478 1.00 0.00 C ATOM 1689 CG2 VAL B 45 16.586 -5.899 -4.267 1.00 0.00 C ATOM 0 H VAL B 45 16.125 -7.550 -6.197 1.00 0.00 H new ATOM 0 HA VAL B 45 15.936 -5.250 -7.602 1.00 0.00 H new ATOM 0 HB VAL B 45 15.715 -4.200 -5.259 1.00 0.00 H new ATOM 0 HG11 VAL B 45 13.877 -5.693 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL B 45 13.834 -5.426 -6.296 1.00 0.00 H new ATOM 0 HG13 VAL B 45 14.467 -6.956 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL B 45 16.065 -5.714 -3.328 1.00 0.00 H new ATOM 0 HG22 VAL B 45 16.675 -6.974 -4.427 1.00 0.00 H new ATOM 0 HG23 VAL B 45 17.581 -5.455 -4.224 1.00 0.00 H new