USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=20 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 110:sc= -0.114! USER MOD Set 1.2: A 68 CYS SG : rot -39:sc= -0.325 USER MOD Set 1.3: A 81 HIS : no HD1:sc= -10.9! C(o=-12!,f=-12!) USER MOD Set 1.4: A 86 HIS : no HD1:sc= -0.735 X(o=-12,f=-12) USER MOD Set 2.1: A 64 THR OG1 : rot 24:sc= 0.0988 USER MOD Set 2.2: A 71 GLN : amide:sc= 1.15 K(o=1.2,f=0.35) USER MOD Set 3.1: A 34 SER OG : rot 1:sc= 0.354 USER MOD Set 3.2: A 46 LYS NZ :NH3+ -164:sc=-0.00185 (180deg=-0.145) USER MOD Set 4.1: A 37 CYS SG : rot 112:sc= 1.49 USER MOD Set 4.2: A 40 CYS SG : rot -71:sc= 0.956 USER MOD Set 4.3: A 54 HIS :FLIP no HD1:sc= 0.319 F(o=-0.53,f=2.8) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.32) 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 36 SER OG : rot 180:sc= -0.0931 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -169:sc= -2.31 (180deg=-2.73) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 70 LYS NZ :NH3+ -156:sc= -0.105 (180deg=-0.85) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -163:sc= -0.0169 (180deg=-0.307) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 142:sc= -1.89 (180deg=-2.19) USER MOD Single : A 85 ASN :FLIP amide:sc= -1.12 F(o=-1.9!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 262 N SER A 20 -4.143 9.280 -0.206 1.00 0.00 N ATOM 263 CA SER A 20 -4.499 9.334 -1.619 1.00 0.00 C ATOM 264 C SER A 20 -3.834 8.197 -2.390 1.00 0.00 C ATOM 265 O SER A 20 -2.922 7.539 -1.886 1.00 0.00 O ATOM 266 CB SER A 20 -4.089 10.680 -2.219 1.00 0.00 C ATOM 267 OG SER A 20 -5.040 11.685 -1.913 1.00 0.00 O ATOM 0 HA SER A 20 -5.580 9.222 -1.701 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.111 10.971 -1.834 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.991 10.585 -3.300 1.00 0.00 H new ATOM 0 HG SER A 20 -4.754 12.536 -2.306 1.00 0.00 H new ATOM 273 N LEU A 21 -4.297 7.971 -3.614 1.00 0.00 N ATOM 274 CA LEU A 21 -3.749 6.914 -4.457 1.00 0.00 C ATOM 275 C LEU A 21 -2.242 7.076 -4.623 1.00 0.00 C ATOM 276 O LEU A 21 -1.478 6.142 -4.385 1.00 0.00 O ATOM 277 CB LEU A 21 -4.429 6.923 -5.827 1.00 0.00 C ATOM 278 CG LEU A 21 -5.728 6.124 -5.938 1.00 0.00 C ATOM 279 CD1 LEU A 21 -6.399 6.379 -7.278 1.00 0.00 C ATOM 280 CD2 LEU A 21 -5.458 4.638 -5.749 1.00 0.00 C ATOM 0 H LEU A 21 -5.051 8.506 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.941 5.958 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.638 7.957 -6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.724 6.536 -6.563 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.403 6.454 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.322 5.802 -7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.628 7.440 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.729 6.078 -8.083 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.394 4.085 -5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.764 4.294 -6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.022 4.470 -4.764 1.00 0.00 H new ATOM 292 N GLU A 22 -1.822 8.270 -5.030 1.00 0.00 N ATOM 293 CA GLU A 22 -0.405 8.555 -5.226 1.00 0.00 C ATOM 294 C GLU A 22 0.434 7.927 -4.118 1.00 0.00 C ATOM 295 O GLU A 22 1.471 7.318 -4.380 1.00 0.00 O ATOM 296 CB GLU A 22 -0.167 10.066 -5.269 1.00 0.00 C ATOM 297 CG GLU A 22 -0.530 10.702 -6.600 1.00 0.00 C ATOM 298 CD GLU A 22 -1.974 11.160 -6.653 1.00 0.00 C ATOM 299 OE1 GLU A 22 -2.278 12.232 -6.089 1.00 0.00 O ATOM 300 OE2 GLU A 22 -2.800 10.446 -7.259 1.00 0.00 O ATOM 0 H GLU A 22 -2.442 9.055 -5.230 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.101 8.120 -6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.750 10.540 -4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.883 10.266 -5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.125 11.555 -6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.350 9.986 -7.402 1.00 0.00 H new ATOM 307 N GLU A 23 -0.022 8.081 -2.879 1.00 0.00 N ATOM 308 CA GLU A 23 0.688 7.531 -1.730 1.00 0.00 C ATOM 309 C GLU A 23 0.758 6.009 -1.812 1.00 0.00 C ATOM 310 O GLU A 23 1.828 5.418 -1.664 1.00 0.00 O ATOM 311 CB GLU A 23 0.001 7.951 -0.429 1.00 0.00 C ATOM 312 CG GLU A 23 0.664 7.389 0.818 1.00 0.00 C ATOM 313 CD GLU A 23 1.898 8.170 1.225 1.00 0.00 C ATOM 314 OE1 GLU A 23 1.745 9.211 1.899 1.00 0.00 O ATOM 315 OE2 GLU A 23 3.016 7.742 0.871 1.00 0.00 O ATOM 0 H GLU A 23 -0.879 8.582 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 23 1.704 7.926 -1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.007 9.039 -0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.039 7.626 -0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.052 7.395 1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.939 6.349 0.642 1.00 0.00 H new ATOM 322 N GLN A 24 -0.389 5.381 -2.048 1.00 0.00 N ATOM 323 CA GLN A 24 -0.458 3.928 -2.149 1.00 0.00 C ATOM 324 C GLN A 24 0.517 3.408 -3.200 1.00 0.00 C ATOM 325 O GLN A 24 1.395 2.599 -2.900 1.00 0.00 O ATOM 326 CB GLN A 24 -1.881 3.486 -2.494 1.00 0.00 C ATOM 327 CG GLN A 24 -2.856 3.617 -1.335 1.00 0.00 C ATOM 328 CD GLN A 24 -4.235 3.082 -1.669 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.371 2.017 -2.271 1.00 0.00 O ATOM 330 NE2 GLN A 24 -5.267 3.821 -1.279 1.00 0.00 N ATOM 0 H GLN A 24 -1.283 5.855 -2.173 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.179 3.509 -1.182 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.244 4.080 -3.332 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.860 2.448 -2.825 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.462 3.081 -0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.937 4.666 -1.050 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.108 4.698 -0.782 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.219 3.512 -1.476 1.00 0.00 H new ATOM 339 N TRP A 25 0.357 3.878 -4.432 1.00 0.00 N ATOM 340 CA TRP A 25 1.223 3.460 -5.528 1.00 0.00 C ATOM 341 C TRP A 25 2.691 3.533 -5.120 1.00 0.00 C ATOM 342 O TRP A 25 3.408 2.534 -5.167 1.00 0.00 O ATOM 343 CB TRP A 25 0.979 4.333 -6.760 1.00 0.00 C ATOM 344 CG TRP A 25 -0.411 4.213 -7.307 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.218 3.113 -7.259 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.156 5.231 -7.985 1.00 0.00 C ATOM 347 NE1 TRP A 25 -2.420 3.385 -7.867 1.00 0.00 N ATOM 348 CE2 TRP A 25 -2.407 4.678 -8.319 1.00 0.00 C ATOM 349 CE3 TRP A 25 -0.888 6.556 -8.339 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -3.386 5.405 -8.992 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -1.860 7.275 -9.008 1.00 0.00 C ATOM 352 CH2 TRP A 25 -3.097 6.699 -9.328 1.00 0.00 C ATOM 0 H TRP A 25 -0.364 4.549 -4.697 1.00 0.00 H new ATOM 0 HA TRP A 25 0.984 2.425 -5.772 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.172 5.374 -6.502 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.693 4.060 -7.537 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -0.951 2.168 -6.809 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.196 2.730 -7.966 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.061 7.010 -8.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.340 4.963 -9.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -1.663 8.299 -9.289 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -3.836 7.288 -9.850 1.00 0.00 H new ATOM 363 N TYR A 26 3.130 4.721 -4.721 1.00 0.00 N ATOM 364 CA TYR A 26 4.514 4.925 -4.307 1.00 0.00 C ATOM 365 C TYR A 26 5.038 3.713 -3.543 1.00 0.00 C ATOM 366 O TYR A 26 6.104 3.181 -3.854 1.00 0.00 O ATOM 367 CB TYR A 26 4.629 6.178 -3.438 1.00 0.00 C ATOM 368 CG TYR A 26 6.038 6.462 -2.968 1.00 0.00 C ATOM 369 CD1 TYR A 26 7.029 6.836 -3.868 1.00 0.00 C ATOM 370 CD2 TYR A 26 6.379 6.356 -1.626 1.00 0.00 C ATOM 371 CE1 TYR A 26 8.317 7.096 -3.444 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.665 6.615 -1.192 1.00 0.00 C ATOM 373 CZ TYR A 26 8.630 6.984 -2.105 1.00 0.00 C ATOM 374 OH TYR A 26 9.913 7.242 -1.678 1.00 0.00 O ATOM 0 H TYR A 26 2.548 5.558 -4.675 1.00 0.00 H new ATOM 0 HA TYR A 26 5.119 5.056 -5.204 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.263 7.036 -4.002 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.980 6.068 -2.569 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.787 6.925 -4.917 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.626 6.066 -0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.075 7.385 -4.157 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.913 6.529 -0.144 1.00 0.00 H new ATOM 0 HH TYR A 26 9.966 7.119 -0.707 1.00 0.00 H new ATOM 384 N LEU A 27 4.280 3.280 -2.541 1.00 0.00 N ATOM 385 CA LEU A 27 4.666 2.130 -1.731 1.00 0.00 C ATOM 386 C LEU A 27 4.921 0.908 -2.608 1.00 0.00 C ATOM 387 O LEU A 27 5.977 0.283 -2.524 1.00 0.00 O ATOM 388 CB LEU A 27 3.577 1.816 -0.704 1.00 0.00 C ATOM 389 CG LEU A 27 3.265 2.924 0.303 1.00 0.00 C ATOM 390 CD1 LEU A 27 1.909 2.691 0.951 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.356 3.004 1.361 1.00 0.00 C ATOM 0 H LEU A 27 3.395 3.708 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 27 5.589 2.379 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.660 1.571 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.872 0.924 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 27 3.231 3.874 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.705 3.489 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.135 2.683 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.914 1.733 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.118 3.797 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.421 2.053 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.312 3.219 0.883 1.00 0.00 H new ATOM 403 N GLU A 28 3.947 0.576 -3.449 1.00 0.00 N ATOM 404 CA GLU A 28 4.067 -0.571 -4.342 1.00 0.00 C ATOM 405 C GLU A 28 5.410 -0.557 -5.067 1.00 0.00 C ATOM 406 O GLU A 28 5.885 -1.592 -5.537 1.00 0.00 O ATOM 407 CB GLU A 28 2.926 -0.575 -5.361 1.00 0.00 C ATOM 408 CG GLU A 28 1.700 -1.345 -4.899 1.00 0.00 C ATOM 409 CD GLU A 28 0.416 -0.818 -5.508 1.00 0.00 C ATOM 410 OE1 GLU A 28 0.025 0.320 -5.174 1.00 0.00 O ATOM 411 OE2 GLU A 28 -0.199 -1.543 -6.317 1.00 0.00 O ATOM 0 H GLU A 28 3.067 1.084 -3.531 1.00 0.00 H new ATOM 0 HA GLU A 28 4.008 -1.476 -3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.639 0.454 -5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.286 -1.007 -6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.817 -2.397 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.631 -1.292 -3.812 1.00 0.00 H new ATOM 418 N ILE A 29 6.017 0.622 -5.154 1.00 0.00 N ATOM 419 CA ILE A 29 7.304 0.771 -5.821 1.00 0.00 C ATOM 420 C ILE A 29 8.449 0.765 -4.813 1.00 0.00 C ATOM 421 O ILE A 29 9.533 0.252 -5.092 1.00 0.00 O ATOM 422 CB ILE A 29 7.366 2.072 -6.642 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.057 2.280 -7.408 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.547 2.038 -7.601 1.00 0.00 C ATOM 425 CD1 ILE A 29 5.662 3.733 -7.546 1.00 0.00 C ATOM 0 H ILE A 29 5.638 1.488 -4.771 1.00 0.00 H new ATOM 0 HA ILE A 29 7.410 -0.079 -6.495 1.00 0.00 H new ATOM 0 HB ILE A 29 7.503 2.910 -5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.153 1.842 -8.402 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.258 1.741 -6.899 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.577 2.965 -8.174 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.472 1.931 -7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.439 1.194 -8.282 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.726 3.805 -8.099 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.533 4.171 -6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.442 4.273 -8.082 1.00 0.00 H new ATOM 437 N VAL A 30 8.200 1.337 -3.639 1.00 0.00 N ATOM 438 CA VAL A 30 9.208 1.395 -2.588 1.00 0.00 C ATOM 439 C VAL A 30 9.324 0.058 -1.863 1.00 0.00 C ATOM 440 O VAL A 30 10.264 -0.166 -1.101 1.00 0.00 O ATOM 441 CB VAL A 30 8.886 2.497 -1.561 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.280 3.709 -2.252 1.00 0.00 C ATOM 443 CG2 VAL A 30 7.953 1.964 -0.484 1.00 0.00 C ATOM 0 H VAL A 30 7.308 1.767 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 30 10.157 1.626 -3.072 1.00 0.00 H new ATOM 0 HB VAL A 30 9.815 2.808 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.059 4.477 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.987 4.102 -2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.360 3.417 -2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.736 2.755 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.024 1.625 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.430 1.129 0.030 1.00 0.00 H new ATOM 453 N ASP A 31 8.363 -0.826 -2.107 1.00 0.00 N ATOM 454 CA ASP A 31 8.358 -2.142 -1.479 1.00 0.00 C ATOM 455 C ASP A 31 8.707 -3.228 -2.491 1.00 0.00 C ATOM 456 O ASP A 31 9.619 -4.026 -2.272 1.00 0.00 O ATOM 457 CB ASP A 31 6.990 -2.428 -0.856 1.00 0.00 C ATOM 458 CG ASP A 31 7.091 -3.268 0.401 1.00 0.00 C ATOM 459 OD1 ASP A 31 7.463 -4.455 0.294 1.00 0.00 O ATOM 460 OD2 ASP A 31 6.796 -2.738 1.494 1.00 0.00 O ATOM 0 H ASP A 31 7.578 -0.655 -2.735 1.00 0.00 H new ATOM 0 HA ASP A 31 9.114 -2.146 -0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.497 -1.485 -0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.363 -2.943 -1.584 1.00 0.00 H new ATOM 465 N LYS A 32 7.975 -3.255 -3.600 1.00 0.00 N ATOM 466 CA LYS A 32 8.207 -4.242 -4.647 1.00 0.00 C ATOM 467 C LYS A 32 9.227 -3.733 -5.659 1.00 0.00 C ATOM 468 O LYS A 32 10.165 -4.443 -6.021 1.00 0.00 O ATOM 469 CB LYS A 32 6.894 -4.581 -5.356 1.00 0.00 C ATOM 470 CG LYS A 32 5.694 -4.628 -4.426 1.00 0.00 C ATOM 471 CD LYS A 32 5.584 -5.971 -3.724 1.00 0.00 C ATOM 472 CE LYS A 32 6.344 -5.976 -2.407 1.00 0.00 C ATOM 473 NZ LYS A 32 6.362 -7.328 -1.782 1.00 0.00 N ATOM 0 H LYS A 32 7.215 -2.603 -3.796 1.00 0.00 H new ATOM 0 HA LYS A 32 8.604 -5.143 -4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.710 -3.841 -6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.997 -5.547 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.777 -3.834 -3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.784 -4.438 -4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.535 -6.202 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.974 -6.755 -4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.367 -5.641 -2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.885 -5.265 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.889 -7.289 -0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.387 -7.638 -1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.823 -8.002 -2.426 1.00 0.00 H new ATOM 487 N GLY A 33 9.039 -2.497 -6.112 1.00 0.00 N ATOM 488 CA GLY A 33 9.952 -1.914 -7.078 1.00 0.00 C ATOM 489 C GLY A 33 9.228 -1.237 -8.225 1.00 0.00 C ATOM 490 O GLY A 33 9.815 -0.435 -8.951 1.00 0.00 O ATOM 0 H GLY A 33 8.271 -1.889 -5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.591 -1.187 -6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.604 -2.693 -7.473 1.00 0.00 H new ATOM 494 N SER A 34 7.950 -1.560 -8.389 1.00 0.00 N ATOM 495 CA SER A 34 7.146 -0.982 -9.459 1.00 0.00 C ATOM 496 C SER A 34 5.657 -1.126 -9.160 1.00 0.00 C ATOM 497 O SER A 34 5.224 -2.114 -8.566 1.00 0.00 O ATOM 498 CB SER A 34 7.477 -1.653 -10.794 1.00 0.00 C ATOM 499 OG SER A 34 8.763 -1.273 -11.251 1.00 0.00 O ATOM 0 H SER A 34 7.448 -2.219 -7.794 1.00 0.00 H new ATOM 0 HA SER A 34 7.384 0.080 -9.525 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.433 -2.736 -10.681 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.728 -1.380 -11.537 1.00 0.00 H new ATOM 0 HG SER A 34 9.175 -0.667 -10.601 1.00 0.00 H new ATOM 505 N VAL A 35 4.877 -0.133 -9.575 1.00 0.00 N ATOM 506 CA VAL A 35 3.436 -0.149 -9.353 1.00 0.00 C ATOM 507 C VAL A 35 2.703 -0.759 -10.542 1.00 0.00 C ATOM 508 O VAL A 35 3.139 -0.631 -11.686 1.00 0.00 O ATOM 509 CB VAL A 35 2.892 1.270 -9.102 1.00 0.00 C ATOM 510 CG1 VAL A 35 3.109 2.149 -10.324 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.418 1.217 -8.728 1.00 0.00 C ATOM 0 H VAL A 35 5.219 0.693 -10.067 1.00 0.00 H new ATOM 0 HA VAL A 35 3.259 -0.761 -8.468 1.00 0.00 H new ATOM 0 HB VAL A 35 3.440 1.708 -8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.718 3.148 -10.128 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.175 2.213 -10.542 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.589 1.718 -11.179 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.050 2.228 -8.554 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.853 0.760 -9.540 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.294 0.625 -7.821 1.00 0.00 H new ATOM 521 N SER A 36 1.586 -1.424 -10.264 1.00 0.00 N ATOM 522 CA SER A 36 0.794 -2.058 -11.310 1.00 0.00 C ATOM 523 C SER A 36 -0.452 -1.235 -11.623 1.00 0.00 C ATOM 524 O SER A 36 -0.914 -0.448 -10.795 1.00 0.00 O ATOM 525 CB SER A 36 0.391 -3.473 -10.888 1.00 0.00 C ATOM 526 OG SER A 36 -0.632 -3.983 -11.726 1.00 0.00 O ATOM 0 H SER A 36 1.210 -1.537 -9.323 1.00 0.00 H new ATOM 0 HA SER A 36 1.406 -2.115 -12.210 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.260 -4.130 -10.929 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.047 -3.463 -9.854 1.00 0.00 H new ATOM 0 HG SER A 36 -0.871 -4.889 -11.437 1.00 0.00 H new ATOM 532 N CYS A 37 -0.991 -1.421 -12.823 1.00 0.00 N ATOM 533 CA CYS A 37 -2.183 -0.696 -13.247 1.00 0.00 C ATOM 534 C CYS A 37 -3.387 -1.082 -12.392 1.00 0.00 C ATOM 535 O CYS A 37 -3.880 -2.209 -12.443 1.00 0.00 O ATOM 536 CB CYS A 37 -2.479 -0.978 -14.721 1.00 0.00 C ATOM 537 SG CYS A 37 -3.775 0.084 -15.436 1.00 0.00 S ATOM 0 H CYS A 37 -0.621 -2.068 -13.519 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.995 0.370 -13.118 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.562 -0.850 -15.296 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.779 -2.021 -14.827 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.245 0.884 -16.313 1.00 0.00 H new ATOM 542 N PRO A 38 -3.873 -0.124 -11.588 1.00 0.00 N ATOM 543 CA PRO A 38 -5.025 -0.339 -10.708 1.00 0.00 C ATOM 544 C PRO A 38 -6.329 -0.484 -11.485 1.00 0.00 C ATOM 545 O PRO A 38 -7.392 -0.698 -10.901 1.00 0.00 O ATOM 546 CB PRO A 38 -5.054 0.927 -9.847 1.00 0.00 C ATOM 547 CG PRO A 38 -4.382 1.965 -10.677 1.00 0.00 C ATOM 548 CD PRO A 38 -3.334 1.242 -11.477 1.00 0.00 C ATOM 0 HA PRO A 38 -4.933 -1.261 -10.133 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.076 1.216 -9.603 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.531 0.776 -8.903 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.097 2.464 -11.331 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.932 2.735 -10.050 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.190 1.698 -12.456 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.367 1.253 -10.975 1.00 0.00 H new ATOM 556 N THR A 39 -6.241 -0.367 -12.806 1.00 0.00 N ATOM 557 CA THR A 39 -7.414 -0.484 -13.663 1.00 0.00 C ATOM 558 C THR A 39 -7.484 -1.861 -14.314 1.00 0.00 C ATOM 559 O THR A 39 -8.458 -2.594 -14.137 1.00 0.00 O ATOM 560 CB THR A 39 -7.415 0.592 -14.766 1.00 0.00 C ATOM 561 OG1 THR A 39 -7.118 1.873 -14.199 1.00 0.00 O ATOM 562 CG2 THR A 39 -8.762 0.643 -15.471 1.00 0.00 C ATOM 0 H THR A 39 -5.369 -0.191 -13.306 1.00 0.00 H new ATOM 0 HA THR A 39 -8.286 -0.341 -13.025 1.00 0.00 H new ATOM 0 HB THR A 39 -6.650 0.333 -15.498 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.119 2.552 -14.906 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.739 1.410 -16.245 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.972 -0.325 -15.925 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.542 0.881 -14.748 1.00 0.00 H new ATOM 570 N CYS A 40 -6.446 -2.209 -15.066 1.00 0.00 N ATOM 571 CA CYS A 40 -6.388 -3.499 -15.743 1.00 0.00 C ATOM 572 C CYS A 40 -5.543 -4.492 -14.950 1.00 0.00 C ATOM 573 O CYS A 40 -5.752 -5.702 -15.031 1.00 0.00 O ATOM 574 CB CYS A 40 -5.815 -3.334 -17.151 1.00 0.00 C ATOM 575 SG CYS A 40 -4.025 -2.995 -17.190 1.00 0.00 S ATOM 0 H CYS A 40 -5.632 -1.615 -15.222 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.403 -3.890 -15.815 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.015 -4.241 -17.722 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.339 -2.520 -17.652 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.801 -1.793 -16.747 1.00 0.00 H new ATOM 580 N GLN A 41 -4.590 -3.971 -14.185 1.00 0.00 N ATOM 581 CA GLN A 41 -3.713 -4.812 -13.378 1.00 0.00 C ATOM 582 C GLN A 41 -2.990 -5.835 -14.247 1.00 0.00 C ATOM 583 O GLN A 41 -2.845 -6.996 -13.865 1.00 0.00 O ATOM 584 CB GLN A 41 -4.516 -5.526 -12.290 1.00 0.00 C ATOM 585 CG GLN A 41 -5.179 -4.579 -11.303 1.00 0.00 C ATOM 586 CD GLN A 41 -5.768 -5.300 -10.107 1.00 0.00 C ATOM 587 OE1 GLN A 41 -6.225 -6.438 -10.217 1.00 0.00 O ATOM 588 NE2 GLN A 41 -5.759 -4.641 -8.954 1.00 0.00 N ATOM 0 H GLN A 41 -4.405 -2.971 -14.107 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.968 -4.171 -12.908 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.282 -6.142 -12.761 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.855 -6.200 -11.746 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.447 -3.849 -10.958 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.967 -4.024 -11.812 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.370 -3.699 -8.908 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.141 -5.077 -8.115 1.00 0.00 H new ATOM 597 N ALA A 42 -2.539 -5.397 -15.418 1.00 0.00 N ATOM 598 CA ALA A 42 -1.830 -6.275 -16.341 1.00 0.00 C ATOM 599 C ALA A 42 -0.384 -5.827 -16.522 1.00 0.00 C ATOM 600 O ALA A 42 0.535 -6.646 -16.524 1.00 0.00 O ATOM 601 CB ALA A 42 -2.544 -6.317 -17.684 1.00 0.00 C ATOM 0 H ALA A 42 -2.652 -4.439 -15.750 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.822 -7.278 -15.915 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.003 -6.976 -18.363 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.558 -6.692 -17.545 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.583 -5.313 -18.107 1.00 0.00 H new ATOM 607 N VAL A 43 -0.188 -4.521 -16.676 1.00 0.00 N ATOM 608 CA VAL A 43 1.147 -3.964 -16.858 1.00 0.00 C ATOM 609 C VAL A 43 1.360 -2.746 -15.967 1.00 0.00 C ATOM 610 O VAL A 43 0.513 -1.856 -15.900 1.00 0.00 O ATOM 611 CB VAL A 43 1.393 -3.563 -18.324 1.00 0.00 C ATOM 612 CG1 VAL A 43 1.428 -4.795 -19.216 1.00 0.00 C ATOM 613 CG2 VAL A 43 0.327 -2.585 -18.795 1.00 0.00 C ATOM 0 H VAL A 43 -0.937 -3.829 -16.678 1.00 0.00 H new ATOM 0 HA VAL A 43 1.856 -4.744 -16.579 1.00 0.00 H new ATOM 0 HB VAL A 43 2.362 -3.068 -18.389 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.603 -4.492 -20.248 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.231 -5.457 -18.891 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.475 -5.320 -19.148 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.517 -2.312 -19.833 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.655 -3.051 -18.716 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.355 -1.690 -18.174 1.00 0.00 H new ATOM 623 N GLY A 44 2.500 -2.712 -15.282 1.00 0.00 N ATOM 624 CA GLY A 44 2.805 -1.597 -14.404 1.00 0.00 C ATOM 625 C GLY A 44 3.993 -0.789 -14.885 1.00 0.00 C ATOM 626 O GLY A 44 4.567 -1.080 -15.935 1.00 0.00 O ATOM 0 H GLY A 44 3.217 -3.436 -15.320 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.933 -0.947 -14.331 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.007 -1.973 -13.401 1.00 0.00 H new ATOM 630 N ARG A 45 4.364 0.230 -14.116 1.00 0.00 N ATOM 631 CA ARG A 45 5.490 1.085 -14.471 1.00 0.00 C ATOM 632 C ARG A 45 6.487 1.178 -13.319 1.00 0.00 C ATOM 633 O ARG A 45 6.174 0.822 -12.183 1.00 0.00 O ATOM 634 CB ARG A 45 4.998 2.484 -14.847 1.00 0.00 C ATOM 635 CG ARG A 45 5.838 3.158 -15.920 1.00 0.00 C ATOM 636 CD ARG A 45 5.652 2.490 -17.273 1.00 0.00 C ATOM 637 NE ARG A 45 4.550 3.080 -18.028 1.00 0.00 N ATOM 638 CZ ARG A 45 3.873 2.430 -18.969 1.00 0.00 C ATOM 639 NH1 ARG A 45 4.183 1.177 -19.267 1.00 0.00 N ATOM 640 NH2 ARG A 45 2.882 3.035 -19.612 1.00 0.00 N ATOM 0 H ARG A 45 3.901 0.483 -13.243 1.00 0.00 H new ATOM 0 HA ARG A 45 5.993 0.641 -15.330 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.967 2.416 -15.194 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.993 3.110 -13.955 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.563 4.210 -15.992 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.890 3.122 -15.637 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.573 2.576 -17.849 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.464 1.426 -17.129 1.00 0.00 H new ATOM 0 HE ARG A 45 4.285 4.043 -17.822 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.943 0.709 -18.774 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.662 0.681 -19.990 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.640 3.999 -19.384 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.363 2.536 -20.334 1.00 0.00 H new ATOM 654 N LYS A 46 7.688 1.658 -13.621 1.00 0.00 N ATOM 655 CA LYS A 46 8.732 1.798 -12.612 1.00 0.00 C ATOM 656 C LYS A 46 8.389 2.910 -11.626 1.00 0.00 C ATOM 657 O LYS A 46 8.844 2.903 -10.482 1.00 0.00 O ATOM 658 CB LYS A 46 10.078 2.091 -13.278 1.00 0.00 C ATOM 659 CG LYS A 46 10.868 0.841 -13.627 1.00 0.00 C ATOM 660 CD LYS A 46 10.558 0.360 -15.034 1.00 0.00 C ATOM 661 CE LYS A 46 9.402 -0.629 -15.044 1.00 0.00 C ATOM 662 NZ LYS A 46 9.798 -1.950 -14.484 1.00 0.00 N ATOM 0 H LYS A 46 7.963 1.957 -14.557 1.00 0.00 H new ATOM 0 HA LYS A 46 8.801 0.858 -12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.906 2.668 -14.187 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.675 2.714 -12.613 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.935 1.047 -13.539 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.636 0.051 -12.912 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.313 1.214 -15.666 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.444 -0.110 -15.462 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.572 -0.223 -14.466 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.045 -0.760 -16.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.091 -2.665 -14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.727 -2.224 -14.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.853 -1.885 -13.447 1.00 0.00 H new ATOM 676 N THR A 47 7.581 3.866 -12.075 1.00 0.00 N ATOM 677 CA THR A 47 7.177 4.984 -11.233 1.00 0.00 C ATOM 678 C THR A 47 5.712 5.341 -11.458 1.00 0.00 C ATOM 679 O THR A 47 5.069 4.817 -12.369 1.00 0.00 O ATOM 680 CB THR A 47 8.044 6.229 -11.498 1.00 0.00 C ATOM 681 OG1 THR A 47 8.495 6.232 -12.857 1.00 0.00 O ATOM 682 CG2 THR A 47 9.241 6.265 -10.560 1.00 0.00 C ATOM 0 H THR A 47 7.194 3.888 -13.018 1.00 0.00 H new ATOM 0 HA THR A 47 7.316 4.667 -10.199 1.00 0.00 H new ATOM 0 HB THR A 47 7.434 7.114 -11.317 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.044 7.028 -13.018 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.838 7.153 -10.766 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.893 6.293 -9.527 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.850 5.374 -10.713 1.00 0.00 H new ATOM 690 N ILE A 48 5.191 6.235 -10.625 1.00 0.00 N ATOM 691 CA ILE A 48 3.802 6.663 -10.736 1.00 0.00 C ATOM 692 C ILE A 48 3.585 7.507 -11.988 1.00 0.00 C ATOM 693 O ILE A 48 2.755 7.177 -12.834 1.00 0.00 O ATOM 694 CB ILE A 48 3.362 7.473 -9.502 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.768 6.747 -8.218 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.859 7.708 -9.531 1.00 0.00 C ATOM 697 CD1 ILE A 48 3.490 7.542 -6.961 1.00 0.00 C ATOM 0 H ILE A 48 5.709 6.677 -9.866 1.00 0.00 H new ATOM 0 HA ILE A 48 3.197 5.758 -10.801 1.00 0.00 H new ATOM 0 HB ILE A 48 3.862 8.441 -9.524 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.235 5.798 -8.163 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.832 6.514 -8.263 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.563 8.282 -8.653 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.595 8.262 -10.432 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.341 6.749 -9.529 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.803 6.966 -6.090 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.044 8.480 -6.994 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.423 7.753 -6.892 1.00 0.00 H new ATOM 709 N GLU A 49 4.338 8.597 -12.098 1.00 0.00 N ATOM 710 CA GLU A 49 4.228 9.488 -13.247 1.00 0.00 C ATOM 711 C GLU A 49 3.914 8.701 -14.517 1.00 0.00 C ATOM 712 O GLU A 49 2.877 8.906 -15.146 1.00 0.00 O ATOM 713 CB GLU A 49 5.524 10.280 -13.432 1.00 0.00 C ATOM 714 CG GLU A 49 5.644 11.476 -12.504 1.00 0.00 C ATOM 715 CD GLU A 49 6.728 12.444 -12.936 1.00 0.00 C ATOM 716 OE1 GLU A 49 7.660 12.012 -13.647 1.00 0.00 O ATOM 717 OE2 GLU A 49 6.645 13.633 -12.565 1.00 0.00 O ATOM 0 H GLU A 49 5.030 8.884 -11.406 1.00 0.00 H new ATOM 0 HA GLU A 49 3.410 10.183 -13.059 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.372 9.616 -13.267 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.585 10.624 -14.464 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.689 11.999 -12.467 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.856 11.127 -11.493 1.00 0.00 H new ATOM 724 N GLY A 50 4.819 7.801 -14.888 1.00 0.00 N ATOM 725 CA GLY A 50 4.621 6.998 -16.080 1.00 0.00 C ATOM 726 C GLY A 50 3.299 6.257 -16.068 1.00 0.00 C ATOM 727 O GLY A 50 2.575 6.247 -17.064 1.00 0.00 O ATOM 0 H GLY A 50 5.686 7.614 -14.384 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.665 7.641 -16.959 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.436 6.279 -16.170 1.00 0.00 H new ATOM 731 N LEU A 51 2.983 5.634 -14.938 1.00 0.00 N ATOM 732 CA LEU A 51 1.738 4.885 -14.800 1.00 0.00 C ATOM 733 C LEU A 51 0.533 5.774 -15.084 1.00 0.00 C ATOM 734 O LEU A 51 -0.332 5.428 -15.890 1.00 0.00 O ATOM 735 CB LEU A 51 1.629 4.294 -13.393 1.00 0.00 C ATOM 736 CG LEU A 51 0.229 3.869 -12.950 1.00 0.00 C ATOM 737 CD1 LEU A 51 -0.082 2.463 -13.437 1.00 0.00 C ATOM 738 CD2 LEU A 51 0.101 3.951 -11.436 1.00 0.00 C ATOM 0 H LEU A 51 3.571 5.632 -14.104 1.00 0.00 H new ATOM 0 HA LEU A 51 1.748 4.075 -15.529 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.286 3.426 -13.333 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.006 5.029 -12.682 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.494 4.553 -13.394 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.083 2.178 -13.112 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.033 2.436 -14.526 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.646 1.765 -13.023 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.902 3.645 -11.139 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.834 3.291 -10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.279 4.976 -11.111 1.00 0.00 H new ATOM 750 N LYS A 52 0.482 6.924 -14.420 1.00 0.00 N ATOM 751 CA LYS A 52 -0.615 7.866 -14.603 1.00 0.00 C ATOM 752 C LYS A 52 -1.020 7.952 -16.071 1.00 0.00 C ATOM 753 O LYS A 52 -2.198 7.839 -16.409 1.00 0.00 O ATOM 754 CB LYS A 52 -0.215 9.252 -14.092 1.00 0.00 C ATOM 755 CG LYS A 52 -0.306 9.393 -12.582 1.00 0.00 C ATOM 756 CD LYS A 52 0.084 10.790 -12.128 1.00 0.00 C ATOM 757 CE LYS A 52 -0.198 10.993 -10.647 1.00 0.00 C ATOM 758 NZ LYS A 52 -0.161 12.433 -10.269 1.00 0.00 N ATOM 0 H LYS A 52 1.189 7.226 -13.750 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.469 7.506 -14.029 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.806 9.466 -14.408 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.856 10.001 -14.558 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.323 9.174 -12.256 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.346 8.660 -12.107 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.143 10.955 -12.324 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.467 11.530 -12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.176 10.578 -10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.537 10.444 -10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.358 12.530 -9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.780 12.823 -10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.880 12.953 -10.812 1.00 0.00 H new ATOM 772 N LYS A 53 -0.035 8.150 -16.941 1.00 0.00 N ATOM 773 CA LYS A 53 -0.287 8.248 -18.374 1.00 0.00 C ATOM 774 C LYS A 53 -0.920 6.965 -18.904 1.00 0.00 C ATOM 775 O LYS A 53 -1.754 7.000 -19.809 1.00 0.00 O ATOM 776 CB LYS A 53 1.017 8.533 -19.123 1.00 0.00 C ATOM 777 CG LYS A 53 0.823 8.768 -20.611 1.00 0.00 C ATOM 778 CD LYS A 53 0.391 10.196 -20.899 1.00 0.00 C ATOM 779 CE LYS A 53 1.571 11.156 -20.852 1.00 0.00 C ATOM 780 NZ LYS A 53 1.154 12.560 -21.121 1.00 0.00 N ATOM 0 H LYS A 53 0.946 8.246 -16.678 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.982 9.071 -18.540 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.495 9.409 -18.684 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.699 7.694 -18.982 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.753 8.555 -21.138 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.073 8.076 -20.995 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.079 10.244 -21.881 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.359 10.504 -20.171 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.046 11.100 -19.873 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.317 10.851 -21.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.986 13.183 -21.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.723 12.619 -22.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.461 12.860 -20.405 1.00 0.00 H new ATOM 794 N HIS A 54 -0.519 5.833 -18.333 1.00 0.00 N ATOM 795 CA HIS A 54 -1.049 4.539 -18.748 1.00 0.00 C ATOM 796 C HIS A 54 -2.517 4.402 -18.356 1.00 0.00 C ATOM 797 O HIS A 54 -3.373 4.146 -19.202 1.00 0.00 O ATOM 798 CB HIS A 54 -0.234 3.406 -18.121 1.00 0.00 C ATOM 799 CG HIS A 54 -0.801 2.045 -18.383 1.00 0.00 C ATOM 800 ND1 HIS A 54 -1.514 1.215 -17.586 1.00 0.00 N flip ATOM 801 CD2 HIS A 54 -0.658 1.389 -19.587 1.00 0.00 C flip ATOM 802 CE1 HIS A 54 -1.787 0.084 -18.317 1.00 0.00 C flip ATOM 803 NE2 HIS A 54 -1.260 0.215 -19.521 1.00 0.00 N flip ATOM 0 H HIS A 54 0.170 5.786 -17.583 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.973 4.474 -19.833 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.785 3.446 -18.506 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.175 3.565 -17.044 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -0.135 1.775 -20.450 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.342 -0.773 -17.964 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.309 -0.473 -20.272 1.00 0.00 H new ATOM 811 N MET A 55 -2.799 4.574 -17.069 1.00 0.00 N ATOM 812 CA MET A 55 -4.164 4.471 -16.566 1.00 0.00 C ATOM 813 C MET A 55 -5.063 5.519 -17.213 1.00 0.00 C ATOM 814 O MET A 55 -6.281 5.355 -17.269 1.00 0.00 O ATOM 815 CB MET A 55 -4.184 4.634 -15.045 1.00 0.00 C ATOM 816 CG MET A 55 -3.639 5.971 -14.570 1.00 0.00 C ATOM 817 SD MET A 55 -4.406 6.528 -13.036 1.00 0.00 S ATOM 818 CE MET A 55 -4.352 5.024 -12.065 1.00 0.00 C ATOM 0 H MET A 55 -2.101 4.785 -16.356 1.00 0.00 H new ATOM 0 HA MET A 55 -4.545 3.483 -16.823 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.208 4.521 -14.689 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.600 3.832 -14.594 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.562 5.889 -14.424 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.800 6.720 -15.345 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.960 5.148 -11.169 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.741 4.195 -12.656 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.322 4.813 -11.778 1.00 0.00 H new ATOM 828 N GLU A 56 -4.454 6.596 -17.700 1.00 0.00 N ATOM 829 CA GLU A 56 -5.201 7.671 -18.342 1.00 0.00 C ATOM 830 C GLU A 56 -5.841 7.189 -19.640 1.00 0.00 C ATOM 831 O GLU A 56 -6.986 7.524 -19.942 1.00 0.00 O ATOM 832 CB GLU A 56 -4.282 8.862 -18.625 1.00 0.00 C ATOM 833 CG GLU A 56 -4.100 9.786 -17.433 1.00 0.00 C ATOM 834 CD GLU A 56 -5.167 10.861 -17.359 1.00 0.00 C ATOM 835 OE1 GLU A 56 -6.279 10.560 -16.878 1.00 0.00 O ATOM 836 OE2 GLU A 56 -4.890 12.003 -17.782 1.00 0.00 O ATOM 0 H GLU A 56 -3.446 6.747 -17.662 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.993 7.985 -17.662 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.306 8.491 -18.939 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.689 9.434 -19.459 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.119 9.197 -16.516 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.119 10.257 -17.490 1.00 0.00 H new ATOM 958 N THR A 64 -20.221 -4.318 -23.513 1.00 0.00 N ATOM 959 CA THR A 64 -21.412 -5.015 -23.983 1.00 0.00 C ATOM 960 C THR A 64 -21.127 -6.494 -24.214 1.00 0.00 C ATOM 961 O THR A 64 -20.301 -6.855 -25.053 1.00 0.00 O ATOM 962 CB THR A 64 -21.947 -4.396 -25.288 1.00 0.00 C ATOM 963 OG1 THR A 64 -22.135 -2.986 -25.121 1.00 0.00 O ATOM 964 CG2 THR A 64 -23.262 -5.044 -25.695 1.00 0.00 C ATOM 0 HA THR A 64 -22.168 -4.911 -23.204 1.00 0.00 H new ATOM 0 HB THR A 64 -21.214 -4.573 -26.075 1.00 0.00 H new ATOM 0 HG1 THR A 64 -21.555 -2.662 -24.401 1.00 0.00 H new ATOM 0 HG21 THR A 64 -23.620 -4.591 -26.619 1.00 0.00 H new ATOM 0 HG22 THR A 64 -23.109 -6.112 -25.850 1.00 0.00 H new ATOM 0 HG23 THR A 64 -24.000 -4.894 -24.907 1.00 0.00 H new ATOM 972 N CYS A 65 -21.817 -7.349 -23.466 1.00 0.00 N ATOM 973 CA CYS A 65 -21.639 -8.790 -23.589 1.00 0.00 C ATOM 974 C CYS A 65 -21.941 -9.256 -25.011 1.00 0.00 C ATOM 975 O CYS A 65 -22.605 -8.557 -25.777 1.00 0.00 O ATOM 976 CB CYS A 65 -22.545 -9.524 -22.598 1.00 0.00 C ATOM 977 SG CYS A 65 -22.604 -11.328 -22.840 1.00 0.00 S ATOM 0 H CYS A 65 -22.505 -7.068 -22.768 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.599 -9.023 -23.361 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -22.202 -9.315 -21.585 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -23.555 -9.124 -22.681 1.00 0.00 H new ATOM 0 HG CYS A 65 -21.992 -11.918 -21.856 1.00 0.00 H new ATOM 982 N HIS A 66 -21.449 -10.442 -25.356 1.00 0.00 N ATOM 983 CA HIS A 66 -21.666 -11.002 -26.685 1.00 0.00 C ATOM 984 C HIS A 66 -22.662 -12.156 -26.632 1.00 0.00 C ATOM 985 O HIS A 66 -23.478 -12.328 -27.539 1.00 0.00 O ATOM 986 CB HIS A 66 -20.343 -11.481 -27.282 1.00 0.00 C ATOM 987 CG HIS A 66 -20.478 -12.043 -28.664 1.00 0.00 C ATOM 988 ND1 HIS A 66 -20.915 -11.300 -29.740 1.00 0.00 N ATOM 989 CD2 HIS A 66 -20.229 -13.285 -29.143 1.00 0.00 C ATOM 990 CE1 HIS A 66 -20.931 -12.059 -30.820 1.00 0.00 C ATOM 991 NE2 HIS A 66 -20.518 -13.269 -30.485 1.00 0.00 N ATOM 0 H HIS A 66 -20.898 -11.033 -24.734 1.00 0.00 H new ATOM 0 HA HIS A 66 -22.079 -10.218 -27.320 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -19.641 -10.647 -27.305 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -19.914 -12.241 -26.630 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -19.870 -14.131 -28.575 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -21.231 -11.745 -31.809 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -20.429 -14.062 -31.120 1.00 0.00 H new ATOM 999 N HIS A 67 -22.590 -12.946 -25.565 1.00 0.00 N ATOM 1000 CA HIS A 67 -23.485 -14.084 -25.394 1.00 0.00 C ATOM 1001 C HIS A 67 -24.943 -13.636 -25.406 1.00 0.00 C ATOM 1002 O HIS A 67 -25.738 -14.096 -26.226 1.00 0.00 O ATOM 1003 CB HIS A 67 -23.174 -14.812 -24.086 1.00 0.00 C ATOM 1004 CG HIS A 67 -21.907 -15.610 -24.130 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -21.735 -16.703 -24.953 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -20.746 -15.466 -23.449 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -20.523 -17.199 -24.774 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -19.903 -16.466 -23.867 1.00 0.00 N ATOM 0 H HIS A 67 -21.921 -12.818 -24.806 1.00 0.00 H new ATOM 0 HA HIS A 67 -23.327 -14.767 -26.228 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -23.105 -14.081 -23.281 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -24.004 -15.476 -23.844 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -20.524 -14.706 -22.714 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -20.110 -18.057 -25.283 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -18.952 -16.618 -23.531 1.00 0.00 H new ATOM 1016 N CYS A 68 -25.288 -12.735 -24.492 1.00 0.00 N ATOM 1017 CA CYS A 68 -26.650 -12.224 -24.396 1.00 0.00 C ATOM 1018 C CYS A 68 -26.761 -10.846 -25.041 1.00 0.00 C ATOM 1019 O CYS A 68 -27.700 -10.571 -25.787 1.00 0.00 O ATOM 1020 CB CYS A 68 -27.088 -12.151 -22.932 1.00 0.00 C ATOM 1021 SG CYS A 68 -26.081 -11.028 -21.910 1.00 0.00 S ATOM 0 H CYS A 68 -24.642 -12.343 -23.807 1.00 0.00 H new ATOM 0 HA CYS A 68 -27.307 -12.910 -24.931 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -28.128 -11.828 -22.891 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -27.048 -13.152 -22.501 1.00 0.00 H new ATOM 0 HG CYS A 68 -24.833 -11.124 -22.261 1.00 0.00 H new ATOM 1026 N GLY A 69 -25.794 -9.981 -24.748 1.00 0.00 N ATOM 1027 CA GLY A 69 -25.801 -8.642 -25.307 1.00 0.00 C ATOM 1028 C GLY A 69 -26.126 -7.584 -24.272 1.00 0.00 C ATOM 1029 O GLY A 69 -26.650 -6.520 -24.603 1.00 0.00 O ATOM 0 H GLY A 69 -25.006 -10.184 -24.133 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -24.826 -8.430 -25.746 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -26.531 -8.592 -26.115 1.00 0.00 H new ATOM 1033 N LYS A 70 -25.816 -7.875 -23.013 1.00 0.00 N ATOM 1034 CA LYS A 70 -26.078 -6.941 -21.924 1.00 0.00 C ATOM 1035 C LYS A 70 -25.243 -5.674 -22.081 1.00 0.00 C ATOM 1036 O LYS A 70 -24.176 -5.696 -22.694 1.00 0.00 O ATOM 1037 CB LYS A 70 -25.777 -7.599 -20.576 1.00 0.00 C ATOM 1038 CG LYS A 70 -26.667 -7.109 -19.447 1.00 0.00 C ATOM 1039 CD LYS A 70 -26.539 -7.988 -18.214 1.00 0.00 C ATOM 1040 CE LYS A 70 -27.843 -8.049 -17.435 1.00 0.00 C ATOM 1041 NZ LYS A 70 -28.556 -6.742 -17.443 1.00 0.00 N ATOM 0 H LYS A 70 -25.383 -8.751 -22.721 1.00 0.00 H new ATOM 0 HA LYS A 70 -27.132 -6.667 -21.960 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -25.891 -8.679 -20.675 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -24.736 -7.411 -20.314 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -26.402 -6.083 -19.193 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -27.705 -7.097 -19.780 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -26.245 -8.994 -18.512 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -25.748 -7.602 -17.571 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -28.487 -8.816 -17.865 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -27.638 -8.344 -16.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -29.185 -6.684 -16.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -27.862 -5.968 -17.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -29.120 -6.659 -18.313 1.00 0.00 H new ATOM 1055 N GLN A 71 -25.736 -4.573 -21.523 1.00 0.00 N ATOM 1056 CA GLN A 71 -25.034 -3.297 -21.601 1.00 0.00 C ATOM 1057 C GLN A 71 -25.103 -2.555 -20.270 1.00 0.00 C ATOM 1058 O GLN A 71 -26.143 -2.003 -19.909 1.00 0.00 O ATOM 1059 CB GLN A 71 -25.628 -2.431 -22.713 1.00 0.00 C ATOM 1060 CG GLN A 71 -25.128 -2.796 -24.101 1.00 0.00 C ATOM 1061 CD GLN A 71 -25.210 -1.637 -25.075 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -26.300 -1.193 -25.438 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -24.056 -1.140 -25.503 1.00 0.00 N ATOM 0 H GLN A 71 -26.618 -4.539 -21.012 1.00 0.00 H new ATOM 0 HA GLN A 71 -23.988 -3.500 -21.829 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -26.714 -2.522 -22.692 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -25.391 -1.386 -22.514 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -24.095 -3.136 -24.033 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -25.713 -3.631 -24.486 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -23.176 -1.539 -25.176 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -24.049 -0.359 -26.159 1.00 0.00 H new ATOM 1072 N LEU A 72 -23.990 -2.546 -19.545 1.00 0.00 N ATOM 1073 CA LEU A 72 -23.924 -1.872 -18.253 1.00 0.00 C ATOM 1074 C LEU A 72 -22.679 -0.996 -18.159 1.00 0.00 C ATOM 1075 O LEU A 72 -21.611 -1.363 -18.649 1.00 0.00 O ATOM 1076 CB LEU A 72 -23.927 -2.898 -17.119 1.00 0.00 C ATOM 1077 CG LEU A 72 -25.159 -3.799 -17.032 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -24.853 -5.045 -16.217 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -26.333 -3.041 -16.430 1.00 0.00 C ATOM 0 H LEU A 72 -23.121 -2.998 -19.830 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.803 -1.234 -18.159 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -23.046 -3.531 -17.226 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -23.824 -2.365 -16.174 1.00 0.00 H new ATOM 0 HG LEU A 72 -25.431 -4.108 -18.041 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -25.742 -5.674 -16.166 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -24.043 -5.599 -16.690 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -24.555 -4.756 -15.209 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.201 -3.698 -16.376 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -26.072 -2.702 -15.428 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.569 -2.179 -17.055 1.00 0.00 H new ATOM 1091 N ARG A 73 -22.824 0.163 -17.525 1.00 0.00 N ATOM 1092 CA ARG A 73 -21.710 1.091 -17.365 1.00 0.00 C ATOM 1093 C ARG A 73 -20.762 0.618 -16.267 1.00 0.00 C ATOM 1094 O ARG A 73 -19.571 0.928 -16.286 1.00 0.00 O ATOM 1095 CB ARG A 73 -22.229 2.492 -17.038 1.00 0.00 C ATOM 1096 CG ARG A 73 -23.079 2.548 -15.778 1.00 0.00 C ATOM 1097 CD ARG A 73 -23.059 3.935 -15.154 1.00 0.00 C ATOM 1098 NE ARG A 73 -23.929 4.867 -15.866 1.00 0.00 N ATOM 1099 CZ ARG A 73 -24.331 6.028 -15.361 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -23.944 6.397 -14.148 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -25.123 6.823 -16.070 1.00 0.00 N ATOM 0 H ARG A 73 -23.701 0.482 -17.114 1.00 0.00 H new ATOM 0 HA ARG A 73 -21.160 1.125 -18.305 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -21.381 3.167 -16.924 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.817 2.858 -17.880 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -24.105 2.270 -16.018 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -22.711 1.818 -15.057 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -23.374 3.869 -14.113 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -22.039 4.318 -15.155 1.00 0.00 H new ATOM 0 HE ARG A 73 -24.245 4.613 -16.802 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -23.336 5.789 -13.600 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -24.254 7.289 -13.763 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -25.424 6.543 -17.004 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -25.431 7.714 -15.681 1.00 0.00 H new ATOM 1115 N SER A 74 -21.299 -0.133 -15.311 1.00 0.00 N ATOM 1116 CA SER A 74 -20.502 -0.645 -14.202 1.00 0.00 C ATOM 1117 C SER A 74 -20.086 -2.091 -14.455 1.00 0.00 C ATOM 1118 O SER A 74 -20.904 -3.008 -14.373 1.00 0.00 O ATOM 1119 CB SER A 74 -21.289 -0.549 -12.894 1.00 0.00 C ATOM 1120 OG SER A 74 -21.775 0.766 -12.686 1.00 0.00 O ATOM 0 H SER A 74 -22.283 -0.401 -15.282 1.00 0.00 H new ATOM 0 HA SER A 74 -19.602 -0.035 -14.121 1.00 0.00 H new ATOM 0 HB2 SER A 74 -22.124 -1.249 -12.916 1.00 0.00 H new ATOM 0 HB3 SER A 74 -20.651 -0.840 -12.060 1.00 0.00 H new ATOM 0 HG SER A 74 -22.276 0.800 -11.844 1.00 0.00 H new ATOM 1126 N LEU A 75 -18.808 -2.287 -14.761 1.00 0.00 N ATOM 1127 CA LEU A 75 -18.281 -3.621 -15.026 1.00 0.00 C ATOM 1128 C LEU A 75 -18.735 -4.608 -13.955 1.00 0.00 C ATOM 1129 O LEU A 75 -19.133 -5.732 -14.261 1.00 0.00 O ATOM 1130 CB LEU A 75 -16.753 -3.584 -15.087 1.00 0.00 C ATOM 1131 CG LEU A 75 -16.071 -4.853 -15.601 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -16.248 -4.981 -17.107 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -14.595 -4.851 -15.234 1.00 0.00 C ATOM 0 H LEU A 75 -18.118 -1.539 -14.832 1.00 0.00 H new ATOM 0 HA LEU A 75 -18.669 -3.954 -15.989 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.455 -2.752 -15.724 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.374 -3.371 -14.087 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.542 -5.714 -15.126 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.756 -5.889 -17.455 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.310 -5.029 -17.346 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.804 -4.116 -17.600 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.126 -5.761 -15.608 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.110 -3.983 -15.681 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.490 -4.807 -14.150 1.00 0.00 H new ATOM 1145 N ALA A 76 -18.674 -4.179 -12.699 1.00 0.00 N ATOM 1146 CA ALA A 76 -19.083 -5.023 -11.583 1.00 0.00 C ATOM 1147 C ALA A 76 -20.406 -5.722 -11.878 1.00 0.00 C ATOM 1148 O ALA A 76 -20.466 -6.947 -11.967 1.00 0.00 O ATOM 1149 CB ALA A 76 -19.193 -4.198 -10.309 1.00 0.00 C ATOM 0 H ALA A 76 -18.345 -3.252 -12.429 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.321 -5.789 -11.442 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -19.499 -4.841 -9.484 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.226 -3.751 -10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -19.933 -3.410 -10.449 1.00 0.00 H new ATOM 1155 N GLY A 77 -21.466 -4.933 -12.030 1.00 0.00 N ATOM 1156 CA GLY A 77 -22.774 -5.494 -12.313 1.00 0.00 C ATOM 1157 C GLY A 77 -22.746 -6.476 -13.467 1.00 0.00 C ATOM 1158 O GLY A 77 -23.338 -7.552 -13.389 1.00 0.00 O ATOM 0 H GLY A 77 -21.442 -3.916 -11.962 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -23.151 -5.996 -11.422 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -23.470 -4.687 -12.543 1.00 0.00 H new ATOM 1162 N MET A 78 -22.057 -6.105 -14.541 1.00 0.00 N ATOM 1163 CA MET A 78 -21.955 -6.962 -15.717 1.00 0.00 C ATOM 1164 C MET A 78 -21.326 -8.305 -15.358 1.00 0.00 C ATOM 1165 O MET A 78 -21.925 -9.360 -15.571 1.00 0.00 O ATOM 1166 CB MET A 78 -21.130 -6.275 -16.806 1.00 0.00 C ATOM 1167 CG MET A 78 -20.557 -7.237 -17.834 1.00 0.00 C ATOM 1168 SD MET A 78 -19.718 -6.391 -19.187 1.00 0.00 S ATOM 1169 CE MET A 78 -21.113 -5.686 -20.062 1.00 0.00 C ATOM 0 H MET A 78 -21.561 -5.217 -14.622 1.00 0.00 H new ATOM 0 HA MET A 78 -22.962 -7.141 -16.093 1.00 0.00 H new ATOM 0 HB2 MET A 78 -21.755 -5.542 -17.316 1.00 0.00 H new ATOM 0 HB3 MET A 78 -20.312 -5.726 -16.339 1.00 0.00 H new ATOM 0 HG2 MET A 78 -19.856 -7.912 -17.343 1.00 0.00 H new ATOM 0 HG3 MET A 78 -21.361 -7.852 -18.238 1.00 0.00 H new ATOM 0 HE1 MET A 78 -20.804 -5.396 -21.066 1.00 0.00 H new ATOM 0 HE2 MET A 78 -21.912 -6.424 -20.127 1.00 0.00 H new ATOM 0 HE3 MET A 78 -21.473 -4.808 -19.526 1.00 0.00 H new ATOM 1179 N LYS A 79 -20.116 -8.259 -14.812 1.00 0.00 N ATOM 1180 CA LYS A 79 -19.406 -9.472 -14.422 1.00 0.00 C ATOM 1181 C LYS A 79 -20.328 -10.423 -13.666 1.00 0.00 C ATOM 1182 O LYS A 79 -20.065 -11.623 -13.583 1.00 0.00 O ATOM 1183 CB LYS A 79 -18.195 -9.121 -13.554 1.00 0.00 C ATOM 1184 CG LYS A 79 -17.002 -8.618 -14.349 1.00 0.00 C ATOM 1185 CD LYS A 79 -15.811 -8.335 -13.449 1.00 0.00 C ATOM 1186 CE LYS A 79 -16.036 -7.093 -12.602 1.00 0.00 C ATOM 1187 NZ LYS A 79 -15.062 -7.004 -11.478 1.00 0.00 N ATOM 0 H LYS A 79 -19.606 -7.395 -14.629 1.00 0.00 H new ATOM 0 HA LYS A 79 -19.064 -9.971 -15.329 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -18.486 -8.360 -12.830 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -17.897 -10.003 -12.987 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -16.725 -9.359 -15.099 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -17.278 -7.710 -14.885 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.632 -9.192 -12.800 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.916 -8.204 -14.058 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.949 -6.205 -13.229 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -17.050 -7.104 -12.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.249 -6.144 -10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.162 -7.838 -10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.095 -6.968 -11.859 1.00 0.00 H new ATOM 1201 N TYR A 80 -21.409 -9.880 -13.117 1.00 0.00 N ATOM 1202 CA TYR A 80 -22.369 -10.681 -12.367 1.00 0.00 C ATOM 1203 C TYR A 80 -23.449 -11.240 -13.288 1.00 0.00 C ATOM 1204 O TYR A 80 -23.894 -12.377 -13.123 1.00 0.00 O ATOM 1205 CB TYR A 80 -23.011 -9.842 -11.261 1.00 0.00 C ATOM 1206 CG TYR A 80 -23.471 -10.656 -10.073 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -24.656 -11.380 -10.118 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -22.720 -10.702 -8.904 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -25.080 -12.124 -9.035 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -23.135 -11.445 -7.817 1.00 0.00 C ATOM 1211 CZ TYR A 80 -24.316 -12.154 -7.886 1.00 0.00 C ATOM 1212 OH TYR A 80 -24.735 -12.896 -6.805 1.00 0.00 O ATOM 0 H TYR A 80 -21.642 -8.889 -13.177 1.00 0.00 H new ATOM 0 HA TYR A 80 -21.833 -11.516 -11.916 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -22.295 -9.093 -10.922 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.864 -9.303 -11.674 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -25.256 -11.360 -11.016 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -21.796 -10.147 -8.845 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -26.005 -12.680 -9.087 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -22.538 -11.471 -6.917 1.00 0.00 H new ATOM 0 HH TYR A 80 -24.084 -12.811 -6.078 1.00 0.00 H new ATOM 1222 N HIS A 81 -23.866 -10.434 -14.259 1.00 0.00 N ATOM 1223 CA HIS A 81 -24.893 -10.847 -15.208 1.00 0.00 C ATOM 1224 C HIS A 81 -24.554 -12.204 -15.819 1.00 0.00 C ATOM 1225 O HIS A 81 -25.444 -12.976 -16.175 1.00 0.00 O ATOM 1226 CB HIS A 81 -25.047 -9.801 -16.313 1.00 0.00 C ATOM 1227 CG HIS A 81 -24.175 -10.056 -17.504 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -23.285 -9.125 -17.997 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -24.059 -11.144 -18.300 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -22.660 -9.630 -19.046 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -23.111 -10.854 -19.250 1.00 0.00 N ATOM 0 H HIS A 81 -23.508 -9.491 -14.409 1.00 0.00 H new ATOM 0 HA HIS A 81 -25.836 -10.936 -14.669 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -26.088 -9.774 -16.634 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -24.814 -8.817 -15.906 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -24.610 -12.068 -18.206 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -21.908 -9.127 -19.636 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -22.805 -11.482 -19.993 1.00 0.00 H new ATOM 1239 N VAL A 82 -23.261 -12.487 -15.937 1.00 0.00 N ATOM 1240 CA VAL A 82 -22.804 -13.750 -16.505 1.00 0.00 C ATOM 1241 C VAL A 82 -23.048 -14.906 -15.541 1.00 0.00 C ATOM 1242 O VAL A 82 -23.632 -15.923 -15.911 1.00 0.00 O ATOM 1243 CB VAL A 82 -21.305 -13.698 -16.857 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -20.843 -15.032 -17.423 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -21.028 -12.568 -17.838 1.00 0.00 C ATOM 0 H VAL A 82 -22.511 -11.859 -15.647 1.00 0.00 H new ATOM 0 HA VAL A 82 -23.378 -13.913 -17.417 1.00 0.00 H new ATOM 0 HB VAL A 82 -20.741 -13.503 -15.945 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -19.782 -14.976 -17.666 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -21.005 -15.817 -16.684 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -21.410 -15.260 -18.325 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -19.965 -12.545 -18.076 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -21.601 -12.730 -18.751 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -21.320 -11.618 -17.390 1.00 0.00 H new ATOM 1255 N MET A 83 -22.597 -14.741 -14.302 1.00 0.00 N ATOM 1256 CA MET A 83 -22.768 -15.770 -13.283 1.00 0.00 C ATOM 1257 C MET A 83 -24.243 -15.965 -12.949 1.00 0.00 C ATOM 1258 O MET A 83 -24.648 -17.028 -12.478 1.00 0.00 O ATOM 1259 CB MET A 83 -21.991 -15.400 -12.018 1.00 0.00 C ATOM 1260 CG MET A 83 -20.504 -15.701 -12.108 1.00 0.00 C ATOM 1261 SD MET A 83 -19.564 -14.968 -10.755 1.00 0.00 S ATOM 1262 CE MET A 83 -19.522 -13.251 -11.262 1.00 0.00 C ATOM 0 H MET A 83 -22.110 -13.905 -13.979 1.00 0.00 H new ATOM 0 HA MET A 83 -22.377 -16.707 -13.680 1.00 0.00 H new ATOM 0 HB2 MET A 83 -22.127 -14.338 -11.816 1.00 0.00 H new ATOM 0 HB3 MET A 83 -22.412 -15.942 -11.171 1.00 0.00 H new ATOM 0 HG2 MET A 83 -20.355 -16.781 -12.106 1.00 0.00 H new ATOM 0 HG3 MET A 83 -20.119 -15.328 -13.057 1.00 0.00 H new ATOM 0 HE1 MET A 83 -19.625 -12.610 -10.386 1.00 0.00 H new ATOM 0 HE2 MET A 83 -18.573 -13.041 -11.756 1.00 0.00 H new ATOM 0 HE3 MET A 83 -20.342 -13.055 -11.953 1.00 0.00 H new ATOM 1272 N ALA A 84 -25.042 -14.932 -13.196 1.00 0.00 N ATOM 1273 CA ALA A 84 -26.473 -14.991 -12.923 1.00 0.00 C ATOM 1274 C ALA A 84 -27.229 -15.621 -14.088 1.00 0.00 C ATOM 1275 O ALA A 84 -28.012 -16.551 -13.902 1.00 0.00 O ATOM 1276 CB ALA A 84 -27.013 -13.598 -12.633 1.00 0.00 C ATOM 0 H ALA A 84 -24.723 -14.045 -13.585 1.00 0.00 H new ATOM 0 HA ALA A 84 -26.624 -15.618 -12.044 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -28.082 -13.657 -12.431 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -26.502 -13.183 -11.764 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -26.842 -12.954 -13.496 1.00 0.00 H new ATOM 1282 N ASN A 85 -26.989 -15.107 -15.290 1.00 0.00 N ATOM 1283 CA ASN A 85 -27.648 -15.618 -16.486 1.00 0.00 C ATOM 1284 C ASN A 85 -26.913 -16.839 -17.033 1.00 0.00 C ATOM 1285 O ASN A 85 -27.482 -17.927 -17.131 1.00 0.00 O ATOM 1286 CB ASN A 85 -27.721 -14.530 -17.559 1.00 0.00 C ATOM 1287 CG ASN A 85 -28.248 -13.216 -17.015 1.00 0.00 C ATOM 1288 OD1 ASN A 85 -27.525 -12.134 -17.280 1.00 0.00 O flip ATOM 1289 ND2 ASN A 85 -29.292 -13.175 -16.365 1.00 0.00 N flip ATOM 0 H ASN A 85 -26.343 -14.337 -15.461 1.00 0.00 H new ATOM 0 HA ASN A 85 -28.660 -15.917 -16.212 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -26.729 -14.373 -17.982 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -28.364 -14.868 -18.372 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -29.815 -14.032 -16.186 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -29.634 -12.284 -16.006 1.00 0.00 H new ATOM 1296 N HIS A 86 -25.646 -16.650 -17.387 1.00 0.00 N ATOM 1297 CA HIS A 86 -24.832 -17.735 -17.922 1.00 0.00 C ATOM 1298 C HIS A 86 -24.239 -18.576 -16.796 1.00 0.00 C ATOM 1299 O HIS A 86 -23.073 -18.965 -16.847 1.00 0.00 O ATOM 1300 CB HIS A 86 -23.713 -17.176 -18.801 1.00 0.00 C ATOM 1301 CG HIS A 86 -24.163 -16.084 -19.721 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -25.273 -16.193 -20.533 1.00 0.00 N ATOM 1303 CD2 HIS A 86 -23.648 -14.854 -19.955 1.00 0.00 C ATOM 1304 CE1 HIS A 86 -25.419 -15.078 -21.227 1.00 0.00 C ATOM 1305 NE2 HIS A 86 -24.446 -14.250 -20.894 1.00 0.00 N ATOM 0 H HIS A 86 -25.161 -15.756 -17.313 1.00 0.00 H new ATOM 0 HA HIS A 86 -25.475 -18.373 -18.528 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -22.916 -16.796 -18.162 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -23.288 -17.987 -19.393 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -22.772 -14.427 -19.489 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -26.201 -14.878 -21.944 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -24.310 -13.313 -21.273 1.00 0.00 H new