USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 563 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 57 HIS : no HE2:sc= -10.8! C(o=-11!,f=-19!) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 38 SER OG : rot 141:sc= 0.177 USER MOD Set 2.2: A 72 ASN :FLIP amide:sc= -4.04! C(o=-11!,f=-3.9!) USER MOD Single : A 26 TYR OH : rot 94:sc= -0.377 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.243 F(o=-2.1,f=-0.24) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -146:sc= 0.332 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 131:sc= -0.299 USER MOD Single : A 42 THR OG1 : rot -175:sc= -1.18! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -7.73! C(o=-7.7!,f=-12!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -42:sc= 0.853 USER MOD Single : A 51 SER OG : rot 22:sc= 0.131 USER MOD Single : A 52 MET CE :methyl -165:sc= -8.86! (180deg=-10.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -2.85! USER MOD Single : A 55 HIS : no HE2:sc= -3.01 K(o=-3,f=-6.1!) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 60 THR OG1 : rot 167:sc= -0.721 USER MOD Single : A 61 THR OG1 : rot -170:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.299 K(o=-0.3,f=-1.7!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -5.81! C(o=-5.8!,f=-17!) USER MOD Single : A 82 SER OG : rot 180:sc=-0.00347 USER MOD Single : A 87 THR OG1 : rot 93:sc= -2.02! USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -2.24! C(o=-2.2!,f=-5.5!) USER MOD Single : A 100 THR OG1 : rot -81:sc= 0.421 USER MOD Single : A 101 GLN : amide:sc= -0.188 K(o=-0.19,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 358 N ASP A 24 5.346 2.421 6.347 1.00 0.00 N ATOM 359 CA ASP A 24 3.952 2.904 6.570 1.00 0.00 C ATOM 360 C ASP A 24 3.718 4.218 5.820 1.00 0.00 C ATOM 361 O ASP A 24 3.372 5.225 6.405 1.00 0.00 O ATOM 362 CB ASP A 24 3.844 3.121 8.080 1.00 0.00 C ATOM 363 CG ASP A 24 4.811 4.226 8.508 1.00 0.00 C ATOM 364 OD1 ASP A 24 5.999 4.068 8.280 1.00 0.00 O ATOM 365 OD2 ASP A 24 4.347 5.212 9.058 1.00 0.00 O ATOM 0 HA ASP A 24 3.208 2.196 6.206 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.823 3.394 8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.075 2.196 8.608 1.00 0.00 H new ATOM 370 N CYS A 25 3.897 4.215 4.527 1.00 0.00 N ATOM 371 CA CYS A 25 3.676 5.464 3.740 1.00 0.00 C ATOM 372 C CYS A 25 3.462 5.123 2.259 1.00 0.00 C ATOM 373 O CYS A 25 3.875 4.083 1.787 1.00 0.00 O ATOM 374 CB CYS A 25 4.935 6.320 3.969 1.00 0.00 C ATOM 375 SG CYS A 25 6.172 6.044 2.669 1.00 0.00 S ATOM 0 H CYS A 25 4.186 3.403 3.981 1.00 0.00 H new ATOM 0 HA CYS A 25 2.784 6.007 4.052 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.660 7.374 3.993 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.367 6.081 4.941 1.00 0.00 H new ATOM 380 N TYR A 26 2.816 5.989 1.527 1.00 0.00 N ATOM 381 CA TYR A 26 2.574 5.711 0.083 1.00 0.00 C ATOM 382 C TYR A 26 2.468 7.023 -0.698 1.00 0.00 C ATOM 383 O TYR A 26 2.581 8.097 -0.142 1.00 0.00 O ATOM 384 CB TYR A 26 1.247 4.952 0.043 1.00 0.00 C ATOM 385 CG TYR A 26 0.113 5.888 0.392 1.00 0.00 C ATOM 386 CD1 TYR A 26 -0.402 6.760 -0.576 1.00 0.00 C ATOM 387 CD2 TYR A 26 -0.429 5.879 1.683 1.00 0.00 C ATOM 388 CE1 TYR A 26 -1.456 7.623 -0.252 1.00 0.00 C ATOM 389 CE2 TYR A 26 -1.483 6.740 2.006 1.00 0.00 C ATOM 390 CZ TYR A 26 -1.997 7.613 1.040 1.00 0.00 C ATOM 391 OH TYR A 26 -3.037 8.463 1.360 1.00 0.00 O ATOM 0 H TYR A 26 2.445 6.877 1.866 1.00 0.00 H new ATOM 0 HA TYR A 26 3.384 5.139 -0.369 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.089 4.528 -0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.272 4.119 0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.014 6.767 -1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.033 5.207 2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.852 8.296 -0.998 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.901 6.731 3.002 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.890 8.000 1.229 1.00 0.00 H new ATOM 401 N HIS A 27 2.255 6.944 -1.983 1.00 0.00 N ATOM 402 CA HIS A 27 2.146 8.190 -2.796 1.00 0.00 C ATOM 403 C HIS A 27 0.836 8.196 -3.589 1.00 0.00 C ATOM 404 O HIS A 27 0.593 7.338 -4.413 1.00 0.00 O ATOM 405 CB HIS A 27 3.346 8.148 -3.743 1.00 0.00 C ATOM 406 CG HIS A 27 3.957 9.518 -3.841 1.00 0.00 C ATOM 407 ND1 HIS A 27 3.448 10.496 -4.682 1.00 0.00 N ATOM 408 CD2 HIS A 27 5.035 10.089 -3.212 1.00 0.00 C ATOM 409 CE1 HIS A 27 4.213 11.594 -4.536 1.00 0.00 C ATOM 410 NE2 HIS A 27 5.195 11.400 -3.652 1.00 0.00 N ATOM 0 H HIS A 27 2.152 6.074 -2.505 1.00 0.00 H new ATOM 0 HA HIS A 27 2.144 9.087 -2.177 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.085 7.434 -3.379 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.032 7.807 -4.730 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.664 9.596 -2.486 1.00 0.00 H new ATOM 0 HE1 HIS A 27 4.052 12.519 -5.069 1.00 0.00 H new ATOM 0 HE2 HIS A 27 5.909 12.068 -3.362 1.00 0.00 H new ATOM 418 N GLY A 28 -0.009 9.162 -3.347 1.00 0.00 N ATOM 419 CA GLY A 28 -1.300 9.227 -4.088 1.00 0.00 C ATOM 420 C GLY A 28 -2.311 8.277 -3.443 1.00 0.00 C ATOM 421 O GLY A 28 -3.153 8.684 -2.668 1.00 0.00 O ATOM 0 H GLY A 28 0.140 9.909 -2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.686 10.246 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.146 8.955 -5.132 1.00 0.00 H new ATOM 425 N ASP A 29 -2.236 7.013 -3.757 1.00 0.00 N ATOM 426 CA ASP A 29 -3.196 6.040 -3.160 1.00 0.00 C ATOM 427 C ASP A 29 -2.513 4.707 -2.913 1.00 0.00 C ATOM 428 O ASP A 29 -3.146 3.671 -2.871 1.00 0.00 O ATOM 429 CB ASP A 29 -4.310 5.890 -4.197 1.00 0.00 C ATOM 430 CG ASP A 29 -5.134 7.177 -4.249 1.00 0.00 C ATOM 431 OD1 ASP A 29 -5.648 7.572 -3.215 1.00 0.00 O ATOM 432 OD2 ASP A 29 -5.239 7.747 -5.323 1.00 0.00 O ATOM 0 H ASP A 29 -1.553 6.612 -4.400 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.580 6.380 -2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.883 5.679 -5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.950 5.046 -3.940 1.00 0.00 H new ATOM 437 N GLY A 30 -1.221 4.717 -2.774 1.00 0.00 N ATOM 438 CA GLY A 30 -0.501 3.438 -2.561 1.00 0.00 C ATOM 439 C GLY A 30 -0.734 2.540 -3.777 1.00 0.00 C ATOM 440 O GLY A 30 -0.332 1.393 -3.798 1.00 0.00 O ATOM 0 H GLY A 30 -0.635 5.551 -2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.565 3.622 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.858 2.949 -1.655 1.00 0.00 H new ATOM 444 N GLN A 31 -1.381 3.051 -4.797 1.00 0.00 N ATOM 445 CA GLN A 31 -1.630 2.215 -6.007 1.00 0.00 C ATOM 446 C GLN A 31 -0.300 1.803 -6.638 1.00 0.00 C ATOM 447 O GLN A 31 -0.106 0.666 -7.018 1.00 0.00 O ATOM 448 CB GLN A 31 -2.425 3.109 -6.960 1.00 0.00 C ATOM 449 CG GLN A 31 -3.920 2.827 -6.799 1.00 0.00 C ATOM 450 CD GLN A 31 -4.709 3.655 -7.817 1.00 0.00 C ATOM 451 OE1 GLN A 31 -5.165 4.829 -7.473 1.00 0.00 O flip ATOM 452 NE2 GLN A 31 -4.912 3.229 -8.937 1.00 0.00 N flip ATOM 0 H GLN A 31 -1.744 4.003 -4.842 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.171 1.299 -5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.218 4.158 -6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.118 2.924 -7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.118 1.765 -6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.240 3.074 -5.787 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.556 2.312 -9.206 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.438 3.789 -9.608 1.00 0.00 H new ATOM 461 N SER A 32 0.622 2.719 -6.743 1.00 0.00 N ATOM 462 CA SER A 32 1.944 2.379 -7.338 1.00 0.00 C ATOM 463 C SER A 32 2.894 1.891 -6.241 1.00 0.00 C ATOM 464 O SER A 32 4.095 2.056 -6.327 1.00 0.00 O ATOM 465 CB SER A 32 2.452 3.685 -7.947 1.00 0.00 C ATOM 466 OG SER A 32 2.794 3.465 -9.309 1.00 0.00 O ATOM 0 H SER A 32 0.517 3.688 -6.443 1.00 0.00 H new ATOM 0 HA SER A 32 1.876 1.586 -8.083 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.686 4.457 -7.872 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.321 4.044 -7.395 1.00 0.00 H new ATOM 0 HG SER A 32 3.119 4.301 -9.704 1.00 0.00 H new ATOM 472 N TYR A 33 2.362 1.295 -5.207 1.00 0.00 N ATOM 473 CA TYR A 33 3.232 0.800 -4.101 1.00 0.00 C ATOM 474 C TYR A 33 4.204 -0.265 -4.620 1.00 0.00 C ATOM 475 O TYR A 33 3.961 -0.899 -5.627 1.00 0.00 O ATOM 476 CB TYR A 33 2.269 0.194 -3.077 1.00 0.00 C ATOM 477 CG TYR A 33 3.041 -0.182 -1.836 1.00 0.00 C ATOM 478 CD1 TYR A 33 3.890 -1.295 -1.851 1.00 0.00 C ATOM 479 CD2 TYR A 33 2.924 0.595 -0.679 1.00 0.00 C ATOM 480 CE1 TYR A 33 4.627 -1.627 -0.708 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.657 0.260 0.466 1.00 0.00 C ATOM 482 CZ TYR A 33 4.510 -0.849 0.451 1.00 0.00 C ATOM 483 OH TYR A 33 5.238 -1.177 1.577 1.00 0.00 O ATOM 0 H TYR A 33 1.363 1.130 -5.081 1.00 0.00 H new ATOM 0 HA TYR A 33 3.838 1.596 -3.670 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.484 0.909 -2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.779 -0.685 -3.496 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.976 -1.897 -2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.268 1.453 -0.669 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.286 -2.483 -0.720 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.564 0.858 1.361 1.00 0.00 H new ATOM 0 HH TYR A 33 4.719 -0.956 2.378 1.00 0.00 H new ATOM 493 N ARG A 34 5.301 -0.469 -3.934 1.00 0.00 N ATOM 494 CA ARG A 34 6.286 -1.497 -4.383 1.00 0.00 C ATOM 495 C ARG A 34 5.549 -2.757 -4.848 1.00 0.00 C ATOM 496 O ARG A 34 5.157 -2.863 -5.993 1.00 0.00 O ATOM 497 CB ARG A 34 7.147 -1.793 -3.154 1.00 0.00 C ATOM 498 CG ARG A 34 8.243 -0.731 -3.033 1.00 0.00 C ATOM 499 CD ARG A 34 9.485 -1.343 -2.379 1.00 0.00 C ATOM 500 NE ARG A 34 10.573 -0.356 -2.627 1.00 0.00 N ATOM 501 CZ ARG A 34 11.773 -0.769 -2.933 1.00 0.00 C ATOM 502 NH1 ARG A 34 11.941 -1.614 -3.913 1.00 0.00 N ATOM 503 NH2 ARG A 34 12.804 -0.334 -2.262 1.00 0.00 N ATOM 0 H ARG A 34 5.556 0.032 -3.083 1.00 0.00 H new ATOM 0 HA ARG A 34 6.892 -1.154 -5.222 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.529 -1.798 -2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.593 -2.784 -3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 34 8.495 -0.340 -4.019 1.00 0.00 H new ATOM 0 HG3 ARG A 34 7.884 0.110 -2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.332 -1.503 -1.312 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.724 -2.313 -2.815 1.00 0.00 H new ATOM 0 HE ARG A 34 10.380 0.643 -2.558 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.135 -1.951 -4.439 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.878 -1.937 -4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.673 0.329 -1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.741 -0.657 -2.501 1.00 0.00 H new ATOM 517 N GLY A 35 5.344 -3.711 -3.979 1.00 0.00 N ATOM 518 CA GLY A 35 4.620 -4.938 -4.412 1.00 0.00 C ATOM 519 C GLY A 35 4.647 -6.014 -3.323 1.00 0.00 C ATOM 520 O GLY A 35 4.609 -7.192 -3.615 1.00 0.00 O ATOM 0 H GLY A 35 5.642 -3.694 -3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.587 -4.687 -4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.074 -5.328 -5.323 1.00 0.00 H new ATOM 524 N SER A 36 4.704 -5.639 -2.075 1.00 0.00 N ATOM 525 CA SER A 36 4.722 -6.681 -1.007 1.00 0.00 C ATOM 526 C SER A 36 4.327 -6.093 0.348 1.00 0.00 C ATOM 527 O SER A 36 4.841 -6.490 1.375 1.00 0.00 O ATOM 528 CB SER A 36 6.165 -7.185 -0.974 1.00 0.00 C ATOM 529 OG SER A 36 7.021 -6.129 -0.560 1.00 0.00 O ATOM 0 H SER A 36 4.738 -4.673 -1.750 1.00 0.00 H new ATOM 0 HA SER A 36 4.008 -7.479 -1.211 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.252 -8.029 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.460 -7.543 -1.960 1.00 0.00 H new ATOM 0 HG SER A 36 7.947 -6.449 -0.536 1.00 0.00 H new ATOM 535 N PHE A 37 3.416 -5.160 0.372 1.00 0.00 N ATOM 536 CA PHE A 37 3.007 -4.578 1.686 1.00 0.00 C ATOM 537 C PHE A 37 1.934 -5.436 2.341 1.00 0.00 C ATOM 538 O PHE A 37 0.889 -4.951 2.727 1.00 0.00 O ATOM 539 CB PHE A 37 2.453 -3.190 1.387 1.00 0.00 C ATOM 540 CG PHE A 37 2.328 -2.433 2.689 1.00 0.00 C ATOM 541 CD1 PHE A 37 3.475 -2.135 3.435 1.00 0.00 C ATOM 542 CD2 PHE A 37 1.067 -2.048 3.160 1.00 0.00 C ATOM 543 CE1 PHE A 37 3.362 -1.448 4.650 1.00 0.00 C ATOM 544 CE2 PHE A 37 0.955 -1.364 4.378 1.00 0.00 C ATOM 545 CZ PHE A 37 2.102 -1.064 5.122 1.00 0.00 C ATOM 0 H PHE A 37 2.942 -4.778 -0.447 1.00 0.00 H new ATOM 0 HA PHE A 37 3.852 -4.533 2.372 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.113 -2.658 0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.481 -3.267 0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.447 -2.435 3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.182 -2.278 2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.247 -1.215 5.223 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.017 -1.068 4.743 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.015 -0.536 6.060 1.00 0.00 H new ATOM 555 N SER A 38 2.182 -6.704 2.481 1.00 0.00 N ATOM 556 CA SER A 38 1.176 -7.596 3.123 1.00 0.00 C ATOM 557 C SER A 38 0.975 -7.245 4.603 1.00 0.00 C ATOM 558 O SER A 38 0.993 -8.111 5.455 1.00 0.00 O ATOM 559 CB SER A 38 1.775 -8.987 3.004 1.00 0.00 C ATOM 560 OG SER A 38 0.947 -9.908 3.703 1.00 0.00 O ATOM 0 H SER A 38 3.040 -7.165 2.178 1.00 0.00 H new ATOM 0 HA SER A 38 0.199 -7.504 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.856 -9.274 1.956 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.784 -8.999 3.417 1.00 0.00 H new ATOM 0 HG SER A 38 0.888 -10.745 3.196 1.00 0.00 H new ATOM 566 N THR A 39 0.774 -5.996 4.925 1.00 0.00 N ATOM 567 CA THR A 39 0.562 -5.632 6.354 1.00 0.00 C ATOM 568 C THR A 39 -0.776 -4.903 6.510 1.00 0.00 C ATOM 569 O THR A 39 -1.025 -3.900 5.870 1.00 0.00 O ATOM 570 CB THR A 39 1.728 -4.709 6.712 1.00 0.00 C ATOM 571 OG1 THR A 39 2.944 -5.288 6.259 1.00 0.00 O ATOM 572 CG2 THR A 39 1.782 -4.522 8.229 1.00 0.00 C ATOM 0 H THR A 39 0.748 -5.218 4.266 1.00 0.00 H new ATOM 0 HA THR A 39 0.530 -6.505 7.006 1.00 0.00 H new ATOM 0 HB THR A 39 1.588 -3.740 6.233 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.692 -4.697 6.486 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.613 -3.864 8.485 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.848 -4.078 8.574 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.924 -5.490 8.710 1.00 0.00 H new ATOM 580 N THR A 40 -1.641 -5.403 7.349 1.00 0.00 N ATOM 581 CA THR A 40 -2.963 -4.741 7.538 1.00 0.00 C ATOM 582 C THR A 40 -2.859 -3.645 8.601 1.00 0.00 C ATOM 583 O THR A 40 -1.984 -3.664 9.444 1.00 0.00 O ATOM 584 CB THR A 40 -3.900 -5.857 8.001 1.00 0.00 C ATOM 585 OG1 THR A 40 -3.453 -6.361 9.251 1.00 0.00 O ATOM 586 CG2 THR A 40 -3.903 -6.984 6.966 1.00 0.00 C ATOM 0 H THR A 40 -1.490 -6.240 7.911 1.00 0.00 H new ATOM 0 HA THR A 40 -3.321 -4.262 6.627 1.00 0.00 H new ATOM 0 HB THR A 40 -4.910 -5.462 8.109 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.206 -6.400 9.876 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.571 -7.779 7.296 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.247 -6.596 6.007 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.893 -7.380 6.856 1.00 0.00 H new ATOM 594 N VAL A 41 -3.745 -2.689 8.567 1.00 0.00 N ATOM 595 CA VAL A 41 -3.696 -1.592 9.575 1.00 0.00 C ATOM 596 C VAL A 41 -3.562 -2.177 10.983 1.00 0.00 C ATOM 597 O VAL A 41 -3.074 -1.531 11.889 1.00 0.00 O ATOM 598 CB VAL A 41 -5.026 -0.856 9.423 1.00 0.00 C ATOM 599 CG1 VAL A 41 -5.259 0.035 10.644 1.00 0.00 C ATOM 600 CG2 VAL A 41 -4.984 0.009 8.162 1.00 0.00 C ATOM 0 H VAL A 41 -4.501 -2.619 7.885 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.845 -0.928 9.425 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.837 -1.580 9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.208 0.560 10.535 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.285 -0.580 11.544 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.450 0.761 10.724 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.932 0.536 8.050 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.174 0.733 8.245 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.817 -0.625 7.291 1.00 0.00 H new ATOM 610 N THR A 42 -3.990 -3.395 11.173 1.00 0.00 N ATOM 611 CA THR A 42 -3.886 -4.021 12.523 1.00 0.00 C ATOM 612 C THR A 42 -2.523 -4.699 12.683 1.00 0.00 C ATOM 613 O THR A 42 -2.186 -5.196 13.739 1.00 0.00 O ATOM 614 CB THR A 42 -5.010 -5.057 12.571 1.00 0.00 C ATOM 615 OG1 THR A 42 -6.201 -4.487 12.043 1.00 0.00 O ATOM 616 CG2 THR A 42 -5.245 -5.490 14.019 1.00 0.00 C ATOM 0 H THR A 42 -4.407 -3.984 10.452 1.00 0.00 H new ATOM 0 HA THR A 42 -3.976 -3.289 13.326 1.00 0.00 H new ATOM 0 HB THR A 42 -4.730 -5.926 11.976 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.940 -5.124 12.141 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.046 -6.228 14.053 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.331 -5.928 14.421 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.525 -4.623 14.617 1.00 0.00 H new ATOM 624 N GLY A 43 -1.736 -4.723 11.642 1.00 0.00 N ATOM 625 CA GLY A 43 -0.397 -5.370 11.735 1.00 0.00 C ATOM 626 C GLY A 43 -0.528 -6.862 11.427 1.00 0.00 C ATOM 627 O GLY A 43 0.412 -7.619 11.562 1.00 0.00 O ATOM 0 H GLY A 43 -1.963 -4.323 10.732 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.294 -4.902 11.033 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.018 -5.229 12.733 1.00 0.00 H new ATOM 631 N ARG A 44 -1.690 -7.292 11.013 1.00 0.00 N ATOM 632 CA ARG A 44 -1.882 -8.735 10.698 1.00 0.00 C ATOM 633 C ARG A 44 -1.217 -9.080 9.365 1.00 0.00 C ATOM 634 O ARG A 44 -0.453 -8.308 8.821 1.00 0.00 O ATOM 635 CB ARG A 44 -3.396 -8.922 10.602 1.00 0.00 C ATOM 636 CG ARG A 44 -3.773 -10.308 11.128 1.00 0.00 C ATOM 637 CD ARG A 44 -4.542 -10.162 12.441 1.00 0.00 C ATOM 638 NE ARG A 44 -5.886 -9.661 12.042 1.00 0.00 N ATOM 639 CZ ARG A 44 -6.591 -8.948 12.875 1.00 0.00 C ATOM 640 NH1 ARG A 44 -6.679 -9.307 14.127 1.00 0.00 N ATOM 641 NH2 ARG A 44 -7.208 -7.877 12.457 1.00 0.00 N ATOM 0 H ARG A 44 -2.514 -6.705 10.880 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.437 -9.383 11.453 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.906 -8.151 11.180 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.722 -8.813 9.568 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.383 -10.834 10.393 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.875 -10.906 11.284 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.615 -11.115 12.965 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.044 -9.465 13.115 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.256 -9.876 11.116 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.196 -10.145 14.453 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.230 -8.750 14.780 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.139 -7.598 11.478 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.760 -7.319 13.109 1.00 0.00 H new ATOM 655 N THR A 45 -1.502 -10.238 8.838 1.00 0.00 N ATOM 656 CA THR A 45 -0.887 -10.640 7.541 1.00 0.00 C ATOM 657 C THR A 45 -1.962 -10.759 6.455 1.00 0.00 C ATOM 658 O THR A 45 -2.833 -11.604 6.522 1.00 0.00 O ATOM 659 CB THR A 45 -0.249 -12.003 7.813 1.00 0.00 C ATOM 660 OG1 THR A 45 0.790 -11.856 8.771 1.00 0.00 O ATOM 661 CG2 THR A 45 0.328 -12.564 6.513 1.00 0.00 C ATOM 0 H THR A 45 -2.135 -10.924 9.249 1.00 0.00 H new ATOM 0 HA THR A 45 -0.159 -9.910 7.187 1.00 0.00 H new ATOM 0 HB THR A 45 -1.004 -12.688 8.199 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.198 -12.729 8.947 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.783 -13.535 6.706 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.470 -12.677 5.779 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.083 -11.880 6.125 1.00 0.00 H new ATOM 669 N CYS A 46 -1.907 -9.921 5.455 1.00 0.00 N ATOM 670 CA CYS A 46 -2.922 -9.989 4.368 1.00 0.00 C ATOM 671 C CYS A 46 -3.115 -11.442 3.928 1.00 0.00 C ATOM 672 O CYS A 46 -2.167 -12.191 3.793 1.00 0.00 O ATOM 673 CB CYS A 46 -2.343 -9.142 3.220 1.00 0.00 C ATOM 674 SG CYS A 46 -3.032 -9.685 1.626 1.00 0.00 S ATOM 0 H CYS A 46 -1.202 -9.192 5.345 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.897 -9.619 4.685 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.573 -8.089 3.384 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.257 -9.232 3.204 1.00 0.00 H new ATOM 679 N GLN A 47 -4.330 -11.839 3.682 1.00 0.00 N ATOM 680 CA GLN A 47 -4.568 -13.234 3.226 1.00 0.00 C ATOM 681 C GLN A 47 -4.518 -13.280 1.693 1.00 0.00 C ATOM 682 O GLN A 47 -5.102 -12.447 1.029 1.00 0.00 O ATOM 683 CB GLN A 47 -5.966 -13.595 3.740 1.00 0.00 C ATOM 684 CG GLN A 47 -6.564 -14.714 2.885 1.00 0.00 C ATOM 685 CD GLN A 47 -5.715 -15.977 3.035 1.00 0.00 C ATOM 686 OE1 GLN A 47 -5.012 -16.364 2.123 1.00 0.00 O ATOM 687 NE2 GLN A 47 -5.747 -16.640 4.159 1.00 0.00 N ATOM 0 H GLN A 47 -5.165 -11.261 3.776 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.819 -13.934 3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.909 -13.912 4.781 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.612 -12.717 3.709 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.590 -14.914 3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.599 -14.408 1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.337 -16.316 4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.182 -17.482 4.271 1.00 0.00 H new ATOM 696 N SER A 48 -3.830 -14.241 1.131 1.00 0.00 N ATOM 697 CA SER A 48 -3.747 -14.341 -0.354 1.00 0.00 C ATOM 698 C SER A 48 -5.088 -13.967 -0.978 1.00 0.00 C ATOM 699 O SER A 48 -6.131 -14.400 -0.529 1.00 0.00 O ATOM 700 CB SER A 48 -3.418 -15.807 -0.629 1.00 0.00 C ATOM 701 OG SER A 48 -2.010 -15.954 -0.766 1.00 0.00 O ATOM 0 H SER A 48 -3.321 -14.963 1.641 1.00 0.00 H new ATOM 0 HA SER A 48 -3.000 -13.669 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.783 -16.433 0.185 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.920 -16.140 -1.537 1.00 0.00 H new ATOM 0 HG SER A 48 -1.795 -16.894 -0.941 1.00 0.00 H new ATOM 707 N TRP A 49 -5.077 -13.177 -2.013 1.00 0.00 N ATOM 708 CA TRP A 49 -6.361 -12.801 -2.653 1.00 0.00 C ATOM 709 C TRP A 49 -7.067 -14.087 -3.051 1.00 0.00 C ATOM 710 O TRP A 49 -8.244 -14.278 -2.815 1.00 0.00 O ATOM 711 CB TRP A 49 -5.959 -11.976 -3.874 1.00 0.00 C ATOM 712 CG TRP A 49 -5.187 -10.774 -3.422 1.00 0.00 C ATOM 713 CD1 TRP A 49 -3.839 -10.675 -3.379 1.00 0.00 C ATOM 714 CD2 TRP A 49 -5.696 -9.501 -2.941 1.00 0.00 C ATOM 715 NE1 TRP A 49 -3.501 -9.422 -2.913 1.00 0.00 N ATOM 716 CE2 TRP A 49 -4.609 -8.663 -2.628 1.00 0.00 C ATOM 717 CE3 TRP A 49 -6.984 -9.003 -2.753 1.00 0.00 C ATOM 718 CZ2 TRP A 49 -4.793 -7.371 -2.144 1.00 0.00 C ATOM 719 CZ3 TRP A 49 -7.187 -7.701 -2.264 1.00 0.00 C ATOM 720 CH2 TRP A 49 -6.090 -6.885 -1.960 1.00 0.00 C ATOM 0 H TRP A 49 -4.240 -12.779 -2.439 1.00 0.00 H new ATOM 0 HA TRP A 49 -7.036 -12.233 -2.013 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -5.354 -12.578 -4.552 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.846 -11.667 -4.427 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -3.142 -11.450 -3.663 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.541 -9.097 -2.794 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.836 -9.625 -2.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.941 -6.750 -1.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.191 -7.329 -2.122 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -6.246 -5.884 -1.585 1.00 0.00 H new ATOM 731 N SER A 50 -6.321 -14.984 -3.620 1.00 0.00 N ATOM 732 CA SER A 50 -6.869 -16.306 -4.020 1.00 0.00 C ATOM 733 C SER A 50 -6.952 -17.245 -2.801 1.00 0.00 C ATOM 734 O SER A 50 -6.825 -18.445 -2.929 1.00 0.00 O ATOM 735 CB SER A 50 -5.849 -16.823 -5.027 1.00 0.00 C ATOM 736 OG SER A 50 -6.266 -18.089 -5.521 1.00 0.00 O ATOM 0 H SER A 50 -5.331 -14.855 -3.830 1.00 0.00 H new ATOM 0 HA SER A 50 -7.877 -16.246 -4.429 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.745 -16.116 -5.850 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.870 -16.910 -4.556 1.00 0.00 H new ATOM 0 HG SER A 50 -6.614 -18.630 -4.782 1.00 0.00 H new ATOM 742 N SER A 51 -7.149 -16.709 -1.622 1.00 0.00 N ATOM 743 CA SER A 51 -7.224 -17.564 -0.400 1.00 0.00 C ATOM 744 C SER A 51 -8.374 -18.561 -0.515 1.00 0.00 C ATOM 745 O SER A 51 -9.476 -18.215 -0.892 1.00 0.00 O ATOM 746 CB SER A 51 -7.471 -16.587 0.745 1.00 0.00 C ATOM 747 OG SER A 51 -8.632 -15.816 0.465 1.00 0.00 O ATOM 0 H SER A 51 -7.262 -15.709 -1.454 1.00 0.00 H new ATOM 0 HA SER A 51 -6.318 -18.151 -0.250 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.599 -17.131 1.681 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.608 -15.933 0.872 1.00 0.00 H new ATOM 0 HG SER A 51 -9.196 -16.296 -0.177 1.00 0.00 H new ATOM 753 N MET A 52 -8.120 -19.802 -0.205 1.00 0.00 N ATOM 754 CA MET A 52 -9.192 -20.832 -0.310 1.00 0.00 C ATOM 755 C MET A 52 -9.248 -21.670 0.972 1.00 0.00 C ATOM 756 O MET A 52 -9.980 -22.635 1.059 1.00 0.00 O ATOM 757 CB MET A 52 -8.787 -21.720 -1.496 1.00 0.00 C ATOM 758 CG MET A 52 -8.116 -20.884 -2.589 1.00 0.00 C ATOM 759 SD MET A 52 -8.857 -21.271 -4.185 1.00 0.00 S ATOM 760 CE MET A 52 -9.892 -19.794 -4.253 1.00 0.00 C ATOM 0 H MET A 52 -7.216 -20.148 0.117 1.00 0.00 H new ATOM 0 HA MET A 52 -10.175 -20.382 -0.450 1.00 0.00 H new ATOM 0 HB2 MET A 52 -8.106 -22.500 -1.157 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.667 -22.219 -1.901 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.231 -19.822 -2.371 1.00 0.00 H new ATOM 0 HG3 MET A 52 -7.046 -21.090 -2.614 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.653 -19.918 -5.023 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.374 -19.643 -3.287 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.274 -18.928 -4.489 1.00 0.00 H new ATOM 770 N THR A 53 -8.471 -21.321 1.964 1.00 0.00 N ATOM 771 CA THR A 53 -8.478 -22.116 3.229 1.00 0.00 C ATOM 772 C THR A 53 -9.475 -21.530 4.239 1.00 0.00 C ATOM 773 O THR A 53 -10.464 -22.160 4.558 1.00 0.00 O ATOM 774 CB THR A 53 -7.047 -22.036 3.762 1.00 0.00 C ATOM 775 OG1 THR A 53 -6.359 -20.976 3.111 1.00 0.00 O ATOM 776 CG2 THR A 53 -6.326 -23.357 3.492 1.00 0.00 C ATOM 0 H THR A 53 -7.835 -20.524 1.954 1.00 0.00 H new ATOM 0 HA THR A 53 -8.789 -23.147 3.059 1.00 0.00 H new ATOM 0 HB THR A 53 -7.069 -21.850 4.836 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.442 -20.922 3.453 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.306 -23.299 3.872 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.854 -24.169 3.992 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.303 -23.546 2.419 1.00 0.00 H new ATOM 784 N PRO A 54 -9.190 -20.343 4.713 1.00 0.00 N ATOM 785 CA PRO A 54 -10.092 -19.692 5.696 1.00 0.00 C ATOM 786 C PRO A 54 -11.375 -19.237 4.999 1.00 0.00 C ATOM 787 O PRO A 54 -12.329 -19.982 4.883 1.00 0.00 O ATOM 788 CB PRO A 54 -9.282 -18.498 6.192 1.00 0.00 C ATOM 789 CG PRO A 54 -8.319 -18.199 5.086 1.00 0.00 C ATOM 790 CD PRO A 54 -8.029 -19.503 4.389 1.00 0.00 C ATOM 0 HA PRO A 54 -10.399 -20.350 6.509 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.925 -17.642 6.398 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.759 -18.733 7.119 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.744 -17.476 4.390 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -7.402 -17.761 5.481 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.923 -19.366 3.313 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.101 -19.949 4.746 1.00 0.00 H new ATOM 798 N HIS A 55 -11.399 -18.028 4.512 1.00 0.00 N ATOM 799 CA HIS A 55 -12.616 -17.541 3.798 1.00 0.00 C ATOM 800 C HIS A 55 -12.351 -17.547 2.293 1.00 0.00 C ATOM 801 O HIS A 55 -11.885 -16.577 1.729 1.00 0.00 O ATOM 802 CB HIS A 55 -12.882 -16.114 4.305 1.00 0.00 C ATOM 803 CG HIS A 55 -11.586 -15.397 4.573 1.00 0.00 C ATOM 804 ND1 HIS A 55 -10.869 -15.589 5.743 1.00 0.00 N ATOM 805 CD2 HIS A 55 -10.868 -14.489 3.837 1.00 0.00 C ATOM 806 CE1 HIS A 55 -9.772 -14.813 5.679 1.00 0.00 C ATOM 807 NE2 HIS A 55 -9.722 -14.120 4.537 1.00 0.00 N ATOM 0 H HIS A 55 -10.633 -17.357 4.576 1.00 0.00 H new ATOM 0 HA HIS A 55 -13.482 -18.176 3.986 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -13.463 -15.562 3.566 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.478 -16.151 5.217 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -11.126 -16.207 6.513 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.149 -14.117 2.863 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.023 -14.757 6.455 1.00 0.00 H new ATOM 815 N TRP A 56 -12.634 -18.643 1.642 1.00 0.00 N ATOM 816 CA TRP A 56 -12.387 -18.730 0.175 1.00 0.00 C ATOM 817 C TRP A 56 -12.996 -17.523 -0.540 1.00 0.00 C ATOM 818 O TRP A 56 -14.109 -17.118 -0.264 1.00 0.00 O ATOM 819 CB TRP A 56 -13.078 -20.024 -0.270 1.00 0.00 C ATOM 820 CG TRP A 56 -12.814 -20.270 -1.725 1.00 0.00 C ATOM 821 CD1 TRP A 56 -13.033 -19.381 -2.716 1.00 0.00 C ATOM 822 CD2 TRP A 56 -12.287 -21.462 -2.371 1.00 0.00 C ATOM 823 NE1 TRP A 56 -12.677 -19.945 -3.919 1.00 0.00 N ATOM 824 CE2 TRP A 56 -12.213 -21.226 -3.762 1.00 0.00 C ATOM 825 CE3 TRP A 56 -11.870 -22.707 -1.893 1.00 0.00 C ATOM 826 CZ2 TRP A 56 -11.741 -22.188 -4.648 1.00 0.00 C ATOM 827 CZ3 TRP A 56 -11.390 -23.681 -2.783 1.00 0.00 C ATOM 828 CH2 TRP A 56 -11.326 -23.422 -4.158 1.00 0.00 C ATOM 0 H TRP A 56 -13.027 -19.484 2.065 1.00 0.00 H new ATOM 0 HA TRP A 56 -11.323 -18.734 -0.063 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -12.713 -20.863 0.322 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -14.151 -19.953 -0.093 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -13.426 -18.384 -2.585 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -12.749 -19.469 -4.818 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -11.917 -22.921 -0.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -11.697 -21.979 -5.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -11.067 -24.639 -2.404 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -10.956 -24.177 -4.835 1.00 0.00 H new ATOM 839 N HIS A 57 -12.275 -16.960 -1.470 1.00 0.00 N ATOM 840 CA HIS A 57 -12.804 -15.791 -2.229 1.00 0.00 C ATOM 841 C HIS A 57 -12.823 -16.129 -3.732 1.00 0.00 C ATOM 842 O HIS A 57 -12.558 -17.247 -4.125 1.00 0.00 O ATOM 843 CB HIS A 57 -11.832 -14.641 -1.889 1.00 0.00 C ATOM 844 CG HIS A 57 -11.182 -14.097 -3.134 1.00 0.00 C ATOM 845 ND1 HIS A 57 -10.331 -14.862 -3.914 1.00 0.00 N ATOM 846 CD2 HIS A 57 -11.272 -12.879 -3.759 1.00 0.00 C ATOM 847 CE1 HIS A 57 -9.949 -14.106 -4.957 1.00 0.00 C ATOM 848 NE2 HIS A 57 -10.494 -12.887 -4.911 1.00 0.00 N ATOM 0 H HIS A 57 -11.338 -17.261 -1.738 1.00 0.00 H new ATOM 0 HA HIS A 57 -13.827 -15.519 -1.970 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.371 -13.843 -1.378 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.066 -14.999 -1.201 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -10.046 -15.824 -3.730 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -11.858 -12.042 -3.409 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -9.283 -14.443 -5.737 1.00 0.00 H new ATOM 856 N GLN A 58 -13.130 -15.175 -4.572 1.00 0.00 N ATOM 857 CA GLN A 58 -13.157 -15.461 -6.039 1.00 0.00 C ATOM 858 C GLN A 58 -12.874 -14.188 -6.845 1.00 0.00 C ATOM 859 O GLN A 58 -12.130 -14.206 -7.805 1.00 0.00 O ATOM 860 CB GLN A 58 -14.574 -15.967 -6.320 1.00 0.00 C ATOM 861 CG GLN A 58 -14.504 -17.317 -7.038 1.00 0.00 C ATOM 862 CD GLN A 58 -15.805 -17.555 -7.808 1.00 0.00 C ATOM 863 OE1 GLN A 58 -16.842 -17.035 -7.448 1.00 0.00 O ATOM 864 NE2 GLN A 58 -15.794 -18.327 -8.861 1.00 0.00 N ATOM 0 H GLN A 58 -13.362 -14.217 -4.309 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.397 -16.188 -6.325 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.127 -16.069 -5.386 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -15.114 -15.245 -6.933 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -13.656 -17.333 -7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.345 -18.117 -6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.924 -18.764 -9.164 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.656 -18.493 -9.381 1.00 0.00 H new ATOM 873 N ARG A 59 -13.464 -13.087 -6.471 1.00 0.00 N ATOM 874 CA ARG A 59 -13.228 -11.824 -7.230 1.00 0.00 C ATOM 875 C ARG A 59 -11.947 -11.136 -6.751 1.00 0.00 C ATOM 876 O ARG A 59 -11.839 -10.720 -5.614 1.00 0.00 O ATOM 877 CB ARG A 59 -14.446 -10.948 -6.935 1.00 0.00 C ATOM 878 CG ARG A 59 -15.608 -11.365 -7.839 1.00 0.00 C ATOM 879 CD ARG A 59 -16.920 -11.286 -7.053 1.00 0.00 C ATOM 880 NE ARG A 59 -17.918 -11.995 -7.899 1.00 0.00 N ATOM 881 CZ ARG A 59 -18.108 -13.277 -7.746 1.00 0.00 C ATOM 882 NH1 ARG A 59 -18.744 -13.722 -6.697 1.00 0.00 N ATOM 883 NH2 ARG A 59 -17.662 -14.113 -8.643 1.00 0.00 N ATOM 0 H ARG A 59 -14.097 -13.005 -5.676 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.104 -12.009 -8.297 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.733 -11.047 -5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.201 -9.899 -7.101 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.655 -10.714 -8.712 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.452 -12.380 -8.206 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.824 -11.759 -6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.214 -10.251 -6.879 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.453 -11.479 -8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.093 -13.068 -5.996 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.892 -14.724 -6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.165 -13.764 -9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.810 -15.115 -8.524 1.00 0.00 H new ATOM 897 N THR A 60 -10.979 -11.003 -7.618 1.00 0.00 N ATOM 898 CA THR A 60 -9.706 -10.330 -7.224 1.00 0.00 C ATOM 899 C THR A 60 -9.158 -9.520 -8.384 1.00 0.00 C ATOM 900 O THR A 60 -9.505 -9.732 -9.528 1.00 0.00 O ATOM 901 CB THR A 60 -8.708 -11.449 -6.923 1.00 0.00 C ATOM 902 OG1 THR A 60 -7.391 -10.913 -6.949 1.00 0.00 O ATOM 903 CG2 THR A 60 -8.829 -12.537 -7.992 1.00 0.00 C ATOM 0 H THR A 60 -11.014 -11.331 -8.583 1.00 0.00 H new ATOM 0 HA THR A 60 -9.871 -9.667 -6.374 1.00 0.00 H new ATOM 0 HB THR A 60 -8.917 -11.876 -5.942 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.767 -11.559 -6.557 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.119 -13.336 -7.780 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.841 -12.941 -7.987 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.613 -12.110 -8.972 1.00 0.00 H new ATOM 911 N THR A 61 -8.249 -8.642 -8.104 1.00 0.00 N ATOM 912 CA THR A 61 -7.619 -7.877 -9.201 1.00 0.00 C ATOM 913 C THR A 61 -6.530 -8.768 -9.806 1.00 0.00 C ATOM 914 O THR A 61 -6.001 -8.498 -10.866 1.00 0.00 O ATOM 915 CB THR A 61 -7.037 -6.613 -8.558 1.00 0.00 C ATOM 916 OG1 THR A 61 -6.645 -5.706 -9.579 1.00 0.00 O ATOM 917 CG2 THR A 61 -5.825 -6.968 -7.701 1.00 0.00 C ATOM 0 H THR A 61 -7.915 -8.421 -7.166 1.00 0.00 H new ATOM 0 HA THR A 61 -8.308 -7.592 -9.996 1.00 0.00 H new ATOM 0 HB THR A 61 -7.795 -6.153 -7.925 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.132 -4.971 -9.184 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.421 -6.062 -7.250 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.125 -7.662 -6.916 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.062 -7.434 -8.325 1.00 0.00 H new ATOM 925 N GLU A 62 -6.211 -9.857 -9.132 1.00 0.00 N ATOM 926 CA GLU A 62 -5.188 -10.790 -9.652 1.00 0.00 C ATOM 927 C GLU A 62 -5.693 -11.336 -10.972 1.00 0.00 C ATOM 928 O GLU A 62 -4.940 -11.600 -11.887 1.00 0.00 O ATOM 929 CB GLU A 62 -5.081 -11.900 -8.604 1.00 0.00 C ATOM 930 CG GLU A 62 -4.038 -12.927 -9.051 1.00 0.00 C ATOM 931 CD GLU A 62 -4.298 -14.261 -8.349 1.00 0.00 C ATOM 932 OE1 GLU A 62 -5.275 -14.907 -8.690 1.00 0.00 O ATOM 933 OE2 GLU A 62 -3.514 -14.615 -7.483 1.00 0.00 O ATOM 0 H GLU A 62 -6.626 -10.128 -8.241 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.216 -10.327 -9.820 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.800 -11.478 -7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.049 -12.383 -8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.083 -13.059 -10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.036 -12.569 -8.814 1.00 0.00 H new ATOM 940 N TYR A 63 -6.985 -11.471 -11.081 1.00 0.00 N ATOM 941 CA TYR A 63 -7.568 -11.958 -12.348 1.00 0.00 C ATOM 942 C TYR A 63 -7.315 -10.908 -13.431 1.00 0.00 C ATOM 943 O TYR A 63 -7.498 -11.148 -14.608 1.00 0.00 O ATOM 944 CB TYR A 63 -9.065 -12.111 -12.072 1.00 0.00 C ATOM 945 CG TYR A 63 -9.403 -13.572 -11.898 1.00 0.00 C ATOM 946 CD1 TYR A 63 -8.989 -14.505 -12.855 1.00 0.00 C ATOM 947 CD2 TYR A 63 -10.134 -13.993 -10.780 1.00 0.00 C ATOM 948 CE1 TYR A 63 -9.303 -15.859 -12.694 1.00 0.00 C ATOM 949 CE2 TYR A 63 -10.449 -15.347 -10.619 1.00 0.00 C ATOM 950 CZ TYR A 63 -10.034 -16.280 -11.576 1.00 0.00 C ATOM 951 OH TYR A 63 -10.344 -17.615 -11.418 1.00 0.00 O ATOM 0 H TYR A 63 -7.658 -11.263 -10.343 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.138 -12.900 -12.687 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.338 -11.555 -11.175 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.641 -11.690 -12.896 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.427 -14.180 -13.718 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.455 -13.273 -10.042 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.982 -16.579 -13.432 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.012 -15.672 -9.757 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.853 -17.737 -10.590 1.00 0.00 H new ATOM 961 N TYR A 64 -6.881 -9.740 -13.026 1.00 0.00 N ATOM 962 CA TYR A 64 -6.592 -8.656 -14.003 1.00 0.00 C ATOM 963 C TYR A 64 -5.090 -8.414 -14.052 1.00 0.00 C ATOM 964 O TYR A 64 -4.404 -8.573 -13.063 1.00 0.00 O ATOM 965 CB TYR A 64 -7.312 -7.423 -13.457 1.00 0.00 C ATOM 966 CG TYR A 64 -8.803 -7.629 -13.548 1.00 0.00 C ATOM 967 CD1 TYR A 64 -9.421 -8.616 -12.772 1.00 0.00 C ATOM 968 CD2 TYR A 64 -9.567 -6.834 -14.409 1.00 0.00 C ATOM 969 CE1 TYR A 64 -10.805 -8.808 -12.857 1.00 0.00 C ATOM 970 CE2 TYR A 64 -10.951 -7.025 -14.495 1.00 0.00 C ATOM 971 CZ TYR A 64 -11.570 -8.012 -13.718 1.00 0.00 C ATOM 972 OH TYR A 64 -12.934 -8.202 -13.803 1.00 0.00 O ATOM 0 H TYR A 64 -6.714 -9.493 -12.050 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.923 -8.900 -15.013 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.021 -7.248 -12.421 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.021 -6.538 -14.024 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.830 -9.229 -12.108 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.089 -6.073 -15.007 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -11.282 -9.570 -12.259 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.541 -6.412 -15.160 1.00 0.00 H new ATOM 0 HH TYR A 64 -13.313 -7.567 -14.445 1.00 0.00 H new ATOM 982 N PRO A 65 -4.623 -8.034 -15.203 1.00 0.00 N ATOM 983 CA PRO A 65 -3.183 -7.770 -15.369 1.00 0.00 C ATOM 984 C PRO A 65 -2.807 -6.449 -14.693 1.00 0.00 C ATOM 985 O PRO A 65 -1.664 -6.038 -14.702 1.00 0.00 O ATOM 986 CB PRO A 65 -3.002 -7.688 -16.881 1.00 0.00 C ATOM 987 CG PRO A 65 -4.346 -7.300 -17.413 1.00 0.00 C ATOM 988 CD PRO A 65 -5.378 -7.819 -16.442 1.00 0.00 C ATOM 0 HA PRO A 65 -2.549 -8.533 -14.917 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.244 -6.951 -17.148 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.676 -8.644 -17.292 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.422 -6.217 -17.513 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.504 -7.723 -18.405 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.186 -7.102 -16.298 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.832 -8.744 -16.798 1.00 0.00 H new ATOM 996 N ASN A 66 -3.762 -5.781 -14.103 1.00 0.00 N ATOM 997 CA ASN A 66 -3.451 -4.489 -13.423 1.00 0.00 C ATOM 998 C ASN A 66 -3.164 -4.727 -11.940 1.00 0.00 C ATOM 999 O ASN A 66 -2.818 -3.818 -11.211 1.00 0.00 O ATOM 1000 CB ASN A 66 -4.705 -3.633 -13.593 1.00 0.00 C ATOM 1001 CG ASN A 66 -5.125 -3.632 -15.063 1.00 0.00 C ATOM 1002 OD1 ASN A 66 -4.330 -3.917 -15.935 1.00 0.00 O ATOM 1003 ND2 ASN A 66 -6.353 -3.319 -15.375 1.00 0.00 N ATOM 0 H ASN A 66 -4.739 -6.071 -14.062 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.570 -4.006 -13.845 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.512 -4.024 -12.973 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.511 -2.614 -13.258 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.645 -3.314 -16.352 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.020 -3.080 -14.642 1.00 0.00 H new ATOM 1010 N GLY A 67 -3.303 -5.941 -11.488 1.00 0.00 N ATOM 1011 CA GLY A 67 -3.036 -6.239 -10.055 1.00 0.00 C ATOM 1012 C GLY A 67 -2.362 -7.605 -9.949 1.00 0.00 C ATOM 1013 O GLY A 67 -3.010 -8.611 -9.746 1.00 0.00 O ATOM 0 H GLY A 67 -3.591 -6.741 -12.051 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.397 -5.469 -9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.968 -6.234 -9.489 1.00 0.00 H new ATOM 1017 N GLY A 68 -1.068 -7.652 -10.091 1.00 0.00 N ATOM 1018 CA GLY A 68 -0.360 -8.957 -10.003 1.00 0.00 C ATOM 1019 C GLY A 68 -0.639 -9.594 -8.644 1.00 0.00 C ATOM 1020 O GLY A 68 -0.486 -10.786 -8.468 1.00 0.00 O ATOM 0 H GLY A 68 -0.471 -6.844 -10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.693 -9.619 -10.803 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.712 -8.811 -10.136 1.00 0.00 H new ATOM 1024 N LEU A 69 -1.043 -8.800 -7.686 1.00 0.00 N ATOM 1025 CA LEU A 69 -1.330 -9.338 -6.322 1.00 0.00 C ATOM 1026 C LEU A 69 -0.358 -10.457 -5.980 1.00 0.00 C ATOM 1027 O LEU A 69 -0.744 -11.583 -5.737 1.00 0.00 O ATOM 1028 CB LEU A 69 -2.756 -9.872 -6.376 1.00 0.00 C ATOM 1029 CG LEU A 69 -3.741 -8.707 -6.358 1.00 0.00 C ATOM 1030 CD1 LEU A 69 -5.148 -9.244 -6.085 1.00 0.00 C ATOM 1031 CD2 LEU A 69 -3.361 -7.711 -5.257 1.00 0.00 C ATOM 0 H LEU A 69 -1.187 -7.796 -7.791 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.219 -8.570 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.898 -10.467 -7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.941 -10.530 -5.527 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.713 -8.201 -7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.857 -8.416 -6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.427 -9.948 -6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.163 -9.751 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.071 -6.884 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.383 -8.212 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.358 -7.327 -5.444 1.00 0.00 H new ATOM 1043 N THR A 70 0.900 -10.152 -5.958 1.00 0.00 N ATOM 1044 CA THR A 70 1.905 -11.201 -5.630 1.00 0.00 C ATOM 1045 C THR A 70 1.462 -11.942 -4.368 1.00 0.00 C ATOM 1046 O THR A 70 1.371 -11.364 -3.304 1.00 0.00 O ATOM 1047 CB THR A 70 3.209 -10.441 -5.384 1.00 0.00 C ATOM 1048 OG1 THR A 70 3.243 -9.284 -6.210 1.00 0.00 O ATOM 1049 CG2 THR A 70 4.400 -11.343 -5.717 1.00 0.00 C ATOM 0 H THR A 70 1.281 -9.226 -6.152 1.00 0.00 H new ATOM 0 HA THR A 70 2.021 -11.942 -6.421 1.00 0.00 H new ATOM 0 HB THR A 70 3.264 -10.143 -4.337 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.077 -8.794 -6.053 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.328 -10.800 -5.541 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.373 -12.230 -5.084 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.348 -11.643 -6.764 1.00 0.00 H new ATOM 1057 N ARG A 71 1.167 -13.212 -4.489 1.00 0.00 N ATOM 1058 CA ARG A 71 0.708 -14.002 -3.307 1.00 0.00 C ATOM 1059 C ARG A 71 -0.214 -13.149 -2.424 1.00 0.00 C ATOM 1060 O ARG A 71 -1.166 -12.564 -2.899 1.00 0.00 O ATOM 1061 CB ARG A 71 1.987 -14.401 -2.568 1.00 0.00 C ATOM 1062 CG ARG A 71 2.759 -13.155 -2.136 1.00 0.00 C ATOM 1063 CD ARG A 71 3.836 -13.566 -1.136 1.00 0.00 C ATOM 1064 NE ARG A 71 4.574 -12.311 -0.823 1.00 0.00 N ATOM 1065 CZ ARG A 71 5.511 -12.309 0.087 1.00 0.00 C ATOM 1066 NH1 ARG A 71 5.808 -13.409 0.727 1.00 0.00 N ATOM 1067 NH2 ARG A 71 6.153 -11.206 0.357 1.00 0.00 N ATOM 0 H ARG A 71 1.225 -13.738 -5.361 1.00 0.00 H new ATOM 0 HA ARG A 71 0.129 -14.881 -3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.738 -15.004 -1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.611 -15.018 -3.214 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.212 -12.673 -3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.082 -12.429 -1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.395 -13.999 -0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.501 -14.319 -1.560 1.00 0.00 H new ATOM 0 HE ARG A 71 4.347 -11.450 -1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.308 -14.273 0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.540 -13.404 1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.923 -10.347 -0.142 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.885 -11.203 1.067 1.00 0.00 H new ATOM 1081 N ASN A 72 0.060 -13.061 -1.150 1.00 0.00 N ATOM 1082 CA ASN A 72 -0.800 -12.233 -0.253 1.00 0.00 C ATOM 1083 C ASN A 72 -0.341 -10.769 -0.293 1.00 0.00 C ATOM 1084 O ASN A 72 -0.427 -10.058 0.688 1.00 0.00 O ATOM 1085 CB ASN A 72 -0.567 -12.816 1.140 1.00 0.00 C ATOM 1086 CG ASN A 72 0.882 -12.558 1.551 1.00 0.00 C ATOM 1087 OD1 ASN A 72 1.255 -11.340 1.829 1.00 0.00 O flip ATOM 1088 ND2 ASN A 72 1.680 -13.472 1.622 1.00 0.00 N flip ATOM 0 H ASN A 72 0.843 -13.527 -0.691 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.850 -12.251 -0.544 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.249 -12.360 1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.773 -13.886 1.140 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.386 -14.424 1.404 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.644 -13.287 1.900 1.00 0.00 H new ATOM 1095 N TYR A 73 0.159 -10.314 -1.409 1.00 0.00 N ATOM 1096 CA TYR A 73 0.643 -8.902 -1.488 1.00 0.00 C ATOM 1097 C TYR A 73 -0.520 -7.919 -1.335 1.00 0.00 C ATOM 1098 O TYR A 73 -1.605 -8.133 -1.840 1.00 0.00 O ATOM 1099 CB TYR A 73 1.282 -8.783 -2.878 1.00 0.00 C ATOM 1100 CG TYR A 73 1.327 -7.332 -3.304 1.00 0.00 C ATOM 1101 CD1 TYR A 73 1.912 -6.373 -2.469 1.00 0.00 C ATOM 1102 CD2 TYR A 73 0.773 -6.948 -4.531 1.00 0.00 C ATOM 1103 CE1 TYR A 73 1.945 -5.029 -2.863 1.00 0.00 C ATOM 1104 CE2 TYR A 73 0.803 -5.605 -4.923 1.00 0.00 C ATOM 1105 CZ TYR A 73 1.388 -4.645 -4.089 1.00 0.00 C ATOM 1106 OH TYR A 73 1.419 -3.321 -4.476 1.00 0.00 O ATOM 0 H TYR A 73 0.254 -10.855 -2.268 1.00 0.00 H new ATOM 0 HA TYR A 73 1.349 -8.664 -0.692 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.290 -9.197 -2.861 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.711 -9.365 -3.601 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.338 -6.669 -1.522 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.322 -7.688 -5.175 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.400 -4.289 -2.221 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.375 -5.309 -5.869 1.00 0.00 H new ATOM 0 HH TYR A 73 0.991 -3.226 -5.352 1.00 0.00 H new ATOM 1116 N CYS A 74 -0.289 -6.836 -0.647 1.00 0.00 N ATOM 1117 CA CYS A 74 -1.370 -5.819 -0.462 1.00 0.00 C ATOM 1118 C CYS A 74 -1.516 -4.976 -1.733 1.00 0.00 C ATOM 1119 O CYS A 74 -0.554 -4.710 -2.420 1.00 0.00 O ATOM 1120 CB CYS A 74 -0.905 -4.955 0.711 1.00 0.00 C ATOM 1121 SG CYS A 74 -2.184 -3.738 1.116 1.00 0.00 S ATOM 0 H CYS A 74 0.601 -6.608 -0.203 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.342 -6.273 -0.268 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.699 -5.582 1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.025 -4.448 0.456 1.00 0.00 H new ATOM 1126 N ARG A 75 -2.710 -4.562 -2.062 1.00 0.00 N ATOM 1127 CA ARG A 75 -2.891 -3.750 -3.302 1.00 0.00 C ATOM 1128 C ARG A 75 -4.129 -2.853 -3.196 1.00 0.00 C ATOM 1129 O ARG A 75 -5.102 -3.193 -2.554 1.00 0.00 O ATOM 1130 CB ARG A 75 -3.083 -4.781 -4.414 1.00 0.00 C ATOM 1131 CG ARG A 75 -1.956 -4.650 -5.440 1.00 0.00 C ATOM 1132 CD ARG A 75 -2.543 -4.248 -6.794 1.00 0.00 C ATOM 1133 NE ARG A 75 -1.482 -4.577 -7.786 1.00 0.00 N ATOM 1134 CZ ARG A 75 -0.828 -3.619 -8.383 1.00 0.00 C ATOM 1135 NH1 ARG A 75 -1.419 -2.891 -9.291 1.00 0.00 N ATOM 1136 NH2 ARG A 75 0.419 -3.386 -8.072 1.00 0.00 N ATOM 0 H ARG A 75 -3.561 -4.748 -1.532 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.043 -3.089 -3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.090 -5.787 -3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.048 -4.632 -4.899 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.233 -3.904 -5.109 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.420 -5.595 -5.530 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.463 -4.794 -7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.790 -3.187 -6.818 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.267 -5.551 -7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.393 -3.071 -9.534 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.907 -2.142 -9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.882 -3.953 -7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.930 -2.637 -8.539 1.00 0.00 H new ATOM 1150 N ASN A 76 -4.098 -1.715 -3.837 1.00 0.00 N ATOM 1151 CA ASN A 76 -5.271 -0.795 -3.793 1.00 0.00 C ATOM 1152 C ASN A 76 -5.924 -0.723 -5.175 1.00 0.00 C ATOM 1153 O ASN A 76 -5.768 0.249 -5.886 1.00 0.00 O ATOM 1154 CB ASN A 76 -4.697 0.567 -3.409 1.00 0.00 C ATOM 1155 CG ASN A 76 -5.836 1.553 -3.138 1.00 0.00 C ATOM 1156 OD1 ASN A 76 -6.948 1.355 -3.587 1.00 0.00 O ATOM 1157 ND2 ASN A 76 -5.603 2.615 -2.416 1.00 0.00 N ATOM 0 H ASN A 76 -3.308 -1.382 -4.391 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.032 -1.128 -3.088 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.069 0.470 -2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.061 0.943 -4.211 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.354 3.279 -2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.670 2.781 -2.039 1.00 0.00 H new ATOM 1164 N PRO A 77 -6.637 -1.763 -5.507 1.00 0.00 N ATOM 1165 CA PRO A 77 -7.328 -1.828 -6.819 1.00 0.00 C ATOM 1166 C PRO A 77 -8.529 -0.879 -6.839 1.00 0.00 C ATOM 1167 O PRO A 77 -9.232 -0.773 -7.824 1.00 0.00 O ATOM 1168 CB PRO A 77 -7.780 -3.283 -6.911 1.00 0.00 C ATOM 1169 CG PRO A 77 -7.878 -3.749 -5.493 1.00 0.00 C ATOM 1170 CD PRO A 77 -6.864 -2.966 -4.701 1.00 0.00 C ATOM 0 HA PRO A 77 -6.694 -1.530 -7.654 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.740 -3.367 -7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.066 -3.883 -7.475 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.882 -3.586 -5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.679 -4.818 -5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.239 -2.717 -3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.943 -3.532 -4.561 1.00 0.00 H new ATOM 1178 N ASP A 78 -8.768 -0.186 -5.760 1.00 0.00 N ATOM 1179 CA ASP A 78 -9.921 0.759 -5.721 1.00 0.00 C ATOM 1180 C ASP A 78 -9.415 2.204 -5.733 1.00 0.00 C ATOM 1181 O ASP A 78 -10.170 3.136 -5.921 1.00 0.00 O ATOM 1182 CB ASP A 78 -10.644 0.449 -4.409 1.00 0.00 C ATOM 1183 CG ASP A 78 -12.069 -0.019 -4.709 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -12.214 -1.096 -5.263 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -12.991 0.709 -4.380 1.00 0.00 O ATOM 0 H ASP A 78 -8.216 -0.233 -4.904 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.580 0.647 -6.582 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.105 -0.322 -3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.667 1.336 -3.776 1.00 0.00 H new ATOM 1190 N ALA A 79 -8.137 2.392 -5.540 1.00 0.00 N ATOM 1191 CA ALA A 79 -7.568 3.771 -5.546 1.00 0.00 C ATOM 1192 C ALA A 79 -8.102 4.588 -4.364 1.00 0.00 C ATOM 1193 O ALA A 79 -8.353 5.771 -4.480 1.00 0.00 O ATOM 1194 CB ALA A 79 -8.021 4.385 -6.872 1.00 0.00 C ATOM 0 H ALA A 79 -7.460 1.647 -5.378 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.482 3.760 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.640 5.403 -6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.636 3.789 -7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.110 4.401 -6.912 1.00 0.00 H new ATOM 1200 N GLU A 80 -8.265 3.973 -3.225 1.00 0.00 N ATOM 1201 CA GLU A 80 -8.768 4.728 -2.038 1.00 0.00 C ATOM 1202 C GLU A 80 -7.594 5.411 -1.339 1.00 0.00 C ATOM 1203 O GLU A 80 -6.549 5.618 -1.923 1.00 0.00 O ATOM 1204 CB GLU A 80 -9.394 3.685 -1.103 1.00 0.00 C ATOM 1205 CG GLU A 80 -10.044 2.566 -1.916 1.00 0.00 C ATOM 1206 CD GLU A 80 -11.406 2.219 -1.312 1.00 0.00 C ATOM 1207 OE1 GLU A 80 -12.028 3.109 -0.756 1.00 0.00 O ATOM 1208 OE2 GLU A 80 -11.803 1.070 -1.415 1.00 0.00 O ATOM 0 H GLU A 80 -8.073 2.984 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.491 5.493 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.629 3.270 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.139 4.160 -0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.164 2.879 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.402 1.685 -1.920 1.00 0.00 H new ATOM 1215 N ILE A 81 -7.746 5.745 -0.088 1.00 0.00 N ATOM 1216 CA ILE A 81 -6.621 6.391 0.639 1.00 0.00 C ATOM 1217 C ILE A 81 -5.395 5.485 0.564 1.00 0.00 C ATOM 1218 O ILE A 81 -4.268 5.935 0.543 1.00 0.00 O ATOM 1219 CB ILE A 81 -7.090 6.513 2.088 1.00 0.00 C ATOM 1220 CG1 ILE A 81 -7.542 5.147 2.598 1.00 0.00 C ATOM 1221 CG2 ILE A 81 -8.253 7.494 2.183 1.00 0.00 C ATOM 1222 CD1 ILE A 81 -6.408 4.519 3.400 1.00 0.00 C ATOM 0 H ILE A 81 -8.595 5.599 0.458 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.355 7.361 0.219 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.262 6.878 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -8.431 5.252 3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.813 4.503 1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.579 7.573 3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.933 8.473 1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.080 7.138 1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.721 3.542 3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.532 4.402 2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.159 5.163 4.244 1.00 0.00 H new ATOM 1234 N SER A 82 -5.623 4.203 0.527 1.00 0.00 N ATOM 1235 CA SER A 82 -4.494 3.235 0.455 1.00 0.00 C ATOM 1236 C SER A 82 -5.027 1.845 0.095 1.00 0.00 C ATOM 1237 O SER A 82 -6.221 1.640 0.019 1.00 0.00 O ATOM 1238 CB SER A 82 -3.883 3.235 1.856 1.00 0.00 C ATOM 1239 OG SER A 82 -4.250 2.039 2.531 1.00 0.00 O ATOM 0 H SER A 82 -6.551 3.780 0.544 1.00 0.00 H new ATOM 0 HA SER A 82 -3.759 3.503 -0.304 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.798 3.311 1.791 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.230 4.103 2.416 1.00 0.00 H new ATOM 0 HG SER A 82 -3.858 2.037 3.429 1.00 0.00 H new ATOM 1245 N PRO A 83 -4.117 0.938 -0.120 1.00 0.00 N ATOM 1246 CA PRO A 83 -4.495 -0.448 -0.483 1.00 0.00 C ATOM 1247 C PRO A 83 -5.033 -1.209 0.727 1.00 0.00 C ATOM 1248 O PRO A 83 -4.889 -0.794 1.859 1.00 0.00 O ATOM 1249 CB PRO A 83 -3.183 -1.066 -0.958 1.00 0.00 C ATOM 1250 CG PRO A 83 -2.113 -0.270 -0.283 1.00 0.00 C ATOM 1251 CD PRO A 83 -2.664 1.115 -0.049 1.00 0.00 C ATOM 0 HA PRO A 83 -5.284 -0.481 -1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.122 -2.120 -0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.091 -1.011 -2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.826 -0.734 0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.217 -0.228 -0.902 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.357 1.508 0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.311 1.817 -0.804 1.00 0.00 H new ATOM 1259 N TRP A 84 -5.639 -2.333 0.482 1.00 0.00 N ATOM 1260 CA TRP A 84 -6.183 -3.158 1.600 1.00 0.00 C ATOM 1261 C TRP A 84 -5.895 -4.634 1.323 1.00 0.00 C ATOM 1262 O TRP A 84 -5.270 -4.972 0.337 1.00 0.00 O ATOM 1263 CB TRP A 84 -7.687 -2.885 1.620 1.00 0.00 C ATOM 1264 CG TRP A 84 -8.228 -2.931 0.228 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -8.147 -1.924 -0.671 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -8.936 -4.017 -0.436 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -8.760 -2.323 -1.845 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -9.261 -3.605 -1.750 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -9.322 -5.307 -0.030 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -9.947 -4.442 -2.629 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -10.013 -6.152 -0.913 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -10.324 -5.721 -2.210 1.00 0.00 C ATOM 0 H TRP A 84 -5.784 -2.721 -0.450 1.00 0.00 H new ATOM 0 HA TRP A 84 -5.731 -2.913 2.561 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -8.192 -3.625 2.241 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -7.883 -1.909 2.064 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -7.680 -0.965 -0.500 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -8.833 -1.741 -2.679 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.086 -5.650 0.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -10.185 -4.104 -3.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -10.307 -7.140 -0.591 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -10.854 -6.376 -2.885 1.00 0.00 H new ATOM 1283 N CYS A 85 -6.327 -5.523 2.176 1.00 0.00 N ATOM 1284 CA CYS A 85 -6.041 -6.963 1.925 1.00 0.00 C ATOM 1285 C CYS A 85 -6.804 -7.852 2.906 1.00 0.00 C ATOM 1286 O CYS A 85 -6.991 -7.508 4.056 1.00 0.00 O ATOM 1287 CB CYS A 85 -4.536 -7.100 2.152 1.00 0.00 C ATOM 1288 SG CYS A 85 -3.796 -8.017 0.779 1.00 0.00 S ATOM 0 H CYS A 85 -6.857 -5.319 3.023 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.347 -7.271 0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.079 -6.114 2.232 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -4.345 -7.617 3.092 1.00 0.00 H new ATOM 1293 N TYR A 86 -7.230 -9.002 2.463 1.00 0.00 N ATOM 1294 CA TYR A 86 -7.962 -9.922 3.374 1.00 0.00 C ATOM 1295 C TYR A 86 -7.074 -10.256 4.573 1.00 0.00 C ATOM 1296 O TYR A 86 -5.932 -9.848 4.639 1.00 0.00 O ATOM 1297 CB TYR A 86 -8.235 -11.172 2.538 1.00 0.00 C ATOM 1298 CG TYR A 86 -9.024 -10.790 1.310 1.00 0.00 C ATOM 1299 CD1 TYR A 86 -9.989 -9.780 1.387 1.00 0.00 C ATOM 1300 CD2 TYR A 86 -8.790 -11.444 0.094 1.00 0.00 C ATOM 1301 CE1 TYR A 86 -10.721 -9.422 0.249 1.00 0.00 C ATOM 1302 CE2 TYR A 86 -9.522 -11.086 -1.044 1.00 0.00 C ATOM 1303 CZ TYR A 86 -10.487 -10.075 -0.967 1.00 0.00 C ATOM 1304 OH TYR A 86 -11.208 -9.722 -2.090 1.00 0.00 O ATOM 0 H TYR A 86 -7.103 -9.343 1.510 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.885 -9.491 3.761 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -7.295 -11.642 2.248 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -8.789 -11.903 3.127 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -10.169 -9.276 2.325 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.045 -12.224 0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -11.466 -8.642 0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.342 -11.590 -1.982 1.00 0.00 H new ATOM 0 HH TYR A 86 -10.921 -10.272 -2.849 1.00 0.00 H new ATOM 1314 N THR A 87 -7.578 -10.993 5.519 1.00 0.00 N ATOM 1315 CA THR A 87 -6.742 -11.341 6.701 1.00 0.00 C ATOM 1316 C THR A 87 -6.401 -12.826 6.684 1.00 0.00 C ATOM 1317 O THR A 87 -7.258 -13.666 6.509 1.00 0.00 O ATOM 1318 CB THR A 87 -7.610 -11.031 7.918 1.00 0.00 C ATOM 1319 OG1 THR A 87 -8.977 -11.046 7.537 1.00 0.00 O ATOM 1320 CG2 THR A 87 -7.247 -9.660 8.481 1.00 0.00 C ATOM 0 H THR A 87 -8.526 -11.368 5.527 1.00 0.00 H new ATOM 0 HA THR A 87 -5.805 -10.785 6.709 1.00 0.00 H new ATOM 0 HB THR A 87 -7.437 -11.785 8.685 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.349 -11.940 7.690 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.871 -9.446 9.349 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.198 -9.655 8.778 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.412 -8.898 7.719 1.00 0.00 H new ATOM 1328 N MET A 88 -5.158 -13.162 6.878 1.00 0.00 N ATOM 1329 CA MET A 88 -4.768 -14.598 6.889 1.00 0.00 C ATOM 1330 C MET A 88 -5.522 -15.357 7.994 1.00 0.00 C ATOM 1331 O MET A 88 -5.421 -16.563 8.099 1.00 0.00 O ATOM 1332 CB MET A 88 -3.266 -14.589 7.173 1.00 0.00 C ATOM 1333 CG MET A 88 -2.685 -15.980 6.909 1.00 0.00 C ATOM 1334 SD MET A 88 -1.613 -15.920 5.452 1.00 0.00 S ATOM 1335 CE MET A 88 -0.261 -16.918 6.122 1.00 0.00 C ATOM 0 H MET A 88 -4.394 -12.503 7.030 1.00 0.00 H new ATOM 0 HA MET A 88 -5.009 -15.098 5.951 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.771 -13.851 6.542 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.083 -14.298 8.207 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.119 -16.320 7.776 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.490 -16.698 6.752 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.527 -17.012 5.375 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.140 -16.436 7.013 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.634 -17.908 6.383 1.00 0.00 H new ATOM 1345 N ASP A 89 -6.278 -14.671 8.822 1.00 0.00 N ATOM 1346 CA ASP A 89 -7.021 -15.370 9.899 1.00 0.00 C ATOM 1347 C ASP A 89 -8.513 -15.401 9.565 1.00 0.00 C ATOM 1348 O ASP A 89 -9.056 -14.450 9.040 1.00 0.00 O ATOM 1349 CB ASP A 89 -6.771 -14.540 11.160 1.00 0.00 C ATOM 1350 CG ASP A 89 -5.265 -14.358 11.364 1.00 0.00 C ATOM 1351 OD1 ASP A 89 -4.612 -13.909 10.437 1.00 0.00 O ATOM 1352 OD2 ASP A 89 -4.792 -14.670 12.444 1.00 0.00 O ATOM 0 H ASP A 89 -6.407 -13.660 8.791 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.697 -16.403 10.024 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.256 -13.568 11.070 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.208 -15.036 12.027 1.00 0.00 H new ATOM 1357 N PRO A 90 -9.119 -16.504 9.886 1.00 0.00 N ATOM 1358 CA PRO A 90 -10.566 -16.691 9.628 1.00 0.00 C ATOM 1359 C PRO A 90 -11.393 -15.828 10.583 1.00 0.00 C ATOM 1360 O PRO A 90 -12.605 -15.781 10.503 1.00 0.00 O ATOM 1361 CB PRO A 90 -10.786 -18.178 9.897 1.00 0.00 C ATOM 1362 CG PRO A 90 -9.683 -18.567 10.830 1.00 0.00 C ATOM 1363 CD PRO A 90 -8.511 -17.672 10.520 1.00 0.00 C ATOM 0 HA PRO A 90 -10.867 -16.398 8.622 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.764 -18.358 10.344 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -10.746 -18.757 8.974 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.995 -18.449 11.868 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.415 -19.615 10.695 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.967 -17.398 11.424 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.799 -18.162 9.856 1.00 0.00 H new ATOM 1371 N ASN A 91 -10.746 -15.139 11.481 1.00 0.00 N ATOM 1372 CA ASN A 91 -11.494 -14.272 12.433 1.00 0.00 C ATOM 1373 C ASN A 91 -11.649 -12.872 11.839 1.00 0.00 C ATOM 1374 O ASN A 91 -12.373 -12.043 12.355 1.00 0.00 O ATOM 1375 CB ASN A 91 -10.635 -14.231 13.698 1.00 0.00 C ATOM 1376 CG ASN A 91 -11.390 -14.900 14.848 1.00 0.00 C ATOM 1377 OD1 ASN A 91 -11.916 -14.231 15.715 1.00 0.00 O ATOM 1378 ND2 ASN A 91 -11.465 -16.202 14.894 1.00 0.00 N ATOM 0 H ASN A 91 -9.733 -15.139 11.597 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.496 -14.647 12.642 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.688 -14.742 13.524 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.398 -13.199 13.956 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -11.965 -16.657 15.658 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.024 -16.764 14.166 1.00 0.00 H new ATOM 1385 N VAL A 92 -10.973 -12.601 10.755 1.00 0.00 N ATOM 1386 CA VAL A 92 -11.079 -11.257 10.128 1.00 0.00 C ATOM 1387 C VAL A 92 -11.409 -11.395 8.640 1.00 0.00 C ATOM 1388 O VAL A 92 -10.908 -12.270 7.963 1.00 0.00 O ATOM 1389 CB VAL A 92 -9.700 -10.629 10.321 1.00 0.00 C ATOM 1390 CG1 VAL A 92 -9.701 -9.215 9.739 1.00 0.00 C ATOM 1391 CG2 VAL A 92 -9.382 -10.559 11.816 1.00 0.00 C ATOM 0 H VAL A 92 -10.352 -13.255 10.278 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.869 -10.650 10.570 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.948 -11.233 9.813 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.718 -8.765 9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.935 -9.259 8.675 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.451 -8.611 10.251 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.398 -10.111 11.958 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.134 -9.951 12.320 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.387 -11.565 12.237 1.00 0.00 H new ATOM 1401 N ARG A 93 -12.250 -10.540 8.126 1.00 0.00 N ATOM 1402 CA ARG A 93 -12.611 -10.623 6.690 1.00 0.00 C ATOM 1403 C ARG A 93 -11.578 -9.877 5.840 1.00 0.00 C ATOM 1404 O ARG A 93 -10.914 -10.453 5.002 1.00 0.00 O ATOM 1405 CB ARG A 93 -13.979 -9.949 6.587 1.00 0.00 C ATOM 1406 CG ARG A 93 -14.449 -9.969 5.131 1.00 0.00 C ATOM 1407 CD ARG A 93 -15.015 -11.350 4.796 1.00 0.00 C ATOM 1408 NE ARG A 93 -16.178 -11.521 5.709 1.00 0.00 N ATOM 1409 CZ ARG A 93 -16.375 -12.662 6.310 1.00 0.00 C ATOM 1410 NH1 ARG A 93 -15.905 -13.762 5.789 1.00 0.00 N ATOM 1411 NH2 ARG A 93 -17.042 -12.704 7.431 1.00 0.00 N ATOM 0 H ARG A 93 -12.702 -9.786 8.644 1.00 0.00 H new ATOM 0 HA ARG A 93 -12.635 -11.651 6.329 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.700 -10.466 7.220 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.918 -8.922 6.947 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -15.210 -9.204 4.973 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -13.618 -9.734 4.466 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -15.321 -11.408 3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -14.271 -12.131 4.954 1.00 0.00 H new ATOM 0 HE ARG A 93 -16.822 -10.745 5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -15.384 -13.729 4.913 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -16.058 -14.655 6.258 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -17.410 -11.844 7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -17.195 -13.597 7.900 1.00 0.00 H new ATOM 1425 N TRP A 94 -11.439 -8.596 6.053 1.00 0.00 N ATOM 1426 CA TRP A 94 -10.452 -7.805 5.263 1.00 0.00 C ATOM 1427 C TRP A 94 -10.047 -6.551 6.041 1.00 0.00 C ATOM 1428 O TRP A 94 -10.741 -6.120 6.941 1.00 0.00 O ATOM 1429 CB TRP A 94 -11.184 -7.428 3.974 1.00 0.00 C ATOM 1430 CG TRP A 94 -12.245 -6.419 4.279 1.00 0.00 C ATOM 1431 CD1 TRP A 94 -13.557 -6.699 4.454 1.00 0.00 C ATOM 1432 CD2 TRP A 94 -12.109 -4.978 4.445 1.00 0.00 C ATOM 1433 NE1 TRP A 94 -14.234 -5.521 4.718 1.00 0.00 N ATOM 1434 CE2 TRP A 94 -13.385 -4.433 4.722 1.00 0.00 C ATOM 1435 CE3 TRP A 94 -11.012 -4.099 4.382 1.00 0.00 C ATOM 1436 CZ2 TRP A 94 -13.566 -3.064 4.931 1.00 0.00 C ATOM 1437 CZ3 TRP A 94 -11.191 -2.722 4.591 1.00 0.00 C ATOM 1438 CH2 TRP A 94 -12.465 -2.206 4.864 1.00 0.00 C ATOM 0 H TRP A 94 -11.968 -8.062 6.742 1.00 0.00 H new ATOM 0 HA TRP A 94 -9.538 -8.364 5.059 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -10.479 -7.022 3.248 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -11.630 -8.315 3.524 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.003 -7.681 4.397 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -15.238 -5.464 4.889 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.026 -4.486 4.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -14.550 -2.671 5.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -10.342 -2.057 4.541 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -12.596 -1.146 5.023 1.00 0.00 H new ATOM 1449 N GLU A 95 -8.930 -5.961 5.710 1.00 0.00 N ATOM 1450 CA GLU A 95 -8.493 -4.738 6.444 1.00 0.00 C ATOM 1451 C GLU A 95 -7.586 -3.879 5.559 1.00 0.00 C ATOM 1452 O GLU A 95 -6.977 -4.361 4.625 1.00 0.00 O ATOM 1453 CB GLU A 95 -7.721 -5.260 7.657 1.00 0.00 C ATOM 1454 CG GLU A 95 -8.650 -5.311 8.873 1.00 0.00 C ATOM 1455 CD GLU A 95 -7.826 -5.572 10.136 1.00 0.00 C ATOM 1456 OE1 GLU A 95 -6.661 -5.911 10.001 1.00 0.00 O ATOM 1457 OE2 GLU A 95 -8.373 -5.430 11.217 1.00 0.00 O ATOM 0 H GLU A 95 -8.304 -6.271 4.967 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.335 -4.110 6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.324 -6.253 7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.869 -4.613 7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.193 -4.371 8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.394 -6.097 8.743 1.00 0.00 H new ATOM 1464 N TYR A 96 -7.490 -2.610 5.848 1.00 0.00 N ATOM 1465 CA TYR A 96 -6.620 -1.723 5.025 1.00 0.00 C ATOM 1466 C TYR A 96 -5.147 -2.035 5.295 1.00 0.00 C ATOM 1467 O TYR A 96 -4.820 -2.895 6.088 1.00 0.00 O ATOM 1468 CB TYR A 96 -6.957 -0.302 5.478 1.00 0.00 C ATOM 1469 CG TYR A 96 -7.947 0.317 4.519 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -7.677 0.334 3.145 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -9.136 0.876 5.005 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -8.595 0.910 2.258 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -10.054 1.451 4.118 1.00 0.00 C ATOM 1474 CZ TYR A 96 -9.783 1.468 2.744 1.00 0.00 C ATOM 1475 OH TYR A 96 -10.688 2.037 1.869 1.00 0.00 O ATOM 0 H TYR A 96 -7.976 -2.150 6.618 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.786 -1.859 3.956 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.374 -0.320 6.485 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.050 0.301 5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -6.761 -0.097 2.769 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.345 0.863 6.065 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -8.386 0.924 1.198 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.971 1.881 4.493 1.00 0.00 H new ATOM 0 HH TYR A 96 -11.459 2.376 2.370 1.00 0.00 H new ATOM 1485 N CYS A 97 -4.257 -1.341 4.642 1.00 0.00 N ATOM 1486 CA CYS A 97 -2.804 -1.595 4.862 1.00 0.00 C ATOM 1487 C CYS A 97 -2.152 -0.378 5.525 1.00 0.00 C ATOM 1488 O CYS A 97 -2.429 0.749 5.171 1.00 0.00 O ATOM 1489 CB CYS A 97 -2.230 -1.822 3.462 1.00 0.00 C ATOM 1490 SG CYS A 97 -2.118 -3.599 3.133 1.00 0.00 S ATOM 0 H CYS A 97 -4.472 -0.609 3.965 1.00 0.00 H new ATOM 0 HA CYS A 97 -2.623 -2.446 5.518 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -2.864 -1.343 2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -1.244 -1.364 3.384 1.00 0.00 H new ATOM 1495 N ASN A 98 -1.289 -0.601 6.484 1.00 0.00 N ATOM 1496 CA ASN A 98 -0.616 0.543 7.170 1.00 0.00 C ATOM 1497 C ASN A 98 0.015 1.471 6.135 1.00 0.00 C ATOM 1498 O ASN A 98 1.180 1.351 5.812 1.00 0.00 O ATOM 1499 CB ASN A 98 0.477 -0.092 8.029 1.00 0.00 C ATOM 1500 CG ASN A 98 -0.106 -0.521 9.376 1.00 0.00 C ATOM 1501 OD1 ASN A 98 -1.073 0.049 9.842 1.00 0.00 O ATOM 1502 ND2 ASN A 98 0.446 -1.508 10.024 1.00 0.00 N ATOM 0 H ASN A 98 -1.022 -1.526 6.821 1.00 0.00 H new ATOM 0 HA ASN A 98 -1.315 1.134 7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.901 -0.954 7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.289 0.618 8.184 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.066 -1.803 10.924 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.257 -1.985 9.631 1.00 0.00 H new ATOM 1509 N LEU A 99 -0.736 2.386 5.596 1.00 0.00 N ATOM 1510 CA LEU A 99 -0.148 3.288 4.572 1.00 0.00 C ATOM 1511 C LEU A 99 -0.654 4.723 4.721 1.00 0.00 C ATOM 1512 O LEU A 99 -1.818 4.973 4.966 1.00 0.00 O ATOM 1513 CB LEU A 99 -0.583 2.689 3.238 1.00 0.00 C ATOM 1514 CG LEU A 99 0.230 1.421 2.979 1.00 0.00 C ATOM 1515 CD1 LEU A 99 -0.401 0.637 1.832 1.00 0.00 C ATOM 1516 CD2 LEU A 99 1.662 1.805 2.606 1.00 0.00 C ATOM 0 H LEU A 99 -1.719 2.548 5.816 1.00 0.00 H new ATOM 0 HA LEU A 99 0.936 3.353 4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.648 2.457 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.428 3.408 2.433 1.00 0.00 H new ATOM 0 HG LEU A 99 0.240 0.804 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.179 -0.267 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.423 0.365 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.410 1.252 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.244 0.902 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.651 2.421 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.113 2.366 3.424 1.00 0.00 H new ATOM 1528 N THR A 100 0.236 5.660 4.566 1.00 0.00 N ATOM 1529 CA THR A 100 -0.121 7.097 4.679 1.00 0.00 C ATOM 1530 C THR A 100 0.562 7.875 3.553 1.00 0.00 C ATOM 1531 O THR A 100 1.543 7.430 2.993 1.00 0.00 O ATOM 1532 CB THR A 100 0.445 7.535 6.023 1.00 0.00 C ATOM 1533 OG1 THR A 100 1.778 7.061 6.148 1.00 0.00 O ATOM 1534 CG2 THR A 100 -0.408 6.966 7.154 1.00 0.00 C ATOM 0 H THR A 100 1.220 5.484 4.361 1.00 0.00 H new ATOM 0 HA THR A 100 -1.195 7.271 4.608 1.00 0.00 H new ATOM 0 HB THR A 100 0.436 8.623 6.082 1.00 0.00 H new ATOM 0 HG1 THR A 100 1.766 6.120 6.421 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.002 7.283 8.113 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.430 7.331 7.058 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.405 5.877 7.100 1.00 0.00 H new ATOM 1542 N GLN A 101 0.068 9.031 3.218 1.00 0.00 N ATOM 1543 CA GLN A 101 0.721 9.813 2.130 1.00 0.00 C ATOM 1544 C GLN A 101 2.187 10.075 2.492 1.00 0.00 C ATOM 1545 O GLN A 101 2.495 10.917 3.311 1.00 0.00 O ATOM 1546 CB GLN A 101 -0.062 11.123 2.042 1.00 0.00 C ATOM 1547 CG GLN A 101 -1.088 11.025 0.910 1.00 0.00 C ATOM 1548 CD GLN A 101 -2.256 11.968 1.201 1.00 0.00 C ATOM 1549 OE1 GLN A 101 -2.385 12.474 2.298 1.00 0.00 O ATOM 1550 NE2 GLN A 101 -3.120 12.229 0.258 1.00 0.00 N ATOM 0 H GLN A 101 -0.750 9.467 3.643 1.00 0.00 H new ATOM 0 HA GLN A 101 0.714 9.285 1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -0.565 11.323 2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.618 11.955 1.860 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -0.623 11.286 -0.041 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -1.448 10.000 0.818 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -3.013 11.805 -0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -3.902 12.857 0.443 1.00 0.00 H new ATOM 1559 N CYS A 102 3.092 9.349 1.892 1.00 0.00 N ATOM 1560 CA CYS A 102 4.537 9.543 2.203 1.00 0.00 C ATOM 1561 C CYS A 102 4.974 10.995 1.950 1.00 0.00 C ATOM 1562 O CYS A 102 5.724 11.548 2.730 1.00 0.00 O ATOM 1563 CB CYS A 102 5.276 8.585 1.267 1.00 0.00 C ATOM 1564 SG CYS A 102 6.729 7.911 2.116 1.00 0.00 S ATOM 0 H CYS A 102 2.892 8.628 1.198 1.00 0.00 H new ATOM 0 HA CYS A 102 4.752 9.343 3.253 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.613 7.776 0.960 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.581 9.108 0.361 1.00 0.00 H new