USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=12 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+ -156:sc= -0.28 (180deg=-1.67!) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.905 USER MOD Single : A 35 GLN :FLIP amide:sc= -12.1! C(o=-18!,f=-12!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.49 USER MOD Single : A 38 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.21) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 100:sc= -0.442! USER MOD Single : A 44 GLN : amide:sc= -1.35 K(o=-1.4,f=-4.8!) USER MOD Single : A 48 ASN :FLIP amide:sc= -3.52 F(o=-6.7!,f=-3.5) USER MOD Single : A 53 LYS NZ :NH3+ 140:sc= -4.07! (180deg=-7.66!) USER MOD Single : A 68 CYS SG : rot 7:sc= 0.877 USER MOD Single : A 72 ASN : amide:sc= -1.95 X(o=-1.9,f=-1.7) USER MOD Single : A 73 THR OG1 : rot 77:sc= 0.707 USER MOD Single : A 75 ASN : amide:sc= -6.73! C(o=-6.7!,f=-13!) USER MOD Single : A 76 LYS NZ :NH3+ 159:sc= -0.0103 (180deg=-0.13) USER MOD Single : A 77 CYS SG : rot -25:sc= 0.665 USER MOD ----------------------------------------------------------------- ATOM 293 N GLU A 20 4.443 8.734 -2.599 1.00 1.00 N ATOM 294 CA GLU A 20 3.416 7.904 -1.991 1.00 1.00 C ATOM 295 C GLU A 20 2.197 7.813 -2.903 1.00 1.00 C ATOM 296 O GLU A 20 1.647 6.736 -3.115 1.00 1.00 O ATOM 297 CB GLU A 20 3.007 8.497 -0.644 1.00 1.00 C ATOM 298 CG GLU A 20 3.369 7.524 0.478 1.00 1.00 C ATOM 299 CD GLU A 20 2.517 6.263 0.368 1.00 1.00 C ATOM 300 OE1 GLU A 20 1.711 6.193 -0.544 1.00 1.00 O ATOM 301 OE2 GLU A 20 2.686 5.383 1.198 1.00 1.00 O ATOM 0 HA GLU A 20 3.818 6.902 -1.841 1.00 1.00 H new ATOM 0 HB2 GLU A 20 3.510 9.451 -0.488 1.00 1.00 H new ATOM 0 HB3 GLU A 20 1.935 8.697 -0.634 1.00 1.00 H new ATOM 0 HG2 GLU A 20 4.426 7.265 0.419 1.00 1.00 H new ATOM 0 HG3 GLU A 20 3.210 7.997 1.447 1.00 1.00 H new ATOM 308 N ALA A 21 1.778 8.956 -3.433 1.00 1.00 N ATOM 309 CA ALA A 21 0.621 8.994 -4.319 1.00 1.00 C ATOM 310 C ALA A 21 0.816 8.050 -5.501 1.00 1.00 C ATOM 311 O ALA A 21 0.005 7.151 -5.730 1.00 1.00 O ATOM 312 CB ALA A 21 0.400 10.414 -4.839 1.00 1.00 C ATOM 0 H ALA A 21 2.218 9.861 -3.267 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.252 8.675 -3.749 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.467 10.429 -5.500 1.00 1.00 H new ATOM 0 HB2 ALA A 21 0.227 11.086 -3.999 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.282 10.741 -5.390 1.00 1.00 H new ATOM 318 N LYS A 22 1.891 8.264 -6.251 1.00 1.00 N ATOM 319 CA LYS A 22 2.176 7.428 -7.411 1.00 1.00 C ATOM 320 C LYS A 22 2.333 5.969 -7.001 1.00 1.00 C ATOM 321 O LYS A 22 1.840 5.071 -7.678 1.00 1.00 O ATOM 322 CB LYS A 22 3.454 7.907 -8.103 1.00 1.00 C ATOM 323 CG LYS A 22 3.509 7.335 -9.524 1.00 1.00 C ATOM 324 CD LYS A 22 2.725 8.238 -10.483 1.00 1.00 C ATOM 325 CE LYS A 22 2.018 7.375 -11.530 1.00 1.00 C ATOM 326 NZ LYS A 22 2.910 6.252 -11.935 1.00 1.00 N ATOM 0 H LYS A 22 2.574 9.002 -6.079 1.00 1.00 H new ATOM 0 HA LYS A 22 1.337 7.508 -8.103 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.476 8.996 -8.137 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.329 7.588 -7.537 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.545 7.254 -9.853 1.00 1.00 H new ATOM 0 HG3 LYS A 22 3.091 6.328 -9.536 1.00 1.00 H new ATOM 0 HD2 LYS A 22 1.995 8.828 -9.929 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.400 8.941 -10.971 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.085 6.984 -11.124 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.759 7.979 -12.400 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 2.642 5.920 -12.884 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 3.897 6.580 -11.949 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 2.815 5.471 -11.255 1.00 1.00 H new ATOM 340 N GLU A 23 3.017 5.740 -5.885 1.00 1.00 N ATOM 341 CA GLU A 23 3.221 4.383 -5.405 1.00 1.00 C ATOM 342 C GLU A 23 1.875 3.769 -5.068 1.00 1.00 C ATOM 343 O GLU A 23 1.541 2.680 -5.525 1.00 1.00 O ATOM 344 CB GLU A 23 4.116 4.385 -4.165 1.00 1.00 C ATOM 345 CG GLU A 23 5.560 4.675 -4.580 1.00 1.00 C ATOM 346 CD GLU A 23 6.236 3.396 -5.058 1.00 1.00 C ATOM 347 OE1 GLU A 23 5.527 2.452 -5.371 1.00 1.00 O ATOM 348 OE2 GLU A 23 7.456 3.379 -5.115 1.00 1.00 O ATOM 0 H GLU A 23 3.434 6.468 -5.304 1.00 1.00 H new ATOM 0 HA GLU A 23 3.710 3.796 -6.183 1.00 1.00 H new ATOM 0 HB2 GLU A 23 3.772 5.138 -3.456 1.00 1.00 H new ATOM 0 HB3 GLU A 23 4.058 3.421 -3.660 1.00 1.00 H new ATOM 0 HG2 GLU A 23 5.575 5.422 -5.374 1.00 1.00 H new ATOM 0 HG3 GLU A 23 6.111 5.094 -3.738 1.00 1.00 H new ATOM 355 N ALA A 24 1.112 4.487 -4.263 1.00 1.00 N ATOM 356 CA ALA A 24 -0.203 4.031 -3.854 1.00 1.00 C ATOM 357 C ALA A 24 -0.986 3.478 -5.041 1.00 1.00 C ATOM 358 O ALA A 24 -1.554 2.389 -4.967 1.00 1.00 O ATOM 359 CB ALA A 24 -0.972 5.198 -3.233 1.00 1.00 C ATOM 0 H ALA A 24 1.383 5.392 -3.879 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.081 3.232 -3.123 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -1.961 4.859 -2.924 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.429 5.571 -2.365 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -1.075 5.997 -3.967 1.00 1.00 H new ATOM 365 N CYS A 25 -1.022 4.239 -6.130 1.00 1.00 N ATOM 366 CA CYS A 25 -1.753 3.816 -7.324 1.00 1.00 C ATOM 367 C CYS A 25 -0.949 2.802 -8.137 1.00 1.00 C ATOM 368 O CYS A 25 -1.493 1.802 -8.607 1.00 1.00 O ATOM 369 CB CYS A 25 -2.068 5.031 -8.196 1.00 1.00 C ATOM 370 SG CYS A 25 -1.266 4.844 -9.808 1.00 1.00 S ATOM 0 H CYS A 25 -0.559 5.144 -6.213 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.679 3.341 -7.001 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -3.146 5.130 -8.324 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.720 5.942 -7.708 1.00 1.00 H new ATOM 0 HG CYS A 25 -1.536 5.877 -10.550 1.00 1.00 H new ATOM 376 N ASP A 26 0.344 3.067 -8.303 1.00 1.00 N ATOM 377 CA ASP A 26 1.205 2.168 -9.068 1.00 1.00 C ATOM 378 C ASP A 26 1.387 0.843 -8.334 1.00 1.00 C ATOM 379 O ASP A 26 1.765 -0.164 -8.934 1.00 1.00 O ATOM 380 CB ASP A 26 2.568 2.823 -9.297 1.00 1.00 C ATOM 381 CG ASP A 26 3.328 2.090 -10.399 1.00 1.00 C ATOM 382 OD1 ASP A 26 3.108 0.900 -10.557 1.00 1.00 O ATOM 383 OD2 ASP A 26 4.123 2.730 -11.067 1.00 1.00 O ATOM 0 H ASP A 26 0.815 3.888 -7.923 1.00 1.00 H new ATOM 0 HA ASP A 26 0.731 1.971 -10.030 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.435 3.869 -9.571 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.147 2.807 -8.374 1.00 1.00 H new ATOM 388 N TRP A 27 1.110 0.849 -7.037 1.00 1.00 N ATOM 389 CA TRP A 27 1.242 -0.358 -6.232 1.00 1.00 C ATOM 390 C TRP A 27 -0.045 -1.172 -6.295 1.00 1.00 C ATOM 391 O TRP A 27 -0.016 -2.403 -6.319 1.00 1.00 O ATOM 392 CB TRP A 27 1.553 0.009 -4.780 1.00 1.00 C ATOM 393 CG TRP A 27 1.489 -1.219 -3.931 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.528 -2.047 -3.675 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.342 -1.771 -3.221 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.093 -3.071 -2.853 1.00 1.00 N ATOM 397 CE2 TRP A 27 0.751 -2.945 -2.547 1.00 1.00 C ATOM 398 CE3 TRP A 27 -1.002 -1.371 -3.101 1.00 1.00 C ATOM 399 CZ2 TRP A 27 -0.139 -3.696 -1.778 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.900 -2.124 -2.329 1.00 1.00 C ATOM 401 CH2 TRP A 27 -1.470 -3.285 -1.668 1.00 1.00 C ATOM 0 H TRP A 27 0.794 1.671 -6.522 1.00 1.00 H new ATOM 0 HA TRP A 27 2.061 -0.956 -6.630 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.543 0.460 -4.712 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.839 0.750 -4.420 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.533 -1.928 -4.051 1.00 1.00 H new ATOM 0 HE1 TRP A 27 2.689 -3.826 -2.514 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.344 -0.480 -3.606 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.198 -4.588 -1.272 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.929 -1.808 -2.243 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -2.166 -3.860 -1.075 1.00 1.00 H new ATOM 412 N LEU A 28 -1.176 -0.473 -6.330 1.00 1.00 N ATOM 413 CA LEU A 28 -2.471 -1.136 -6.400 1.00 1.00 C ATOM 414 C LEU A 28 -2.484 -2.135 -7.553 1.00 1.00 C ATOM 415 O LEU A 28 -2.627 -3.340 -7.343 1.00 1.00 O ATOM 416 CB LEU A 28 -3.577 -0.098 -6.611 1.00 1.00 C ATOM 417 CG LEU A 28 -4.047 0.436 -5.255 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.680 1.817 -5.434 1.00 1.00 C ATOM 419 CD2 LEU A 28 -5.083 -0.520 -4.654 1.00 1.00 C ATOM 0 H LEU A 28 -1.221 0.546 -6.311 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.646 -1.666 -5.464 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.208 0.721 -7.227 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.414 -0.547 -7.146 1.00 1.00 H new ATOM 0 HG LEU A 28 -3.189 0.512 -4.586 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -5.013 2.193 -4.467 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.945 2.502 -5.856 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.534 1.741 -6.107 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.415 -0.137 -3.689 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -5.937 -0.600 -5.326 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.634 -1.504 -4.519 1.00 1.00 H new ATOM 431 N ARG A 29 -2.331 -1.622 -8.769 1.00 1.00 N ATOM 432 CA ARG A 29 -2.322 -2.474 -9.952 1.00 1.00 C ATOM 433 C ARG A 29 -1.287 -3.584 -9.800 1.00 1.00 C ATOM 434 O ARG A 29 -1.485 -4.700 -10.278 1.00 1.00 O ATOM 435 CB ARG A 29 -2.003 -1.641 -11.194 1.00 1.00 C ATOM 436 CG ARG A 29 -0.752 -0.798 -10.939 1.00 1.00 C ATOM 437 CD ARG A 29 -0.429 0.031 -12.185 1.00 1.00 C ATOM 438 NE ARG A 29 -0.769 1.432 -11.963 1.00 1.00 N ATOM 439 CZ ARG A 29 -1.990 1.896 -12.210 1.00 1.00 C ATOM 440 NH1 ARG A 29 -2.914 1.092 -12.660 1.00 1.00 N ATOM 441 NH2 ARG A 29 -2.265 3.154 -12.000 1.00 1.00 N ATOM 0 H ARG A 29 -2.212 -0.627 -8.961 1.00 1.00 H new ATOM 0 HA ARG A 29 -3.309 -2.924 -10.063 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -1.845 -2.295 -12.052 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -2.846 -0.994 -11.437 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -0.912 -0.141 -10.084 1.00 1.00 H new ATOM 0 HG3 ARG A 29 0.090 -1.444 -10.691 1.00 1.00 H new ATOM 0 HD2 ARG A 29 0.630 -0.059 -12.426 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -0.984 -0.354 -13.040 1.00 1.00 H new ATOM 0 HE ARG A 29 -0.055 2.069 -11.611 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -2.699 0.108 -12.822 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -3.851 1.447 -12.850 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -1.543 3.782 -11.646 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -3.202 3.510 -12.190 1.00 1.00 H new ATOM 455 N ALA A 30 -0.185 -3.270 -9.128 1.00 1.00 N ATOM 456 CA ALA A 30 0.873 -4.249 -8.915 1.00 1.00 C ATOM 457 C ALA A 30 0.479 -5.226 -7.811 1.00 1.00 C ATOM 458 O ALA A 30 1.081 -6.289 -7.665 1.00 1.00 O ATOM 459 CB ALA A 30 2.172 -3.541 -8.532 1.00 1.00 C ATOM 0 H ALA A 30 -0.002 -2.351 -8.724 1.00 1.00 H new ATOM 0 HA ALA A 30 1.023 -4.803 -9.842 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.957 -4.281 -8.375 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.467 -2.864 -9.333 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.020 -2.973 -7.614 1.00 1.00 H new ATOM 465 N ALA A 31 -0.537 -4.855 -7.038 1.00 1.00 N ATOM 466 CA ALA A 31 -1.006 -5.704 -5.950 1.00 1.00 C ATOM 467 C ALA A 31 -2.053 -6.692 -6.454 1.00 1.00 C ATOM 468 O ALA A 31 -2.392 -7.656 -5.766 1.00 1.00 O ATOM 469 CB ALA A 31 -1.609 -4.841 -4.841 1.00 1.00 C ATOM 0 H ALA A 31 -1.048 -3.978 -7.144 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.157 -6.262 -5.557 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -1.958 -5.481 -4.031 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.852 -4.155 -4.461 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.448 -4.271 -5.239 1.00 1.00 H new ATOM 475 N GLY A 32 -2.558 -6.445 -7.660 1.00 1.00 N ATOM 476 CA GLY A 32 -3.565 -7.318 -8.253 1.00 1.00 C ATOM 477 C GLY A 32 -4.928 -6.635 -8.291 1.00 1.00 C ATOM 478 O GLY A 32 -5.959 -7.292 -8.438 1.00 1.00 O ATOM 0 H GLY A 32 -2.288 -5.652 -8.242 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -3.264 -7.592 -9.264 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -3.633 -8.242 -7.679 1.00 1.00 H new ATOM 482 N PHE A 33 -4.925 -5.313 -8.156 1.00 1.00 N ATOM 483 CA PHE A 33 -6.168 -4.549 -8.176 1.00 1.00 C ATOM 484 C PHE A 33 -5.966 -3.215 -8.899 1.00 1.00 C ATOM 485 O PHE A 33 -5.802 -2.174 -8.265 1.00 1.00 O ATOM 486 CB PHE A 33 -6.643 -4.297 -6.743 1.00 1.00 C ATOM 487 CG PHE A 33 -6.320 -5.498 -5.887 1.00 1.00 C ATOM 488 CD1 PHE A 33 -6.993 -6.708 -6.098 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.349 -5.404 -4.883 1.00 1.00 C ATOM 490 CE1 PHE A 33 -6.694 -7.822 -5.305 1.00 1.00 C ATOM 491 CE2 PHE A 33 -5.050 -6.517 -4.090 1.00 1.00 C ATOM 492 CZ PHE A 33 -5.723 -7.728 -4.301 1.00 1.00 C ATOM 0 H PHE A 33 -4.083 -4.751 -8.032 1.00 1.00 H new ATOM 0 HA PHE A 33 -6.923 -5.124 -8.712 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -6.158 -3.408 -6.339 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -7.716 -4.108 -6.732 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -7.742 -6.781 -6.872 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -4.830 -4.471 -4.720 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -7.213 -8.755 -5.468 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -4.301 -6.443 -3.316 1.00 1.00 H new ATOM 0 HZ PHE A 33 -5.493 -8.588 -3.690 1.00 1.00 H new ATOM 502 N PRO A 34 -5.964 -3.228 -10.209 1.00 1.00 N ATOM 503 CA PRO A 34 -5.768 -1.998 -11.021 1.00 1.00 C ATOM 504 C PRO A 34 -7.049 -1.180 -11.174 1.00 1.00 C ATOM 505 O PRO A 34 -7.011 -0.036 -11.626 1.00 1.00 O ATOM 506 CB PRO A 34 -5.298 -2.539 -12.371 1.00 1.00 C ATOM 507 CG PRO A 34 -5.890 -3.908 -12.483 1.00 1.00 C ATOM 508 CD PRO A 34 -6.150 -4.415 -11.061 1.00 1.00 C ATOM 0 HA PRO A 34 -5.062 -1.310 -10.555 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -5.632 -1.899 -13.188 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.210 -2.577 -12.421 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -6.817 -3.879 -13.055 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.211 -4.578 -13.011 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -7.157 -4.821 -10.962 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -5.457 -5.211 -10.790 1.00 1.00 H new ATOM 516 N GLN A 35 -8.178 -1.770 -10.798 1.00 1.00 N ATOM 517 CA GLN A 35 -9.454 -1.071 -10.906 1.00 1.00 C ATOM 518 C GLN A 35 -9.556 0.030 -9.855 1.00 1.00 C ATOM 519 O GLN A 35 -10.509 0.808 -9.852 1.00 1.00 O ATOM 520 CB GLN A 35 -10.620 -2.058 -10.751 1.00 1.00 C ATOM 521 CG GLN A 35 -10.727 -2.545 -9.301 1.00 1.00 C ATOM 522 CD GLN A 35 -9.387 -3.101 -8.834 1.00 1.00 C ATOM 523 OE1 GLN A 35 -8.585 -2.349 -8.132 1.00 1.00 O flip ATOM 524 NE2 GLN A 35 -9.066 -4.257 -9.111 1.00 1.00 N flip ATOM 0 H GLN A 35 -8.237 -2.716 -10.421 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.509 -0.613 -11.894 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.552 -1.577 -11.048 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.474 -2.909 -11.416 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -11.033 -1.722 -8.655 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -11.495 -3.314 -9.223 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -9.695 -4.843 -9.660 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -8.171 -4.628 -8.791 1.00 1.00 H new ATOM 533 N TYR A 36 -8.570 0.091 -8.964 1.00 1.00 N ATOM 534 CA TYR A 36 -8.569 1.109 -7.918 1.00 1.00 C ATOM 535 C TYR A 36 -7.922 2.389 -8.422 1.00 1.00 C ATOM 536 O TYR A 36 -8.597 3.396 -8.606 1.00 1.00 O ATOM 537 CB TYR A 36 -7.801 0.603 -6.696 1.00 1.00 C ATOM 538 CG TYR A 36 -8.762 -0.011 -5.706 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.746 0.782 -5.102 1.00 1.00 C ATOM 540 CD2 TYR A 36 -8.668 -1.371 -5.387 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.634 0.216 -4.180 1.00 1.00 C ATOM 542 CE2 TYR A 36 -9.557 -1.938 -4.466 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.539 -1.144 -3.861 1.00 1.00 C ATOM 544 OH TYR A 36 -11.415 -1.704 -2.955 1.00 1.00 O ATOM 0 H TYR A 36 -7.771 -0.543 -8.944 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.602 1.317 -7.640 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -7.059 -0.134 -7.001 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.260 1.426 -6.229 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -9.820 1.831 -5.348 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -7.909 -1.983 -5.852 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -11.392 0.828 -3.715 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -9.485 -2.988 -4.222 1.00 1.00 H new ATOM 0 HH TYR A 36 -11.211 -2.657 -2.849 1.00 1.00 H new ATOM 554 N ALA A 37 -6.614 2.348 -8.654 1.00 1.00 N ATOM 555 CA ALA A 37 -5.903 3.523 -9.145 1.00 1.00 C ATOM 556 C ALA A 37 -6.720 4.227 -10.224 1.00 1.00 C ATOM 557 O ALA A 37 -6.661 5.449 -10.363 1.00 1.00 O ATOM 558 CB ALA A 37 -4.546 3.112 -9.718 1.00 1.00 C ATOM 0 H ALA A 37 -6.030 1.524 -8.512 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.751 4.209 -8.311 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -4.022 3.996 -10.082 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -3.952 2.633 -8.939 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.695 2.414 -10.541 1.00 1.00 H new ATOM 564 N GLN A 38 -7.482 3.449 -10.981 1.00 1.00 N ATOM 565 CA GLN A 38 -8.311 4.008 -12.041 1.00 1.00 C ATOM 566 C GLN A 38 -9.157 5.159 -11.507 1.00 1.00 C ATOM 567 O GLN A 38 -9.372 6.157 -12.194 1.00 1.00 O ATOM 568 CB GLN A 38 -9.223 2.923 -12.614 1.00 1.00 C ATOM 569 CG GLN A 38 -8.748 2.544 -14.017 1.00 1.00 C ATOM 570 CD GLN A 38 -8.996 3.700 -14.981 1.00 1.00 C ATOM 571 OE1 GLN A 38 -8.087 4.121 -15.694 1.00 1.00 O ATOM 572 NE2 GLN A 38 -10.183 4.239 -15.045 1.00 1.00 N ATOM 0 H GLN A 38 -7.544 2.436 -10.882 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.659 4.387 -12.828 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -9.214 2.046 -11.966 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -10.252 3.281 -12.651 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -7.686 2.298 -13.996 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -9.275 1.654 -14.360 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -10.935 3.888 -14.452 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -10.358 5.011 -15.688 1.00 1.00 H new ATOM 581 N LEU A 39 -9.636 5.008 -10.275 1.00 1.00 N ATOM 582 CA LEU A 39 -10.460 6.038 -9.655 1.00 1.00 C ATOM 583 C LEU A 39 -9.665 7.329 -9.467 1.00 1.00 C ATOM 584 O LEU A 39 -10.224 8.423 -9.529 1.00 1.00 O ATOM 585 CB LEU A 39 -10.978 5.544 -8.296 1.00 1.00 C ATOM 586 CG LEU A 39 -12.349 4.881 -8.467 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.213 3.644 -9.354 1.00 1.00 C ATOM 588 CD2 LEU A 39 -12.884 4.467 -7.095 1.00 1.00 C ATOM 0 H LEU A 39 -9.469 4.188 -9.691 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.305 6.245 -10.312 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -10.273 4.834 -7.865 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -11.053 6.380 -7.601 1.00 1.00 H new ATOM 0 HG LEU A 39 -13.038 5.585 -8.933 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -13.189 3.174 -9.475 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.828 3.937 -10.331 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -11.525 2.938 -8.890 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -13.859 3.995 -7.212 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -12.193 3.762 -6.633 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -12.981 5.349 -6.461 1.00 1.00 H new ATOM 600 N TYR A 40 -8.359 7.198 -9.240 1.00 1.00 N ATOM 601 CA TYR A 40 -7.510 8.373 -9.050 1.00 1.00 C ATOM 602 C TYR A 40 -7.574 9.275 -10.277 1.00 1.00 C ATOM 603 O TYR A 40 -8.025 10.416 -10.197 1.00 1.00 O ATOM 604 CB TYR A 40 -6.059 7.946 -8.806 1.00 1.00 C ATOM 605 CG TYR A 40 -5.219 9.164 -8.485 1.00 1.00 C ATOM 606 CD1 TYR A 40 -5.464 9.892 -7.315 1.00 1.00 C ATOM 607 CD2 TYR A 40 -4.197 9.557 -9.355 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.686 11.017 -7.016 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.418 10.683 -9.057 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.662 11.413 -7.887 1.00 1.00 C ATOM 611 OH TYR A 40 -2.894 12.520 -7.592 1.00 1.00 O ATOM 0 H TYR A 40 -7.871 6.304 -9.184 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.873 8.922 -8.181 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -6.013 7.233 -7.983 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.664 7.442 -9.688 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -6.253 9.586 -6.643 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -4.008 8.993 -10.256 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.875 11.580 -6.114 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.630 10.988 -9.729 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.229 12.655 -8.299 1.00 1.00 H new ATOM 621 N GLU A 41 -7.114 8.755 -11.409 1.00 1.00 N ATOM 622 CA GLU A 41 -7.117 9.521 -12.649 1.00 1.00 C ATOM 623 C GLU A 41 -8.466 10.203 -12.861 1.00 1.00 C ATOM 624 O GLU A 41 -8.530 11.326 -13.356 1.00 1.00 O ATOM 625 CB GLU A 41 -6.819 8.599 -13.832 1.00 1.00 C ATOM 626 CG GLU A 41 -5.833 7.512 -13.401 1.00 1.00 C ATOM 627 CD GLU A 41 -5.151 6.909 -14.625 1.00 1.00 C ATOM 628 OE1 GLU A 41 -5.857 6.503 -15.533 1.00 1.00 O ATOM 629 OE2 GLU A 41 -3.932 6.861 -14.635 1.00 1.00 O ATOM 0 H GLU A 41 -6.736 7.811 -11.494 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.345 10.287 -12.580 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -7.742 8.145 -14.193 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -6.403 9.175 -14.659 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -5.085 7.934 -12.729 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -6.357 6.734 -12.846 1.00 1.00 H new ATOM 636 N ASP A 42 -9.542 9.516 -12.487 1.00 1.00 N ATOM 637 CA ASP A 42 -10.882 10.069 -12.648 1.00 1.00 C ATOM 638 C ASP A 42 -11.162 11.126 -11.584 1.00 1.00 C ATOM 639 O ASP A 42 -12.068 11.945 -11.735 1.00 1.00 O ATOM 640 CB ASP A 42 -11.922 8.952 -12.545 1.00 1.00 C ATOM 641 CG ASP A 42 -12.072 8.253 -13.892 1.00 1.00 C ATOM 642 OD1 ASP A 42 -12.592 8.873 -14.805 1.00 1.00 O ATOM 643 OD2 ASP A 42 -11.666 7.107 -13.991 1.00 1.00 O ATOM 0 H ASP A 42 -9.513 8.584 -12.074 1.00 1.00 H new ATOM 0 HA ASP A 42 -10.944 10.537 -13.631 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.620 8.232 -11.784 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.881 9.365 -12.231 1.00 1.00 H new ATOM 648 N SER A 43 -10.380 11.099 -10.509 1.00 1.00 N ATOM 649 CA SER A 43 -10.548 12.057 -9.421 1.00 1.00 C ATOM 650 C SER A 43 -11.682 11.626 -8.494 1.00 1.00 C ATOM 651 O SER A 43 -12.557 12.422 -8.153 1.00 1.00 O ATOM 652 CB SER A 43 -10.837 13.450 -9.985 1.00 1.00 C ATOM 653 OG SER A 43 -10.242 13.567 -11.271 1.00 1.00 O ATOM 0 H SER A 43 -9.626 10.427 -10.368 1.00 1.00 H new ATOM 0 HA SER A 43 -9.622 12.089 -8.846 1.00 1.00 H new ATOM 0 HB2 SER A 43 -11.913 13.612 -10.053 1.00 1.00 H new ATOM 0 HB3 SER A 43 -10.441 14.215 -9.317 1.00 1.00 H new ATOM 0 HG SER A 43 -10.923 13.423 -11.961 1.00 1.00 H new ATOM 659 N GLN A 44 -11.656 10.362 -8.088 1.00 1.00 N ATOM 660 CA GLN A 44 -12.680 9.830 -7.197 1.00 1.00 C ATOM 661 C GLN A 44 -12.072 8.801 -6.253 1.00 1.00 C ATOM 662 O GLN A 44 -12.501 7.647 -6.206 1.00 1.00 O ATOM 663 CB GLN A 44 -13.804 9.189 -8.015 1.00 1.00 C ATOM 664 CG GLN A 44 -13.218 8.523 -9.260 1.00 1.00 C ATOM 665 CD GLN A 44 -14.310 7.755 -9.996 1.00 1.00 C ATOM 666 OE1 GLN A 44 -14.526 7.969 -11.189 1.00 1.00 O ATOM 667 NE2 GLN A 44 -15.026 6.876 -9.349 1.00 1.00 N ATOM 0 H GLN A 44 -10.940 9.689 -8.360 1.00 1.00 H new ATOM 0 HA GLN A 44 -13.092 10.649 -6.607 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -14.332 8.452 -7.410 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.534 9.945 -8.304 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -12.785 9.277 -9.917 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -12.412 7.846 -8.977 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -14.846 6.700 -8.361 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -15.765 6.366 -9.832 1.00 1.00 H new ATOM 676 N PHE A 45 -11.056 9.221 -5.511 1.00 1.00 N ATOM 677 CA PHE A 45 -10.388 8.323 -4.581 1.00 1.00 C ATOM 678 C PHE A 45 -10.973 8.432 -3.187 1.00 1.00 C ATOM 679 O PHE A 45 -11.203 7.419 -2.530 1.00 1.00 O ATOM 680 CB PHE A 45 -8.894 8.627 -4.534 1.00 1.00 C ATOM 681 CG PHE A 45 -8.125 7.395 -4.943 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.306 6.856 -6.223 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.229 6.796 -4.051 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.591 5.716 -6.610 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.514 5.656 -4.437 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.694 5.116 -5.716 1.00 1.00 C ATOM 0 H PHE A 45 -10.680 10.169 -5.535 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.542 7.305 -4.938 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.658 9.456 -5.201 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.604 8.934 -3.529 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.997 7.320 -6.911 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -7.089 7.213 -3.065 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.731 5.299 -7.597 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -5.823 5.193 -3.748 1.00 1.00 H new ATOM 0 HZ PHE A 45 -6.142 4.237 -6.014 1.00 1.00 H new ATOM 696 N PRO A 46 -11.216 9.620 -2.713 1.00 1.00 N ATOM 697 CA PRO A 46 -11.784 9.797 -1.356 1.00 1.00 C ATOM 698 C PRO A 46 -13.170 9.176 -1.265 1.00 1.00 C ATOM 699 O PRO A 46 -14.116 9.645 -1.893 1.00 1.00 O ATOM 700 CB PRO A 46 -11.849 11.318 -1.166 1.00 1.00 C ATOM 701 CG PRO A 46 -11.024 11.917 -2.263 1.00 1.00 C ATOM 702 CD PRO A 46 -10.983 10.895 -3.395 1.00 1.00 C ATOM 0 HA PRO A 46 -11.185 9.310 -0.587 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -12.879 11.672 -1.217 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -11.462 11.604 -0.188 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -11.460 12.855 -2.606 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -10.018 12.143 -1.910 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.749 11.095 -4.144 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -10.023 10.905 -3.910 1.00 1.00 H new ATOM 710 N ILE A 47 -13.266 8.124 -0.462 1.00 1.00 N ATOM 711 CA ILE A 47 -14.526 7.413 -0.260 1.00 1.00 C ATOM 712 C ILE A 47 -14.448 6.571 1.007 1.00 1.00 C ATOM 713 O ILE A 47 -13.424 6.551 1.689 1.00 1.00 O ATOM 714 CB ILE A 47 -14.838 6.489 -1.455 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.631 5.568 -1.737 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.176 7.325 -2.698 1.00 1.00 C ATOM 717 CD1 ILE A 47 -13.513 5.271 -3.239 1.00 1.00 C ATOM 0 H ILE A 47 -12.481 7.741 0.064 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.320 8.155 -0.169 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.701 5.871 -1.209 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -12.716 6.041 -1.382 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -13.742 4.635 -1.185 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.394 6.661 -3.535 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.047 7.948 -2.492 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.327 7.960 -2.951 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -12.656 4.621 -3.415 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.421 4.777 -3.585 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -13.378 6.205 -3.785 1.00 1.00 H new ATOM 729 N ASN A 48 -15.536 5.879 1.316 1.00 1.00 N ATOM 730 CA ASN A 48 -15.584 5.039 2.505 1.00 1.00 C ATOM 731 C ASN A 48 -14.568 3.902 2.402 1.00 1.00 C ATOM 732 O ASN A 48 -14.866 2.841 1.855 1.00 1.00 O ATOM 733 CB ASN A 48 -16.988 4.458 2.667 1.00 1.00 C ATOM 734 CG ASN A 48 -17.519 4.003 1.312 1.00 1.00 C ATOM 735 OD1 ASN A 48 -16.680 3.755 0.343 1.00 1.00 O flip ATOM 736 ND2 ASN A 48 -18.730 3.876 1.129 1.00 1.00 N flip ATOM 0 H ASN A 48 -16.393 5.882 0.763 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.337 5.650 3.373 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -16.966 3.617 3.360 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -17.654 5.207 3.096 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -19.384 4.070 1.888 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -19.080 3.576 0.219 1.00 1.00 H new ATOM 743 N ILE A 49 -13.367 4.136 2.925 1.00 1.00 N ATOM 744 CA ILE A 49 -12.315 3.125 2.882 1.00 1.00 C ATOM 745 C ILE A 49 -12.812 1.794 3.444 1.00 1.00 C ATOM 746 O ILE A 49 -12.116 0.782 3.376 1.00 1.00 O ATOM 747 CB ILE A 49 -11.097 3.598 3.675 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.509 4.840 2.991 1.00 1.00 C ATOM 749 CG2 ILE A 49 -10.052 2.478 3.711 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.405 5.454 3.859 1.00 1.00 C ATOM 0 H ILE A 49 -13.100 5.009 3.380 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.032 2.976 1.840 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.388 3.849 4.695 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -10.105 4.569 2.015 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.295 5.575 2.818 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.181 2.811 4.276 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.479 1.597 4.189 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -9.751 2.228 2.694 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -8.998 6.334 3.361 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -9.820 5.743 4.825 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.611 4.722 4.010 1.00 1.00 H new ATOM 762 N VAL A 50 -14.018 1.810 3.997 1.00 1.00 N ATOM 763 CA VAL A 50 -14.603 0.602 4.567 1.00 1.00 C ATOM 764 C VAL A 50 -15.332 -0.207 3.496 1.00 1.00 C ATOM 765 O VAL A 50 -15.214 -1.430 3.444 1.00 1.00 O ATOM 766 CB VAL A 50 -15.581 0.968 5.684 1.00 1.00 C ATOM 767 CG1 VAL A 50 -16.047 -0.307 6.388 1.00 1.00 C ATOM 768 CG2 VAL A 50 -14.880 1.880 6.693 1.00 1.00 C ATOM 0 H VAL A 50 -14.607 2.640 4.063 1.00 1.00 H new ATOM 0 HA VAL A 50 -13.795 -0.005 4.975 1.00 1.00 H new ATOM 0 HB VAL A 50 -16.442 1.486 5.261 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -16.744 -0.049 7.185 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -16.543 -0.959 5.669 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -15.186 -0.824 6.813 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -15.575 2.142 7.490 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -14.021 1.361 7.117 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -14.544 2.787 6.191 1.00 1.00 H new ATOM 778 N ALA A 51 -16.097 0.480 2.658 1.00 1.00 N ATOM 779 CA ALA A 51 -16.852 -0.192 1.604 1.00 1.00 C ATOM 780 C ALA A 51 -15.923 -0.809 0.561 1.00 1.00 C ATOM 781 O ALA A 51 -16.012 -2.001 0.266 1.00 1.00 O ATOM 782 CB ALA A 51 -17.791 0.804 0.923 1.00 1.00 C ATOM 0 H ALA A 51 -16.212 1.493 2.685 1.00 1.00 H new ATOM 0 HA ALA A 51 -17.431 -0.993 2.064 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.352 0.297 0.138 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -18.485 1.212 1.659 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -17.207 1.615 0.487 1.00 1.00 H new ATOM 788 N VAL A 52 -15.044 0.010 -0.005 1.00 1.00 N ATOM 789 CA VAL A 52 -14.115 -0.464 -1.029 1.00 1.00 C ATOM 790 C VAL A 52 -13.446 -1.775 -0.620 1.00 1.00 C ATOM 791 O VAL A 52 -13.689 -2.814 -1.226 1.00 1.00 O ATOM 792 CB VAL A 52 -13.045 0.590 -1.310 1.00 1.00 C ATOM 793 CG1 VAL A 52 -13.538 1.531 -2.406 1.00 1.00 C ATOM 794 CG2 VAL A 52 -12.755 1.405 -0.050 1.00 1.00 C ATOM 0 H VAL A 52 -14.954 1.000 0.225 1.00 1.00 H new ATOM 0 HA VAL A 52 -14.695 -0.644 -1.934 1.00 1.00 H new ATOM 0 HB VAL A 52 -12.132 0.086 -1.628 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -12.777 2.284 -2.609 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -13.735 0.961 -3.314 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -14.455 2.021 -2.079 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -11.991 2.151 -0.267 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -13.667 1.904 0.278 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -12.400 0.742 0.739 1.00 1.00 H new ATOM 804 N LYS A 53 -12.587 -1.720 0.391 1.00 1.00 N ATOM 805 CA LYS A 53 -11.888 -2.914 0.844 1.00 1.00 C ATOM 806 C LYS A 53 -12.840 -4.105 0.893 1.00 1.00 C ATOM 807 O LYS A 53 -12.417 -5.254 0.771 1.00 1.00 O ATOM 808 CB LYS A 53 -11.283 -2.674 2.227 1.00 1.00 C ATOM 809 CG LYS A 53 -12.308 -3.016 3.309 1.00 1.00 C ATOM 810 CD LYS A 53 -11.907 -2.344 4.625 1.00 1.00 C ATOM 811 CE LYS A 53 -10.556 -2.892 5.087 1.00 1.00 C ATOM 812 NZ LYS A 53 -9.464 -2.246 4.304 1.00 1.00 N ATOM 0 H LYS A 53 -12.360 -0.870 0.907 1.00 1.00 H new ATOM 0 HA LYS A 53 -11.088 -3.136 0.137 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -10.389 -3.285 2.354 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -10.974 -1.633 2.323 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -13.299 -2.680 3.005 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -12.364 -4.096 3.443 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -11.847 -1.264 4.490 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -12.666 -2.528 5.386 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -10.418 -2.700 6.151 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -10.524 -3.973 4.952 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -8.662 -2.038 4.933 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -9.153 -2.888 3.547 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -9.814 -1.361 3.885 1.00 1.00 H new ATOM 969 N LEU A 63 -2.980 -8.274 1.727 1.00 1.00 N ATOM 970 CA LEU A 63 -3.077 -7.327 0.625 1.00 1.00 C ATOM 971 C LEU A 63 -4.163 -6.292 0.908 1.00 1.00 C ATOM 972 O LEU A 63 -4.103 -5.165 0.419 1.00 1.00 O ATOM 973 CB LEU A 63 -3.396 -8.069 -0.674 1.00 1.00 C ATOM 974 CG LEU A 63 -2.113 -8.229 -1.496 1.00 1.00 C ATOM 975 CD1 LEU A 63 -2.337 -9.270 -2.594 1.00 1.00 C ATOM 976 CD2 LEU A 63 -1.737 -6.890 -2.136 1.00 1.00 C ATOM 0 HA LEU A 63 -2.121 -6.814 0.521 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -3.823 -9.047 -0.452 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -4.142 -7.518 -1.247 1.00 1.00 H new ATOM 0 HG LEU A 63 -1.306 -8.555 -0.840 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.424 -9.384 -3.179 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -2.599 -10.226 -2.141 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -3.147 -8.943 -3.246 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -0.824 -7.009 -2.719 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.545 -6.559 -2.789 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.574 -6.147 -1.356 1.00 1.00 H new ATOM 988 N VAL A 64 -5.152 -6.684 1.707 1.00 1.00 N ATOM 989 CA VAL A 64 -6.242 -5.780 2.054 1.00 1.00 C ATOM 990 C VAL A 64 -5.754 -4.715 3.027 1.00 1.00 C ATOM 991 O VAL A 64 -6.122 -3.546 2.921 1.00 1.00 O ATOM 992 CB VAL A 64 -7.393 -6.566 2.687 1.00 1.00 C ATOM 993 CG1 VAL A 64 -8.466 -5.592 3.175 1.00 1.00 C ATOM 994 CG2 VAL A 64 -7.998 -7.509 1.645 1.00 1.00 C ATOM 0 H VAL A 64 -5.220 -7.613 2.122 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.595 -5.295 1.144 1.00 1.00 H new ATOM 0 HB VAL A 64 -7.018 -7.147 3.530 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -9.286 -6.150 3.626 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -8.036 -4.918 3.915 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.842 -5.013 2.332 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -8.818 -8.070 2.094 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.374 -6.928 0.803 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.234 -8.202 1.294 1.00 1.00 H new ATOM 1004 N GLU A 65 -4.913 -5.125 3.970 1.00 1.00 N ATOM 1005 CA GLU A 65 -4.370 -4.195 4.949 1.00 1.00 C ATOM 1006 C GLU A 65 -3.690 -3.018 4.250 1.00 1.00 C ATOM 1007 O GLU A 65 -4.124 -1.875 4.393 1.00 1.00 O ATOM 1008 CB GLU A 65 -3.370 -4.906 5.863 1.00 1.00 C ATOM 1009 CG GLU A 65 -4.026 -5.194 7.218 1.00 1.00 C ATOM 1010 CD GLU A 65 -5.301 -6.008 7.026 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -5.567 -6.403 5.903 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -5.994 -6.224 8.008 1.00 1.00 O ATOM 0 H GLU A 65 -4.595 -6.088 4.076 1.00 1.00 H new ATOM 0 HA GLU A 65 -5.194 -3.816 5.554 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -3.039 -5.837 5.403 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -2.484 -4.286 6.001 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -3.331 -5.739 7.858 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -4.257 -4.257 7.724 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.642 -3.265 3.495 1.00 1.00 N ATOM 1020 CA PRO A 66 -1.918 -2.181 2.768 1.00 1.00 C ATOM 1021 C PRO A 66 -2.841 -1.410 1.829 1.00 1.00 C ATOM 1022 O PRO A 66 -2.641 -0.221 1.586 1.00 1.00 O ATOM 1023 CB PRO A 66 -0.821 -2.909 1.980 1.00 1.00 C ATOM 1024 CG PRO A 66 -1.194 -4.354 1.992 1.00 1.00 C ATOM 1025 CD PRO A 66 -2.029 -4.581 3.248 1.00 1.00 C ATOM 0 HA PRO A 66 -1.516 -1.436 3.455 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -0.758 -2.531 0.960 1.00 1.00 H new ATOM 0 HB3 PRO A 66 0.156 -2.755 2.438 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.761 -4.615 1.098 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.304 -4.983 2.000 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -2.783 -5.353 3.095 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -1.412 -4.901 4.088 1.00 1.00 H new ATOM 1033 N LEU A 67 -3.858 -2.091 1.307 1.00 1.00 N ATOM 1034 CA LEU A 67 -4.803 -1.448 0.402 1.00 1.00 C ATOM 1035 C LEU A 67 -5.459 -0.257 1.089 1.00 1.00 C ATOM 1036 O LEU A 67 -5.631 0.803 0.486 1.00 1.00 O ATOM 1037 CB LEU A 67 -5.880 -2.444 -0.036 1.00 1.00 C ATOM 1038 CG LEU A 67 -6.690 -1.848 -1.189 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.357 -2.588 -2.484 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.183 -1.995 -0.886 1.00 1.00 C ATOM 0 H LEU A 67 -4.047 -3.076 1.493 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.259 -1.101 -0.477 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.418 -3.381 -0.348 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.537 -2.676 0.802 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.442 -0.793 -1.302 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -6.934 -2.163 -3.305 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.293 -2.486 -2.698 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -6.606 -3.644 -2.374 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -8.764 -1.571 -1.705 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -8.429 -3.051 -0.774 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.420 -1.467 0.038 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.815 -0.435 2.356 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.443 0.635 3.117 1.00 1.00 C ATOM 1054 C CYS A 68 -5.413 1.695 3.488 1.00 1.00 C ATOM 1055 O CYS A 68 -5.765 2.820 3.837 1.00 1.00 O ATOM 1056 CB CYS A 68 -7.080 0.070 4.388 1.00 1.00 C ATOM 1057 SG CYS A 68 -7.150 1.362 5.654 1.00 1.00 S ATOM 0 H CYS A 68 -5.680 -1.304 2.874 1.00 1.00 H new ATOM 0 HA CYS A 68 -7.216 1.093 2.500 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -8.083 -0.297 4.172 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -6.501 -0.779 4.751 1.00 1.00 H new ATOM 0 HG CYS A 68 -6.773 2.495 5.139 1.00 1.00 H new ATOM 1063 N ARG A 69 -4.140 1.326 3.409 1.00 1.00 N ATOM 1064 CA ARG A 69 -3.063 2.251 3.740 1.00 1.00 C ATOM 1065 C ARG A 69 -2.804 3.212 2.583 1.00 1.00 C ATOM 1066 O ARG A 69 -2.553 4.398 2.795 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.785 1.470 4.051 1.00 1.00 C ATOM 1068 CG ARG A 69 -0.742 2.418 4.643 1.00 1.00 C ATOM 1069 CD ARG A 69 0.581 1.671 4.832 1.00 1.00 C ATOM 1070 NE ARG A 69 1.548 2.095 3.825 1.00 1.00 N ATOM 1071 CZ ARG A 69 1.636 1.485 2.647 1.00 1.00 C ATOM 1072 NH1 ARG A 69 0.846 0.483 2.371 1.00 1.00 N ATOM 1073 NH2 ARG A 69 2.509 1.890 1.765 1.00 1.00 N ATOM 0 H ARG A 69 -3.829 0.398 3.120 1.00 1.00 H new ATOM 0 HA ARG A 69 -3.361 2.828 4.615 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -2.000 0.664 4.753 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -1.398 1.007 3.143 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -0.597 3.274 3.983 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -1.091 2.808 5.599 1.00 1.00 H new ATOM 0 HD2 ARG A 69 0.976 1.863 5.830 1.00 1.00 H new ATOM 0 HD3 ARG A 69 0.414 0.596 4.757 1.00 1.00 H new ATOM 0 HE ARG A 69 2.170 2.877 4.029 1.00 1.00 H new ATOM 0 HH11 ARG A 69 0.162 0.169 3.059 1.00 1.00 H new ATOM 0 HH12 ARG A 69 0.913 0.015 1.467 1.00 1.00 H new ATOM 0 HH21 ARG A 69 3.124 2.675 1.979 1.00 1.00 H new ATOM 0 HH22 ARG A 69 2.576 1.422 0.861 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.867 2.693 1.361 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.636 3.517 0.183 1.00 1.00 C ATOM 1089 C ARG A 70 -3.865 4.364 -0.134 1.00 1.00 C ATOM 1090 O ARG A 70 -3.759 5.570 -0.344 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.298 2.639 -1.025 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.102 1.734 -0.705 1.00 1.00 C ATOM 1093 CD ARG A 70 0.112 2.578 -0.312 1.00 1.00 C ATOM 1094 NE ARG A 70 1.343 1.882 -0.667 1.00 1.00 N ATOM 1095 CZ ARG A 70 2.472 2.547 -0.890 1.00 1.00 C ATOM 1096 NH1 ARG A 70 2.493 3.849 -0.791 1.00 1.00 N ATOM 1097 NH2 ARG A 70 3.559 1.899 -1.208 1.00 1.00 N ATOM 0 H ARG A 70 -3.074 1.714 1.163 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.795 4.178 0.395 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.161 2.031 -1.294 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.068 3.266 -1.886 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.359 1.054 0.107 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -0.861 1.119 -1.572 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.072 3.543 -0.817 1.00 1.00 H new ATOM 0 HD3 ARG A 70 0.094 2.778 0.759 1.00 1.00 H new ATOM 0 HE ARG A 70 1.338 0.865 -0.746 1.00 1.00 H new ATOM 0 HH11 ARG A 70 1.643 4.355 -0.543 1.00 1.00 H new ATOM 0 HH12 ARG A 70 3.359 4.360 -0.962 1.00 1.00 H new ATOM 0 HH21 ARG A 70 3.542 0.882 -1.285 1.00 1.00 H new ATOM 0 HH22 ARG A 70 4.425 2.409 -1.379 1.00 1.00 H new ATOM 1111 N LEU A 71 -5.030 3.728 -0.170 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.259 4.451 -0.467 1.00 1.00 C ATOM 1113 C LEU A 71 -6.371 5.688 0.420 1.00 1.00 C ATOM 1114 O LEU A 71 -6.650 6.783 -0.065 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.474 3.542 -0.254 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.504 2.453 -1.339 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.614 1.449 -1.021 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -7.768 3.076 -2.718 1.00 1.00 C ATOM 0 H LEU A 71 -5.149 2.729 -0.000 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.234 4.766 -1.510 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.428 3.083 0.734 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.391 4.130 -0.290 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.538 1.949 -1.356 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.637 0.676 -1.789 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -8.423 0.991 -0.051 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.574 1.964 -0.996 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -7.786 2.291 -3.474 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -8.728 3.591 -2.707 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -6.977 3.788 -2.953 1.00 1.00 H new ATOM 1130 N ASN A 72 -6.140 5.509 1.716 1.00 1.00 N ATOM 1131 CA ASN A 72 -6.211 6.628 2.653 1.00 1.00 C ATOM 1132 C ASN A 72 -5.162 7.679 2.312 1.00 1.00 C ATOM 1133 O ASN A 72 -5.382 8.874 2.508 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.990 6.134 4.082 1.00 1.00 C ATOM 1135 CG ASN A 72 -6.862 6.930 5.049 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -6.900 8.158 4.984 1.00 1.00 O ATOM 1137 ND2 ASN A 72 -7.567 6.298 5.946 1.00 1.00 N ATOM 0 H ASN A 72 -5.905 4.611 2.140 1.00 1.00 H new ATOM 0 HA ASN A 72 -7.201 7.076 2.574 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.231 5.073 4.150 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.940 6.240 4.354 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -8.152 6.822 6.597 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -7.533 5.280 5.997 1.00 1.00 H new ATOM 1144 N THR A 73 -4.022 7.229 1.798 1.00 1.00 N ATOM 1145 CA THR A 73 -2.950 8.148 1.436 1.00 1.00 C ATOM 1146 C THR A 73 -3.397 9.052 0.293 1.00 1.00 C ATOM 1147 O THR A 73 -3.393 10.276 0.418 1.00 1.00 O ATOM 1148 CB THR A 73 -1.704 7.362 1.020 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.438 6.354 1.984 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.503 8.305 0.922 1.00 1.00 C ATOM 0 H THR A 73 -3.818 6.245 1.624 1.00 1.00 H new ATOM 0 HA THR A 73 -2.710 8.765 2.302 1.00 1.00 H new ATOM 0 HB THR A 73 -1.878 6.901 0.047 1.00 1.00 H new ATOM 0 HG1 THR A 73 -2.064 5.610 1.861 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.380 7.739 0.626 1.00 1.00 H new ATOM 0 HG22 THR A 73 -0.706 9.077 0.179 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.327 8.772 1.891 1.00 1.00 H new ATOM 1158 N LEU A 74 -3.786 8.439 -0.820 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.238 9.199 -1.978 1.00 1.00 C ATOM 1160 C LEU A 74 -5.492 9.998 -1.635 1.00 1.00 C ATOM 1161 O LEU A 74 -5.569 11.195 -1.907 1.00 1.00 O ATOM 1162 CB LEU A 74 -4.536 8.251 -3.142 1.00 1.00 C ATOM 1163 CG LEU A 74 -3.306 8.138 -4.048 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -3.520 7.011 -5.059 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -3.084 9.455 -4.802 1.00 1.00 C ATOM 0 H LEU A 74 -3.797 7.427 -0.944 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.447 9.891 -2.268 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -4.810 7.267 -2.761 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -5.388 8.619 -3.714 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.432 7.924 -3.433 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -2.645 6.930 -5.704 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -3.668 6.070 -4.529 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -4.399 7.228 -5.666 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -2.207 9.364 -5.443 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -3.959 9.676 -5.413 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -2.928 10.262 -4.086 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.471 9.327 -1.033 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.715 9.990 -0.655 1.00 1.00 C ATOM 1179 C ASN A 75 -7.426 11.365 -0.064 1.00 1.00 C ATOM 1180 O ASN A 75 -8.255 12.273 -0.136 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.468 9.145 0.375 1.00 1.00 C ATOM 1182 CG ASN A 75 -9.008 7.878 -0.275 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -9.043 7.771 -1.501 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -9.419 6.897 0.481 1.00 1.00 N ATOM 0 H ASN A 75 -6.428 8.335 -0.799 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.328 10.106 -1.549 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.803 8.885 1.198 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.289 9.723 0.799 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -9.770 6.039 0.056 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -9.389 6.988 1.496 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.244 11.509 0.525 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.850 12.774 1.132 1.00 1.00 C ATOM 1193 C LYS A 76 -5.177 13.676 0.104 1.00 1.00 C ATOM 1194 O LYS A 76 -5.307 14.898 0.156 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.885 12.512 2.292 1.00 1.00 C ATOM 1196 CG LYS A 76 -5.484 13.039 3.598 1.00 1.00 C ATOM 1197 CD LYS A 76 -6.715 12.211 3.974 1.00 1.00 C ATOM 1198 CE LYS A 76 -6.387 11.323 5.176 1.00 1.00 C ATOM 1199 NZ LYS A 76 -6.275 12.166 6.401 1.00 1.00 N ATOM 0 H LYS A 76 -5.545 10.769 0.595 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.745 13.273 1.504 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -4.687 11.443 2.378 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -3.929 12.998 2.098 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -4.743 12.988 4.395 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -5.760 14.087 3.485 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -7.550 12.870 4.212 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -7.025 11.597 3.129 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -7.165 10.571 5.309 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -5.453 10.789 5.003 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -6.408 11.572 7.244 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -5.334 12.608 6.434 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -7.005 12.907 6.380 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.456 13.063 -0.828 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.762 13.820 -1.864 1.00 1.00 C ATOM 1215 C CYS A 77 -4.674 14.049 -3.064 1.00 1.00 C ATOM 1216 O CYS A 77 -4.351 14.831 -3.959 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.508 13.064 -2.305 1.00 1.00 C ATOM 1218 SG CYS A 77 -1.608 14.049 -3.528 1.00 1.00 S ATOM 0 H CYS A 77 -4.337 12.052 -0.888 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.477 14.789 -1.454 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -1.870 12.863 -1.444 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -2.783 12.099 -2.731 1.00 1.00 H new ATOM 0 HG CYS A 77 -2.433 14.855 -4.128 1.00 1.00 H new ATOM 1224 N ALA A 78 -5.810 13.363 -3.080 1.00 1.00 N ATOM 1225 CA ALA A 78 -6.761 13.500 -4.179 1.00 1.00 C ATOM 1226 C ALA A 78 -7.478 14.843 -4.102 1.00 1.00 C ATOM 1227 O ALA A 78 -8.250 15.197 -4.994 1.00 1.00 O ATOM 1228 CB ALA A 78 -7.787 12.367 -4.125 1.00 1.00 C ATOM 0 H ALA A 78 -6.095 12.710 -2.350 1.00 1.00 H new ATOM 0 HA ALA A 78 -6.212 13.448 -5.119 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.493 12.476 -4.948 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.275 11.408 -4.210 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.325 12.408 -3.178 1.00 1.00 H new