USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 743 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 63 CYS SG : rot 9:sc= 0.53 USER MOD Set 1.2: A 65 SER OG : rot 76:sc= 0.66 USER MOD Set 1.3: A 103 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0144) USER MOD Set 2.1: A 91 SER OG : rot 69:sc= 1.21 USER MOD Set 2.2: A 92 GLN : amide:sc= -0.637 K(o=0.57,f=-6.5!) USER MOD Set 3.1: A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 60 THR OG1 : rot 45:sc= 0.23 USER MOD Set 3.3: A 70 SER OG : rot -137:sc= 1.39 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.0551 F(o=-0.6,f=-0.055) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -151:sc= 0 (180deg=-0.00772) USER MOD Single : A 37 CYS SG : rot -39:sc= -1.1! USER MOD Single : A 42 GLN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.67 K(o=-0.67,f=-1.9) USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= 0.263! (180deg=-0.263) USER MOD Single : A 50 ASN :FLIP amide:sc= -4.72! C(o=-6.1!,f=-4.7!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -73:sc= 0.0165 USER MOD Single : A 74 THR OG1 : rot -101:sc= 0.307! USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= -0.748 (180deg=-0.855) USER MOD Single : A 80 LYS NZ :NH3+ -115:sc= -0.028 (180deg=-3.43!) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0526 USER MOD Single : A 89 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0652) USER MOD Single : A 90 ASN : amide:sc= 0.741 K(o=0.74,f=-3.4!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 106 CYS SG : rot 180:sc= -0.261 USER MOD Single : A 107 SER OG : rot -116:sc= 0.122 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ -148:sc= -0.561 (180deg=-2.37!) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 8.843 -8.128 -17.720 1.00 0.00 N ATOM 375 CA ASP A 24 8.334 -9.471 -17.322 1.00 0.00 C ATOM 376 C ASP A 24 6.877 -9.617 -17.769 1.00 0.00 C ATOM 377 O ASP A 24 6.199 -8.646 -18.038 1.00 0.00 O ATOM 378 CB ASP A 24 8.419 -9.619 -15.802 1.00 0.00 C ATOM 379 CG ASP A 24 9.873 -9.451 -15.355 1.00 0.00 C ATOM 380 OD1 ASP A 24 10.669 -10.328 -15.650 1.00 0.00 O ATOM 381 OD2 ASP A 24 10.166 -8.449 -14.725 1.00 0.00 O ATOM 0 HA ASP A 24 8.939 -10.244 -17.796 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.790 -8.873 -15.317 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.045 -10.597 -15.499 1.00 0.00 H new ATOM 386 N SER A 25 6.391 -10.826 -17.850 1.00 0.00 N ATOM 387 CA SER A 25 4.980 -11.036 -18.279 1.00 0.00 C ATOM 388 C SER A 25 4.050 -10.834 -17.080 1.00 0.00 C ATOM 389 O SER A 25 2.849 -10.724 -17.225 1.00 0.00 O ATOM 390 CB SER A 25 4.816 -12.456 -18.818 1.00 0.00 C ATOM 391 OG SER A 25 3.930 -13.180 -17.975 1.00 0.00 O ATOM 0 H SER A 25 6.911 -11.677 -17.637 1.00 0.00 H new ATOM 0 HA SER A 25 4.727 -10.321 -19.062 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.426 -12.428 -19.836 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.784 -12.955 -18.861 1.00 0.00 H new ATOM 0 HG SER A 25 3.822 -14.091 -18.320 1.00 0.00 H new ATOM 397 N ASN A 26 4.598 -10.786 -15.898 1.00 0.00 N ATOM 398 CA ASN A 26 3.750 -10.592 -14.689 1.00 0.00 C ATOM 399 C ASN A 26 3.667 -9.100 -14.361 1.00 0.00 C ATOM 400 O ASN A 26 3.193 -8.709 -13.313 1.00 0.00 O ATOM 401 CB ASN A 26 4.369 -11.343 -13.508 1.00 0.00 C ATOM 402 CG ASN A 26 4.576 -12.810 -13.891 1.00 0.00 C ATOM 403 OD1 ASN A 26 5.599 -13.139 -14.631 1.00 0.00 O flip ATOM 404 ND2 ASN A 26 3.801 -13.664 -13.513 1.00 0.00 N flip ATOM 0 H ASN A 26 5.598 -10.873 -15.717 1.00 0.00 H new ATOM 0 HA ASN A 26 2.748 -10.978 -14.879 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.321 -10.890 -13.233 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.719 -11.272 -12.636 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.001 -13.407 -12.934 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.949 -14.639 -13.774 1.00 0.00 H new ATOM 411 N VAL A 27 4.125 -8.264 -15.253 1.00 0.00 N ATOM 412 CA VAL A 27 4.074 -6.796 -14.996 1.00 0.00 C ATOM 413 C VAL A 27 3.604 -6.077 -16.262 1.00 0.00 C ATOM 414 O VAL A 27 4.249 -6.127 -17.291 1.00 0.00 O ATOM 415 CB VAL A 27 5.468 -6.298 -14.610 1.00 0.00 C ATOM 416 CG1 VAL A 27 5.510 -4.772 -14.701 1.00 0.00 C ATOM 417 CG2 VAL A 27 5.783 -6.729 -13.176 1.00 0.00 C ATOM 0 H VAL A 27 4.532 -8.534 -16.148 1.00 0.00 H new ATOM 0 HA VAL A 27 3.379 -6.590 -14.182 1.00 0.00 H new ATOM 0 HB VAL A 27 6.206 -6.723 -15.291 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.504 -4.418 -14.426 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.284 -4.462 -15.721 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.772 -4.347 -14.021 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.776 -6.375 -12.899 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.044 -6.303 -12.497 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.754 -7.816 -13.108 1.00 0.00 H new ATOM 427 N GLY A 28 2.483 -5.411 -16.196 1.00 0.00 N ATOM 428 CA GLY A 28 1.970 -4.693 -17.398 1.00 0.00 C ATOM 429 C GLY A 28 2.398 -3.224 -17.342 1.00 0.00 C ATOM 430 O GLY A 28 2.219 -2.552 -16.345 1.00 0.00 O ATOM 0 H GLY A 28 1.901 -5.333 -15.362 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.355 -5.160 -18.305 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.883 -4.764 -17.440 1.00 0.00 H new ATOM 434 N THR A 29 2.959 -2.723 -18.410 1.00 0.00 N ATOM 435 CA THR A 29 3.397 -1.298 -18.426 1.00 0.00 C ATOM 436 C THR A 29 2.495 -0.502 -19.370 1.00 0.00 C ATOM 437 O THR A 29 2.014 -1.014 -20.362 1.00 0.00 O ATOM 438 CB THR A 29 4.844 -1.216 -18.915 1.00 0.00 C ATOM 439 OG1 THR A 29 5.614 -2.230 -18.287 1.00 0.00 O ATOM 440 CG2 THR A 29 5.425 0.157 -18.570 1.00 0.00 C ATOM 0 H THR A 29 3.133 -3.240 -19.272 1.00 0.00 H new ATOM 0 HA THR A 29 3.329 -0.884 -17.420 1.00 0.00 H new ATOM 0 HB THR A 29 4.870 -1.358 -19.995 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.541 -2.179 -18.601 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.456 0.214 -18.919 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.834 0.934 -19.055 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.399 0.302 -17.490 1.00 0.00 H new ATOM 448 N GLY A 30 2.261 0.748 -19.076 1.00 0.00 N ATOM 449 CA GLY A 30 1.388 1.569 -19.963 1.00 0.00 C ATOM 450 C GLY A 30 1.777 3.044 -19.852 1.00 0.00 C ATOM 451 O GLY A 30 1.679 3.646 -18.800 1.00 0.00 O ATOM 0 H GLY A 30 2.635 1.235 -18.262 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.486 1.234 -20.996 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.343 1.437 -19.683 1.00 0.00 H new ATOM 455 N MET A 31 2.216 3.633 -20.929 1.00 0.00 N ATOM 456 CA MET A 31 2.609 5.070 -20.889 1.00 0.00 C ATOM 457 C MET A 31 1.834 5.836 -21.964 1.00 0.00 C ATOM 458 O MET A 31 2.086 5.692 -23.143 1.00 0.00 O ATOM 459 CB MET A 31 4.110 5.196 -21.153 1.00 0.00 C ATOM 460 CG MET A 31 4.555 6.636 -20.887 1.00 0.00 C ATOM 461 SD MET A 31 5.788 7.122 -22.119 1.00 0.00 S ATOM 462 CE MET A 31 6.322 8.651 -21.314 1.00 0.00 C ATOM 0 H MET A 31 2.320 3.181 -21.837 1.00 0.00 H new ATOM 0 HA MET A 31 2.379 5.485 -19.908 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.662 4.509 -20.512 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.333 4.919 -22.183 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.697 7.307 -20.931 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.974 6.719 -19.884 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.664 9.359 -22.069 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.487 9.083 -20.763 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.138 8.433 -20.624 1.00 0.00 H new ATOM 472 N VAL A 32 0.892 6.647 -21.567 1.00 0.00 N ATOM 473 CA VAL A 32 0.104 7.416 -22.569 1.00 0.00 C ATOM 474 C VAL A 32 0.254 8.915 -22.301 1.00 0.00 C ATOM 475 O VAL A 32 1.037 9.333 -21.471 1.00 0.00 O ATOM 476 CB VAL A 32 -1.372 7.027 -22.464 1.00 0.00 C ATOM 477 CG1 VAL A 32 -1.533 5.542 -22.792 1.00 0.00 C ATOM 478 CG2 VAL A 32 -1.867 7.290 -21.039 1.00 0.00 C ATOM 0 H VAL A 32 0.635 6.810 -20.593 1.00 0.00 H new ATOM 0 HA VAL A 32 0.472 7.188 -23.569 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.955 7.620 -23.168 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.585 5.265 -22.717 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.179 5.353 -23.805 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.950 4.949 -22.087 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.919 7.013 -20.962 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.283 6.696 -20.336 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.752 8.348 -20.803 1.00 0.00 H new ATOM 488 N GLY A 33 -0.490 9.729 -23.000 1.00 0.00 N ATOM 489 CA GLY A 33 -0.392 11.201 -22.787 1.00 0.00 C ATOM 490 C GLY A 33 -1.477 11.908 -23.603 1.00 0.00 C ATOM 491 O GLY A 33 -2.349 11.280 -24.168 1.00 0.00 O ATOM 0 H GLY A 33 -1.162 9.438 -23.710 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.508 11.435 -21.729 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.594 11.558 -23.086 1.00 0.00 H new ATOM 495 N ALA A 34 -1.431 13.212 -23.668 1.00 0.00 N ATOM 496 CA ALA A 34 -2.461 13.954 -24.448 1.00 0.00 C ATOM 497 C ALA A 34 -1.779 14.976 -25.359 1.00 0.00 C ATOM 498 O ALA A 34 -1.797 16.163 -25.099 1.00 0.00 O ATOM 499 CB ALA A 34 -3.406 14.680 -23.486 1.00 0.00 C ATOM 0 H ALA A 34 -0.726 13.794 -23.215 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.029 13.250 -25.056 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.160 15.223 -24.057 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.896 13.952 -22.839 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.836 15.382 -22.877 1.00 0.00 H new ATOM 505 N PRO A 35 -1.181 14.510 -26.423 1.00 0.00 N ATOM 506 CA PRO A 35 -0.476 15.387 -27.403 1.00 0.00 C ATOM 507 C PRO A 35 -1.355 16.550 -27.874 1.00 0.00 C ATOM 508 O PRO A 35 -0.928 17.393 -28.638 1.00 0.00 O ATOM 509 CB PRO A 35 -0.160 14.452 -28.573 1.00 0.00 C ATOM 510 CG PRO A 35 -0.158 13.074 -27.996 1.00 0.00 C ATOM 511 CD PRO A 35 -1.115 13.092 -26.804 1.00 0.00 C ATOM 0 HA PRO A 35 0.409 15.850 -26.966 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.906 14.546 -29.362 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.806 14.692 -29.017 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.479 12.344 -28.739 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.846 12.788 -27.681 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.097 12.705 -27.075 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.744 12.475 -25.985 1.00 0.00 H new ATOM 519 N ALA A 36 -2.578 16.600 -27.423 1.00 0.00 N ATOM 520 CA ALA A 36 -3.483 17.707 -27.844 1.00 0.00 C ATOM 521 C ALA A 36 -3.164 18.965 -27.036 1.00 0.00 C ATOM 522 O ALA A 36 -3.681 20.033 -27.301 1.00 0.00 O ATOM 523 CB ALA A 36 -4.938 17.296 -27.599 1.00 0.00 C ATOM 0 H ALA A 36 -2.990 15.923 -26.781 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.337 17.912 -28.904 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.601 18.105 -27.906 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.165 16.400 -28.177 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.084 17.090 -26.539 1.00 0.00 H new ATOM 529 N CYS A 37 -2.320 18.849 -26.048 1.00 0.00 N ATOM 530 CA CYS A 37 -1.973 20.041 -25.222 1.00 0.00 C ATOM 531 C CYS A 37 -0.543 19.898 -24.695 1.00 0.00 C ATOM 532 O CYS A 37 0.299 20.745 -24.920 1.00 0.00 O ATOM 533 CB CYS A 37 -2.942 20.141 -24.043 1.00 0.00 C ATOM 534 SG CYS A 37 -4.593 19.621 -24.573 1.00 0.00 S ATOM 0 H CYS A 37 -1.856 17.982 -25.777 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.047 20.941 -25.832 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.598 19.513 -23.221 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.974 21.165 -23.670 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.821 20.060 -25.775 1.00 0.00 H new ATOM 540 N GLY A 38 -0.262 18.834 -23.994 1.00 0.00 N ATOM 541 CA GLY A 38 1.113 18.640 -23.453 1.00 0.00 C ATOM 542 C GLY A 38 1.034 17.971 -22.080 1.00 0.00 C ATOM 543 O GLY A 38 1.563 18.467 -21.105 1.00 0.00 O ATOM 0 H GLY A 38 -0.925 18.091 -23.773 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.700 18.025 -24.135 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.622 19.601 -23.372 1.00 0.00 H new ATOM 547 N ASP A 39 0.378 16.845 -21.994 1.00 0.00 N ATOM 548 CA ASP A 39 0.268 16.145 -20.682 1.00 0.00 C ATOM 549 C ASP A 39 0.782 14.710 -20.828 1.00 0.00 C ATOM 550 O ASP A 39 0.485 14.030 -21.789 1.00 0.00 O ATOM 551 CB ASP A 39 -1.195 16.120 -20.236 1.00 0.00 C ATOM 552 CG ASP A 39 -1.886 17.412 -20.675 1.00 0.00 C ATOM 553 OD1 ASP A 39 -1.186 18.377 -20.935 1.00 0.00 O ATOM 554 OD2 ASP A 39 -3.105 17.415 -20.744 1.00 0.00 O ATOM 0 H ASP A 39 -0.086 16.380 -22.775 1.00 0.00 H new ATOM 0 HA ASP A 39 0.864 16.672 -19.937 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.703 15.258 -20.669 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.254 16.014 -19.153 1.00 0.00 H new ATOM 559 N VAL A 40 1.552 14.246 -19.881 1.00 0.00 N ATOM 560 CA VAL A 40 2.084 12.857 -19.968 1.00 0.00 C ATOM 561 C VAL A 40 1.621 12.054 -18.751 1.00 0.00 C ATOM 562 O VAL A 40 1.659 12.528 -17.633 1.00 0.00 O ATOM 563 CB VAL A 40 3.612 12.898 -19.998 1.00 0.00 C ATOM 564 CG1 VAL A 40 4.126 13.732 -18.822 1.00 0.00 C ATOM 565 CG2 VAL A 40 4.162 11.474 -19.890 1.00 0.00 C ATOM 0 H VAL A 40 1.835 14.769 -19.052 1.00 0.00 H new ATOM 0 HA VAL A 40 1.714 12.384 -20.877 1.00 0.00 H new ATOM 0 HB VAL A 40 3.944 13.348 -20.934 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.215 13.760 -18.845 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.735 14.747 -18.897 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.794 13.284 -17.886 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.251 11.502 -19.911 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.829 11.025 -18.954 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.798 10.879 -20.728 1.00 0.00 H new ATOM 575 N MET A 41 1.184 10.842 -18.959 1.00 0.00 N ATOM 576 CA MET A 41 0.720 10.011 -17.813 1.00 0.00 C ATOM 577 C MET A 41 1.322 8.609 -17.922 1.00 0.00 C ATOM 578 O MET A 41 1.365 8.021 -18.985 1.00 0.00 O ATOM 579 CB MET A 41 -0.806 9.911 -17.839 1.00 0.00 C ATOM 580 CG MET A 41 -1.254 8.719 -16.993 1.00 0.00 C ATOM 581 SD MET A 41 -2.789 9.133 -16.128 1.00 0.00 S ATOM 582 CE MET A 41 -2.827 7.693 -15.033 1.00 0.00 C ATOM 0 H MET A 41 1.128 10.392 -19.873 1.00 0.00 H new ATOM 0 HA MET A 41 1.039 10.473 -16.879 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.248 10.830 -17.454 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.156 9.794 -18.865 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.406 7.846 -17.628 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.478 8.458 -16.273 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.710 7.743 -14.396 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.862 6.782 -15.631 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.932 7.685 -14.411 1.00 0.00 H new ATOM 592 N GLN A 42 1.786 8.066 -16.829 1.00 0.00 N ATOM 593 CA GLN A 42 2.381 6.700 -16.869 1.00 0.00 C ATOM 594 C GLN A 42 1.750 5.840 -15.774 1.00 0.00 C ATOM 595 O GLN A 42 1.722 6.212 -14.618 1.00 0.00 O ATOM 596 CB GLN A 42 3.891 6.796 -16.635 1.00 0.00 C ATOM 597 CG GLN A 42 4.544 5.452 -16.963 1.00 0.00 C ATOM 598 CD GLN A 42 6.054 5.548 -16.737 1.00 0.00 C ATOM 599 OE1 GLN A 42 6.824 5.513 -17.676 1.00 0.00 O ATOM 600 NE2 GLN A 42 6.511 5.672 -15.521 1.00 0.00 N ATOM 0 H GLN A 42 1.779 8.509 -15.910 1.00 0.00 H new ATOM 0 HA GLN A 42 2.192 6.247 -17.842 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.317 7.582 -17.259 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.093 7.067 -15.599 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.121 4.668 -16.335 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.337 5.178 -17.998 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.864 5.701 -14.733 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.516 5.740 -15.358 1.00 0.00 H new ATOM 609 N LEU A 43 1.238 4.692 -16.128 1.00 0.00 N ATOM 610 CA LEU A 43 0.607 3.814 -15.103 1.00 0.00 C ATOM 611 C LEU A 43 1.121 2.382 -15.262 1.00 0.00 C ATOM 612 O LEU A 43 1.160 1.842 -16.349 1.00 0.00 O ATOM 613 CB LEU A 43 -0.912 3.832 -15.285 1.00 0.00 C ATOM 614 CG LEU A 43 -1.546 2.766 -14.392 1.00 0.00 C ATOM 615 CD1 LEU A 43 -2.828 3.319 -13.767 1.00 0.00 C ATOM 616 CD2 LEU A 43 -1.881 1.531 -15.232 1.00 0.00 C ATOM 0 H LEU A 43 1.230 4.326 -17.080 1.00 0.00 H new ATOM 0 HA LEU A 43 0.862 4.180 -14.108 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.307 4.816 -15.032 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.166 3.645 -16.328 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.846 2.491 -13.603 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.280 2.558 -13.130 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.591 4.199 -13.169 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.528 3.594 -14.556 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.333 0.770 -14.596 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.580 1.807 -16.021 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.968 1.136 -15.678 1.00 0.00 H new ATOM 628 N GLN A 44 1.510 1.761 -14.183 1.00 0.00 N ATOM 629 CA GLN A 44 2.017 0.363 -14.265 1.00 0.00 C ATOM 630 C GLN A 44 1.316 -0.488 -13.205 1.00 0.00 C ATOM 631 O GLN A 44 1.195 -0.096 -12.062 1.00 0.00 O ATOM 632 CB GLN A 44 3.527 0.348 -14.014 1.00 0.00 C ATOM 633 CG GLN A 44 4.080 -1.050 -14.297 1.00 0.00 C ATOM 634 CD GLN A 44 5.263 -1.328 -13.369 1.00 0.00 C ATOM 635 OE1 GLN A 44 5.224 -0.998 -12.200 1.00 0.00 O ATOM 636 NE2 GLN A 44 6.323 -1.925 -13.844 1.00 0.00 N ATOM 0 H GLN A 44 1.498 2.163 -13.246 1.00 0.00 H new ATOM 0 HA GLN A 44 1.813 -0.042 -15.256 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.019 1.081 -14.653 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.737 0.631 -12.983 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.302 -1.798 -14.146 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.395 -1.124 -15.338 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.356 -2.202 -14.825 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.118 -2.114 -13.234 1.00 0.00 H new ATOM 645 N ILE A 45 0.847 -1.649 -13.573 1.00 0.00 N ATOM 646 CA ILE A 45 0.152 -2.515 -12.579 1.00 0.00 C ATOM 647 C ILE A 45 0.947 -3.808 -12.377 1.00 0.00 C ATOM 648 O ILE A 45 1.610 -4.286 -13.277 1.00 0.00 O ATOM 649 CB ILE A 45 -1.253 -2.847 -13.084 1.00 0.00 C ATOM 650 CG1 ILE A 45 -1.185 -3.231 -14.564 1.00 0.00 C ATOM 651 CG2 ILE A 45 -2.159 -1.623 -12.916 1.00 0.00 C ATOM 652 CD1 ILE A 45 -2.147 -4.390 -14.835 1.00 0.00 C ATOM 0 H ILE A 45 0.915 -2.034 -14.515 1.00 0.00 H new ATOM 0 HA ILE A 45 0.078 -1.987 -11.628 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.658 -3.680 -12.510 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.446 -2.374 -15.185 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.168 -3.519 -14.830 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.160 -1.859 -13.276 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.208 -1.348 -11.862 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.755 -0.789 -13.490 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.099 -4.664 -15.889 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.865 -5.247 -14.224 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.163 -4.085 -14.585 1.00 0.00 H new ATOM 664 N LYS A 46 0.889 -4.373 -11.203 1.00 0.00 N ATOM 665 CA LYS A 46 1.645 -5.629 -10.940 1.00 0.00 C ATOM 666 C LYS A 46 0.666 -6.791 -10.750 1.00 0.00 C ATOM 667 O LYS A 46 -0.334 -6.667 -10.071 1.00 0.00 O ATOM 668 CB LYS A 46 2.487 -5.460 -9.674 1.00 0.00 C ATOM 669 CG LYS A 46 3.608 -6.500 -9.659 1.00 0.00 C ATOM 670 CD LYS A 46 4.025 -6.781 -8.214 1.00 0.00 C ATOM 671 CE LYS A 46 5.343 -7.559 -8.202 1.00 0.00 C ATOM 672 NZ LYS A 46 5.361 -8.524 -9.338 1.00 0.00 N ATOM 0 H LYS A 46 0.350 -4.018 -10.413 1.00 0.00 H new ATOM 0 HA LYS A 46 2.297 -5.842 -11.787 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.909 -4.456 -9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.860 -5.575 -8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.271 -7.420 -10.137 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.462 -6.138 -10.231 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.139 -5.844 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.249 -7.353 -7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.185 -6.871 -8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.455 -8.091 -7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.109 -9.229 -9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.441 -9.004 -9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.546 -8.013 -10.225 1.00 0.00 H new ATOM 686 N VAL A 47 0.948 -7.919 -11.340 1.00 0.00 N ATOM 687 CA VAL A 47 0.039 -9.091 -11.193 1.00 0.00 C ATOM 688 C VAL A 47 0.858 -10.312 -10.772 1.00 0.00 C ATOM 689 O VAL A 47 1.719 -10.772 -11.494 1.00 0.00 O ATOM 690 CB VAL A 47 -0.651 -9.374 -12.529 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.257 -10.777 -12.505 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.760 -8.344 -12.757 1.00 0.00 C ATOM 0 H VAL A 47 1.772 -8.081 -11.920 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.716 -8.877 -10.436 1.00 0.00 H new ATOM 0 HB VAL A 47 0.079 -9.309 -13.335 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.748 -10.977 -13.457 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.468 -11.511 -12.342 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.987 -10.844 -11.699 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.253 -8.544 -13.709 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.489 -8.410 -11.950 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.329 -7.343 -12.775 1.00 0.00 H new ATOM 702 N ASP A 48 0.602 -10.842 -9.606 1.00 0.00 N ATOM 703 CA ASP A 48 1.375 -12.031 -9.148 1.00 0.00 C ATOM 704 C ASP A 48 0.606 -12.758 -8.045 1.00 0.00 C ATOM 705 O ASP A 48 0.657 -13.966 -7.936 1.00 0.00 O ATOM 706 CB ASP A 48 2.730 -11.580 -8.600 1.00 0.00 C ATOM 707 CG ASP A 48 3.753 -11.540 -9.736 1.00 0.00 C ATOM 708 OD1 ASP A 48 4.234 -12.598 -10.110 1.00 0.00 O ATOM 709 OD2 ASP A 48 4.040 -10.455 -10.211 1.00 0.00 O ATOM 0 H ASP A 48 -0.106 -10.504 -8.954 1.00 0.00 H new ATOM 0 HA ASP A 48 1.523 -12.705 -9.992 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.640 -10.594 -8.143 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.064 -12.264 -7.820 1.00 0.00 H new ATOM 714 N ASP A 49 -0.100 -12.033 -7.223 1.00 0.00 N ATOM 715 CA ASP A 49 -0.867 -12.686 -6.125 1.00 0.00 C ATOM 716 C ASP A 49 -1.919 -13.618 -6.728 1.00 0.00 C ATOM 717 O ASP A 49 -3.083 -13.561 -6.384 1.00 0.00 O ATOM 718 CB ASP A 49 -1.554 -11.615 -5.275 1.00 0.00 C ATOM 719 CG ASP A 49 -2.311 -12.284 -4.126 1.00 0.00 C ATOM 720 OD1 ASP A 49 -2.077 -13.459 -3.893 1.00 0.00 O ATOM 721 OD2 ASP A 49 -3.111 -11.611 -3.497 1.00 0.00 O ATOM 0 H ASP A 49 -0.179 -11.017 -7.264 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.188 -13.263 -5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.814 -10.919 -4.880 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.242 -11.034 -5.889 1.00 0.00 H new ATOM 726 N ASN A 50 -1.515 -14.472 -7.628 1.00 0.00 N ATOM 727 CA ASN A 50 -2.483 -15.411 -8.265 1.00 0.00 C ATOM 728 C ASN A 50 -3.222 -14.687 -9.390 1.00 0.00 C ATOM 729 O ASN A 50 -4.436 -14.651 -9.426 1.00 0.00 O ATOM 730 CB ASN A 50 -3.490 -15.902 -7.223 1.00 0.00 C ATOM 731 CG ASN A 50 -2.804 -16.014 -5.860 1.00 0.00 C ATOM 732 OD1 ASN A 50 -3.366 -15.473 -4.813 1.00 0.00 O flip ATOM 733 ND2 ASN A 50 -1.746 -16.600 -5.746 1.00 0.00 N flip ATOM 0 H ASN A 50 -0.552 -14.561 -7.951 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.944 -16.267 -8.672 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.332 -15.212 -7.162 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.893 -16.871 -7.520 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.307 -17.023 -6.564 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.297 -16.669 -4.833 1.00 0.00 H new ATOM 740 N GLY A 51 -2.498 -14.105 -10.307 1.00 0.00 N ATOM 741 CA GLY A 51 -3.159 -13.380 -11.428 1.00 0.00 C ATOM 742 C GLY A 51 -3.885 -12.154 -10.873 1.00 0.00 C ATOM 743 O GLY A 51 -4.518 -11.411 -11.597 1.00 0.00 O ATOM 0 H GLY A 51 -1.478 -14.100 -10.328 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.418 -13.075 -12.167 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.865 -14.037 -11.936 1.00 0.00 H new ATOM 747 N ILE A 52 -3.799 -11.938 -9.588 1.00 0.00 N ATOM 748 CA ILE A 52 -4.481 -10.765 -8.979 1.00 0.00 C ATOM 749 C ILE A 52 -3.508 -9.586 -8.915 1.00 0.00 C ATOM 750 O ILE A 52 -2.310 -9.747 -9.051 1.00 0.00 O ATOM 751 CB ILE A 52 -4.937 -11.124 -7.564 1.00 0.00 C ATOM 752 CG1 ILE A 52 -6.002 -12.223 -7.635 1.00 0.00 C ATOM 753 CG2 ILE A 52 -5.523 -9.885 -6.885 1.00 0.00 C ATOM 754 CD1 ILE A 52 -7.385 -11.590 -7.806 1.00 0.00 C ATOM 0 H ILE A 52 -3.284 -12.527 -8.934 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.345 -10.491 -9.584 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.084 -11.482 -6.987 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.792 -12.893 -8.469 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.977 -12.826 -6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.848 -10.142 -5.877 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.764 -9.105 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.376 -9.524 -7.460 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.140 -12.374 -7.856 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.594 -10.938 -6.958 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.407 -11.006 -8.726 1.00 0.00 H new ATOM 766 N ILE A 53 -4.014 -8.400 -8.707 1.00 0.00 N ATOM 767 CA ILE A 53 -3.122 -7.211 -8.632 1.00 0.00 C ATOM 768 C ILE A 53 -2.830 -6.889 -7.166 1.00 0.00 C ATOM 769 O ILE A 53 -3.711 -6.524 -6.413 1.00 0.00 O ATOM 770 CB ILE A 53 -3.811 -6.013 -9.290 1.00 0.00 C ATOM 771 CG1 ILE A 53 -4.397 -6.443 -10.636 1.00 0.00 C ATOM 772 CG2 ILE A 53 -2.790 -4.896 -9.513 1.00 0.00 C ATOM 773 CD1 ILE A 53 -4.680 -5.204 -11.488 1.00 0.00 C ATOM 0 H ILE A 53 -5.008 -8.205 -8.586 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.188 -7.422 -9.153 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.609 -5.650 -8.642 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.701 -7.102 -11.154 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.316 -7.008 -10.481 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.281 -4.043 -9.982 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.369 -4.591 -8.555 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.992 -5.257 -10.162 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.098 -5.510 -12.447 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.392 -4.561 -10.970 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.752 -4.657 -11.654 1.00 0.00 H new ATOM 785 N GLU A 54 -1.600 -7.024 -6.753 1.00 0.00 N ATOM 786 CA GLU A 54 -1.254 -6.729 -5.334 1.00 0.00 C ATOM 787 C GLU A 54 -0.692 -5.310 -5.227 1.00 0.00 C ATOM 788 O GLU A 54 -0.966 -4.594 -4.285 1.00 0.00 O ATOM 789 CB GLU A 54 -0.204 -7.730 -4.849 1.00 0.00 C ATOM 790 CG GLU A 54 0.666 -8.170 -6.030 1.00 0.00 C ATOM 791 CD GLU A 54 1.877 -8.946 -5.513 1.00 0.00 C ATOM 792 OE1 GLU A 54 1.925 -9.205 -4.322 1.00 0.00 O ATOM 793 OE2 GLU A 54 2.736 -9.269 -6.317 1.00 0.00 O ATOM 0 H GLU A 54 -0.820 -7.326 -7.337 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.149 -6.811 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.416 -7.277 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.691 -8.596 -4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.085 -8.793 -6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.994 -7.299 -6.597 1.00 0.00 H new ATOM 800 N ASP A 55 0.096 -4.899 -6.184 1.00 0.00 N ATOM 801 CA ASP A 55 0.675 -3.528 -6.131 1.00 0.00 C ATOM 802 C ASP A 55 0.321 -2.767 -7.409 1.00 0.00 C ATOM 803 O ASP A 55 0.143 -3.348 -8.462 1.00 0.00 O ATOM 804 CB ASP A 55 2.197 -3.625 -6.002 1.00 0.00 C ATOM 805 CG ASP A 55 2.557 -4.232 -4.646 1.00 0.00 C ATOM 806 OD1 ASP A 55 2.231 -3.624 -3.639 1.00 0.00 O ATOM 807 OD2 ASP A 55 3.155 -5.297 -4.635 1.00 0.00 O ATOM 0 H ASP A 55 0.363 -5.453 -6.998 1.00 0.00 H new ATOM 0 HA ASP A 55 0.266 -2.997 -5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.602 -4.239 -6.806 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.645 -2.636 -6.100 1.00 0.00 H new ATOM 812 N ALA A 56 0.222 -1.469 -7.325 1.00 0.00 N ATOM 813 CA ALA A 56 -0.114 -0.662 -8.532 1.00 0.00 C ATOM 814 C ALA A 56 0.600 0.688 -8.446 1.00 0.00 C ATOM 815 O ALA A 56 0.158 1.593 -7.765 1.00 0.00 O ATOM 816 CB ALA A 56 -1.627 -0.438 -8.594 1.00 0.00 C ATOM 0 H ALA A 56 0.360 -0.931 -6.470 1.00 0.00 H new ATOM 0 HA ALA A 56 0.208 -1.191 -9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.872 0.152 -9.477 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.135 -1.401 -8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.953 0.094 -7.700 1.00 0.00 H new ATOM 822 N LYS A 57 1.704 0.830 -9.126 1.00 0.00 N ATOM 823 CA LYS A 57 2.449 2.119 -9.077 1.00 0.00 C ATOM 824 C LYS A 57 2.028 3.001 -10.253 1.00 0.00 C ATOM 825 O LYS A 57 1.266 2.595 -11.107 1.00 0.00 O ATOM 826 CB LYS A 57 3.952 1.842 -9.162 1.00 0.00 C ATOM 827 CG LYS A 57 4.206 0.341 -8.999 1.00 0.00 C ATOM 828 CD LYS A 57 5.699 0.099 -8.770 1.00 0.00 C ATOM 829 CE LYS A 57 5.983 -1.404 -8.805 1.00 0.00 C ATOM 830 NZ LYS A 57 7.347 -1.665 -8.266 1.00 0.00 N ATOM 0 H LYS A 57 2.122 0.109 -9.714 1.00 0.00 H new ATOM 0 HA LYS A 57 2.224 2.631 -8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.342 2.185 -10.120 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.479 2.397 -8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.631 -0.047 -8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.872 -0.194 -9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.283 0.608 -9.537 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.003 0.515 -7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.239 -1.939 -8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.907 -1.775 -9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.540 -2.687 -8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.051 -1.166 -8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.404 -1.325 -7.285 1.00 0.00 H new ATOM 844 N PHE A 58 2.520 4.209 -10.302 1.00 0.00 N ATOM 845 CA PHE A 58 2.152 5.122 -11.420 1.00 0.00 C ATOM 846 C PHE A 58 3.123 6.304 -11.454 1.00 0.00 C ATOM 847 O PHE A 58 3.995 6.428 -10.616 1.00 0.00 O ATOM 848 CB PHE A 58 0.728 5.637 -11.207 1.00 0.00 C ATOM 849 CG PHE A 58 0.678 6.476 -9.953 1.00 0.00 C ATOM 850 CD1 PHE A 58 0.535 5.858 -8.705 1.00 0.00 C ATOM 851 CD2 PHE A 58 0.775 7.871 -10.037 1.00 0.00 C ATOM 852 CE1 PHE A 58 0.487 6.634 -7.540 1.00 0.00 C ATOM 853 CE2 PHE A 58 0.727 8.646 -8.872 1.00 0.00 C ATOM 854 CZ PHE A 58 0.584 8.028 -7.624 1.00 0.00 C ATOM 0 H PHE A 58 3.162 4.603 -9.614 1.00 0.00 H new ATOM 0 HA PHE A 58 2.206 4.581 -12.365 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.412 6.229 -12.066 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.036 4.799 -11.125 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.462 4.782 -8.641 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.887 8.348 -10.999 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.375 6.157 -6.577 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.800 9.722 -8.936 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.549 8.627 -6.726 1.00 0.00 H new ATOM 864 N LYS A 59 2.981 7.174 -12.417 1.00 0.00 N ATOM 865 CA LYS A 59 3.896 8.347 -12.501 1.00 0.00 C ATOM 866 C LYS A 59 3.321 9.370 -13.483 1.00 0.00 C ATOM 867 O LYS A 59 3.287 9.148 -14.678 1.00 0.00 O ATOM 868 CB LYS A 59 5.272 7.885 -12.990 1.00 0.00 C ATOM 869 CG LYS A 59 6.318 8.150 -11.904 1.00 0.00 C ATOM 870 CD LYS A 59 7.717 7.888 -12.467 1.00 0.00 C ATOM 871 CE LYS A 59 8.736 7.895 -11.326 1.00 0.00 C ATOM 872 NZ LYS A 59 9.846 6.954 -11.645 1.00 0.00 N ATOM 0 H LYS A 59 2.272 7.123 -13.148 1.00 0.00 H new ATOM 0 HA LYS A 59 3.996 8.804 -11.517 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.245 6.823 -13.232 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.541 8.414 -13.905 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.242 9.180 -11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.135 7.507 -11.043 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.739 6.928 -12.983 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.973 8.651 -13.202 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.129 8.901 -11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.255 7.603 -10.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.539 6.959 -10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.464 5.994 -11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.311 7.252 -12.526 1.00 0.00 H new ATOM 886 N THR A 60 2.870 10.492 -12.991 1.00 0.00 N ATOM 887 CA THR A 60 2.298 11.526 -13.897 1.00 0.00 C ATOM 888 C THR A 60 2.955 12.878 -13.608 1.00 0.00 C ATOM 889 O THR A 60 2.559 13.591 -12.708 1.00 0.00 O ATOM 890 CB THR A 60 0.789 11.633 -13.662 1.00 0.00 C ATOM 891 OG1 THR A 60 0.529 11.641 -12.265 1.00 0.00 O ATOM 892 CG2 THR A 60 0.085 10.440 -14.308 1.00 0.00 C ATOM 0 H THR A 60 2.873 10.736 -12.001 1.00 0.00 H new ATOM 0 HA THR A 60 2.486 11.244 -14.933 1.00 0.00 H new ATOM 0 HB THR A 60 0.415 12.556 -14.106 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.161 12.243 -11.818 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.989 10.517 -14.140 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.286 10.436 -15.379 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.456 9.515 -13.866 1.00 0.00 H new ATOM 900 N TYR A 61 3.954 13.237 -14.367 1.00 0.00 N ATOM 901 CA TYR A 61 4.632 14.544 -14.135 1.00 0.00 C ATOM 902 C TYR A 61 4.413 15.455 -15.343 1.00 0.00 C ATOM 903 O TYR A 61 5.024 15.287 -16.380 1.00 0.00 O ATOM 904 CB TYR A 61 6.130 14.313 -13.934 1.00 0.00 C ATOM 905 CG TYR A 61 6.448 14.350 -12.458 1.00 0.00 C ATOM 906 CD1 TYR A 61 6.289 15.541 -11.737 1.00 0.00 C ATOM 907 CD2 TYR A 61 6.900 13.196 -11.810 1.00 0.00 C ATOM 908 CE1 TYR A 61 6.582 15.575 -10.369 1.00 0.00 C ATOM 909 CE2 TYR A 61 7.194 13.230 -10.442 1.00 0.00 C ATOM 910 CZ TYR A 61 7.034 14.419 -9.721 1.00 0.00 C ATOM 911 OH TYR A 61 7.322 14.452 -8.373 1.00 0.00 O ATOM 0 H TYR A 61 4.330 12.683 -15.137 1.00 0.00 H new ATOM 0 HA TYR A 61 4.215 15.016 -13.245 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.421 13.351 -14.356 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.701 15.078 -14.460 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.940 16.433 -12.237 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.022 12.278 -12.366 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.459 16.493 -9.813 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.544 12.339 -9.943 1.00 0.00 H new ATOM 0 HH TYR A 61 7.622 13.566 -8.081 1.00 0.00 H new ATOM 921 N GLY A 62 3.543 16.418 -15.217 1.00 0.00 N ATOM 922 CA GLY A 62 3.278 17.342 -16.355 1.00 0.00 C ATOM 923 C GLY A 62 1.993 18.123 -16.080 1.00 0.00 C ATOM 924 O GLY A 62 1.908 19.309 -16.327 1.00 0.00 O ATOM 0 H GLY A 62 3.003 16.605 -14.373 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.115 18.029 -16.484 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.183 16.778 -17.283 1.00 0.00 H new ATOM 928 N CYS A 63 0.993 17.464 -15.562 1.00 0.00 N ATOM 929 CA CYS A 63 -0.288 18.165 -15.264 1.00 0.00 C ATOM 930 C CYS A 63 -0.423 18.346 -13.750 1.00 0.00 C ATOM 931 O CYS A 63 -0.697 17.410 -13.026 1.00 0.00 O ATOM 932 CB CYS A 63 -1.459 17.331 -15.785 1.00 0.00 C ATOM 933 SG CYS A 63 -2.975 17.811 -14.920 1.00 0.00 S ATOM 0 H CYS A 63 1.008 16.470 -15.332 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.294 19.140 -15.751 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.577 17.481 -16.858 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.260 16.270 -15.631 1.00 0.00 H new ATOM 0 HG CYS A 63 -2.750 18.875 -14.208 1.00 0.00 H new ATOM 939 N GLY A 64 -0.229 19.542 -13.267 1.00 0.00 N ATOM 940 CA GLY A 64 -0.344 19.781 -11.801 1.00 0.00 C ATOM 941 C GLY A 64 -1.795 19.588 -11.359 1.00 0.00 C ATOM 942 O GLY A 64 -2.502 20.537 -11.086 1.00 0.00 O ATOM 0 H GLY A 64 0.004 20.364 -13.824 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.306 19.094 -11.259 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.012 20.791 -11.560 1.00 0.00 H new ATOM 946 N SER A 65 -2.246 18.365 -11.285 1.00 0.00 N ATOM 947 CA SER A 65 -3.653 18.116 -10.859 1.00 0.00 C ATOM 948 C SER A 65 -4.067 16.697 -11.256 1.00 0.00 C ATOM 949 O SER A 65 -4.700 15.990 -10.497 1.00 0.00 O ATOM 950 CB SER A 65 -4.577 19.126 -11.541 1.00 0.00 C ATOM 951 OG SER A 65 -4.046 19.462 -12.816 1.00 0.00 O ATOM 0 H SER A 65 -1.702 17.529 -11.501 1.00 0.00 H new ATOM 0 HA SER A 65 -3.728 18.225 -9.777 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.577 18.706 -11.650 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.673 20.021 -10.927 1.00 0.00 H new ATOM 0 HG SER A 65 -4.210 18.727 -13.443 1.00 0.00 H new ATOM 957 N ALA A 66 -3.718 16.276 -12.441 1.00 0.00 N ATOM 958 CA ALA A 66 -4.095 14.905 -12.887 1.00 0.00 C ATOM 959 C ALA A 66 -3.563 13.873 -11.889 1.00 0.00 C ATOM 960 O ALA A 66 -3.734 12.683 -12.063 1.00 0.00 O ATOM 961 CB ALA A 66 -3.493 14.635 -14.268 1.00 0.00 C ATOM 0 H ALA A 66 -3.188 16.823 -13.120 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.181 14.829 -12.940 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.768 13.632 -14.595 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.874 15.367 -14.980 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.407 14.714 -14.213 1.00 0.00 H new ATOM 967 N ILE A 67 -2.920 14.318 -10.844 1.00 0.00 N ATOM 968 CA ILE A 67 -2.382 13.359 -9.839 1.00 0.00 C ATOM 969 C ILE A 67 -3.539 12.785 -9.016 1.00 0.00 C ATOM 970 O ILE A 67 -3.708 11.585 -8.918 1.00 0.00 O ATOM 971 CB ILE A 67 -1.398 14.090 -8.916 1.00 0.00 C ATOM 972 CG1 ILE A 67 0.020 13.958 -9.480 1.00 0.00 C ATOM 973 CG2 ILE A 67 -1.444 13.475 -7.515 1.00 0.00 C ATOM 974 CD1 ILE A 67 0.057 14.503 -10.909 1.00 0.00 C ATOM 0 H ILE A 67 -2.744 15.303 -10.643 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.863 12.545 -10.346 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.676 15.142 -8.857 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.724 14.505 -8.853 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.330 12.913 -9.470 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.743 13.998 -6.865 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.452 13.566 -7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.170 12.422 -7.571 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.067 14.408 -11.309 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.635 13.936 -11.533 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.235 15.553 -10.906 1.00 0.00 H new ATOM 986 N ALA A 68 -4.336 13.631 -8.425 1.00 0.00 N ATOM 987 CA ALA A 68 -5.481 13.135 -7.609 1.00 0.00 C ATOM 988 C ALA A 68 -6.059 11.871 -8.249 1.00 0.00 C ATOM 989 O ALA A 68 -5.912 10.780 -7.736 1.00 0.00 O ATOM 990 CB ALA A 68 -6.564 14.214 -7.545 1.00 0.00 C ATOM 0 H ALA A 68 -4.244 14.646 -8.471 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.135 12.904 -6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.402 13.853 -6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.154 15.114 -7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.908 14.444 -8.553 1.00 0.00 H new ATOM 996 N SER A 69 -6.717 12.011 -9.367 1.00 0.00 N ATOM 997 CA SER A 69 -7.307 10.818 -10.040 1.00 0.00 C ATOM 998 C SER A 69 -6.279 9.685 -10.071 1.00 0.00 C ATOM 999 O SER A 69 -6.597 8.539 -9.819 1.00 0.00 O ATOM 1000 CB SER A 69 -7.703 11.185 -11.470 1.00 0.00 C ATOM 1001 OG SER A 69 -8.592 10.200 -11.979 1.00 0.00 O ATOM 0 H SER A 69 -6.872 12.899 -9.844 1.00 0.00 H new ATOM 0 HA SER A 69 -8.189 10.491 -9.489 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.180 12.165 -11.487 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.816 11.251 -12.100 1.00 0.00 H new ATOM 0 HG SER A 69 -8.849 10.433 -12.895 1.00 0.00 H new ATOM 1007 N SER A 70 -5.049 9.993 -10.380 1.00 0.00 N ATOM 1008 CA SER A 70 -4.005 8.931 -10.431 1.00 0.00 C ATOM 1009 C SER A 70 -4.036 8.116 -9.135 1.00 0.00 C ATOM 1010 O SER A 70 -3.826 6.920 -9.139 1.00 0.00 O ATOM 1011 CB SER A 70 -2.628 9.577 -10.592 1.00 0.00 C ATOM 1012 OG SER A 70 -1.782 8.702 -11.324 1.00 0.00 O ATOM 0 H SER A 70 -4.722 10.934 -10.599 1.00 0.00 H new ATOM 0 HA SER A 70 -4.201 8.273 -11.277 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.720 10.531 -11.111 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.195 9.786 -9.614 1.00 0.00 H new ATOM 0 HG SER A 70 -0.894 8.682 -10.909 1.00 0.00 H new ATOM 1018 N SER A 71 -4.296 8.753 -8.026 1.00 0.00 N ATOM 1019 CA SER A 71 -4.338 8.012 -6.734 1.00 0.00 C ATOM 1020 C SER A 71 -5.650 7.230 -6.634 1.00 0.00 C ATOM 1021 O SER A 71 -5.712 6.178 -6.030 1.00 0.00 O ATOM 1022 CB SER A 71 -4.244 9.003 -5.574 1.00 0.00 C ATOM 1023 OG SER A 71 -5.541 9.211 -5.029 1.00 0.00 O ATOM 0 H SER A 71 -4.481 9.754 -7.959 1.00 0.00 H new ATOM 0 HA SER A 71 -3.499 7.318 -6.687 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.571 8.620 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.827 9.948 -5.921 1.00 0.00 H new ATOM 0 HG SER A 71 -6.071 9.759 -5.645 1.00 0.00 H new ATOM 1029 N LEU A 72 -6.701 7.737 -7.220 1.00 0.00 N ATOM 1030 CA LEU A 72 -8.008 7.024 -7.155 1.00 0.00 C ATOM 1031 C LEU A 72 -7.967 5.792 -8.063 1.00 0.00 C ATOM 1032 O LEU A 72 -8.227 4.686 -7.635 1.00 0.00 O ATOM 1033 CB LEU A 72 -9.124 7.963 -7.620 1.00 0.00 C ATOM 1034 CG LEU A 72 -10.467 7.230 -7.579 1.00 0.00 C ATOM 1035 CD1 LEU A 72 -11.304 7.762 -6.414 1.00 0.00 C ATOM 1036 CD2 LEU A 72 -11.216 7.466 -8.892 1.00 0.00 C ATOM 0 H LEU A 72 -6.711 8.614 -7.741 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.199 6.711 -6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.161 8.845 -6.980 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.920 8.312 -8.632 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.294 6.162 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.260 7.240 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.771 7.596 -5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.477 8.830 -6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.173 6.944 -8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.389 8.534 -9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.621 7.088 -9.723 1.00 0.00 H new ATOM 1048 N ILE A 73 -7.647 5.975 -9.315 1.00 0.00 N ATOM 1049 CA ILE A 73 -7.597 4.813 -10.248 1.00 0.00 C ATOM 1050 C ILE A 73 -6.600 3.775 -9.728 1.00 0.00 C ATOM 1051 O ILE A 73 -6.890 2.597 -9.669 1.00 0.00 O ATOM 1052 CB ILE A 73 -7.157 5.291 -11.634 1.00 0.00 C ATOM 1053 CG1 ILE A 73 -7.062 4.090 -12.578 1.00 0.00 C ATOM 1054 CG2 ILE A 73 -5.789 5.968 -11.532 1.00 0.00 C ATOM 1055 CD1 ILE A 73 -7.127 4.574 -14.028 1.00 0.00 C ATOM 0 H ILE A 73 -7.418 6.877 -9.732 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.587 4.361 -10.314 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.885 6.004 -12.021 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.131 3.551 -12.405 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.876 3.393 -12.379 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.477 6.308 -12.519 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.855 6.822 -10.858 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.059 5.257 -11.145 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.059 3.719 -14.700 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.070 5.094 -14.196 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.298 5.254 -14.222 1.00 0.00 H new ATOM 1067 N THR A 74 -5.424 4.201 -9.355 1.00 0.00 N ATOM 1068 CA THR A 74 -4.410 3.236 -8.845 1.00 0.00 C ATOM 1069 C THR A 74 -4.939 2.545 -7.585 1.00 0.00 C ATOM 1070 O THR A 74 -4.660 1.389 -7.337 1.00 0.00 O ATOM 1071 CB THR A 74 -3.116 3.983 -8.511 1.00 0.00 C ATOM 1072 OG1 THR A 74 -3.429 5.170 -7.794 1.00 0.00 O ATOM 1073 CG2 THR A 74 -2.385 4.344 -9.805 1.00 0.00 C ATOM 0 H THR A 74 -5.122 5.175 -9.381 1.00 0.00 H new ATOM 0 HA THR A 74 -4.212 2.486 -9.611 1.00 0.00 H new ATOM 0 HB THR A 74 -2.475 3.347 -7.900 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.388 5.939 -8.400 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.464 4.876 -9.566 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.146 3.433 -10.354 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.023 4.981 -10.418 1.00 0.00 H new ATOM 1081 N GLU A 75 -5.698 3.243 -6.784 1.00 0.00 N ATOM 1082 CA GLU A 75 -6.237 2.620 -5.542 1.00 0.00 C ATOM 1083 C GLU A 75 -7.514 1.844 -5.869 1.00 0.00 C ATOM 1084 O GLU A 75 -8.053 1.139 -5.039 1.00 0.00 O ATOM 1085 CB GLU A 75 -6.555 3.713 -4.518 1.00 0.00 C ATOM 1086 CG GLU A 75 -5.298 4.037 -3.709 1.00 0.00 C ATOM 1087 CD GLU A 75 -5.466 5.394 -3.023 1.00 0.00 C ATOM 1088 OE1 GLU A 75 -6.035 5.424 -1.944 1.00 0.00 O ATOM 1089 OE2 GLU A 75 -5.024 6.381 -3.589 1.00 0.00 O ATOM 0 H GLU A 75 -5.967 4.215 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.494 1.938 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.914 4.608 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.353 3.382 -3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.122 3.261 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.426 4.054 -4.363 1.00 0.00 H new ATOM 1096 N TRP A 76 -8.005 1.968 -7.072 1.00 0.00 N ATOM 1097 CA TRP A 76 -9.247 1.237 -7.448 1.00 0.00 C ATOM 1098 C TRP A 76 -8.882 -0.162 -7.949 1.00 0.00 C ATOM 1099 O TRP A 76 -9.584 -1.121 -7.701 1.00 0.00 O ATOM 1100 CB TRP A 76 -9.975 2.002 -8.554 1.00 0.00 C ATOM 1101 CG TRP A 76 -11.066 2.830 -7.953 1.00 0.00 C ATOM 1102 CD1 TRP A 76 -10.976 3.499 -6.781 1.00 0.00 C ATOM 1103 CD2 TRP A 76 -12.403 3.089 -8.472 1.00 0.00 C ATOM 1104 NE1 TRP A 76 -12.173 4.151 -6.547 1.00 0.00 N ATOM 1105 CE2 TRP A 76 -13.083 3.930 -7.560 1.00 0.00 C ATOM 1106 CE3 TRP A 76 -13.083 2.680 -9.633 1.00 0.00 C ATOM 1107 CZ2 TRP A 76 -14.394 4.349 -7.792 1.00 0.00 C ATOM 1108 CZ3 TRP A 76 -14.403 3.100 -9.868 1.00 0.00 C ATOM 1109 CH2 TRP A 76 -15.057 3.934 -8.950 1.00 0.00 C ATOM 0 H TRP A 76 -7.600 2.544 -7.810 1.00 0.00 H new ATOM 0 HA TRP A 76 -9.897 1.153 -6.577 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -9.274 2.640 -9.092 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.392 1.304 -9.280 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.111 3.521 -6.134 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -12.360 4.725 -5.725 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -12.588 2.040 -10.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -14.893 4.990 -7.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -14.917 2.778 -10.762 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -16.071 4.255 -9.137 1.00 0.00 H new ATOM 1120 N VAL A 77 -7.790 -0.285 -8.652 1.00 0.00 N ATOM 1121 CA VAL A 77 -7.381 -1.622 -9.166 1.00 0.00 C ATOM 1122 C VAL A 77 -6.525 -2.331 -8.117 1.00 0.00 C ATOM 1123 O VAL A 77 -6.492 -3.543 -8.042 1.00 0.00 O ATOM 1124 CB VAL A 77 -6.572 -1.447 -10.452 1.00 0.00 C ATOM 1125 CG1 VAL A 77 -7.445 -0.785 -11.519 1.00 0.00 C ATOM 1126 CG2 VAL A 77 -5.355 -0.564 -10.169 1.00 0.00 C ATOM 0 H VAL A 77 -7.163 0.483 -8.893 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.269 -2.219 -9.374 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.241 -2.422 -10.809 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.868 -0.660 -12.435 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.313 -1.413 -11.719 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.777 0.191 -11.164 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.776 -0.438 -11.084 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.688 0.411 -9.813 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.733 -1.035 -9.408 1.00 0.00 H new ATOM 1136 N LYS A 78 -5.831 -1.582 -7.304 1.00 0.00 N ATOM 1137 CA LYS A 78 -4.976 -2.210 -6.259 1.00 0.00 C ATOM 1138 C LYS A 78 -5.779 -3.282 -5.518 1.00 0.00 C ATOM 1139 O LYS A 78 -6.479 -3.000 -4.566 1.00 0.00 O ATOM 1140 CB LYS A 78 -4.518 -1.140 -5.265 1.00 0.00 C ATOM 1141 CG LYS A 78 -3.092 -1.449 -4.805 1.00 0.00 C ATOM 1142 CD LYS A 78 -2.705 -0.500 -3.668 1.00 0.00 C ATOM 1143 CE LYS A 78 -1.207 -0.196 -3.742 1.00 0.00 C ATOM 1144 NZ LYS A 78 -0.922 0.606 -4.965 1.00 0.00 N ATOM 0 H LYS A 78 -5.820 -0.562 -7.319 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.106 -2.668 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.556 -0.155 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.190 -1.113 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.023 -2.484 -4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.398 -1.338 -5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.278 0.424 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.948 -0.951 -2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.892 0.352 -2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.637 -1.125 -3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.072 0.913 -4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.096 0.025 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.542 1.441 -4.985 1.00 0.00 H new ATOM 1158 N GLY A 79 -5.682 -4.511 -5.946 1.00 0.00 N ATOM 1159 CA GLY A 79 -6.438 -5.598 -5.264 1.00 0.00 C ATOM 1160 C GLY A 79 -7.385 -6.268 -6.261 1.00 0.00 C ATOM 1161 O GLY A 79 -7.732 -7.424 -6.122 1.00 0.00 O ATOM 0 H GLY A 79 -5.112 -4.809 -6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.746 -6.334 -4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.004 -5.191 -4.426 1.00 0.00 H new ATOM 1165 N LYS A 80 -7.807 -5.552 -7.267 1.00 0.00 N ATOM 1166 CA LYS A 80 -8.732 -6.150 -8.271 1.00 0.00 C ATOM 1167 C LYS A 80 -7.955 -7.113 -9.170 1.00 0.00 C ATOM 1168 O LYS A 80 -6.843 -7.500 -8.866 1.00 0.00 O ATOM 1169 CB LYS A 80 -9.348 -5.039 -9.123 1.00 0.00 C ATOM 1170 CG LYS A 80 -10.084 -4.052 -8.215 1.00 0.00 C ATOM 1171 CD LYS A 80 -11.189 -3.351 -9.009 1.00 0.00 C ATOM 1172 CE LYS A 80 -12.548 -3.941 -8.625 1.00 0.00 C ATOM 1173 NZ LYS A 80 -13.499 -3.778 -9.759 1.00 0.00 N ATOM 0 H LYS A 80 -7.551 -4.579 -7.437 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.525 -6.694 -7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.570 -4.523 -9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.038 -5.464 -9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.513 -4.577 -7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.385 -3.316 -7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.175 -2.280 -8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.017 -3.474 -10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.441 -4.997 -8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.935 -3.441 -7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.268 -3.137 -9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.998 -3.379 -10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.897 -4.704 -10.015 1.00 0.00 H new ATOM 1187 N SER A 81 -8.528 -7.506 -10.275 1.00 0.00 N ATOM 1188 CA SER A 81 -7.819 -8.446 -11.188 1.00 0.00 C ATOM 1189 C SER A 81 -7.808 -7.873 -12.607 1.00 0.00 C ATOM 1190 O SER A 81 -8.561 -6.977 -12.930 1.00 0.00 O ATOM 1191 CB SER A 81 -8.538 -9.796 -11.188 1.00 0.00 C ATOM 1192 OG SER A 81 -9.279 -9.933 -9.983 1.00 0.00 O ATOM 0 H SER A 81 -9.456 -7.217 -10.585 1.00 0.00 H new ATOM 0 HA SER A 81 -6.793 -8.580 -10.844 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.204 -9.866 -12.048 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.815 -10.606 -11.278 1.00 0.00 H new ATOM 0 HG SER A 81 -9.743 -10.796 -9.980 1.00 0.00 H new ATOM 1198 N LEU A 82 -6.961 -8.387 -13.457 1.00 0.00 N ATOM 1199 CA LEU A 82 -6.904 -7.872 -14.855 1.00 0.00 C ATOM 1200 C LEU A 82 -8.292 -7.971 -15.488 1.00 0.00 C ATOM 1201 O LEU A 82 -8.706 -7.110 -16.237 1.00 0.00 O ATOM 1202 CB LEU A 82 -5.910 -8.708 -15.665 1.00 0.00 C ATOM 1203 CG LEU A 82 -4.483 -8.276 -15.326 1.00 0.00 C ATOM 1204 CD1 LEU A 82 -3.514 -9.413 -15.654 1.00 0.00 C ATOM 1205 CD2 LEU A 82 -4.116 -7.040 -16.152 1.00 0.00 C ATOM 0 H LEU A 82 -6.307 -9.140 -13.244 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.581 -6.831 -14.849 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.043 -9.767 -15.442 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.096 -8.581 -16.731 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.418 -8.038 -14.264 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.497 -9.105 -15.412 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.775 -10.294 -15.068 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.579 -9.651 -16.716 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.099 -6.731 -15.912 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.181 -7.279 -17.213 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.806 -6.229 -15.920 1.00 0.00 H new ATOM 1217 N GLU A 83 -9.015 -9.016 -15.191 1.00 0.00 N ATOM 1218 CA GLU A 83 -10.376 -9.169 -15.775 1.00 0.00 C ATOM 1219 C GLU A 83 -11.214 -7.937 -15.433 1.00 0.00 C ATOM 1220 O GLU A 83 -12.066 -7.521 -16.193 1.00 0.00 O ATOM 1221 CB GLU A 83 -11.045 -10.416 -15.192 1.00 0.00 C ATOM 1222 CG GLU A 83 -12.518 -10.446 -15.605 1.00 0.00 C ATOM 1223 CD GLU A 83 -13.371 -9.827 -14.496 1.00 0.00 C ATOM 1224 OE1 GLU A 83 -13.003 -9.969 -13.343 1.00 0.00 O ATOM 1225 OE2 GLU A 83 -14.380 -9.223 -14.820 1.00 0.00 O ATOM 0 H GLU A 83 -8.722 -9.770 -14.569 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.299 -9.271 -16.857 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.538 -11.313 -15.548 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.961 -10.412 -14.105 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.657 -9.896 -16.536 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.834 -11.472 -15.791 1.00 0.00 H new ATOM 1232 N GLU A 84 -10.979 -7.348 -14.293 1.00 0.00 N ATOM 1233 CA GLU A 84 -11.760 -6.142 -13.900 1.00 0.00 C ATOM 1234 C GLU A 84 -11.126 -4.897 -14.525 1.00 0.00 C ATOM 1235 O GLU A 84 -11.809 -4.032 -15.036 1.00 0.00 O ATOM 1236 CB GLU A 84 -11.760 -6.011 -12.377 1.00 0.00 C ATOM 1237 CG GLU A 84 -12.708 -7.052 -11.778 1.00 0.00 C ATOM 1238 CD GLU A 84 -12.827 -6.831 -10.270 1.00 0.00 C ATOM 1239 OE1 GLU A 84 -13.689 -6.065 -9.869 1.00 0.00 O ATOM 1240 OE2 GLU A 84 -12.056 -7.432 -9.539 1.00 0.00 O ATOM 0 H GLU A 84 -10.279 -7.650 -13.616 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.786 -6.240 -14.254 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.752 -6.155 -11.989 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.073 -5.008 -12.087 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.690 -6.976 -12.245 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.336 -8.056 -11.980 1.00 0.00 H new ATOM 1247 N ALA A 85 -9.825 -4.801 -14.494 1.00 0.00 N ATOM 1248 CA ALA A 85 -9.153 -3.614 -15.094 1.00 0.00 C ATOM 1249 C ALA A 85 -9.491 -3.546 -16.584 1.00 0.00 C ATOM 1250 O ALA A 85 -9.566 -2.481 -17.167 1.00 0.00 O ATOM 1251 CB ALA A 85 -7.639 -3.738 -14.918 1.00 0.00 C ATOM 0 H ALA A 85 -9.199 -5.492 -14.080 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.499 -2.708 -14.597 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.149 -2.869 -15.357 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.399 -3.791 -13.856 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.288 -4.642 -15.415 1.00 0.00 H new ATOM 1257 N GLY A 86 -9.698 -4.675 -17.203 1.00 0.00 N ATOM 1258 CA GLY A 86 -10.035 -4.679 -18.655 1.00 0.00 C ATOM 1259 C GLY A 86 -11.552 -4.580 -18.822 1.00 0.00 C ATOM 1260 O GLY A 86 -12.146 -5.277 -19.621 1.00 0.00 O ATOM 0 H GLY A 86 -9.648 -5.596 -16.766 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.547 -3.843 -19.156 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.665 -5.591 -19.124 1.00 0.00 H new ATOM 1264 N ALA A 87 -12.184 -3.719 -18.072 1.00 0.00 N ATOM 1265 CA ALA A 87 -13.662 -3.574 -18.185 1.00 0.00 C ATOM 1266 C ALA A 87 -14.070 -2.191 -17.677 1.00 0.00 C ATOM 1267 O ALA A 87 -14.977 -1.569 -18.193 1.00 0.00 O ATOM 1268 CB ALA A 87 -14.347 -4.651 -17.341 1.00 0.00 C ATOM 0 H ALA A 87 -11.740 -3.109 -17.385 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.963 -3.686 -19.226 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -15.429 -4.545 -17.424 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.051 -5.637 -17.699 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -14.050 -4.539 -16.298 1.00 0.00 H new ATOM 1274 N ILE A 88 -13.402 -1.706 -16.666 1.00 0.00 N ATOM 1275 CA ILE A 88 -13.743 -0.363 -16.119 1.00 0.00 C ATOM 1276 C ILE A 88 -13.752 0.662 -17.254 1.00 0.00 C ATOM 1277 O ILE A 88 -13.132 0.471 -18.281 1.00 0.00 O ATOM 1278 CB ILE A 88 -12.696 0.037 -15.077 1.00 0.00 C ATOM 1279 CG1 ILE A 88 -11.325 -0.491 -15.506 1.00 0.00 C ATOM 1280 CG2 ILE A 88 -13.070 -0.564 -13.720 1.00 0.00 C ATOM 1281 CD1 ILE A 88 -10.251 0.045 -14.558 1.00 0.00 C ATOM 0 H ILE A 88 -12.633 -2.183 -16.195 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.728 -0.396 -15.654 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.660 1.123 -14.996 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.324 -1.581 -15.495 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.109 -0.183 -16.529 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.324 -0.279 -12.978 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.047 -0.191 -13.414 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.105 -1.650 -13.800 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.275 -0.331 -14.864 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.247 1.134 -14.592 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.465 -0.286 -13.542 1.00 0.00 H new ATOM 1293 N LYS A 89 -14.451 1.750 -17.076 1.00 0.00 N ATOM 1294 CA LYS A 89 -14.500 2.788 -18.144 1.00 0.00 C ATOM 1295 C LYS A 89 -14.170 4.155 -17.541 1.00 0.00 C ATOM 1296 O LYS A 89 -14.187 4.335 -16.340 1.00 0.00 O ATOM 1297 CB LYS A 89 -15.904 2.828 -18.753 1.00 0.00 C ATOM 1298 CG LYS A 89 -16.074 1.658 -19.724 1.00 0.00 C ATOM 1299 CD LYS A 89 -17.540 1.220 -19.743 1.00 0.00 C ATOM 1300 CE LYS A 89 -17.787 0.312 -20.949 1.00 0.00 C ATOM 1301 NZ LYS A 89 -17.930 1.145 -22.177 1.00 0.00 N ATOM 0 H LYS A 89 -14.990 1.965 -16.237 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.773 2.546 -18.919 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.655 2.772 -17.965 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.059 3.772 -19.275 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.759 1.953 -20.725 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.438 0.826 -19.422 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.785 0.692 -18.821 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.191 2.093 -19.793 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.960 -0.388 -21.066 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.688 -0.282 -20.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.640 0.718 -22.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.233 2.104 -21.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.016 1.195 -22.671 1.00 0.00 H new ATOM 1315 N ASN A 90 -13.873 5.123 -18.365 1.00 0.00 N ATOM 1316 CA ASN A 90 -13.545 6.477 -17.836 1.00 0.00 C ATOM 1317 C ASN A 90 -14.798 7.101 -17.220 1.00 0.00 C ATOM 1318 O ASN A 90 -14.723 7.885 -16.295 1.00 0.00 O ATOM 1319 CB ASN A 90 -13.042 7.362 -18.978 1.00 0.00 C ATOM 1320 CG ASN A 90 -13.769 6.990 -20.271 1.00 0.00 C ATOM 1321 OD1 ASN A 90 -13.534 5.938 -20.832 1.00 0.00 O ATOM 1322 ND2 ASN A 90 -14.647 7.814 -20.773 1.00 0.00 N ATOM 0 H ASN A 90 -13.843 5.035 -19.381 1.00 0.00 H new ATOM 0 HA ASN A 90 -12.770 6.392 -17.074 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -13.214 8.412 -18.741 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -11.967 7.235 -19.104 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -15.136 7.575 -21.636 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -14.845 8.697 -20.303 1.00 0.00 H new ATOM 1329 N SER A 91 -15.952 6.759 -17.726 1.00 0.00 N ATOM 1330 CA SER A 91 -17.209 7.333 -17.169 1.00 0.00 C ATOM 1331 C SER A 91 -17.338 6.947 -15.694 1.00 0.00 C ATOM 1332 O SER A 91 -17.928 7.658 -14.905 1.00 0.00 O ATOM 1333 CB SER A 91 -18.408 6.788 -17.946 1.00 0.00 C ATOM 1334 OG SER A 91 -18.361 5.367 -17.947 1.00 0.00 O ATOM 0 H SER A 91 -16.078 6.107 -18.500 1.00 0.00 H new ATOM 0 HA SER A 91 -17.182 8.419 -17.259 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.337 7.132 -17.492 1.00 0.00 H new ATOM 0 HB3 SER A 91 -18.395 7.164 -18.969 1.00 0.00 H new ATOM 0 HG SER A 91 -18.529 5.033 -17.041 1.00 0.00 H new ATOM 1340 N GLN A 92 -16.791 5.824 -15.317 1.00 0.00 N ATOM 1341 CA GLN A 92 -16.883 5.392 -13.894 1.00 0.00 C ATOM 1342 C GLN A 92 -16.247 6.455 -12.995 1.00 0.00 C ATOM 1343 O GLN A 92 -16.871 6.968 -12.087 1.00 0.00 O ATOM 1344 CB GLN A 92 -16.142 4.065 -13.718 1.00 0.00 C ATOM 1345 CG GLN A 92 -16.571 3.093 -14.818 1.00 0.00 C ATOM 1346 CD GLN A 92 -18.091 3.146 -14.982 1.00 0.00 C ATOM 1347 OE1 GLN A 92 -18.614 4.037 -15.624 1.00 0.00 O ATOM 1348 NE2 GLN A 92 -18.828 2.224 -14.428 1.00 0.00 N ATOM 0 H GLN A 92 -16.285 5.187 -15.932 1.00 0.00 H new ATOM 0 HA GLN A 92 -17.930 5.264 -13.619 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -15.065 4.229 -13.762 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -16.360 3.641 -12.738 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -16.084 3.353 -15.758 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -16.257 2.080 -14.566 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -18.390 1.476 -13.889 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -19.842 2.250 -14.533 1.00 0.00 H new ATOM 1357 N ILE A 93 -15.009 6.789 -13.237 1.00 0.00 N ATOM 1358 CA ILE A 93 -14.334 7.815 -12.393 1.00 0.00 C ATOM 1359 C ILE A 93 -14.934 9.193 -12.685 1.00 0.00 C ATOM 1360 O ILE A 93 -15.121 10.000 -11.795 1.00 0.00 O ATOM 1361 CB ILE A 93 -12.837 7.831 -12.711 1.00 0.00 C ATOM 1362 CG1 ILE A 93 -12.225 6.473 -12.349 1.00 0.00 C ATOM 1363 CG2 ILE A 93 -12.154 8.932 -11.896 1.00 0.00 C ATOM 1364 CD1 ILE A 93 -11.647 5.820 -13.606 1.00 0.00 C ATOM 0 H ILE A 93 -14.436 6.395 -13.983 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.479 7.573 -11.340 1.00 0.00 H new ATOM 0 HB ILE A 93 -12.693 8.024 -13.774 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -11.442 6.603 -11.602 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -12.984 5.827 -11.907 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -11.088 8.944 -12.122 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -12.590 9.898 -12.152 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -12.297 8.740 -10.833 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -11.212 4.855 -13.347 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -12.441 5.676 -14.339 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -10.876 6.464 -14.029 1.00 0.00 H new ATOM 1376 N ALA A 94 -15.233 9.471 -13.924 1.00 0.00 N ATOM 1377 CA ALA A 94 -15.818 10.797 -14.270 1.00 0.00 C ATOM 1378 C ALA A 94 -17.064 11.047 -13.418 1.00 0.00 C ATOM 1379 O ALA A 94 -17.378 12.170 -13.075 1.00 0.00 O ATOM 1380 CB ALA A 94 -16.201 10.815 -15.752 1.00 0.00 C ATOM 0 H ALA A 94 -15.098 8.837 -14.712 1.00 0.00 H new ATOM 0 HA ALA A 94 -15.084 11.578 -14.074 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -16.629 11.785 -16.005 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -15.313 10.640 -16.359 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.934 10.033 -15.948 1.00 0.00 H new ATOM 1386 N GLU A 95 -17.779 10.011 -13.074 1.00 0.00 N ATOM 1387 CA GLU A 95 -19.006 10.193 -12.247 1.00 0.00 C ATOM 1388 C GLU A 95 -18.623 10.250 -10.766 1.00 0.00 C ATOM 1389 O GLU A 95 -19.127 11.061 -10.015 1.00 0.00 O ATOM 1390 CB GLU A 95 -19.959 9.018 -12.480 1.00 0.00 C ATOM 1391 CG GLU A 95 -20.533 9.099 -13.896 1.00 0.00 C ATOM 1392 CD GLU A 95 -21.806 9.944 -13.885 1.00 0.00 C ATOM 1393 OE1 GLU A 95 -22.793 9.486 -13.331 1.00 0.00 O ATOM 1394 OE2 GLU A 95 -21.774 11.035 -14.430 1.00 0.00 O ATOM 0 H GLU A 95 -17.567 9.047 -13.330 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.498 11.123 -12.531 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -19.430 8.075 -12.344 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -20.766 9.040 -11.747 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -19.799 9.537 -14.572 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -20.752 8.098 -14.268 1.00 0.00 H new ATOM 1401 N GLU A 96 -17.739 9.390 -10.337 1.00 0.00 N ATOM 1402 CA GLU A 96 -17.331 9.394 -8.904 1.00 0.00 C ATOM 1403 C GLU A 96 -16.637 10.716 -8.569 1.00 0.00 C ATOM 1404 O GLU A 96 -16.587 11.130 -7.428 1.00 0.00 O ATOM 1405 CB GLU A 96 -16.367 8.234 -8.645 1.00 0.00 C ATOM 1406 CG GLU A 96 -15.996 8.201 -7.161 1.00 0.00 C ATOM 1407 CD GLU A 96 -14.955 9.285 -6.873 1.00 0.00 C ATOM 1408 OE1 GLU A 96 -14.355 9.768 -7.818 1.00 0.00 O ATOM 1409 OE2 GLU A 96 -14.776 9.612 -5.711 1.00 0.00 O ATOM 0 H GLU A 96 -17.283 8.686 -10.917 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.216 9.281 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.829 7.291 -8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.470 8.350 -9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -16.884 8.362 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.600 7.221 -6.896 1.00 0.00 H new ATOM 1416 N LEU A 97 -16.098 11.382 -9.553 1.00 0.00 N ATOM 1417 CA LEU A 97 -15.406 12.674 -9.286 1.00 0.00 C ATOM 1418 C LEU A 97 -16.359 13.834 -9.582 1.00 0.00 C ATOM 1419 O LEU A 97 -16.372 14.832 -8.889 1.00 0.00 O ATOM 1420 CB LEU A 97 -14.170 12.785 -10.182 1.00 0.00 C ATOM 1421 CG LEU A 97 -12.908 12.708 -9.324 1.00 0.00 C ATOM 1422 CD1 LEU A 97 -11.694 12.454 -10.220 1.00 0.00 C ATOM 1423 CD2 LEU A 97 -12.718 14.029 -8.574 1.00 0.00 C ATOM 0 H LEU A 97 -16.107 11.087 -10.530 1.00 0.00 H new ATOM 0 HA LEU A 97 -15.101 12.714 -8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.170 11.983 -10.920 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.191 13.725 -10.733 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.008 11.893 -8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.794 12.399 -9.607 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.827 11.513 -10.754 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.595 13.268 -10.938 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -11.818 13.974 -7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -12.620 14.844 -9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.581 14.211 -7.934 1.00 0.00 H new ATOM 1435 N GLU A 98 -17.157 13.712 -10.608 1.00 0.00 N ATOM 1436 CA GLU A 98 -18.107 14.808 -10.946 1.00 0.00 C ATOM 1437 C GLU A 98 -17.322 16.035 -11.419 1.00 0.00 C ATOM 1438 O GLU A 98 -17.205 17.018 -10.715 1.00 0.00 O ATOM 1439 CB GLU A 98 -18.929 15.170 -9.707 1.00 0.00 C ATOM 1440 CG GLU A 98 -20.365 15.495 -10.122 1.00 0.00 C ATOM 1441 CD GLU A 98 -21.189 14.207 -10.165 1.00 0.00 C ATOM 1442 OE1 GLU A 98 -20.905 13.320 -9.376 1.00 0.00 O ATOM 1443 OE2 GLU A 98 -22.088 14.130 -10.984 1.00 0.00 O ATOM 0 H GLU A 98 -17.192 12.901 -11.226 1.00 0.00 H new ATOM 0 HA GLU A 98 -18.777 14.479 -11.740 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.923 14.341 -8.999 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.484 16.026 -9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -20.808 16.199 -9.417 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.372 15.976 -11.100 1.00 0.00 H new ATOM 1450 N LEU A 99 -16.784 15.984 -12.607 1.00 0.00 N ATOM 1451 CA LEU A 99 -16.008 17.146 -13.122 1.00 0.00 C ATOM 1452 C LEU A 99 -16.592 17.595 -14.464 1.00 0.00 C ATOM 1453 O LEU A 99 -17.118 16.800 -15.217 1.00 0.00 O ATOM 1454 CB LEU A 99 -14.546 16.737 -13.316 1.00 0.00 C ATOM 1455 CG LEU A 99 -14.475 15.519 -14.238 1.00 0.00 C ATOM 1456 CD1 LEU A 99 -13.408 15.749 -15.310 1.00 0.00 C ATOM 1457 CD2 LEU A 99 -14.111 14.279 -13.418 1.00 0.00 C ATOM 0 H LEU A 99 -16.849 15.188 -13.242 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.065 17.966 -12.407 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.980 17.564 -13.744 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.092 16.504 -12.353 1.00 0.00 H new ATOM 0 HG LEU A 99 -15.444 15.370 -14.715 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.358 14.880 -15.966 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.665 16.632 -15.895 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.439 15.899 -14.833 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -14.060 13.411 -14.075 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.143 14.430 -12.940 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.870 14.112 -12.654 1.00 0.00 H new ATOM 1469 N PRO A 100 -16.500 18.864 -14.756 1.00 0.00 N ATOM 1470 CA PRO A 100 -17.026 19.440 -16.028 1.00 0.00 C ATOM 1471 C PRO A 100 -16.332 18.848 -17.258 1.00 0.00 C ATOM 1472 O PRO A 100 -15.233 18.336 -17.175 1.00 0.00 O ATOM 1473 CB PRO A 100 -16.729 20.940 -15.916 1.00 0.00 C ATOM 1474 CG PRO A 100 -15.699 21.077 -14.844 1.00 0.00 C ATOM 1475 CD PRO A 100 -15.883 19.888 -13.904 1.00 0.00 C ATOM 0 HA PRO A 100 -18.086 19.222 -16.158 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -16.362 21.337 -16.863 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -17.631 21.498 -15.664 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -14.696 21.082 -15.270 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -15.822 22.018 -14.307 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -14.931 19.549 -13.496 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -16.521 20.142 -13.057 1.00 0.00 H new ATOM 1483 N PRO A 101 -16.978 18.919 -18.390 1.00 0.00 N ATOM 1484 CA PRO A 101 -16.429 18.383 -19.669 1.00 0.00 C ATOM 1485 C PRO A 101 -15.240 19.202 -20.180 1.00 0.00 C ATOM 1486 O PRO A 101 -14.837 19.084 -21.321 1.00 0.00 O ATOM 1487 CB PRO A 101 -17.603 18.480 -20.645 1.00 0.00 C ATOM 1488 CG PRO A 101 -18.505 19.531 -20.086 1.00 0.00 C ATOM 1489 CD PRO A 101 -18.307 19.521 -18.571 1.00 0.00 C ATOM 0 HA PRO A 101 -16.049 17.369 -19.548 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -17.261 18.749 -21.644 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -18.121 17.525 -20.731 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -18.263 20.509 -20.501 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -19.544 19.325 -20.342 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -18.349 20.528 -18.156 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -19.081 18.938 -18.071 1.00 0.00 H new ATOM 1497 N VAL A 102 -14.671 20.029 -19.346 1.00 0.00 N ATOM 1498 CA VAL A 102 -13.510 20.851 -19.790 1.00 0.00 C ATOM 1499 C VAL A 102 -12.222 20.274 -19.197 1.00 0.00 C ATOM 1500 O VAL A 102 -11.198 20.926 -19.162 1.00 0.00 O ATOM 1501 CB VAL A 102 -13.690 22.291 -19.311 1.00 0.00 C ATOM 1502 CG1 VAL A 102 -15.109 22.762 -19.631 1.00 0.00 C ATOM 1503 CG2 VAL A 102 -13.460 22.357 -17.799 1.00 0.00 C ATOM 0 H VAL A 102 -14.959 20.171 -18.378 1.00 0.00 H new ATOM 0 HA VAL A 102 -13.450 20.836 -20.878 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.971 22.935 -19.818 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -15.237 23.789 -19.289 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -15.274 22.714 -20.707 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -15.829 22.119 -19.125 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -13.588 23.384 -17.456 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.179 21.713 -17.293 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.449 22.021 -17.570 1.00 0.00 H new ATOM 1513 N LYS A 103 -12.266 19.056 -18.730 1.00 0.00 N ATOM 1514 CA LYS A 103 -11.046 18.439 -18.140 1.00 0.00 C ATOM 1515 C LYS A 103 -11.106 16.921 -18.319 1.00 0.00 C ATOM 1516 O LYS A 103 -10.411 16.179 -17.653 1.00 0.00 O ATOM 1517 CB LYS A 103 -10.975 18.774 -16.648 1.00 0.00 C ATOM 1518 CG LYS A 103 -9.536 19.129 -16.271 1.00 0.00 C ATOM 1519 CD LYS A 103 -9.322 18.870 -14.779 1.00 0.00 C ATOM 1520 CE LYS A 103 -8.220 19.791 -14.254 1.00 0.00 C ATOM 1521 NZ LYS A 103 -6.905 19.357 -14.804 1.00 0.00 N ATOM 0 H LYS A 103 -13.095 18.462 -18.732 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.161 18.830 -18.643 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -11.638 19.609 -16.420 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -11.318 17.924 -16.057 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.837 18.533 -16.858 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.336 20.175 -16.502 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.248 19.045 -14.232 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.048 17.828 -14.616 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.425 20.822 -14.543 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.197 19.764 -13.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.148 19.940 -14.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.741 18.358 -14.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.907 19.469 -15.838 1.00 0.00 H new ATOM 1535 N VAL A 104 -11.930 16.453 -19.215 1.00 0.00 N ATOM 1536 CA VAL A 104 -12.035 14.982 -19.438 1.00 0.00 C ATOM 1537 C VAL A 104 -10.661 14.423 -19.811 1.00 0.00 C ATOM 1538 O VAL A 104 -10.440 13.228 -19.791 1.00 0.00 O ATOM 1539 CB VAL A 104 -13.023 14.708 -20.573 1.00 0.00 C ATOM 1540 CG1 VAL A 104 -13.367 13.218 -20.600 1.00 0.00 C ATOM 1541 CG2 VAL A 104 -14.301 15.524 -20.346 1.00 0.00 C ATOM 0 H VAL A 104 -12.536 17.025 -19.803 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.387 14.500 -18.526 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.573 14.994 -21.524 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.071 13.022 -21.409 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.458 12.638 -20.761 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.817 12.931 -19.650 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.006 15.329 -21.155 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.751 15.238 -19.396 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.056 16.586 -20.326 1.00 0.00 H new ATOM 1551 N HIS A 105 -9.734 15.277 -20.148 1.00 0.00 N ATOM 1552 CA HIS A 105 -8.375 14.793 -20.520 1.00 0.00 C ATOM 1553 C HIS A 105 -7.855 13.850 -19.433 1.00 0.00 C ATOM 1554 O HIS A 105 -7.050 12.976 -19.688 1.00 0.00 O ATOM 1555 CB HIS A 105 -7.428 15.985 -20.657 1.00 0.00 C ATOM 1556 CG HIS A 105 -7.798 16.782 -21.878 1.00 0.00 C ATOM 1557 ND1 HIS A 105 -8.667 17.864 -21.821 1.00 0.00 N ATOM 1558 CD2 HIS A 105 -7.426 16.669 -23.195 1.00 0.00 C ATOM 1559 CE1 HIS A 105 -8.787 18.354 -23.069 1.00 0.00 C ATOM 1560 NE2 HIS A 105 -8.052 17.662 -23.940 1.00 0.00 N ATOM 0 H HIS A 105 -9.859 16.289 -20.182 1.00 0.00 H new ATOM 0 HA HIS A 105 -8.426 14.260 -21.470 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -7.486 16.613 -19.768 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -6.398 15.638 -20.735 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -6.752 15.924 -23.591 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -9.402 19.202 -23.332 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -7.967 17.827 -24.943 1.00 0.00 H new ATOM 1568 N CYS A 106 -8.308 14.020 -18.221 1.00 0.00 N ATOM 1569 CA CYS A 106 -7.839 13.134 -17.119 1.00 0.00 C ATOM 1570 C CYS A 106 -8.553 11.784 -17.209 1.00 0.00 C ATOM 1571 O CYS A 106 -7.986 10.798 -17.637 1.00 0.00 O ATOM 1572 CB CYS A 106 -8.152 13.787 -15.771 1.00 0.00 C ATOM 1573 SG CYS A 106 -6.769 14.848 -15.280 1.00 0.00 S ATOM 0 H CYS A 106 -8.983 14.734 -17.947 1.00 0.00 H new ATOM 0 HA CYS A 106 -6.763 12.982 -17.209 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.067 14.374 -15.843 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.323 13.021 -15.015 1.00 0.00 H new ATOM 0 HG CYS A 106 -7.035 15.405 -14.136 1.00 0.00 H new ATOM 1579 N SER A 107 -9.795 11.731 -16.810 1.00 0.00 N ATOM 1580 CA SER A 107 -10.543 10.444 -16.874 1.00 0.00 C ATOM 1581 C SER A 107 -10.121 9.670 -18.124 1.00 0.00 C ATOM 1582 O SER A 107 -10.082 8.456 -18.131 1.00 0.00 O ATOM 1583 CB SER A 107 -12.045 10.733 -16.931 1.00 0.00 C ATOM 1584 OG SER A 107 -12.659 10.252 -15.744 1.00 0.00 O ATOM 0 H SER A 107 -10.323 12.523 -16.443 1.00 0.00 H new ATOM 0 HA SER A 107 -10.321 9.848 -15.989 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.218 11.804 -17.035 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.487 10.252 -17.804 1.00 0.00 H new ATOM 0 HG SER A 107 -13.294 9.541 -15.969 1.00 0.00 H new ATOM 1590 N ILE A 108 -9.803 10.364 -19.183 1.00 0.00 N ATOM 1591 CA ILE A 108 -9.384 9.668 -20.432 1.00 0.00 C ATOM 1592 C ILE A 108 -8.028 8.995 -20.209 1.00 0.00 C ATOM 1593 O ILE A 108 -7.873 7.807 -20.412 1.00 0.00 O ATOM 1594 CB ILE A 108 -9.270 10.688 -21.567 1.00 0.00 C ATOM 1595 CG1 ILE A 108 -10.642 10.876 -22.219 1.00 0.00 C ATOM 1596 CG2 ILE A 108 -8.273 10.184 -22.613 1.00 0.00 C ATOM 1597 CD1 ILE A 108 -10.621 12.122 -23.105 1.00 0.00 C ATOM 0 H ILE A 108 -9.815 11.383 -19.237 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.124 8.912 -20.696 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.922 11.640 -21.166 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.897 9.999 -22.814 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -11.410 10.975 -21.452 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.193 10.912 -23.420 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.296 10.049 -22.149 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.618 9.232 -23.016 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -11.598 12.255 -23.569 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.385 12.996 -22.498 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.864 12.004 -23.881 1.00 0.00 H new ATOM 1609 N LEU A 109 -7.045 9.744 -19.788 1.00 0.00 N ATOM 1610 CA LEU A 109 -5.702 9.147 -19.550 1.00 0.00 C ATOM 1611 C LEU A 109 -5.816 8.048 -18.492 1.00 0.00 C ATOM 1612 O LEU A 109 -4.961 7.193 -18.375 1.00 0.00 O ATOM 1613 CB LEU A 109 -4.742 10.231 -19.056 1.00 0.00 C ATOM 1614 CG LEU A 109 -3.955 10.796 -20.239 1.00 0.00 C ATOM 1615 CD1 LEU A 109 -4.923 11.183 -21.359 1.00 0.00 C ATOM 1616 CD2 LEU A 109 -3.177 12.034 -19.788 1.00 0.00 C ATOM 0 H LEU A 109 -7.115 10.744 -19.599 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.322 8.722 -20.479 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.299 11.028 -18.563 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.058 9.816 -18.316 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.259 10.042 -20.606 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.362 11.586 -22.202 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.478 10.302 -21.681 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.620 11.937 -20.993 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.615 12.438 -20.630 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.874 12.788 -19.421 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.487 11.759 -18.990 1.00 0.00 H new ATOM 1628 N ALA A 110 -6.866 8.067 -17.716 1.00 0.00 N ATOM 1629 CA ALA A 110 -7.037 7.026 -16.664 1.00 0.00 C ATOM 1630 C ALA A 110 -7.397 5.691 -17.319 1.00 0.00 C ATOM 1631 O ALA A 110 -6.649 4.736 -17.253 1.00 0.00 O ATOM 1632 CB ALA A 110 -8.157 7.445 -15.709 1.00 0.00 C ATOM 0 H ALA A 110 -7.613 8.760 -17.766 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.106 6.917 -16.107 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.283 6.684 -14.939 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.900 8.395 -15.241 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.088 7.555 -16.266 1.00 0.00 H new ATOM 1638 N GLU A 111 -8.538 5.615 -17.949 1.00 0.00 N ATOM 1639 CA GLU A 111 -8.941 4.339 -18.606 1.00 0.00 C ATOM 1640 C GLU A 111 -7.965 4.020 -19.740 1.00 0.00 C ATOM 1641 O GLU A 111 -7.505 2.904 -19.879 1.00 0.00 O ATOM 1642 CB GLU A 111 -10.356 4.479 -19.171 1.00 0.00 C ATOM 1643 CG GLU A 111 -10.693 3.249 -20.016 1.00 0.00 C ATOM 1644 CD GLU A 111 -10.564 3.595 -21.500 1.00 0.00 C ATOM 1645 OE1 GLU A 111 -11.248 4.506 -21.936 1.00 0.00 O ATOM 1646 OE2 GLU A 111 -9.785 2.944 -22.174 1.00 0.00 O ATOM 0 H GLU A 111 -9.207 6.380 -18.037 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.923 3.532 -17.874 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.075 4.583 -18.358 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.429 5.381 -19.778 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.022 2.427 -19.764 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.706 2.912 -19.798 1.00 0.00 H new ATOM 1653 N ASP A 112 -7.642 4.990 -20.552 1.00 0.00 N ATOM 1654 CA ASP A 112 -6.692 4.735 -21.671 1.00 0.00 C ATOM 1655 C ASP A 112 -5.401 4.137 -21.109 1.00 0.00 C ATOM 1656 O ASP A 112 -4.778 3.291 -21.720 1.00 0.00 O ATOM 1657 CB ASP A 112 -6.377 6.052 -22.383 1.00 0.00 C ATOM 1658 CG ASP A 112 -6.198 5.793 -23.881 1.00 0.00 C ATOM 1659 OD1 ASP A 112 -5.770 4.704 -24.227 1.00 0.00 O ATOM 1660 OD2 ASP A 112 -6.491 6.688 -24.657 1.00 0.00 O ATOM 0 H ASP A 112 -7.994 5.945 -20.489 1.00 0.00 H new ATOM 0 HA ASP A 112 -7.140 4.039 -22.380 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.183 6.767 -22.221 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.471 6.494 -21.969 1.00 0.00 H new ATOM 1665 N ALA A 113 -4.997 4.569 -19.947 1.00 0.00 N ATOM 1666 CA ALA A 113 -3.749 4.027 -19.341 1.00 0.00 C ATOM 1667 C ALA A 113 -3.923 2.531 -19.069 1.00 0.00 C ATOM 1668 O ALA A 113 -3.169 1.711 -19.554 1.00 0.00 O ATOM 1669 CB ALA A 113 -3.463 4.754 -18.025 1.00 0.00 C ATOM 0 H ALA A 113 -5.478 5.275 -19.390 1.00 0.00 H new ATOM 0 HA ALA A 113 -2.916 4.178 -20.028 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.550 4.358 -17.581 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.340 5.820 -18.217 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.295 4.603 -17.338 1.00 0.00 H new ATOM 1675 N ILE A 114 -4.910 2.170 -18.295 1.00 0.00 N ATOM 1676 CA ILE A 114 -5.129 0.727 -17.993 1.00 0.00 C ATOM 1677 C ILE A 114 -5.134 -0.071 -19.299 1.00 0.00 C ATOM 1678 O ILE A 114 -4.658 -1.188 -19.358 1.00 0.00 O ATOM 1679 CB ILE A 114 -6.471 0.557 -17.266 1.00 0.00 C ATOM 1680 CG1 ILE A 114 -6.344 -0.544 -16.209 1.00 0.00 C ATOM 1681 CG2 ILE A 114 -7.568 0.174 -18.265 1.00 0.00 C ATOM 1682 CD1 ILE A 114 -6.032 0.086 -14.852 1.00 0.00 C ATOM 0 H ILE A 114 -5.573 2.811 -17.859 1.00 0.00 H new ATOM 0 HA ILE A 114 -4.327 0.358 -17.353 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.736 1.500 -16.788 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.270 -1.117 -16.152 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -5.554 -1.242 -16.488 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.515 0.056 -17.738 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.666 0.958 -19.016 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -7.305 -0.765 -18.752 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -5.942 -0.697 -14.099 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -5.095 0.639 -14.914 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -6.837 0.766 -14.573 1.00 0.00 H new ATOM 1694 N LYS A 115 -5.669 0.494 -20.347 1.00 0.00 N ATOM 1695 CA LYS A 115 -5.705 -0.229 -21.649 1.00 0.00 C ATOM 1696 C LYS A 115 -4.276 -0.480 -22.133 1.00 0.00 C ATOM 1697 O LYS A 115 -3.973 -1.516 -22.691 1.00 0.00 O ATOM 1698 CB LYS A 115 -6.453 0.619 -22.681 1.00 0.00 C ATOM 1699 CG LYS A 115 -6.318 -0.020 -24.065 1.00 0.00 C ATOM 1700 CD LYS A 115 -7.707 -0.212 -24.679 1.00 0.00 C ATOM 1701 CE LYS A 115 -7.579 -0.341 -26.198 1.00 0.00 C ATOM 1702 NZ LYS A 115 -8.634 -1.260 -26.709 1.00 0.00 N ATOM 0 H LYS A 115 -6.083 1.426 -20.357 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.217 -1.183 -21.522 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.505 0.699 -22.407 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.050 1.632 -22.696 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.708 0.612 -24.711 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.809 -0.980 -23.985 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.179 -1.103 -24.266 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -8.348 0.633 -24.428 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -7.677 0.638 -26.666 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.592 -0.722 -26.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.547 -1.348 -27.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.521 -2.196 -26.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.572 -0.878 -26.472 1.00 0.00 H new ATOM 1716 N ALA A 116 -3.394 0.459 -21.924 1.00 0.00 N ATOM 1717 CA ALA A 116 -1.987 0.272 -22.373 1.00 0.00 C ATOM 1718 C ALA A 116 -1.318 -0.807 -21.518 1.00 0.00 C ATOM 1719 O ALA A 116 -0.595 -1.648 -22.016 1.00 0.00 O ATOM 1720 CB ALA A 116 -1.223 1.588 -22.223 1.00 0.00 C ATOM 0 H ALA A 116 -3.588 1.347 -21.462 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.978 -0.035 -23.419 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.193 1.450 -22.552 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.699 2.356 -22.832 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.232 1.897 -21.178 1.00 0.00 H new ATOM 1726 N ALA A 117 -1.551 -0.790 -20.234 1.00 0.00 N ATOM 1727 CA ALA A 117 -0.926 -1.813 -19.350 1.00 0.00 C ATOM 1728 C ALA A 117 -1.421 -3.205 -19.750 1.00 0.00 C ATOM 1729 O ALA A 117 -0.672 -4.161 -19.759 1.00 0.00 O ATOM 1730 CB ALA A 117 -1.314 -1.535 -17.896 1.00 0.00 C ATOM 0 H ALA A 117 -2.147 -0.112 -19.759 1.00 0.00 H new ATOM 0 HA ALA A 117 0.158 -1.768 -19.454 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.857 -2.283 -17.248 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.963 -0.544 -17.609 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.398 -1.580 -17.794 1.00 0.00 H new ATOM 1736 N ILE A 118 -2.677 -3.326 -20.080 1.00 0.00 N ATOM 1737 CA ILE A 118 -3.217 -4.657 -20.478 1.00 0.00 C ATOM 1738 C ILE A 118 -2.654 -5.049 -21.846 1.00 0.00 C ATOM 1739 O ILE A 118 -2.298 -6.187 -22.078 1.00 0.00 O ATOM 1740 CB ILE A 118 -4.743 -4.586 -20.555 1.00 0.00 C ATOM 1741 CG1 ILE A 118 -5.311 -4.337 -19.155 1.00 0.00 C ATOM 1742 CG2 ILE A 118 -5.290 -5.907 -21.098 1.00 0.00 C ATOM 1743 CD1 ILE A 118 -6.815 -4.075 -19.254 1.00 0.00 C ATOM 0 H ILE A 118 -3.353 -2.562 -20.091 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.925 -5.403 -19.739 1.00 0.00 H new ATOM 0 HB ILE A 118 -5.036 -3.772 -21.219 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.123 -5.200 -18.516 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.812 -3.484 -18.695 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.377 -5.856 -21.153 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.885 -6.087 -22.094 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.998 -6.722 -20.435 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.220 -3.898 -18.258 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -6.991 -3.199 -19.878 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.307 -4.941 -19.697 1.00 0.00 H new ATOM 1755 N ALA A 119 -2.568 -4.114 -22.753 1.00 0.00 N ATOM 1756 CA ALA A 119 -2.026 -4.434 -24.103 1.00 0.00 C ATOM 1757 C ALA A 119 -0.577 -4.908 -23.972 1.00 0.00 C ATOM 1758 O ALA A 119 -0.184 -5.901 -24.550 1.00 0.00 O ATOM 1759 CB ALA A 119 -2.077 -3.183 -24.983 1.00 0.00 C ATOM 0 H ALA A 119 -2.850 -3.143 -22.617 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.626 -5.222 -24.558 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.680 -3.417 -25.971 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.109 -2.846 -25.077 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.478 -2.394 -24.529 1.00 0.00 H new ATOM 1765 N ASP A 120 0.219 -4.205 -23.213 1.00 0.00 N ATOM 1766 CA ASP A 120 1.642 -4.615 -23.047 1.00 0.00 C ATOM 1767 C ASP A 120 1.717 -5.825 -22.114 1.00 0.00 C ATOM 1768 O ASP A 120 2.714 -6.517 -22.059 1.00 0.00 O ATOM 1769 CB ASP A 120 2.439 -3.456 -22.443 1.00 0.00 C ATOM 1770 CG ASP A 120 3.037 -2.608 -23.567 1.00 0.00 C ATOM 1771 OD1 ASP A 120 3.827 -3.140 -24.328 1.00 0.00 O ATOM 1772 OD2 ASP A 120 2.693 -1.440 -23.648 1.00 0.00 O ATOM 0 H ASP A 120 -0.054 -3.366 -22.702 1.00 0.00 H new ATOM 0 HA ASP A 120 2.061 -4.877 -24.018 1.00 0.00 H new ATOM 0 HB2 ASP A 120 1.792 -2.843 -21.816 1.00 0.00 H new ATOM 0 HB3 ASP A 120 3.232 -3.841 -21.802 1.00 0.00 H new ATOM 1777 N TYR A 121 0.669 -6.089 -21.381 1.00 0.00 N ATOM 1778 CA TYR A 121 0.683 -7.255 -20.454 1.00 0.00 C ATOM 1779 C TYR A 121 0.422 -8.539 -21.245 1.00 0.00 C ATOM 1780 O TYR A 121 0.908 -9.598 -20.904 1.00 0.00 O ATOM 1781 CB TYR A 121 -0.406 -7.079 -19.394 1.00 0.00 C ATOM 1782 CG TYR A 121 -0.421 -8.285 -18.486 1.00 0.00 C ATOM 1783 CD1 TYR A 121 0.536 -8.412 -17.473 1.00 0.00 C ATOM 1784 CD2 TYR A 121 -1.391 -9.280 -18.661 1.00 0.00 C ATOM 1785 CE1 TYR A 121 0.523 -9.531 -16.632 1.00 0.00 C ATOM 1786 CE2 TYR A 121 -1.405 -10.400 -17.821 1.00 0.00 C ATOM 1787 CZ TYR A 121 -0.448 -10.526 -16.807 1.00 0.00 C ATOM 1788 OH TYR A 121 -0.461 -11.630 -15.980 1.00 0.00 O ATOM 0 H TYR A 121 -0.195 -5.547 -21.385 1.00 0.00 H new ATOM 0 HA TYR A 121 1.656 -7.319 -19.967 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.221 -6.175 -18.813 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -1.378 -6.958 -19.872 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.285 -7.646 -17.340 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -2.128 -9.183 -19.444 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.261 -9.627 -15.849 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.154 -11.167 -17.955 1.00 0.00 H new ATOM 0 HH TYR A 121 -1.199 -12.222 -16.236 1.00 0.00 H new ATOM 1798 N LYS A 122 -0.347 -8.453 -22.297 1.00 0.00 N ATOM 1799 CA LYS A 122 -0.642 -9.669 -23.105 1.00 0.00 C ATOM 1800 C LYS A 122 0.348 -9.762 -24.269 1.00 0.00 C ATOM 1801 O LYS A 122 0.584 -10.822 -24.813 1.00 0.00 O ATOM 1802 CB LYS A 122 -2.068 -9.584 -23.654 1.00 0.00 C ATOM 1803 CG LYS A 122 -2.452 -10.922 -24.288 1.00 0.00 C ATOM 1804 CD LYS A 122 -3.917 -11.233 -23.977 1.00 0.00 C ATOM 1805 CE LYS A 122 -4.373 -12.434 -24.808 1.00 0.00 C ATOM 1806 NZ LYS A 122 -5.826 -12.304 -25.113 1.00 0.00 N ATOM 0 H LYS A 122 -0.783 -7.593 -22.631 1.00 0.00 H new ATOM 0 HA LYS A 122 -0.547 -10.554 -22.476 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.764 -9.337 -22.852 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.137 -8.786 -24.393 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -2.299 -10.883 -25.366 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.811 -11.716 -23.904 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.037 -11.446 -22.915 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.539 -10.366 -24.200 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -3.800 -12.488 -25.733 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.186 -13.359 -24.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.137 -13.120 -25.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.366 -12.272 -24.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.991 -11.429 -25.650 1.00 0.00 H new ATOM 1820 N ALA A 123 0.929 -8.659 -24.655 1.00 0.00 N ATOM 1821 CA ALA A 123 1.901 -8.684 -25.784 1.00 0.00 C ATOM 1822 C ALA A 123 3.234 -9.258 -25.297 1.00 0.00 C ATOM 1823 O ALA A 123 4.060 -9.681 -26.080 1.00 0.00 O ATOM 1824 CB ALA A 123 2.117 -7.262 -26.303 1.00 0.00 C ATOM 0 H ALA A 123 0.772 -7.742 -24.237 1.00 0.00 H new ATOM 0 HA ALA A 123 1.509 -9.308 -26.587 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.828 -7.280 -27.129 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.168 -6.853 -26.650 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.509 -6.637 -25.500 1.00 0.00 H new ATOM 1830 N LYS A 124 3.451 -9.273 -24.010 1.00 0.00 N ATOM 1831 CA LYS A 124 4.731 -9.818 -23.477 1.00 0.00 C ATOM 1832 C LYS A 124 4.742 -11.341 -23.632 1.00 0.00 C ATOM 1833 O LYS A 124 5.499 -12.035 -22.984 1.00 0.00 O ATOM 1834 CB LYS A 124 4.861 -9.454 -21.995 1.00 0.00 C ATOM 1835 CG LYS A 124 6.165 -8.683 -21.769 1.00 0.00 C ATOM 1836 CD LYS A 124 6.013 -7.254 -22.299 1.00 0.00 C ATOM 1837 CE LYS A 124 7.016 -7.016 -23.431 1.00 0.00 C ATOM 1838 NZ LYS A 124 8.351 -7.543 -23.032 1.00 0.00 N ATOM 0 H LYS A 124 2.797 -8.932 -23.305 1.00 0.00 H new ATOM 0 HA LYS A 124 5.567 -9.391 -24.031 1.00 0.00 H new ATOM 0 HB2 LYS A 124 4.010 -8.849 -21.683 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.850 -10.358 -21.386 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.409 -8.664 -20.707 1.00 0.00 H new ATOM 0 HG3 LYS A 124 6.989 -9.185 -22.277 1.00 0.00 H new ATOM 0 HD2 LYS A 124 4.997 -7.096 -22.661 1.00 0.00 H new ATOM 0 HD3 LYS A 124 6.180 -6.537 -21.495 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.676 -7.509 -24.342 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.085 -5.951 -23.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.097 -6.962 -23.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.443 -7.508 -21.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 8.446 -8.527 -23.355 1.00 0.00 H new