USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=19 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 90:sc= -2.25! USER MOD Set 1.2: A 68 CYS SG : rot -35:sc= -0.637 USER MOD Set 1.3: A 81 HIS : no HD1:sc= -10.5! C(o=-17!,f=-17!) USER MOD Set 1.4: A 86 HIS : no HD1:sc= -3.12 X(o=-17,f=-16) USER MOD Set 2.1: A 64 THR OG1 : rot 35:sc= 0.95 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.929 K(o=1.9,f=0.49) USER MOD Set 3.1: A 37 CYS SG : rot 139:sc= 0.547 USER MOD Set 3.2: A 40 CYS SG : rot -50:sc= -0.385 USER MOD Set 3.3: A 54 HIS :FLIP no HD1:sc= -0.0617 F(o=-0.99,f=0.1) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.72) 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= -0.226 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) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 145:sc= -0.145 (180deg=-1.44) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 160:sc= -0.25 (180deg=-1.07) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 67 HIS : no HD1:sc= -0.0943 K(o=-0.094,f=-0.61) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 36:sc= 0.329 USER MOD Single : A 78 MET CE :methyl 134:sc= -0.469 (180deg=-0.686) USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= -0.0443 (180deg=-0.301) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -119:sc= 0 (180deg=-0.0106) USER MOD Single : A 85 ASN : amide:sc= 0.467 X(o=0.47,f=0) USER MOD ----------------------------------------------------------------- ATOM 262 N SER A 20 -4.089 9.671 0.030 1.00 0.00 N ATOM 263 CA SER A 20 -4.510 9.549 -1.361 1.00 0.00 C ATOM 264 C SER A 20 -3.959 8.271 -1.985 1.00 0.00 C ATOM 265 O SER A 20 -3.133 7.580 -1.387 1.00 0.00 O ATOM 266 CB SER A 20 -4.044 10.765 -2.165 1.00 0.00 C ATOM 267 OG SER A 20 -4.874 11.887 -1.921 1.00 0.00 O ATOM 0 HA SER A 20 -5.599 9.503 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.014 11.006 -1.901 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.053 10.527 -3.229 1.00 0.00 H new ATOM 0 HG SER A 20 -4.554 12.651 -2.445 1.00 0.00 H new ATOM 273 N LEU A 21 -4.422 7.962 -3.192 1.00 0.00 N ATOM 274 CA LEU A 21 -3.976 6.766 -3.899 1.00 0.00 C ATOM 275 C LEU A 21 -2.496 6.863 -4.252 1.00 0.00 C ATOM 276 O LEU A 21 -1.734 5.922 -4.033 1.00 0.00 O ATOM 277 CB LEU A 21 -4.803 6.564 -5.170 1.00 0.00 C ATOM 278 CG LEU A 21 -6.065 5.714 -5.021 1.00 0.00 C ATOM 279 CD1 LEU A 21 -6.911 5.788 -6.283 1.00 0.00 C ATOM 280 CD2 LEU A 21 -5.701 4.270 -4.706 1.00 0.00 C ATOM 0 H LEU A 21 -5.105 8.523 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.118 5.909 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.092 7.544 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.166 6.103 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.651 6.110 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.805 5.177 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.201 6.822 -6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.334 5.418 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.611 3.679 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.094 3.863 -5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.137 4.232 -3.774 1.00 0.00 H new ATOM 292 N GLU A 22 -2.095 8.007 -4.798 1.00 0.00 N ATOM 293 CA GLU A 22 -0.705 8.226 -5.179 1.00 0.00 C ATOM 294 C GLU A 22 0.243 7.592 -4.165 1.00 0.00 C ATOM 295 O GLU A 22 1.169 6.871 -4.534 1.00 0.00 O ATOM 296 CB GLU A 22 -0.416 9.723 -5.299 1.00 0.00 C ATOM 297 CG GLU A 22 -1.146 10.395 -6.450 1.00 0.00 C ATOM 298 CD GLU A 22 -1.260 11.896 -6.272 1.00 0.00 C ATOM 299 OE1 GLU A 22 -0.210 12.562 -6.152 1.00 0.00 O ATOM 300 OE2 GLU A 22 -2.400 12.406 -6.252 1.00 0.00 O ATOM 0 H GLU A 22 -2.713 8.796 -4.986 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.541 7.754 -6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.696 10.214 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.657 9.868 -5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.621 10.182 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.144 9.967 -6.541 1.00 0.00 H new ATOM 307 N GLU A 23 0.005 7.869 -2.887 1.00 0.00 N ATOM 308 CA GLU A 23 0.839 7.328 -1.821 1.00 0.00 C ATOM 309 C GLU A 23 0.874 5.803 -1.878 1.00 0.00 C ATOM 310 O GLU A 23 1.940 5.194 -1.805 1.00 0.00 O ATOM 311 CB GLU A 23 0.321 7.786 -0.456 1.00 0.00 C ATOM 312 CG GLU A 23 1.141 7.265 0.713 1.00 0.00 C ATOM 313 CD GLU A 23 2.629 7.491 0.528 1.00 0.00 C ATOM 314 OE1 GLU A 23 3.224 6.834 -0.352 1.00 0.00 O ATOM 315 OE2 GLU A 23 3.197 8.325 1.263 1.00 0.00 O ATOM 0 H GLU A 23 -0.758 8.464 -2.565 1.00 0.00 H new ATOM 0 HA GLU A 23 1.853 7.703 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.314 8.876 -0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.712 7.457 -0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.814 7.756 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.952 6.199 0.838 1.00 0.00 H new ATOM 322 N GLN A 24 -0.301 5.195 -2.008 1.00 0.00 N ATOM 323 CA GLN A 24 -0.405 3.742 -2.074 1.00 0.00 C ATOM 324 C GLN A 24 0.488 3.182 -3.177 1.00 0.00 C ATOM 325 O GLN A 24 1.380 2.374 -2.916 1.00 0.00 O ATOM 326 CB GLN A 24 -1.856 3.324 -2.315 1.00 0.00 C ATOM 327 CG GLN A 24 -2.743 3.470 -1.089 1.00 0.00 C ATOM 328 CD GLN A 24 -4.144 2.938 -1.315 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.341 1.964 -2.044 1.00 0.00 O ATOM 330 NE2 GLN A 24 -5.128 3.574 -0.690 1.00 0.00 N ATOM 0 H GLN A 24 -1.193 5.685 -2.070 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.071 3.335 -1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.269 3.925 -3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.876 2.286 -2.646 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.288 2.941 -0.251 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.799 4.522 -0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.920 4.376 -0.096 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.092 3.260 -0.804 1.00 0.00 H new ATOM 339 N TRP A 25 0.241 3.615 -4.408 1.00 0.00 N ATOM 340 CA TRP A 25 1.023 3.156 -5.550 1.00 0.00 C ATOM 341 C TRP A 25 2.514 3.372 -5.312 1.00 0.00 C ATOM 342 O TRP A 25 3.337 2.528 -5.666 1.00 0.00 O ATOM 343 CB TRP A 25 0.586 3.886 -6.820 1.00 0.00 C ATOM 344 CG TRP A 25 -0.882 3.766 -7.099 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.678 2.685 -6.846 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.727 4.761 -7.687 1.00 0.00 C ATOM 347 NE1 TRP A 25 -2.968 2.949 -7.241 1.00 0.00 N ATOM 348 CE2 TRP A 25 -3.024 4.216 -7.759 1.00 0.00 C ATOM 349 CE3 TRP A 25 -1.516 6.059 -8.157 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -4.102 4.925 -8.283 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -2.586 6.762 -8.678 1.00 0.00 C ATOM 352 CH2 TRP A 25 -3.865 6.195 -8.737 1.00 0.00 C ATOM 0 H TRP A 25 -0.494 4.283 -4.641 1.00 0.00 H new ATOM 0 HA TRP A 25 0.845 2.088 -5.674 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.847 4.941 -6.732 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.143 3.489 -7.669 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.343 1.760 -6.401 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.756 2.306 -7.161 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.534 6.506 -8.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.089 4.489 -8.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.433 7.766 -9.046 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -4.681 6.771 -9.149 1.00 0.00 H new ATOM 363 N TYR A 26 2.854 4.507 -4.711 1.00 0.00 N ATOM 364 CA TYR A 26 4.246 4.834 -4.428 1.00 0.00 C ATOM 365 C TYR A 26 4.907 3.735 -3.602 1.00 0.00 C ATOM 366 O TYR A 26 5.996 3.263 -3.932 1.00 0.00 O ATOM 367 CB TYR A 26 4.337 6.169 -3.687 1.00 0.00 C ATOM 368 CG TYR A 26 5.749 6.557 -3.310 1.00 0.00 C ATOM 369 CD1 TYR A 26 6.658 6.970 -4.276 1.00 0.00 C ATOM 370 CD2 TYR A 26 6.174 6.510 -1.988 1.00 0.00 C ATOM 371 CE1 TYR A 26 7.950 7.325 -3.936 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.462 6.864 -1.639 1.00 0.00 C ATOM 373 CZ TYR A 26 8.347 7.271 -2.616 1.00 0.00 C ATOM 374 OH TYR A 26 9.632 7.623 -2.273 1.00 0.00 O ATOM 0 H TYR A 26 2.185 5.216 -4.411 1.00 0.00 H new ATOM 0 HA TYR A 26 4.774 4.916 -5.378 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.909 6.952 -4.313 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.730 6.115 -2.783 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.350 7.014 -5.310 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.485 6.191 -1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.645 7.643 -4.699 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.775 6.823 -0.606 1.00 0.00 H new ATOM 0 HH TYR A 26 9.749 7.531 -1.304 1.00 0.00 H new ATOM 384 N LEU A 27 4.241 3.331 -2.526 1.00 0.00 N ATOM 385 CA LEU A 27 4.762 2.287 -1.651 1.00 0.00 C ATOM 386 C LEU A 27 5.115 1.035 -2.447 1.00 0.00 C ATOM 387 O LEU A 27 6.251 0.565 -2.411 1.00 0.00 O ATOM 388 CB LEU A 27 3.738 1.944 -0.567 1.00 0.00 C ATOM 389 CG LEU A 27 3.250 3.113 0.289 1.00 0.00 C ATOM 390 CD1 LEU A 27 1.942 2.760 0.979 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.307 3.503 1.312 1.00 0.00 C ATOM 0 H LEU A 27 3.339 3.711 -2.239 1.00 0.00 H new ATOM 0 HA LEU A 27 5.670 2.663 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.873 1.484 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.174 1.194 0.093 1.00 0.00 H new ATOM 0 HG LEU A 27 3.073 3.967 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.610 3.604 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.185 2.531 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.092 1.891 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.942 4.337 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.516 2.653 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.220 3.799 0.796 1.00 0.00 H new ATOM 403 N GLU A 28 4.132 0.501 -3.167 1.00 0.00 N ATOM 404 CA GLU A 28 4.341 -0.695 -3.974 1.00 0.00 C ATOM 405 C GLU A 28 5.671 -0.625 -4.718 1.00 0.00 C ATOM 406 O GLU A 28 6.247 -1.652 -5.079 1.00 0.00 O ATOM 407 CB GLU A 28 3.194 -0.871 -4.971 1.00 0.00 C ATOM 408 CG GLU A 28 2.933 -2.319 -5.350 1.00 0.00 C ATOM 409 CD GLU A 28 2.103 -3.052 -4.314 1.00 0.00 C ATOM 410 OE1 GLU A 28 2.260 -2.756 -3.111 1.00 0.00 O ATOM 411 OE2 GLU A 28 1.298 -3.923 -4.706 1.00 0.00 O ATOM 0 H GLU A 28 3.185 0.878 -3.207 1.00 0.00 H new ATOM 0 HA GLU A 28 4.365 -1.554 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.285 -0.446 -4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.418 -0.303 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.420 -2.352 -6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.885 -2.834 -5.479 1.00 0.00 H new ATOM 418 N ILE A 29 6.151 0.593 -4.945 1.00 0.00 N ATOM 419 CA ILE A 29 7.413 0.797 -5.646 1.00 0.00 C ATOM 420 C ILE A 29 8.587 0.806 -4.672 1.00 0.00 C ATOM 421 O ILE A 29 9.526 0.021 -4.807 1.00 0.00 O ATOM 422 CB ILE A 29 7.409 2.117 -6.440 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.214 2.159 -7.394 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.712 2.277 -7.207 1.00 0.00 C ATOM 425 CD1 ILE A 29 5.862 3.554 -7.861 1.00 0.00 C ATOM 0 H ILE A 29 5.686 1.453 -4.654 1.00 0.00 H new ATOM 0 HA ILE A 29 7.526 -0.035 -6.341 1.00 0.00 H new ATOM 0 HB ILE A 29 7.319 2.946 -5.738 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.431 1.538 -8.263 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.348 1.721 -6.898 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.694 3.214 -7.763 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.547 2.286 -6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.830 1.445 -7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.006 3.507 -8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.613 4.174 -7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.713 3.987 -8.386 1.00 0.00 H new ATOM 437 N VAL A 30 8.527 1.699 -3.690 1.00 0.00 N ATOM 438 CA VAL A 30 9.584 1.810 -2.691 1.00 0.00 C ATOM 439 C VAL A 30 9.750 0.504 -1.921 1.00 0.00 C ATOM 440 O VAL A 30 10.749 0.302 -1.231 1.00 0.00 O ATOM 441 CB VAL A 30 9.297 2.948 -1.694 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.651 4.129 -2.402 1.00 0.00 C ATOM 443 CG2 VAL A 30 8.416 2.451 -0.557 1.00 0.00 C ATOM 0 H VAL A 30 7.758 2.357 -3.564 1.00 0.00 H new ATOM 0 HA VAL A 30 10.506 2.032 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 30 10.244 3.283 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.456 4.923 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.322 4.500 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.712 3.812 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.223 3.268 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.471 2.088 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.922 1.640 -0.032 1.00 0.00 H new ATOM 453 N ASP A 31 8.766 -0.379 -2.045 1.00 0.00 N ATOM 454 CA ASP A 31 8.804 -1.667 -1.362 1.00 0.00 C ATOM 455 C ASP A 31 9.221 -2.778 -2.321 1.00 0.00 C ATOM 456 O ASP A 31 10.037 -3.634 -1.979 1.00 0.00 O ATOM 457 CB ASP A 31 7.437 -1.987 -0.755 1.00 0.00 C ATOM 458 CG ASP A 31 7.540 -2.878 0.467 1.00 0.00 C ATOM 459 OD1 ASP A 31 8.399 -3.785 0.468 1.00 0.00 O ATOM 460 OD2 ASP A 31 6.762 -2.670 1.422 1.00 0.00 O ATOM 0 H ASP A 31 7.932 -0.227 -2.612 1.00 0.00 H new ATOM 0 HA ASP A 31 9.542 -1.605 -0.563 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.937 -1.057 -0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.815 -2.475 -1.505 1.00 0.00 H new ATOM 465 N LYS A 32 8.654 -2.760 -3.522 1.00 0.00 N ATOM 466 CA LYS A 32 8.966 -3.765 -4.531 1.00 0.00 C ATOM 467 C LYS A 32 9.871 -3.186 -5.614 1.00 0.00 C ATOM 468 O LYS A 32 10.911 -3.758 -5.939 1.00 0.00 O ATOM 469 CB LYS A 32 7.679 -4.302 -5.161 1.00 0.00 C ATOM 470 CG LYS A 32 6.602 -4.644 -4.146 1.00 0.00 C ATOM 471 CD LYS A 32 7.047 -5.760 -3.216 1.00 0.00 C ATOM 472 CE LYS A 32 6.398 -5.636 -1.846 1.00 0.00 C ATOM 473 NZ LYS A 32 6.948 -6.627 -0.880 1.00 0.00 N ATOM 0 H LYS A 32 7.975 -2.060 -3.821 1.00 0.00 H new ATOM 0 HA LYS A 32 9.493 -4.584 -4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.288 -3.560 -5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.914 -5.193 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.357 -3.757 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.692 -4.944 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.791 -6.724 -3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.132 -5.736 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.553 -4.628 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.322 -5.779 -1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.480 -6.510 0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.778 -7.589 -1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.971 -6.474 -0.771 1.00 0.00 H new ATOM 487 N GLY A 33 9.469 -2.046 -6.169 1.00 0.00 N ATOM 488 CA GLY A 33 10.256 -1.409 -7.208 1.00 0.00 C ATOM 489 C GLY A 33 9.408 -0.951 -8.378 1.00 0.00 C ATOM 490 O GLY A 33 9.869 -0.185 -9.225 1.00 0.00 O ATOM 0 H GLY A 33 8.612 -1.553 -5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.782 -0.552 -6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.015 -2.106 -7.564 1.00 0.00 H new ATOM 494 N SER A 34 8.166 -1.421 -8.428 1.00 0.00 N ATOM 495 CA SER A 34 7.254 -1.060 -9.507 1.00 0.00 C ATOM 496 C SER A 34 5.804 -1.126 -9.037 1.00 0.00 C ATOM 497 O SER A 34 5.499 -1.732 -8.009 1.00 0.00 O ATOM 498 CB SER A 34 7.457 -1.987 -10.707 1.00 0.00 C ATOM 499 OG SER A 34 6.842 -3.245 -10.488 1.00 0.00 O ATOM 0 H SER A 34 7.768 -2.053 -7.733 1.00 0.00 H new ATOM 0 HA SER A 34 7.474 -0.036 -9.808 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.040 -1.525 -11.602 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.523 -2.126 -10.887 1.00 0.00 H new ATOM 0 HG SER A 34 6.984 -3.819 -11.269 1.00 0.00 H new ATOM 505 N VAL A 35 4.913 -0.499 -9.798 1.00 0.00 N ATOM 506 CA VAL A 35 3.494 -0.487 -9.462 1.00 0.00 C ATOM 507 C VAL A 35 2.648 -0.975 -10.632 1.00 0.00 C ATOM 508 O VAL A 35 2.956 -0.701 -11.792 1.00 0.00 O ATOM 509 CB VAL A 35 3.025 0.924 -9.057 1.00 0.00 C ATOM 510 CG1 VAL A 35 3.107 1.874 -10.242 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.611 0.875 -8.499 1.00 0.00 C ATOM 0 H VAL A 35 5.149 0.007 -10.651 1.00 0.00 H new ATOM 0 HA VAL A 35 3.363 -1.162 -8.616 1.00 0.00 H new ATOM 0 HB VAL A 35 3.687 1.298 -8.276 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.772 2.865 -9.937 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.138 1.931 -10.592 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.470 1.507 -11.047 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.296 1.880 -8.218 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.934 0.481 -9.257 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.588 0.229 -7.621 1.00 0.00 H new ATOM 521 N SER A 36 1.579 -1.701 -10.320 1.00 0.00 N ATOM 522 CA SER A 36 0.689 -2.232 -11.345 1.00 0.00 C ATOM 523 C SER A 36 -0.466 -1.271 -11.612 1.00 0.00 C ATOM 524 O SER A 36 -0.677 -0.314 -10.868 1.00 0.00 O ATOM 525 CB SER A 36 0.144 -3.597 -10.922 1.00 0.00 C ATOM 526 OG SER A 36 -0.758 -4.108 -11.887 1.00 0.00 O ATOM 0 H SER A 36 1.308 -1.935 -9.365 1.00 0.00 H new ATOM 0 HA SER A 36 1.263 -2.348 -12.264 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.970 -4.295 -10.786 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.360 -3.508 -9.960 1.00 0.00 H new ATOM 0 HG SER A 36 -1.091 -4.982 -11.594 1.00 0.00 H new ATOM 532 N CYS A 37 -1.211 -1.535 -12.681 1.00 0.00 N ATOM 533 CA CYS A 37 -2.345 -0.695 -13.048 1.00 0.00 C ATOM 534 C CYS A 37 -3.610 -1.141 -12.322 1.00 0.00 C ATOM 535 O CYS A 37 -4.025 -2.298 -12.399 1.00 0.00 O ATOM 536 CB CYS A 37 -2.569 -0.739 -14.561 1.00 0.00 C ATOM 537 SG CYS A 37 -3.927 0.327 -15.143 1.00 0.00 S ATOM 0 H CYS A 37 -1.050 -2.323 -13.308 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.119 0.329 -12.750 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.648 -0.442 -15.063 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.776 -1.767 -14.857 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.571 0.923 -16.242 1.00 0.00 H new ATOM 542 N PRO A 38 -4.240 -0.203 -11.600 1.00 0.00 N ATOM 543 CA PRO A 38 -5.468 -0.475 -10.846 1.00 0.00 C ATOM 544 C PRO A 38 -6.666 -0.717 -11.758 1.00 0.00 C ATOM 545 O PRO A 38 -7.722 -1.163 -11.308 1.00 0.00 O ATOM 546 CB PRO A 38 -5.670 0.800 -10.025 1.00 0.00 C ATOM 547 CG PRO A 38 -4.975 1.865 -10.801 1.00 0.00 C ATOM 548 CD PRO A 38 -3.802 1.197 -11.463 1.00 0.00 C ATOM 0 HA PRO A 38 -5.384 -1.378 -10.242 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.729 1.027 -9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.247 0.698 -9.026 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.642 2.306 -11.542 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.646 2.673 -10.147 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.578 1.645 -12.431 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.899 1.278 -10.858 1.00 0.00 H new ATOM 556 N THR A 39 -6.496 -0.419 -13.043 1.00 0.00 N ATOM 557 CA THR A 39 -7.563 -0.604 -14.018 1.00 0.00 C ATOM 558 C THR A 39 -7.531 -2.008 -14.609 1.00 0.00 C ATOM 559 O THR A 39 -8.457 -2.797 -14.413 1.00 0.00 O ATOM 560 CB THR A 39 -7.464 0.424 -15.160 1.00 0.00 C ATOM 561 OG1 THR A 39 -7.448 1.752 -14.625 1.00 0.00 O ATOM 562 CG2 THR A 39 -8.631 0.276 -16.125 1.00 0.00 C ATOM 0 H THR A 39 -5.629 -0.048 -13.432 1.00 0.00 H new ATOM 0 HA THR A 39 -8.504 -0.458 -13.488 1.00 0.00 H new ATOM 0 HB THR A 39 -6.537 0.240 -15.704 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.383 2.399 -15.358 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.539 1.013 -16.923 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.624 -0.726 -16.554 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.568 0.435 -15.590 1.00 0.00 H new ATOM 570 N CYS A 40 -6.460 -2.317 -15.332 1.00 0.00 N ATOM 571 CA CYS A 40 -6.307 -3.627 -15.953 1.00 0.00 C ATOM 572 C CYS A 40 -5.638 -4.608 -14.994 1.00 0.00 C ATOM 573 O CYS A 40 -5.996 -5.784 -14.946 1.00 0.00 O ATOM 574 CB CYS A 40 -5.485 -3.513 -17.238 1.00 0.00 C ATOM 575 SG CYS A 40 -3.912 -2.617 -17.038 1.00 0.00 S ATOM 0 H CYS A 40 -5.684 -1.677 -15.502 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.300 -4.004 -16.197 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.275 -4.515 -17.612 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.084 -3.009 -17.996 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.131 -1.483 -16.441 1.00 0.00 H new ATOM 580 N GLN A 41 -4.667 -4.114 -14.233 1.00 0.00 N ATOM 581 CA GLN A 41 -3.948 -4.946 -13.276 1.00 0.00 C ATOM 582 C GLN A 41 -3.181 -6.056 -13.988 1.00 0.00 C ATOM 583 O GLN A 41 -3.135 -7.192 -13.518 1.00 0.00 O ATOM 584 CB GLN A 41 -4.922 -5.552 -12.263 1.00 0.00 C ATOM 585 CG GLN A 41 -5.701 -4.514 -11.473 1.00 0.00 C ATOM 586 CD GLN A 41 -6.447 -5.115 -10.297 1.00 0.00 C ATOM 587 OE1 GLN A 41 -7.476 -5.769 -10.469 1.00 0.00 O ATOM 588 NE2 GLN A 41 -5.931 -4.896 -9.094 1.00 0.00 N ATOM 0 H GLN A 41 -4.360 -3.142 -14.261 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.232 -4.315 -12.749 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.624 -6.199 -12.789 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.366 -6.183 -11.569 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.015 -3.749 -11.110 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.412 -4.018 -12.134 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.076 -4.348 -8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.389 -5.276 -8.266 1.00 0.00 H new ATOM 597 N ALA A 42 -2.580 -5.717 -15.124 1.00 0.00 N ATOM 598 CA ALA A 42 -1.813 -6.684 -15.900 1.00 0.00 C ATOM 599 C ALA A 42 -0.398 -6.179 -16.162 1.00 0.00 C ATOM 600 O ALA A 42 0.560 -6.952 -16.148 1.00 0.00 O ATOM 601 CB ALA A 42 -2.520 -6.986 -17.213 1.00 0.00 C ATOM 0 H ALA A 42 -2.609 -4.781 -15.527 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.740 -7.604 -15.319 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.936 -7.709 -17.782 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.508 -7.398 -17.008 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.623 -6.067 -17.791 1.00 0.00 H new ATOM 607 N VAL A 43 -0.274 -4.878 -16.402 1.00 0.00 N ATOM 608 CA VAL A 43 1.024 -4.270 -16.668 1.00 0.00 C ATOM 609 C VAL A 43 1.251 -3.051 -15.781 1.00 0.00 C ATOM 610 O VAL A 43 0.371 -2.204 -15.634 1.00 0.00 O ATOM 611 CB VAL A 43 1.155 -3.849 -18.144 1.00 0.00 C ATOM 612 CG1 VAL A 43 1.147 -5.070 -19.050 1.00 0.00 C ATOM 613 CG2 VAL A 43 0.041 -2.885 -18.524 1.00 0.00 C ATOM 0 H VAL A 43 -1.057 -4.224 -16.418 1.00 0.00 H new ATOM 0 HA VAL A 43 1.779 -5.024 -16.445 1.00 0.00 H new ATOM 0 HB VAL A 43 2.108 -3.336 -18.274 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.240 -4.753 -20.089 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.983 -5.720 -18.792 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.211 -5.614 -18.919 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.149 -2.598 -19.570 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.925 -3.369 -18.379 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.099 -1.996 -17.896 1.00 0.00 H new ATOM 623 N GLY A 44 2.440 -2.968 -15.191 1.00 0.00 N ATOM 624 CA GLY A 44 2.763 -1.849 -14.325 1.00 0.00 C ATOM 625 C GLY A 44 3.855 -0.968 -14.900 1.00 0.00 C ATOM 626 O GLY A 44 4.223 -1.105 -16.066 1.00 0.00 O ATOM 0 H GLY A 44 3.185 -3.656 -15.298 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.867 -1.251 -14.160 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.079 -2.226 -13.352 1.00 0.00 H new ATOM 630 N ARG A 45 4.373 -0.060 -14.079 1.00 0.00 N ATOM 631 CA ARG A 45 5.427 0.849 -14.513 1.00 0.00 C ATOM 632 C ARG A 45 6.487 1.010 -13.427 1.00 0.00 C ATOM 633 O ARG A 45 6.278 0.621 -12.277 1.00 0.00 O ATOM 634 CB ARG A 45 4.837 2.214 -14.872 1.00 0.00 C ATOM 635 CG ARG A 45 5.525 2.883 -16.050 1.00 0.00 C ATOM 636 CD ARG A 45 5.144 2.224 -17.366 1.00 0.00 C ATOM 637 NE ARG A 45 6.078 2.561 -18.438 1.00 0.00 N ATOM 638 CZ ARG A 45 5.983 2.081 -19.673 1.00 0.00 C ATOM 639 NH1 ARG A 45 5.001 1.249 -19.991 1.00 0.00 N ATOM 640 NH2 ARG A 45 6.871 2.434 -20.593 1.00 0.00 N ATOM 0 H ARG A 45 4.080 0.066 -13.110 1.00 0.00 H new ATOM 0 HA ARG A 45 5.900 0.422 -15.397 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.778 2.094 -15.101 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.903 2.869 -14.003 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.255 3.939 -16.079 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.606 2.834 -15.917 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.117 1.142 -17.235 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.139 2.536 -17.650 1.00 0.00 H new ATOM 0 HE ARG A 45 6.845 3.200 -18.227 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.316 0.976 -19.287 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.931 0.882 -20.940 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.628 3.074 -20.352 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.797 2.065 -21.541 1.00 0.00 H new ATOM 654 N LYS A 46 7.625 1.586 -13.799 1.00 0.00 N ATOM 655 CA LYS A 46 8.718 1.801 -12.858 1.00 0.00 C ATOM 656 C LYS A 46 8.295 2.748 -11.740 1.00 0.00 C ATOM 657 O LYS A 46 8.822 2.688 -10.628 1.00 0.00 O ATOM 658 CB LYS A 46 9.940 2.366 -13.585 1.00 0.00 C ATOM 659 CG LYS A 46 10.820 1.300 -14.216 1.00 0.00 C ATOM 660 CD LYS A 46 10.294 0.879 -15.578 1.00 0.00 C ATOM 661 CE LYS A 46 10.586 1.929 -16.638 1.00 0.00 C ATOM 662 NZ LYS A 46 10.586 1.349 -18.009 1.00 0.00 N ATOM 0 H LYS A 46 7.815 1.913 -14.747 1.00 0.00 H new ATOM 0 HA LYS A 46 8.978 0.839 -12.416 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.605 3.054 -14.361 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.535 2.946 -12.880 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.837 1.680 -14.319 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.869 0.431 -13.559 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.749 -0.068 -15.868 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.219 0.711 -15.518 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.840 2.721 -16.579 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.554 2.387 -16.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.789 2.097 -18.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.315 0.610 -18.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.654 0.934 -18.210 1.00 0.00 H new ATOM 676 N THR A 47 7.339 3.622 -12.040 1.00 0.00 N ATOM 677 CA THR A 47 6.846 4.581 -11.060 1.00 0.00 C ATOM 678 C THR A 47 5.430 5.033 -11.399 1.00 0.00 C ATOM 679 O THR A 47 4.825 4.548 -12.356 1.00 0.00 O ATOM 680 CB THR A 47 7.760 5.818 -10.974 1.00 0.00 C ATOM 681 OG1 THR A 47 8.301 6.118 -12.266 1.00 0.00 O ATOM 682 CG2 THR A 47 8.893 5.585 -9.986 1.00 0.00 C ATOM 0 H THR A 47 6.891 3.685 -12.954 1.00 0.00 H new ATOM 0 HA THR A 47 6.843 4.074 -10.095 1.00 0.00 H new ATOM 0 HB THR A 47 7.163 6.661 -10.626 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.880 6.907 -12.203 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.525 6.472 -9.942 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.479 5.385 -8.998 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.488 4.731 -10.309 1.00 0.00 H new ATOM 690 N ILE A 48 4.906 5.965 -10.609 1.00 0.00 N ATOM 691 CA ILE A 48 3.562 6.483 -10.827 1.00 0.00 C ATOM 692 C ILE A 48 3.504 7.355 -12.077 1.00 0.00 C ATOM 693 O ILE A 48 2.717 7.100 -12.987 1.00 0.00 O ATOM 694 CB ILE A 48 3.072 7.305 -9.620 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.290 6.524 -8.322 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.604 7.667 -9.786 1.00 0.00 C ATOM 697 CD1 ILE A 48 3.021 7.337 -7.075 1.00 0.00 C ATOM 0 H ILE A 48 5.393 6.376 -9.812 1.00 0.00 H new ATOM 0 HA ILE A 48 2.910 5.620 -10.958 1.00 0.00 H new ATOM 0 HB ILE A 48 3.650 8.228 -9.569 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.642 5.648 -8.321 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.317 6.161 -8.294 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.273 8.248 -8.925 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.475 8.257 -10.693 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.011 6.756 -9.859 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.196 6.720 -6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.687 8.199 -7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.986 7.678 -7.080 1.00 0.00 H new ATOM 709 N GLU A 49 4.346 8.383 -12.114 1.00 0.00 N ATOM 710 CA GLU A 49 4.391 9.292 -13.254 1.00 0.00 C ATOM 711 C GLU A 49 4.097 8.549 -14.554 1.00 0.00 C ATOM 712 O GLU A 49 3.212 8.936 -15.316 1.00 0.00 O ATOM 713 CB GLU A 49 5.760 9.969 -13.340 1.00 0.00 C ATOM 714 CG GLU A 49 5.880 11.212 -12.474 1.00 0.00 C ATOM 715 CD GLU A 49 7.119 12.027 -12.790 1.00 0.00 C ATOM 716 OE1 GLU A 49 8.203 11.683 -12.272 1.00 0.00 O ATOM 717 OE2 GLU A 49 7.006 13.007 -13.555 1.00 0.00 O ATOM 0 H GLU A 49 5.005 8.607 -11.369 1.00 0.00 H new ATOM 0 HA GLU A 49 3.625 10.054 -13.109 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.528 9.255 -13.044 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.958 10.239 -14.377 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.996 11.834 -12.613 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.901 10.918 -11.425 1.00 0.00 H new ATOM 724 N GLY A 50 4.847 7.479 -14.801 1.00 0.00 N ATOM 725 CA GLY A 50 4.652 6.699 -16.009 1.00 0.00 C ATOM 726 C GLY A 50 3.276 6.065 -16.074 1.00 0.00 C ATOM 727 O GLY A 50 2.614 6.107 -17.112 1.00 0.00 O ATOM 0 H GLY A 50 5.586 7.139 -14.186 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.795 7.340 -16.879 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.411 5.918 -16.060 1.00 0.00 H new ATOM 731 N LEU A 51 2.845 5.476 -14.965 1.00 0.00 N ATOM 732 CA LEU A 51 1.539 4.829 -14.901 1.00 0.00 C ATOM 733 C LEU A 51 0.424 5.821 -15.213 1.00 0.00 C ATOM 734 O LEU A 51 -0.413 5.577 -16.083 1.00 0.00 O ATOM 735 CB LEU A 51 1.319 4.216 -13.516 1.00 0.00 C ATOM 736 CG LEU A 51 -0.125 3.858 -13.162 1.00 0.00 C ATOM 737 CD1 LEU A 51 -0.465 2.462 -13.660 1.00 0.00 C ATOM 738 CD2 LEU A 51 -0.347 3.961 -11.661 1.00 0.00 C ATOM 0 H LEU A 51 3.380 5.433 -14.098 1.00 0.00 H new ATOM 0 HA LEU A 51 1.516 4.038 -15.650 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.925 3.313 -13.440 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.693 4.915 -12.768 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.788 4.569 -13.656 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.496 2.224 -13.399 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.346 2.423 -14.743 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.203 1.737 -13.195 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.380 3.703 -11.427 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.324 3.274 -11.146 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.145 4.980 -11.332 1.00 0.00 H new ATOM 750 N LYS A 52 0.419 6.942 -14.500 1.00 0.00 N ATOM 751 CA LYS A 52 -0.590 7.975 -14.703 1.00 0.00 C ATOM 752 C LYS A 52 -0.945 8.106 -16.181 1.00 0.00 C ATOM 753 O LYS A 52 -2.114 8.030 -16.559 1.00 0.00 O ATOM 754 CB LYS A 52 -0.091 9.318 -14.166 1.00 0.00 C ATOM 755 CG LYS A 52 0.011 9.367 -12.651 1.00 0.00 C ATOM 756 CD LYS A 52 -0.138 10.786 -12.128 1.00 0.00 C ATOM 757 CE LYS A 52 1.154 11.574 -12.280 1.00 0.00 C ATOM 758 NZ LYS A 52 1.351 12.051 -13.677 1.00 0.00 N ATOM 0 H LYS A 52 1.103 7.159 -13.775 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.487 7.684 -14.156 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.888 9.530 -14.595 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.764 10.107 -14.502 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.760 8.734 -12.213 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.973 8.961 -12.337 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.939 11.291 -12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.428 10.759 -11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.140 12.428 -11.603 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.997 10.949 -11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.814 12.982 -13.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.948 11.374 -14.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.428 12.130 -14.150 1.00 0.00 H new ATOM 772 N LYS A 53 0.072 8.303 -17.013 1.00 0.00 N ATOM 773 CA LYS A 53 -0.131 8.443 -18.450 1.00 0.00 C ATOM 774 C LYS A 53 -0.828 7.213 -19.023 1.00 0.00 C ATOM 775 O LYS A 53 -1.647 7.321 -19.937 1.00 0.00 O ATOM 776 CB LYS A 53 1.210 8.657 -19.157 1.00 0.00 C ATOM 777 CG LYS A 53 1.097 8.715 -20.670 1.00 0.00 C ATOM 778 CD LYS A 53 0.529 10.046 -21.136 1.00 0.00 C ATOM 779 CE LYS A 53 1.626 11.080 -21.337 1.00 0.00 C ATOM 780 NZ LYS A 53 1.078 12.387 -21.795 1.00 0.00 N ATOM 0 H LYS A 53 1.046 8.369 -16.717 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.767 9.312 -18.619 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.656 9.585 -18.799 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.889 7.850 -18.882 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.080 8.562 -21.115 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.459 7.904 -21.020 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.014 9.904 -22.070 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.189 10.413 -20.403 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.168 11.221 -20.402 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.344 10.710 -22.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.857 13.065 -21.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.582 12.258 -22.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.412 12.752 -21.085 1.00 0.00 H new ATOM 794 N HIS A 54 -0.501 6.045 -18.480 1.00 0.00 N ATOM 795 CA HIS A 54 -1.098 4.795 -18.936 1.00 0.00 C ATOM 796 C HIS A 54 -2.584 4.747 -18.594 1.00 0.00 C ATOM 797 O HIS A 54 -3.425 4.528 -19.465 1.00 0.00 O ATOM 798 CB HIS A 54 -0.378 3.602 -18.307 1.00 0.00 C ATOM 799 CG HIS A 54 -1.019 2.284 -18.618 1.00 0.00 C ATOM 800 ND1 HIS A 54 -2.139 1.706 -18.124 1.00 0.00 N flip ATOM 801 CD2 HIS A 54 -0.503 1.395 -19.537 1.00 0.00 C flip ATOM 802 CE1 HIS A 54 -2.279 0.491 -18.748 1.00 0.00 C flip ATOM 803 NE2 HIS A 54 -1.279 0.327 -19.596 1.00 0.00 N flip ATOM 0 H HIS A 54 0.174 5.938 -17.723 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.991 4.743 -20.019 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.655 3.586 -18.656 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.347 3.736 -17.226 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.395 1.548 -20.118 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -3.077 -0.216 -18.574 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.131 -0.486 -20.194 1.00 0.00 H new ATOM 811 N MET A 55 -2.900 4.951 -17.319 1.00 0.00 N ATOM 812 CA MET A 55 -4.284 4.931 -16.862 1.00 0.00 C ATOM 813 C MET A 55 -5.070 6.097 -17.455 1.00 0.00 C ATOM 814 O MET A 55 -6.294 6.040 -17.563 1.00 0.00 O ATOM 815 CB MET A 55 -4.341 4.987 -15.334 1.00 0.00 C ATOM 816 CG MET A 55 -3.828 6.296 -14.755 1.00 0.00 C ATOM 817 SD MET A 55 -4.463 6.618 -13.099 1.00 0.00 S ATOM 818 CE MET A 55 -4.556 4.954 -12.442 1.00 0.00 C ATOM 0 H MET A 55 -2.216 5.132 -16.584 1.00 0.00 H new ATOM 0 HA MET A 55 -4.738 4.000 -17.201 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.371 4.835 -15.011 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.754 4.164 -14.926 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.739 6.273 -14.724 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.111 7.116 -15.415 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.583 4.994 -11.353 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.460 4.468 -12.810 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.682 4.387 -12.763 1.00 0.00 H new ATOM 828 N GLU A 56 -4.356 7.152 -17.836 1.00 0.00 N ATOM 829 CA GLU A 56 -4.988 8.331 -18.417 1.00 0.00 C ATOM 830 C GLU A 56 -5.864 7.948 -19.606 1.00 0.00 C ATOM 831 O GLU A 56 -6.795 8.670 -19.963 1.00 0.00 O ATOM 832 CB GLU A 56 -3.927 9.342 -18.854 1.00 0.00 C ATOM 833 CG GLU A 56 -3.603 10.381 -17.794 1.00 0.00 C ATOM 834 CD GLU A 56 -3.192 11.714 -18.390 1.00 0.00 C ATOM 835 OE1 GLU A 56 -3.825 12.142 -19.378 1.00 0.00 O ATOM 836 OE2 GLU A 56 -2.237 12.328 -17.870 1.00 0.00 O ATOM 0 H GLU A 56 -3.341 7.214 -17.753 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.620 8.786 -17.655 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.014 8.807 -19.117 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.270 9.850 -19.755 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.474 10.526 -17.155 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.800 10.008 -17.159 1.00 0.00 H new ATOM 958 N THR A 64 -20.691 -6.645 -17.706 1.00 0.00 N ATOM 959 CA THR A 64 -20.948 -8.065 -17.497 1.00 0.00 C ATOM 960 C THR A 64 -22.440 -8.368 -17.561 1.00 0.00 C ATOM 961 O THR A 64 -23.208 -7.946 -16.696 1.00 0.00 O ATOM 962 CB THR A 64 -20.396 -8.541 -16.140 1.00 0.00 C ATOM 963 OG1 THR A 64 -19.027 -8.146 -16.001 1.00 0.00 O ATOM 964 CG2 THR A 64 -20.508 -10.053 -16.011 1.00 0.00 C ATOM 0 HA THR A 64 -20.437 -8.601 -18.297 1.00 0.00 H new ATOM 0 HB THR A 64 -20.988 -8.079 -15.350 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.894 -7.273 -16.426 1.00 0.00 H new ATOM 0 HG21 THR A 64 -20.112 -10.366 -15.045 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.555 -10.348 -16.087 1.00 0.00 H new ATOM 0 HG23 THR A 64 -19.938 -10.529 -16.808 1.00 0.00 H new ATOM 972 N CYS A 65 -22.846 -9.104 -18.591 1.00 0.00 N ATOM 973 CA CYS A 65 -24.247 -9.465 -18.768 1.00 0.00 C ATOM 974 C CYS A 65 -24.805 -10.114 -17.506 1.00 0.00 C ATOM 975 O CYS A 65 -24.053 -10.578 -16.648 1.00 0.00 O ATOM 976 CB CYS A 65 -24.404 -10.416 -19.956 1.00 0.00 C ATOM 977 SG CYS A 65 -25.934 -11.404 -19.921 1.00 0.00 S ATOM 0 H CYS A 65 -22.224 -9.462 -19.316 1.00 0.00 H new ATOM 0 HA CYS A 65 -24.809 -8.552 -18.965 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -24.380 -9.835 -20.878 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -23.549 -11.091 -19.983 1.00 0.00 H new ATOM 0 HG CYS A 65 -26.880 -10.760 -20.537 1.00 0.00 H new ATOM 982 N HIS A 66 -26.130 -10.144 -17.398 1.00 0.00 N ATOM 983 CA HIS A 66 -26.790 -10.738 -16.241 1.00 0.00 C ATOM 984 C HIS A 66 -27.396 -12.092 -16.596 1.00 0.00 C ATOM 985 O HIS A 66 -27.329 -13.039 -15.811 1.00 0.00 O ATOM 986 CB HIS A 66 -27.879 -9.803 -15.713 1.00 0.00 C ATOM 987 CG HIS A 66 -27.403 -8.401 -15.480 1.00 0.00 C ATOM 988 ND1 HIS A 66 -27.819 -7.329 -16.241 1.00 0.00 N ATOM 989 CD2 HIS A 66 -26.543 -7.899 -14.564 1.00 0.00 C ATOM 990 CE1 HIS A 66 -27.234 -6.229 -15.803 1.00 0.00 C ATOM 991 NE2 HIS A 66 -26.455 -6.547 -14.786 1.00 0.00 N ATOM 0 H HIS A 66 -26.767 -9.764 -18.098 1.00 0.00 H new ATOM 0 HA HIS A 66 -26.040 -10.887 -15.464 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -28.706 -9.784 -16.423 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -28.270 -10.205 -14.779 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -26.023 -8.458 -13.800 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -27.370 -5.237 -16.208 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -25.881 -5.894 -14.252 1.00 0.00 H new ATOM 999 N HIS A 67 -27.986 -12.178 -17.784 1.00 0.00 N ATOM 1000 CA HIS A 67 -28.604 -13.418 -18.243 1.00 0.00 C ATOM 1001 C HIS A 67 -27.667 -14.603 -18.028 1.00 0.00 C ATOM 1002 O HIS A 67 -27.988 -15.535 -17.291 1.00 0.00 O ATOM 1003 CB HIS A 67 -28.977 -13.309 -19.722 1.00 0.00 C ATOM 1004 CG HIS A 67 -30.304 -12.655 -19.958 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -31.440 -13.359 -20.296 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -30.672 -11.354 -19.902 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -32.449 -12.519 -20.439 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -32.010 -11.296 -20.205 1.00 0.00 N ATOM 0 H HIS A 67 -28.049 -11.405 -18.446 1.00 0.00 H new ATOM 0 HA HIS A 67 -29.510 -13.583 -17.659 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -28.204 -12.743 -20.242 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -28.990 -14.307 -20.160 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -30.032 -10.517 -19.663 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -33.461 -12.787 -20.703 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -32.573 -10.446 -20.243 1.00 0.00 H new ATOM 1016 N CYS A 68 -26.509 -14.561 -18.678 1.00 0.00 N ATOM 1017 CA CYS A 68 -25.526 -15.631 -18.559 1.00 0.00 C ATOM 1018 C CYS A 68 -24.325 -15.178 -17.735 1.00 0.00 C ATOM 1019 O CYS A 68 -23.837 -15.910 -16.875 1.00 0.00 O ATOM 1020 CB CYS A 68 -25.065 -16.084 -19.946 1.00 0.00 C ATOM 1021 SG CYS A 68 -24.208 -14.793 -20.903 1.00 0.00 S ATOM 0 H CYS A 68 -26.228 -13.797 -19.293 1.00 0.00 H new ATOM 0 HA CYS A 68 -25.999 -16.470 -18.048 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -24.400 -16.940 -19.834 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -25.932 -16.425 -20.512 1.00 0.00 H new ATOM 0 HG CYS A 68 -24.743 -13.636 -20.647 1.00 0.00 H new ATOM 1026 N GLY A 69 -23.853 -13.964 -18.004 1.00 0.00 N ATOM 1027 CA GLY A 69 -22.713 -13.434 -17.279 1.00 0.00 C ATOM 1028 C GLY A 69 -21.492 -13.267 -18.161 1.00 0.00 C ATOM 1029 O GLY A 69 -20.359 -13.410 -17.699 1.00 0.00 O ATOM 0 H GLY A 69 -24.240 -13.339 -18.711 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -22.979 -12.470 -16.845 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -22.471 -14.100 -16.451 1.00 0.00 H new ATOM 1033 N LYS A 70 -21.720 -12.966 -19.434 1.00 0.00 N ATOM 1034 CA LYS A 70 -20.630 -12.780 -20.384 1.00 0.00 C ATOM 1035 C LYS A 70 -19.853 -11.504 -20.078 1.00 0.00 C ATOM 1036 O LYS A 70 -20.382 -10.577 -19.467 1.00 0.00 O ATOM 1037 CB LYS A 70 -21.175 -12.728 -21.814 1.00 0.00 C ATOM 1038 CG LYS A 70 -20.155 -13.122 -22.868 1.00 0.00 C ATOM 1039 CD LYS A 70 -20.399 -12.395 -24.180 1.00 0.00 C ATOM 1040 CE LYS A 70 -21.319 -13.189 -25.095 1.00 0.00 C ATOM 1041 NZ LYS A 70 -20.589 -14.270 -25.812 1.00 0.00 N ATOM 0 H LYS A 70 -22.651 -12.845 -19.832 1.00 0.00 H new ATOM 0 HA LYS A 70 -19.952 -13.628 -20.291 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -22.037 -13.390 -21.890 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -21.529 -11.718 -22.022 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -19.152 -12.896 -22.507 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.199 -14.198 -23.034 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.839 -11.418 -23.979 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.448 -12.220 -24.682 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.128 -13.624 -24.508 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -21.778 -12.517 -25.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -21.250 -14.788 -26.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.833 -13.853 -26.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.173 -14.926 -25.120 1.00 0.00 H new ATOM 1055 N GLN A 71 -18.596 -11.464 -20.508 1.00 0.00 N ATOM 1056 CA GLN A 71 -17.747 -10.301 -20.280 1.00 0.00 C ATOM 1057 C GLN A 71 -17.030 -9.889 -21.561 1.00 0.00 C ATOM 1058 O GLN A 71 -16.117 -10.576 -22.022 1.00 0.00 O ATOM 1059 CB GLN A 71 -16.724 -10.597 -19.181 1.00 0.00 C ATOM 1060 CG GLN A 71 -17.282 -10.450 -17.775 1.00 0.00 C ATOM 1061 CD GLN A 71 -16.201 -10.200 -16.742 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -15.217 -10.935 -16.665 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -16.379 -9.156 -15.940 1.00 0.00 N ATOM 0 H GLN A 71 -18.143 -12.224 -21.016 1.00 0.00 H new ATOM 0 HA GLN A 71 -18.384 -9.476 -19.961 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -16.348 -11.612 -19.310 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -15.873 -9.925 -19.297 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.995 -9.626 -17.756 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -17.831 -11.353 -17.510 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.210 -8.573 -16.039 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.685 -8.938 -15.226 1.00 0.00 H new ATOM 1072 N LEU A 72 -17.450 -8.766 -22.133 1.00 0.00 N ATOM 1073 CA LEU A 72 -16.847 -8.263 -23.363 1.00 0.00 C ATOM 1074 C LEU A 72 -16.444 -6.800 -23.213 1.00 0.00 C ATOM 1075 O LEU A 72 -17.123 -6.024 -22.540 1.00 0.00 O ATOM 1076 CB LEU A 72 -17.822 -8.417 -24.532 1.00 0.00 C ATOM 1077 CG LEU A 72 -18.166 -9.852 -24.934 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -19.413 -9.878 -25.804 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -16.995 -10.499 -25.657 1.00 0.00 C ATOM 0 H LEU A 72 -18.205 -8.187 -21.766 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.951 -8.849 -23.565 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.747 -7.900 -24.278 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -17.401 -7.909 -25.400 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.368 -10.424 -24.028 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -19.642 -10.907 -26.080 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.252 -9.455 -25.251 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.240 -9.290 -26.706 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -17.258 -11.519 -25.935 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.761 -9.927 -26.555 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.126 -10.515 -25.000 1.00 0.00 H new ATOM 1091 N ARG A 73 -15.336 -6.429 -23.846 1.00 0.00 N ATOM 1092 CA ARG A 73 -14.843 -5.058 -23.784 1.00 0.00 C ATOM 1093 C ARG A 73 -15.836 -4.093 -24.423 1.00 0.00 C ATOM 1094 O ARG A 73 -16.307 -3.155 -23.781 1.00 0.00 O ATOM 1095 CB ARG A 73 -13.487 -4.949 -24.484 1.00 0.00 C ATOM 1096 CG ARG A 73 -12.859 -3.569 -24.385 1.00 0.00 C ATOM 1097 CD ARG A 73 -11.686 -3.420 -25.340 1.00 0.00 C ATOM 1098 NE ARG A 73 -12.099 -3.535 -26.737 1.00 0.00 N ATOM 1099 CZ ARG A 73 -11.380 -3.078 -27.756 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -10.219 -2.478 -27.536 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -11.823 -3.220 -28.998 1.00 0.00 N ATOM 0 H ARG A 73 -14.763 -7.058 -24.408 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.725 -4.788 -22.734 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.805 -5.681 -24.052 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.609 -5.209 -25.536 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.609 -2.810 -24.608 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.522 -3.394 -23.363 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.210 -2.452 -25.181 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.939 -4.183 -25.119 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.988 -3.991 -26.941 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.875 -2.366 -26.582 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.669 -2.128 -28.321 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.717 -3.680 -29.171 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.270 -2.869 -29.780 1.00 0.00 H new ATOM 1115 N SER A 74 -16.150 -4.330 -25.693 1.00 0.00 N ATOM 1116 CA SER A 74 -17.084 -3.480 -26.421 1.00 0.00 C ATOM 1117 C SER A 74 -18.519 -3.736 -25.969 1.00 0.00 C ATOM 1118 O SER A 74 -19.060 -4.825 -26.169 1.00 0.00 O ATOM 1119 CB SER A 74 -16.961 -3.722 -27.927 1.00 0.00 C ATOM 1120 OG SER A 74 -17.089 -5.100 -28.233 1.00 0.00 O ATOM 0 H SER A 74 -15.771 -5.104 -26.239 1.00 0.00 H new ATOM 0 HA SER A 74 -16.834 -2.441 -26.206 1.00 0.00 H new ATOM 0 HB2 SER A 74 -17.729 -3.156 -28.454 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.997 -3.356 -28.280 1.00 0.00 H new ATOM 0 HG SER A 74 -17.745 -5.509 -27.631 1.00 0.00 H new ATOM 1126 N LEU A 75 -19.130 -2.727 -25.359 1.00 0.00 N ATOM 1127 CA LEU A 75 -20.502 -2.842 -24.877 1.00 0.00 C ATOM 1128 C LEU A 75 -21.442 -3.257 -26.005 1.00 0.00 C ATOM 1129 O LEU A 75 -22.285 -4.136 -25.831 1.00 0.00 O ATOM 1130 CB LEU A 75 -20.965 -1.514 -24.275 1.00 0.00 C ATOM 1131 CG LEU A 75 -22.418 -1.461 -23.802 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -22.612 -2.339 -22.575 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -22.831 -0.027 -23.505 1.00 0.00 C ATOM 0 H LEU A 75 -18.697 -1.820 -25.186 1.00 0.00 H new ATOM 0 HA LEU A 75 -20.527 -3.612 -24.106 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.320 -1.277 -23.429 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.817 -0.730 -25.018 1.00 0.00 H new ATOM 0 HG LEU A 75 -23.054 -1.842 -24.601 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -23.652 -2.289 -22.252 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -22.358 -3.370 -22.821 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -21.965 -1.988 -21.771 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -23.868 -0.009 -23.170 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -22.190 0.382 -22.724 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -22.731 0.575 -24.408 1.00 0.00 H new ATOM 1145 N ALA A 76 -21.288 -2.620 -27.161 1.00 0.00 N ATOM 1146 CA ALA A 76 -22.120 -2.926 -28.318 1.00 0.00 C ATOM 1147 C ALA A 76 -22.167 -4.428 -28.578 1.00 0.00 C ATOM 1148 O ALA A 76 -23.227 -5.048 -28.505 1.00 0.00 O ATOM 1149 CB ALA A 76 -21.605 -2.192 -29.547 1.00 0.00 C ATOM 0 H ALA A 76 -20.595 -1.889 -27.321 1.00 0.00 H new ATOM 0 HA ALA A 76 -23.134 -2.588 -28.105 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -22.236 -2.430 -30.404 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.629 -1.117 -29.366 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.581 -2.502 -29.753 1.00 0.00 H new ATOM 1155 N GLY A 77 -21.010 -5.008 -28.883 1.00 0.00 N ATOM 1156 CA GLY A 77 -20.942 -6.433 -29.151 1.00 0.00 C ATOM 1157 C GLY A 77 -21.696 -7.252 -28.123 1.00 0.00 C ATOM 1158 O GLY A 77 -22.452 -8.158 -28.474 1.00 0.00 O ATOM 0 H GLY A 77 -20.119 -4.517 -28.949 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -21.351 -6.633 -30.141 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -19.898 -6.747 -29.167 1.00 0.00 H new ATOM 1162 N MET A 78 -21.490 -6.935 -26.849 1.00 0.00 N ATOM 1163 CA MET A 78 -22.157 -7.650 -25.766 1.00 0.00 C ATOM 1164 C MET A 78 -23.669 -7.460 -25.840 1.00 0.00 C ATOM 1165 O MET A 78 -24.418 -8.423 -26.003 1.00 0.00 O ATOM 1166 CB MET A 78 -21.636 -7.168 -24.411 1.00 0.00 C ATOM 1167 CG MET A 78 -22.602 -7.418 -23.265 1.00 0.00 C ATOM 1168 SD MET A 78 -22.120 -6.565 -21.751 1.00 0.00 S ATOM 1169 CE MET A 78 -20.762 -7.596 -21.200 1.00 0.00 C ATOM 0 H MET A 78 -20.867 -6.188 -26.541 1.00 0.00 H new ATOM 0 HA MET A 78 -21.936 -8.712 -25.875 1.00 0.00 H new ATOM 0 HB2 MET A 78 -20.692 -7.668 -24.195 1.00 0.00 H new ATOM 0 HB3 MET A 78 -21.425 -6.100 -24.471 1.00 0.00 H new ATOM 0 HG2 MET A 78 -23.600 -7.093 -23.559 1.00 0.00 H new ATOM 0 HG3 MET A 78 -22.660 -8.489 -23.071 1.00 0.00 H new ATOM 0 HE1 MET A 78 -19.923 -6.966 -20.906 1.00 0.00 H new ATOM 0 HE2 MET A 78 -21.083 -8.195 -20.348 1.00 0.00 H new ATOM 0 HE3 MET A 78 -20.453 -8.255 -22.011 1.00 0.00 H new ATOM 1179 N LYS A 79 -24.111 -6.213 -25.719 1.00 0.00 N ATOM 1180 CA LYS A 79 -25.533 -5.897 -25.772 1.00 0.00 C ATOM 1181 C LYS A 79 -26.217 -6.657 -26.904 1.00 0.00 C ATOM 1182 O LYS A 79 -27.434 -6.846 -26.891 1.00 0.00 O ATOM 1183 CB LYS A 79 -25.734 -4.391 -25.960 1.00 0.00 C ATOM 1184 CG LYS A 79 -25.304 -3.566 -24.760 1.00 0.00 C ATOM 1185 CD LYS A 79 -25.884 -2.162 -24.811 1.00 0.00 C ATOM 1186 CE LYS A 79 -27.233 -2.091 -24.113 1.00 0.00 C ATOM 1187 NZ LYS A 79 -27.103 -2.253 -22.638 1.00 0.00 N ATOM 0 H LYS A 79 -23.504 -5.404 -25.583 1.00 0.00 H new ATOM 0 HA LYS A 79 -25.984 -6.203 -24.828 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -25.172 -4.064 -26.835 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -26.786 -4.196 -26.166 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -25.626 -4.060 -23.843 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -24.216 -3.510 -24.727 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -25.192 -1.464 -24.340 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -25.994 -1.850 -25.850 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -27.706 -1.134 -24.333 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -27.888 -2.868 -24.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -27.943 -1.857 -22.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -27.021 -3.263 -22.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -26.254 -1.752 -22.307 1.00 0.00 H new ATOM 1201 N TYR A 80 -25.428 -7.091 -27.880 1.00 0.00 N ATOM 1202 CA TYR A 80 -25.959 -7.830 -29.020 1.00 0.00 C ATOM 1203 C TYR A 80 -26.012 -9.326 -28.722 1.00 0.00 C ATOM 1204 O TYR A 80 -26.913 -10.030 -29.180 1.00 0.00 O ATOM 1205 CB TYR A 80 -25.103 -7.576 -30.262 1.00 0.00 C ATOM 1206 CG TYR A 80 -25.708 -8.122 -31.536 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -25.523 -9.450 -31.903 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -26.465 -7.311 -32.372 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -26.073 -9.952 -33.066 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -27.020 -7.806 -33.536 1.00 0.00 C ATOM 1211 CZ TYR A 80 -26.821 -9.127 -33.879 1.00 0.00 C ATOM 1212 OH TYR A 80 -27.371 -9.624 -35.038 1.00 0.00 O ATOM 0 H TYR A 80 -24.419 -6.944 -27.905 1.00 0.00 H new ATOM 0 HA TYR A 80 -26.974 -7.479 -29.208 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.949 -6.503 -30.374 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -24.121 -8.025 -30.114 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -24.939 -10.100 -31.268 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.622 -6.276 -32.107 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -25.918 -10.986 -33.337 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -27.607 -7.162 -34.174 1.00 0.00 H new ATOM 0 HH TYR A 80 -27.869 -8.914 -35.495 1.00 0.00 H new ATOM 1222 N HIS A 81 -25.041 -9.804 -27.952 1.00 0.00 N ATOM 1223 CA HIS A 81 -24.977 -11.216 -27.591 1.00 0.00 C ATOM 1224 C HIS A 81 -26.217 -11.633 -26.806 1.00 0.00 C ATOM 1225 O HIS A 81 -26.575 -12.810 -26.771 1.00 0.00 O ATOM 1226 CB HIS A 81 -23.720 -11.497 -26.767 1.00 0.00 C ATOM 1227 CG HIS A 81 -23.938 -11.399 -25.288 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -23.142 -10.638 -24.458 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -24.872 -11.970 -24.492 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -23.575 -10.747 -23.215 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -24.624 -11.550 -23.208 1.00 0.00 N ATOM 0 H HIS A 81 -24.288 -9.235 -27.566 1.00 0.00 H new ATOM 0 HA HIS A 81 -24.938 -11.799 -28.511 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -23.354 -12.496 -27.007 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -22.940 -10.794 -27.058 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -25.665 -12.632 -24.808 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -23.145 -10.262 -22.351 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -25.162 -11.815 -22.383 1.00 0.00 H new ATOM 1239 N VAL A 82 -26.869 -10.660 -26.178 1.00 0.00 N ATOM 1240 CA VAL A 82 -28.069 -10.926 -25.394 1.00 0.00 C ATOM 1241 C VAL A 82 -29.297 -11.043 -26.291 1.00 0.00 C ATOM 1242 O VAL A 82 -30.050 -12.012 -26.206 1.00 0.00 O ATOM 1243 CB VAL A 82 -28.314 -9.821 -24.349 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -29.669 -10.007 -23.683 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -27.199 -9.810 -23.315 1.00 0.00 C ATOM 0 H VAL A 82 -26.586 -9.680 -26.197 1.00 0.00 H new ATOM 0 HA VAL A 82 -27.907 -11.873 -24.879 1.00 0.00 H new ATOM 0 HB VAL A 82 -28.316 -8.857 -24.858 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -29.825 -9.217 -22.948 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -30.455 -9.961 -24.437 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.700 -10.977 -23.186 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -27.388 -9.023 -22.584 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.163 -10.775 -22.809 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.246 -9.624 -23.810 1.00 0.00 H new ATOM 1255 N MET A 83 -29.491 -10.048 -27.151 1.00 0.00 N ATOM 1256 CA MET A 83 -30.626 -10.040 -28.066 1.00 0.00 C ATOM 1257 C MET A 83 -30.551 -11.214 -29.037 1.00 0.00 C ATOM 1258 O MET A 83 -31.540 -11.566 -29.678 1.00 0.00 O ATOM 1259 CB MET A 83 -30.673 -8.723 -28.843 1.00 0.00 C ATOM 1260 CG MET A 83 -31.286 -7.575 -28.057 1.00 0.00 C ATOM 1261 SD MET A 83 -31.524 -6.096 -29.060 1.00 0.00 S ATOM 1262 CE MET A 83 -29.841 -5.494 -29.180 1.00 0.00 C ATOM 0 H MET A 83 -28.877 -9.238 -27.233 1.00 0.00 H new ATOM 0 HA MET A 83 -31.537 -10.138 -27.475 1.00 0.00 H new ATOM 0 HB2 MET A 83 -29.660 -8.449 -29.140 1.00 0.00 H new ATOM 0 HB3 MET A 83 -31.245 -8.871 -29.759 1.00 0.00 H new ATOM 0 HG2 MET A 83 -32.246 -7.891 -27.649 1.00 0.00 H new ATOM 0 HG3 MET A 83 -30.643 -7.335 -27.210 1.00 0.00 H new ATOM 0 HE1 MET A 83 -29.777 -4.501 -28.734 1.00 0.00 H new ATOM 0 HE2 MET A 83 -29.173 -6.173 -28.651 1.00 0.00 H new ATOM 0 HE3 MET A 83 -29.548 -5.440 -30.228 1.00 0.00 H new ATOM 1272 N ALA A 84 -29.370 -11.816 -29.140 1.00 0.00 N ATOM 1273 CA ALA A 84 -29.167 -12.952 -30.031 1.00 0.00 C ATOM 1274 C ALA A 84 -29.379 -14.271 -29.296 1.00 0.00 C ATOM 1275 O ALA A 84 -30.250 -15.061 -29.659 1.00 0.00 O ATOM 1276 CB ALA A 84 -27.773 -12.902 -30.638 1.00 0.00 C ATOM 0 H ALA A 84 -28.540 -11.536 -28.618 1.00 0.00 H new ATOM 0 HA ALA A 84 -29.903 -12.891 -30.832 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -27.634 -13.756 -31.301 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -27.656 -11.979 -31.206 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -27.028 -12.936 -29.843 1.00 0.00 H new ATOM 1282 N ASN A 85 -28.578 -14.503 -28.262 1.00 0.00 N ATOM 1283 CA ASN A 85 -28.678 -15.729 -27.478 1.00 0.00 C ATOM 1284 C ASN A 85 -29.907 -15.697 -26.574 1.00 0.00 C ATOM 1285 O ASN A 85 -30.718 -16.623 -26.579 1.00 0.00 O ATOM 1286 CB ASN A 85 -27.416 -15.924 -26.634 1.00 0.00 C ATOM 1287 CG ASN A 85 -26.175 -16.110 -27.486 1.00 0.00 C ATOM 1288 OD1 ASN A 85 -26.066 -17.076 -28.241 1.00 0.00 O ATOM 1289 ND2 ASN A 85 -25.231 -15.184 -27.366 1.00 0.00 N ATOM 0 H ASN A 85 -27.853 -13.859 -27.947 1.00 0.00 H new ATOM 0 HA ASN A 85 -28.778 -16.566 -28.169 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -27.280 -15.061 -25.983 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -27.544 -16.793 -25.989 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -24.373 -15.257 -27.912 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -25.364 -14.400 -26.727 1.00 0.00 H new ATOM 1296 N HIS A 86 -30.038 -14.625 -25.800 1.00 0.00 N ATOM 1297 CA HIS A 86 -31.169 -14.471 -24.892 1.00 0.00 C ATOM 1298 C HIS A 86 -32.331 -13.768 -25.585 1.00 0.00 C ATOM 1299 O HIS A 86 -32.922 -12.838 -25.038 1.00 0.00 O ATOM 1300 CB HIS A 86 -30.749 -13.685 -23.649 1.00 0.00 C ATOM 1301 CG HIS A 86 -29.427 -14.110 -23.090 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -29.125 -15.420 -22.783 1.00 0.00 N ATOM 1303 CD2 HIS A 86 -28.323 -13.389 -22.783 1.00 0.00 C ATOM 1304 CE1 HIS A 86 -27.893 -15.487 -22.311 1.00 0.00 C ATOM 1305 NE2 HIS A 86 -27.384 -14.268 -22.300 1.00 0.00 N ATOM 0 H HIS A 86 -29.375 -13.850 -25.783 1.00 0.00 H new ATOM 0 HA HIS A 86 -31.498 -15.465 -24.590 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -30.705 -12.625 -23.897 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -31.513 -13.801 -22.881 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -28.203 -12.322 -22.897 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -27.388 -16.386 -21.989 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -26.446 -14.020 -21.984 1.00 0.00 H new