USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 493 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 55 SER OG : rot 160:sc= -0.0338 USER MOD Set 1.2: A 76 CYS SG : rot 26:sc= -0.237 USER MOD Set 2.1: A 49 ASN : amide:sc= -2.56 K(o=-1.7,f=-5.2!) USER MOD Set 2.2: A 52 THR OG1 : rot 105:sc= 0.848 USER MOD Set 3.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 34 SER OG : rot -120:sc= 0.994 USER MOD Set 4.1: A 29 ASN : amide:sc= -1.99 K(o=-3.6,f=-4.5) USER MOD Set 4.2: A 89 GLN : amide:sc= -1.65! C(o=-3.6!,f=-5.7!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -102:sc= 0.0805 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0961 K(o=-0.096,f=-1.4) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -2.4! C(o=-2.4!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.63 K(o=-1.6,f=-8.6!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -66:sc= 0.394 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.725 K(o=-0.73,f=-1.6) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -137:sc= -0.225 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.577 1.495 -11.268 1.00 0.00 N ATOM 391 CA ILE A 28 -37.915 2.791 -11.345 1.00 0.00 C ATOM 392 C ILE A 28 -38.179 3.465 -12.686 1.00 0.00 C ATOM 393 O ILE A 28 -38.211 2.809 -13.727 1.00 0.00 O ATOM 394 CB ILE A 28 -36.394 2.658 -11.140 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.096 1.825 -9.892 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.752 4.033 -11.032 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.681 2.406 -8.624 1.00 0.00 C ATOM 0 HA ILE A 28 -38.329 3.405 -10.546 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.969 2.147 -12.004 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.488 0.818 -10.035 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -35.016 1.733 -9.776 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.677 3.922 -10.887 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -35.939 4.595 -11.947 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.179 4.568 -10.184 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.430 1.764 -7.780 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.270 3.402 -8.457 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.765 2.472 -8.720 1.00 0.00 H new ATOM 409 N ASN A 29 -38.367 4.780 -12.655 1.00 0.00 N ATOM 410 CA ASN A 29 -38.628 5.545 -13.869 1.00 0.00 C ATOM 411 C ASN A 29 -38.148 6.985 -13.718 1.00 0.00 C ATOM 412 O ASN A 29 -38.051 7.505 -12.606 1.00 0.00 O ATOM 413 CB ASN A 29 -40.122 5.525 -14.198 1.00 0.00 C ATOM 414 CG ASN A 29 -40.665 4.116 -14.332 1.00 0.00 C ATOM 415 OD1 ASN A 29 -40.711 3.557 -15.428 1.00 0.00 O ATOM 416 ND2 ASN A 29 -41.081 3.534 -13.213 1.00 0.00 N ATOM 0 H ASN A 29 -38.343 5.339 -11.802 1.00 0.00 H new ATOM 0 HA ASN A 29 -38.077 5.081 -14.687 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.671 6.050 -13.416 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.294 6.068 -15.127 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -41.457 2.586 -13.240 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -41.024 4.035 -12.326 1.00 0.00 H new ATOM 423 N ILE A 30 -37.849 7.624 -14.844 1.00 0.00 N ATOM 424 CA ILE A 30 -37.381 9.005 -14.838 1.00 0.00 C ATOM 425 C ILE A 30 -38.160 9.854 -15.836 1.00 0.00 C ATOM 426 O ILE A 30 -38.698 9.342 -16.819 1.00 0.00 O ATOM 427 CB ILE A 30 -35.880 9.092 -15.168 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.547 8.201 -16.367 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.047 8.693 -13.958 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.081 8.216 -16.742 1.00 0.00 C ATOM 0 H ILE A 30 -37.922 7.208 -15.772 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.546 9.390 -13.832 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.639 10.123 -15.427 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.846 7.177 -16.143 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.137 8.525 -17.225 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.988 8.760 -14.207 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.267 9.364 -13.128 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.289 7.669 -13.672 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.918 7.563 -17.599 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.781 9.232 -16.998 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.486 7.864 -15.899 1.00 0.00 H new ATOM 442 N THR A 31 -38.215 11.158 -15.580 1.00 0.00 N ATOM 443 CA THR A 31 -38.927 12.079 -16.457 1.00 0.00 C ATOM 444 C THR A 31 -38.086 13.315 -16.755 1.00 0.00 C ATOM 445 O THR A 31 -36.966 13.449 -16.261 1.00 0.00 O ATOM 446 CB THR A 31 -40.267 12.521 -15.838 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.101 12.770 -14.437 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.336 11.460 -16.046 1.00 0.00 C ATOM 0 H THR A 31 -37.775 11.599 -14.773 1.00 0.00 H new ATOM 0 HA THR A 31 -39.123 11.543 -17.386 1.00 0.00 H new ATOM 0 HB THR A 31 -40.586 13.437 -16.335 1.00 0.00 H new ATOM 0 HG1 THR A 31 -40.957 13.052 -14.051 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.273 11.795 -15.600 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.481 11.294 -17.113 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.022 10.529 -15.573 1.00 0.00 H new ATOM 456 N TYR A 32 -38.632 14.215 -17.565 1.00 0.00 N ATOM 457 CA TYR A 32 -37.930 15.440 -17.930 1.00 0.00 C ATOM 458 C TYR A 32 -37.709 16.326 -16.709 1.00 0.00 C ATOM 459 O TYR A 32 -36.870 17.227 -16.725 1.00 0.00 O ATOM 460 CB TYR A 32 -38.718 16.206 -18.995 1.00 0.00 C ATOM 461 CG TYR A 32 -38.322 15.854 -20.411 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.054 16.152 -20.893 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.217 15.223 -21.267 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.688 15.834 -22.187 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.859 14.899 -22.561 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.594 15.207 -23.017 1.00 0.00 C ATOM 467 OH TYR A 32 -37.233 14.887 -24.305 1.00 0.00 O ATOM 0 H TYR A 32 -39.558 14.120 -17.981 1.00 0.00 H new ATOM 0 HA TYR A 32 -36.957 15.164 -18.336 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.781 16.005 -18.863 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.575 17.276 -18.842 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.342 16.641 -20.245 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.209 14.982 -20.914 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.698 16.075 -22.546 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.566 14.407 -23.213 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.985 14.449 -24.756 1.00 0.00 H new ATOM 477 N ASP A 33 -38.468 16.064 -15.651 1.00 0.00 N ATOM 478 CA ASP A 33 -38.356 16.836 -14.418 1.00 0.00 C ATOM 479 C ASP A 33 -37.888 15.953 -13.265 1.00 0.00 C ATOM 480 O ASP A 33 -38.373 16.076 -12.141 1.00 0.00 O ATOM 481 CB ASP A 33 -39.699 17.480 -14.071 1.00 0.00 C ATOM 482 CG ASP A 33 -40.093 18.563 -15.056 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.461 19.640 -15.039 1.00 0.00 O ATOM 484 OD2 ASP A 33 -41.033 18.333 -15.845 1.00 0.00 O ATOM 0 H ASP A 33 -39.168 15.323 -15.622 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.616 17.620 -14.575 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.472 16.712 -14.051 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.646 17.906 -13.069 1.00 0.00 H new ATOM 489 N SER A 34 -36.943 15.064 -13.553 1.00 0.00 N ATOM 490 CA SER A 34 -36.412 14.158 -12.542 1.00 0.00 C ATOM 491 C SER A 34 -35.096 14.683 -11.978 1.00 0.00 C ATOM 492 O SER A 34 -34.508 15.624 -12.514 1.00 0.00 O ATOM 493 CB SER A 34 -36.206 12.762 -13.134 1.00 0.00 C ATOM 494 OG SER A 34 -37.405 12.008 -13.093 1.00 0.00 O ATOM 0 H SER A 34 -36.529 14.952 -14.479 1.00 0.00 H new ATOM 0 HA SER A 34 -37.136 14.097 -11.730 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.862 12.848 -14.165 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.426 12.240 -12.580 1.00 0.00 H new ATOM 0 HG SER A 34 -37.264 11.199 -12.558 1.00 0.00 H new ATOM 500 N THR A 35 -34.636 14.068 -10.893 1.00 0.00 N ATOM 501 CA THR A 35 -33.390 14.474 -10.254 1.00 0.00 C ATOM 502 C THR A 35 -32.225 13.614 -10.729 1.00 0.00 C ATOM 503 O THR A 35 -32.399 12.478 -11.171 1.00 0.00 O ATOM 504 CB THR A 35 -33.489 14.382 -8.720 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.138 13.064 -8.284 1.00 0.00 O ATOM 506 CG2 THR A 35 -34.895 14.719 -8.247 1.00 0.00 C ATOM 0 H THR A 35 -35.108 13.286 -10.438 1.00 0.00 H new ATOM 0 HA THR A 35 -33.212 15.512 -10.537 1.00 0.00 H new ATOM 0 HB THR A 35 -32.795 15.104 -8.290 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.952 12.563 -8.069 1.00 0.00 H new ATOM 0 HG21 THR A 35 -34.940 14.647 -7.160 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.149 15.733 -8.555 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.605 14.018 -8.687 1.00 0.00 H new ATOM 514 N PRO A 36 -31.005 14.165 -10.636 1.00 0.00 N ATOM 515 CA PRO A 36 -29.786 13.465 -11.051 1.00 0.00 C ATOM 516 C PRO A 36 -29.440 12.305 -10.123 1.00 0.00 C ATOM 517 O PRO A 36 -28.535 11.521 -10.407 1.00 0.00 O ATOM 518 CB PRO A 36 -28.710 14.550 -10.975 1.00 0.00 C ATOM 519 CG PRO A 36 -29.226 15.526 -9.974 1.00 0.00 C ATOM 520 CD PRO A 36 -30.723 15.515 -10.119 1.00 0.00 C ATOM 0 HA PRO A 36 -29.889 13.017 -12.039 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.751 14.135 -10.665 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.555 15.022 -11.945 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -28.930 15.243 -8.964 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.823 16.522 -10.157 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.221 15.692 -9.166 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.066 16.288 -10.806 1.00 0.00 H new ATOM 528 N GLU A 37 -30.166 12.203 -9.015 1.00 0.00 N ATOM 529 CA GLU A 37 -29.934 11.138 -8.046 1.00 0.00 C ATOM 530 C GLU A 37 -30.862 9.955 -8.305 1.00 0.00 C ATOM 531 O GLU A 37 -30.556 8.820 -7.937 1.00 0.00 O ATOM 532 CB GLU A 37 -30.140 11.660 -6.622 1.00 0.00 C ATOM 533 CG GLU A 37 -29.159 11.085 -5.615 1.00 0.00 C ATOM 534 CD GLU A 37 -28.097 12.084 -5.199 1.00 0.00 C ATOM 535 OE1 GLU A 37 -28.462 13.140 -4.641 1.00 0.00 O ATOM 536 OE2 GLU A 37 -26.901 11.810 -5.431 1.00 0.00 O ATOM 0 H GLU A 37 -30.919 12.844 -8.766 1.00 0.00 H new ATOM 0 HA GLU A 37 -28.904 10.800 -8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.049 12.746 -6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -31.155 11.426 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -29.704 10.751 -4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.678 10.206 -6.044 1.00 0.00 H new ATOM 543 N ASP A 38 -31.997 10.229 -8.939 1.00 0.00 N ATOM 544 CA ASP A 38 -32.970 9.188 -9.248 1.00 0.00 C ATOM 545 C ASP A 38 -32.567 8.423 -10.505 1.00 0.00 C ATOM 546 O ASP A 38 -32.921 7.255 -10.673 1.00 0.00 O ATOM 547 CB ASP A 38 -34.361 9.799 -9.432 1.00 0.00 C ATOM 548 CG ASP A 38 -35.196 9.728 -8.168 1.00 0.00 C ATOM 549 OD1 ASP A 38 -35.028 10.605 -7.296 1.00 0.00 O ATOM 550 OD2 ASP A 38 -36.018 8.795 -8.053 1.00 0.00 O ATOM 0 H ASP A 38 -32.266 11.163 -9.249 1.00 0.00 H new ATOM 0 HA ASP A 38 -32.996 8.489 -8.412 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.260 10.840 -9.739 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.880 9.278 -10.237 1.00 0.00 H new ATOM 555 N VAL A 39 -31.826 9.088 -11.385 1.00 0.00 N ATOM 556 CA VAL A 39 -31.375 8.471 -12.626 1.00 0.00 C ATOM 557 C VAL A 39 -30.328 7.396 -12.357 1.00 0.00 C ATOM 558 O VAL A 39 -30.201 6.434 -13.114 1.00 0.00 O ATOM 559 CB VAL A 39 -30.785 9.517 -13.591 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.253 8.845 -14.847 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.828 10.568 -13.939 1.00 0.00 C ATOM 0 H VAL A 39 -31.525 10.055 -11.261 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.250 8.014 -13.088 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.952 10.015 -13.095 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.840 9.600 -15.516 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.472 8.134 -14.576 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -31.065 8.319 -15.350 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.394 11.299 -14.621 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.683 10.088 -14.416 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -32.156 11.071 -13.029 1.00 0.00 H new ATOM 571 N LYS A 40 -29.579 7.566 -11.272 1.00 0.00 N ATOM 572 CA LYS A 40 -28.543 6.610 -10.900 1.00 0.00 C ATOM 573 C LYS A 40 -29.151 5.254 -10.558 1.00 0.00 C ATOM 574 O LYS A 40 -28.626 4.210 -10.946 1.00 0.00 O ATOM 575 CB LYS A 40 -27.740 7.136 -9.708 1.00 0.00 C ATOM 576 CG LYS A 40 -26.237 7.110 -9.928 1.00 0.00 C ATOM 577 CD LYS A 40 -25.540 8.208 -9.142 1.00 0.00 C ATOM 578 CE LYS A 40 -25.157 7.736 -7.747 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.700 7.902 -7.486 1.00 0.00 N ATOM 0 H LYS A 40 -29.671 8.357 -10.635 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.876 6.484 -11.753 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -28.050 8.159 -9.495 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -27.980 6.540 -8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -25.841 6.140 -9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -26.022 7.228 -10.990 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -24.646 8.529 -9.677 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -26.195 9.076 -9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -25.725 8.297 -7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -25.430 6.687 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -23.479 7.569 -6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.158 7.346 -8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -23.444 8.906 -7.572 1.00 0.00 H new ATOM 593 N THR A 41 -30.263 5.276 -9.829 1.00 0.00 N ATOM 594 CA THR A 41 -30.943 4.049 -9.435 1.00 0.00 C ATOM 595 C THR A 41 -31.699 3.438 -10.610 1.00 0.00 C ATOM 596 O THR A 41 -31.900 2.224 -10.667 1.00 0.00 O ATOM 597 CB THR A 41 -31.930 4.299 -8.279 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.228 4.802 -7.137 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.664 3.019 -7.907 1.00 0.00 C ATOM 0 H THR A 41 -30.711 6.131 -9.500 1.00 0.00 H new ATOM 0 HA THR A 41 -30.172 3.354 -9.101 1.00 0.00 H new ATOM 0 HB THR A 41 -32.663 5.036 -8.608 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.862 4.960 -6.407 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.355 3.221 -7.089 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.220 2.655 -8.771 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.943 2.264 -7.595 1.00 0.00 H new ATOM 607 N TRP A 42 -32.115 4.285 -11.544 1.00 0.00 N ATOM 608 CA TRP A 42 -32.849 3.826 -12.719 1.00 0.00 C ATOM 609 C TRP A 42 -31.955 2.990 -13.627 1.00 0.00 C ATOM 610 O TRP A 42 -32.416 2.045 -14.269 1.00 0.00 O ATOM 611 CB TRP A 42 -33.409 5.021 -13.493 1.00 0.00 C ATOM 612 CG TRP A 42 -34.150 4.628 -14.736 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.430 4.160 -14.813 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.653 4.667 -16.078 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.760 3.907 -16.123 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.687 4.210 -16.918 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.436 5.046 -16.652 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.539 4.121 -18.300 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.291 4.957 -18.023 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.337 4.498 -18.835 1.00 0.00 C ATOM 0 H TRP A 42 -31.957 5.292 -11.512 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.675 3.201 -12.380 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.078 5.585 -12.843 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.589 5.687 -13.762 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.087 4.011 -13.969 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.658 3.551 -16.450 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.624 5.402 -16.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.344 3.767 -18.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.355 5.246 -18.477 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.192 4.441 -19.904 1.00 0.00 H new ATOM 631 N LEU A 43 -30.675 3.341 -13.676 1.00 0.00 N ATOM 632 CA LEU A 43 -29.715 2.621 -14.506 1.00 0.00 C ATOM 633 C LEU A 43 -29.321 1.297 -13.859 1.00 0.00 C ATOM 634 O LEU A 43 -29.220 0.272 -14.534 1.00 0.00 O ATOM 635 CB LEU A 43 -28.470 3.477 -14.740 1.00 0.00 C ATOM 636 CG LEU A 43 -28.713 4.872 -15.318 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.803 5.892 -14.651 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.502 4.870 -16.825 1.00 0.00 C ATOM 0 H LEU A 43 -30.277 4.120 -13.151 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.188 2.409 -15.465 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.945 3.585 -13.791 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.804 2.938 -15.413 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.747 5.152 -15.117 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -27.990 6.879 -15.075 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -28.004 5.913 -13.580 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.762 5.616 -14.820 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.679 5.871 -17.219 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.479 4.568 -17.049 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.197 4.170 -17.289 1.00 0.00 H new ATOM 650 N GLN A 44 -29.103 1.326 -12.549 1.00 0.00 N ATOM 651 CA GLN A 44 -28.721 0.127 -11.811 1.00 0.00 C ATOM 652 C GLN A 44 -29.829 -0.920 -11.864 1.00 0.00 C ATOM 653 O GLN A 44 -29.576 -2.092 -12.142 1.00 0.00 O ATOM 654 CB GLN A 44 -28.404 0.478 -10.356 1.00 0.00 C ATOM 655 CG GLN A 44 -27.025 1.088 -10.165 1.00 0.00 C ATOM 656 CD GLN A 44 -25.979 0.058 -9.786 1.00 0.00 C ATOM 657 OE1 GLN A 44 -26.211 -1.147 -9.889 1.00 0.00 O ATOM 658 NE2 GLN A 44 -24.818 0.528 -9.343 1.00 0.00 N ATOM 0 H GLN A 44 -29.184 2.166 -11.976 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.829 -0.290 -12.280 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.155 1.176 -9.987 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.481 -0.424 -9.748 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.722 1.587 -11.086 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.074 1.853 -9.390 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.668 1.535 -9.274 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.076 -0.118 -9.072 1.00 0.00 H new ATOM 667 N SER A 45 -31.058 -0.488 -11.596 1.00 0.00 N ATOM 668 CA SER A 45 -32.204 -1.390 -11.609 1.00 0.00 C ATOM 669 C SER A 45 -32.267 -2.169 -12.919 1.00 0.00 C ATOM 670 O SER A 45 -32.388 -3.395 -12.921 1.00 0.00 O ATOM 671 CB SER A 45 -33.500 -0.603 -11.408 1.00 0.00 C ATOM 672 OG SER A 45 -34.610 -1.304 -11.941 1.00 0.00 O ATOM 0 H SER A 45 -31.285 0.480 -11.368 1.00 0.00 H new ATOM 0 HA SER A 45 -32.087 -2.100 -10.790 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.657 -0.421 -10.345 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.416 0.371 -11.889 1.00 0.00 H new ATOM 0 HG SER A 45 -35.426 -0.781 -11.799 1.00 0.00 H new ATOM 678 N LYS A 46 -32.185 -1.450 -14.033 1.00 0.00 N ATOM 679 CA LYS A 46 -32.231 -2.071 -15.351 1.00 0.00 C ATOM 680 C LYS A 46 -31.086 -3.064 -15.525 1.00 0.00 C ATOM 681 O LYS A 46 -31.158 -3.969 -16.355 1.00 0.00 O ATOM 682 CB LYS A 46 -32.163 -1.002 -16.444 1.00 0.00 C ATOM 683 CG LYS A 46 -33.353 -0.059 -16.447 1.00 0.00 C ATOM 684 CD LYS A 46 -34.640 -0.786 -16.799 1.00 0.00 C ATOM 685 CE LYS A 46 -35.712 0.180 -17.280 1.00 0.00 C ATOM 686 NZ LYS A 46 -37.027 -0.495 -17.460 1.00 0.00 N ATOM 0 H LYS A 46 -32.086 -0.435 -14.049 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.174 -2.611 -15.438 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.250 -0.421 -16.316 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -32.095 -1.491 -17.416 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.453 0.405 -15.466 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.180 0.744 -17.163 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.441 -1.526 -17.574 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -35.003 -1.329 -15.926 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.817 0.993 -16.562 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.401 0.627 -18.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.730 0.197 -17.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -36.934 -1.255 -18.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -37.337 -0.900 -16.553 1.00 0.00 H new ATOM 700 N GLY A 47 -30.032 -2.890 -14.734 1.00 0.00 N ATOM 701 CA GLY A 47 -28.888 -3.779 -14.816 1.00 0.00 C ATOM 702 C GLY A 47 -27.804 -3.247 -15.732 1.00 0.00 C ATOM 703 O GLY A 47 -27.330 -3.956 -16.620 1.00 0.00 O ATOM 0 H GLY A 47 -29.950 -2.149 -14.038 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.475 -3.928 -13.818 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.215 -4.755 -15.174 1.00 0.00 H new ATOM 707 N PHE A 48 -27.412 -1.996 -15.519 1.00 0.00 N ATOM 708 CA PHE A 48 -26.380 -1.368 -16.335 1.00 0.00 C ATOM 709 C PHE A 48 -25.056 -1.300 -15.579 1.00 0.00 C ATOM 710 O PHE A 48 -25.034 -1.152 -14.358 1.00 0.00 O ATOM 711 CB PHE A 48 -26.814 0.038 -16.753 1.00 0.00 C ATOM 712 CG PHE A 48 -27.729 0.053 -17.945 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.236 -0.190 -19.216 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.082 0.311 -17.793 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.074 -0.177 -20.315 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.925 0.325 -18.887 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.421 0.082 -20.150 1.00 0.00 C ATOM 0 H PHE A 48 -27.794 -1.396 -14.787 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.238 -1.977 -17.228 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.316 0.519 -15.914 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.928 0.632 -16.978 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.184 -0.392 -19.350 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.482 0.503 -16.808 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.677 -0.369 -21.301 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -30.978 0.526 -18.755 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.079 0.094 -21.007 1.00 0.00 H new ATOM 727 N ASN A 49 -23.955 -1.409 -16.315 1.00 0.00 N ATOM 728 CA ASN A 49 -22.626 -1.361 -15.714 1.00 0.00 C ATOM 729 C ASN A 49 -22.475 -0.129 -14.827 1.00 0.00 C ATOM 730 O ASN A 49 -23.166 0.876 -14.995 1.00 0.00 O ATOM 731 CB ASN A 49 -21.552 -1.354 -16.804 1.00 0.00 C ATOM 732 CG ASN A 49 -21.526 -0.053 -17.582 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.441 0.764 -17.478 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.474 0.145 -18.369 1.00 0.00 N ATOM 0 H ASN A 49 -23.956 -1.531 -17.328 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.501 -2.250 -15.095 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.576 -1.522 -16.349 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.730 -2.181 -17.491 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.402 1.002 -18.918 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.739 -0.560 -18.424 1.00 0.00 H new ATOM 741 N PRO A 50 -21.548 -0.206 -13.861 1.00 0.00 N ATOM 742 CA PRO A 50 -21.283 0.894 -12.929 1.00 0.00 C ATOM 743 C PRO A 50 -20.613 2.082 -13.610 1.00 0.00 C ATOM 744 O PRO A 50 -20.766 3.225 -13.179 1.00 0.00 O ATOM 745 CB PRO A 50 -20.339 0.267 -11.899 1.00 0.00 C ATOM 746 CG PRO A 50 -19.671 -0.848 -12.628 1.00 0.00 C ATOM 747 CD PRO A 50 -20.688 -1.373 -13.603 1.00 0.00 C ATOM 0 HA PRO A 50 -22.201 1.293 -12.499 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.612 0.993 -11.534 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -20.887 -0.099 -11.031 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.779 -0.496 -13.146 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.352 -1.629 -11.938 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.218 -1.736 -14.517 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.254 -2.205 -13.184 1.00 0.00 H new ATOM 755 N VAL A 51 -19.871 1.806 -14.678 1.00 0.00 N ATOM 756 CA VAL A 51 -19.180 2.853 -15.420 1.00 0.00 C ATOM 757 C VAL A 51 -20.168 3.857 -16.003 1.00 0.00 C ATOM 758 O VAL A 51 -19.817 5.008 -16.268 1.00 0.00 O ATOM 759 CB VAL A 51 -18.330 2.264 -16.562 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.714 3.375 -17.398 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.254 1.345 -16.005 1.00 0.00 C ATOM 0 H VAL A 51 -19.733 0.866 -15.048 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.524 3.361 -14.713 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.980 1.675 -17.209 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -17.117 2.939 -18.199 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.506 3.989 -17.828 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -17.077 3.994 -16.767 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.663 0.938 -16.825 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.605 1.909 -15.335 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.722 0.529 -15.455 1.00 0.00 H new ATOM 771 N THR A 52 -21.406 3.416 -16.199 1.00 0.00 N ATOM 772 CA THR A 52 -22.446 4.275 -16.751 1.00 0.00 C ATOM 773 C THR A 52 -23.236 4.962 -15.643 1.00 0.00 C ATOM 774 O THR A 52 -23.541 6.152 -15.730 1.00 0.00 O ATOM 775 CB THR A 52 -23.418 3.480 -17.643 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.724 2.962 -18.783 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.573 4.357 -18.100 1.00 0.00 C ATOM 0 H THR A 52 -21.713 2.468 -15.983 1.00 0.00 H new ATOM 0 HA THR A 52 -21.944 5.029 -17.357 1.00 0.00 H new ATOM 0 HB THR A 52 -23.821 2.653 -17.058 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.570 2.002 -18.664 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.246 3.774 -18.729 1.00 0.00 H new ATOM 0 HG22 THR A 52 -25.117 4.725 -17.230 1.00 0.00 H new ATOM 0 HG23 THR A 52 -24.185 5.202 -18.670 1.00 0.00 H new ATOM 785 N VAL A 53 -23.566 4.206 -14.601 1.00 0.00 N ATOM 786 CA VAL A 53 -24.319 4.743 -13.474 1.00 0.00 C ATOM 787 C VAL A 53 -23.535 5.837 -12.760 1.00 0.00 C ATOM 788 O VAL A 53 -24.108 6.667 -12.056 1.00 0.00 O ATOM 789 CB VAL A 53 -24.678 3.639 -12.462 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.465 4.218 -11.297 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.459 2.525 -13.143 1.00 0.00 C ATOM 0 H VAL A 53 -23.324 3.219 -14.514 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.238 5.166 -13.880 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.753 3.216 -12.070 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.710 3.423 -10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -24.865 4.977 -10.794 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.385 4.670 -11.668 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.704 1.754 -12.413 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.379 2.931 -13.565 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.855 2.091 -13.940 1.00 0.00 H new ATOM 801 N ASN A 54 -22.219 5.833 -12.947 1.00 0.00 N ATOM 802 CA ASN A 54 -21.354 6.826 -12.320 1.00 0.00 C ATOM 803 C ASN A 54 -21.238 8.073 -13.191 1.00 0.00 C ATOM 804 O ASN A 54 -21.186 9.194 -12.684 1.00 0.00 O ATOM 805 CB ASN A 54 -19.966 6.236 -12.066 1.00 0.00 C ATOM 806 CG ASN A 54 -19.605 6.219 -10.593 1.00 0.00 C ATOM 807 OD1 ASN A 54 -19.132 7.216 -10.047 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.828 5.083 -9.943 1.00 0.00 N ATOM 0 H ASN A 54 -21.728 5.153 -13.528 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.800 7.110 -11.367 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.929 5.220 -12.458 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.222 6.816 -12.613 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.606 5.011 -8.950 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.222 4.282 -10.437 1.00 0.00 H new ATOM 815 N SER A 55 -21.198 7.870 -14.504 1.00 0.00 N ATOM 816 CA SER A 55 -21.085 8.977 -15.446 1.00 0.00 C ATOM 817 C SER A 55 -22.428 9.680 -15.622 1.00 0.00 C ATOM 818 O SER A 55 -22.511 10.908 -15.573 1.00 0.00 O ATOM 819 CB SER A 55 -20.579 8.474 -16.799 1.00 0.00 C ATOM 820 OG SER A 55 -19.793 9.459 -17.448 1.00 0.00 O ATOM 0 H SER A 55 -21.242 6.949 -14.940 1.00 0.00 H new ATOM 0 HA SER A 55 -20.370 9.693 -15.042 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.988 7.569 -16.656 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.426 8.206 -17.431 1.00 0.00 H new ATOM 0 HG SER A 55 -19.229 9.033 -18.127 1.00 0.00 H new ATOM 826 N LEU A 56 -23.478 8.893 -15.828 1.00 0.00 N ATOM 827 CA LEU A 56 -24.819 9.437 -16.012 1.00 0.00 C ATOM 828 C LEU A 56 -25.575 9.482 -14.688 1.00 0.00 C ATOM 829 O LEU A 56 -26.802 9.569 -14.665 1.00 0.00 O ATOM 830 CB LEU A 56 -25.596 8.599 -17.028 1.00 0.00 C ATOM 831 CG LEU A 56 -24.888 8.328 -18.357 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.652 7.293 -19.167 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.730 9.618 -19.149 1.00 0.00 C ATOM 0 H LEU A 56 -23.427 7.875 -15.872 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.722 10.455 -16.389 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.841 7.642 -16.568 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.540 9.102 -17.238 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.895 7.932 -18.144 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.134 7.113 -20.109 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.713 6.362 -18.603 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.658 7.661 -19.371 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.225 9.407 -20.091 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.713 10.043 -19.352 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.139 10.329 -18.572 1.00 0.00 H new ATOM 845 N GLY A 57 -24.833 9.424 -13.586 1.00 0.00 N ATOM 846 CA GLY A 57 -25.450 9.461 -12.273 1.00 0.00 C ATOM 847 C GLY A 57 -25.415 10.844 -11.655 1.00 0.00 C ATOM 848 O GLY A 57 -25.763 11.020 -10.488 1.00 0.00 O ATOM 0 H GLY A 57 -23.816 9.352 -13.579 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.485 9.128 -12.352 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.938 8.759 -11.615 1.00 0.00 H new ATOM 852 N VAL A 58 -24.991 11.831 -12.439 1.00 0.00 N ATOM 853 CA VAL A 58 -24.911 13.206 -11.962 1.00 0.00 C ATOM 854 C VAL A 58 -25.856 14.114 -12.741 1.00 0.00 C ATOM 855 O VAL A 58 -26.207 15.202 -12.282 1.00 0.00 O ATOM 856 CB VAL A 58 -23.477 13.757 -12.076 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.578 13.129 -11.022 1.00 0.00 C ATOM 858 CG2 VAL A 58 -22.924 13.516 -13.472 1.00 0.00 C ATOM 0 H VAL A 58 -24.698 11.703 -13.408 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.206 13.195 -10.913 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.505 14.833 -11.901 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.569 13.530 -11.118 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -22.966 13.358 -10.030 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.553 12.048 -11.162 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.910 13.911 -13.535 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.909 12.446 -13.678 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.555 14.018 -14.205 1.00 0.00 H new ATOM 868 N LEU A 59 -26.265 13.661 -13.920 1.00 0.00 N ATOM 869 CA LEU A 59 -27.171 14.432 -14.764 1.00 0.00 C ATOM 870 C LEU A 59 -28.626 14.110 -14.438 1.00 0.00 C ATOM 871 O LEU A 59 -28.988 12.949 -14.251 1.00 0.00 O ATOM 872 CB LEU A 59 -26.892 14.146 -16.241 1.00 0.00 C ATOM 873 CG LEU A 59 -25.563 14.669 -16.787 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.440 14.366 -18.272 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.433 16.164 -16.533 1.00 0.00 C ATOM 0 H LEU A 59 -25.984 12.763 -14.314 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.999 15.490 -14.566 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.925 13.067 -16.394 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.700 14.577 -16.833 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.752 14.160 -16.265 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.488 14.746 -18.643 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.487 13.288 -18.429 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.257 14.847 -18.810 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.481 16.519 -16.928 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.250 16.689 -17.028 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.475 16.356 -15.461 1.00 0.00 H new ATOM 887 N ASN A 60 -29.455 15.146 -14.373 1.00 0.00 N ATOM 888 CA ASN A 60 -30.872 14.973 -14.071 1.00 0.00 C ATOM 889 C ASN A 60 -31.607 14.344 -15.251 1.00 0.00 C ATOM 890 O ASN A 60 -31.090 14.302 -16.367 1.00 0.00 O ATOM 891 CB ASN A 60 -31.507 16.320 -13.719 1.00 0.00 C ATOM 892 CG ASN A 60 -31.251 17.375 -14.778 1.00 0.00 C ATOM 893 OD1 ASN A 60 -31.859 17.358 -15.848 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.345 18.300 -14.483 1.00 0.00 N ATOM 0 H ASN A 60 -29.171 16.114 -14.525 1.00 0.00 H new ATOM 0 HA ASN A 60 -30.957 14.304 -13.215 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.582 16.190 -13.592 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.113 16.666 -12.763 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.129 19.035 -15.156 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -29.865 18.275 -13.583 1.00 0.00 H new ATOM 901 N GLY A 61 -32.817 13.856 -14.995 1.00 0.00 N ATOM 902 CA GLY A 61 -33.604 13.237 -16.045 1.00 0.00 C ATOM 903 C GLY A 61 -33.722 14.114 -17.276 1.00 0.00 C ATOM 904 O GLY A 61 -33.704 13.619 -18.403 1.00 0.00 O ATOM 0 H GLY A 61 -33.266 13.878 -14.079 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.149 12.286 -16.323 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.601 13.015 -15.664 1.00 0.00 H new ATOM 908 N ALA A 62 -33.843 15.419 -17.061 1.00 0.00 N ATOM 909 CA ALA A 62 -33.964 16.367 -18.162 1.00 0.00 C ATOM 910 C ALA A 62 -32.732 16.325 -19.060 1.00 0.00 C ATOM 911 O ALA A 62 -32.841 16.113 -20.267 1.00 0.00 O ATOM 912 CB ALA A 62 -34.181 17.774 -17.625 1.00 0.00 C ATOM 0 H ALA A 62 -33.860 15.845 -16.134 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.828 16.082 -18.762 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.270 18.472 -18.458 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.095 17.800 -17.031 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.334 18.060 -17.001 1.00 0.00 H new ATOM 918 N GLN A 63 -31.563 16.529 -18.462 1.00 0.00 N ATOM 919 CA GLN A 63 -30.311 16.516 -19.210 1.00 0.00 C ATOM 920 C GLN A 63 -30.097 15.167 -19.888 1.00 0.00 C ATOM 921 O GLN A 63 -29.773 15.101 -21.075 1.00 0.00 O ATOM 922 CB GLN A 63 -29.135 16.827 -18.282 1.00 0.00 C ATOM 923 CG GLN A 63 -29.209 18.206 -17.647 1.00 0.00 C ATOM 924 CD GLN A 63 -28.202 19.174 -18.235 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.458 19.832 -17.507 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.173 19.267 -19.559 1.00 0.00 N ATOM 0 H GLN A 63 -31.456 16.705 -17.463 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.369 17.284 -19.981 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.096 16.075 -17.494 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.206 16.745 -18.846 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.213 18.609 -17.778 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.038 18.117 -16.574 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.808 18.703 -20.124 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.516 19.903 -20.011 1.00 0.00 H new ATOM 935 N LEU A 64 -30.278 14.093 -19.128 1.00 0.00 N ATOM 936 CA LEU A 64 -30.104 12.744 -19.655 1.00 0.00 C ATOM 937 C LEU A 64 -31.032 12.499 -20.841 1.00 0.00 C ATOM 938 O LEU A 64 -30.658 11.836 -21.809 1.00 0.00 O ATOM 939 CB LEU A 64 -30.371 11.709 -18.561 1.00 0.00 C ATOM 940 CG LEU A 64 -30.337 10.244 -19.000 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.447 9.430 -18.074 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.744 9.666 -19.036 1.00 0.00 C ATOM 0 H LEU A 64 -30.545 14.130 -18.144 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.074 12.644 -19.997 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.634 11.848 -17.770 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.349 11.914 -18.125 1.00 0.00 H new ATOM 0 HG LEU A 64 -29.920 10.195 -20.006 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.435 8.391 -18.402 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.433 9.830 -18.099 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.834 9.485 -17.056 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.701 8.623 -19.350 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.188 9.728 -18.043 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.352 10.233 -19.741 1.00 0.00 H new ATOM 954 N PHE A 65 -32.243 13.039 -20.759 1.00 0.00 N ATOM 955 CA PHE A 65 -33.225 12.881 -21.825 1.00 0.00 C ATOM 956 C PHE A 65 -32.777 13.607 -23.090 1.00 0.00 C ATOM 957 O PHE A 65 -33.217 13.284 -24.193 1.00 0.00 O ATOM 958 CB PHE A 65 -34.588 13.410 -21.375 1.00 0.00 C ATOM 959 CG PHE A 65 -35.412 12.394 -20.638 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.803 11.397 -19.893 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.797 12.436 -20.690 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.559 10.461 -19.213 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.557 11.503 -20.011 1.00 0.00 C ATOM 964 CZ PHE A 65 -36.938 10.513 -19.273 1.00 0.00 C ATOM 0 H PHE A 65 -32.568 13.590 -19.965 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.312 11.818 -22.049 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.438 14.279 -20.734 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.143 13.751 -22.249 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.725 11.351 -19.843 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.287 13.206 -21.267 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.072 9.689 -18.635 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.635 11.548 -20.057 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.531 9.781 -18.744 1.00 0.00 H new ATOM 974 N SER A 66 -31.899 14.590 -22.920 1.00 0.00 N ATOM 975 CA SER A 66 -31.393 15.366 -24.047 1.00 0.00 C ATOM 976 C SER A 66 -30.334 14.582 -24.816 1.00 0.00 C ATOM 977 O SER A 66 -30.181 14.746 -26.027 1.00 0.00 O ATOM 978 CB SER A 66 -30.807 16.692 -23.558 1.00 0.00 C ATOM 979 OG SER A 66 -30.844 17.674 -24.579 1.00 0.00 O ATOM 0 H SER A 66 -31.523 14.868 -22.013 1.00 0.00 H new ATOM 0 HA SER A 66 -32.227 15.571 -24.718 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.367 17.043 -22.691 1.00 0.00 H new ATOM 0 HB3 SER A 66 -29.778 16.540 -23.232 1.00 0.00 H new ATOM 0 HG SER A 66 -30.465 18.512 -24.241 1.00 0.00 H new ATOM 985 N LEU A 67 -29.606 13.729 -24.104 1.00 0.00 N ATOM 986 CA LEU A 67 -28.560 12.918 -24.717 1.00 0.00 C ATOM 987 C LEU A 67 -29.164 11.820 -25.587 1.00 0.00 C ATOM 988 O LEU A 67 -30.095 11.130 -25.176 1.00 0.00 O ATOM 989 CB LEU A 67 -27.669 12.299 -23.639 1.00 0.00 C ATOM 990 CG LEU A 67 -27.082 13.270 -22.614 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.321 12.513 -21.537 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.177 14.284 -23.298 1.00 0.00 C ATOM 0 H LEU A 67 -29.721 13.581 -23.101 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.955 13.567 -25.350 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.249 11.546 -23.106 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.846 11.779 -24.130 1.00 0.00 H new ATOM 0 HG LEU A 67 -27.903 13.808 -22.139 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -25.910 13.220 -20.816 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -26.998 11.827 -21.027 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.509 11.948 -21.994 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.768 14.967 -22.554 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.361 13.763 -23.800 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.752 14.849 -24.031 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.624 11.663 -26.792 1.00 0.00 N ATOM 1005 CA ASN A 68 -29.108 10.647 -27.719 1.00 0.00 C ATOM 1006 C ASN A 68 -28.117 9.492 -27.827 1.00 0.00 C ATOM 1007 O ASN A 68 -27.157 9.409 -27.060 1.00 0.00 O ATOM 1008 CB ASN A 68 -29.346 11.260 -29.101 1.00 0.00 C ATOM 1009 CG ASN A 68 -28.051 11.563 -29.830 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -27.650 10.833 -30.736 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -27.389 12.645 -29.435 1.00 0.00 N ATOM 0 H ASN A 68 -27.852 12.226 -27.148 1.00 0.00 H new ATOM 0 HA ASN A 68 -30.051 10.259 -27.333 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -29.946 10.575 -29.701 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.923 12.179 -28.994 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -26.511 12.899 -29.887 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.759 13.222 -28.679 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.356 8.602 -28.784 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.484 7.452 -28.995 1.00 0.00 C ATOM 1020 C LYS A 69 -26.028 7.889 -29.122 1.00 0.00 C ATOM 1021 O LYS A 69 -25.115 7.157 -28.738 1.00 0.00 O ATOM 1022 CB LYS A 69 -27.909 6.688 -30.251 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.483 5.230 -30.249 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.689 4.587 -31.610 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.536 3.075 -31.542 1.00 0.00 C ATOM 1026 NZ LYS A 69 -28.180 2.399 -32.702 1.00 0.00 N ATOM 0 H LYS A 69 -29.147 8.655 -29.426 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.574 6.796 -28.129 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -28.993 6.741 -30.349 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.486 7.180 -31.126 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.433 5.157 -29.966 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -28.054 4.684 -29.498 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.682 4.837 -31.985 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -26.969 4.995 -32.319 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.477 2.818 -31.514 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -27.978 2.707 -30.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -28.053 1.370 -32.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -29.195 2.623 -32.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -27.741 2.731 -33.585 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.819 9.085 -29.661 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.473 9.620 -29.835 1.00 0.00 C ATOM 1042 C ASP A 70 -23.940 10.188 -28.524 1.00 0.00 C ATOM 1043 O ASP A 70 -22.920 9.732 -28.009 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.469 10.704 -30.914 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.461 10.424 -32.012 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -22.266 10.726 -31.810 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -23.867 9.904 -33.072 1.00 0.00 O ATOM 0 H ASP A 70 -26.564 9.702 -29.985 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.821 8.804 -30.147 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.465 10.782 -31.350 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.245 11.668 -30.456 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.637 11.186 -27.990 1.00 0.00 N ATOM 1053 CA GLU A 71 -24.232 11.817 -26.740 1.00 0.00 C ATOM 1054 C GLU A 71 -23.986 10.770 -25.657 1.00 0.00 C ATOM 1055 O GLU A 71 -22.970 10.807 -24.961 1.00 0.00 O ATOM 1056 CB GLU A 71 -25.300 12.808 -26.273 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.614 13.890 -27.292 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.940 15.209 -26.969 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -23.747 15.364 -27.303 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -25.606 16.087 -26.381 1.00 0.00 O ATOM 0 H GLU A 71 -25.485 11.575 -28.404 1.00 0.00 H new ATOM 0 HA GLU A 71 -23.301 12.355 -26.920 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -26.215 12.262 -26.042 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.968 13.278 -25.347 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -25.297 13.556 -28.280 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.693 14.039 -27.337 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.922 9.838 -25.519 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.808 8.781 -24.521 1.00 0.00 C ATOM 1069 C LEU A 72 -23.638 7.856 -24.839 1.00 0.00 C ATOM 1070 O LEU A 72 -23.041 7.262 -23.940 1.00 0.00 O ATOM 1071 CB LEU A 72 -26.106 7.974 -24.454 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.206 8.546 -23.558 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.578 8.263 -24.151 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -27.102 7.973 -22.153 1.00 0.00 C ATOM 0 H LEU A 72 -25.769 9.793 -26.086 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.626 9.248 -23.553 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.502 7.876 -25.465 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.868 6.969 -24.106 1.00 0.00 H new ATOM 0 HG LEU A 72 -27.074 9.626 -23.498 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.348 8.677 -23.500 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.650 8.723 -25.137 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.720 7.186 -24.242 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.893 8.391 -21.530 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.207 6.889 -22.193 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.131 8.228 -21.727 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.313 7.741 -26.122 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.212 6.889 -26.558 1.00 0.00 C ATOM 1088 C ARG A 73 -20.871 7.587 -26.352 1.00 0.00 C ATOM 1089 O ARG A 73 -19.835 6.935 -26.209 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.383 6.514 -28.031 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.189 5.774 -28.613 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.620 4.757 -29.659 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.591 3.749 -29.897 1.00 0.00 N ATOM 1094 CZ ARG A 73 -19.513 3.960 -30.644 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -19.324 5.138 -31.222 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -18.621 2.992 -30.814 1.00 0.00 N ATOM 0 H ARG A 73 -23.796 8.227 -26.878 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.226 5.981 -25.955 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.272 5.893 -28.138 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.556 7.421 -28.611 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.500 6.489 -29.062 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.648 5.268 -27.813 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.538 4.268 -29.333 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.847 5.271 -30.593 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.706 2.832 -29.466 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -20.007 5.885 -31.094 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.496 5.298 -31.795 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.763 2.084 -30.371 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.794 3.156 -31.388 1.00 0.00 H new ATOM 1110 N THR A 74 -20.896 8.916 -26.338 1.00 0.00 N ATOM 1111 CA THR A 74 -19.683 9.702 -26.152 1.00 0.00 C ATOM 1112 C THR A 74 -19.310 9.795 -24.677 1.00 0.00 C ATOM 1113 O THR A 74 -18.138 9.945 -24.331 1.00 0.00 O ATOM 1114 CB THR A 74 -19.842 11.124 -26.720 1.00 0.00 C ATOM 1115 OG1 THR A 74 -21.226 11.402 -26.966 1.00 0.00 O ATOM 1116 CG2 THR A 74 -19.052 11.283 -28.010 1.00 0.00 C ATOM 0 H THR A 74 -21.744 9.471 -26.453 1.00 0.00 H new ATOM 0 HA THR A 74 -18.888 9.190 -26.694 1.00 0.00 H new ATOM 0 HB THR A 74 -19.455 11.830 -25.985 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.556 10.815 -27.678 1.00 0.00 H new ATOM 0 HG21 THR A 74 -19.180 12.296 -28.392 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.995 11.100 -27.815 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.414 10.568 -28.749 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.314 9.704 -23.810 1.00 0.00 N ATOM 1125 CA VAL A 75 -20.090 9.777 -22.371 1.00 0.00 C ATOM 1126 C VAL A 75 -19.671 8.422 -21.811 1.00 0.00 C ATOM 1127 O VAL A 75 -18.883 8.346 -20.868 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.353 10.257 -21.631 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.522 9.325 -21.909 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -21.086 10.361 -20.137 1.00 0.00 C ATOM 0 H VAL A 75 -21.290 9.580 -24.079 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.288 10.497 -22.211 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.615 11.248 -22.000 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.405 9.680 -21.378 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.726 9.306 -22.980 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.274 8.319 -21.569 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -21.988 10.701 -19.629 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.798 9.383 -19.750 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.280 11.073 -19.960 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.201 7.356 -22.399 1.00 0.00 N ATOM 1141 CA CYS A 76 -19.881 6.002 -21.959 1.00 0.00 C ATOM 1142 C CYS A 76 -20.057 5.004 -23.099 1.00 0.00 C ATOM 1143 O CYS A 76 -20.744 5.266 -24.086 1.00 0.00 O ATOM 1144 CB CYS A 76 -20.767 5.606 -20.777 1.00 0.00 C ATOM 1145 SG CYS A 76 -20.098 6.075 -19.164 1.00 0.00 S ATOM 0 H CYS A 76 -20.854 7.402 -23.181 1.00 0.00 H new ATOM 0 HA CYS A 76 -18.838 5.985 -21.644 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -21.747 6.068 -20.900 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -20.919 4.527 -20.796 1.00 0.00 H new ATOM 0 HG CYS A 76 -19.308 7.098 -19.303 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.419 3.832 -22.963 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.489 2.771 -23.972 1.00 0.00 C ATOM 1153 C PRO A 77 -20.869 2.125 -24.040 1.00 0.00 C ATOM 1154 O PRO A 77 -21.238 1.535 -25.055 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.447 1.757 -23.494 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.347 1.981 -22.024 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.583 3.451 -21.812 1.00 0.00 C ATOM 0 HA PRO A 77 -19.304 3.152 -24.976 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.756 0.736 -23.719 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.487 1.915 -23.985 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.086 1.386 -21.487 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.367 1.685 -21.650 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.089 3.644 -20.866 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.647 4.010 -21.793 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.626 2.241 -22.953 1.00 0.00 N ATOM 1166 CA GLU A 78 -22.965 1.667 -22.891 1.00 0.00 C ATOM 1167 C GLU A 78 -24.019 2.706 -23.263 1.00 0.00 C ATOM 1168 O GLU A 78 -25.167 2.624 -22.827 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.244 1.118 -21.491 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.118 0.262 -20.937 1.00 0.00 C ATOM 1171 CD GLU A 78 -21.586 -0.731 -21.953 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -22.403 -1.310 -22.699 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -20.354 -0.927 -22.002 1.00 0.00 O ATOM 0 H GLU A 78 -21.335 2.727 -22.105 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.017 0.849 -23.610 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.423 1.952 -20.812 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.159 0.527 -21.518 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.305 0.908 -20.606 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.475 -0.277 -20.060 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.620 3.683 -24.071 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.542 4.724 -24.487 1.00 0.00 C ATOM 1182 C GLY A 79 -25.723 4.177 -25.263 1.00 0.00 C ATOM 1183 O GLY A 79 -26.873 4.347 -24.858 1.00 0.00 O ATOM 0 H GLY A 79 -22.675 3.772 -24.445 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.904 5.257 -23.608 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.011 5.450 -25.103 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.441 3.519 -26.382 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.489 2.944 -27.216 1.00 0.00 C ATOM 1189 C ALA A 80 -27.388 2.016 -26.406 1.00 0.00 C ATOM 1190 O ALA A 80 -28.555 1.817 -26.744 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.878 2.196 -28.392 1.00 0.00 C ATOM 0 H ALA A 80 -24.495 3.371 -26.732 1.00 0.00 H new ATOM 0 HA ALA A 80 -27.103 3.760 -27.598 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.673 1.772 -29.006 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.284 2.885 -28.992 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.239 1.394 -28.021 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.837 1.451 -25.337 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.589 0.542 -24.481 1.00 0.00 C ATOM 1199 C ARG A 81 -28.496 1.318 -23.529 1.00 0.00 C ATOM 1200 O ARG A 81 -29.544 0.824 -23.113 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.635 -0.347 -23.682 1.00 0.00 C ATOM 1202 CG ARG A 81 -25.650 -1.116 -24.548 1.00 0.00 C ATOM 1203 CD ARG A 81 -26.271 -2.388 -25.103 1.00 0.00 C ATOM 1204 NE ARG A 81 -25.422 -3.017 -26.111 1.00 0.00 N ATOM 1205 CZ ARG A 81 -24.334 -3.721 -25.819 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -23.965 -3.886 -24.556 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -23.612 -4.264 -26.792 1.00 0.00 N ATOM 0 H ARG A 81 -25.873 1.607 -25.043 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.211 -0.086 -25.118 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.080 0.272 -22.977 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.219 -1.055 -23.094 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.317 -0.484 -25.371 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -24.767 -1.367 -23.961 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -26.448 -3.090 -24.288 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.242 -2.156 -25.540 1.00 0.00 H new ATOM 0 HE ARG A 81 -25.678 -2.910 -27.092 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -24.517 -3.472 -23.805 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -23.129 -4.427 -24.335 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -23.893 -4.141 -27.765 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -22.777 -4.804 -26.567 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.084 2.534 -23.187 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.858 3.378 -22.285 1.00 0.00 C ATOM 1223 C VAL A 82 -29.932 4.151 -23.041 1.00 0.00 C ATOM 1224 O VAL A 82 -31.080 4.230 -22.602 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.954 4.376 -21.536 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.785 5.276 -20.634 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.893 3.637 -20.735 1.00 0.00 C ATOM 0 H VAL A 82 -27.218 2.957 -23.521 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.333 2.715 -21.562 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.449 5.004 -22.270 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -28.130 5.974 -20.113 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.502 5.833 -21.237 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.319 4.667 -19.905 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.264 4.358 -20.213 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.375 2.983 -20.009 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.278 3.040 -21.409 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.553 4.719 -24.180 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.484 5.487 -24.998 1.00 0.00 C ATOM 1239 C TYR A 83 -31.741 4.677 -25.300 1.00 0.00 C ATOM 1240 O TYR A 83 -32.860 5.170 -25.156 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.814 5.915 -26.305 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.742 6.645 -27.250 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.155 7.945 -26.985 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.204 6.035 -28.410 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.003 8.614 -27.845 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.051 6.697 -29.277 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.448 7.987 -28.990 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.292 8.651 -29.851 1.00 0.00 O ATOM 0 H TYR A 83 -28.607 4.662 -24.558 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.773 6.376 -24.437 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -28.964 6.558 -26.075 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.419 5.032 -26.807 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.807 8.441 -26.091 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -30.895 5.025 -28.638 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.316 9.623 -27.622 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.401 6.208 -30.174 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.510 8.069 -30.609 1.00 0.00 H new ATOM 1258 N SER A 84 -31.548 3.431 -25.719 1.00 0.00 N ATOM 1259 CA SER A 84 -32.665 2.552 -26.044 1.00 0.00 C ATOM 1260 C SER A 84 -33.575 2.360 -24.835 1.00 0.00 C ATOM 1261 O SER A 84 -34.744 2.002 -24.976 1.00 0.00 O ATOM 1262 CB SER A 84 -32.149 1.195 -26.529 1.00 0.00 C ATOM 1263 OG SER A 84 -33.037 0.619 -27.471 1.00 0.00 O ATOM 0 H SER A 84 -30.628 3.007 -25.842 1.00 0.00 H new ATOM 0 HA SER A 84 -33.243 3.019 -26.841 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.164 1.317 -26.980 1.00 0.00 H new ATOM 0 HB3 SER A 84 -32.029 0.523 -25.679 1.00 0.00 H new ATOM 0 HG SER A 84 -32.684 -0.246 -27.767 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.030 2.602 -23.647 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.792 2.455 -22.413 1.00 0.00 C ATOM 1271 C GLN A 85 -34.466 3.769 -22.030 1.00 0.00 C ATOM 1272 O GLN A 85 -35.461 3.778 -21.305 1.00 0.00 O ATOM 1273 CB GLN A 85 -32.880 1.986 -21.278 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.635 0.486 -21.275 1.00 0.00 C ATOM 1275 CD GLN A 85 -33.922 -0.316 -21.261 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.533 -0.514 -20.211 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -34.341 -0.782 -22.432 1.00 0.00 N ATOM 0 H GLN A 85 -32.064 2.901 -23.513 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.566 1.706 -22.580 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -31.923 2.502 -21.355 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.322 2.275 -20.325 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.052 0.215 -22.155 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.037 0.221 -20.403 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -33.803 -0.594 -23.278 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.201 -1.328 -22.485 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.917 4.874 -22.522 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.466 6.193 -22.232 1.00 0.00 C ATOM 1288 C ILE A 86 -35.545 6.574 -23.241 1.00 0.00 C ATOM 1289 O ILE A 86 -36.493 7.288 -22.913 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.369 7.274 -22.238 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.272 6.923 -21.230 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -33.967 8.637 -21.926 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -30.990 7.698 -21.438 1.00 0.00 C ATOM 0 H ILE A 86 -33.093 4.883 -23.123 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.906 6.139 -21.236 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.924 7.314 -23.232 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.642 7.112 -20.222 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.057 5.856 -21.296 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.179 9.390 -21.934 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.715 8.887 -22.678 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.435 8.612 -20.942 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.258 7.398 -20.688 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.597 7.490 -22.433 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.190 8.765 -21.343 1.00 0.00 H new ATOM 1305 N THR A 87 -35.394 6.091 -24.470 1.00 0.00 N ATOM 1306 CA THR A 87 -36.355 6.380 -25.527 1.00 0.00 C ATOM 1307 C THR A 87 -37.767 5.987 -25.109 1.00 0.00 C ATOM 1308 O THR A 87 -38.739 6.655 -25.465 1.00 0.00 O ATOM 1309 CB THR A 87 -35.994 5.642 -26.831 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.960 5.940 -27.845 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.937 4.139 -26.604 1.00 0.00 C ATOM 0 H THR A 87 -34.616 5.498 -24.758 1.00 0.00 H new ATOM 0 HA THR A 87 -36.317 7.455 -25.703 1.00 0.00 H new ATOM 0 HB THR A 87 -35.010 5.982 -27.155 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.723 5.469 -28.671 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.681 3.639 -27.538 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.181 3.913 -25.852 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.909 3.786 -26.259 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.875 4.901 -24.351 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.169 4.421 -23.883 1.00 0.00 C ATOM 1321 C VAL A 88 -39.751 5.353 -22.826 1.00 0.00 C ATOM 1322 O VAL A 88 -40.967 5.429 -22.654 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.062 3.000 -23.296 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.136 2.989 -22.090 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.440 2.472 -22.926 1.00 0.00 C ATOM 0 H VAL A 88 -37.081 4.337 -24.048 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.831 4.400 -24.749 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.638 2.343 -24.055 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.073 1.977 -21.689 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.143 3.323 -22.391 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.528 3.659 -21.325 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.346 1.468 -22.513 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.894 3.129 -22.184 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.069 2.441 -23.816 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.874 6.059 -22.120 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.302 6.987 -21.079 1.00 0.00 C ATOM 1337 C GLN A 89 -39.828 8.282 -21.688 1.00 0.00 C ATOM 1338 O GLN A 89 -40.898 8.766 -21.316 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.142 7.290 -20.129 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.459 6.044 -19.586 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.429 5.094 -18.912 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.438 3.895 -19.193 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.253 5.625 -18.016 1.00 0.00 N ATOM 0 H GLN A 89 -37.864 6.007 -22.249 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.109 6.517 -20.517 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.405 7.900 -20.652 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.513 7.884 -19.294 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -36.956 5.525 -20.402 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.689 6.338 -18.873 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.211 6.624 -17.814 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -39.927 5.034 -17.530 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.069 8.842 -22.624 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.458 10.082 -23.285 1.00 0.00 C ATOM 1354 C LYS A 90 -40.762 9.901 -24.056 1.00 0.00 C ATOM 1355 O LYS A 90 -41.653 10.747 -23.994 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.352 10.546 -24.235 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.100 11.027 -23.521 1.00 0.00 C ATOM 1358 CD LYS A 90 -35.854 10.779 -24.354 1.00 0.00 C ATOM 1359 CE LYS A 90 -35.802 11.696 -25.566 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.585 11.149 -26.709 1.00 0.00 N ATOM 0 H LYS A 90 -38.180 8.456 -22.942 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.612 10.841 -22.518 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.088 9.724 -24.901 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -38.736 11.352 -24.860 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.189 12.092 -23.306 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -37.007 10.515 -22.563 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -34.967 10.936 -23.740 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -35.835 9.740 -24.682 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.191 12.678 -25.296 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.765 11.837 -25.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -36.046 11.272 -27.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.766 10.137 -26.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.490 11.656 -26.784 1.00 0.00 H new