USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 399 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 Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -58:sc= 0.628! USER MOD Single : A 35 GLN :FLIP amide:sc= -4.24! C(o=-7.2!,f=-4.2!) USER MOD Single : A 36 TYR OH : rot 110:sc= -0.47 USER MOD Single : A 38 GLN : amide:sc= -2.72! X(o=-2.7!,f=-2.4) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 98:sc= -0.364! USER MOD Single : A 44 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0654 X(o=-0.065,f=-0.54) USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= -5.84! (180deg=-6.44!) USER MOD Single : A 68 CYS SG : rot -76:sc= 0.104 USER MOD Single : A 72 ASN : amide:sc= -0.623 K(o=-0.62,f=-1.8) USER MOD Single : A 73 THR OG1 : rot 77:sc= 1.02 USER MOD Single : A 75 ASN : amide:sc= -9.36! C(o=-9.4!,f=-11!) USER MOD Single : A 76 LYS NZ :NH3+ -120:sc= -1.1 (180deg=-3.32!) USER MOD Single : A 77 CYS SG : rot -28:sc= 0.994 USER MOD ----------------------------------------------------------------- ATOM 293 N GLU A 20 4.414 9.095 -2.886 1.00 1.00 N ATOM 294 CA GLU A 20 3.457 8.103 -2.423 1.00 1.00 C ATOM 295 C GLU A 20 2.340 7.938 -3.445 1.00 1.00 C ATOM 296 O GLU A 20 1.959 6.823 -3.784 1.00 1.00 O ATOM 297 CB GLU A 20 2.866 8.534 -1.079 1.00 1.00 C ATOM 298 CG GLU A 20 3.305 7.556 0.010 1.00 1.00 C ATOM 299 CD GLU A 20 2.656 6.195 -0.218 1.00 1.00 C ATOM 300 OE1 GLU A 20 1.805 6.106 -1.089 1.00 1.00 O ATOM 301 OE2 GLU A 20 3.018 5.262 0.480 1.00 1.00 O ATOM 0 HA GLU A 20 3.971 7.150 -2.299 1.00 1.00 H new ATOM 0 HB2 GLU A 20 3.197 9.543 -0.831 1.00 1.00 H new ATOM 0 HB3 GLU A 20 1.778 8.561 -1.140 1.00 1.00 H new ATOM 0 HG2 GLU A 20 4.390 7.456 0.004 1.00 1.00 H new ATOM 0 HG3 GLU A 20 3.026 7.942 0.991 1.00 1.00 H new ATOM 308 N ALA A 21 1.822 9.058 -3.934 1.00 1.00 N ATOM 309 CA ALA A 21 0.750 9.021 -4.921 1.00 1.00 C ATOM 310 C ALA A 21 1.102 8.076 -6.064 1.00 1.00 C ATOM 311 O ALA A 21 0.322 7.191 -6.414 1.00 1.00 O ATOM 312 CB ALA A 21 0.497 10.424 -5.473 1.00 1.00 C ATOM 0 H ALA A 21 2.123 9.995 -3.666 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.153 8.657 -4.432 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.306 10.386 -6.210 1.00 1.00 H new ATOM 0 HB2 ALA A 21 0.211 11.089 -4.658 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.405 10.799 -5.945 1.00 1.00 H new ATOM 318 N LYS A 22 2.279 8.275 -6.645 1.00 1.00 N ATOM 319 CA LYS A 22 2.721 7.438 -7.754 1.00 1.00 C ATOM 320 C LYS A 22 2.815 5.975 -7.328 1.00 1.00 C ATOM 321 O LYS A 22 2.483 5.077 -8.097 1.00 1.00 O ATOM 322 CB LYS A 22 4.089 7.908 -8.268 1.00 1.00 C ATOM 323 CG LYS A 22 4.196 9.440 -8.203 1.00 1.00 C ATOM 324 CD LYS A 22 3.039 10.095 -8.968 1.00 1.00 C ATOM 325 CE LYS A 22 3.041 9.614 -10.422 1.00 1.00 C ATOM 326 NZ LYS A 22 2.439 10.666 -11.291 1.00 1.00 N ATOM 0 H LYS A 22 2.940 9.002 -6.370 1.00 1.00 H new ATOM 0 HA LYS A 22 1.985 7.526 -8.553 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.882 7.457 -7.671 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.233 7.572 -9.295 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.183 9.767 -7.163 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.147 9.762 -8.626 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.090 9.845 -8.494 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.136 11.180 -8.934 1.00 1.00 H new ATOM 0 HE2 LYS A 22 4.060 9.399 -10.744 1.00 1.00 H new ATOM 0 HE3 LYS A 22 2.476 8.686 -10.511 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 2.439 10.342 -12.279 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 1.462 10.850 -10.987 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 2.996 11.541 -11.214 1.00 1.00 H new ATOM 340 N GLU A 23 3.264 5.741 -6.099 1.00 1.00 N ATOM 341 CA GLU A 23 3.390 4.381 -5.594 1.00 1.00 C ATOM 342 C GLU A 23 2.014 3.824 -5.279 1.00 1.00 C ATOM 343 O GLU A 23 1.589 2.825 -5.852 1.00 1.00 O ATOM 344 CB GLU A 23 4.260 4.363 -4.335 1.00 1.00 C ATOM 345 CG GLU A 23 5.711 4.663 -4.718 1.00 1.00 C ATOM 346 CD GLU A 23 6.621 4.502 -3.506 1.00 1.00 C ATOM 347 OE1 GLU A 23 6.289 3.711 -2.639 1.00 1.00 O ATOM 348 OE2 GLU A 23 7.646 5.162 -3.470 1.00 1.00 O ATOM 0 H GLU A 23 3.544 6.468 -5.441 1.00 1.00 H new ATOM 0 HA GLU A 23 3.864 3.762 -6.356 1.00 1.00 H new ATOM 0 HB2 GLU A 23 3.900 5.103 -3.620 1.00 1.00 H new ATOM 0 HB3 GLU A 23 4.194 3.390 -3.848 1.00 1.00 H new ATOM 0 HG2 GLU A 23 6.031 3.990 -5.514 1.00 1.00 H new ATOM 0 HG3 GLU A 23 5.789 5.678 -5.108 1.00 1.00 H new ATOM 355 N ALA A 24 1.320 4.485 -4.369 1.00 1.00 N ATOM 356 CA ALA A 24 -0.014 4.064 -3.984 1.00 1.00 C ATOM 357 C ALA A 24 -0.829 3.674 -5.211 1.00 1.00 C ATOM 358 O ALA A 24 -1.583 2.705 -5.184 1.00 1.00 O ATOM 359 CB ALA A 24 -0.716 5.204 -3.244 1.00 1.00 C ATOM 0 H ALA A 24 1.659 5.315 -3.883 1.00 1.00 H new ATOM 0 HA ALA A 24 0.069 3.196 -3.330 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -1.718 4.887 -2.955 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.146 5.464 -2.352 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -0.785 6.074 -3.897 1.00 1.00 H new ATOM 365 N CYS A 25 -0.676 4.440 -6.284 1.00 1.00 N ATOM 366 CA CYS A 25 -1.411 4.171 -7.517 1.00 1.00 C ATOM 367 C CYS A 25 -0.710 3.104 -8.357 1.00 1.00 C ATOM 368 O CYS A 25 -1.363 2.240 -8.940 1.00 1.00 O ATOM 369 CB CYS A 25 -1.544 5.458 -8.334 1.00 1.00 C ATOM 370 SG CYS A 25 -0.224 5.533 -9.570 1.00 1.00 S ATOM 0 H CYS A 25 -0.054 5.248 -6.327 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.400 3.801 -7.247 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.517 5.490 -8.824 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.489 6.325 -7.676 1.00 1.00 H new ATOM 0 HG CYS A 25 0.931 5.475 -8.976 1.00 1.00 H new ATOM 376 N ASP A 26 0.615 3.175 -8.419 1.00 1.00 N ATOM 377 CA ASP A 26 1.390 2.212 -9.198 1.00 1.00 C ATOM 378 C ASP A 26 1.530 0.891 -8.452 1.00 1.00 C ATOM 379 O ASP A 26 1.990 -0.104 -9.014 1.00 1.00 O ATOM 380 CB ASP A 26 2.780 2.775 -9.488 1.00 1.00 C ATOM 381 CG ASP A 26 3.571 1.798 -10.350 1.00 1.00 C ATOM 382 OD1 ASP A 26 3.202 1.616 -11.498 1.00 1.00 O ATOM 383 OD2 ASP A 26 4.538 1.248 -9.848 1.00 1.00 O ATOM 0 H ASP A 26 1.173 3.884 -7.943 1.00 1.00 H new ATOM 0 HA ASP A 26 0.860 2.032 -10.134 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.693 3.734 -9.998 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.309 2.958 -8.553 1.00 1.00 H new ATOM 388 N TRP A 27 1.139 0.887 -7.185 1.00 1.00 N ATOM 389 CA TRP A 27 1.233 -0.315 -6.368 1.00 1.00 C ATOM 390 C TRP A 27 -0.070 -1.105 -6.422 1.00 1.00 C ATOM 391 O TRP A 27 -0.060 -2.324 -6.593 1.00 1.00 O ATOM 392 CB TRP A 27 1.548 0.066 -4.921 1.00 1.00 C ATOM 393 CG TRP A 27 1.638 -1.167 -4.082 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.758 -1.905 -3.897 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.588 -1.820 -3.313 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.462 -2.966 -3.062 1.00 1.00 N ATOM 397 CE2 TRP A 27 1.136 -2.959 -2.676 1.00 1.00 C ATOM 398 CE3 TRP A 27 -0.775 -1.538 -3.107 1.00 1.00 C ATOM 399 CZ2 TRP A 27 0.361 -3.787 -1.864 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.559 -2.370 -2.292 1.00 1.00 C ATOM 401 CH2 TRP A 27 -0.992 -3.493 -1.671 1.00 1.00 C ATOM 0 H TRP A 27 0.755 1.699 -6.702 1.00 1.00 H new ATOM 0 HA TRP A 27 2.035 -0.940 -6.761 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.488 0.617 -4.876 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.773 0.726 -4.532 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.725 -1.698 -4.331 1.00 1.00 H new ATOM 0 HE1 TRP A 27 3.140 -3.668 -2.767 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.221 -0.675 -3.579 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.803 -4.649 -1.388 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.604 -2.144 -2.142 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -1.600 -4.129 -1.045 1.00 1.00 H new ATOM 412 N LEU A 28 -1.193 -0.405 -6.280 1.00 1.00 N ATOM 413 CA LEU A 28 -2.492 -1.066 -6.319 1.00 1.00 C ATOM 414 C LEU A 28 -2.593 -1.951 -7.559 1.00 1.00 C ATOM 415 O LEU A 28 -3.309 -2.951 -7.565 1.00 1.00 O ATOM 416 CB LEU A 28 -3.621 -0.023 -6.341 1.00 1.00 C ATOM 417 CG LEU A 28 -3.732 0.667 -4.975 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.374 2.047 -5.140 1.00 1.00 C ATOM 419 CD2 LEU A 28 -4.609 -0.172 -4.037 1.00 1.00 C ATOM 0 H LEU A 28 -1.230 0.605 -6.139 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.593 -1.683 -5.426 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.426 0.718 -7.116 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.566 -0.505 -6.591 1.00 1.00 H new ATOM 0 HG LEU A 28 -2.732 0.771 -4.554 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.450 2.532 -4.167 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.760 2.657 -5.802 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.370 1.936 -5.569 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -4.684 0.323 -3.069 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -5.604 -0.278 -4.468 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.163 -1.158 -3.907 1.00 1.00 H new ATOM 431 N ARG A 29 -1.868 -1.582 -8.608 1.00 1.00 N ATOM 432 CA ARG A 29 -1.887 -2.356 -9.846 1.00 1.00 C ATOM 433 C ARG A 29 -0.916 -3.529 -9.758 1.00 1.00 C ATOM 434 O ARG A 29 -1.128 -4.571 -10.378 1.00 1.00 O ATOM 435 CB ARG A 29 -1.510 -1.469 -11.037 1.00 1.00 C ATOM 436 CG ARG A 29 -1.576 0.004 -10.629 1.00 1.00 C ATOM 437 CD ARG A 29 -1.522 0.882 -11.881 1.00 1.00 C ATOM 438 NE ARG A 29 -1.570 2.291 -11.510 1.00 1.00 N ATOM 439 CZ ARG A 29 -1.908 3.222 -12.396 1.00 1.00 C ATOM 440 NH1 ARG A 29 -2.208 2.882 -13.619 1.00 1.00 N ATOM 441 NH2 ARG A 29 -1.940 4.478 -12.042 1.00 1.00 N ATOM 0 H ARG A 29 -1.265 -0.760 -8.628 1.00 1.00 H new ATOM 0 HA ARG A 29 -2.897 -2.739 -9.991 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -0.506 -1.715 -11.382 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -2.188 -1.656 -11.870 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -2.494 0.198 -10.075 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -0.746 0.246 -9.966 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -0.609 0.676 -12.439 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -2.358 0.643 -12.538 1.00 1.00 H new ATOM 0 HE ARG A 29 -1.340 2.567 -10.555 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -2.183 1.901 -13.896 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -2.467 3.597 -14.298 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -1.706 4.744 -11.086 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -2.199 5.193 -12.722 1.00 1.00 H new ATOM 455 N ALA A 30 0.150 -3.350 -8.987 1.00 1.00 N ATOM 456 CA ALA A 30 1.149 -4.400 -8.826 1.00 1.00 C ATOM 457 C ALA A 30 0.806 -5.291 -7.636 1.00 1.00 C ATOM 458 O ALA A 30 1.481 -6.288 -7.380 1.00 1.00 O ATOM 459 CB ALA A 30 2.531 -3.779 -8.619 1.00 1.00 C ATOM 0 H ALA A 30 0.344 -2.494 -8.467 1.00 1.00 H new ATOM 0 HA ALA A 30 1.156 -5.009 -9.730 1.00 1.00 H new ATOM 0 HB1 ALA A 30 3.271 -4.570 -8.500 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.789 -3.168 -9.484 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.519 -3.155 -7.725 1.00 1.00 H new ATOM 465 N ALA A 31 -0.244 -4.920 -6.910 1.00 1.00 N ATOM 466 CA ALA A 31 -0.664 -5.690 -5.745 1.00 1.00 C ATOM 467 C ALA A 31 -1.886 -6.544 -6.070 1.00 1.00 C ATOM 468 O ALA A 31 -2.283 -7.401 -5.279 1.00 1.00 O ATOM 469 CB ALA A 31 -0.992 -4.739 -4.592 1.00 1.00 C ATOM 0 H ALA A 31 -0.815 -4.098 -7.106 1.00 1.00 H new ATOM 0 HA ALA A 31 0.152 -6.352 -5.455 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -1.306 -5.316 -3.722 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.107 -4.154 -4.340 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -1.797 -4.068 -4.892 1.00 1.00 H new ATOM 475 N GLY A 32 -2.476 -6.310 -7.238 1.00 1.00 N ATOM 476 CA GLY A 32 -3.652 -7.068 -7.659 1.00 1.00 C ATOM 477 C GLY A 32 -4.913 -6.216 -7.565 1.00 1.00 C ATOM 478 O GLY A 32 -6.021 -6.740 -7.442 1.00 1.00 O ATOM 0 H GLY A 32 -2.163 -5.607 -7.907 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -3.518 -7.414 -8.684 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -3.760 -7.955 -7.034 1.00 1.00 H new ATOM 482 N PHE A 33 -4.734 -4.901 -7.625 1.00 1.00 N ATOM 483 CA PHE A 33 -5.860 -3.978 -7.544 1.00 1.00 C ATOM 484 C PHE A 33 -5.725 -2.887 -8.607 1.00 1.00 C ATOM 485 O PHE A 33 -5.572 -1.711 -8.285 1.00 1.00 O ATOM 486 CB PHE A 33 -5.907 -3.341 -6.152 1.00 1.00 C ATOM 487 CG PHE A 33 -6.094 -4.415 -5.109 1.00 1.00 C ATOM 488 CD1 PHE A 33 -5.041 -5.285 -4.805 1.00 1.00 C ATOM 489 CD2 PHE A 33 -7.322 -4.541 -4.446 1.00 1.00 C ATOM 490 CE1 PHE A 33 -5.213 -6.281 -3.836 1.00 1.00 C ATOM 491 CE2 PHE A 33 -7.494 -5.539 -3.478 1.00 1.00 C ATOM 492 CZ PHE A 33 -6.441 -6.408 -3.173 1.00 1.00 C ATOM 0 H PHE A 33 -3.824 -4.452 -7.729 1.00 1.00 H new ATOM 0 HA PHE A 33 -6.783 -4.530 -7.720 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -4.985 -2.792 -5.961 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -6.724 -2.621 -6.098 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -4.095 -5.188 -5.318 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -8.135 -3.870 -4.681 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -4.400 -6.951 -3.600 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -8.440 -5.638 -2.967 1.00 1.00 H new ATOM 0 HZ PHE A 33 -6.575 -7.177 -2.426 1.00 1.00 H new ATOM 502 N PRO A 34 -5.768 -3.259 -9.859 1.00 1.00 N ATOM 503 CA PRO A 34 -5.637 -2.294 -10.987 1.00 1.00 C ATOM 504 C PRO A 34 -6.895 -1.451 -11.186 1.00 1.00 C ATOM 505 O PRO A 34 -6.815 -0.274 -11.538 1.00 1.00 O ATOM 506 CB PRO A 34 -5.380 -3.188 -12.200 1.00 1.00 C ATOM 507 CG PRO A 34 -5.983 -4.512 -11.858 1.00 1.00 C ATOM 508 CD PRO A 34 -5.945 -4.641 -10.334 1.00 1.00 C ATOM 0 HA PRO A 34 -4.844 -1.568 -10.809 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -5.835 -2.770 -13.098 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.312 -3.283 -12.398 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -7.007 -4.575 -12.225 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.426 -5.322 -12.328 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -6.865 -5.080 -9.948 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -5.126 -5.282 -10.009 1.00 1.00 H new ATOM 516 N GLN A 35 -8.055 -2.060 -10.963 1.00 1.00 N ATOM 517 CA GLN A 35 -9.320 -1.352 -11.127 1.00 1.00 C ATOM 518 C GLN A 35 -9.471 -0.261 -10.071 1.00 1.00 C ATOM 519 O GLN A 35 -10.421 0.521 -10.108 1.00 1.00 O ATOM 520 CB GLN A 35 -10.486 -2.334 -11.013 1.00 1.00 C ATOM 521 CG GLN A 35 -10.702 -2.697 -9.543 1.00 1.00 C ATOM 522 CD GLN A 35 -11.661 -1.706 -8.893 1.00 1.00 C ATOM 523 OE1 GLN A 35 -11.199 -0.824 -8.048 1.00 1.00 O flip ATOM 524 NE2 GLN A 35 -12.861 -1.732 -9.163 1.00 1.00 N flip ATOM 0 H GLN A 35 -8.146 -3.033 -10.671 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.326 -0.889 -12.114 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.392 -1.890 -11.426 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.278 -3.232 -11.594 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -11.103 -3.707 -9.465 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -9.748 -2.691 -9.015 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -13.220 -2.421 -9.823 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -13.497 -1.064 -8.727 1.00 1.00 H new ATOM 533 N TYR A 36 -8.534 -0.213 -9.130 1.00 1.00 N ATOM 534 CA TYR A 36 -8.587 0.788 -8.070 1.00 1.00 C ATOM 535 C TYR A 36 -7.922 2.085 -8.515 1.00 1.00 C ATOM 536 O TYR A 36 -8.591 3.105 -8.660 1.00 1.00 O ATOM 537 CB TYR A 36 -7.897 0.265 -6.816 1.00 1.00 C ATOM 538 CG TYR A 36 -8.915 -0.388 -5.913 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.245 -1.738 -6.091 1.00 1.00 C ATOM 540 CD2 TYR A 36 -9.513 0.348 -4.884 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.172 -2.349 -5.240 1.00 1.00 C ATOM 542 CE2 TYR A 36 -10.440 -0.264 -4.033 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.770 -1.613 -4.210 1.00 1.00 C ATOM 544 OH TYR A 36 -11.684 -2.217 -3.372 1.00 1.00 O ATOM 0 H TYR A 36 -7.737 -0.848 -9.079 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.635 0.990 -7.848 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -7.123 -0.453 -7.087 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.403 1.083 -6.292 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -8.784 -2.307 -6.885 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -9.259 1.389 -4.747 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -10.427 -3.389 -5.378 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -10.901 0.305 -3.239 1.00 1.00 H new ATOM 0 HH TYR A 36 -11.292 -2.318 -2.479 1.00 1.00 H new ATOM 554 N ALA A 37 -6.604 2.046 -8.724 1.00 1.00 N ATOM 555 CA ALA A 37 -5.870 3.234 -9.152 1.00 1.00 C ATOM 556 C ALA A 37 -6.691 4.038 -10.151 1.00 1.00 C ATOM 557 O ALA A 37 -6.734 5.267 -10.090 1.00 1.00 O ATOM 558 CB ALA A 37 -4.545 2.821 -9.798 1.00 1.00 C ATOM 0 H ALA A 37 -6.029 1.212 -8.605 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.674 3.853 -8.277 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -4.002 3.711 -10.115 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -3.945 2.268 -9.076 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.744 2.189 -10.664 1.00 1.00 H new ATOM 564 N GLN A 38 -7.350 3.333 -11.062 1.00 1.00 N ATOM 565 CA GLN A 38 -8.180 3.987 -12.062 1.00 1.00 C ATOM 566 C GLN A 38 -9.028 5.068 -11.404 1.00 1.00 C ATOM 567 O GLN A 38 -9.164 6.173 -11.927 1.00 1.00 O ATOM 568 CB GLN A 38 -9.087 2.955 -12.733 1.00 1.00 C ATOM 569 CG GLN A 38 -8.579 2.665 -14.144 1.00 1.00 C ATOM 570 CD GLN A 38 -8.796 3.881 -15.036 1.00 1.00 C ATOM 571 OE1 GLN A 38 -9.800 4.582 -14.902 1.00 1.00 O ATOM 572 NE2 GLN A 38 -7.909 4.174 -15.947 1.00 1.00 N ATOM 0 H GLN A 38 -7.326 2.315 -11.128 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.539 4.446 -12.815 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -9.105 2.036 -12.147 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -10.111 3.328 -12.774 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -7.519 2.411 -14.113 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -9.102 1.802 -14.557 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -7.078 3.592 -16.056 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -8.046 4.985 -16.550 1.00 1.00 H new ATOM 581 N LEU A 39 -9.590 4.735 -10.247 1.00 1.00 N ATOM 582 CA LEU A 39 -10.419 5.678 -9.508 1.00 1.00 C ATOM 583 C LEU A 39 -9.690 7.007 -9.344 1.00 1.00 C ATOM 584 O LEU A 39 -10.308 8.073 -9.379 1.00 1.00 O ATOM 585 CB LEU A 39 -10.754 5.100 -8.128 1.00 1.00 C ATOM 586 CG LEU A 39 -11.652 3.867 -8.290 1.00 1.00 C ATOM 587 CD1 LEU A 39 -11.841 3.195 -6.929 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.022 4.277 -8.847 1.00 1.00 C ATOM 0 H LEU A 39 -9.487 3.823 -9.803 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.341 5.848 -10.065 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -9.837 4.828 -7.604 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -11.258 5.852 -7.520 1.00 1.00 H new ATOM 0 HG LEU A 39 -11.179 3.173 -8.985 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -12.479 2.318 -7.042 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -10.871 2.890 -6.536 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -12.308 3.897 -6.238 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -13.649 3.393 -8.957 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -13.499 4.977 -8.161 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -12.892 4.753 -9.819 1.00 1.00 H new ATOM 600 N TYR A 40 -8.372 6.940 -9.169 1.00 1.00 N ATOM 601 CA TYR A 40 -7.576 8.148 -9.006 1.00 1.00 C ATOM 602 C TYR A 40 -7.724 9.042 -10.229 1.00 1.00 C ATOM 603 O TYR A 40 -8.224 10.162 -10.135 1.00 1.00 O ATOM 604 CB TYR A 40 -6.101 7.788 -8.817 1.00 1.00 C ATOM 605 CG TYR A 40 -5.323 9.031 -8.450 1.00 1.00 C ATOM 606 CD1 TYR A 40 -5.563 9.667 -7.226 1.00 1.00 C ATOM 607 CD2 TYR A 40 -4.364 9.546 -9.331 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.845 10.818 -6.883 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.646 10.697 -8.989 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.886 11.333 -7.765 1.00 1.00 C ATOM 611 OH TYR A 40 -3.177 12.468 -7.427 1.00 1.00 O ATOM 0 H TYR A 40 -7.840 6.070 -9.137 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.932 8.680 -8.124 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.996 7.036 -8.035 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.701 7.353 -9.733 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -6.302 9.269 -6.547 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -4.179 9.055 -10.275 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -5.030 11.309 -5.939 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.907 11.095 -9.669 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.552 12.690 -8.148 1.00 1.00 H new ATOM 621 N GLU A 41 -7.284 8.537 -11.373 1.00 1.00 N ATOM 622 CA GLU A 41 -7.370 9.292 -12.615 1.00 1.00 C ATOM 623 C GLU A 41 -8.714 10.010 -12.718 1.00 1.00 C ATOM 624 O GLU A 41 -8.776 11.173 -13.116 1.00 1.00 O ATOM 625 CB GLU A 41 -7.202 8.352 -13.811 1.00 1.00 C ATOM 626 CG GLU A 41 -5.839 7.660 -13.738 1.00 1.00 C ATOM 627 CD GLU A 41 -5.946 6.246 -14.300 1.00 1.00 C ATOM 628 OE1 GLU A 41 -6.527 6.095 -15.360 1.00 1.00 O ATOM 629 OE2 GLU A 41 -5.449 5.336 -13.657 1.00 1.00 O ATOM 0 H GLU A 41 -6.866 7.612 -11.467 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.573 10.035 -12.620 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -7.998 7.608 -13.815 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -7.286 8.914 -14.741 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -5.101 8.230 -14.302 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -5.494 7.625 -12.705 1.00 1.00 H new ATOM 636 N ASP A 42 -9.789 9.309 -12.364 1.00 1.00 N ATOM 637 CA ASP A 42 -11.127 9.891 -12.428 1.00 1.00 C ATOM 638 C ASP A 42 -11.347 10.880 -11.288 1.00 1.00 C ATOM 639 O ASP A 42 -12.210 11.753 -11.371 1.00 1.00 O ATOM 640 CB ASP A 42 -12.178 8.782 -12.351 1.00 1.00 C ATOM 641 CG ASP A 42 -12.995 8.749 -13.639 1.00 1.00 C ATOM 642 OD1 ASP A 42 -13.792 9.651 -13.834 1.00 1.00 O ATOM 643 OD2 ASP A 42 -12.808 7.823 -14.411 1.00 1.00 O ATOM 0 H ASP A 42 -9.761 8.345 -12.032 1.00 1.00 H new ATOM 0 HA ASP A 42 -11.222 10.425 -13.374 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.692 7.819 -12.194 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.835 8.951 -11.498 1.00 1.00 H new ATOM 648 N SER A 43 -10.564 10.732 -10.224 1.00 1.00 N ATOM 649 CA SER A 43 -10.677 11.613 -9.065 1.00 1.00 C ATOM 650 C SER A 43 -11.814 11.164 -8.153 1.00 1.00 C ATOM 651 O SER A 43 -12.564 11.988 -7.628 1.00 1.00 O ATOM 652 CB SER A 43 -10.917 13.055 -9.515 1.00 1.00 C ATOM 653 OG SER A 43 -10.340 13.250 -10.800 1.00 1.00 O ATOM 0 H SER A 43 -9.846 10.013 -10.140 1.00 1.00 H new ATOM 0 HA SER A 43 -9.741 11.562 -8.509 1.00 1.00 H new ATOM 0 HB2 SER A 43 -11.986 13.264 -9.549 1.00 1.00 H new ATOM 0 HB3 SER A 43 -10.479 13.749 -8.798 1.00 1.00 H new ATOM 0 HG SER A 43 -11.035 13.170 -11.486 1.00 1.00 H new ATOM 659 N GLN A 44 -11.927 9.854 -7.964 1.00 1.00 N ATOM 660 CA GLN A 44 -12.965 9.289 -7.106 1.00 1.00 C ATOM 661 C GLN A 44 -12.323 8.452 -6.008 1.00 1.00 C ATOM 662 O GLN A 44 -12.946 7.547 -5.451 1.00 1.00 O ATOM 663 CB GLN A 44 -13.913 8.418 -7.930 1.00 1.00 C ATOM 664 CG GLN A 44 -14.663 9.290 -8.937 1.00 1.00 C ATOM 665 CD GLN A 44 -15.996 9.736 -8.348 1.00 1.00 C ATOM 666 OE1 GLN A 44 -16.245 10.934 -8.208 1.00 1.00 O ATOM 667 NE2 GLN A 44 -16.874 8.839 -7.991 1.00 1.00 N ATOM 0 H GLN A 44 -11.313 9.162 -8.393 1.00 1.00 H new ATOM 0 HA GLN A 44 -13.534 10.103 -6.656 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -13.351 7.643 -8.452 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.621 7.911 -7.274 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -14.061 10.161 -9.196 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -14.831 8.733 -9.859 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -16.666 7.847 -8.108 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -17.768 9.130 -7.595 1.00 1.00 H new ATOM 676 N PHE A 45 -11.066 8.760 -5.716 1.00 1.00 N ATOM 677 CA PHE A 45 -10.318 8.039 -4.697 1.00 1.00 C ATOM 678 C PHE A 45 -10.911 8.220 -3.308 1.00 1.00 C ATOM 679 O PHE A 45 -11.161 7.231 -2.621 1.00 1.00 O ATOM 680 CB PHE A 45 -8.858 8.494 -4.698 1.00 1.00 C ATOM 681 CG PHE A 45 -7.962 7.316 -5.002 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.165 6.568 -6.168 1.00 1.00 C ATOM 683 CD2 PHE A 45 -6.931 6.972 -4.120 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.335 5.475 -6.451 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.103 5.878 -4.402 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.305 5.131 -5.568 1.00 1.00 C ATOM 0 H PHE A 45 -10.543 9.507 -6.173 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.377 6.979 -4.944 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.711 9.277 -5.441 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.599 8.921 -3.729 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.961 6.833 -6.849 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -6.774 7.550 -3.222 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.490 4.898 -7.351 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -5.309 5.611 -3.720 1.00 1.00 H new ATOM 0 HZ PHE A 45 -5.666 4.288 -5.787 1.00 1.00 H new ATOM 696 N PRO A 46 -11.137 9.425 -2.851 1.00 1.00 N ATOM 697 CA PRO A 46 -11.702 9.607 -1.496 1.00 1.00 C ATOM 698 C PRO A 46 -13.095 8.998 -1.404 1.00 1.00 C ATOM 699 O PRO A 46 -14.032 9.451 -2.058 1.00 1.00 O ATOM 700 CB PRO A 46 -11.741 11.126 -1.290 1.00 1.00 C ATOM 701 CG PRO A 46 -11.564 11.742 -2.641 1.00 1.00 C ATOM 702 CD PRO A 46 -10.890 10.704 -3.538 1.00 1.00 C ATOM 0 HA PRO A 46 -11.108 9.110 -0.729 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -12.687 11.433 -0.845 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -10.951 11.446 -0.611 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -12.527 12.039 -3.056 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -10.955 12.643 -2.574 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.316 10.707 -4.541 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -9.823 10.901 -3.644 1.00 1.00 H new ATOM 710 N ILE A 47 -13.206 7.970 -0.574 1.00 1.00 N ATOM 711 CA ILE A 47 -14.470 7.268 -0.367 1.00 1.00 C ATOM 712 C ILE A 47 -14.347 6.336 0.834 1.00 1.00 C ATOM 713 O ILE A 47 -13.287 6.249 1.455 1.00 1.00 O ATOM 714 CB ILE A 47 -14.846 6.432 -1.610 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.588 5.756 -2.167 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.466 7.307 -2.711 1.00 1.00 C ATOM 717 CD1 ILE A 47 -13.906 4.310 -2.554 1.00 1.00 C ATOM 0 H ILE A 47 -12.429 7.599 -0.027 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.248 8.011 -0.191 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.581 5.687 -1.304 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.224 6.303 -3.037 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -12.793 5.776 -1.422 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.718 6.686 -3.570 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.369 7.785 -2.331 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.751 8.072 -3.014 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -13.009 3.833 -2.949 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.249 3.765 -1.675 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -14.687 4.300 -3.314 1.00 1.00 H new ATOM 729 N ASN A 48 -15.430 5.640 1.152 1.00 1.00 N ATOM 730 CA ASN A 48 -15.424 4.715 2.279 1.00 1.00 C ATOM 731 C ASN A 48 -14.329 3.668 2.105 1.00 1.00 C ATOM 732 O ASN A 48 -14.549 2.627 1.486 1.00 1.00 O ATOM 733 CB ASN A 48 -16.779 4.018 2.387 1.00 1.00 C ATOM 734 CG ASN A 48 -17.607 4.644 3.500 1.00 1.00 C ATOM 735 OD1 ASN A 48 -17.508 5.846 3.752 1.00 1.00 O ATOM 736 ND2 ASN A 48 -18.428 3.898 4.188 1.00 1.00 N ATOM 0 H ASN A 48 -16.317 5.696 0.651 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.231 5.282 3.190 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -17.312 4.096 1.440 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -16.635 2.956 2.585 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -18.988 4.310 4.934 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -18.510 2.903 3.979 1.00 1.00 H new ATOM 743 N ILE A 49 -13.152 3.947 2.654 1.00 1.00 N ATOM 744 CA ILE A 49 -12.034 3.017 2.550 1.00 1.00 C ATOM 745 C ILE A 49 -12.403 1.676 3.161 1.00 1.00 C ATOM 746 O ILE A 49 -11.665 0.702 3.044 1.00 1.00 O ATOM 747 CB ILE A 49 -10.816 3.582 3.272 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.341 4.849 2.556 1.00 1.00 C ATOM 749 CG2 ILE A 49 -9.695 2.540 3.276 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.316 5.580 3.425 1.00 1.00 C ATOM 0 H ILE A 49 -12.948 4.802 3.171 1.00 1.00 H new ATOM 0 HA ILE A 49 -11.799 2.877 1.495 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.083 3.827 4.300 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -9.898 4.590 1.594 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.189 5.502 2.351 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -8.824 2.944 3.792 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.036 1.641 3.789 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -9.425 2.292 2.249 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -8.980 6.481 2.912 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -9.774 5.853 4.376 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.462 4.927 3.608 1.00 1.00 H new ATOM 762 N VAL A 50 -13.548 1.649 3.812 1.00 1.00 N ATOM 763 CA VAL A 50 -14.025 0.429 4.445 1.00 1.00 C ATOM 764 C VAL A 50 -14.945 -0.331 3.497 1.00 1.00 C ATOM 765 O VAL A 50 -14.816 -1.542 3.326 1.00 1.00 O ATOM 766 CB VAL A 50 -14.759 0.767 5.747 1.00 1.00 C ATOM 767 CG1 VAL A 50 -15.445 2.127 5.615 1.00 1.00 C ATOM 768 CG2 VAL A 50 -15.806 -0.310 6.051 1.00 1.00 C ATOM 0 H VAL A 50 -14.166 2.453 3.918 1.00 1.00 H new ATOM 0 HA VAL A 50 -13.170 -0.206 4.680 1.00 1.00 H new ATOM 0 HB VAL A 50 -14.037 0.804 6.563 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -15.966 2.363 6.543 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -14.697 2.894 5.413 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -16.162 2.095 4.795 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -16.324 -0.063 6.978 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -16.527 -0.358 5.235 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -15.313 -1.277 6.157 1.00 1.00 H new ATOM 778 N ALA A 51 -15.884 0.389 2.901 1.00 1.00 N ATOM 779 CA ALA A 51 -16.842 -0.224 1.988 1.00 1.00 C ATOM 780 C ALA A 51 -16.138 -0.937 0.839 1.00 1.00 C ATOM 781 O ALA A 51 -16.620 -1.957 0.345 1.00 1.00 O ATOM 782 CB ALA A 51 -17.782 0.843 1.429 1.00 1.00 C ATOM 0 H ALA A 51 -16.004 1.393 3.031 1.00 1.00 H new ATOM 0 HA ALA A 51 -17.414 -0.963 2.549 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.495 0.379 0.748 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -18.320 1.319 2.249 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -17.202 1.593 0.891 1.00 1.00 H new ATOM 788 N VAL A 52 -15.002 -0.399 0.411 1.00 1.00 N ATOM 789 CA VAL A 52 -14.257 -1.004 -0.688 1.00 1.00 C ATOM 790 C VAL A 52 -13.755 -2.395 -0.307 1.00 1.00 C ATOM 791 O VAL A 52 -14.005 -3.371 -1.016 1.00 1.00 O ATOM 792 CB VAL A 52 -13.071 -0.122 -1.084 1.00 1.00 C ATOM 793 CG1 VAL A 52 -13.584 1.214 -1.616 1.00 1.00 C ATOM 794 CG2 VAL A 52 -12.170 0.131 0.129 1.00 1.00 C ATOM 0 H VAL A 52 -14.580 0.444 0.802 1.00 1.00 H new ATOM 0 HA VAL A 52 -14.934 -1.096 -1.537 1.00 1.00 H new ATOM 0 HB VAL A 52 -12.496 -0.632 -1.856 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -12.739 1.842 -1.898 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -14.214 1.040 -2.488 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -14.166 1.715 -0.842 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -11.330 0.760 -0.166 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -12.742 0.633 0.909 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -11.796 -0.820 0.509 1.00 1.00 H new ATOM 804 N LYS A 53 -13.039 -2.474 0.807 1.00 1.00 N ATOM 805 CA LYS A 53 -12.497 -3.747 1.267 1.00 1.00 C ATOM 806 C LYS A 53 -13.533 -4.857 1.116 1.00 1.00 C ATOM 807 O LYS A 53 -13.189 -6.005 0.840 1.00 1.00 O ATOM 808 CB LYS A 53 -12.062 -3.640 2.732 1.00 1.00 C ATOM 809 CG LYS A 53 -11.126 -2.443 2.902 1.00 1.00 C ATOM 810 CD LYS A 53 -10.743 -2.289 4.375 1.00 1.00 C ATOM 811 CE LYS A 53 -9.940 -0.999 4.567 1.00 1.00 C ATOM 812 NZ LYS A 53 -9.363 -0.570 3.261 1.00 1.00 N ATOM 0 H LYS A 53 -12.821 -1.678 1.406 1.00 1.00 H new ATOM 0 HA LYS A 53 -11.629 -3.991 0.654 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -12.935 -3.526 3.374 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -11.558 -4.556 3.040 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -10.230 -2.581 2.297 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.614 -1.535 2.547 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -11.640 -2.266 4.994 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -10.154 -3.147 4.699 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -10.583 -0.215 4.967 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -9.143 -1.159 5.293 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -8.749 0.257 3.407 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -8.805 -1.348 2.856 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -10.132 -0.319 2.607 1.00 1.00 H new ATOM 969 N LEU A 63 -3.815 -8.274 1.746 1.00 1.00 N ATOM 970 CA LEU A 63 -3.795 -7.224 0.736 1.00 1.00 C ATOM 971 C LEU A 63 -4.822 -6.148 1.073 1.00 1.00 C ATOM 972 O LEU A 63 -4.825 -5.071 0.478 1.00 1.00 O ATOM 973 CB LEU A 63 -4.108 -7.820 -0.640 1.00 1.00 C ATOM 974 CG LEU A 63 -2.818 -8.352 -1.282 1.00 1.00 C ATOM 975 CD1 LEU A 63 -3.162 -9.172 -2.529 1.00 1.00 C ATOM 976 CD2 LEU A 63 -1.902 -7.186 -1.687 1.00 1.00 C ATOM 0 HA LEU A 63 -2.802 -6.774 0.718 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -4.835 -8.626 -0.541 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -4.558 -7.062 -1.281 1.00 1.00 H new ATOM 0 HG LEU A 63 -2.302 -8.979 -0.555 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -2.245 -9.548 -2.982 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -3.798 -10.011 -2.248 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -3.688 -8.541 -3.245 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -0.992 -7.579 -2.140 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.419 -6.549 -2.405 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.644 -6.602 -0.803 1.00 1.00 H new ATOM 988 N VAL A 64 -5.691 -6.448 2.035 1.00 1.00 N ATOM 989 CA VAL A 64 -6.719 -5.499 2.447 1.00 1.00 C ATOM 990 C VAL A 64 -6.121 -4.429 3.352 1.00 1.00 C ATOM 991 O VAL A 64 -6.508 -3.260 3.286 1.00 1.00 O ATOM 992 CB VAL A 64 -7.840 -6.230 3.187 1.00 1.00 C ATOM 993 CG1 VAL A 64 -8.792 -5.207 3.810 1.00 1.00 C ATOM 994 CG2 VAL A 64 -8.613 -7.109 2.203 1.00 1.00 C ATOM 0 H VAL A 64 -5.704 -7.334 2.540 1.00 1.00 H new ATOM 0 HA VAL A 64 -7.127 -5.021 1.556 1.00 1.00 H new ATOM 0 HB VAL A 64 -7.410 -6.853 3.971 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -9.591 -5.728 4.338 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -8.243 -4.579 4.512 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -9.221 -4.584 3.025 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -9.412 -7.630 2.731 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -9.042 -6.486 1.418 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.936 -7.838 1.758 1.00 1.00 H new ATOM 1004 N GLU A 65 -5.171 -4.831 4.187 1.00 1.00 N ATOM 1005 CA GLU A 65 -4.517 -3.890 5.087 1.00 1.00 C ATOM 1006 C GLU A 65 -3.845 -2.773 4.291 1.00 1.00 C ATOM 1007 O GLU A 65 -4.234 -1.610 4.401 1.00 1.00 O ATOM 1008 CB GLU A 65 -3.484 -4.612 5.955 1.00 1.00 C ATOM 1009 CG GLU A 65 -4.068 -4.863 7.345 1.00 1.00 C ATOM 1010 CD GLU A 65 -3.099 -5.702 8.170 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -2.842 -6.829 7.777 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -2.620 -5.206 9.176 1.00 1.00 O ATOM 0 H GLU A 65 -4.839 -5.793 4.260 1.00 1.00 H new ATOM 0 HA GLU A 65 -5.274 -3.451 5.737 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -3.202 -5.558 5.492 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -2.577 -4.012 6.033 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -4.259 -3.914 7.846 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -5.026 -5.376 7.260 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.857 -3.094 3.484 1.00 1.00 N ATOM 1020 CA PRO A 66 -2.148 -2.077 2.654 1.00 1.00 C ATOM 1021 C PRO A 66 -3.116 -1.314 1.753 1.00 1.00 C ATOM 1022 O PRO A 66 -2.956 -0.116 1.524 1.00 1.00 O ATOM 1023 CB PRO A 66 -1.149 -2.890 1.820 1.00 1.00 C ATOM 1024 CG PRO A 66 -1.584 -4.313 1.936 1.00 1.00 C ATOM 1025 CD PRO A 66 -2.306 -4.440 3.270 1.00 1.00 C ATOM 0 HA PRO A 66 -1.661 -1.320 3.268 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -1.152 -2.564 0.780 1.00 1.00 H new ATOM 0 HB3 PRO A 66 -0.133 -2.760 2.192 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -2.243 -4.585 1.111 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.727 -4.985 1.894 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -3.091 -5.195 3.232 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -1.625 -4.728 4.071 1.00 1.00 H new ATOM 1033 N LEU A 67 -4.128 -2.017 1.251 1.00 1.00 N ATOM 1034 CA LEU A 67 -5.120 -1.391 0.387 1.00 1.00 C ATOM 1035 C LEU A 67 -5.699 -0.161 1.078 1.00 1.00 C ATOM 1036 O LEU A 67 -6.002 0.843 0.435 1.00 1.00 O ATOM 1037 CB LEU A 67 -6.238 -2.396 0.064 1.00 1.00 C ATOM 1038 CG LEU A 67 -7.372 -1.717 -0.712 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.812 -1.036 -1.961 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.395 -2.774 -1.133 1.00 1.00 C ATOM 0 H LEU A 67 -4.281 -3.010 1.426 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.646 -1.083 -0.545 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.833 -3.221 -0.522 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.628 -2.823 0.988 1.00 1.00 H new ATOM 0 HG LEU A 67 -7.847 -0.970 -0.076 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -7.623 -0.555 -2.508 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -6.077 -0.286 -1.668 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -6.336 -1.781 -2.599 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -9.205 -2.297 -1.686 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -7.911 -3.517 -1.767 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.799 -3.262 -0.246 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.855 -0.252 2.394 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.404 0.852 3.170 1.00 1.00 C ATOM 1054 C CYS A 68 -5.359 1.943 3.397 1.00 1.00 C ATOM 1055 O CYS A 68 -5.705 3.088 3.687 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.901 0.338 4.522 1.00 1.00 C ATOM 1057 SG CYS A 68 -5.736 0.828 5.820 1.00 1.00 S ATOM 0 H CYS A 68 -5.610 -1.076 2.943 1.00 1.00 H new ATOM 0 HA CYS A 68 -7.233 1.280 2.607 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.891 0.742 4.735 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -6.999 -0.747 4.497 1.00 1.00 H new ATOM 0 HG CYS A 68 -4.687 0.061 5.774 1.00 1.00 H new ATOM 1063 N ARG A 69 -4.083 1.591 3.265 1.00 1.00 N ATOM 1064 CA ARG A 69 -3.014 2.565 3.464 1.00 1.00 C ATOM 1065 C ARG A 69 -2.873 3.464 2.241 1.00 1.00 C ATOM 1066 O ARG A 69 -3.002 4.685 2.340 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.685 1.854 3.727 1.00 1.00 C ATOM 1068 CG ARG A 69 -1.564 1.533 5.218 1.00 1.00 C ATOM 1069 CD ARG A 69 -0.381 0.589 5.440 1.00 1.00 C ATOM 1070 NE ARG A 69 0.557 0.683 4.329 1.00 1.00 N ATOM 1071 CZ ARG A 69 1.363 -0.327 4.020 1.00 1.00 C ATOM 1072 NH1 ARG A 69 1.328 -1.428 4.721 1.00 1.00 N ATOM 1073 NH2 ARG A 69 2.190 -0.220 3.016 1.00 1.00 N ATOM 0 H ARG A 69 -3.767 0.652 3.024 1.00 1.00 H new ATOM 0 HA ARG A 69 -3.272 3.176 4.329 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.629 0.937 3.141 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -0.854 2.485 3.411 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -1.423 2.451 5.789 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -2.484 1.072 5.578 1.00 1.00 H new ATOM 0 HD2 ARG A 69 0.124 0.841 6.373 1.00 1.00 H new ATOM 0 HD3 ARG A 69 -0.738 -0.436 5.537 1.00 1.00 H new ATOM 0 HE ARG A 69 0.596 1.541 3.778 1.00 1.00 H new ATOM 0 HH11 ARG A 69 0.682 -1.513 5.506 1.00 1.00 H new ATOM 0 HH12 ARG A 69 1.947 -2.203 4.484 1.00 1.00 H new ATOM 0 HH21 ARG A 69 2.218 0.640 2.468 1.00 1.00 H new ATOM 0 HH22 ARG A 69 2.808 -0.996 2.780 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.613 2.856 1.089 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.464 3.624 -0.142 1.00 1.00 C ATOM 1089 C ARG A 70 -3.656 4.555 -0.318 1.00 1.00 C ATOM 1090 O ARG A 70 -3.500 5.775 -0.365 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.358 2.685 -1.351 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.309 1.594 -1.096 1.00 1.00 C ATOM 1093 CD ARG A 70 -0.029 2.202 -0.513 1.00 1.00 C ATOM 1094 NE ARG A 70 1.077 1.261 -0.638 1.00 1.00 N ATOM 1095 CZ ARG A 70 2.262 1.516 -0.092 1.00 1.00 C ATOM 1096 NH1 ARG A 70 2.449 2.621 0.576 1.00 1.00 N ATOM 1097 NH2 ARG A 70 3.239 0.660 -0.224 1.00 1.00 N ATOM 0 H ARG A 70 -2.502 1.848 0.981 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.550 4.214 -0.075 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.327 2.227 -1.549 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.088 3.256 -2.239 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.710 0.850 -0.408 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -1.081 1.077 -2.028 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.212 3.129 -1.033 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.183 2.456 0.536 1.00 1.00 H new ATOM 0 HE ARG A 70 0.939 0.392 -1.153 1.00 1.00 H new ATOM 0 HH11 ARG A 70 1.686 3.290 0.680 1.00 1.00 H new ATOM 0 HH12 ARG A 70 3.358 2.816 0.995 1.00 1.00 H new ATOM 0 HH21 ARG A 70 3.093 -0.204 -0.746 1.00 1.00 H new ATOM 0 HH22 ARG A 70 4.148 0.855 0.195 1.00 1.00 H new ATOM 1111 N LEU A 71 -4.848 3.979 -0.410 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.050 4.782 -0.572 1.00 1.00 C ATOM 1113 C LEU A 71 -6.087 5.881 0.481 1.00 1.00 C ATOM 1114 O LEU A 71 -6.337 7.044 0.166 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.294 3.900 -0.457 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.244 2.803 -1.526 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.441 1.867 -1.355 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -7.284 3.427 -2.923 1.00 1.00 C ATOM 0 H LEU A 71 -5.006 2.972 -0.376 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.037 5.240 -1.561 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.345 3.453 0.536 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.193 4.503 -0.582 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.318 2.240 -1.412 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.405 1.087 -2.116 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -8.408 1.411 -0.366 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.365 2.435 -1.462 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -7.248 2.639 -3.675 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -8.205 3.998 -3.040 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -6.428 4.089 -3.050 1.00 1.00 H new ATOM 1130 N ASN A 72 -5.824 5.511 1.731 1.00 1.00 N ATOM 1131 CA ASN A 72 -5.818 6.484 2.815 1.00 1.00 C ATOM 1132 C ASN A 72 -4.799 7.581 2.528 1.00 1.00 C ATOM 1133 O ASN A 72 -4.989 8.737 2.909 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.468 5.803 4.139 1.00 1.00 C ATOM 1135 CG ASN A 72 -5.121 6.857 5.185 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -5.734 7.923 5.217 1.00 1.00 O ATOM 1137 ND2 ASN A 72 -4.163 6.626 6.041 1.00 1.00 N ATOM 0 H ASN A 72 -5.614 4.554 2.015 1.00 1.00 H new ATOM 0 HA ASN A 72 -6.813 6.923 2.889 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.309 5.200 4.482 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.626 5.125 3.999 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -3.921 7.330 6.738 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -3.656 5.741 6.013 1.00 1.00 H new ATOM 1144 N THR A 73 -3.717 7.207 1.854 1.00 1.00 N ATOM 1145 CA THR A 73 -2.668 8.164 1.520 1.00 1.00 C ATOM 1146 C THR A 73 -3.152 9.138 0.452 1.00 1.00 C ATOM 1147 O THR A 73 -3.208 10.346 0.680 1.00 1.00 O ATOM 1148 CB THR A 73 -1.427 7.422 1.014 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.184 6.291 1.839 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.216 8.354 1.053 1.00 1.00 C ATOM 0 H THR A 73 -3.544 6.255 1.530 1.00 1.00 H new ATOM 0 HA THR A 73 -2.414 8.726 2.419 1.00 1.00 H new ATOM 0 HB THR A 73 -1.595 7.095 -0.012 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.819 5.579 1.614 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.664 7.822 0.692 1.00 1.00 H new ATOM 0 HG22 THR A 73 -0.403 9.220 0.418 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.045 8.686 2.077 1.00 1.00 H new ATOM 1158 N LEU A 74 -3.500 8.608 -0.717 1.00 1.00 N ATOM 1159 CA LEU A 74 -3.974 9.448 -1.809 1.00 1.00 C ATOM 1160 C LEU A 74 -5.252 10.177 -1.407 1.00 1.00 C ATOM 1161 O LEU A 74 -5.377 11.384 -1.610 1.00 1.00 O ATOM 1162 CB LEU A 74 -4.236 8.598 -3.055 1.00 1.00 C ATOM 1163 CG LEU A 74 -2.979 8.544 -3.928 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -3.181 7.517 -5.043 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -2.706 9.918 -4.554 1.00 1.00 C ATOM 0 H LEU A 74 -3.463 7.611 -0.930 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.203 10.185 -2.034 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -4.529 7.590 -2.762 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -5.066 9.018 -3.624 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.130 8.260 -3.307 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -2.288 7.476 -5.666 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -3.363 6.536 -4.605 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -4.036 7.806 -5.653 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -1.810 9.865 -5.172 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -3.555 10.212 -5.171 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -2.559 10.655 -3.764 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.201 9.441 -0.834 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.458 10.044 -0.410 1.00 1.00 C ATOM 1179 C ASN A 75 -7.189 11.341 0.342 1.00 1.00 C ATOM 1180 O ASN A 75 -8.061 12.202 0.454 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.228 9.082 0.497 1.00 1.00 C ATOM 1182 CG ASN A 75 -8.761 7.908 -0.311 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -9.021 8.040 -1.508 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -8.947 6.758 0.277 1.00 1.00 N ATOM 0 H ASN A 75 -6.124 8.440 -0.655 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.055 10.257 -1.297 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.576 8.719 1.291 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.054 9.607 0.977 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -9.308 5.966 -0.255 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -8.731 6.651 1.268 1.00 1.00 H new ATOM 1191 N LYS A 76 -5.970 11.469 0.858 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.582 12.660 1.603 1.00 1.00 C ATOM 1193 C LYS A 76 -4.929 13.679 0.675 1.00 1.00 C ATOM 1194 O LYS A 76 -4.978 14.884 0.927 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.604 12.276 2.714 1.00 1.00 C ATOM 1196 CG LYS A 76 -5.084 12.864 4.044 1.00 1.00 C ATOM 1197 CD LYS A 76 -4.094 12.501 5.155 1.00 1.00 C ATOM 1198 CE LYS A 76 -4.040 10.981 5.333 1.00 1.00 C ATOM 1199 NZ LYS A 76 -2.985 10.415 4.443 1.00 1.00 N ATOM 0 H LYS A 76 -5.237 10.765 0.774 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.475 13.106 2.041 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -4.531 11.191 2.789 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -3.606 12.647 2.479 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -5.173 13.947 3.963 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -6.075 12.480 4.286 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -3.103 12.882 4.909 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -4.394 12.974 6.090 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -3.826 10.733 6.373 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -5.008 10.541 5.093 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -3.416 9.740 3.779 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -2.532 11.184 3.909 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -2.271 9.926 5.019 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.317 13.188 -0.397 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.656 14.062 -1.357 1.00 1.00 C ATOM 1215 C CYS A 77 -4.588 14.385 -2.520 1.00 1.00 C ATOM 1216 O CYS A 77 -4.312 15.280 -3.318 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.388 13.389 -1.887 1.00 1.00 C ATOM 1218 SG CYS A 77 -1.631 14.442 -3.151 1.00 1.00 S ATOM 0 H CYS A 77 -4.265 12.194 -0.622 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.391 14.991 -0.852 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -1.685 13.219 -1.071 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -2.630 12.413 -2.308 1.00 1.00 H new ATOM 0 HG CYS A 77 -2.552 15.152 -3.733 1.00 1.00 H new ATOM 1224 N ALA A 78 -5.692 13.650 -2.610 1.00 1.00 N ATOM 1225 CA ALA A 78 -6.658 13.868 -3.679 1.00 1.00 C ATOM 1226 C ALA A 78 -7.679 14.923 -3.270 1.00 1.00 C ATOM 1227 O ALA A 78 -8.323 15.539 -4.120 1.00 1.00 O ATOM 1228 CB ALA A 78 -7.379 12.559 -4.009 1.00 1.00 C ATOM 0 H ALA A 78 -5.938 12.903 -1.960 1.00 1.00 H new ATOM 0 HA ALA A 78 -6.122 14.219 -4.561 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.099 12.732 -4.809 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -6.651 11.814 -4.330 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -7.901 12.198 -3.123 1.00 1.00 H new