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 49 ASN : amide:sc= -1.09 K(o=-0.14,f=-4.3!) USER MOD Set 1.2: A 52 THR OG1 : rot 85:sc= 1.14 USER MOD Set 1.3: A 76 CYS SG : rot -12:sc= -0.196 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 34 SER OG : rot -120:sc= 1 USER MOD Single : A 29 ASN : amide:sc= -2.14 X(o=-2.1,f=-1.7) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -99:sc= 0.16 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= -0.159 K(o=-0.16,f=-2.1!) 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 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.88! C(o=-2.9!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.0945 X(o=-0.094,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.059) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 77:sc= 0.761 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= -1.11 X(o=-1.1,f=-0.89) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.1! C(o=-2.1!,f=-3.9!) USER MOD Single : A 90 LYS NZ :NH3+ -149:sc= -0.225 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.409 1.139 -11.405 1.00 0.00 N ATOM 391 CA ILE A 28 -37.845 2.483 -11.420 1.00 0.00 C ATOM 392 C ILE A 28 -38.084 3.164 -12.762 1.00 0.00 C ATOM 393 O ILE A 28 -38.081 2.517 -13.808 1.00 0.00 O ATOM 394 CB ILE A 28 -36.332 2.461 -11.130 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.042 1.634 -9.876 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.804 3.879 -10.969 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.643 2.216 -8.616 1.00 0.00 C ATOM 0 HA ILE A 28 -38.349 3.046 -10.635 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.822 1.997 -11.974 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.427 0.624 -10.020 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.963 1.549 -9.748 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.734 3.848 -10.765 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -35.982 4.440 -11.887 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.318 4.367 -10.140 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.397 1.578 -7.767 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.240 3.215 -8.448 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.726 2.276 -8.723 1.00 0.00 H new ATOM 409 N ASN A 29 -38.291 4.477 -12.725 1.00 0.00 N ATOM 410 CA ASN A 29 -38.531 5.248 -13.939 1.00 0.00 C ATOM 411 C ASN A 29 -38.092 6.698 -13.759 1.00 0.00 C ATOM 412 O ASN A 29 -38.026 7.202 -12.637 1.00 0.00 O ATOM 413 CB ASN A 29 -40.012 5.194 -14.318 1.00 0.00 C ATOM 414 CG ASN A 29 -40.546 3.776 -14.364 1.00 0.00 C ATOM 415 OD1 ASN A 29 -40.543 3.133 -15.414 1.00 0.00 O ATOM 416 ND2 ASN A 29 -41.008 3.280 -13.222 1.00 0.00 N ATOM 0 H ASN A 29 -38.297 5.029 -11.867 1.00 0.00 H new ATOM 0 HA ASN A 29 -37.941 4.806 -14.742 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.590 5.774 -13.598 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.152 5.664 -15.291 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -41.380 2.331 -13.192 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -40.991 3.848 -12.375 1.00 0.00 H new ATOM 423 N ILE A 30 -37.795 7.363 -14.870 1.00 0.00 N ATOM 424 CA ILE A 30 -37.365 8.755 -14.834 1.00 0.00 C ATOM 425 C ILE A 30 -38.162 9.602 -15.821 1.00 0.00 C ATOM 426 O ILE A 30 -38.695 9.091 -16.806 1.00 0.00 O ATOM 427 CB ILE A 30 -35.865 8.890 -15.154 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.504 8.041 -16.375 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.028 8.480 -13.951 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.035 8.095 -16.735 1.00 0.00 C ATOM 0 H ILE A 30 -37.844 6.960 -15.806 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.545 9.115 -13.821 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.649 9.934 -15.383 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.785 7.005 -16.184 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.092 8.378 -17.229 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.970 8.581 -14.193 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.270 9.122 -13.104 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.244 7.443 -13.694 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.851 7.470 -17.609 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.753 9.124 -16.958 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.441 7.730 -15.897 1.00 0.00 H new ATOM 442 N THR A 31 -38.237 10.902 -15.551 1.00 0.00 N ATOM 443 CA THR A 31 -38.967 11.821 -16.415 1.00 0.00 C ATOM 444 C THR A 31 -38.147 13.074 -16.703 1.00 0.00 C ATOM 445 O THR A 31 -37.031 13.225 -16.206 1.00 0.00 O ATOM 446 CB THR A 31 -40.311 12.234 -15.786 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.150 12.448 -14.380 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.370 11.168 -16.024 1.00 0.00 C ATOM 0 H THR A 31 -37.801 11.342 -14.741 1.00 0.00 H new ATOM 0 HA THR A 31 -39.158 11.293 -17.349 1.00 0.00 H new ATOM 0 HB THR A 31 -40.638 13.160 -16.258 1.00 0.00 H new ATOM 0 HG1 THR A 31 -41.009 12.712 -13.989 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.310 11.482 -15.571 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.512 11.029 -17.096 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.047 10.228 -15.576 1.00 0.00 H new ATOM 456 N TYR A 32 -38.708 13.970 -17.507 1.00 0.00 N ATOM 457 CA TYR A 32 -38.028 15.209 -17.863 1.00 0.00 C ATOM 458 C TYR A 32 -37.844 16.100 -16.638 1.00 0.00 C ATOM 459 O TYR A 32 -37.031 17.025 -16.645 1.00 0.00 O ATOM 460 CB TYR A 32 -38.816 15.958 -18.939 1.00 0.00 C ATOM 461 CG TYR A 32 -38.327 15.691 -20.344 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.046 16.058 -20.736 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.145 15.070 -21.279 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.595 15.817 -22.020 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.702 14.823 -22.564 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.426 15.199 -22.930 1.00 0.00 C ATOM 467 OH TYR A 32 -36.980 14.955 -24.209 1.00 0.00 O ATOM 0 H TYR A 32 -39.632 13.861 -17.925 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.044 14.954 -18.256 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.867 15.677 -18.870 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.759 17.028 -18.741 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.391 16.540 -20.025 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.145 14.775 -20.997 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.597 16.111 -22.309 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.351 14.338 -23.278 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.687 14.512 -24.723 1.00 0.00 H new ATOM 477 N ASP A 33 -38.606 15.815 -15.588 1.00 0.00 N ATOM 478 CA ASP A 33 -38.528 16.589 -14.354 1.00 0.00 C ATOM 479 C ASP A 33 -38.031 15.723 -13.200 1.00 0.00 C ATOM 480 O ASP A 33 -38.520 15.829 -12.076 1.00 0.00 O ATOM 481 CB ASP A 33 -39.896 17.181 -14.011 1.00 0.00 C ATOM 482 CG ASP A 33 -40.251 18.364 -14.889 1.00 0.00 C ATOM 483 OD1 ASP A 33 -40.473 18.159 -16.101 1.00 0.00 O ATOM 484 OD2 ASP A 33 -40.307 19.496 -14.365 1.00 0.00 O ATOM 0 H ASP A 33 -39.285 15.054 -15.566 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.817 17.401 -14.508 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.659 16.410 -14.118 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.902 17.493 -12.966 1.00 0.00 H new ATOM 489 N SER A 34 -37.057 14.865 -13.488 1.00 0.00 N ATOM 490 CA SER A 34 -36.497 13.977 -12.476 1.00 0.00 C ATOM 491 C SER A 34 -35.201 14.548 -11.909 1.00 0.00 C ATOM 492 O SER A 34 -34.645 15.509 -12.443 1.00 0.00 O ATOM 493 CB SER A 34 -36.241 12.590 -13.069 1.00 0.00 C ATOM 494 OG SER A 34 -37.427 11.814 -13.082 1.00 0.00 O ATOM 0 H SER A 34 -36.640 14.766 -14.413 1.00 0.00 H new ATOM 0 HA SER A 34 -37.220 13.889 -11.665 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.857 12.690 -14.084 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.474 12.078 -12.487 1.00 0.00 H new ATOM 0 HG SER A 34 -37.293 11.003 -12.548 1.00 0.00 H new ATOM 500 N THR A 35 -34.722 13.949 -10.823 1.00 0.00 N ATOM 501 CA THR A 35 -33.492 14.397 -10.182 1.00 0.00 C ATOM 502 C THR A 35 -32.299 13.569 -10.644 1.00 0.00 C ATOM 503 O THR A 35 -32.436 12.424 -11.076 1.00 0.00 O ATOM 504 CB THR A 35 -33.596 14.315 -8.648 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.201 13.014 -8.199 1.00 0.00 O ATOM 506 CG2 THR A 35 -35.016 14.607 -8.185 1.00 0.00 C ATOM 0 H THR A 35 -35.168 13.152 -10.369 1.00 0.00 H new ATOM 0 HA THR A 35 -33.344 15.437 -10.473 1.00 0.00 H new ATOM 0 HB THR A 35 -32.930 15.064 -8.220 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.999 12.471 -8.028 1.00 0.00 H new ATOM 0 HG21 THR A 35 -35.065 14.543 -7.098 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.303 15.609 -8.503 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.698 13.878 -8.622 1.00 0.00 H new ATOM 514 N PRO A 36 -31.097 14.158 -10.553 1.00 0.00 N ATOM 515 CA PRO A 36 -29.855 13.492 -10.956 1.00 0.00 C ATOM 516 C PRO A 36 -29.477 12.353 -10.015 1.00 0.00 C ATOM 517 O PRO A 36 -28.548 11.594 -10.288 1.00 0.00 O ATOM 518 CB PRO A 36 -28.814 14.611 -10.887 1.00 0.00 C ATOM 519 CG PRO A 36 -29.364 15.581 -9.898 1.00 0.00 C ATOM 520 CD PRO A 36 -30.859 15.521 -10.048 1.00 0.00 C ATOM 0 HA PRO A 36 -29.940 13.031 -11.940 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.843 14.230 -10.570 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.670 15.078 -11.861 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.063 15.318 -8.884 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.992 16.588 -10.090 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.365 15.692 -9.098 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.224 16.277 -10.744 1.00 0.00 H new ATOM 528 N GLU A 37 -30.204 12.240 -8.907 1.00 0.00 N ATOM 529 CA GLU A 37 -29.942 11.194 -7.926 1.00 0.00 C ATOM 530 C GLU A 37 -30.819 9.972 -8.188 1.00 0.00 C ATOM 531 O GLU A 37 -30.467 8.852 -7.819 1.00 0.00 O ATOM 532 CB GLU A 37 -30.189 11.718 -6.510 1.00 0.00 C ATOM 533 CG GLU A 37 -29.142 11.270 -5.505 1.00 0.00 C ATOM 534 CD GLU A 37 -28.487 12.434 -4.787 1.00 0.00 C ATOM 535 OE1 GLU A 37 -29.223 13.290 -4.252 1.00 0.00 O ATOM 536 OE2 GLU A 37 -27.240 12.490 -4.760 1.00 0.00 O ATOM 0 H GLU A 37 -30.978 12.860 -8.667 1.00 0.00 H new ATOM 0 HA GLU A 37 -28.897 10.898 -8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.215 12.807 -6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -31.170 11.383 -6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -29.606 10.611 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.377 10.688 -6.018 1.00 0.00 H new ATOM 543 N ASP A 38 -31.961 10.197 -8.827 1.00 0.00 N ATOM 544 CA ASP A 38 -32.889 9.116 -9.140 1.00 0.00 C ATOM 545 C ASP A 38 -32.402 8.313 -10.342 1.00 0.00 C ATOM 546 O ASP A 38 -32.538 7.090 -10.381 1.00 0.00 O ATOM 547 CB ASP A 38 -34.285 9.676 -9.416 1.00 0.00 C ATOM 548 CG ASP A 38 -35.171 9.654 -8.187 1.00 0.00 C ATOM 549 OD1 ASP A 38 -35.780 8.598 -7.913 1.00 0.00 O ATOM 550 OD2 ASP A 38 -35.256 10.692 -7.498 1.00 0.00 O ATOM 0 H ASP A 38 -32.267 11.119 -9.139 1.00 0.00 H new ATOM 0 HA ASP A 38 -32.938 8.451 -8.277 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.197 10.700 -9.779 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.756 9.096 -10.210 1.00 0.00 H new ATOM 555 N VAL A 39 -31.835 9.009 -11.322 1.00 0.00 N ATOM 556 CA VAL A 39 -31.328 8.362 -12.526 1.00 0.00 C ATOM 557 C VAL A 39 -30.292 7.297 -12.183 1.00 0.00 C ATOM 558 O VAL A 39 -30.232 6.245 -12.819 1.00 0.00 O ATOM 559 CB VAL A 39 -30.697 9.384 -13.490 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.241 8.700 -14.770 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.680 10.504 -13.796 1.00 0.00 C ATOM 0 H VAL A 39 -31.715 10.022 -11.306 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.181 7.891 -13.015 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.822 9.820 -13.008 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.798 9.438 -15.439 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.501 7.936 -14.531 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -31.097 8.235 -15.259 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.218 11.217 -14.478 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.575 10.087 -14.258 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -31.953 11.012 -12.871 1.00 0.00 H new ATOM 571 N LYS A 40 -29.478 7.576 -11.171 1.00 0.00 N ATOM 572 CA LYS A 40 -28.444 6.643 -10.740 1.00 0.00 C ATOM 573 C LYS A 40 -29.037 5.266 -10.460 1.00 0.00 C ATOM 574 O LYS A 40 -28.490 4.245 -10.879 1.00 0.00 O ATOM 575 CB LYS A 40 -27.741 7.171 -9.487 1.00 0.00 C ATOM 576 CG LYS A 40 -26.248 6.895 -9.466 1.00 0.00 C ATOM 577 CD LYS A 40 -25.579 7.534 -8.260 1.00 0.00 C ATOM 578 CE LYS A 40 -24.441 8.453 -8.675 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.245 8.284 -7.804 1.00 0.00 N ATOM 0 H LYS A 40 -29.514 8.442 -10.633 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.716 6.549 -11.546 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -27.904 8.246 -9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -28.198 6.719 -8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -26.076 5.819 -9.451 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.794 7.277 -10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -26.316 8.101 -7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.197 6.755 -7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.168 8.248 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.777 9.489 -8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.492 8.928 -8.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.499 8.504 -6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.908 7.302 -7.863 1.00 0.00 H new ATOM 593 N THR A 41 -30.161 5.243 -9.749 1.00 0.00 N ATOM 594 CA THR A 41 -30.828 3.992 -9.414 1.00 0.00 C ATOM 595 C THR A 41 -31.548 3.411 -10.625 1.00 0.00 C ATOM 596 O THR A 41 -31.604 2.194 -10.801 1.00 0.00 O ATOM 597 CB THR A 41 -31.843 4.185 -8.272 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.175 4.657 -7.097 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.565 2.882 -7.963 1.00 0.00 C ATOM 0 H THR A 41 -30.628 6.078 -9.394 1.00 0.00 H new ATOM 0 HA THR A 41 -30.053 3.298 -9.088 1.00 0.00 H new ATOM 0 HB THR A 41 -32.579 4.923 -8.591 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.828 4.779 -6.376 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.277 3.043 -7.153 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.097 2.541 -8.851 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.839 2.126 -7.663 1.00 0.00 H new ATOM 607 N TRP A 42 -32.096 4.288 -11.459 1.00 0.00 N ATOM 608 CA TRP A 42 -32.812 3.861 -12.655 1.00 0.00 C ATOM 609 C TRP A 42 -31.900 3.062 -13.579 1.00 0.00 C ATOM 610 O TRP A 42 -32.337 2.110 -14.228 1.00 0.00 O ATOM 611 CB TRP A 42 -33.375 5.073 -13.398 1.00 0.00 C ATOM 612 CG TRP A 42 -34.121 4.712 -14.646 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.406 4.257 -14.730 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.627 4.773 -15.988 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.740 4.031 -16.044 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.666 4.341 -16.836 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.408 5.152 -16.557 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.521 4.279 -18.219 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.265 5.089 -17.930 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.317 4.656 -18.749 1.00 0.00 C ATOM 0 H TRP A 42 -32.058 5.299 -11.329 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.636 3.219 -12.344 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.041 5.621 -12.731 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.556 5.745 -13.655 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.063 4.098 -13.888 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.642 3.688 -16.376 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.592 5.488 -15.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.330 3.945 -18.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.327 5.378 -18.380 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.175 4.619 -19.819 1.00 0.00 H new ATOM 631 N LEU A 43 -30.632 3.453 -13.635 1.00 0.00 N ATOM 632 CA LEU A 43 -29.657 2.773 -14.481 1.00 0.00 C ATOM 633 C LEU A 43 -29.255 1.431 -13.876 1.00 0.00 C ATOM 634 O LEU A 43 -29.130 0.433 -14.585 1.00 0.00 O ATOM 635 CB LEU A 43 -28.419 3.650 -14.674 1.00 0.00 C ATOM 636 CG LEU A 43 -28.670 5.051 -15.233 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.785 6.071 -14.534 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.432 5.076 -16.736 1.00 0.00 C ATOM 0 H LEU A 43 -30.254 4.238 -13.104 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.119 2.590 -15.451 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.915 3.749 -13.713 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.732 3.132 -15.342 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.711 5.315 -15.046 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -27.977 7.062 -14.945 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -28.004 6.072 -13.466 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.738 5.811 -14.689 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.615 6.081 -17.117 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.401 4.791 -16.946 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.109 4.374 -17.223 1.00 0.00 H new ATOM 650 N GLN A 44 -29.055 1.416 -12.562 1.00 0.00 N ATOM 651 CA GLN A 44 -28.668 0.197 -11.863 1.00 0.00 C ATOM 652 C GLN A 44 -29.795 -0.831 -11.897 1.00 0.00 C ATOM 653 O GLN A 44 -29.562 -2.013 -12.146 1.00 0.00 O ATOM 654 CB GLN A 44 -28.293 0.512 -10.414 1.00 0.00 C ATOM 655 CG GLN A 44 -26.982 1.269 -10.276 1.00 0.00 C ATOM 656 CD GLN A 44 -25.789 0.346 -10.121 1.00 0.00 C ATOM 657 OE1 GLN A 44 -25.928 -0.801 -9.694 1.00 0.00 O ATOM 658 NE2 GLN A 44 -24.607 0.842 -10.467 1.00 0.00 N ATOM 0 H GLN A 44 -29.155 2.234 -11.961 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.801 -0.224 -12.372 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.091 1.099 -9.960 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.225 -0.421 -9.854 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.837 1.900 -11.153 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.039 1.932 -9.412 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.537 1.798 -10.816 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.769 0.267 -10.384 1.00 0.00 H new ATOM 667 N SER A 45 -31.016 -0.371 -11.644 1.00 0.00 N ATOM 668 CA SER A 45 -32.179 -1.251 -11.641 1.00 0.00 C ATOM 669 C SER A 45 -32.252 -2.058 -12.935 1.00 0.00 C ATOM 670 O SER A 45 -32.417 -3.277 -12.911 1.00 0.00 O ATOM 671 CB SER A 45 -33.461 -0.437 -11.461 1.00 0.00 C ATOM 672 OG SER A 45 -34.562 -1.074 -12.085 1.00 0.00 O ATOM 0 H SER A 45 -31.226 0.606 -11.438 1.00 0.00 H new ATOM 0 HA SER A 45 -32.078 -1.944 -10.806 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.667 -0.307 -10.398 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.326 0.559 -11.884 1.00 0.00 H new ATOM 0 HG SER A 45 -35.369 -0.534 -11.954 1.00 0.00 H new ATOM 678 N LYS A 46 -32.129 -1.367 -14.063 1.00 0.00 N ATOM 679 CA LYS A 46 -32.180 -2.016 -15.367 1.00 0.00 C ATOM 680 C LYS A 46 -31.066 -3.049 -15.505 1.00 0.00 C ATOM 681 O LYS A 46 -31.213 -4.045 -16.212 1.00 0.00 O ATOM 682 CB LYS A 46 -32.065 -0.974 -16.483 1.00 0.00 C ATOM 683 CG LYS A 46 -33.234 -0.006 -16.534 1.00 0.00 C ATOM 684 CD LYS A 46 -34.549 -0.731 -16.764 1.00 0.00 C ATOM 685 CE LYS A 46 -35.676 0.242 -17.074 1.00 0.00 C ATOM 686 NZ LYS A 46 -37.014 -0.394 -16.928 1.00 0.00 N ATOM 0 H LYS A 46 -31.993 -0.357 -14.100 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.139 -2.528 -15.453 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.142 -0.410 -16.348 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.987 -1.487 -17.441 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.285 0.554 -15.600 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.073 0.719 -17.332 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.438 -1.435 -17.589 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.804 -1.314 -15.879 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.608 1.101 -16.407 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.562 0.618 -18.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.755 0.302 -17.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -37.089 -1.199 -17.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -37.134 -0.730 -15.951 1.00 0.00 H new ATOM 700 N GLY A 47 -29.950 -2.804 -14.823 1.00 0.00 N ATOM 701 CA GLY A 47 -28.829 -3.723 -14.882 1.00 0.00 C ATOM 702 C GLY A 47 -27.695 -3.200 -15.743 1.00 0.00 C ATOM 703 O GLY A 47 -27.033 -3.966 -16.443 1.00 0.00 O ATOM 0 H GLY A 47 -29.803 -1.986 -14.232 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.460 -3.907 -13.873 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.169 -4.681 -15.276 1.00 0.00 H new ATOM 707 N PHE A 48 -27.472 -1.891 -15.692 1.00 0.00 N ATOM 708 CA PHE A 48 -26.413 -1.265 -16.475 1.00 0.00 C ATOM 709 C PHE A 48 -25.110 -1.210 -15.682 1.00 0.00 C ATOM 710 O PHE A 48 -25.121 -1.059 -14.461 1.00 0.00 O ATOM 711 CB PHE A 48 -26.826 0.146 -16.897 1.00 0.00 C ATOM 712 CG PHE A 48 -27.759 0.171 -18.074 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.280 -0.031 -19.359 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.114 0.396 -17.896 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.135 -0.009 -20.444 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.975 0.418 -18.978 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.485 0.217 -20.253 1.00 0.00 C ATOM 0 H PHE A 48 -28.010 -1.243 -15.117 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.250 -1.870 -17.367 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.305 0.643 -16.053 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.932 0.720 -17.140 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.226 -0.208 -19.514 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.503 0.556 -16.901 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.749 -0.168 -21.440 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -31.030 0.592 -18.826 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.155 0.236 -21.100 1.00 0.00 H new ATOM 727 N ASN A 49 -23.990 -1.335 -16.386 1.00 0.00 N ATOM 728 CA ASN A 49 -22.679 -1.300 -15.748 1.00 0.00 C ATOM 729 C ASN A 49 -22.525 -0.050 -14.888 1.00 0.00 C ATOM 730 O ASN A 49 -23.180 0.969 -15.107 1.00 0.00 O ATOM 731 CB ASN A 49 -21.573 -1.345 -16.805 1.00 0.00 C ATOM 732 CG ASN A 49 -21.490 -0.062 -17.610 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.394 0.773 -17.562 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.403 0.099 -18.354 1.00 0.00 N ATOM 0 H ASN A 49 -23.964 -1.461 -17.398 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.593 -2.175 -15.104 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.615 -1.527 -16.317 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.752 -2.183 -17.479 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.291 0.942 -18.917 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.680 -0.620 -18.362 1.00 0.00 H new ATOM 741 N PRO A 50 -21.638 -0.127 -13.885 1.00 0.00 N ATOM 742 CA PRO A 50 -21.376 0.990 -12.972 1.00 0.00 C ATOM 743 C PRO A 50 -20.648 2.141 -13.658 1.00 0.00 C ATOM 744 O PRO A 50 -20.787 3.299 -13.264 1.00 0.00 O ATOM 745 CB PRO A 50 -20.489 0.365 -11.892 1.00 0.00 C ATOM 746 CG PRO A 50 -19.827 -0.788 -12.565 1.00 0.00 C ATOM 747 CD PRO A 50 -20.821 -1.310 -13.565 1.00 0.00 C ATOM 0 HA PRO A 50 -22.298 1.426 -12.587 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.756 1.080 -11.519 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -21.079 0.038 -11.036 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.906 -0.476 -13.057 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.558 -1.559 -11.843 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.327 -1.709 -14.451 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.426 -2.115 -13.147 1.00 0.00 H new ATOM 755 N VAL A 51 -19.871 1.815 -14.686 1.00 0.00 N ATOM 756 CA VAL A 51 -19.122 2.822 -15.428 1.00 0.00 C ATOM 757 C VAL A 51 -20.058 3.841 -16.069 1.00 0.00 C ATOM 758 O VAL A 51 -19.660 4.970 -16.359 1.00 0.00 O ATOM 759 CB VAL A 51 -18.253 2.180 -16.526 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.505 3.248 -17.309 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.284 1.177 -15.918 1.00 0.00 C ATOM 0 H VAL A 51 -19.744 0.861 -15.024 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.475 3.327 -14.711 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.906 1.648 -17.218 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.897 2.775 -18.080 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.220 3.925 -17.776 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.861 3.811 -16.633 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.678 0.733 -16.707 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.635 1.685 -15.204 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.844 0.394 -15.406 1.00 0.00 H new ATOM 771 N THR A 52 -21.305 3.437 -16.287 1.00 0.00 N ATOM 772 CA THR A 52 -22.298 4.314 -16.893 1.00 0.00 C ATOM 773 C THR A 52 -23.087 5.070 -15.830 1.00 0.00 C ATOM 774 O THR A 52 -23.304 6.276 -15.943 1.00 0.00 O ATOM 775 CB THR A 52 -23.280 3.524 -17.779 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.585 2.958 -18.896 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.403 4.421 -18.277 1.00 0.00 C ATOM 0 H THR A 52 -21.651 2.507 -16.052 1.00 0.00 H new ATOM 0 HA THR A 52 -21.753 5.026 -17.512 1.00 0.00 H new ATOM 0 HB THR A 52 -23.714 2.725 -17.178 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.190 2.100 -18.635 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.083 3.840 -18.900 1.00 0.00 H new ATOM 0 HG22 THR A 52 -24.949 4.828 -17.426 1.00 0.00 H new ATOM 0 HG23 THR A 52 -23.983 5.239 -18.863 1.00 0.00 H new ATOM 785 N VAL A 53 -23.514 4.352 -14.795 1.00 0.00 N ATOM 786 CA VAL A 53 -24.278 4.956 -13.710 1.00 0.00 C ATOM 787 C VAL A 53 -23.464 6.030 -12.997 1.00 0.00 C ATOM 788 O VAL A 53 -24.019 6.911 -12.341 1.00 0.00 O ATOM 789 CB VAL A 53 -24.725 3.899 -12.682 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.622 4.526 -11.626 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.432 2.746 -13.378 1.00 0.00 C ATOM 0 H VAL A 53 -23.344 3.352 -14.686 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.161 5.411 -14.159 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.839 3.505 -12.183 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.927 3.764 -10.909 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.077 5.315 -11.107 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.505 4.949 -12.104 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.741 2.008 -12.637 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.310 3.122 -13.904 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.753 2.280 -14.092 1.00 0.00 H new ATOM 801 N ASN A 54 -22.144 5.951 -13.130 1.00 0.00 N ATOM 802 CA ASN A 54 -21.253 6.917 -12.498 1.00 0.00 C ATOM 803 C ASN A 54 -21.160 8.194 -13.327 1.00 0.00 C ATOM 804 O ASN A 54 -21.176 9.300 -12.786 1.00 0.00 O ATOM 805 CB ASN A 54 -19.859 6.312 -12.315 1.00 0.00 C ATOM 806 CG ASN A 54 -19.450 6.236 -10.857 1.00 0.00 C ATOM 807 OD1 ASN A 54 -18.980 7.217 -10.280 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.627 5.066 -10.253 1.00 0.00 N ATOM 0 H ASN A 54 -21.668 5.228 -13.670 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.664 7.168 -11.520 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.840 5.312 -12.748 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.131 6.910 -12.863 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.370 4.954 -9.272 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.020 4.279 -10.770 1.00 0.00 H new ATOM 815 N SER A 55 -21.063 8.034 -14.643 1.00 0.00 N ATOM 816 CA SER A 55 -20.964 9.174 -15.547 1.00 0.00 C ATOM 817 C SER A 55 -22.331 9.817 -15.761 1.00 0.00 C ATOM 818 O SER A 55 -22.433 11.020 -16.006 1.00 0.00 O ATOM 819 CB SER A 55 -20.377 8.737 -16.890 1.00 0.00 C ATOM 820 OG SER A 55 -19.359 9.626 -17.315 1.00 0.00 O ATOM 0 H SER A 55 -21.051 7.126 -15.107 1.00 0.00 H new ATOM 0 HA SER A 55 -20.302 9.911 -15.092 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.971 7.729 -16.802 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.167 8.698 -17.640 1.00 0.00 H new ATOM 0 HG SER A 55 -18.999 9.324 -18.175 1.00 0.00 H new ATOM 826 N LEU A 56 -23.380 9.007 -15.669 1.00 0.00 N ATOM 827 CA LEU A 56 -24.742 9.496 -15.852 1.00 0.00 C ATOM 828 C LEU A 56 -25.504 9.494 -14.531 1.00 0.00 C ATOM 829 O LEU A 56 -26.733 9.463 -14.511 1.00 0.00 O ATOM 830 CB LEU A 56 -25.479 8.635 -16.880 1.00 0.00 C ATOM 831 CG LEU A 56 -24.729 8.353 -18.182 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.516 7.389 -19.054 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.454 9.650 -18.930 1.00 0.00 C ATOM 0 H LEU A 56 -23.314 8.009 -15.469 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.688 10.522 -16.217 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.728 7.682 -16.414 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.421 9.125 -17.126 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.774 7.889 -17.936 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.966 7.201 -19.976 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.661 6.450 -18.520 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.487 7.824 -19.293 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.920 9.431 -19.854 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.398 10.142 -19.165 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.847 10.307 -18.307 1.00 0.00 H new ATOM 845 N GLY A 57 -24.764 9.530 -13.427 1.00 0.00 N ATOM 846 CA GLY A 57 -25.386 9.534 -12.116 1.00 0.00 C ATOM 847 C GLY A 57 -25.420 10.916 -11.494 1.00 0.00 C ATOM 848 O GLY A 57 -25.804 11.075 -10.335 1.00 0.00 O ATOM 0 H GLY A 57 -23.744 9.556 -13.417 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.403 9.151 -12.199 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.843 8.856 -11.458 1.00 0.00 H new ATOM 852 N VAL A 58 -25.016 11.921 -12.266 1.00 0.00 N ATOM 853 CA VAL A 58 -25.001 13.297 -11.785 1.00 0.00 C ATOM 854 C VAL A 58 -25.948 14.173 -12.597 1.00 0.00 C ATOM 855 O VAL A 58 -26.303 15.277 -12.179 1.00 0.00 O ATOM 856 CB VAL A 58 -23.584 13.897 -11.845 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.696 13.279 -10.776 1.00 0.00 C ATOM 858 CG2 VAL A 58 -22.982 13.702 -13.228 1.00 0.00 C ATOM 0 H VAL A 58 -24.695 11.807 -13.227 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.333 13.274 -10.747 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.653 14.967 -11.651 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.699 13.716 -10.834 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.121 13.475 -9.792 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.631 12.203 -10.935 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.981 14.132 -13.253 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.925 12.637 -13.453 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.608 14.197 -13.970 1.00 0.00 H new ATOM 868 N LEU A 59 -26.355 13.676 -13.759 1.00 0.00 N ATOM 869 CA LEU A 59 -27.263 14.413 -14.631 1.00 0.00 C ATOM 870 C LEU A 59 -28.716 14.071 -14.319 1.00 0.00 C ATOM 871 O LEU A 59 -29.059 12.908 -14.112 1.00 0.00 O ATOM 872 CB LEU A 59 -26.957 14.103 -16.098 1.00 0.00 C ATOM 873 CG LEU A 59 -25.639 14.657 -16.641 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.484 14.316 -18.114 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.567 16.163 -16.429 1.00 0.00 C ATOM 0 H LEU A 59 -26.071 12.765 -14.120 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.114 15.478 -14.452 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.953 13.021 -16.227 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.771 14.494 -16.708 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.818 14.193 -16.094 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.541 14.718 -18.483 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.491 13.233 -18.239 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.309 14.752 -18.677 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.623 16.541 -16.821 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.395 16.644 -16.950 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.632 16.384 -15.364 1.00 0.00 H new ATOM 887 N ASN A 60 -29.566 15.093 -14.290 1.00 0.00 N ATOM 888 CA ASN A 60 -30.983 14.900 -14.005 1.00 0.00 C ATOM 889 C ASN A 60 -31.695 14.263 -15.195 1.00 0.00 C ATOM 890 O ASN A 60 -31.175 14.250 -16.309 1.00 0.00 O ATOM 891 CB ASN A 60 -31.641 16.237 -13.659 1.00 0.00 C ATOM 892 CG ASN A 60 -31.417 17.287 -14.729 1.00 0.00 C ATOM 893 OD1 ASN A 60 -32.058 17.264 -15.781 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.504 18.214 -14.467 1.00 0.00 N ATOM 0 H ASN A 60 -29.298 16.062 -14.460 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.069 14.228 -13.151 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.712 16.086 -13.520 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.245 16.599 -12.710 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.310 18.946 -15.150 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -29.997 18.195 -13.582 1.00 0.00 H new ATOM 901 N GLY A 61 -32.891 13.736 -14.949 1.00 0.00 N ATOM 902 CA GLY A 61 -33.656 13.105 -16.009 1.00 0.00 C ATOM 903 C GLY A 61 -33.795 13.992 -17.230 1.00 0.00 C ATOM 904 O GLY A 61 -33.759 13.511 -18.362 1.00 0.00 O ATOM 0 H GLY A 61 -33.344 13.735 -14.035 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.173 12.171 -16.295 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.647 12.849 -15.635 1.00 0.00 H new ATOM 908 N ALA A 62 -33.956 15.291 -17.001 1.00 0.00 N ATOM 909 CA ALA A 62 -34.101 16.247 -18.092 1.00 0.00 C ATOM 910 C ALA A 62 -32.872 16.239 -18.995 1.00 0.00 C ATOM 911 O ALA A 62 -32.983 16.051 -20.206 1.00 0.00 O ATOM 912 CB ALA A 62 -34.344 17.644 -17.540 1.00 0.00 C ATOM 0 H ALA A 62 -33.989 15.706 -16.070 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.962 15.950 -18.691 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.450 18.348 -18.365 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.255 17.645 -16.942 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.501 17.941 -16.917 1.00 0.00 H new ATOM 918 N GLN A 63 -31.703 16.446 -18.398 1.00 0.00 N ATOM 919 CA GLN A 63 -30.454 16.464 -19.150 1.00 0.00 C ATOM 920 C GLN A 63 -30.219 15.128 -19.848 1.00 0.00 C ATOM 921 O GLN A 63 -29.936 15.083 -21.046 1.00 0.00 O ATOM 922 CB GLN A 63 -29.280 16.782 -18.223 1.00 0.00 C ATOM 923 CG GLN A 63 -29.357 18.164 -17.595 1.00 0.00 C ATOM 924 CD GLN A 63 -28.379 19.142 -18.215 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.626 19.815 -17.511 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.385 19.226 -19.540 1.00 0.00 N ATOM 0 H GLN A 63 -31.595 16.604 -17.396 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.528 17.242 -19.910 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.240 16.034 -17.431 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.350 16.699 -18.786 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.370 18.552 -17.702 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.158 18.085 -16.526 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -29.026 18.649 -20.085 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.748 19.867 -20.013 1.00 0.00 H new ATOM 935 N LEU A 64 -30.338 14.043 -19.091 1.00 0.00 N ATOM 936 CA LEU A 64 -30.139 12.705 -19.637 1.00 0.00 C ATOM 937 C LEU A 64 -31.065 12.456 -20.822 1.00 0.00 C ATOM 938 O LEU A 64 -30.676 11.829 -21.808 1.00 0.00 O ATOM 939 CB LEU A 64 -30.381 11.650 -18.555 1.00 0.00 C ATOM 940 CG LEU A 64 -30.290 10.192 -19.007 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.342 9.413 -18.109 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.669 9.549 -19.014 1.00 0.00 C ATOM 0 H LEU A 64 -30.571 14.063 -18.098 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.108 12.631 -19.984 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.658 11.807 -17.754 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.370 11.816 -18.128 1.00 0.00 H new ATOM 0 HG LEU A 64 -29.896 10.171 -20.023 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.290 8.378 -18.446 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.349 9.860 -18.154 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.707 9.443 -17.082 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.585 8.512 -19.338 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.091 9.582 -18.010 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.320 10.092 -19.699 1.00 0.00 H new ATOM 954 N PHE A 65 -32.293 12.954 -20.721 1.00 0.00 N ATOM 955 CA PHE A 65 -33.276 12.787 -21.786 1.00 0.00 C ATOM 956 C PHE A 65 -32.840 13.526 -23.048 1.00 0.00 C ATOM 957 O PHE A 65 -33.272 13.196 -24.153 1.00 0.00 O ATOM 958 CB PHE A 65 -34.645 13.297 -21.330 1.00 0.00 C ATOM 959 CG PHE A 65 -35.456 12.265 -20.601 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.835 11.282 -19.847 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.840 12.277 -20.669 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.580 10.330 -19.176 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.590 11.329 -20.000 1.00 0.00 C ATOM 964 CZ PHE A 65 -36.959 10.355 -19.252 1.00 0.00 C ATOM 0 H PHE A 65 -32.631 13.476 -19.913 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.350 11.724 -22.015 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.504 14.162 -20.681 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.205 13.639 -22.200 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.757 11.259 -19.783 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.339 13.037 -21.252 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.084 9.568 -18.593 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.668 11.350 -20.062 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.543 9.614 -18.727 1.00 0.00 H new ATOM 974 N SER A 66 -31.983 14.527 -22.875 1.00 0.00 N ATOM 975 CA SER A 66 -31.492 15.315 -23.999 1.00 0.00 C ATOM 976 C SER A 66 -30.383 14.574 -24.740 1.00 0.00 C ATOM 977 O SER A 66 -30.189 14.762 -25.942 1.00 0.00 O ATOM 978 CB SER A 66 -30.977 16.671 -23.512 1.00 0.00 C ATOM 979 OG SER A 66 -30.695 17.531 -24.602 1.00 0.00 O ATOM 0 H SER A 66 -31.614 14.811 -21.967 1.00 0.00 H new ATOM 0 HA SER A 66 -32.321 15.475 -24.688 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.720 17.134 -22.863 1.00 0.00 H new ATOM 0 HB3 SER A 66 -30.076 16.528 -22.915 1.00 0.00 H new ATOM 0 HG SER A 66 -30.369 18.391 -24.264 1.00 0.00 H new ATOM 985 N LEU A 67 -29.659 13.729 -24.015 1.00 0.00 N ATOM 986 CA LEU A 67 -28.569 12.957 -24.602 1.00 0.00 C ATOM 987 C LEU A 67 -29.107 11.867 -25.523 1.00 0.00 C ATOM 988 O LEU A 67 -29.904 11.028 -25.107 1.00 0.00 O ATOM 989 CB LEU A 67 -27.710 12.332 -23.501 1.00 0.00 C ATOM 990 CG LEU A 67 -27.146 13.299 -22.459 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.438 12.535 -21.351 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.200 14.295 -23.112 1.00 0.00 C ATOM 0 H LEU A 67 -29.807 13.561 -23.020 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.954 13.635 -25.194 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.307 11.581 -22.984 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.877 11.809 -23.971 1.00 0.00 H new ATOM 0 HG LEU A 67 -27.975 13.853 -22.018 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -26.043 13.239 -20.619 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -27.144 11.863 -20.864 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.619 11.955 -21.775 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.809 14.975 -22.355 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.374 13.759 -23.580 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.738 14.866 -23.869 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.664 11.887 -26.776 1.00 0.00 N ATOM 1005 CA ASN A 68 -29.101 10.899 -27.756 1.00 0.00 C ATOM 1006 C ASN A 68 -28.176 9.685 -27.754 1.00 0.00 C ATOM 1007 O ASN A 68 -27.324 9.541 -26.877 1.00 0.00 O ATOM 1008 CB ASN A 68 -29.142 11.520 -29.154 1.00 0.00 C ATOM 1009 CG ASN A 68 -29.430 13.009 -29.116 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -30.583 13.427 -29.011 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -28.379 13.817 -29.203 1.00 0.00 N ATOM 0 H ASN A 68 -28.003 12.576 -27.136 1.00 0.00 H new ATOM 0 HA ASN A 68 -30.104 10.571 -27.482 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -28.188 11.350 -29.653 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.906 11.020 -29.749 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -28.510 14.828 -29.184 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.441 13.426 -29.289 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.350 8.814 -28.742 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.531 7.613 -28.858 1.00 0.00 C ATOM 1020 C LYS A 69 -26.059 7.973 -29.027 1.00 0.00 C ATOM 1021 O LYS A 69 -25.175 7.170 -28.728 1.00 0.00 O ATOM 1022 CB LYS A 69 -27.999 6.764 -30.041 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.498 5.331 -29.997 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.809 4.591 -31.287 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.594 3.093 -31.137 1.00 0.00 C ATOM 1026 NZ LYS A 69 -28.372 2.317 -32.141 1.00 0.00 N ATOM 0 H LYS A 69 -29.052 8.917 -29.475 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.643 7.037 -27.939 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -29.089 6.758 -30.065 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.662 7.230 -30.967 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.422 5.326 -29.824 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -27.958 4.810 -29.158 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.841 4.784 -31.578 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.175 4.972 -32.088 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.533 2.866 -31.245 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -27.886 2.783 -30.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -28.198 1.301 -32.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -29.386 2.514 -32.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -28.076 2.594 -33.099 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.802 9.185 -29.507 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.436 9.652 -29.714 1.00 0.00 C ATOM 1042 C ASP A 70 -23.850 10.207 -28.420 1.00 0.00 C ATOM 1043 O ASP A 70 -22.836 9.714 -27.926 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.400 10.723 -30.805 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.380 10.417 -31.884 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -22.189 10.732 -31.681 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -23.773 9.861 -32.931 1.00 0.00 O ATOM 0 H ASP A 70 -26.522 9.862 -29.760 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.832 8.802 -30.031 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.388 10.810 -31.257 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.170 11.688 -30.355 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.494 11.235 -27.877 1.00 0.00 N ATOM 1053 CA GLU A 71 -24.034 11.857 -26.641 1.00 0.00 C ATOM 1054 C GLU A 71 -23.827 10.811 -25.549 1.00 0.00 C ATOM 1055 O GLU A 71 -22.841 10.854 -24.812 1.00 0.00 O ATOM 1056 CB GLU A 71 -25.040 12.910 -26.169 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.141 14.112 -27.092 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.566 15.372 -26.474 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -25.109 15.829 -25.447 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -23.573 15.900 -27.018 1.00 0.00 O ATOM 0 H GLU A 71 -25.335 11.655 -28.273 1.00 0.00 H new ATOM 0 HA GLU A 71 -23.078 12.341 -26.842 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -26.023 12.447 -26.080 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.757 13.250 -25.173 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.616 13.896 -28.023 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.187 14.282 -27.348 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.762 9.873 -25.451 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.683 8.815 -24.450 1.00 0.00 C ATOM 1069 C LEU A 72 -23.551 7.844 -24.771 1.00 0.00 C ATOM 1070 O LEU A 72 -22.891 7.326 -23.871 1.00 0.00 O ATOM 1071 CB LEU A 72 -26.011 8.060 -24.372 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.081 8.675 -23.469 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.463 8.489 -24.075 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -27.020 8.062 -22.077 1.00 0.00 C ATOM 0 H LEU A 72 -25.584 9.823 -26.053 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.477 9.277 -23.485 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.418 7.977 -25.380 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.810 7.046 -24.025 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.886 9.744 -23.383 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.211 8.933 -23.418 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.501 8.975 -25.050 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.669 7.425 -24.192 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.788 8.511 -21.448 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.189 6.987 -22.145 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.039 8.248 -21.640 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.332 7.605 -26.060 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.279 6.698 -26.500 1.00 0.00 C ATOM 1088 C ARG A 73 -20.900 7.297 -26.238 1.00 0.00 C ATOM 1089 O ARG A 73 -19.913 6.574 -26.096 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.436 6.384 -27.989 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.267 5.610 -28.575 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.711 4.708 -29.716 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.697 3.714 -30.054 1.00 0.00 N ATOM 1094 CZ ARG A 73 -20.711 3.001 -31.176 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -21.682 3.174 -32.062 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -19.752 2.115 -31.412 1.00 0.00 N ATOM 0 H ARG A 73 -23.870 8.027 -26.817 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.369 5.774 -25.929 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.351 5.810 -28.136 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.554 7.318 -28.538 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.511 6.308 -28.935 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.800 5.009 -27.795 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.636 4.202 -29.439 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.930 5.315 -30.594 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.936 3.558 -29.393 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.420 3.855 -31.883 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -21.691 2.626 -32.922 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.003 1.981 -30.732 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.763 1.568 -32.273 1.00 0.00 H new ATOM 1110 N THR A 74 -20.840 8.624 -26.177 1.00 0.00 N ATOM 1111 CA THR A 74 -19.583 9.321 -25.934 1.00 0.00 C ATOM 1112 C THR A 74 -19.223 9.306 -24.453 1.00 0.00 C ATOM 1113 O THR A 74 -18.095 8.980 -24.081 1.00 0.00 O ATOM 1114 CB THR A 74 -19.647 10.781 -26.421 1.00 0.00 C ATOM 1115 OG1 THR A 74 -21.008 11.158 -26.659 1.00 0.00 O ATOM 1116 CG2 THR A 74 -18.834 10.963 -27.693 1.00 0.00 C ATOM 0 H THR A 74 -21.647 9.237 -26.293 1.00 0.00 H new ATOM 0 HA THR A 74 -18.814 8.792 -26.497 1.00 0.00 H new ATOM 0 HB THR A 74 -19.224 11.419 -25.645 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.451 11.339 -25.804 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.894 12.002 -28.018 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.793 10.703 -27.500 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.231 10.315 -28.474 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.188 9.659 -23.610 1.00 0.00 N ATOM 1125 CA VAL A 75 -19.973 9.685 -22.169 1.00 0.00 C ATOM 1126 C VAL A 75 -19.661 8.292 -21.635 1.00 0.00 C ATOM 1127 O VAL A 75 -18.844 8.132 -20.727 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.202 10.244 -21.427 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.442 9.426 -21.758 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -20.954 10.267 -19.927 1.00 0.00 C ATOM 0 H VAL A 75 -21.127 9.931 -23.901 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.121 10.340 -21.988 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.371 11.268 -21.760 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.301 9.835 -21.225 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.628 9.466 -22.831 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.286 8.391 -21.455 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -21.833 10.665 -19.419 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.759 9.254 -19.575 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.093 10.899 -19.710 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.316 7.286 -22.204 1.00 0.00 N ATOM 1141 CA CYS A 76 -20.109 5.904 -21.785 1.00 0.00 C ATOM 1142 C CYS A 76 -20.213 4.954 -22.974 1.00 0.00 C ATOM 1143 O CYS A 76 -20.871 5.242 -23.974 1.00 0.00 O ATOM 1144 CB CYS A 76 -21.130 5.515 -20.715 1.00 0.00 C ATOM 1145 SG CYS A 76 -22.851 5.690 -21.239 1.00 0.00 S ATOM 0 H CYS A 76 -20.995 7.401 -22.957 1.00 0.00 H new ATOM 0 HA CYS A 76 -19.106 5.824 -21.366 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -20.955 4.480 -20.420 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -20.966 6.131 -19.831 1.00 0.00 H new ATOM 0 HG CYS A 76 -22.900 6.357 -22.354 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.548 3.795 -22.865 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.549 2.779 -23.923 1.00 0.00 C ATOM 1153 C PRO A 77 -20.906 2.099 -24.072 1.00 0.00 C ATOM 1154 O PRO A 77 -21.222 1.551 -25.127 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.496 1.774 -23.450 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.458 1.933 -21.969 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.743 3.385 -21.702 1.00 0.00 C ATOM 0 HA PRO A 77 -19.338 3.209 -24.902 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.766 0.756 -23.732 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.523 1.981 -23.895 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.200 1.295 -21.489 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.485 1.646 -21.570 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.288 3.522 -20.768 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.825 3.967 -21.624 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.703 2.140 -23.009 1.00 0.00 N ATOM 1166 CA GLU A 78 -23.026 1.527 -23.023 1.00 0.00 C ATOM 1167 C GLU A 78 -24.099 2.556 -23.369 1.00 0.00 C ATOM 1168 O GLU A 78 -25.268 2.390 -23.024 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.333 0.891 -21.666 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.282 -0.108 -21.210 1.00 0.00 C ATOM 1171 CD GLU A 78 -21.898 -1.089 -22.301 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -22.803 -1.552 -23.027 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -20.694 -1.394 -22.429 1.00 0.00 O ATOM 0 H GLU A 78 -21.456 2.591 -22.128 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.030 0.751 -23.789 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.423 1.678 -20.917 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.300 0.390 -21.719 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.393 0.430 -20.881 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.659 -0.658 -20.348 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.691 3.620 -24.053 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.628 4.661 -24.434 1.00 0.00 C ATOM 1182 C GLY A 79 -25.766 4.133 -25.285 1.00 0.00 C ATOM 1183 O GLY A 79 -26.936 4.298 -24.939 1.00 0.00 O ATOM 0 H GLY A 79 -22.728 3.780 -24.350 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.035 5.126 -23.536 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.098 5.439 -24.983 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.424 3.498 -26.401 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.426 2.944 -27.302 1.00 0.00 C ATOM 1189 C ALA A 80 -27.413 2.059 -26.549 1.00 0.00 C ATOM 1190 O ALA A 80 -28.577 1.945 -26.933 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.755 2.158 -28.419 1.00 0.00 C ATOM 0 H ALA A 80 -24.460 3.355 -26.703 1.00 0.00 H new ATOM 0 HA ALA A 80 -26.983 3.773 -27.739 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.516 1.750 -29.084 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.096 2.818 -28.983 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.172 1.342 -27.991 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.940 1.434 -25.476 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.782 0.557 -24.670 1.00 0.00 C ATOM 1199 C ARG A 81 -28.646 1.367 -23.708 1.00 0.00 C ATOM 1200 O ARG A 81 -29.777 0.986 -23.402 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.919 -0.434 -23.886 1.00 0.00 C ATOM 1202 CG ARG A 81 -26.072 -1.336 -24.770 1.00 0.00 C ATOM 1203 CD ARG A 81 -26.838 -2.579 -25.192 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.421 -3.059 -26.507 1.00 0.00 N ATOM 1205 CZ ARG A 81 -26.868 -4.183 -27.056 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -27.741 -4.940 -26.406 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -26.441 -4.552 -28.257 1.00 0.00 N ATOM 0 H ARG A 81 -25.979 1.518 -25.144 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.438 0.005 -25.343 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.264 0.120 -23.213 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.565 -1.053 -23.264 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.754 -0.785 -25.655 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -25.169 -1.628 -24.234 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -26.686 -3.366 -24.454 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.905 -2.359 -25.208 1.00 0.00 H new ATOM 0 HE ARG A 81 -25.749 -2.500 -27.033 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -28.071 -4.660 -25.482 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -28.083 -5.803 -26.830 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -25.769 -3.972 -28.760 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -26.785 -5.415 -28.678 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.107 2.485 -23.234 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.829 3.349 -22.307 1.00 0.00 C ATOM 1223 C VAL A 82 -29.933 4.120 -23.021 1.00 0.00 C ATOM 1224 O VAL A 82 -31.078 4.147 -22.569 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.881 4.350 -21.619 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.658 5.265 -20.685 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.784 3.613 -20.866 1.00 0.00 C ATOM 0 H VAL A 82 -27.173 2.814 -23.476 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.273 2.701 -21.551 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.412 4.967 -22.386 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.972 5.965 -20.208 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.404 5.819 -21.255 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.156 4.667 -19.921 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.124 4.335 -20.386 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.232 2.971 -20.108 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.210 3.004 -21.564 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.582 4.745 -24.140 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.543 5.519 -24.916 1.00 0.00 C ATOM 1239 C TYR A 83 -31.776 4.682 -25.247 1.00 0.00 C ATOM 1240 O TYR A 83 -32.908 5.149 -25.122 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.897 6.027 -26.207 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.849 6.787 -27.102 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.256 8.077 -26.780 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.343 6.217 -28.268 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.126 8.775 -27.595 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.212 6.908 -29.089 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.601 8.187 -28.748 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.468 8.879 -29.563 1.00 0.00 O ATOM 0 H TYR A 83 -28.639 4.730 -24.529 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.855 6.372 -24.313 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -29.057 6.673 -25.953 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.492 5.179 -26.759 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.886 8.541 -25.878 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -31.042 5.215 -28.537 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.433 9.776 -27.330 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.585 6.450 -29.993 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.706 8.323 -30.334 1.00 0.00 H new ATOM 1258 N SER A 84 -31.546 3.443 -25.668 1.00 0.00 N ATOM 1259 CA SER A 84 -32.637 2.541 -26.020 1.00 0.00 C ATOM 1260 C SER A 84 -33.583 2.346 -24.839 1.00 0.00 C ATOM 1261 O SER A 84 -34.749 1.993 -25.016 1.00 0.00 O ATOM 1262 CB SER A 84 -32.083 1.189 -26.472 1.00 0.00 C ATOM 1263 OG SER A 84 -33.062 0.445 -27.176 1.00 0.00 O ATOM 0 H SER A 84 -30.615 3.040 -25.774 1.00 0.00 H new ATOM 0 HA SER A 84 -33.196 2.990 -26.841 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.212 1.344 -27.109 1.00 0.00 H new ATOM 0 HB3 SER A 84 -31.746 0.622 -25.604 1.00 0.00 H new ATOM 0 HG SER A 84 -32.682 -0.414 -27.455 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.072 2.579 -23.635 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.871 2.429 -22.424 1.00 0.00 C ATOM 1271 C GLN A 85 -34.545 3.744 -22.050 1.00 0.00 C ATOM 1272 O GLN A 85 -35.549 3.757 -21.336 1.00 0.00 O ATOM 1273 CB GLN A 85 -32.995 1.944 -21.267 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.766 0.441 -21.266 1.00 0.00 C ATOM 1275 CD GLN A 85 -34.061 -0.347 -21.288 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.578 -0.684 -22.354 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -34.594 -0.645 -20.109 1.00 0.00 N ATOM 0 H GLN A 85 -32.109 2.872 -23.471 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.646 1.688 -22.620 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -32.031 2.450 -21.315 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.460 2.233 -20.324 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.165 0.168 -22.133 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.192 0.165 -20.381 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -34.132 -0.346 -19.250 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.465 -1.173 -20.062 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.988 4.848 -22.536 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.537 6.169 -22.253 1.00 0.00 C ATOM 1288 C ILE A 86 -35.611 6.547 -23.268 1.00 0.00 C ATOM 1289 O ILE A 86 -36.571 7.246 -22.943 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.439 7.248 -22.259 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.355 6.909 -21.233 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -34.039 8.616 -21.971 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.044 7.620 -21.483 1.00 0.00 C ATOM 0 H ILE A 86 -33.157 4.854 -23.128 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.981 6.120 -21.259 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.982 7.275 -23.248 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.715 7.167 -20.237 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.183 5.833 -21.240 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.250 9.368 -21.979 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.778 8.857 -22.735 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.519 8.604 -20.993 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.323 7.333 -20.718 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.661 7.343 -22.465 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.202 8.698 -21.446 1.00 0.00 H new ATOM 1305 N THR A 87 -35.444 6.078 -24.501 1.00 0.00 N ATOM 1306 CA THR A 87 -36.398 6.365 -25.564 1.00 0.00 C ATOM 1307 C THR A 87 -37.813 5.976 -25.153 1.00 0.00 C ATOM 1308 O THR A 87 -38.780 6.654 -25.500 1.00 0.00 O ATOM 1309 CB THR A 87 -36.031 5.624 -26.864 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.985 5.930 -27.888 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.988 4.121 -26.636 1.00 0.00 C ATOM 0 H THR A 87 -34.656 5.497 -24.788 1.00 0.00 H new ATOM 0 HA THR A 87 -36.357 7.439 -25.743 1.00 0.00 H new ATOM 0 HB THR A 87 -35.042 5.956 -27.179 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.744 5.457 -28.712 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.727 3.619 -27.568 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.241 3.889 -25.877 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.966 3.776 -26.300 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.928 4.880 -24.410 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.226 4.402 -23.949 1.00 0.00 C ATOM 1321 C VAL A 88 -39.808 5.329 -22.888 1.00 0.00 C ATOM 1322 O VAL A 88 -41.023 5.388 -22.701 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.127 2.977 -23.371 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.207 2.955 -22.160 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.508 2.451 -23.012 1.00 0.00 C ATOM 0 H VAL A 88 -37.138 4.306 -24.114 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.885 4.389 -24.817 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.701 2.323 -24.132 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.149 1.941 -21.765 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.211 3.287 -22.453 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.600 3.621 -21.392 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.419 1.444 -22.605 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.964 3.104 -22.268 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.132 2.428 -23.905 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.933 6.051 -22.195 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.361 6.975 -21.152 1.00 0.00 C ATOM 1337 C GLN A 89 -39.916 8.260 -21.758 1.00 0.00 C ATOM 1338 O GLN A 89 -40.990 8.726 -21.376 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.193 7.300 -20.219 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.482 6.069 -19.682 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.438 5.066 -19.066 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.347 3.865 -19.323 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.362 5.554 -18.246 1.00 0.00 N ATOM 0 H GLN A 89 -37.924 6.014 -22.337 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.153 6.494 -20.578 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.474 7.920 -20.754 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.562 7.891 -19.381 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -36.931 5.590 -20.491 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.750 6.374 -18.934 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.402 6.556 -18.061 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.032 4.926 -17.801 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.178 8.829 -22.705 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.596 10.060 -23.365 1.00 0.00 C ATOM 1354 C LYS A 90 -40.888 9.846 -24.148 1.00 0.00 C ATOM 1355 O LYS A 90 -41.799 10.672 -24.099 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.496 10.558 -24.305 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.249 11.037 -23.581 1.00 0.00 C ATOM 1358 CD LYS A 90 -35.996 10.790 -24.404 1.00 0.00 C ATOM 1359 CE LYS A 90 -35.914 11.737 -25.591 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.713 11.247 -26.748 1.00 0.00 N ATOM 0 H LYS A 90 -38.287 8.457 -23.033 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.777 10.811 -22.596 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.223 9.755 -24.989 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -38.890 11.373 -24.912 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.339 12.102 -23.365 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -37.163 10.523 -22.623 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -35.115 10.916 -23.775 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -35.989 9.759 -24.758 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.272 12.723 -25.294 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.873 11.853 -25.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -36.266 11.557 -27.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.755 10.208 -26.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.677 11.633 -26.693 1.00 0.00 H new