USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 465 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 65 CYS SG : rot -160:sc= -1.65 USER MOD Set 1.2: A 68 CYS SG : rot 180:sc= -1.76 USER MOD Set 1.3: A 81 HIS : no HD1:sc= -7.66! C(o=-12!,f=-11!) USER MOD Set 1.4: A 86 HIS : no HD1:sc= -1.14 K(o=-12,f=-11) USER MOD Set 2.1: A 64 THR OG1 : rot 33:sc= -0.0334 USER MOD Set 2.2: A 71 GLN : amide:sc= 0 X(o=-0.033,f=-0.067) USER MOD Set 3.1: A 37 CYS SG : rot 161:sc= 0.24 USER MOD Set 3.2: A 40 CYS SG : rot -62:sc= -0.346 USER MOD Set 3.3: A 54 HIS : no HD1:sc= -0.968 K(o=-1.1,f=1.4) USER MOD Single : A 20 SER OG : rot -25:sc= 0.0823 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.411 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00774) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= -0.153 (180deg=-0.64) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -149:sc= -0.54 (180deg=-0.984) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -126:sc= 0 (180deg=-0.00764) USER MOD Single : A 79 LYS NZ :NH3+ -153:sc= -0.336 (180deg=-1.25) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= -1.93! (180deg=-1.93!) USER MOD Single : A 85 ASN : amide:sc= 0.593 K(o=0.59,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 262 N SER A 20 -4.515 8.848 0.177 1.00 0.00 N ATOM 263 CA SER A 20 -4.873 8.925 -1.234 1.00 0.00 C ATOM 264 C SER A 20 -4.316 7.730 -2.002 1.00 0.00 C ATOM 265 O SER A 20 -3.278 7.174 -1.640 1.00 0.00 O ATOM 266 CB SER A 20 -4.351 10.226 -1.845 1.00 0.00 C ATOM 267 OG SER A 20 -2.945 10.328 -1.702 1.00 0.00 O ATOM 0 HA SER A 20 -5.960 8.908 -1.308 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.616 10.267 -2.901 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.832 11.077 -1.362 1.00 0.00 H new ATOM 0 HG SER A 20 -2.655 9.796 -0.932 1.00 0.00 H new ATOM 273 N LEU A 21 -5.012 7.340 -3.064 1.00 0.00 N ATOM 274 CA LEU A 21 -4.589 6.210 -3.884 1.00 0.00 C ATOM 275 C LEU A 21 -3.128 6.357 -4.299 1.00 0.00 C ATOM 276 O LEU A 21 -2.410 5.367 -4.437 1.00 0.00 O ATOM 277 CB LEU A 21 -5.475 6.096 -5.126 1.00 0.00 C ATOM 278 CG LEU A 21 -6.819 5.394 -4.929 1.00 0.00 C ATOM 279 CD1 LEU A 21 -7.613 5.388 -6.226 1.00 0.00 C ATOM 280 CD2 LEU A 21 -6.610 3.975 -4.422 1.00 0.00 C ATOM 0 H LEU A 21 -5.872 7.790 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.690 5.302 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.664 7.100 -5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.919 5.563 -5.897 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.389 5.945 -4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.566 4.884 -6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.794 6.414 -6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.049 4.861 -6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.577 3.491 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.020 3.413 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.083 4.003 -3.468 1.00 0.00 H new ATOM 292 N GLU A 22 -2.695 7.598 -4.495 1.00 0.00 N ATOM 293 CA GLU A 22 -1.320 7.874 -4.893 1.00 0.00 C ATOM 294 C GLU A 22 -0.334 7.221 -3.928 1.00 0.00 C ATOM 295 O GLU A 22 0.483 6.391 -4.327 1.00 0.00 O ATOM 296 CB GLU A 22 -1.073 9.383 -4.948 1.00 0.00 C ATOM 297 CG GLU A 22 -1.738 10.065 -6.132 1.00 0.00 C ATOM 298 CD GLU A 22 -3.214 10.327 -5.901 1.00 0.00 C ATOM 299 OE1 GLU A 22 -3.539 11.167 -5.036 1.00 0.00 O ATOM 300 OE2 GLU A 22 -4.043 9.692 -6.586 1.00 0.00 O ATOM 0 H GLU A 22 -3.277 8.429 -4.385 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.165 7.452 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.438 9.836 -4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.001 9.566 -4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.232 11.009 -6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.618 9.443 -7.019 1.00 0.00 H new ATOM 307 N GLU A 23 -0.416 7.604 -2.658 1.00 0.00 N ATOM 308 CA GLU A 23 0.470 7.058 -1.637 1.00 0.00 C ATOM 309 C GLU A 23 0.589 5.542 -1.774 1.00 0.00 C ATOM 310 O GLU A 23 1.692 5.001 -1.843 1.00 0.00 O ATOM 311 CB GLU A 23 -0.043 7.415 -0.240 1.00 0.00 C ATOM 312 CG GLU A 23 0.652 6.655 0.877 1.00 0.00 C ATOM 313 CD GLU A 23 2.083 7.111 1.089 1.00 0.00 C ATOM 314 OE1 GLU A 23 2.371 8.298 0.831 1.00 0.00 O ATOM 315 OE2 GLU A 23 2.914 6.280 1.512 1.00 0.00 O ATOM 0 H GLU A 23 -1.087 8.290 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 23 1.457 7.498 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.088 8.485 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.113 7.214 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.092 6.785 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.644 5.590 0.646 1.00 0.00 H new ATOM 322 N GLN A 24 -0.554 4.866 -1.813 1.00 0.00 N ATOM 323 CA GLN A 24 -0.578 3.414 -1.941 1.00 0.00 C ATOM 324 C GLN A 24 0.305 2.954 -3.096 1.00 0.00 C ATOM 325 O GLN A 24 1.205 2.134 -2.914 1.00 0.00 O ATOM 326 CB GLN A 24 -2.011 2.923 -2.153 1.00 0.00 C ATOM 327 CG GLN A 24 -2.944 3.254 -0.999 1.00 0.00 C ATOM 328 CD GLN A 24 -4.296 2.579 -1.130 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.452 1.616 -1.880 1.00 0.00 O ATOM 330 NE2 GLN A 24 -5.282 3.083 -0.397 1.00 0.00 N ATOM 0 H GLN A 24 -1.475 5.300 -1.758 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.188 2.987 -1.017 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.406 3.365 -3.067 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.998 1.843 -2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.479 2.949 -0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.084 4.334 -0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.108 3.883 0.212 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.214 2.670 -0.443 1.00 0.00 H new ATOM 339 N TRP A 25 0.042 3.488 -4.284 1.00 0.00 N ATOM 340 CA TRP A 25 0.814 3.132 -5.469 1.00 0.00 C ATOM 341 C TRP A 25 2.306 3.330 -5.227 1.00 0.00 C ATOM 342 O TRP A 25 3.119 2.472 -5.571 1.00 0.00 O ATOM 343 CB TRP A 25 0.363 3.970 -6.667 1.00 0.00 C ATOM 344 CG TRP A 25 -1.089 3.800 -6.998 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.844 2.677 -6.819 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.958 4.784 -7.568 1.00 0.00 C ATOM 347 NE1 TRP A 25 -3.131 2.903 -7.243 1.00 0.00 N ATOM 348 CE2 TRP A 25 -3.227 4.188 -7.707 1.00 0.00 C ATOM 349 CE3 TRP A 25 -1.790 6.111 -7.974 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -4.318 4.875 -8.234 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -2.873 6.790 -8.497 1.00 0.00 C ATOM 352 CH2 TRP A 25 -4.124 6.172 -8.623 1.00 0.00 C ATOM 0 H TRP A 25 -0.699 4.168 -4.452 1.00 0.00 H new ATOM 0 HA TRP A 25 0.637 2.078 -5.684 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.560 5.022 -6.460 1.00 0.00 H new ATOM 0 HB3 TRP A 25 0.961 3.698 -7.537 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.483 1.747 -6.405 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.892 2.224 -7.217 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.830 6.597 -7.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.283 4.400 -8.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.753 7.815 -8.814 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -4.951 6.731 -9.035 1.00 0.00 H new ATOM 363 N TYR A 26 2.659 4.465 -4.634 1.00 0.00 N ATOM 364 CA TYR A 26 4.055 4.775 -4.348 1.00 0.00 C ATOM 365 C TYR A 26 4.743 3.604 -3.653 1.00 0.00 C ATOM 366 O TYR A 26 5.798 3.141 -4.087 1.00 0.00 O ATOM 367 CB TYR A 26 4.152 6.029 -3.477 1.00 0.00 C ATOM 368 CG TYR A 26 5.568 6.382 -3.080 1.00 0.00 C ATOM 369 CD1 TYR A 26 6.460 6.907 -4.007 1.00 0.00 C ATOM 370 CD2 TYR A 26 6.014 6.190 -1.778 1.00 0.00 C ATOM 371 CE1 TYR A 26 7.754 7.230 -3.649 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.306 6.512 -1.411 1.00 0.00 C ATOM 373 CZ TYR A 26 8.172 7.031 -2.350 1.00 0.00 C ATOM 374 OH TYR A 26 9.461 7.352 -1.988 1.00 0.00 O ATOM 0 H TYR A 26 1.998 5.185 -4.342 1.00 0.00 H new ATOM 0 HA TYR A 26 4.561 4.958 -5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.714 6.870 -4.015 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.557 5.882 -2.576 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.136 7.065 -5.025 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.339 5.782 -1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.435 7.636 -4.382 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.636 6.358 -0.394 1.00 0.00 H new ATOM 0 HH TYR A 26 9.593 7.152 -1.038 1.00 0.00 H new ATOM 384 N LEU A 27 4.136 3.130 -2.571 1.00 0.00 N ATOM 385 CA LEU A 27 4.688 2.011 -1.813 1.00 0.00 C ATOM 386 C LEU A 27 5.097 0.873 -2.743 1.00 0.00 C ATOM 387 O LEU A 27 6.254 0.453 -2.753 1.00 0.00 O ATOM 388 CB LEU A 27 3.667 1.508 -0.791 1.00 0.00 C ATOM 389 CG LEU A 27 3.177 2.536 0.230 1.00 0.00 C ATOM 390 CD1 LEU A 27 1.911 2.046 0.915 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.263 2.827 1.256 1.00 0.00 C ATOM 0 H LEU A 27 3.262 3.502 -2.198 1.00 0.00 H new ATOM 0 HA LEU A 27 5.575 2.363 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.803 1.121 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.107 0.670 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 27 2.945 3.462 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.577 2.790 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.131 1.889 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.116 1.107 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.897 3.560 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.526 1.907 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.144 3.222 0.751 1.00 0.00 H new ATOM 403 N GLU A 28 4.141 0.381 -3.523 1.00 0.00 N ATOM 404 CA GLU A 28 4.403 -0.708 -4.457 1.00 0.00 C ATOM 405 C GLU A 28 5.756 -0.525 -5.139 1.00 0.00 C ATOM 406 O GLU A 28 6.427 -1.500 -5.481 1.00 0.00 O ATOM 407 CB GLU A 28 3.295 -0.785 -5.510 1.00 0.00 C ATOM 408 CG GLU A 28 3.166 -2.153 -6.159 1.00 0.00 C ATOM 409 CD GLU A 28 2.681 -3.214 -5.190 1.00 0.00 C ATOM 410 OE1 GLU A 28 3.492 -3.671 -4.358 1.00 0.00 O ATOM 411 OE2 GLU A 28 1.491 -3.587 -5.264 1.00 0.00 O ATOM 0 H GLU A 28 3.178 0.718 -3.527 1.00 0.00 H new ATOM 0 HA GLU A 28 4.422 -1.640 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.345 -0.522 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.488 -0.042 -6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.474 -2.089 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.133 -2.451 -6.565 1.00 0.00 H new ATOM 418 N ILE A 29 6.149 0.729 -5.334 1.00 0.00 N ATOM 419 CA ILE A 29 7.421 1.039 -5.975 1.00 0.00 C ATOM 420 C ILE A 29 8.575 0.938 -4.983 1.00 0.00 C ATOM 421 O ILE A 29 9.539 0.206 -5.208 1.00 0.00 O ATOM 422 CB ILE A 29 7.412 2.450 -6.591 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.265 2.584 -7.596 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.746 2.745 -7.260 1.00 0.00 C ATOM 425 CD1 ILE A 29 5.876 4.017 -7.881 1.00 0.00 C ATOM 0 H ILE A 29 5.605 1.547 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 29 7.561 0.305 -6.769 1.00 0.00 H new ATOM 0 HB ILE A 29 7.259 3.177 -5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.553 2.102 -8.530 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.395 2.049 -7.216 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.724 3.746 -7.691 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.545 2.686 -6.521 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.927 2.015 -8.049 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.058 4.036 -8.601 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.557 4.498 -6.956 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.733 4.552 -8.291 1.00 0.00 H new ATOM 437 N VAL A 30 8.469 1.676 -3.883 1.00 0.00 N ATOM 438 CA VAL A 30 9.502 1.668 -2.854 1.00 0.00 C ATOM 439 C VAL A 30 9.665 0.278 -2.250 1.00 0.00 C ATOM 440 O VAL A 30 10.655 -0.005 -1.575 1.00 0.00 O ATOM 441 CB VAL A 30 9.182 2.670 -1.729 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.601 3.953 -2.305 1.00 0.00 C ATOM 443 CG2 VAL A 30 8.228 2.050 -0.719 1.00 0.00 C ATOM 0 H VAL A 30 7.678 2.287 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 30 10.433 1.962 -3.338 1.00 0.00 H new ATOM 0 HB VAL A 30 10.110 2.919 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.381 4.649 -1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.322 4.405 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.683 3.726 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.013 2.772 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.300 1.771 -1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.686 1.163 -0.283 1.00 0.00 H new ATOM 453 N ASP A 31 8.687 -0.587 -2.497 1.00 0.00 N ATOM 454 CA ASP A 31 8.722 -1.950 -1.979 1.00 0.00 C ATOM 455 C ASP A 31 9.257 -2.917 -3.031 1.00 0.00 C ATOM 456 O ASP A 31 10.109 -3.757 -2.741 1.00 0.00 O ATOM 457 CB ASP A 31 7.326 -2.384 -1.532 1.00 0.00 C ATOM 458 CG ASP A 31 7.368 -3.410 -0.416 1.00 0.00 C ATOM 459 OD1 ASP A 31 7.813 -4.548 -0.674 1.00 0.00 O ATOM 460 OD2 ASP A 31 6.956 -3.075 0.714 1.00 0.00 O ATOM 0 H ASP A 31 7.860 -0.368 -3.053 1.00 0.00 H new ATOM 0 HA ASP A 31 9.392 -1.969 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.767 -1.510 -1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.788 -2.800 -2.384 1.00 0.00 H new ATOM 465 N LYS A 32 8.750 -2.794 -4.253 1.00 0.00 N ATOM 466 CA LYS A 32 9.175 -3.657 -5.349 1.00 0.00 C ATOM 467 C LYS A 32 10.058 -2.893 -6.331 1.00 0.00 C ATOM 468 O LYS A 32 11.125 -3.366 -6.718 1.00 0.00 O ATOM 469 CB LYS A 32 7.957 -4.227 -6.078 1.00 0.00 C ATOM 470 CG LYS A 32 6.837 -4.658 -5.147 1.00 0.00 C ATOM 471 CD LYS A 32 7.234 -5.869 -4.321 1.00 0.00 C ATOM 472 CE LYS A 32 6.517 -5.887 -2.979 1.00 0.00 C ATOM 473 NZ LYS A 32 5.158 -6.488 -3.084 1.00 0.00 N ATOM 0 H LYS A 32 8.044 -2.104 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 32 9.756 -4.478 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.574 -3.477 -6.770 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.270 -5.083 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.577 -3.833 -4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.947 -4.891 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.000 -6.780 -4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.312 -5.863 -4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.109 -6.451 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.436 -4.869 -2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.702 -6.482 -2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.584 -5.935 -3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.237 -7.468 -3.424 1.00 0.00 H new ATOM 487 N GLY A 33 9.605 -1.708 -6.728 1.00 0.00 N ATOM 488 CA GLY A 33 10.367 -0.898 -7.661 1.00 0.00 C ATOM 489 C GLY A 33 9.509 -0.335 -8.776 1.00 0.00 C ATOM 490 O GLY A 33 9.937 0.556 -9.509 1.00 0.00 O ATOM 0 H GLY A 33 8.725 -1.294 -6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.841 -0.078 -7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.167 -1.501 -8.091 1.00 0.00 H new ATOM 494 N SER A 34 8.293 -0.856 -8.905 1.00 0.00 N ATOM 495 CA SER A 34 7.373 -0.403 -9.942 1.00 0.00 C ATOM 496 C SER A 34 5.924 -0.611 -9.512 1.00 0.00 C ATOM 497 O SER A 34 5.602 -1.577 -8.821 1.00 0.00 O ATOM 498 CB SER A 34 7.641 -1.149 -11.251 1.00 0.00 C ATOM 499 OG SER A 34 7.240 -2.504 -11.157 1.00 0.00 O ATOM 0 H SER A 34 7.922 -1.592 -8.304 1.00 0.00 H new ATOM 0 HA SER A 34 7.537 0.663 -10.099 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.105 -0.664 -12.066 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.703 -1.097 -11.492 1.00 0.00 H new ATOM 0 HG SER A 34 7.420 -2.958 -12.007 1.00 0.00 H new ATOM 505 N VAL A 35 5.053 0.304 -9.927 1.00 0.00 N ATOM 506 CA VAL A 35 3.638 0.222 -9.586 1.00 0.00 C ATOM 507 C VAL A 35 2.832 -0.381 -10.731 1.00 0.00 C ATOM 508 O VAL A 35 3.128 -0.149 -11.903 1.00 0.00 O ATOM 509 CB VAL A 35 3.062 1.608 -9.242 1.00 0.00 C ATOM 510 CG1 VAL A 35 2.970 2.474 -10.490 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.701 1.469 -8.578 1.00 0.00 C ATOM 0 H VAL A 35 5.303 1.110 -10.500 1.00 0.00 H new ATOM 0 HA VAL A 35 3.560 -0.423 -8.711 1.00 0.00 H new ATOM 0 HB VAL A 35 3.736 2.098 -8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.561 3.449 -10.227 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.964 2.601 -10.919 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.319 1.992 -11.220 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.309 2.458 -8.342 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.016 0.959 -9.256 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.801 0.890 -7.660 1.00 0.00 H new ATOM 521 N SER A 36 1.810 -1.156 -10.384 1.00 0.00 N ATOM 522 CA SER A 36 0.961 -1.796 -11.382 1.00 0.00 C ATOM 523 C SER A 36 -0.251 -0.927 -11.702 1.00 0.00 C ATOM 524 O SER A 36 -0.517 0.063 -11.021 1.00 0.00 O ATOM 525 CB SER A 36 0.502 -3.169 -10.888 1.00 0.00 C ATOM 526 OG SER A 36 -0.499 -3.708 -11.735 1.00 0.00 O ATOM 0 H SER A 36 1.549 -1.356 -9.418 1.00 0.00 H new ATOM 0 HA SER A 36 1.546 -1.923 -12.293 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.354 -3.848 -10.849 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.116 -3.083 -9.872 1.00 0.00 H new ATOM 0 HG SER A 36 -0.774 -4.586 -11.399 1.00 0.00 H new ATOM 532 N CYS A 37 -0.983 -1.305 -12.745 1.00 0.00 N ATOM 533 CA CYS A 37 -2.168 -0.562 -13.158 1.00 0.00 C ATOM 534 C CYS A 37 -3.358 -0.894 -12.263 1.00 0.00 C ATOM 535 O CYS A 37 -3.889 -2.005 -12.280 1.00 0.00 O ATOM 536 CB CYS A 37 -2.509 -0.875 -14.616 1.00 0.00 C ATOM 537 SG CYS A 37 -3.844 0.156 -15.305 1.00 0.00 S ATOM 0 H CYS A 37 -0.776 -2.122 -13.320 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.951 0.502 -13.063 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.613 -0.745 -15.224 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.797 -1.923 -14.694 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.795 0.119 -16.604 1.00 0.00 H new ATOM 542 N PRO A 38 -3.789 0.092 -11.461 1.00 0.00 N ATOM 543 CA PRO A 38 -4.921 -0.071 -10.544 1.00 0.00 C ATOM 544 C PRO A 38 -6.251 -0.186 -11.281 1.00 0.00 C ATOM 545 O PRO A 38 -7.297 -0.401 -10.667 1.00 0.00 O ATOM 546 CB PRO A 38 -4.884 1.208 -9.704 1.00 0.00 C ATOM 547 CG PRO A 38 -4.204 2.211 -10.571 1.00 0.00 C ATOM 548 CD PRO A 38 -3.203 1.441 -11.388 1.00 0.00 C ATOM 0 HA PRO A 38 -4.841 -0.985 -9.956 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.889 1.534 -9.435 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.338 1.055 -8.773 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.921 2.722 -11.213 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.712 2.976 -9.971 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.072 1.877 -12.379 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.222 1.428 -10.914 1.00 0.00 H new ATOM 556 N THR A 39 -6.205 -0.042 -12.602 1.00 0.00 N ATOM 557 CA THR A 39 -7.407 -0.129 -13.422 1.00 0.00 C ATOM 558 C THR A 39 -7.551 -1.515 -14.041 1.00 0.00 C ATOM 559 O THR A 39 -8.607 -2.141 -13.949 1.00 0.00 O ATOM 560 CB THR A 39 -7.397 0.924 -14.546 1.00 0.00 C ATOM 561 OG1 THR A 39 -7.231 2.233 -13.989 1.00 0.00 O ATOM 562 CG2 THR A 39 -8.688 0.870 -15.350 1.00 0.00 C ATOM 0 H THR A 39 -5.348 0.135 -13.127 1.00 0.00 H new ATOM 0 HA THR A 39 -8.254 0.061 -12.763 1.00 0.00 H new ATOM 0 HB THR A 39 -6.563 0.704 -15.212 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.224 2.897 -14.710 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.658 1.623 -16.138 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.798 -0.118 -15.796 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.535 1.067 -14.692 1.00 0.00 H new ATOM 570 N CYS A 40 -6.482 -1.990 -14.672 1.00 0.00 N ATOM 571 CA CYS A 40 -6.488 -3.302 -15.307 1.00 0.00 C ATOM 572 C CYS A 40 -5.666 -4.301 -14.499 1.00 0.00 C ATOM 573 O CYS A 40 -5.948 -5.499 -14.502 1.00 0.00 O ATOM 574 CB CYS A 40 -5.938 -3.206 -16.731 1.00 0.00 C ATOM 575 SG CYS A 40 -4.156 -2.839 -16.817 1.00 0.00 S ATOM 0 H CYS A 40 -5.600 -1.485 -14.757 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.519 -3.654 -15.346 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.130 -4.147 -17.247 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.484 -2.431 -17.268 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.925 -1.680 -16.275 1.00 0.00 H new ATOM 580 N GLN A 41 -4.647 -3.799 -13.808 1.00 0.00 N ATOM 581 CA GLN A 41 -3.783 -4.648 -12.996 1.00 0.00 C ATOM 582 C GLN A 41 -3.084 -5.695 -13.856 1.00 0.00 C ATOM 583 O GLN A 41 -2.990 -6.862 -13.477 1.00 0.00 O ATOM 584 CB GLN A 41 -4.595 -5.334 -11.896 1.00 0.00 C ATOM 585 CG GLN A 41 -5.368 -4.365 -11.016 1.00 0.00 C ATOM 586 CD GLN A 41 -5.856 -5.005 -9.731 1.00 0.00 C ATOM 587 OE1 GLN A 41 -6.148 -6.201 -9.692 1.00 0.00 O ATOM 588 NE2 GLN A 41 -5.947 -4.211 -8.671 1.00 0.00 N ATOM 0 H GLN A 41 -4.400 -2.809 -13.794 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.023 -4.016 -12.537 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.295 -6.033 -12.355 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.922 -5.921 -11.271 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.732 -3.513 -10.774 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.222 -3.978 -11.572 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.695 -3.226 -8.749 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.269 -4.586 -7.779 1.00 0.00 H new ATOM 597 N ALA A 42 -2.595 -5.269 -15.016 1.00 0.00 N ATOM 598 CA ALA A 42 -1.903 -6.170 -15.930 1.00 0.00 C ATOM 599 C ALA A 42 -0.422 -5.819 -16.029 1.00 0.00 C ATOM 600 O ALA A 42 0.433 -6.703 -16.084 1.00 0.00 O ATOM 601 CB ALA A 42 -2.551 -6.127 -17.306 1.00 0.00 C ATOM 0 H ALA A 42 -2.665 -4.306 -15.345 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.984 -7.182 -15.534 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.024 -6.805 -17.978 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.594 -6.433 -17.227 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.500 -5.112 -17.701 1.00 0.00 H new ATOM 607 N VAL A 43 -0.126 -4.524 -16.054 1.00 0.00 N ATOM 608 CA VAL A 43 1.252 -4.056 -16.146 1.00 0.00 C ATOM 609 C VAL A 43 1.517 -2.927 -15.157 1.00 0.00 C ATOM 610 O VAL A 43 0.605 -2.452 -14.483 1.00 0.00 O ATOM 611 CB VAL A 43 1.585 -3.567 -17.569 1.00 0.00 C ATOM 612 CG1 VAL A 43 1.366 -4.681 -18.581 1.00 0.00 C ATOM 613 CG2 VAL A 43 0.750 -2.344 -17.919 1.00 0.00 C ATOM 0 H VAL A 43 -0.822 -3.780 -16.012 1.00 0.00 H new ATOM 0 HA VAL A 43 1.891 -4.905 -15.903 1.00 0.00 H new ATOM 0 HB VAL A 43 2.637 -3.282 -17.601 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.606 -4.317 -19.580 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.011 -5.526 -18.338 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.324 -5.000 -18.552 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.997 -2.011 -18.927 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.308 -2.600 -17.871 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.962 -1.544 -17.210 1.00 0.00 H new ATOM 623 N GLY A 44 2.774 -2.500 -15.077 1.00 0.00 N ATOM 624 CA GLY A 44 3.137 -1.428 -14.168 1.00 0.00 C ATOM 625 C GLY A 44 4.234 -0.543 -14.724 1.00 0.00 C ATOM 626 O GLY A 44 4.933 -0.925 -15.663 1.00 0.00 O ATOM 0 H GLY A 44 3.547 -2.877 -15.625 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.257 -0.821 -13.957 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.464 -1.855 -13.220 1.00 0.00 H new ATOM 630 N ARG A 45 4.384 0.644 -14.146 1.00 0.00 N ATOM 631 CA ARG A 45 5.402 1.588 -14.592 1.00 0.00 C ATOM 632 C ARG A 45 6.452 1.809 -13.507 1.00 0.00 C ATOM 633 O ARG A 45 6.294 1.354 -12.374 1.00 0.00 O ATOM 634 CB ARG A 45 4.759 2.923 -14.973 1.00 0.00 C ATOM 635 CG ARG A 45 3.936 2.860 -16.250 1.00 0.00 C ATOM 636 CD ARG A 45 4.781 3.180 -17.473 1.00 0.00 C ATOM 637 NE ARG A 45 5.483 2.003 -17.977 1.00 0.00 N ATOM 638 CZ ARG A 45 6.034 1.936 -19.184 1.00 0.00 C ATOM 639 NH1 ARG A 45 5.964 2.974 -20.006 1.00 0.00 N ATOM 640 NH2 ARG A 45 6.656 0.830 -19.570 1.00 0.00 N ATOM 0 H ARG A 45 3.814 0.975 -13.368 1.00 0.00 H new ATOM 0 HA ARG A 45 5.893 1.166 -15.469 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.120 3.255 -14.155 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.541 3.673 -15.091 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.502 1.866 -16.356 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.107 3.564 -16.185 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.143 3.585 -18.258 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.506 3.954 -17.220 1.00 0.00 H new ATOM 0 HE ARG A 45 5.554 1.187 -17.369 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.486 3.826 -19.712 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.388 2.920 -20.932 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.712 0.030 -18.940 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.079 0.780 -20.497 1.00 0.00 H new ATOM 654 N LYS A 46 7.523 2.510 -13.861 1.00 0.00 N ATOM 655 CA LYS A 46 8.599 2.793 -12.919 1.00 0.00 C ATOM 656 C LYS A 46 8.073 3.546 -11.702 1.00 0.00 C ATOM 657 O LYS A 46 8.249 3.110 -10.564 1.00 0.00 O ATOM 658 CB LYS A 46 9.700 3.609 -13.600 1.00 0.00 C ATOM 659 CG LYS A 46 10.653 2.769 -14.432 1.00 0.00 C ATOM 660 CD LYS A 46 12.011 3.438 -14.571 1.00 0.00 C ATOM 661 CE LYS A 46 12.001 4.497 -15.662 1.00 0.00 C ATOM 662 NZ LYS A 46 12.081 3.894 -17.021 1.00 0.00 N ATOM 0 H LYS A 46 7.669 2.893 -14.795 1.00 0.00 H new ATOM 0 HA LYS A 46 9.014 1.842 -12.585 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.240 4.362 -14.240 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.269 4.142 -12.839 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.775 1.790 -13.969 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.225 2.604 -15.421 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.292 3.894 -13.622 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.767 2.686 -14.799 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.091 5.092 -15.582 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.841 5.177 -15.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.157 4.649 -17.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.917 3.278 -17.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.225 3.333 -17.203 1.00 0.00 H new ATOM 676 N THR A 47 7.423 4.680 -11.948 1.00 0.00 N ATOM 677 CA THR A 47 6.870 5.493 -10.873 1.00 0.00 C ATOM 678 C THR A 47 5.438 5.913 -11.182 1.00 0.00 C ATOM 679 O THR A 47 4.863 5.498 -12.188 1.00 0.00 O ATOM 680 CB THR A 47 7.721 6.754 -10.628 1.00 0.00 C ATOM 681 OG1 THR A 47 8.230 7.250 -11.870 1.00 0.00 O ATOM 682 CG2 THR A 47 8.876 6.452 -9.685 1.00 0.00 C ATOM 0 H THR A 47 7.267 5.056 -12.883 1.00 0.00 H new ATOM 0 HA THR A 47 6.879 4.877 -9.974 1.00 0.00 H new ATOM 0 HB THR A 47 7.086 7.511 -10.168 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.768 8.052 -11.706 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.463 7.357 -9.527 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.484 6.102 -8.730 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.510 5.680 -10.122 1.00 0.00 H new ATOM 690 N ILE A 48 4.867 6.739 -10.311 1.00 0.00 N ATOM 691 CA ILE A 48 3.502 7.216 -10.492 1.00 0.00 C ATOM 692 C ILE A 48 3.323 7.859 -11.863 1.00 0.00 C ATOM 693 O ILE A 48 2.387 7.534 -12.594 1.00 0.00 O ATOM 694 CB ILE A 48 3.112 8.235 -9.405 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.343 7.641 -8.014 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.661 8.658 -9.572 1.00 0.00 C ATOM 697 CD1 ILE A 48 2.349 6.562 -7.645 1.00 0.00 C ATOM 0 H ILE A 48 5.329 7.092 -9.473 1.00 0.00 H new ATOM 0 HA ILE A 48 2.850 6.346 -10.412 1.00 0.00 H new ATOM 0 HB ILE A 48 3.742 9.118 -9.512 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.350 7.227 -7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.292 8.439 -7.274 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.400 9.378 -8.796 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.526 9.115 -10.552 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.015 7.784 -9.487 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.573 6.187 -6.647 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.341 6.976 -7.659 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.416 5.745 -8.363 1.00 0.00 H new ATOM 709 N GLU A 49 4.227 8.771 -12.206 1.00 0.00 N ATOM 710 CA GLU A 49 4.168 9.459 -13.491 1.00 0.00 C ATOM 711 C GLU A 49 3.901 8.473 -14.624 1.00 0.00 C ATOM 712 O GLU A 49 2.886 8.562 -15.314 1.00 0.00 O ATOM 713 CB GLU A 49 5.475 10.211 -13.752 1.00 0.00 C ATOM 714 CG GLU A 49 5.497 11.614 -13.167 1.00 0.00 C ATOM 715 CD GLU A 49 4.804 12.627 -14.057 1.00 0.00 C ATOM 716 OE1 GLU A 49 5.140 12.689 -15.258 1.00 0.00 O ATOM 717 OE2 GLU A 49 3.926 13.358 -13.553 1.00 0.00 O ATOM 0 H GLU A 49 5.008 9.051 -11.613 1.00 0.00 H new ATOM 0 HA GLU A 49 3.346 10.174 -13.454 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.303 9.639 -13.334 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.641 10.272 -14.828 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.014 11.604 -12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.531 11.922 -13.009 1.00 0.00 H new ATOM 724 N GLY A 50 4.822 7.531 -14.811 1.00 0.00 N ATOM 725 CA GLY A 50 4.669 6.542 -15.862 1.00 0.00 C ATOM 726 C GLY A 50 3.286 5.920 -15.876 1.00 0.00 C ATOM 727 O GLY A 50 2.695 5.727 -16.939 1.00 0.00 O ATOM 0 H GLY A 50 5.671 7.436 -14.253 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.864 7.009 -16.827 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.415 5.758 -15.731 1.00 0.00 H new ATOM 731 N LEU A 51 2.770 5.605 -14.693 1.00 0.00 N ATOM 732 CA LEU A 51 1.448 4.999 -14.573 1.00 0.00 C ATOM 733 C LEU A 51 0.363 5.959 -15.051 1.00 0.00 C ATOM 734 O LEU A 51 -0.610 5.549 -15.684 1.00 0.00 O ATOM 735 CB LEU A 51 1.182 4.592 -13.123 1.00 0.00 C ATOM 736 CG LEU A 51 -0.261 4.213 -12.786 1.00 0.00 C ATOM 737 CD1 LEU A 51 -0.516 2.748 -13.104 1.00 0.00 C ATOM 738 CD2 LEU A 51 -0.561 4.504 -11.323 1.00 0.00 C ATOM 0 H LEU A 51 3.246 5.759 -13.804 1.00 0.00 H new ATOM 0 HA LEU A 51 1.424 4.110 -15.204 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.825 3.746 -12.880 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.481 5.416 -12.475 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.928 4.818 -13.400 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.548 2.496 -12.858 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.343 2.571 -14.165 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.159 2.125 -12.517 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.592 4.228 -11.101 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.113 3.926 -10.691 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.420 5.567 -11.127 1.00 0.00 H new ATOM 750 N LYS A 52 0.538 7.240 -14.746 1.00 0.00 N ATOM 751 CA LYS A 52 -0.423 8.261 -15.146 1.00 0.00 C ATOM 752 C LYS A 52 -0.701 8.188 -16.644 1.00 0.00 C ATOM 753 O LYS A 52 -1.854 8.125 -17.070 1.00 0.00 O ATOM 754 CB LYS A 52 0.098 9.653 -14.780 1.00 0.00 C ATOM 755 CG LYS A 52 0.301 9.854 -13.288 1.00 0.00 C ATOM 756 CD LYS A 52 -0.945 10.420 -12.628 1.00 0.00 C ATOM 757 CE LYS A 52 -0.604 11.179 -11.354 1.00 0.00 C ATOM 758 NZ LYS A 52 0.242 12.373 -11.630 1.00 0.00 N ATOM 0 H LYS A 52 1.338 7.596 -14.222 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.355 8.077 -14.612 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.044 9.824 -15.293 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.603 10.402 -15.147 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.560 8.903 -12.823 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.141 10.529 -13.122 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.456 11.085 -13.324 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.636 9.609 -12.396 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.524 11.492 -10.860 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.082 10.515 -10.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.085 13.088 -10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.244 12.095 -11.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.011 12.771 -12.557 1.00 0.00 H new ATOM 772 N LYS A 53 0.363 8.197 -17.440 1.00 0.00 N ATOM 773 CA LYS A 53 0.235 8.129 -18.891 1.00 0.00 C ATOM 774 C LYS A 53 -0.347 6.787 -19.323 1.00 0.00 C ATOM 775 O LYS A 53 -0.766 6.621 -20.470 1.00 0.00 O ATOM 776 CB LYS A 53 1.597 8.344 -19.555 1.00 0.00 C ATOM 777 CG LYS A 53 1.507 8.955 -20.943 1.00 0.00 C ATOM 778 CD LYS A 53 2.751 9.760 -21.279 1.00 0.00 C ATOM 779 CE LYS A 53 3.966 8.863 -21.453 1.00 0.00 C ATOM 780 NZ LYS A 53 5.240 9.630 -21.371 1.00 0.00 N ATOM 0 H LYS A 53 1.325 8.251 -17.104 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.445 8.919 -19.208 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.203 8.991 -18.921 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.115 7.387 -19.621 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.373 8.165 -21.682 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.629 9.598 -21.002 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.582 10.327 -22.194 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.942 10.484 -20.487 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.958 8.089 -20.686 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.908 8.357 -22.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.044 8.982 -21.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.259 10.352 -22.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.308 10.092 -20.442 1.00 0.00 H new ATOM 794 N HIS A 54 -0.372 5.832 -18.399 1.00 0.00 N ATOM 795 CA HIS A 54 -0.905 4.505 -18.685 1.00 0.00 C ATOM 796 C HIS A 54 -2.401 4.446 -18.394 1.00 0.00 C ATOM 797 O HIS A 54 -3.190 4.014 -19.234 1.00 0.00 O ATOM 798 CB HIS A 54 -0.171 3.448 -17.859 1.00 0.00 C ATOM 799 CG HIS A 54 -0.715 2.064 -18.036 1.00 0.00 C ATOM 800 ND1 HIS A 54 -0.517 1.318 -19.178 1.00 0.00 N ATOM 801 CD2 HIS A 54 -1.454 1.291 -17.207 1.00 0.00 C ATOM 802 CE1 HIS A 54 -1.112 0.146 -19.045 1.00 0.00 C ATOM 803 NE2 HIS A 54 -1.687 0.104 -17.857 1.00 0.00 N ATOM 0 H HIS A 54 -0.029 5.952 -17.446 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.750 4.299 -19.744 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.884 3.453 -18.134 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.227 3.719 -16.805 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.797 1.558 -16.218 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.126 -0.643 -19.782 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.218 -0.682 -17.483 1.00 0.00 H new ATOM 811 N MET A 55 -2.784 4.883 -17.199 1.00 0.00 N ATOM 812 CA MET A 55 -4.186 4.880 -16.798 1.00 0.00 C ATOM 813 C MET A 55 -4.972 5.943 -17.560 1.00 0.00 C ATOM 814 O MET A 55 -6.152 5.761 -17.856 1.00 0.00 O ATOM 815 CB MET A 55 -4.309 5.121 -15.292 1.00 0.00 C ATOM 816 CG MET A 55 -3.962 6.540 -14.874 1.00 0.00 C ATOM 817 SD MET A 55 -3.264 6.624 -13.213 1.00 0.00 S ATOM 818 CE MET A 55 -4.389 5.555 -12.319 1.00 0.00 C ATOM 0 H MET A 55 -2.144 5.244 -16.492 1.00 0.00 H new ATOM 0 HA MET A 55 -4.604 3.902 -17.038 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.329 4.898 -14.979 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.655 4.426 -14.766 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.250 6.960 -15.585 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.859 7.157 -14.919 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.473 5.897 -11.287 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.371 5.583 -12.792 1.00 0.00 H new ATOM 0 HE3 MET A 55 -4.009 4.534 -12.333 1.00 0.00 H new ATOM 828 N GLU A 56 -4.309 7.051 -17.874 1.00 0.00 N ATOM 829 CA GLU A 56 -4.947 8.143 -18.601 1.00 0.00 C ATOM 830 C GLU A 56 -5.683 7.620 -19.831 1.00 0.00 C ATOM 831 O GLU A 56 -6.795 8.051 -20.131 1.00 0.00 O ATOM 832 CB GLU A 56 -3.906 9.183 -19.020 1.00 0.00 C ATOM 833 CG GLU A 56 -3.048 8.746 -20.196 1.00 0.00 C ATOM 834 CD GLU A 56 -2.111 9.839 -20.672 1.00 0.00 C ATOM 835 OE1 GLU A 56 -1.706 10.677 -19.840 1.00 0.00 O ATOM 836 OE2 GLU A 56 -1.783 9.857 -21.877 1.00 0.00 O ATOM 0 H GLU A 56 -3.331 7.217 -17.637 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.672 8.613 -17.937 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.416 10.111 -19.278 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.259 9.400 -18.170 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.464 7.871 -19.910 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.694 8.442 -21.020 1.00 0.00 H new ATOM 958 N THR A 64 -17.903 -1.776 -26.135 1.00 0.00 N ATOM 959 CA THR A 64 -18.545 -2.185 -27.378 1.00 0.00 C ATOM 960 C THR A 64 -17.725 -3.250 -28.097 1.00 0.00 C ATOM 961 O THR A 64 -16.673 -2.958 -28.667 1.00 0.00 O ATOM 962 CB THR A 64 -18.752 -0.986 -28.324 1.00 0.00 C ATOM 963 OG1 THR A 64 -19.349 0.103 -27.611 1.00 0.00 O ATOM 964 CG2 THR A 64 -19.633 -1.372 -29.502 1.00 0.00 C ATOM 0 HA THR A 64 -19.517 -2.599 -27.110 1.00 0.00 H new ATOM 0 HB THR A 64 -17.778 -0.679 -28.705 1.00 0.00 H new ATOM 0 HG1 THR A 64 -19.032 0.100 -26.684 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.765 -0.510 -30.156 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.161 -2.181 -30.059 1.00 0.00 H new ATOM 0 HG23 THR A 64 -20.605 -1.702 -29.136 1.00 0.00 H new ATOM 972 N CYS A 65 -18.213 -4.485 -28.067 1.00 0.00 N ATOM 973 CA CYS A 65 -17.525 -5.595 -28.717 1.00 0.00 C ATOM 974 C CYS A 65 -17.113 -5.223 -30.138 1.00 0.00 C ATOM 975 O CYS A 65 -17.693 -4.324 -30.749 1.00 0.00 O ATOM 976 CB CYS A 65 -18.422 -6.834 -28.742 1.00 0.00 C ATOM 977 SG CYS A 65 -17.845 -8.148 -29.864 1.00 0.00 S ATOM 0 H CYS A 65 -19.082 -4.743 -27.600 1.00 0.00 H new ATOM 0 HA CYS A 65 -16.625 -5.818 -28.143 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.493 -7.238 -27.732 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.428 -6.535 -29.037 1.00 0.00 H new ATOM 0 HG CYS A 65 -18.834 -8.944 -30.145 1.00 0.00 H new ATOM 982 N HIS A 66 -16.109 -5.920 -30.659 1.00 0.00 N ATOM 983 CA HIS A 66 -15.620 -5.664 -32.009 1.00 0.00 C ATOM 984 C HIS A 66 -16.080 -6.757 -32.970 1.00 0.00 C ATOM 985 O HIS A 66 -16.327 -6.498 -34.148 1.00 0.00 O ATOM 986 CB HIS A 66 -14.094 -5.575 -32.013 1.00 0.00 C ATOM 987 CG HIS A 66 -13.549 -4.601 -31.014 1.00 0.00 C ATOM 988 ND1 HIS A 66 -13.171 -4.963 -29.739 1.00 0.00 N ATOM 989 CD2 HIS A 66 -13.317 -3.271 -31.110 1.00 0.00 C ATOM 990 CE1 HIS A 66 -12.732 -3.898 -29.093 1.00 0.00 C ATOM 991 NE2 HIS A 66 -12.809 -2.858 -29.903 1.00 0.00 N ATOM 0 H HIS A 66 -15.618 -6.667 -30.167 1.00 0.00 H new ATOM 0 HA HIS A 66 -16.033 -4.712 -32.344 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.680 -6.562 -31.809 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -13.757 -5.288 -33.009 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.498 -2.650 -31.975 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.371 -3.881 -28.075 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.536 -1.903 -29.670 1.00 0.00 H new ATOM 999 N HIS A 67 -16.191 -7.979 -32.459 1.00 0.00 N ATOM 1000 CA HIS A 67 -16.621 -9.111 -33.272 1.00 0.00 C ATOM 1001 C HIS A 67 -17.980 -8.839 -33.908 1.00 0.00 C ATOM 1002 O HIS A 67 -18.119 -8.850 -35.132 1.00 0.00 O ATOM 1003 CB HIS A 67 -16.687 -10.381 -32.422 1.00 0.00 C ATOM 1004 CG HIS A 67 -15.343 -10.955 -32.096 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -14.537 -11.563 -33.035 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -14.663 -11.008 -30.927 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -13.420 -11.968 -32.457 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -13.472 -11.643 -31.177 1.00 0.00 N ATOM 0 H HIS A 67 -15.989 -8.211 -31.486 1.00 0.00 H new ATOM 0 HA HIS A 67 -15.890 -9.253 -34.068 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -17.213 -10.160 -31.493 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -17.275 -11.132 -32.950 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -14.996 -10.622 -29.975 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -12.604 -12.478 -32.947 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -12.745 -11.833 -30.487 1.00 0.00 H new ATOM 1016 N CYS A 68 -18.982 -8.594 -33.070 1.00 0.00 N ATOM 1017 CA CYS A 68 -20.331 -8.320 -33.549 1.00 0.00 C ATOM 1018 C CYS A 68 -20.659 -6.834 -33.430 1.00 0.00 C ATOM 1019 O CYS A 68 -21.230 -6.239 -34.343 1.00 0.00 O ATOM 1020 CB CYS A 68 -21.352 -9.143 -32.760 1.00 0.00 C ATOM 1021 SG CYS A 68 -21.448 -8.713 -30.993 1.00 0.00 S ATOM 0 H CYS A 68 -18.885 -8.580 -32.055 1.00 0.00 H new ATOM 0 HA CYS A 68 -20.381 -8.603 -34.601 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -22.336 -9.009 -33.209 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -21.101 -10.200 -32.853 1.00 0.00 H new ATOM 0 HG CYS A 68 -22.339 -9.461 -30.412 1.00 0.00 H new ATOM 1026 N GLY A 69 -20.292 -6.241 -32.298 1.00 0.00 N ATOM 1027 CA GLY A 69 -20.555 -4.831 -32.080 1.00 0.00 C ATOM 1028 C GLY A 69 -21.653 -4.596 -31.063 1.00 0.00 C ATOM 1029 O GLY A 69 -22.412 -3.631 -31.167 1.00 0.00 O ATOM 0 H GLY A 69 -19.817 -6.712 -31.528 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -19.641 -4.342 -31.743 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -20.835 -4.366 -33.026 1.00 0.00 H new ATOM 1033 N LYS A 70 -21.742 -5.480 -30.075 1.00 0.00 N ATOM 1034 CA LYS A 70 -22.756 -5.366 -29.033 1.00 0.00 C ATOM 1035 C LYS A 70 -22.360 -4.315 -28.002 1.00 0.00 C ATOM 1036 O LYS A 70 -21.177 -4.038 -27.808 1.00 0.00 O ATOM 1037 CB LYS A 70 -22.964 -6.717 -28.346 1.00 0.00 C ATOM 1038 CG LYS A 70 -24.393 -6.953 -27.887 1.00 0.00 C ATOM 1039 CD LYS A 70 -24.613 -6.453 -26.470 1.00 0.00 C ATOM 1040 CE LYS A 70 -26.046 -5.989 -26.259 1.00 0.00 C ATOM 1041 NZ LYS A 70 -27.009 -7.124 -26.302 1.00 0.00 N ATOM 0 H LYS A 70 -21.123 -6.285 -29.974 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.690 -5.056 -29.502 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -22.676 -7.513 -29.033 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -22.299 -6.783 -27.485 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -25.082 -6.447 -28.563 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -24.621 -8.018 -27.938 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -24.379 -7.248 -25.762 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -23.929 -5.630 -26.263 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -26.125 -5.482 -25.298 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -26.309 -5.261 -27.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -27.974 -6.766 -26.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -26.952 -7.593 -27.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -26.774 -7.807 -25.553 1.00 0.00 H new ATOM 1055 N GLN A 71 -23.358 -3.733 -27.343 1.00 0.00 N ATOM 1056 CA GLN A 71 -23.112 -2.713 -26.331 1.00 0.00 C ATOM 1057 C GLN A 71 -23.864 -3.032 -25.043 1.00 0.00 C ATOM 1058 O GLN A 71 -25.085 -3.190 -25.048 1.00 0.00 O ATOM 1059 CB GLN A 71 -23.530 -1.337 -26.852 1.00 0.00 C ATOM 1060 CG GLN A 71 -22.553 -0.744 -27.855 1.00 0.00 C ATOM 1061 CD GLN A 71 -22.776 0.739 -28.079 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -23.621 1.137 -28.882 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -22.017 1.566 -27.370 1.00 0.00 N ATOM 0 H GLN A 71 -24.343 -3.951 -27.492 1.00 0.00 H new ATOM 0 HA GLN A 71 -22.044 -2.702 -26.114 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -24.512 -1.417 -27.318 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -23.632 -0.654 -26.009 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -21.534 -0.905 -27.503 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -22.649 -1.270 -28.805 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -21.329 1.193 -26.716 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -22.122 2.575 -27.479 1.00 0.00 H new ATOM 1072 N LEU A 72 -23.127 -3.125 -23.942 1.00 0.00 N ATOM 1073 CA LEU A 72 -23.724 -3.426 -22.645 1.00 0.00 C ATOM 1074 C LEU A 72 -23.068 -2.605 -21.540 1.00 0.00 C ATOM 1075 O LEU A 72 -21.847 -2.621 -21.383 1.00 0.00 O ATOM 1076 CB LEU A 72 -23.593 -4.918 -22.334 1.00 0.00 C ATOM 1077 CG LEU A 72 -24.490 -5.854 -23.144 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -24.099 -7.305 -22.909 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -25.953 -5.630 -22.789 1.00 0.00 C ATOM 0 H LEU A 72 -22.115 -2.996 -23.921 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.781 -3.162 -22.690 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -22.556 -5.212 -22.495 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -23.807 -5.068 -21.276 1.00 0.00 H new ATOM 0 HG LEU A 72 -24.355 -5.630 -24.202 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -24.749 -7.956 -23.494 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -23.064 -7.457 -23.214 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -24.204 -7.543 -21.851 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -26.577 -6.305 -23.375 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -26.104 -5.826 -21.727 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.227 -4.598 -23.010 1.00 0.00 H new ATOM 1091 N ARG A 73 -23.886 -1.889 -20.775 1.00 0.00 N ATOM 1092 CA ARG A 73 -23.385 -1.063 -19.684 1.00 0.00 C ATOM 1093 C ARG A 73 -22.464 -1.867 -18.772 1.00 0.00 C ATOM 1094 O ARG A 73 -21.397 -1.396 -18.378 1.00 0.00 O ATOM 1095 CB ARG A 73 -24.549 -0.490 -18.874 1.00 0.00 C ATOM 1096 CG ARG A 73 -24.209 0.802 -18.149 1.00 0.00 C ATOM 1097 CD ARG A 73 -25.333 1.232 -17.220 1.00 0.00 C ATOM 1098 NE ARG A 73 -24.852 2.085 -16.136 1.00 0.00 N ATOM 1099 CZ ARG A 73 -25.648 2.836 -15.383 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -26.957 2.840 -15.595 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -25.134 3.586 -14.416 1.00 0.00 N ATOM 0 H ARG A 73 -24.899 -1.865 -20.891 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.813 -0.242 -20.116 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -25.392 -0.311 -19.542 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -24.873 -1.232 -18.144 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -23.292 0.668 -17.575 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -24.016 1.589 -18.878 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -26.092 1.766 -17.792 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -25.814 0.349 -16.800 1.00 0.00 H new ATOM 0 HE ARG A 73 -23.850 2.105 -15.947 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -27.355 2.265 -16.338 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -27.566 3.418 -15.015 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -24.127 3.586 -14.251 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -25.746 4.163 -13.838 1.00 0.00 H new ATOM 1115 N SER A 74 -22.884 -3.084 -18.439 1.00 0.00 N ATOM 1116 CA SER A 74 -22.099 -3.952 -17.569 1.00 0.00 C ATOM 1117 C SER A 74 -21.104 -4.777 -18.380 1.00 0.00 C ATOM 1118 O SER A 74 -21.355 -5.110 -19.539 1.00 0.00 O ATOM 1119 CB SER A 74 -23.019 -4.880 -16.774 1.00 0.00 C ATOM 1120 OG SER A 74 -22.271 -5.754 -15.947 1.00 0.00 O ATOM 0 H SER A 74 -23.763 -3.491 -18.759 1.00 0.00 H new ATOM 0 HA SER A 74 -21.543 -3.322 -16.875 1.00 0.00 H new ATOM 0 HB2 SER A 74 -23.698 -4.287 -16.161 1.00 0.00 H new ATOM 0 HB3 SER A 74 -23.635 -5.462 -17.460 1.00 0.00 H new ATOM 0 HG SER A 74 -22.882 -6.335 -15.448 1.00 0.00 H new ATOM 1126 N LEU A 75 -19.974 -5.103 -17.763 1.00 0.00 N ATOM 1127 CA LEU A 75 -18.939 -5.889 -18.426 1.00 0.00 C ATOM 1128 C LEU A 75 -19.256 -7.380 -18.352 1.00 0.00 C ATOM 1129 O LEU A 75 -19.219 -8.083 -19.360 1.00 0.00 O ATOM 1130 CB LEU A 75 -17.575 -5.614 -17.790 1.00 0.00 C ATOM 1131 CG LEU A 75 -16.403 -6.428 -18.338 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -16.189 -6.128 -19.814 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -15.137 -6.140 -17.545 1.00 0.00 C ATOM 0 H LEU A 75 -19.751 -4.835 -16.804 1.00 0.00 H new ATOM 0 HA LEU A 75 -18.910 -5.594 -19.475 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.346 -4.556 -17.914 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -17.652 -5.801 -16.719 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.640 -7.487 -18.234 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.351 -6.716 -20.187 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.089 -6.385 -20.372 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.973 -5.067 -19.942 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.313 -6.728 -17.949 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.896 -5.080 -17.617 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.294 -6.406 -16.500 1.00 0.00 H new ATOM 1145 N ALA A 76 -19.570 -7.853 -17.150 1.00 0.00 N ATOM 1146 CA ALA A 76 -19.898 -9.259 -16.945 1.00 0.00 C ATOM 1147 C ALA A 76 -20.785 -9.785 -18.068 1.00 0.00 C ATOM 1148 O ALA A 76 -20.376 -10.650 -18.842 1.00 0.00 O ATOM 1149 CB ALA A 76 -20.578 -9.450 -15.598 1.00 0.00 C ATOM 0 H ALA A 76 -19.604 -7.284 -16.304 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.969 -9.829 -16.955 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -20.818 -10.504 -15.458 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -19.909 -9.121 -14.803 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -21.495 -8.862 -15.567 1.00 0.00 H new ATOM 1155 N GLY A 77 -22.003 -9.258 -18.150 1.00 0.00 N ATOM 1156 CA GLY A 77 -22.929 -9.688 -19.181 1.00 0.00 C ATOM 1157 C GLY A 77 -22.280 -9.764 -20.549 1.00 0.00 C ATOM 1158 O GLY A 77 -22.312 -10.806 -21.201 1.00 0.00 O ATOM 0 H GLY A 77 -22.365 -8.541 -17.521 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -23.331 -10.666 -18.918 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -23.771 -8.997 -19.220 1.00 0.00 H new ATOM 1162 N MET A 78 -21.691 -8.655 -20.984 1.00 0.00 N ATOM 1163 CA MET A 78 -21.032 -8.600 -22.284 1.00 0.00 C ATOM 1164 C MET A 78 -20.018 -9.731 -22.428 1.00 0.00 C ATOM 1165 O MET A 78 -20.165 -10.605 -23.283 1.00 0.00 O ATOM 1166 CB MET A 78 -20.337 -7.250 -22.471 1.00 0.00 C ATOM 1167 CG MET A 78 -19.289 -7.254 -23.573 1.00 0.00 C ATOM 1168 SD MET A 78 -18.333 -5.726 -23.627 1.00 0.00 S ATOM 1169 CE MET A 78 -19.520 -4.610 -24.373 1.00 0.00 C ATOM 0 H MET A 78 -21.656 -7.783 -20.456 1.00 0.00 H new ATOM 0 HA MET A 78 -21.794 -8.718 -23.055 1.00 0.00 H new ATOM 0 HB2 MET A 78 -21.087 -6.492 -22.697 1.00 0.00 H new ATOM 0 HB3 MET A 78 -19.864 -6.961 -21.532 1.00 0.00 H new ATOM 0 HG2 MET A 78 -18.613 -8.096 -23.423 1.00 0.00 H new ATOM 0 HG3 MET A 78 -19.779 -7.406 -24.535 1.00 0.00 H new ATOM 0 HE1 MET A 78 -19.075 -4.138 -25.249 1.00 0.00 H new ATOM 0 HE2 MET A 78 -20.407 -5.169 -24.673 1.00 0.00 H new ATOM 0 HE3 MET A 78 -19.801 -3.843 -23.652 1.00 0.00 H new ATOM 1179 N LYS A 79 -18.991 -9.709 -21.586 1.00 0.00 N ATOM 1180 CA LYS A 79 -17.953 -10.733 -21.618 1.00 0.00 C ATOM 1181 C LYS A 79 -18.561 -12.119 -21.808 1.00 0.00 C ATOM 1182 O LYS A 79 -17.894 -13.042 -22.276 1.00 0.00 O ATOM 1183 CB LYS A 79 -17.132 -10.697 -20.327 1.00 0.00 C ATOM 1184 CG LYS A 79 -16.075 -9.607 -20.308 1.00 0.00 C ATOM 1185 CD LYS A 79 -15.011 -9.880 -19.258 1.00 0.00 C ATOM 1186 CE LYS A 79 -13.866 -10.704 -19.826 1.00 0.00 C ATOM 1187 NZ LYS A 79 -14.189 -12.158 -19.854 1.00 0.00 N ATOM 0 H LYS A 79 -18.855 -8.993 -20.872 1.00 0.00 H new ATOM 0 HA LYS A 79 -17.298 -10.524 -22.464 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -17.805 -10.553 -19.482 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.648 -11.663 -20.187 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.608 -9.535 -21.290 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -16.547 -8.645 -20.108 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.626 -8.935 -18.875 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -15.457 -10.408 -18.415 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.639 -10.363 -20.836 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.970 -10.543 -19.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.310 -12.710 -19.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.799 -12.394 -19.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.684 -12.387 -20.740 1.00 0.00 H new ATOM 1201 N TYR A 80 -19.831 -12.257 -21.444 1.00 0.00 N ATOM 1202 CA TYR A 80 -20.529 -13.531 -21.573 1.00 0.00 C ATOM 1203 C TYR A 80 -21.112 -13.693 -22.974 1.00 0.00 C ATOM 1204 O TYR A 80 -21.138 -14.794 -23.525 1.00 0.00 O ATOM 1205 CB TYR A 80 -21.643 -13.635 -20.530 1.00 0.00 C ATOM 1206 CG TYR A 80 -22.005 -15.058 -20.170 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -21.280 -15.759 -19.214 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -23.071 -15.702 -20.786 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -21.606 -17.060 -18.883 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -23.405 -17.002 -20.460 1.00 0.00 C ATOM 1211 CZ TYR A 80 -22.670 -17.677 -19.508 1.00 0.00 C ATOM 1212 OH TYR A 80 -22.999 -18.972 -19.181 1.00 0.00 O ATOM 0 H TYR A 80 -20.398 -11.503 -21.057 1.00 0.00 H new ATOM 0 HA TYR A 80 -19.807 -14.330 -21.404 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -21.334 -13.108 -19.627 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -22.531 -13.128 -20.907 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -20.448 -15.279 -18.721 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -23.648 -15.177 -21.533 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -21.031 -17.591 -18.139 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -24.237 -17.487 -20.948 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.773 -19.257 -19.711 1.00 0.00 H new ATOM 1222 N HIS A 81 -21.579 -12.587 -23.545 1.00 0.00 N ATOM 1223 CA HIS A 81 -22.161 -12.604 -24.882 1.00 0.00 C ATOM 1224 C HIS A 81 -21.150 -13.106 -25.908 1.00 0.00 C ATOM 1225 O HIS A 81 -21.523 -13.653 -26.946 1.00 0.00 O ATOM 1226 CB HIS A 81 -22.646 -11.206 -25.268 1.00 0.00 C ATOM 1227 CG HIS A 81 -21.626 -10.403 -26.014 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -21.272 -9.118 -25.658 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -20.880 -10.709 -27.101 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -20.355 -8.669 -26.495 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -20.098 -9.615 -27.380 1.00 0.00 N ATOM 0 H HIS A 81 -21.566 -11.668 -23.103 1.00 0.00 H new ATOM 0 HA HIS A 81 -23.012 -13.286 -24.873 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -23.543 -11.298 -25.881 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -22.931 -10.667 -24.364 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -20.897 -11.640 -27.647 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -19.893 -7.693 -26.462 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -19.428 -9.545 -28.146 1.00 0.00 H new ATOM 1239 N VAL A 82 -19.868 -12.915 -25.611 1.00 0.00 N ATOM 1240 CA VAL A 82 -18.803 -13.349 -26.508 1.00 0.00 C ATOM 1241 C VAL A 82 -18.656 -14.866 -26.493 1.00 0.00 C ATOM 1242 O VAL A 82 -18.612 -15.506 -27.543 1.00 0.00 O ATOM 1243 CB VAL A 82 -17.455 -12.710 -26.127 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -16.336 -13.266 -26.995 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -17.531 -11.195 -26.247 1.00 0.00 C ATOM 0 H VAL A 82 -19.542 -12.463 -24.757 1.00 0.00 H new ATOM 0 HA VAL A 82 -19.081 -13.024 -27.511 1.00 0.00 H new ATOM 0 HB VAL A 82 -17.235 -12.959 -25.089 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -15.391 -12.803 -26.711 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -16.268 -14.345 -26.854 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -16.546 -13.049 -28.042 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -16.570 -10.760 -25.974 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -17.774 -10.923 -27.274 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -18.304 -10.815 -25.579 1.00 0.00 H new ATOM 1255 N MET A 83 -18.581 -15.436 -25.295 1.00 0.00 N ATOM 1256 CA MET A 83 -18.440 -16.880 -25.143 1.00 0.00 C ATOM 1257 C MET A 83 -19.713 -17.599 -25.580 1.00 0.00 C ATOM 1258 O MET A 83 -19.665 -18.738 -26.042 1.00 0.00 O ATOM 1259 CB MET A 83 -18.114 -17.232 -23.690 1.00 0.00 C ATOM 1260 CG MET A 83 -16.644 -17.069 -23.341 1.00 0.00 C ATOM 1261 SD MET A 83 -16.208 -15.364 -22.950 1.00 0.00 S ATOM 1262 CE MET A 83 -16.765 -15.252 -21.251 1.00 0.00 C ATOM 0 H MET A 83 -18.615 -14.921 -24.415 1.00 0.00 H new ATOM 0 HA MET A 83 -17.620 -17.210 -25.781 1.00 0.00 H new ATOM 0 HB2 MET A 83 -18.708 -16.600 -23.030 1.00 0.00 H new ATOM 0 HB3 MET A 83 -18.412 -18.263 -23.499 1.00 0.00 H new ATOM 0 HG2 MET A 83 -16.404 -17.706 -22.489 1.00 0.00 H new ATOM 0 HG3 MET A 83 -16.036 -17.413 -24.178 1.00 0.00 H new ATOM 0 HE1 MET A 83 -16.563 -14.252 -20.867 1.00 0.00 H new ATOM 0 HE2 MET A 83 -17.836 -15.449 -21.206 1.00 0.00 H new ATOM 0 HE3 MET A 83 -16.235 -15.987 -20.645 1.00 0.00 H new ATOM 1272 N ALA A 84 -20.849 -16.925 -25.430 1.00 0.00 N ATOM 1273 CA ALA A 84 -22.133 -17.500 -25.810 1.00 0.00 C ATOM 1274 C ALA A 84 -22.283 -17.553 -27.327 1.00 0.00 C ATOM 1275 O ALA A 84 -22.567 -18.607 -27.895 1.00 0.00 O ATOM 1276 CB ALA A 84 -23.272 -16.701 -25.194 1.00 0.00 C ATOM 0 H ALA A 84 -20.906 -15.981 -25.048 1.00 0.00 H new ATOM 0 HA ALA A 84 -22.172 -18.521 -25.430 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -24.225 -17.142 -25.486 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -23.182 -16.718 -24.108 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -23.226 -15.670 -25.546 1.00 0.00 H new ATOM 1282 N ASN A 85 -22.089 -16.410 -27.977 1.00 0.00 N ATOM 1283 CA ASN A 85 -22.204 -16.327 -29.428 1.00 0.00 C ATOM 1284 C ASN A 85 -20.877 -16.666 -30.099 1.00 0.00 C ATOM 1285 O ASN A 85 -20.817 -17.516 -30.989 1.00 0.00 O ATOM 1286 CB ASN A 85 -22.657 -14.927 -29.846 1.00 0.00 C ATOM 1287 CG ASN A 85 -23.970 -14.527 -29.200 1.00 0.00 C ATOM 1288 OD1 ASN A 85 -25.023 -15.081 -29.514 1.00 0.00 O ATOM 1289 ND2 ASN A 85 -23.912 -13.560 -28.292 1.00 0.00 N ATOM 0 H ASN A 85 -21.851 -15.529 -27.522 1.00 0.00 H new ATOM 0 HA ASN A 85 -22.950 -17.054 -29.750 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -21.887 -14.204 -29.577 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -22.763 -14.891 -30.930 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -24.763 -13.248 -27.824 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -23.017 -13.129 -28.063 1.00 0.00 H new ATOM 1296 N HIS A 86 -19.813 -15.995 -29.667 1.00 0.00 N ATOM 1297 CA HIS A 86 -18.486 -16.226 -30.225 1.00 0.00 C ATOM 1298 C HIS A 86 -17.755 -17.321 -29.454 1.00 0.00 C ATOM 1299 O HIS A 86 -16.560 -17.211 -29.183 1.00 0.00 O ATOM 1300 CB HIS A 86 -17.667 -14.934 -30.198 1.00 0.00 C ATOM 1301 CG HIS A 86 -18.460 -13.716 -30.558 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -19.328 -13.671 -31.628 1.00 0.00 N ATOM 1303 CD2 HIS A 86 -18.513 -12.492 -29.981 1.00 0.00 C ATOM 1304 CE1 HIS A 86 -19.879 -12.472 -31.695 1.00 0.00 C ATOM 1305 NE2 HIS A 86 -19.402 -11.738 -30.707 1.00 0.00 N ATOM 0 H HIS A 86 -19.845 -15.288 -28.933 1.00 0.00 H new ATOM 0 HA HIS A 86 -18.605 -16.551 -31.258 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -17.245 -14.802 -29.202 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.829 -15.030 -30.889 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -17.959 -12.169 -29.112 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -20.598 -12.148 -32.433 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -19.653 -10.768 -30.514 1.00 0.00 H new