USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 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 50 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Set 1.3: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 32 ASN : amide:sc= 0 X(o=-0.22,f=-0.22) USER MOD Set 3.2: A 93 CYS SG : rot 51:sc= -0.219 USER MOD Set 4.1: A 29 HIS : no HE2:sc= -1 K(o=-1,f=-1.9) USER MOD Set 4.2: A 64 GLN : amide:sc= 0 X(o=-1,f=-1.2) USER MOD Single : A 31 SER OG : rot 180:sc= -0.228 USER MOD Single : A 35 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.22) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 1:sc= 0.625 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.077) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -151:sc= -1.85 (180deg=-3.85!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 160:sc= -4.07! (180deg=-5.38!) USER MOD Single : A 71 THR OG1 : rot 165:sc= -0.0153 USER MOD Single : A 76 MET CE :methyl -122:sc= -4.48! (180deg=-9.51!) USER MOD Single : A 78 MET CE :methyl -117:sc= -5.42! (180deg=-7.71!) USER MOD Single : A 82 CYS SG : rot -25:sc= -1.98! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 355 N GLY A 25 -8.540 9.471 -8.916 1.00 0.00 N ATOM 356 CA GLY A 25 -7.320 9.247 -8.162 1.00 0.00 C ATOM 357 C GLY A 25 -7.256 7.857 -7.562 1.00 0.00 C ATOM 358 O GLY A 25 -7.764 7.625 -6.464 1.00 0.00 O ATOM 0 HA2 GLY A 25 -6.460 9.397 -8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.248 9.987 -7.365 1.00 0.00 H new ATOM 362 N ARG A 26 -6.633 6.930 -8.282 1.00 0.00 N ATOM 363 CA ARG A 26 -6.508 5.556 -7.813 1.00 0.00 C ATOM 364 C ARG A 26 -5.099 5.284 -7.292 1.00 0.00 C ATOM 365 O ARG A 26 -4.162 5.106 -8.071 1.00 0.00 O ATOM 366 CB ARG A 26 -6.843 4.577 -8.941 1.00 0.00 C ATOM 367 CG ARG A 26 -8.326 4.514 -9.271 1.00 0.00 C ATOM 368 CD ARG A 26 -8.565 4.568 -10.772 1.00 0.00 C ATOM 369 NE ARG A 26 -9.273 5.782 -11.170 1.00 0.00 N ATOM 370 CZ ARG A 26 -8.666 6.936 -11.425 1.00 0.00 C ATOM 371 NH1 ARG A 26 -7.347 7.032 -11.323 1.00 0.00 N ATOM 372 NH2 ARG A 26 -9.379 7.997 -11.782 1.00 0.00 N ATOM 0 H ARG A 26 -6.207 7.106 -9.192 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.213 5.413 -6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.292 4.865 -9.836 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.499 3.581 -8.661 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.751 3.596 -8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.843 5.344 -8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.609 4.518 -11.293 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.141 3.695 -11.079 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.288 5.742 -11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.796 6.219 -11.048 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.884 7.919 -11.519 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.394 7.927 -11.861 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.912 8.883 -11.978 1.00 0.00 H new ATOM 386 N VAL A 27 -4.957 5.254 -5.971 1.00 0.00 N ATOM 387 CA VAL A 27 -3.664 5.003 -5.347 1.00 0.00 C ATOM 388 C VAL A 27 -3.792 4.014 -4.194 1.00 0.00 C ATOM 389 O VAL A 27 -4.571 4.227 -3.264 1.00 0.00 O ATOM 390 CB VAL A 27 -3.033 6.307 -4.821 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.869 6.000 -3.892 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.584 7.185 -5.979 1.00 0.00 C ATOM 0 H VAL A 27 -5.722 5.400 -5.312 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.019 4.578 -6.116 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.787 6.852 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.436 6.933 -3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.224 5.413 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.111 5.434 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.141 8.102 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.846 6.650 -6.576 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.443 7.433 -6.602 1.00 0.00 H new ATOM 402 N ILE A 28 -3.024 2.932 -4.262 1.00 0.00 N ATOM 403 CA ILE A 28 -3.050 1.910 -3.224 1.00 0.00 C ATOM 404 C ILE A 28 -2.061 2.233 -2.109 1.00 0.00 C ATOM 405 O ILE A 28 -0.847 2.171 -2.305 1.00 0.00 O ATOM 406 CB ILE A 28 -2.726 0.518 -3.796 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.795 0.095 -4.806 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.617 -0.504 -2.674 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.116 -0.276 -4.167 1.00 0.00 C ATOM 0 H ILE A 28 -2.376 2.741 -5.026 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.061 1.900 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.766 0.568 -4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.958 0.909 -5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.426 -0.756 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.388 -1.483 -3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.823 -0.208 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.563 -0.554 -2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.826 -0.565 -4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.967 -1.110 -3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.507 0.580 -3.617 1.00 0.00 H new ATOM 421 N HIS A 29 -2.588 2.575 -0.938 1.00 0.00 N ATOM 422 CA HIS A 29 -1.751 2.905 0.209 1.00 0.00 C ATOM 423 C HIS A 29 -1.359 1.646 0.976 1.00 0.00 C ATOM 424 O HIS A 29 -2.213 0.955 1.535 1.00 0.00 O ATOM 425 CB HIS A 29 -2.482 3.875 1.139 1.00 0.00 C ATOM 426 CG HIS A 29 -1.562 4.724 1.962 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.925 5.956 2.466 1.00 0.00 N ATOM 428 CD2 HIS A 29 -0.288 4.512 2.367 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.913 6.465 3.146 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.092 5.609 3.103 1.00 0.00 N ATOM 0 H HIS A 29 -3.591 2.631 -0.759 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.843 3.382 -0.161 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.124 4.523 0.543 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.132 3.307 1.805 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.832 6.404 2.334 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.317 3.643 2.152 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.908 7.419 3.651 1.00 0.00 H new ATOM 438 N LEU A 30 -0.064 1.353 1.000 1.00 0.00 N ATOM 439 CA LEU A 30 0.443 0.175 1.697 1.00 0.00 C ATOM 440 C LEU A 30 1.331 0.577 2.870 1.00 0.00 C ATOM 441 O LEU A 30 2.457 1.035 2.681 1.00 0.00 O ATOM 442 CB LEU A 30 1.226 -0.717 0.732 1.00 0.00 C ATOM 443 CG LEU A 30 0.426 -1.320 -0.423 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.318 -1.533 -1.636 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.220 -2.631 0.003 1.00 0.00 C ATOM 0 H LEU A 30 0.655 1.915 0.545 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.410 -0.382 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.046 -0.134 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.672 -1.531 1.303 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.364 -0.621 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.731 -1.963 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.733 -0.577 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.130 -2.212 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.785 -3.046 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.554 -3.337 0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.892 -2.450 0.842 1.00 0.00 H new ATOM 457 N SER A 31 0.816 0.400 4.083 1.00 0.00 N ATOM 458 CA SER A 31 1.562 0.746 5.287 1.00 0.00 C ATOM 459 C SER A 31 2.012 -0.510 6.027 1.00 0.00 C ATOM 460 O SER A 31 1.620 -1.623 5.678 1.00 0.00 O ATOM 461 CB SER A 31 0.706 1.616 6.211 1.00 0.00 C ATOM 462 OG SER A 31 -0.405 0.891 6.710 1.00 0.00 O ATOM 0 H SER A 31 -0.114 0.019 4.258 1.00 0.00 H new ATOM 0 HA SER A 31 2.447 1.307 4.987 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.313 1.975 7.042 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.357 2.494 5.668 1.00 0.00 H new ATOM 0 HG SER A 31 -0.935 1.468 7.299 1.00 0.00 H new ATOM 468 N ASN A 32 2.837 -0.323 7.051 1.00 0.00 N ATOM 469 CA ASN A 32 3.342 -1.440 7.841 1.00 0.00 C ATOM 470 C ASN A 32 4.035 -2.466 6.950 1.00 0.00 C ATOM 471 O ASN A 32 3.745 -3.661 7.019 1.00 0.00 O ATOM 472 CB ASN A 32 2.199 -2.105 8.611 1.00 0.00 C ATOM 473 CG ASN A 32 2.688 -2.875 9.822 1.00 0.00 C ATOM 474 OD1 ASN A 32 3.152 -2.287 10.799 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.589 -4.198 9.762 1.00 0.00 N ATOM 0 H ASN A 32 3.171 0.592 7.354 1.00 0.00 H new ATOM 0 HA ASN A 32 4.071 -1.051 8.552 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.489 -1.343 8.931 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.662 -2.782 7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.904 -4.769 10.546 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.198 -4.643 8.932 1.00 0.00 H new ATOM 482 N LEU A 33 4.954 -1.992 6.115 1.00 0.00 N ATOM 483 CA LEU A 33 5.690 -2.868 5.211 1.00 0.00 C ATOM 484 C LEU A 33 6.934 -3.432 5.890 1.00 0.00 C ATOM 485 O LEU A 33 7.495 -2.833 6.808 1.00 0.00 O ATOM 486 CB LEU A 33 6.087 -2.109 3.943 1.00 0.00 C ATOM 487 CG LEU A 33 4.947 -1.757 2.986 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.436 -0.818 1.895 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.352 -3.019 2.380 1.00 0.00 C ATOM 0 H LEU A 33 5.207 -1.006 6.046 1.00 0.00 H new ATOM 0 HA LEU A 33 5.038 -3.699 4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.585 -1.185 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.819 -2.707 3.400 1.00 0.00 H new ATOM 0 HG LEU A 33 4.167 -1.247 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.611 -0.579 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.814 0.099 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.234 -1.300 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.542 -2.750 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.124 -3.557 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.963 -3.656 3.175 1.00 0.00 H new ATOM 501 N PRO A 34 7.378 -4.610 5.429 1.00 0.00 N ATOM 502 CA PRO A 34 8.562 -5.279 5.976 1.00 0.00 C ATOM 503 C PRO A 34 9.854 -4.545 5.630 1.00 0.00 C ATOM 504 O PRO A 34 9.830 -3.384 5.222 1.00 0.00 O ATOM 505 CB PRO A 34 8.534 -6.655 5.306 1.00 0.00 C ATOM 506 CG PRO A 34 7.779 -6.444 4.040 1.00 0.00 C ATOM 507 CD PRO A 34 6.759 -5.381 4.336 1.00 0.00 C ATOM 0 HA PRO A 34 8.540 -5.319 7.065 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.542 -7.020 5.110 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.045 -7.394 5.940 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.446 -6.132 3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.298 -7.366 3.715 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.564 -4.757 3.464 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.805 -5.812 4.639 1.00 0.00 H new ATOM 515 N HIS A 35 10.981 -5.230 5.796 1.00 0.00 N ATOM 516 CA HIS A 35 12.283 -4.644 5.500 1.00 0.00 C ATOM 517 C HIS A 35 13.385 -5.695 5.590 1.00 0.00 C ATOM 518 O HIS A 35 14.356 -5.529 6.329 1.00 0.00 O ATOM 519 CB HIS A 35 12.578 -3.494 6.463 1.00 0.00 C ATOM 520 CG HIS A 35 13.423 -2.412 5.863 1.00 0.00 C ATOM 521 ND1 HIS A 35 13.162 -1.850 4.631 1.00 0.00 N ATOM 522 CD2 HIS A 35 14.529 -1.789 6.334 1.00 0.00 C ATOM 523 CE1 HIS A 35 14.072 -0.928 4.370 1.00 0.00 C ATOM 524 NE2 HIS A 35 14.913 -0.871 5.387 1.00 0.00 N ATOM 0 H HIS A 35 11.019 -6.192 6.134 1.00 0.00 H new ATOM 0 HA HIS A 35 12.257 -4.257 4.481 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.636 -3.063 6.800 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.081 -3.890 7.345 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.018 -1.978 7.278 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.120 -0.323 3.476 1.00 0.00 H new ATOM 0 HE2 HIS A 35 15.717 -0.247 5.458 1.00 0.00 H new ATOM 532 N SER A 36 13.229 -6.776 4.834 1.00 0.00 N ATOM 533 CA SER A 36 14.208 -7.856 4.833 1.00 0.00 C ATOM 534 C SER A 36 15.064 -7.812 3.570 1.00 0.00 C ATOM 535 O SER A 36 15.615 -8.826 3.144 1.00 0.00 O ATOM 536 CB SER A 36 13.506 -9.212 4.938 1.00 0.00 C ATOM 537 OG SER A 36 12.950 -9.398 6.229 1.00 0.00 O ATOM 0 H SER A 36 12.433 -6.928 4.214 1.00 0.00 H new ATOM 0 HA SER A 36 14.858 -7.723 5.698 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.719 -9.277 4.186 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.217 -10.011 4.726 1.00 0.00 H new ATOM 0 HG SER A 36 12.505 -10.270 6.271 1.00 0.00 H new ATOM 543 N GLY A 37 15.169 -6.628 2.975 1.00 0.00 N ATOM 544 CA GLY A 37 15.959 -6.471 1.768 1.00 0.00 C ATOM 545 C GLY A 37 15.273 -7.055 0.548 1.00 0.00 C ATOM 546 O GLY A 37 15.913 -7.699 -0.284 1.00 0.00 O ATOM 0 H GLY A 37 14.721 -5.774 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.154 -5.412 1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.926 -6.955 1.904 1.00 0.00 H new ATOM 550 N TYR A 38 13.968 -6.831 0.441 1.00 0.00 N ATOM 551 CA TYR A 38 13.194 -7.343 -0.684 1.00 0.00 C ATOM 552 C TYR A 38 13.186 -6.345 -1.838 1.00 0.00 C ATOM 553 O TYR A 38 13.638 -5.209 -1.695 1.00 0.00 O ATOM 554 CB TYR A 38 11.761 -7.648 -0.248 1.00 0.00 C ATOM 555 CG TYR A 38 11.079 -6.488 0.444 1.00 0.00 C ATOM 556 CD1 TYR A 38 11.216 -6.292 1.813 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.298 -5.589 -0.273 1.00 0.00 C ATOM 558 CE1 TYR A 38 10.594 -5.235 2.448 1.00 0.00 C ATOM 559 CE2 TYR A 38 9.674 -4.528 0.354 1.00 0.00 C ATOM 560 CZ TYR A 38 9.824 -4.356 1.714 1.00 0.00 C ATOM 561 OH TYR A 38 9.204 -3.301 2.344 1.00 0.00 O ATOM 0 H TYR A 38 13.424 -6.298 1.120 1.00 0.00 H new ATOM 0 HA TYR A 38 13.665 -8.264 -1.027 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.177 -7.933 -1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.769 -8.507 0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.819 -6.978 2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.177 -5.722 -1.338 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.710 -5.097 3.513 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.072 -3.837 -0.218 1.00 0.00 H new ATOM 0 HH TYR A 38 9.425 -3.314 3.299 1.00 0.00 H new ATOM 571 N SER A 39 12.665 -6.778 -2.982 1.00 0.00 N ATOM 572 CA SER A 39 12.599 -5.924 -4.163 1.00 0.00 C ATOM 573 C SER A 39 11.194 -5.359 -4.347 1.00 0.00 C ATOM 574 O SER A 39 10.202 -6.028 -4.060 1.00 0.00 O ATOM 575 CB SER A 39 13.012 -6.710 -5.409 1.00 0.00 C ATOM 576 OG SER A 39 13.663 -5.871 -6.348 1.00 0.00 O ATOM 0 H SER A 39 12.283 -7.714 -3.116 1.00 0.00 H new ATOM 0 HA SER A 39 13.290 -5.093 -4.020 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.676 -7.526 -5.124 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.131 -7.160 -5.868 1.00 0.00 H new ATOM 0 HG SER A 39 13.919 -6.397 -7.134 1.00 0.00 H new ATOM 582 N ASP A 40 11.119 -4.123 -4.826 1.00 0.00 N ATOM 583 CA ASP A 40 9.836 -3.465 -5.049 1.00 0.00 C ATOM 584 C ASP A 40 8.804 -4.456 -5.578 1.00 0.00 C ATOM 585 O ASP A 40 7.660 -4.479 -5.121 1.00 0.00 O ATOM 586 CB ASP A 40 9.998 -2.305 -6.031 1.00 0.00 C ATOM 587 CG ASP A 40 10.706 -2.720 -7.306 1.00 0.00 C ATOM 588 OD1 ASP A 40 11.953 -2.794 -7.295 1.00 0.00 O ATOM 589 OD2 ASP A 40 10.014 -2.969 -8.316 1.00 0.00 O ATOM 0 H ASP A 40 11.931 -3.556 -5.068 1.00 0.00 H new ATOM 0 HA ASP A 40 9.483 -3.075 -4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.016 -1.903 -6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.559 -1.503 -5.552 1.00 0.00 H new ATOM 594 N SER A 41 9.214 -5.271 -6.543 1.00 0.00 N ATOM 595 CA SER A 41 8.323 -6.261 -7.138 1.00 0.00 C ATOM 596 C SER A 41 7.505 -6.971 -6.063 1.00 0.00 C ATOM 597 O SER A 41 6.285 -7.090 -6.173 1.00 0.00 O ATOM 598 CB SER A 41 9.126 -7.284 -7.942 1.00 0.00 C ATOM 599 OG SER A 41 8.840 -7.184 -9.327 1.00 0.00 O ATOM 0 H SER A 41 10.158 -5.266 -6.930 1.00 0.00 H new ATOM 0 HA SER A 41 7.638 -5.741 -7.808 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.192 -7.126 -7.775 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.894 -8.290 -7.591 1.00 0.00 H new ATOM 0 HG SER A 41 9.367 -7.848 -9.819 1.00 0.00 H new ATOM 605 N ALA A 42 8.187 -7.441 -5.025 1.00 0.00 N ATOM 606 CA ALA A 42 7.524 -8.138 -3.928 1.00 0.00 C ATOM 607 C ALA A 42 6.333 -7.341 -3.411 1.00 0.00 C ATOM 608 O ALA A 42 5.315 -7.911 -3.017 1.00 0.00 O ATOM 609 CB ALA A 42 8.511 -8.407 -2.801 1.00 0.00 C ATOM 0 H ALA A 42 9.198 -7.353 -4.919 1.00 0.00 H new ATOM 0 HA ALA A 42 7.153 -9.090 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.003 -8.927 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.328 -9.025 -3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.909 -7.462 -2.433 1.00 0.00 H new ATOM 615 N VAL A 43 6.465 -6.018 -3.415 1.00 0.00 N ATOM 616 CA VAL A 43 5.398 -5.142 -2.945 1.00 0.00 C ATOM 617 C VAL A 43 4.328 -4.958 -4.016 1.00 0.00 C ATOM 618 O VAL A 43 3.183 -4.620 -3.714 1.00 0.00 O ATOM 619 CB VAL A 43 5.944 -3.760 -2.538 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.815 -2.746 -2.444 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.699 -3.854 -1.220 1.00 0.00 C ATOM 0 H VAL A 43 7.300 -5.530 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 43 4.956 -5.621 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 43 6.639 -3.422 -3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.220 -1.776 -2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.322 -2.660 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.092 -3.074 -1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.078 -2.869 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.027 -4.213 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.533 -4.547 -1.327 1.00 0.00 H new ATOM 631 N LEU A 44 4.709 -5.182 -5.270 1.00 0.00 N ATOM 632 CA LEU A 44 3.782 -5.041 -6.388 1.00 0.00 C ATOM 633 C LEU A 44 3.100 -6.369 -6.700 1.00 0.00 C ATOM 634 O LEU A 44 2.151 -6.423 -7.482 1.00 0.00 O ATOM 635 CB LEU A 44 4.519 -4.530 -7.626 1.00 0.00 C ATOM 636 CG LEU A 44 5.544 -3.420 -7.387 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.404 -3.211 -8.623 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.846 -2.125 -6.996 1.00 0.00 C ATOM 0 H LEU A 44 5.653 -5.462 -5.537 1.00 0.00 H new ATOM 0 HA LEU A 44 3.017 -4.318 -6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.028 -5.372 -8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.780 -4.167 -8.340 1.00 0.00 H new ATOM 0 HG LEU A 44 6.193 -3.723 -6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.127 -2.418 -8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.933 -4.135 -8.859 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.770 -2.931 -9.464 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.590 -1.346 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.173 -1.819 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.274 -2.282 -6.081 1.00 0.00 H new ATOM 650 N LYS A 45 3.589 -7.439 -6.082 1.00 0.00 N ATOM 651 CA LYS A 45 3.025 -8.767 -6.290 1.00 0.00 C ATOM 652 C LYS A 45 1.603 -8.846 -5.746 1.00 0.00 C ATOM 653 O LYS A 45 0.834 -9.734 -6.116 1.00 0.00 O ATOM 654 CB LYS A 45 3.901 -9.827 -5.616 1.00 0.00 C ATOM 655 CG LYS A 45 4.551 -10.790 -6.594 1.00 0.00 C ATOM 656 CD LYS A 45 5.292 -11.902 -5.871 1.00 0.00 C ATOM 657 CE LYS A 45 4.329 -12.875 -5.208 1.00 0.00 C ATOM 658 NZ LYS A 45 4.824 -14.277 -5.274 1.00 0.00 N ATOM 0 H LYS A 45 4.375 -7.412 -5.433 1.00 0.00 H new ATOM 0 HA LYS A 45 2.995 -8.958 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.679 -9.329 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.293 -10.394 -4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.789 -11.221 -7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.245 -10.246 -7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.924 -12.439 -6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.952 -11.471 -5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.185 -12.590 -4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.356 -12.810 -5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.140 -14.909 -4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.938 -14.559 -6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.741 -14.345 -4.788 1.00 0.00 H new ATOM 672 N LEU A 46 1.258 -7.912 -4.866 1.00 0.00 N ATOM 673 CA LEU A 46 -0.073 -7.876 -4.271 1.00 0.00 C ATOM 674 C LEU A 46 -1.019 -7.017 -5.106 1.00 0.00 C ATOM 675 O LEU A 46 -2.191 -6.859 -4.766 1.00 0.00 O ATOM 676 CB LEU A 46 -0.001 -7.333 -2.843 1.00 0.00 C ATOM 677 CG LEU A 46 1.182 -6.415 -2.534 1.00 0.00 C ATOM 678 CD1 LEU A 46 0.910 -5.599 -1.279 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.460 -7.226 -2.376 1.00 0.00 C ATOM 0 H LEU A 46 1.882 -7.170 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.461 -8.894 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.922 -6.788 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.031 -8.178 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 46 1.312 -5.728 -3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.762 -4.951 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.019 -4.989 -1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.754 -6.271 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.291 -6.556 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.341 -7.937 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.664 -7.767 -3.300 1.00 0.00 H new ATOM 691 N ALA A 47 -0.501 -6.469 -6.200 1.00 0.00 N ATOM 692 CA ALA A 47 -1.301 -5.631 -7.085 1.00 0.00 C ATOM 693 C ALA A 47 -1.219 -6.122 -8.527 1.00 0.00 C ATOM 694 O ALA A 47 -1.915 -5.613 -9.405 1.00 0.00 O ATOM 695 CB ALA A 47 -0.848 -4.182 -6.992 1.00 0.00 C ATOM 0 H ALA A 47 0.468 -6.590 -6.495 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.341 -5.696 -6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.454 -3.568 -7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.964 -3.829 -5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.200 -4.109 -7.284 1.00 0.00 H new ATOM 701 N GLU A 48 -0.364 -7.111 -8.764 1.00 0.00 N ATOM 702 CA GLU A 48 -0.190 -7.668 -10.100 1.00 0.00 C ATOM 703 C GLU A 48 -1.486 -8.304 -10.596 1.00 0.00 C ATOM 704 O GLU A 48 -2.058 -7.900 -11.608 1.00 0.00 O ATOM 705 CB GLU A 48 0.934 -8.706 -10.102 1.00 0.00 C ATOM 706 CG GLU A 48 2.175 -8.255 -10.853 1.00 0.00 C ATOM 707 CD GLU A 48 2.073 -8.492 -12.347 1.00 0.00 C ATOM 708 OE1 GLU A 48 1.815 -9.647 -12.748 1.00 0.00 O ATOM 709 OE2 GLU A 48 2.250 -7.524 -13.115 1.00 0.00 O ATOM 0 H GLU A 48 0.219 -7.543 -8.048 1.00 0.00 H new ATOM 0 HA GLU A 48 0.077 -6.854 -10.774 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.206 -8.937 -9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.564 -9.629 -10.549 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.341 -7.194 -10.668 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.044 -8.786 -10.463 1.00 0.00 H new ATOM 716 N PRO A 49 -1.959 -9.326 -9.867 1.00 0.00 N ATOM 717 CA PRO A 49 -3.192 -10.040 -10.213 1.00 0.00 C ATOM 718 C PRO A 49 -4.437 -9.186 -10.003 1.00 0.00 C ATOM 719 O PRO A 49 -5.559 -9.637 -10.233 1.00 0.00 O ATOM 720 CB PRO A 49 -3.193 -11.232 -9.252 1.00 0.00 C ATOM 721 CG PRO A 49 -2.380 -10.781 -8.088 1.00 0.00 C ATOM 722 CD PRO A 49 -1.329 -9.862 -8.649 1.00 0.00 C ATOM 0 HA PRO A 49 -3.217 -10.322 -11.265 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.206 -11.495 -8.949 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.760 -12.117 -9.718 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.000 -10.264 -7.356 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.924 -11.630 -7.578 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.073 -9.069 -7.947 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.407 -10.397 -8.876 1.00 0.00 H new ATOM 730 N TYR A 50 -4.232 -7.948 -9.565 1.00 0.00 N ATOM 731 CA TYR A 50 -5.338 -7.030 -9.322 1.00 0.00 C ATOM 732 C TYR A 50 -5.531 -6.084 -10.505 1.00 0.00 C ATOM 733 O TYR A 50 -6.657 -5.742 -10.862 1.00 0.00 O ATOM 734 CB TYR A 50 -5.089 -6.225 -8.045 1.00 0.00 C ATOM 735 CG TYR A 50 -5.281 -7.026 -6.778 1.00 0.00 C ATOM 736 CD1 TYR A 50 -4.230 -7.744 -6.220 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.513 -7.063 -6.137 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.402 -8.478 -5.063 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.693 -7.792 -4.977 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.635 -8.498 -4.444 1.00 0.00 C ATOM 741 OH TYR A 50 -5.809 -9.227 -3.290 1.00 0.00 O ATOM 0 H TYR A 50 -3.310 -7.558 -9.371 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.247 -7.620 -9.200 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.073 -5.832 -8.066 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.762 -5.368 -8.029 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.262 -7.728 -6.699 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.344 -6.513 -6.552 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.576 -9.034 -4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.657 -7.809 -4.490 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.964 -9.262 -2.795 1.00 0.00 H new ATOM 751 N GLY A 51 -4.422 -5.666 -11.106 1.00 0.00 N ATOM 752 CA GLY A 51 -4.489 -4.765 -12.242 1.00 0.00 C ATOM 753 C GLY A 51 -3.117 -4.337 -12.724 1.00 0.00 C ATOM 754 O GLY A 51 -2.116 -4.551 -12.041 1.00 0.00 O ATOM 0 H GLY A 51 -3.478 -5.935 -10.827 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.021 -5.253 -13.058 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.066 -3.882 -11.968 1.00 0.00 H new ATOM 758 N LYS A 52 -3.070 -3.731 -13.906 1.00 0.00 N ATOM 759 CA LYS A 52 -1.811 -3.271 -14.481 1.00 0.00 C ATOM 760 C LYS A 52 -1.239 -2.108 -13.678 1.00 0.00 C ATOM 761 O LYS A 52 -1.837 -1.034 -13.611 1.00 0.00 O ATOM 762 CB LYS A 52 -2.017 -2.848 -15.937 1.00 0.00 C ATOM 763 CG LYS A 52 -1.370 -3.787 -16.940 1.00 0.00 C ATOM 764 CD LYS A 52 -0.209 -3.119 -17.660 1.00 0.00 C ATOM 765 CE LYS A 52 -0.079 -3.620 -19.090 1.00 0.00 C ATOM 766 NZ LYS A 52 0.032 -2.498 -20.064 1.00 0.00 N ATOM 0 H LYS A 52 -3.890 -3.547 -14.485 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.101 -4.097 -14.446 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.086 -2.791 -16.142 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.612 -1.846 -16.076 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.015 -4.681 -16.427 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.113 -4.111 -17.668 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.354 -2.039 -17.663 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.717 -3.314 -17.119 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.799 -4.260 -19.172 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.945 -4.233 -19.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.119 -2.881 -21.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.818 -1.901 -20.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.872 -1.927 -19.842 1.00 0.00 H new ATOM 780 N ILE A 53 -0.077 -2.329 -13.071 1.00 0.00 N ATOM 781 CA ILE A 53 0.576 -1.297 -12.275 1.00 0.00 C ATOM 782 C ILE A 53 1.143 -0.194 -13.162 1.00 0.00 C ATOM 783 O ILE A 53 2.272 -0.287 -13.644 1.00 0.00 O ATOM 784 CB ILE A 53 1.713 -1.884 -11.417 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.151 -2.883 -10.403 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.470 -0.771 -10.707 1.00 0.00 C ATOM 787 CD1 ILE A 53 1.720 -4.277 -10.550 1.00 0.00 C ATOM 0 H ILE A 53 0.431 -3.213 -13.115 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.186 -0.876 -11.618 1.00 0.00 H new ATOM 0 HB ILE A 53 2.408 -2.410 -12.072 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.355 -2.520 -9.396 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.067 -2.928 -10.512 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.270 -1.202 -10.105 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.897 -0.093 -11.446 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.786 -0.220 -10.061 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.277 -4.932 -9.799 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.493 -4.660 -11.545 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.801 -4.245 -10.412 1.00 0.00 H new ATOM 799 N LYS A 54 0.351 0.852 -13.375 1.00 0.00 N ATOM 800 CA LYS A 54 0.773 1.976 -14.202 1.00 0.00 C ATOM 801 C LYS A 54 1.895 2.757 -13.527 1.00 0.00 C ATOM 802 O LYS A 54 2.656 3.463 -14.186 1.00 0.00 O ATOM 803 CB LYS A 54 -0.412 2.903 -14.482 1.00 0.00 C ATOM 804 CG LYS A 54 -0.847 2.913 -15.937 1.00 0.00 C ATOM 805 CD LYS A 54 -1.594 1.641 -16.304 1.00 0.00 C ATOM 806 CE LYS A 54 -0.832 0.825 -17.335 1.00 0.00 C ATOM 807 NZ LYS A 54 -1.436 0.942 -18.692 1.00 0.00 N ATOM 0 H LYS A 54 -0.587 0.944 -12.986 1.00 0.00 H new ATOM 0 HA LYS A 54 1.147 1.580 -15.146 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.255 2.598 -13.862 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.147 3.917 -14.184 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.485 3.777 -16.121 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.028 3.021 -16.579 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.753 1.040 -15.409 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.579 1.896 -16.696 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.205 1.160 -17.369 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.819 -0.222 -17.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.888 0.371 -19.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.417 0.599 -18.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.425 1.938 -18.992 1.00 0.00 H new ATOM 821 N ASN A 55 1.992 2.624 -12.208 1.00 0.00 N ATOM 822 CA ASN A 55 3.022 3.318 -11.443 1.00 0.00 C ATOM 823 C ASN A 55 3.046 2.832 -9.997 1.00 0.00 C ATOM 824 O ASN A 55 2.048 2.324 -9.485 1.00 0.00 O ATOM 825 CB ASN A 55 2.786 4.829 -11.483 1.00 0.00 C ATOM 826 CG ASN A 55 3.998 5.591 -11.982 1.00 0.00 C ATOM 827 OD1 ASN A 55 4.135 5.847 -13.178 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.885 5.958 -11.064 1.00 0.00 N ATOM 0 H ASN A 55 1.370 2.042 -11.647 1.00 0.00 H new ATOM 0 HA ASN A 55 3.988 3.097 -11.897 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.934 5.044 -12.128 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.526 5.180 -10.484 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.721 6.474 -11.340 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.730 5.724 -10.083 1.00 0.00 H new ATOM 835 N TYR A 56 4.191 2.994 -9.344 1.00 0.00 N ATOM 836 CA TYR A 56 4.346 2.571 -7.957 1.00 0.00 C ATOM 837 C TYR A 56 5.389 3.423 -7.241 1.00 0.00 C ATOM 838 O TYR A 56 6.222 4.070 -7.877 1.00 0.00 O ATOM 839 CB TYR A 56 4.745 1.095 -7.893 1.00 0.00 C ATOM 840 CG TYR A 56 6.221 0.858 -8.116 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.734 0.691 -9.396 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.105 0.801 -7.045 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.082 0.472 -9.604 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.455 0.585 -7.243 1.00 0.00 C ATOM 845 CZ TYR A 56 8.938 0.420 -8.525 1.00 0.00 C ATOM 846 OH TYR A 56 10.282 0.205 -8.727 1.00 0.00 O ATOM 0 H TYR A 56 5.025 3.415 -9.752 1.00 0.00 H new ATOM 0 HA TYR A 56 3.388 2.703 -7.454 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.464 0.693 -6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.179 0.541 -8.642 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.067 0.733 -10.244 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.730 0.928 -6.040 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.463 0.342 -10.606 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.128 0.546 -6.400 1.00 0.00 H new ATOM 0 HH TYR A 56 10.745 0.197 -7.864 1.00 0.00 H new ATOM 856 N ILE A 57 5.337 3.418 -5.913 1.00 0.00 N ATOM 857 CA ILE A 57 6.278 4.187 -5.109 1.00 0.00 C ATOM 858 C ILE A 57 6.707 3.411 -3.869 1.00 0.00 C ATOM 859 O ILE A 57 5.886 3.097 -3.005 1.00 0.00 O ATOM 860 CB ILE A 57 5.674 5.535 -4.674 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.682 6.524 -5.841 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.442 6.102 -3.488 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.967 7.314 -5.955 1.00 0.00 C ATOM 0 H ILE A 57 4.653 2.890 -5.371 1.00 0.00 H new ATOM 0 HA ILE A 57 7.150 4.373 -5.736 1.00 0.00 H new ATOM 0 HB ILE A 57 4.641 5.371 -4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.517 5.978 -6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.848 7.217 -5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.003 7.055 -3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.389 5.403 -2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.484 6.254 -3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.902 7.995 -6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.124 7.887 -5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.803 6.630 -6.102 1.00 0.00 H new ATOM 875 N LEU A 58 7.996 3.105 -3.785 1.00 0.00 N ATOM 876 CA LEU A 58 8.536 2.366 -2.649 1.00 0.00 C ATOM 877 C LEU A 58 9.320 3.289 -1.721 1.00 0.00 C ATOM 878 O LEU A 58 10.490 3.582 -1.965 1.00 0.00 O ATOM 879 CB LEU A 58 9.437 1.229 -3.136 1.00 0.00 C ATOM 880 CG LEU A 58 9.031 -0.181 -2.705 1.00 0.00 C ATOM 881 CD1 LEU A 58 9.055 -0.303 -1.189 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.652 -0.528 -3.247 1.00 0.00 C ATOM 0 H LEU A 58 8.688 3.357 -4.491 1.00 0.00 H new ATOM 0 HA LEU A 58 7.700 1.945 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.469 1.259 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.450 1.418 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 58 9.751 -0.888 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.763 -1.313 -0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.061 -0.097 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.358 0.414 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.379 -1.535 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.921 0.183 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.667 -0.482 -4.336 1.00 0.00 H new ATOM 894 N MET A 59 8.667 3.743 -0.657 1.00 0.00 N ATOM 895 CA MET A 59 9.303 4.630 0.309 1.00 0.00 C ATOM 896 C MET A 59 9.932 3.834 1.448 1.00 0.00 C ATOM 897 O MET A 59 9.282 2.980 2.052 1.00 0.00 O ATOM 898 CB MET A 59 8.285 5.626 0.868 1.00 0.00 C ATOM 899 CG MET A 59 8.020 6.806 -0.053 1.00 0.00 C ATOM 900 SD MET A 59 6.645 7.829 0.508 1.00 0.00 S ATOM 901 CE MET A 59 5.937 8.333 -1.058 1.00 0.00 C ATOM 0 H MET A 59 7.697 3.511 -0.442 1.00 0.00 H new ATOM 0 HA MET A 59 10.092 5.179 -0.205 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.346 5.106 1.057 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.643 5.998 1.828 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.919 7.418 -0.121 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.808 6.438 -1.057 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.460 9.307 -0.945 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.724 8.400 -1.809 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.195 7.600 -1.375 1.00 0.00 H new ATOM 911 N ARG A 60 11.198 4.117 1.734 1.00 0.00 N ATOM 912 CA ARG A 60 11.913 3.425 2.799 1.00 0.00 C ATOM 913 C ARG A 60 11.804 4.191 4.115 1.00 0.00 C ATOM 914 O ARG A 60 12.102 3.657 5.182 1.00 0.00 O ATOM 915 CB ARG A 60 13.385 3.246 2.422 1.00 0.00 C ATOM 916 CG ARG A 60 14.108 4.555 2.153 1.00 0.00 C ATOM 917 CD ARG A 60 14.634 4.617 0.727 1.00 0.00 C ATOM 918 NE ARG A 60 15.626 5.675 0.555 1.00 0.00 N ATOM 919 CZ ARG A 60 16.902 5.551 0.901 1.00 0.00 C ATOM 920 NH1 ARG A 60 17.340 4.418 1.434 1.00 0.00 N ATOM 921 NH2 ARG A 60 17.744 6.559 0.713 1.00 0.00 N ATOM 0 H ARG A 60 11.750 4.821 1.243 1.00 0.00 H new ATOM 0 HA ARG A 60 11.456 2.444 2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.896 2.717 3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.450 2.616 1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.429 5.390 2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 60 14.936 4.665 2.853 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.078 3.657 0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.803 4.784 0.041 1.00 0.00 H new ATOM 0 HE ARG A 60 15.322 6.559 0.146 1.00 0.00 H new ATOM 0 HH11 ARG A 60 16.696 3.640 1.579 1.00 0.00 H new ATOM 0 HH12 ARG A 60 18.321 4.325 1.699 1.00 0.00 H new ATOM 0 HH21 ARG A 60 17.412 7.431 0.302 1.00 0.00 H new ATOM 0 HH22 ARG A 60 18.724 6.462 0.980 1.00 0.00 H new ATOM 935 N MET A 61 11.376 5.447 4.029 1.00 0.00 N ATOM 936 CA MET A 61 11.227 6.286 5.212 1.00 0.00 C ATOM 937 C MET A 61 10.467 5.547 6.310 1.00 0.00 C ATOM 938 O MET A 61 11.069 4.993 7.229 1.00 0.00 O ATOM 939 CB MET A 61 10.499 7.583 4.855 1.00 0.00 C ATOM 940 CG MET A 61 11.435 8.734 4.522 1.00 0.00 C ATOM 941 SD MET A 61 11.147 10.184 5.554 1.00 0.00 S ATOM 942 CE MET A 61 12.273 9.864 6.910 1.00 0.00 C ATOM 0 H MET A 61 11.127 5.905 3.153 1.00 0.00 H new ATOM 0 HA MET A 61 12.223 6.528 5.584 1.00 0.00 H new ATOM 0 HB2 MET A 61 9.844 7.400 4.003 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.862 7.874 5.690 1.00 0.00 H new ATOM 0 HG2 MET A 61 12.467 8.405 4.644 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.310 9.008 3.474 1.00 0.00 H new ATOM 0 HE1 MET A 61 12.210 10.676 7.635 1.00 0.00 H new ATOM 0 HE2 MET A 61 12.003 8.925 7.393 1.00 0.00 H new ATOM 0 HE3 MET A 61 13.292 9.796 6.529 1.00 0.00 H new ATOM 952 N LYS A 62 9.143 5.545 6.207 1.00 0.00 N ATOM 953 CA LYS A 62 8.301 4.875 7.190 1.00 0.00 C ATOM 954 C LYS A 62 7.752 3.565 6.635 1.00 0.00 C ATOM 955 O LYS A 62 6.610 3.196 6.903 1.00 0.00 O ATOM 956 CB LYS A 62 7.145 5.787 7.608 1.00 0.00 C ATOM 957 CG LYS A 62 7.549 6.868 8.597 1.00 0.00 C ATOM 958 CD LYS A 62 6.518 7.981 8.658 1.00 0.00 C ATOM 959 CE LYS A 62 7.178 9.351 8.700 1.00 0.00 C ATOM 960 NZ LYS A 62 6.228 10.412 9.135 1.00 0.00 N ATOM 0 H LYS A 62 8.630 6.000 5.452 1.00 0.00 H new ATOM 0 HA LYS A 62 8.914 4.651 8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.725 6.258 6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.355 5.179 8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.671 6.429 9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.516 7.282 8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.862 7.919 7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.892 7.850 9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.028 9.324 9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.569 9.596 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.716 11.330 9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.429 10.456 8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.874 10.192 10.088 1.00 0.00 H new ATOM 974 N SER A 63 8.576 2.865 5.860 1.00 0.00 N ATOM 975 CA SER A 63 8.173 1.597 5.265 1.00 0.00 C ATOM 976 C SER A 63 6.811 1.723 4.589 1.00 0.00 C ATOM 977 O SER A 63 5.942 0.867 4.758 1.00 0.00 O ATOM 978 CB SER A 63 8.127 0.501 6.330 1.00 0.00 C ATOM 979 OG SER A 63 9.432 0.069 6.675 1.00 0.00 O ATOM 0 H SER A 63 9.526 3.155 5.630 1.00 0.00 H new ATOM 0 HA SER A 63 8.911 1.328 4.509 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.618 0.874 7.218 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.546 -0.345 5.961 1.00 0.00 H new ATOM 0 HG SER A 63 9.375 -0.631 7.359 1.00 0.00 H new ATOM 985 N GLN A 64 6.632 2.795 3.825 1.00 0.00 N ATOM 986 CA GLN A 64 5.376 3.034 3.125 1.00 0.00 C ATOM 987 C GLN A 64 5.560 2.904 1.617 1.00 0.00 C ATOM 988 O GLN A 64 6.681 2.969 1.111 1.00 0.00 O ATOM 989 CB GLN A 64 4.832 4.422 3.468 1.00 0.00 C ATOM 990 CG GLN A 64 4.088 4.474 4.793 1.00 0.00 C ATOM 991 CD GLN A 64 3.645 5.876 5.159 1.00 0.00 C ATOM 992 OE1 GLN A 64 4.414 6.832 5.045 1.00 0.00 O ATOM 993 NE2 GLN A 64 2.400 6.008 5.601 1.00 0.00 N ATOM 0 H GLN A 64 7.341 3.512 3.675 1.00 0.00 H new ATOM 0 HA GLN A 64 4.659 2.281 3.451 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.660 5.130 3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.162 4.748 2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.215 3.823 4.741 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.731 4.083 5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.797 5.189 5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.046 6.928 5.862 1.00 0.00 H new ATOM 1002 N ALA A 65 4.453 2.724 0.904 1.00 0.00 N ATOM 1003 CA ALA A 65 4.493 2.587 -0.547 1.00 0.00 C ATOM 1004 C ALA A 65 3.123 2.851 -1.161 1.00 0.00 C ATOM 1005 O ALA A 65 2.092 2.596 -0.537 1.00 0.00 O ATOM 1006 CB ALA A 65 4.990 1.201 -0.933 1.00 0.00 C ATOM 0 H ALA A 65 3.518 2.670 1.307 1.00 0.00 H new ATOM 0 HA ALA A 65 5.187 3.331 -0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.015 1.113 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.993 1.050 -0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.319 0.446 -0.523 1.00 0.00 H new ATOM 1012 N PHE A 66 3.118 3.364 -2.387 1.00 0.00 N ATOM 1013 CA PHE A 66 1.873 3.664 -3.085 1.00 0.00 C ATOM 1014 C PHE A 66 1.860 3.029 -4.472 1.00 0.00 C ATOM 1015 O PHE A 66 2.708 3.330 -5.312 1.00 0.00 O ATOM 1016 CB PHE A 66 1.683 5.178 -3.202 1.00 0.00 C ATOM 1017 CG PHE A 66 1.545 5.870 -1.877 1.00 0.00 C ATOM 1018 CD1 PHE A 66 0.304 6.010 -1.278 1.00 0.00 C ATOM 1019 CD2 PHE A 66 2.658 6.383 -1.230 1.00 0.00 C ATOM 1020 CE1 PHE A 66 0.174 6.646 -0.058 1.00 0.00 C ATOM 1021 CE2 PHE A 66 2.534 7.020 -0.009 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.291 7.152 0.577 1.00 0.00 C ATOM 0 H PHE A 66 3.962 3.581 -2.918 1.00 0.00 H new ATOM 0 HA PHE A 66 1.050 3.245 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.532 5.602 -3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.795 5.379 -3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.573 5.617 -1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.633 6.284 -1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.800 6.747 0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.409 7.414 0.486 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.192 7.650 1.530 1.00 0.00 H new ATOM 1032 N ILE A 67 0.892 2.149 -4.703 1.00 0.00 N ATOM 1033 CA ILE A 67 0.768 1.471 -5.988 1.00 0.00 C ATOM 1034 C ILE A 67 -0.477 1.935 -6.736 1.00 0.00 C ATOM 1035 O ILE A 67 -1.602 1.713 -6.285 1.00 0.00 O ATOM 1036 CB ILE A 67 0.710 -0.058 -5.815 1.00 0.00 C ATOM 1037 CG1 ILE A 67 1.926 -0.550 -5.027 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.639 -0.743 -7.172 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.877 -2.027 -4.702 1.00 0.00 C ATOM 0 H ILE A 67 0.182 1.889 -4.018 1.00 0.00 H new ATOM 0 HA ILE A 67 1.654 1.729 -6.568 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.190 -0.311 -5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.829 -0.342 -5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.001 0.016 -4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.599 -1.823 -7.033 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.255 -0.412 -7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.522 -0.485 -7.756 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.770 -2.306 -4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.992 -2.238 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.834 -2.602 -5.627 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.270 2.575 -7.881 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.377 3.069 -8.692 1.00 0.00 C ATOM 1053 C GLU A 68 -1.790 2.035 -9.735 1.00 0.00 C ATOM 1054 O GLU A 68 -1.093 1.825 -10.727 1.00 0.00 O ATOM 1055 CB GLU A 68 -0.988 4.378 -9.382 1.00 0.00 C ATOM 1056 CG GLU A 68 -2.015 4.862 -10.392 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.704 6.247 -10.923 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.517 6.526 -11.195 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -2.647 7.053 -11.069 1.00 0.00 O ATOM 0 H GLU A 68 0.654 2.764 -8.269 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.225 3.253 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.844 5.149 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.031 4.243 -9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.059 4.160 -11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.001 4.868 -9.927 1.00 0.00 H new ATOM 1066 N MET A 69 -2.929 1.390 -9.500 1.00 0.00 N ATOM 1067 CA MET A 69 -3.437 0.378 -10.420 1.00 0.00 C ATOM 1068 C MET A 69 -3.847 1.006 -11.748 1.00 0.00 C ATOM 1069 O MET A 69 -3.938 2.228 -11.864 1.00 0.00 O ATOM 1070 CB MET A 69 -4.628 -0.354 -9.798 1.00 0.00 C ATOM 1071 CG MET A 69 -4.335 -0.936 -8.425 1.00 0.00 C ATOM 1072 SD MET A 69 -2.753 -1.798 -8.359 1.00 0.00 S ATOM 1073 CE MET A 69 -3.045 -3.130 -9.521 1.00 0.00 C ATOM 0 H MET A 69 -3.517 1.550 -8.682 1.00 0.00 H new ATOM 0 HA MET A 69 -2.638 -0.339 -10.610 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.467 0.337 -9.719 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.939 -1.158 -10.465 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.339 -0.134 -7.687 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.132 -1.626 -8.150 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.091 -3.531 -9.862 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.617 -3.919 -9.033 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.605 -2.751 -10.376 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.092 0.163 -12.746 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.491 0.637 -14.065 1.00 0.00 C ATOM 1085 C GLU A 70 -5.885 1.257 -14.021 1.00 0.00 C ATOM 1086 O GLU A 70 -6.171 2.221 -14.733 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.464 -0.513 -15.075 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.784 -0.081 -16.496 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.427 -1.188 -17.310 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -6.479 -1.705 -16.880 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -4.879 -1.537 -18.376 1.00 0.00 O ATOM 0 H GLU A 70 -4.021 -0.851 -12.666 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.781 1.402 -14.378 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.478 -0.977 -15.058 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.180 -1.274 -14.766 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.452 0.780 -16.469 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.867 0.242 -16.989 1.00 0.00 H new ATOM 1098 N THR A 71 -6.750 0.697 -13.181 1.00 0.00 N ATOM 1099 CA THR A 71 -8.113 1.192 -13.046 1.00 0.00 C ATOM 1100 C THR A 71 -8.552 1.202 -11.585 1.00 0.00 C ATOM 1101 O THR A 71 -7.741 0.994 -10.683 1.00 0.00 O ATOM 1102 CB THR A 71 -9.105 0.340 -13.862 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.679 -0.673 -13.030 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.411 -0.306 -15.051 1.00 0.00 C ATOM 0 H THR A 71 -6.530 -0.100 -12.584 1.00 0.00 H new ATOM 0 HA THR A 71 -8.118 2.211 -13.432 1.00 0.00 H new ATOM 0 HB THR A 71 -9.894 0.994 -14.233 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.471 -1.047 -13.469 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.130 -0.902 -15.612 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.000 0.469 -15.697 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.605 -0.949 -14.697 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.839 1.444 -11.361 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.385 1.481 -10.009 1.00 0.00 C ATOM 1114 C ARG A 72 -10.792 0.085 -9.549 1.00 0.00 C ATOM 1115 O ARG A 72 -10.530 -0.304 -8.411 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.591 2.421 -9.949 1.00 0.00 C ATOM 1117 CG ARG A 72 -11.910 2.912 -8.546 1.00 0.00 C ATOM 1118 CD ARG A 72 -12.637 4.247 -8.576 1.00 0.00 C ATOM 1119 NE ARG A 72 -14.065 4.099 -8.308 1.00 0.00 N ATOM 1120 CZ ARG A 72 -14.833 5.081 -7.848 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -14.311 6.276 -7.607 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -16.124 4.869 -7.630 1.00 0.00 N ATOM 0 H ARG A 72 -10.523 1.617 -12.097 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.609 1.853 -9.341 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.403 3.281 -10.592 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.463 1.906 -10.352 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.524 2.173 -8.032 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.987 3.012 -7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.197 4.916 -7.837 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.498 4.714 -9.551 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.497 3.192 -8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.319 6.442 -7.775 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.902 7.029 -7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.529 3.951 -7.815 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.712 5.624 -7.277 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.434 -0.664 -10.440 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.878 -2.016 -10.125 1.00 0.00 C ATOM 1138 C GLU A 73 -10.758 -2.817 -9.466 1.00 0.00 C ATOM 1139 O GLU A 73 -11.006 -3.655 -8.600 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.354 -2.730 -11.391 1.00 0.00 C ATOM 1141 CG GLU A 73 -11.225 -3.338 -12.207 1.00 0.00 C ATOM 1142 CD GLU A 73 -11.526 -3.359 -13.694 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -11.838 -2.286 -14.251 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -11.451 -4.449 -14.299 1.00 0.00 O ATOM 0 H GLU A 73 -11.658 -0.357 -11.386 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.710 -1.943 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.055 -3.517 -11.113 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.901 -2.022 -12.014 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.310 -2.772 -12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.040 -4.356 -11.863 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.525 -2.552 -9.885 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.366 -3.246 -9.336 1.00 0.00 C ATOM 1153 C ASP A 74 -8.012 -2.705 -7.955 1.00 0.00 C ATOM 1154 O ASP A 74 -8.172 -3.394 -6.948 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.168 -3.103 -10.277 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.515 -3.445 -11.713 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.323 -4.374 -11.924 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -6.979 -2.783 -12.625 1.00 0.00 O ATOM 0 H ASP A 74 -9.303 -1.862 -10.603 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.618 -4.302 -9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.793 -2.080 -10.231 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.362 -3.753 -9.936 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.529 -1.467 -7.916 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.152 -0.834 -6.659 1.00 0.00 C ATOM 1165 C ALA A 75 -8.174 -1.132 -5.566 1.00 0.00 C ATOM 1166 O ALA A 75 -7.816 -1.330 -4.406 1.00 0.00 O ATOM 1167 CB ALA A 75 -7.003 0.669 -6.848 1.00 0.00 C ATOM 0 H ALA A 75 -7.390 -0.883 -8.741 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.193 -1.247 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.721 1.129 -5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.231 0.867 -7.592 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.950 1.089 -7.187 1.00 0.00 H new ATOM 1173 N MET A 76 -9.447 -1.161 -5.945 1.00 0.00 N ATOM 1174 CA MET A 76 -10.520 -1.435 -4.998 1.00 0.00 C ATOM 1175 C MET A 76 -10.493 -2.894 -4.552 1.00 0.00 C ATOM 1176 O MET A 76 -10.582 -3.191 -3.361 1.00 0.00 O ATOM 1177 CB MET A 76 -11.878 -1.106 -5.622 1.00 0.00 C ATOM 1178 CG MET A 76 -12.023 0.351 -6.029 1.00 0.00 C ATOM 1179 SD MET A 76 -12.865 1.340 -4.779 1.00 0.00 S ATOM 1180 CE MET A 76 -11.703 2.689 -4.577 1.00 0.00 C ATOM 0 H MET A 76 -9.760 -0.998 -6.902 1.00 0.00 H new ATOM 0 HA MET A 76 -10.368 -0.803 -4.123 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.028 -1.736 -6.499 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.665 -1.356 -4.911 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.035 0.772 -6.215 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.576 0.409 -6.966 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.385 2.743 -3.536 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.834 2.519 -5.213 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.182 3.627 -4.859 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.370 -3.800 -5.516 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.329 -5.228 -5.222 1.00 0.00 C ATOM 1192 C ALA A 77 -9.205 -5.555 -4.243 1.00 0.00 C ATOM 1193 O ALA A 77 -9.303 -6.505 -3.467 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.162 -6.026 -6.505 1.00 0.00 C ATOM 0 H ALA A 77 -10.297 -3.571 -6.507 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.274 -5.505 -4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.133 -7.090 -6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.001 -5.824 -7.171 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.232 -5.737 -6.995 1.00 0.00 H new ATOM 1200 N MET A 78 -8.140 -4.761 -4.287 1.00 0.00 N ATOM 1201 CA MET A 78 -6.998 -4.967 -3.403 1.00 0.00 C ATOM 1202 C MET A 78 -7.336 -4.555 -1.974 1.00 0.00 C ATOM 1203 O MET A 78 -7.188 -5.342 -1.039 1.00 0.00 O ATOM 1204 CB MET A 78 -5.789 -4.174 -3.903 1.00 0.00 C ATOM 1205 CG MET A 78 -4.455 -4.799 -3.530 1.00 0.00 C ATOM 1206 SD MET A 78 -3.048 -3.833 -4.113 1.00 0.00 S ATOM 1207 CE MET A 78 -1.780 -4.354 -2.959 1.00 0.00 C ATOM 0 H MET A 78 -8.044 -3.970 -4.924 1.00 0.00 H new ATOM 0 HA MET A 78 -6.753 -6.029 -3.408 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.848 -4.083 -4.988 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.834 -3.164 -3.496 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.396 -4.901 -2.446 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.399 -5.804 -3.949 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.449 -3.498 -2.371 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.185 -5.117 -2.294 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.934 -4.765 -3.509 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.790 -3.316 -1.811 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.149 -2.800 -0.496 1.00 0.00 C ATOM 1219 C VAL A 79 -9.311 -3.585 0.104 1.00 0.00 C ATOM 1220 O VAL A 79 -9.460 -3.659 1.324 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.532 -1.310 -0.563 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.453 -0.514 -1.283 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -9.880 -1.136 -1.247 1.00 0.00 C ATOM 0 H VAL A 79 -7.918 -2.651 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.270 -2.914 0.139 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.615 -0.928 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.740 0.537 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.509 -0.613 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.336 -0.895 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.135 -0.077 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.828 -1.534 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.645 -1.673 -0.686 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.132 -4.170 -0.762 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.280 -4.951 -0.318 1.00 0.00 C ATOM 1235 C ASP A 80 -10.846 -6.337 0.151 1.00 0.00 C ATOM 1236 O ASP A 80 -11.187 -6.766 1.254 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.304 -5.079 -1.447 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.721 -4.818 -0.975 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -13.892 -4.053 -0.003 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.660 -5.379 -1.578 1.00 0.00 O ATOM 0 H ASP A 80 -10.023 -4.118 -1.775 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.740 -4.430 0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.054 -4.377 -2.242 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.245 -6.080 -1.875 1.00 0.00 H new ATOM 1245 N HIS A 81 -10.094 -7.034 -0.695 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.614 -8.372 -0.368 1.00 0.00 C ATOM 1247 C HIS A 81 -8.930 -8.385 0.996 1.00 0.00 C ATOM 1248 O HIS A 81 -8.822 -9.431 1.637 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.645 -8.866 -1.442 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.661 -10.352 -1.626 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -9.198 -10.967 -2.737 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -8.200 -11.347 -0.832 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -9.069 -12.276 -2.618 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -8.466 -12.534 -1.472 1.00 0.00 N ATOM 0 H HIS A 81 -9.804 -6.694 -1.612 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.474 -9.041 -0.330 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.892 -8.388 -2.390 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.635 -8.552 -1.180 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.714 -11.230 0.125 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -9.401 -13.011 -3.336 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -8.235 -13.463 -1.119 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.470 -7.217 1.432 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.795 -7.096 2.720 1.00 0.00 C ATOM 1264 C CYS A 82 -8.804 -7.080 3.864 1.00 0.00 C ATOM 1265 O CYS A 82 -8.530 -7.584 4.954 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.947 -5.824 2.756 1.00 0.00 C ATOM 1267 SG CYS A 82 -5.985 -5.620 4.273 1.00 0.00 S ATOM 0 H CYS A 82 -8.552 -6.342 0.914 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.145 -7.962 2.845 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.266 -5.830 1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.601 -4.961 2.635 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.554 -6.277 5.240 1.00 0.00 H new ATOM 1273 N LEU A 83 -9.971 -6.499 3.609 1.00 0.00 N ATOM 1274 CA LEU A 83 -11.022 -6.417 4.617 1.00 0.00 C ATOM 1275 C LEU A 83 -11.580 -7.799 4.936 1.00 0.00 C ATOM 1276 O LEU A 83 -11.705 -8.177 6.102 1.00 0.00 O ATOM 1277 CB LEU A 83 -12.146 -5.498 4.137 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.725 -4.097 3.692 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -12.832 -3.438 2.884 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.360 -3.242 4.897 1.00 0.00 C ATOM 0 H LEU A 83 -10.213 -6.078 2.712 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.587 -6.003 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.655 -5.984 3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -12.875 -5.398 4.941 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.844 -4.188 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.514 -2.442 2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.045 -4.040 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.731 -3.359 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.063 -2.248 4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.222 -3.159 5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.533 -3.706 5.435 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.913 -8.553 3.894 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.455 -9.896 4.061 1.00 0.00 C ATOM 1294 C LYS A 84 -11.363 -10.875 4.481 1.00 0.00 C ATOM 1295 O LYS A 84 -11.564 -11.699 5.373 1.00 0.00 O ATOM 1296 CB LYS A 84 -13.106 -10.370 2.759 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.497 -9.803 2.534 1.00 0.00 C ATOM 1298 CD LYS A 84 -14.450 -8.519 1.724 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.991 -8.727 0.317 1.00 0.00 C ATOM 1300 NZ LYS A 84 -16.465 -8.520 0.253 1.00 0.00 N ATOM 0 H LYS A 84 -11.817 -8.256 2.923 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.210 -9.862 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.468 -10.090 1.921 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.163 -11.458 2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.112 -10.539 2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.973 -9.611 3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.032 -7.748 2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.423 -8.159 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.497 -8.037 -0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.751 -9.736 -0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.795 -8.671 -0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.938 -9.195 0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.692 -7.549 0.549 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.205 -10.777 3.835 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.081 -11.652 4.143 1.00 0.00 C ATOM 1316 C LYS A 85 -7.854 -10.839 4.544 1.00 0.00 C ATOM 1317 O LYS A 85 -7.524 -9.839 3.906 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.749 -12.534 2.937 1.00 0.00 C ATOM 1319 CG LYS A 85 -9.935 -13.332 2.424 1.00 0.00 C ATOM 1320 CD LYS A 85 -9.539 -14.759 2.081 1.00 0.00 C ATOM 1321 CE LYS A 85 -10.617 -15.454 1.263 1.00 0.00 C ATOM 1322 NZ LYS A 85 -10.299 -15.447 -0.193 1.00 0.00 N ATOM 0 H LYS A 85 -10.021 -10.100 3.095 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.366 -12.287 4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.368 -11.906 2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.949 -13.222 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.722 -13.343 3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.348 -12.845 1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.603 -14.754 1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.359 -15.319 2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -10.727 -16.483 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.574 -14.959 1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.057 -15.930 -0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.219 -14.465 -0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.398 -15.941 -0.354 1.00 0.00 H new ATOM 1336 N ALA A 86 -7.181 -11.275 5.605 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.990 -10.589 6.088 1.00 0.00 C ATOM 1338 C ALA A 86 -4.834 -10.736 5.103 1.00 0.00 C ATOM 1339 O ALA A 86 -4.294 -11.827 4.922 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.590 -11.126 7.455 1.00 0.00 C ATOM 0 H ALA A 86 -7.441 -12.100 6.145 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.224 -9.528 6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.699 -10.605 7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.404 -10.965 8.162 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.380 -12.193 7.380 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.462 -9.631 4.467 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.372 -9.635 3.499 1.00 0.00 C ATOM 1348 C LEU A 87 -2.020 -9.718 4.201 1.00 0.00 C ATOM 1349 O LEU A 87 -1.631 -8.804 4.928 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.430 -8.380 2.628 1.00 0.00 C ATOM 1351 CG LEU A 87 -2.962 -8.543 1.182 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.815 -7.701 0.246 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.493 -8.167 1.051 1.00 0.00 C ATOM 0 H LEU A 87 -4.900 -8.720 4.605 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.487 -10.514 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.458 -8.017 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.824 -7.607 3.100 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.075 -9.590 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.467 -7.830 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.855 -8.018 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.735 -6.651 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.177 -8.289 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.355 -7.129 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.893 -8.814 1.692 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.310 -10.817 3.979 1.00 0.00 N ATOM 1366 CA TRP A 88 0.000 -11.018 4.590 1.00 0.00 C ATOM 1367 C TRP A 88 1.104 -10.964 3.539 1.00 0.00 C ATOM 1368 O TRP A 88 1.061 -11.686 2.543 1.00 0.00 O ATOM 1369 CB TRP A 88 0.043 -12.359 5.325 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.702 -12.347 6.626 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.977 -12.786 6.844 1.00 0.00 C ATOM 1372 CD2 TRP A 88 -0.218 -11.871 7.885 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -2.314 -12.612 8.164 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -1.252 -12.052 8.825 1.00 0.00 C ATOM 1375 CE3 TRP A 88 0.989 -11.310 8.313 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -1.114 -11.693 10.163 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.124 -10.953 9.641 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.078 -11.147 10.553 1.00 0.00 C ATOM 0 H TRP A 88 -1.618 -11.583 3.381 1.00 0.00 H new ATOM 0 HA TRP A 88 0.167 -10.214 5.307 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.377 -13.132 4.681 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.082 -12.630 5.512 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.625 -13.208 6.090 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -3.210 -12.860 8.584 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.802 -11.158 7.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.919 -11.840 10.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.051 -10.517 9.982 1.00 0.00 H new ATOM 0 HH2 TRP A 88 0.216 -10.860 11.585 1.00 0.00 H new ATOM 1433 N ARG A 92 3.871 -10.375 7.136 1.00 0.00 N ATOM 1434 CA ARG A 92 3.489 -9.142 7.813 1.00 0.00 C ATOM 1435 C ARG A 92 2.077 -8.721 7.418 1.00 0.00 C ATOM 1436 O ARG A 92 1.674 -8.868 6.263 1.00 0.00 O ATOM 1437 CB ARG A 92 4.478 -8.023 7.477 1.00 0.00 C ATOM 1438 CG ARG A 92 5.923 -8.372 7.794 1.00 0.00 C ATOM 1439 CD ARG A 92 6.480 -7.487 8.897 1.00 0.00 C ATOM 1440 NE ARG A 92 5.734 -7.630 10.144 1.00 0.00 N ATOM 1441 CZ ARG A 92 6.098 -7.060 11.287 1.00 0.00 C ATOM 1442 NH1 ARG A 92 7.191 -6.312 11.341 1.00 0.00 N ATOM 1443 NH2 ARG A 92 5.366 -7.237 12.380 1.00 0.00 N ATOM 0 HA ARG A 92 3.509 -9.326 8.887 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.395 -7.783 6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.200 -7.126 8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.988 -9.417 8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.531 -8.262 6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.526 -7.739 9.070 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.452 -6.446 8.575 1.00 0.00 H new ATOM 0 HE ARG A 92 4.887 -8.199 10.137 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.756 -6.173 10.503 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.467 -5.876 12.221 1.00 0.00 H new ATOM 0 HH21 ARG A 92 4.524 -7.811 12.342 1.00 0.00 H new ATOM 0 HH22 ARG A 92 5.646 -6.799 13.258 1.00 0.00 H new ATOM 1457 N CYS A 93 1.329 -8.200 8.384 1.00 0.00 N ATOM 1458 CA CYS A 93 -0.039 -7.759 8.138 1.00 0.00 C ATOM 1459 C CYS A 93 -0.060 -6.366 7.516 1.00 0.00 C ATOM 1460 O CYS A 93 -0.702 -5.453 8.034 1.00 0.00 O ATOM 1461 CB CYS A 93 -0.840 -7.760 9.441 1.00 0.00 C ATOM 1462 SG CYS A 93 -0.201 -6.631 10.700 1.00 0.00 S ATOM 0 H CYS A 93 1.647 -8.073 9.345 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.497 -8.457 7.437 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.874 -7.493 9.220 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.852 -8.771 9.847 1.00 0.00 H new ATOM 0 HG CYS A 93 -0.045 -5.448 10.183 1.00 0.00 H new ATOM 1468 N VAL A 94 0.649 -6.211 6.402 1.00 0.00 N ATOM 1469 CA VAL A 94 0.714 -4.929 5.709 1.00 0.00 C ATOM 1470 C VAL A 94 -0.682 -4.377 5.446 1.00 0.00 C ATOM 1471 O VAL A 94 -1.527 -5.049 4.855 1.00 0.00 O ATOM 1472 CB VAL A 94 1.466 -5.052 4.372 1.00 0.00 C ATOM 1473 CG1 VAL A 94 0.848 -6.142 3.509 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.470 -3.719 3.639 1.00 0.00 C ATOM 0 H VAL A 94 1.186 -6.957 5.960 1.00 0.00 H new ATOM 0 HA VAL A 94 1.256 -4.243 6.360 1.00 0.00 H new ATOM 0 HB VAL A 94 2.499 -5.330 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.393 -6.214 2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.902 -7.096 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.195 -5.898 3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.006 -3.824 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.444 -3.410 3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.963 -2.967 4.255 1.00 0.00 H new ATOM 1484 N LYS A 95 -0.918 -3.146 5.889 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.211 -2.500 5.699 1.00 0.00 C ATOM 1486 C LYS A 95 -2.335 -1.932 4.289 1.00 0.00 C ATOM 1487 O LYS A 95 -1.453 -1.213 3.819 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.402 -1.384 6.730 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.692 -1.501 7.521 1.00 0.00 C ATOM 1490 CD LYS A 95 -4.158 -0.147 8.032 1.00 0.00 C ATOM 1491 CE LYS A 95 -4.910 -0.276 9.349 1.00 0.00 C ATOM 1492 NZ LYS A 95 -6.372 -0.464 9.136 1.00 0.00 N ATOM 0 H LYS A 95 -0.230 -2.576 6.382 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.988 -3.251 5.837 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.560 -1.392 7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.385 -0.422 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.467 -1.940 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.544 -2.177 8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.297 0.508 8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.803 0.322 7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.513 -1.121 9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.742 0.616 9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.849 -0.548 10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.756 0.354 8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.534 -1.329 8.582 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.437 -2.257 3.620 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.676 -1.777 2.264 1.00 0.00 C ATOM 1508 C VAL A 96 -4.995 -1.019 2.176 1.00 0.00 C ATOM 1509 O VAL A 96 -6.070 -1.603 2.312 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.696 -2.938 1.253 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.825 -3.906 1.571 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -3.823 -2.405 -0.167 1.00 0.00 C ATOM 0 H VAL A 96 -4.178 -2.850 3.995 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.855 -1.104 2.016 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.754 -3.480 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.822 -4.719 0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.684 -4.313 2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.779 -3.381 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.836 -3.239 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.749 -1.837 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.976 -1.756 -0.389 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.907 0.286 1.946 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.095 1.127 1.836 1.00 0.00 C ATOM 1524 C ASP A 97 -5.939 2.144 0.711 1.00 0.00 C ATOM 1525 O ASP A 97 -4.858 2.697 0.504 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.358 1.848 3.160 1.00 0.00 C ATOM 1527 CG ASP A 97 -5.131 2.570 3.680 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -4.275 1.911 4.306 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -5.027 3.795 3.460 1.00 0.00 O ATOM 0 H ASP A 97 -4.025 0.786 1.832 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.945 0.485 1.605 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.168 2.565 3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.693 1.125 3.904 1.00 0.00 H new ATOM 1534 N LEU A 98 -7.025 2.386 -0.015 1.00 0.00 N ATOM 1535 CA LEU A 98 -7.010 3.337 -1.122 1.00 0.00 C ATOM 1536 C LEU A 98 -6.853 4.764 -0.610 1.00 0.00 C ATOM 1537 O LEU A 98 -7.637 5.228 0.218 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.295 3.214 -1.942 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.117 2.890 -3.426 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.696 1.521 -3.746 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -8.766 3.961 -4.288 1.00 0.00 C ATOM 0 H LEU A 98 -7.927 1.937 0.143 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.157 3.104 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.915 2.438 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.846 4.151 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.050 2.872 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.560 1.307 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.184 0.762 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.759 1.511 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.629 3.713 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.831 4.013 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.304 4.926 -4.079 1.00 0.00 H new ATOM 1553 N SER A 99 -5.837 5.459 -1.112 1.00 0.00 N ATOM 1554 CA SER A 99 -5.577 6.835 -0.705 1.00 0.00 C ATOM 1555 C SER A 99 -6.453 7.808 -1.487 1.00 0.00 C ATOM 1556 O SER A 99 -6.297 7.965 -2.698 1.00 0.00 O ATOM 1557 CB SER A 99 -4.100 7.180 -0.912 1.00 0.00 C ATOM 1558 OG SER A 99 -3.774 8.414 -0.299 1.00 0.00 O ATOM 0 H SER A 99 -5.181 5.092 -1.801 1.00 0.00 H new ATOM 0 HA SER A 99 -5.819 6.927 0.354 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.477 6.388 -0.497 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.881 7.231 -1.979 1.00 0.00 H new ATOM 0 HG SER A 99 -2.825 8.611 -0.444 1.00 0.00 H new