USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=26 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 69 SER OG : rot -151:sc= -0.0386 USER MOD Set 1.2: A 106 CYS SG : rot 170:sc= -3.68! USER MOD Set 2.1: A 31 MET CE :methyl -179:sc= 0 (180deg=0) USER MOD Set 2.2: A 42 GLN :FLIP amide:sc= -1.04 F(o=-1.9,f=-1) USER MOD Set 3.1: A 26 ASN :FLIP amide:sc= -1.35 F(o=-1.7,f=-0.93) USER MOD Set 3.2: A 46 LYS NZ :NH3+ -159:sc= 0.417 (180deg=-0.0263) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0834 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 39:sc= 0.0512 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.225 F(o=-0.82,f=-0.23) USER MOD Single : A 50 ASN : amide:sc= 0.0249 X(o=0.025,f=-0.0043) 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 60 THR OG1 : rot 180:sc=-0.000639 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 125:sc= 0.0422 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 85:sc= -0.968 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 137:sc= -2.9 USER MOD Single : A 78 LYS NZ :NH3+ 157:sc= -0.371 (180deg=-1.48!) USER MOD Single : A 80 LYS NZ :NH3+ 161:sc= -0.0658 (180deg=-0.632) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 147:sc= -0.18 (180deg=-1.41!) USER MOD Single : A 90 ASN : amide:sc= -0.0792 X(o=-0.079,f=-0.3) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 92 GLN : amide:sc= -0.35 K(o=-0.35,f=-3.2!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -6.59! C(o=-6.6!,f=-14!) USER MOD Single : A 107 SER OG : rot 180:sc= 0.00705 USER MOD Single : A 115 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.41) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -148:sc= -0.281 (180deg=-1.75!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 9.530 -9.196 -15.468 1.00 0.00 N ATOM 375 CA ASP A 24 8.985 -9.288 -16.853 1.00 0.00 C ATOM 376 C ASP A 24 7.950 -10.413 -16.922 1.00 0.00 C ATOM 377 O ASP A 24 7.776 -11.168 -15.987 1.00 0.00 O ATOM 378 CB ASP A 24 10.124 -9.584 -17.829 1.00 0.00 C ATOM 379 CG ASP A 24 11.443 -9.075 -17.246 1.00 0.00 C ATOM 380 OD1 ASP A 24 11.894 -9.645 -16.265 1.00 0.00 O ATOM 381 OD2 ASP A 24 11.981 -8.124 -17.789 1.00 0.00 O ATOM 0 HA ASP A 24 8.512 -8.343 -17.120 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.187 -10.656 -18.016 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.929 -9.104 -18.788 1.00 0.00 H new ATOM 386 N SER A 25 7.260 -10.530 -18.024 1.00 0.00 N ATOM 387 CA SER A 25 6.239 -11.606 -18.151 1.00 0.00 C ATOM 388 C SER A 25 5.193 -11.444 -17.048 1.00 0.00 C ATOM 389 O SER A 25 4.214 -12.162 -16.995 1.00 0.00 O ATOM 390 CB SER A 25 6.917 -12.967 -18.012 1.00 0.00 C ATOM 391 OG SER A 25 6.249 -13.725 -17.012 1.00 0.00 O ATOM 0 H SER A 25 7.360 -9.927 -18.841 1.00 0.00 H new ATOM 0 HA SER A 25 5.755 -11.538 -19.125 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.892 -13.497 -18.964 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.966 -12.838 -17.746 1.00 0.00 H new ATOM 0 HG SER A 25 6.681 -14.600 -16.921 1.00 0.00 H new ATOM 397 N ASN A 26 5.395 -10.506 -16.165 1.00 0.00 N ATOM 398 CA ASN A 26 4.414 -10.297 -15.064 1.00 0.00 C ATOM 399 C ASN A 26 4.353 -8.809 -14.714 1.00 0.00 C ATOM 400 O ASN A 26 3.816 -8.423 -13.696 1.00 0.00 O ATOM 401 CB ASN A 26 4.851 -11.092 -13.832 1.00 0.00 C ATOM 402 CG ASN A 26 6.039 -10.392 -13.168 1.00 0.00 C ATOM 403 OD1 ASN A 26 5.929 -9.975 -11.937 1.00 0.00 O flip ATOM 404 ND2 ASN A 26 7.077 -10.225 -13.776 1.00 0.00 N flip ATOM 0 H ASN A 26 6.197 -9.875 -16.158 1.00 0.00 H new ATOM 0 HA ASN A 26 3.429 -10.637 -15.385 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.024 -11.175 -13.127 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.127 -12.106 -14.120 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.162 -10.551 -14.739 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.863 -9.758 -13.324 1.00 0.00 H new ATOM 411 N VAL A 27 4.903 -7.972 -15.550 1.00 0.00 N ATOM 412 CA VAL A 27 4.876 -6.510 -15.262 1.00 0.00 C ATOM 413 C VAL A 27 4.347 -5.753 -16.481 1.00 0.00 C ATOM 414 O VAL A 27 5.059 -5.529 -17.441 1.00 0.00 O ATOM 415 CB VAL A 27 6.293 -6.029 -14.939 1.00 0.00 C ATOM 416 CG1 VAL A 27 6.228 -4.659 -14.260 1.00 0.00 C ATOM 417 CG2 VAL A 27 6.970 -7.031 -14.002 1.00 0.00 C ATOM 0 H VAL A 27 5.369 -8.236 -16.418 1.00 0.00 H new ATOM 0 HA VAL A 27 4.222 -6.322 -14.410 1.00 0.00 H new ATOM 0 HB VAL A 27 6.867 -5.948 -15.862 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.238 -4.318 -14.031 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.747 -3.944 -14.928 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.653 -4.737 -13.337 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.979 -6.689 -13.772 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.395 -7.112 -13.080 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.019 -8.006 -14.486 1.00 0.00 H new ATOM 427 N GLY A 28 3.106 -5.352 -16.449 1.00 0.00 N ATOM 428 CA GLY A 28 2.535 -4.605 -17.605 1.00 0.00 C ATOM 429 C GLY A 28 2.821 -3.112 -17.433 1.00 0.00 C ATOM 430 O GLY A 28 2.551 -2.535 -16.398 1.00 0.00 O ATOM 0 H GLY A 28 2.463 -5.509 -15.673 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.971 -4.966 -18.537 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.460 -4.776 -17.668 1.00 0.00 H new ATOM 434 N THR A 29 3.368 -2.480 -18.435 1.00 0.00 N ATOM 435 CA THR A 29 3.673 -1.026 -18.321 1.00 0.00 C ATOM 436 C THR A 29 2.634 -0.220 -19.100 1.00 0.00 C ATOM 437 O THR A 29 2.050 -0.695 -20.055 1.00 0.00 O ATOM 438 CB THR A 29 5.065 -0.750 -18.894 1.00 0.00 C ATOM 439 OG1 THR A 29 5.848 -1.934 -18.824 1.00 0.00 O ATOM 440 CG2 THR A 29 5.741 0.359 -18.087 1.00 0.00 C ATOM 0 H THR A 29 3.617 -2.907 -19.327 1.00 0.00 H new ATOM 0 HA THR A 29 3.646 -0.733 -17.271 1.00 0.00 H new ATOM 0 HB THR A 29 4.974 -0.435 -19.934 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.739 -1.759 -19.192 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.732 0.554 -18.496 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.140 1.267 -18.142 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.833 0.047 -17.047 1.00 0.00 H new ATOM 448 N GLY A 30 2.399 1.001 -18.702 1.00 0.00 N ATOM 449 CA GLY A 30 1.399 1.842 -19.419 1.00 0.00 C ATOM 450 C GLY A 30 2.009 3.213 -19.716 1.00 0.00 C ATOM 451 O GLY A 30 2.367 3.950 -18.820 1.00 0.00 O ATOM 0 H GLY A 30 2.857 1.453 -17.910 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.098 1.357 -20.347 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.500 1.955 -18.812 1.00 0.00 H new ATOM 455 N MET A 31 2.132 3.560 -20.968 1.00 0.00 N ATOM 456 CA MET A 31 2.723 4.883 -21.320 1.00 0.00 C ATOM 457 C MET A 31 1.784 5.625 -22.274 1.00 0.00 C ATOM 458 O MET A 31 1.819 5.429 -23.473 1.00 0.00 O ATOM 459 CB MET A 31 4.077 4.670 -21.998 1.00 0.00 C ATOM 460 CG MET A 31 5.117 5.596 -21.364 1.00 0.00 C ATOM 461 SD MET A 31 5.781 4.822 -19.869 1.00 0.00 S ATOM 462 CE MET A 31 7.181 5.945 -19.637 1.00 0.00 C ATOM 0 H MET A 31 1.849 2.985 -21.762 1.00 0.00 H new ATOM 0 HA MET A 31 2.859 5.474 -20.414 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.388 3.631 -21.894 1.00 0.00 H new ATOM 0 HB3 MET A 31 3.997 4.873 -23.066 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.922 5.795 -22.072 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.663 6.556 -21.119 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.753 5.637 -18.762 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.822 5.915 -20.518 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.813 6.960 -19.491 1.00 0.00 H new ATOM 472 N VAL A 32 0.946 6.479 -21.751 1.00 0.00 N ATOM 473 CA VAL A 32 0.006 7.234 -22.627 1.00 0.00 C ATOM 474 C VAL A 32 0.032 8.715 -22.244 1.00 0.00 C ATOM 475 O VAL A 32 0.186 9.067 -21.091 1.00 0.00 O ATOM 476 CB VAL A 32 -1.410 6.685 -22.448 1.00 0.00 C ATOM 477 CG1 VAL A 32 -1.381 5.158 -22.525 1.00 0.00 C ATOM 478 CG2 VAL A 32 -1.953 7.115 -21.084 1.00 0.00 C ATOM 0 H VAL A 32 0.872 6.686 -20.755 1.00 0.00 H new ATOM 0 HA VAL A 32 0.309 7.122 -23.668 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.053 7.076 -23.237 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.391 4.768 -22.397 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.993 4.850 -23.496 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.738 4.766 -21.737 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.962 6.725 -20.955 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.309 6.724 -20.296 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.975 8.203 -21.028 1.00 0.00 H new ATOM 488 N GLY A 33 -0.119 9.589 -23.202 1.00 0.00 N ATOM 489 CA GLY A 33 -0.103 11.047 -22.892 1.00 0.00 C ATOM 490 C GLY A 33 -1.155 11.762 -23.742 1.00 0.00 C ATOM 491 O GLY A 33 -1.826 11.158 -24.554 1.00 0.00 O ATOM 0 H GLY A 33 -0.253 9.356 -24.186 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.306 11.207 -21.833 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.885 11.461 -23.093 1.00 0.00 H new ATOM 495 N ALA A 34 -1.306 13.046 -23.562 1.00 0.00 N ATOM 496 CA ALA A 34 -2.316 13.796 -24.361 1.00 0.00 C ATOM 497 C ALA A 34 -1.674 15.056 -24.945 1.00 0.00 C ATOM 498 O ALA A 34 -1.881 16.151 -24.460 1.00 0.00 O ATOM 499 CB ALA A 34 -3.487 14.191 -23.460 1.00 0.00 C ATOM 0 H ALA A 34 -0.774 13.607 -22.897 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.678 13.165 -25.172 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.226 14.740 -24.044 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.946 13.293 -23.045 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.125 14.822 -22.648 1.00 0.00 H new ATOM 505 N PRO A 35 -0.902 14.895 -25.984 1.00 0.00 N ATOM 506 CA PRO A 35 -0.210 16.031 -26.663 1.00 0.00 C ATOM 507 C PRO A 35 -1.195 17.105 -27.139 1.00 0.00 C ATOM 508 O PRO A 35 -0.804 18.153 -27.611 1.00 0.00 O ATOM 509 CB PRO A 35 0.489 15.382 -27.862 1.00 0.00 C ATOM 510 CG PRO A 35 0.574 13.926 -27.545 1.00 0.00 C ATOM 511 CD PRO A 35 -0.602 13.608 -26.624 1.00 0.00 C ATOM 0 HA PRO A 35 0.477 16.542 -25.988 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.074 15.550 -28.780 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.481 15.808 -28.014 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.525 13.328 -28.455 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.521 13.690 -27.059 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.458 13.230 -27.183 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.340 12.847 -25.889 1.00 0.00 H new ATOM 519 N ALA A 36 -2.469 16.849 -27.019 1.00 0.00 N ATOM 520 CA ALA A 36 -3.475 17.855 -27.465 1.00 0.00 C ATOM 521 C ALA A 36 -3.428 19.072 -26.540 1.00 0.00 C ATOM 522 O ALA A 36 -4.013 20.100 -26.821 1.00 0.00 O ATOM 523 CB ALA A 36 -4.873 17.233 -27.416 1.00 0.00 C ATOM 0 H ALA A 36 -2.857 15.988 -26.632 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.249 18.166 -28.485 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.610 17.967 -27.742 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.909 16.366 -28.076 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.097 16.922 -26.396 1.00 0.00 H new ATOM 529 N CYS A 37 -2.737 18.967 -25.439 1.00 0.00 N ATOM 530 CA CYS A 37 -2.656 20.120 -24.498 1.00 0.00 C ATOM 531 C CYS A 37 -1.344 20.049 -23.715 1.00 0.00 C ATOM 532 O CYS A 37 -0.701 21.050 -23.472 1.00 0.00 O ATOM 533 CB CYS A 37 -3.835 20.064 -23.522 1.00 0.00 C ATOM 534 SG CYS A 37 -5.073 21.294 -24.000 1.00 0.00 S ATOM 0 H CYS A 37 -2.225 18.133 -25.150 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.693 21.052 -25.062 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.277 19.068 -23.525 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.489 20.256 -22.506 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.166 21.335 -25.296 1.00 0.00 H new ATOM 540 N GLY A 38 -0.943 18.873 -23.316 1.00 0.00 N ATOM 541 CA GLY A 38 0.326 18.740 -22.547 1.00 0.00 C ATOM 542 C GLY A 38 0.078 17.887 -21.302 1.00 0.00 C ATOM 543 O GLY A 38 0.100 18.375 -20.189 1.00 0.00 O ATOM 0 H GLY A 38 -1.439 17.999 -23.489 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.095 18.281 -23.169 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.695 19.725 -22.259 1.00 0.00 H new ATOM 547 N ASP A 39 -0.159 16.616 -21.479 1.00 0.00 N ATOM 548 CA ASP A 39 -0.410 15.735 -20.304 1.00 0.00 C ATOM 549 C ASP A 39 0.346 14.416 -20.481 1.00 0.00 C ATOM 550 O ASP A 39 0.498 13.917 -21.577 1.00 0.00 O ATOM 551 CB ASP A 39 -1.909 15.452 -20.193 1.00 0.00 C ATOM 552 CG ASP A 39 -2.262 15.144 -18.736 1.00 0.00 C ATOM 553 OD1 ASP A 39 -2.254 16.064 -17.937 1.00 0.00 O ATOM 554 OD2 ASP A 39 -2.536 13.991 -18.445 1.00 0.00 O ATOM 0 H ASP A 39 -0.190 16.150 -22.386 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.064 16.231 -19.397 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.480 16.312 -20.543 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.179 14.610 -20.830 1.00 0.00 H new ATOM 559 N VAL A 40 0.818 13.847 -19.404 1.00 0.00 N ATOM 560 CA VAL A 40 1.561 12.559 -19.505 1.00 0.00 C ATOM 561 C VAL A 40 1.144 11.645 -18.350 1.00 0.00 C ATOM 562 O VAL A 40 1.354 11.956 -17.195 1.00 0.00 O ATOM 563 CB VAL A 40 3.064 12.827 -19.423 1.00 0.00 C ATOM 564 CG1 VAL A 40 3.828 11.627 -19.984 1.00 0.00 C ATOM 565 CG2 VAL A 40 3.404 14.075 -20.239 1.00 0.00 C ATOM 0 H VAL A 40 0.721 14.219 -18.459 1.00 0.00 H new ATOM 0 HA VAL A 40 1.331 12.079 -20.456 1.00 0.00 H new ATOM 0 HB VAL A 40 3.349 12.984 -18.383 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.900 11.818 -19.926 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.586 10.737 -19.403 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.544 11.469 -21.024 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.475 14.267 -20.181 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.119 13.918 -21.279 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.860 14.931 -19.839 1.00 0.00 H new ATOM 575 N MET A 41 0.551 10.522 -18.651 1.00 0.00 N ATOM 576 CA MET A 41 0.121 9.596 -17.565 1.00 0.00 C ATOM 577 C MET A 41 0.817 8.244 -17.728 1.00 0.00 C ATOM 578 O MET A 41 0.667 7.573 -18.730 1.00 0.00 O ATOM 579 CB MET A 41 -1.395 9.398 -17.635 1.00 0.00 C ATOM 580 CG MET A 41 -1.768 8.088 -16.937 1.00 0.00 C ATOM 581 SD MET A 41 -3.446 8.214 -16.271 1.00 0.00 S ATOM 582 CE MET A 41 -3.289 6.921 -15.016 1.00 0.00 C ATOM 0 H MET A 41 0.346 10.206 -19.599 1.00 0.00 H new ATOM 0 HA MET A 41 0.391 10.025 -16.600 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.905 10.235 -17.158 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.723 9.375 -18.674 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.706 7.258 -17.641 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.062 7.878 -16.134 1.00 0.00 H new ATOM 0 HE1 MET A 41 -4.229 6.826 -14.472 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.051 5.973 -15.498 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.492 7.184 -14.320 1.00 0.00 H new ATOM 592 N GLN A 42 1.571 7.836 -16.744 1.00 0.00 N ATOM 593 CA GLN A 42 2.272 6.524 -16.835 1.00 0.00 C ATOM 594 C GLN A 42 1.684 5.572 -15.790 1.00 0.00 C ATOM 595 O GLN A 42 1.341 5.973 -14.697 1.00 0.00 O ATOM 596 CB GLN A 42 3.765 6.724 -16.568 1.00 0.00 C ATOM 597 CG GLN A 42 4.381 5.405 -16.096 1.00 0.00 C ATOM 598 CD GLN A 42 5.836 5.327 -16.561 1.00 0.00 C ATOM 599 OE1 GLN A 42 6.551 6.418 -16.616 1.00 0.00 O flip ATOM 600 NE2 GLN A 42 6.328 4.263 -16.879 1.00 0.00 N flip ATOM 0 H GLN A 42 1.732 8.355 -15.881 1.00 0.00 H new ATOM 0 HA GLN A 42 2.140 6.102 -17.831 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.264 7.067 -17.474 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.910 7.496 -15.812 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.331 5.336 -15.009 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.815 4.563 -16.495 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.770 3.410 -16.836 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.299 4.222 -17.189 1.00 0.00 H new ATOM 609 N LEU A 43 1.557 4.315 -16.118 1.00 0.00 N ATOM 610 CA LEU A 43 0.983 3.350 -15.138 1.00 0.00 C ATOM 611 C LEU A 43 1.565 1.955 -15.379 1.00 0.00 C ATOM 612 O LEU A 43 1.897 1.592 -16.490 1.00 0.00 O ATOM 613 CB LEU A 43 -0.538 3.303 -15.307 1.00 0.00 C ATOM 614 CG LEU A 43 -1.133 2.288 -14.329 1.00 0.00 C ATOM 615 CD1 LEU A 43 -2.234 2.957 -13.502 1.00 0.00 C ATOM 616 CD2 LEU A 43 -1.730 1.115 -15.111 1.00 0.00 C ATOM 0 H LEU A 43 1.825 3.916 -17.018 1.00 0.00 H new ATOM 0 HA LEU A 43 1.232 3.672 -14.127 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.965 4.290 -15.127 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.792 3.028 -16.331 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.349 1.924 -13.665 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.657 2.233 -12.806 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.813 3.793 -12.944 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.017 3.322 -14.166 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.154 0.392 -14.415 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.513 1.481 -15.775 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.949 0.636 -15.701 1.00 0.00 H new ATOM 628 N GLN A 44 1.686 1.172 -14.343 1.00 0.00 N ATOM 629 CA GLN A 44 2.241 -0.202 -14.501 1.00 0.00 C ATOM 630 C GLN A 44 1.644 -1.113 -13.426 1.00 0.00 C ATOM 631 O GLN A 44 1.746 -0.844 -12.246 1.00 0.00 O ATOM 632 CB GLN A 44 3.763 -0.162 -14.347 1.00 0.00 C ATOM 633 CG GLN A 44 4.134 0.731 -13.162 1.00 0.00 C ATOM 634 CD GLN A 44 5.653 0.886 -13.095 1.00 0.00 C ATOM 635 OE1 GLN A 44 6.173 2.082 -13.041 1.00 0.00 O flip ATOM 636 NE2 GLN A 44 6.376 -0.090 -13.091 1.00 0.00 N flip ATOM 0 H GLN A 44 1.424 1.425 -13.390 1.00 0.00 H new ATOM 0 HA GLN A 44 1.989 -0.586 -15.490 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.150 -1.169 -14.192 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.221 0.218 -15.260 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.663 1.708 -13.268 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.761 0.296 -12.235 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.971 -1.025 -13.133 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.388 0.025 -13.045 1.00 0.00 H new ATOM 645 N ILE A 45 1.017 -2.186 -13.823 1.00 0.00 N ATOM 646 CA ILE A 45 0.410 -3.108 -12.821 1.00 0.00 C ATOM 647 C ILE A 45 1.254 -4.379 -12.714 1.00 0.00 C ATOM 648 O ILE A 45 1.899 -4.788 -13.659 1.00 0.00 O ATOM 649 CB ILE A 45 -1.009 -3.474 -13.260 1.00 0.00 C ATOM 650 CG1 ILE A 45 -1.067 -3.550 -14.788 1.00 0.00 C ATOM 651 CG2 ILE A 45 -1.988 -2.408 -12.767 1.00 0.00 C ATOM 652 CD1 ILE A 45 -2.035 -4.657 -15.209 1.00 0.00 C ATOM 0 H ILE A 45 0.899 -2.464 -14.797 1.00 0.00 H new ATOM 0 HA ILE A 45 0.376 -2.614 -11.850 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.281 -4.441 -12.836 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.392 -2.594 -15.198 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.074 -3.749 -15.191 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.999 -2.670 -13.080 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.948 -2.353 -11.679 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.716 -1.441 -13.190 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.076 -4.710 -16.297 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.691 -5.612 -14.811 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.029 -4.439 -14.819 1.00 0.00 H new ATOM 664 N LYS A 46 1.255 -5.008 -11.571 1.00 0.00 N ATOM 665 CA LYS A 46 2.058 -6.252 -11.408 1.00 0.00 C ATOM 666 C LYS A 46 1.120 -7.447 -11.223 1.00 0.00 C ATOM 667 O LYS A 46 0.034 -7.320 -10.695 1.00 0.00 O ATOM 668 CB LYS A 46 2.963 -6.122 -10.180 1.00 0.00 C ATOM 669 CG LYS A 46 4.058 -7.190 -10.239 1.00 0.00 C ATOM 670 CD LYS A 46 4.568 -7.487 -8.827 1.00 0.00 C ATOM 671 CE LYS A 46 5.302 -8.829 -8.824 1.00 0.00 C ATOM 672 NZ LYS A 46 4.314 -9.934 -8.983 1.00 0.00 N ATOM 0 H LYS A 46 0.735 -4.715 -10.744 1.00 0.00 H new ATOM 0 HA LYS A 46 2.671 -6.404 -12.297 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.410 -5.128 -10.148 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.376 -6.237 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.667 -8.100 -10.693 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.880 -6.847 -10.868 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.237 -6.693 -8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.734 -7.514 -8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.031 -8.859 -9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.855 -8.952 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.728 -10.822 -8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.456 -9.714 -8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.068 -10.038 -9.988 1.00 0.00 H new ATOM 686 N VAL A 47 1.536 -8.608 -11.651 1.00 0.00 N ATOM 687 CA VAL A 47 0.674 -9.814 -11.498 1.00 0.00 C ATOM 688 C VAL A 47 1.461 -10.906 -10.772 1.00 0.00 C ATOM 689 O VAL A 47 2.655 -11.045 -10.951 1.00 0.00 O ATOM 690 CB VAL A 47 0.253 -10.318 -12.880 1.00 0.00 C ATOM 691 CG1 VAL A 47 -0.805 -11.413 -12.726 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.332 -9.157 -13.688 1.00 0.00 C ATOM 0 H VAL A 47 2.437 -8.773 -12.100 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.215 -9.560 -10.921 1.00 0.00 H new ATOM 0 HB VAL A 47 1.122 -10.723 -13.398 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.104 -11.771 -13.711 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.391 -12.240 -12.149 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.674 -11.009 -12.208 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.632 -9.514 -14.673 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.201 -8.753 -13.168 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.420 -8.376 -13.799 1.00 0.00 H new ATOM 702 N ASP A 48 0.807 -11.679 -9.948 1.00 0.00 N ATOM 703 CA ASP A 48 1.528 -12.754 -9.212 1.00 0.00 C ATOM 704 C ASP A 48 1.612 -14.007 -10.084 1.00 0.00 C ATOM 705 O ASP A 48 2.335 -14.053 -11.059 1.00 0.00 O ATOM 706 CB ASP A 48 0.773 -13.081 -7.921 1.00 0.00 C ATOM 707 CG ASP A 48 -0.679 -13.429 -8.252 1.00 0.00 C ATOM 708 OD1 ASP A 48 -1.058 -13.275 -9.402 1.00 0.00 O ATOM 709 OD2 ASP A 48 -1.388 -13.846 -7.351 1.00 0.00 O ATOM 0 H ASP A 48 -0.192 -11.612 -9.754 1.00 0.00 H new ATOM 0 HA ASP A 48 2.535 -12.414 -8.970 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.251 -13.917 -7.410 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.808 -12.230 -7.241 1.00 0.00 H new ATOM 714 N ASP A 49 0.877 -15.024 -9.735 1.00 0.00 N ATOM 715 CA ASP A 49 0.912 -16.281 -10.537 1.00 0.00 C ATOM 716 C ASP A 49 -0.518 -16.744 -10.826 1.00 0.00 C ATOM 717 O ASP A 49 -0.767 -17.465 -11.772 1.00 0.00 O ATOM 718 CB ASP A 49 1.648 -17.367 -9.749 1.00 0.00 C ATOM 719 CG ASP A 49 2.046 -18.505 -10.692 1.00 0.00 C ATOM 720 OD1 ASP A 49 1.532 -18.538 -11.798 1.00 0.00 O ATOM 721 OD2 ASP A 49 2.856 -19.324 -10.292 1.00 0.00 O ATOM 0 H ASP A 49 0.252 -15.041 -8.929 1.00 0.00 H new ATOM 0 HA ASP A 49 1.431 -16.097 -11.478 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.535 -16.948 -9.274 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.010 -17.748 -8.952 1.00 0.00 H new ATOM 726 N ASN A 50 -1.459 -16.338 -10.018 1.00 0.00 N ATOM 727 CA ASN A 50 -2.871 -16.758 -10.249 1.00 0.00 C ATOM 728 C ASN A 50 -3.576 -15.724 -11.128 1.00 0.00 C ATOM 729 O ASN A 50 -4.731 -15.873 -11.475 1.00 0.00 O ATOM 730 CB ASN A 50 -3.597 -16.867 -8.905 1.00 0.00 C ATOM 731 CG ASN A 50 -2.656 -17.479 -7.865 1.00 0.00 C ATOM 732 OD1 ASN A 50 -2.301 -18.637 -7.957 1.00 0.00 O ATOM 733 ND2 ASN A 50 -2.236 -16.744 -6.872 1.00 0.00 N ATOM 0 H ASN A 50 -1.312 -15.735 -9.209 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.884 -17.726 -10.749 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.927 -15.881 -8.577 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.490 -17.483 -9.011 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.609 -17.142 -6.173 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.534 -15.772 -6.795 1.00 0.00 H new ATOM 740 N GLY A 51 -2.890 -14.675 -11.493 1.00 0.00 N ATOM 741 CA GLY A 51 -3.521 -13.632 -12.351 1.00 0.00 C ATOM 742 C GLY A 51 -4.136 -12.543 -11.470 1.00 0.00 C ATOM 743 O GLY A 51 -5.098 -11.903 -11.841 1.00 0.00 O ATOM 0 H GLY A 51 -1.920 -14.495 -11.234 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.777 -13.197 -13.018 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.289 -14.081 -12.981 1.00 0.00 H new ATOM 747 N ILE A 52 -3.586 -12.328 -10.306 1.00 0.00 N ATOM 748 CA ILE A 52 -4.139 -11.278 -9.404 1.00 0.00 C ATOM 749 C ILE A 52 -3.167 -10.098 -9.343 1.00 0.00 C ATOM 750 O ILE A 52 -2.006 -10.222 -9.676 1.00 0.00 O ATOM 751 CB ILE A 52 -4.323 -11.855 -8.000 1.00 0.00 C ATOM 752 CG1 ILE A 52 -5.190 -13.116 -8.073 1.00 0.00 C ATOM 753 CG2 ILE A 52 -5.003 -10.817 -7.104 1.00 0.00 C ATOM 754 CD1 ILE A 52 -6.562 -12.771 -8.659 1.00 0.00 C ATOM 0 H ILE A 52 -2.779 -12.833 -9.941 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.102 -10.941 -9.788 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.348 -12.110 -7.583 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.700 -13.870 -8.690 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.307 -13.546 -7.078 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.134 -11.230 -6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.383 -9.922 -7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.977 -10.559 -7.520 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.174 -13.672 -8.708 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.053 -12.033 -8.025 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.437 -12.362 -9.662 1.00 0.00 H new ATOM 766 N ILE A 53 -3.631 -8.954 -8.917 1.00 0.00 N ATOM 767 CA ILE A 53 -2.729 -7.771 -8.833 1.00 0.00 C ATOM 768 C ILE A 53 -2.280 -7.582 -7.383 1.00 0.00 C ATOM 769 O ILE A 53 -3.037 -7.140 -6.540 1.00 0.00 O ATOM 770 CB ILE A 53 -3.477 -6.523 -9.302 1.00 0.00 C ATOM 771 CG1 ILE A 53 -3.440 -6.450 -10.830 1.00 0.00 C ATOM 772 CG2 ILE A 53 -2.806 -5.277 -8.718 1.00 0.00 C ATOM 773 CD1 ILE A 53 -4.644 -5.650 -11.332 1.00 0.00 C ATOM 0 H ILE A 53 -4.594 -8.788 -8.624 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.858 -7.930 -9.469 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.512 -6.572 -8.964 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.514 -5.979 -11.160 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.455 -7.454 -11.253 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.339 -4.387 -9.052 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.830 -5.327 -7.629 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.771 -5.229 -9.056 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.618 -5.598 -12.420 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.564 -6.140 -11.014 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.608 -4.642 -10.919 1.00 0.00 H new ATOM 785 N GLU A 54 -1.055 -7.920 -7.083 1.00 0.00 N ATOM 786 CA GLU A 54 -0.561 -7.765 -5.685 1.00 0.00 C ATOM 787 C GLU A 54 -0.053 -6.338 -5.470 1.00 0.00 C ATOM 788 O GLU A 54 -0.208 -5.770 -4.407 1.00 0.00 O ATOM 789 CB GLU A 54 0.579 -8.753 -5.437 1.00 0.00 C ATOM 790 CG GLU A 54 0.000 -10.131 -5.110 1.00 0.00 C ATOM 791 CD GLU A 54 -0.420 -10.172 -3.639 1.00 0.00 C ATOM 792 OE1 GLU A 54 -0.893 -9.160 -3.150 1.00 0.00 O ATOM 793 OE2 GLU A 54 -0.263 -11.216 -3.027 1.00 0.00 O ATOM 0 H GLU A 54 -0.376 -8.296 -7.745 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.377 -7.965 -4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.218 -8.815 -6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.203 -8.405 -4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.858 -10.338 -5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.741 -10.905 -5.309 1.00 0.00 H new ATOM 800 N ASP A 55 0.557 -5.754 -6.465 1.00 0.00 N ATOM 801 CA ASP A 55 1.076 -4.366 -6.304 1.00 0.00 C ATOM 802 C ASP A 55 0.728 -3.538 -7.543 1.00 0.00 C ATOM 803 O ASP A 55 0.445 -4.068 -8.599 1.00 0.00 O ATOM 804 CB ASP A 55 2.595 -4.408 -6.126 1.00 0.00 C ATOM 805 CG ASP A 55 2.929 -4.860 -4.703 1.00 0.00 C ATOM 806 OD1 ASP A 55 2.318 -5.812 -4.246 1.00 0.00 O ATOM 807 OD2 ASP A 55 3.789 -4.245 -4.094 1.00 0.00 O ATOM 0 H ASP A 55 0.718 -6.176 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 55 0.619 -3.909 -5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.038 -5.092 -6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.022 -3.423 -6.316 1.00 0.00 H new ATOM 812 N ALA A 56 0.748 -2.238 -7.418 1.00 0.00 N ATOM 813 CA ALA A 56 0.420 -1.370 -8.584 1.00 0.00 C ATOM 814 C ALA A 56 1.141 -0.028 -8.438 1.00 0.00 C ATOM 815 O ALA A 56 0.848 0.753 -7.554 1.00 0.00 O ATOM 816 CB ALA A 56 -1.091 -1.135 -8.632 1.00 0.00 C ATOM 0 H ALA A 56 0.978 -1.740 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 56 0.742 -1.857 -9.504 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.334 -0.500 -9.484 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.605 -2.091 -8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.413 -0.646 -7.712 1.00 0.00 H new ATOM 822 N LYS A 57 2.084 0.246 -9.298 1.00 0.00 N ATOM 823 CA LYS A 57 2.828 1.535 -9.211 1.00 0.00 C ATOM 824 C LYS A 57 2.397 2.451 -10.359 1.00 0.00 C ATOM 825 O LYS A 57 2.090 1.999 -11.445 1.00 0.00 O ATOM 826 CB LYS A 57 4.330 1.261 -9.312 1.00 0.00 C ATOM 827 CG LYS A 57 5.110 2.482 -8.824 1.00 0.00 C ATOM 828 CD LYS A 57 6.295 2.736 -9.758 1.00 0.00 C ATOM 829 CE LYS A 57 7.076 3.958 -9.273 1.00 0.00 C ATOM 830 NZ LYS A 57 8.430 3.959 -9.898 1.00 0.00 N ATOM 0 H LYS A 57 2.372 -0.369 -10.059 1.00 0.00 H new ATOM 0 HA LYS A 57 2.609 2.020 -8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.591 0.388 -8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.600 1.034 -10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.459 3.356 -8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.464 2.318 -7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.946 1.862 -9.783 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.941 2.898 -10.776 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.542 4.872 -9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.165 3.939 -8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.963 4.789 -9.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.938 3.092 -9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.335 3.996 -10.933 1.00 0.00 H new ATOM 844 N PHE A 58 2.373 3.736 -10.131 1.00 0.00 N ATOM 845 CA PHE A 58 1.961 4.679 -11.211 1.00 0.00 C ATOM 846 C PHE A 58 2.849 5.925 -11.169 1.00 0.00 C ATOM 847 O PHE A 58 3.783 6.008 -10.398 1.00 0.00 O ATOM 848 CB PHE A 58 0.500 5.085 -11.005 1.00 0.00 C ATOM 849 CG PHE A 58 0.398 6.014 -9.820 1.00 0.00 C ATOM 850 CD1 PHE A 58 0.771 5.569 -8.545 1.00 0.00 C ATOM 851 CD2 PHE A 58 -0.069 7.323 -9.995 1.00 0.00 C ATOM 852 CE1 PHE A 58 0.676 6.432 -7.447 1.00 0.00 C ATOM 853 CE2 PHE A 58 -0.164 8.186 -8.897 1.00 0.00 C ATOM 854 CZ PHE A 58 0.210 7.740 -7.623 1.00 0.00 C ATOM 0 H PHE A 58 2.621 4.174 -9.244 1.00 0.00 H new ATOM 0 HA PHE A 58 2.069 4.190 -12.179 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.118 5.577 -11.900 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.115 4.200 -10.841 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.132 4.560 -8.409 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.356 7.667 -10.978 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.962 6.089 -6.464 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.525 9.195 -9.032 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.139 8.406 -6.776 1.00 0.00 H new ATOM 864 N LYS A 59 2.562 6.897 -11.994 1.00 0.00 N ATOM 865 CA LYS A 59 3.390 8.137 -12.001 1.00 0.00 C ATOM 866 C LYS A 59 2.718 9.195 -12.877 1.00 0.00 C ATOM 867 O LYS A 59 2.700 9.093 -14.088 1.00 0.00 O ATOM 868 CB LYS A 59 4.779 7.821 -12.560 1.00 0.00 C ATOM 869 CG LYS A 59 5.835 8.603 -11.776 1.00 0.00 C ATOM 870 CD LYS A 59 7.031 8.898 -12.685 1.00 0.00 C ATOM 871 CE LYS A 59 7.987 9.861 -11.977 1.00 0.00 C ATOM 872 NZ LYS A 59 8.589 10.788 -12.977 1.00 0.00 N ATOM 0 H LYS A 59 1.791 6.885 -12.662 1.00 0.00 H new ATOM 0 HA LYS A 59 3.485 8.515 -10.983 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.976 6.751 -12.489 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.826 8.085 -13.617 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.410 9.535 -11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.158 8.029 -10.907 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.549 7.972 -12.933 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.689 9.334 -13.624 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.451 10.428 -11.216 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.771 9.302 -11.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.239 11.443 -12.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.114 10.239 -13.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.835 11.330 -13.446 1.00 0.00 H new ATOM 886 N THR A 60 2.164 10.215 -12.277 1.00 0.00 N ATOM 887 CA THR A 60 1.495 11.278 -13.079 1.00 0.00 C ATOM 888 C THR A 60 2.156 12.627 -12.790 1.00 0.00 C ATOM 889 O THR A 60 1.960 13.214 -11.745 1.00 0.00 O ATOM 890 CB THR A 60 0.013 11.345 -12.701 1.00 0.00 C ATOM 891 OG1 THR A 60 -0.459 12.674 -12.879 1.00 0.00 O ATOM 892 CG2 THR A 60 -0.163 10.931 -11.239 1.00 0.00 C ATOM 0 H THR A 60 2.146 10.357 -11.267 1.00 0.00 H new ATOM 0 HA THR A 60 1.590 11.047 -14.140 1.00 0.00 H new ATOM 0 HB THR A 60 -0.556 10.668 -13.338 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.408 12.719 -12.639 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.219 10.979 -10.972 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.199 9.912 -11.103 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.405 11.606 -10.599 1.00 0.00 H new ATOM 900 N TYR A 61 2.938 13.126 -13.710 1.00 0.00 N ATOM 901 CA TYR A 61 3.608 14.439 -13.485 1.00 0.00 C ATOM 902 C TYR A 61 3.439 15.317 -14.727 1.00 0.00 C ATOM 903 O TYR A 61 3.826 14.948 -15.818 1.00 0.00 O ATOM 904 CB TYR A 61 5.099 14.215 -13.219 1.00 0.00 C ATOM 905 CG TYR A 61 5.627 15.341 -12.362 1.00 0.00 C ATOM 906 CD1 TYR A 61 5.728 16.633 -12.890 1.00 0.00 C ATOM 907 CD2 TYR A 61 6.014 15.093 -11.040 1.00 0.00 C ATOM 908 CE1 TYR A 61 6.216 17.679 -12.096 1.00 0.00 C ATOM 909 CE2 TYR A 61 6.502 16.139 -10.246 1.00 0.00 C ATOM 910 CZ TYR A 61 6.602 17.431 -10.774 1.00 0.00 C ATOM 911 OH TYR A 61 7.081 18.462 -9.991 1.00 0.00 O ATOM 0 H TYR A 61 3.141 12.682 -14.606 1.00 0.00 H new ATOM 0 HA TYR A 61 3.156 14.933 -12.625 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.251 13.259 -12.718 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.646 14.172 -14.161 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.430 16.824 -13.910 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.936 14.096 -10.632 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.294 18.676 -12.504 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.801 15.948 -9.226 1.00 0.00 H new ATOM 0 HH TYR A 61 7.303 18.120 -9.100 1.00 0.00 H new ATOM 921 N GLY A 62 2.864 16.478 -14.569 1.00 0.00 N ATOM 922 CA GLY A 62 2.669 17.382 -15.738 1.00 0.00 C ATOM 923 C GLY A 62 1.510 18.338 -15.454 1.00 0.00 C ATOM 924 O GLY A 62 1.557 19.504 -15.790 1.00 0.00 O ATOM 0 H GLY A 62 2.520 16.840 -13.679 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.581 17.946 -15.931 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.461 16.797 -16.634 1.00 0.00 H new ATOM 928 N CYS A 63 0.470 17.852 -14.835 1.00 0.00 N ATOM 929 CA CYS A 63 -0.693 18.732 -14.525 1.00 0.00 C ATOM 930 C CYS A 63 -0.819 18.889 -13.009 1.00 0.00 C ATOM 931 O CYS A 63 -0.652 17.945 -12.262 1.00 0.00 O ATOM 932 CB CYS A 63 -1.972 18.102 -15.081 1.00 0.00 C ATOM 933 SG CYS A 63 -2.548 19.060 -16.504 1.00 0.00 S ATOM 0 H CYS A 63 0.375 16.883 -14.530 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.543 19.710 -14.982 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.783 17.070 -15.377 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.742 18.077 -14.310 1.00 0.00 H new ATOM 0 HG CYS A 63 -2.680 18.274 -17.531 1.00 0.00 H new ATOM 939 N GLY A 64 -1.113 20.074 -12.548 1.00 0.00 N ATOM 940 CA GLY A 64 -1.249 20.287 -11.079 1.00 0.00 C ATOM 941 C GLY A 64 -2.722 20.180 -10.679 1.00 0.00 C ATOM 942 O GLY A 64 -3.304 21.114 -10.165 1.00 0.00 O ATOM 0 H GLY A 64 -1.265 20.902 -13.124 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.660 19.546 -10.538 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.858 21.267 -10.806 1.00 0.00 H new ATOM 946 N SER A 65 -3.328 19.048 -10.912 1.00 0.00 N ATOM 947 CA SER A 65 -4.763 18.884 -10.546 1.00 0.00 C ATOM 948 C SER A 65 -5.199 17.444 -10.823 1.00 0.00 C ATOM 949 O SER A 65 -5.629 16.734 -9.936 1.00 0.00 O ATOM 950 CB SER A 65 -5.614 19.844 -11.378 1.00 0.00 C ATOM 951 OG SER A 65 -5.071 19.939 -12.688 1.00 0.00 O ATOM 0 H SER A 65 -2.892 18.231 -11.339 1.00 0.00 H new ATOM 0 HA SER A 65 -4.896 19.106 -9.487 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.644 19.489 -11.424 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.636 20.828 -10.909 1.00 0.00 H new ATOM 0 HG SER A 65 -5.615 20.553 -13.224 1.00 0.00 H new ATOM 957 N ALA A 66 -5.095 17.008 -12.049 1.00 0.00 N ATOM 958 CA ALA A 66 -5.506 15.614 -12.381 1.00 0.00 C ATOM 959 C ALA A 66 -4.777 14.633 -11.461 1.00 0.00 C ATOM 960 O ALA A 66 -4.975 13.436 -11.533 1.00 0.00 O ATOM 961 CB ALA A 66 -5.148 15.310 -13.837 1.00 0.00 C ATOM 0 H ALA A 66 -4.744 17.556 -12.834 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.582 15.510 -12.242 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.448 14.291 -14.080 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.668 16.008 -14.493 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.072 15.414 -13.977 1.00 0.00 H new ATOM 967 N ILE A 67 -3.934 15.128 -10.596 1.00 0.00 N ATOM 968 CA ILE A 67 -3.194 14.220 -9.673 1.00 0.00 C ATOM 969 C ILE A 67 -4.184 13.551 -8.717 1.00 0.00 C ATOM 970 O ILE A 67 -3.837 12.649 -7.981 1.00 0.00 O ATOM 971 CB ILE A 67 -2.176 15.028 -8.868 1.00 0.00 C ATOM 972 CG1 ILE A 67 -1.509 16.061 -9.781 1.00 0.00 C ATOM 973 CG2 ILE A 67 -1.111 14.087 -8.299 1.00 0.00 C ATOM 974 CD1 ILE A 67 -0.337 16.713 -9.045 1.00 0.00 C ATOM 0 H ILE A 67 -3.726 16.121 -10.488 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.674 13.457 -10.253 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.683 15.539 -8.050 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.157 15.581 -10.694 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.233 16.820 -10.078 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.385 14.663 -7.725 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.585 13.351 -7.650 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.603 13.576 -9.117 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.137 17.448 -9.695 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.702 17.207 -8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.390 15.949 -8.770 1.00 0.00 H new ATOM 986 N ALA A 68 -5.414 13.985 -8.724 1.00 0.00 N ATOM 987 CA ALA A 68 -6.426 13.373 -7.817 1.00 0.00 C ATOM 988 C ALA A 68 -6.964 12.090 -8.454 1.00 0.00 C ATOM 989 O ALA A 68 -7.011 11.048 -7.830 1.00 0.00 O ATOM 990 CB ALA A 68 -7.575 14.358 -7.596 1.00 0.00 C ATOM 0 H ALA A 68 -5.762 14.737 -9.319 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.964 13.138 -6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.315 13.911 -6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.189 15.272 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.041 14.594 -8.553 1.00 0.00 H new ATOM 996 N SER A 69 -7.367 12.158 -9.694 1.00 0.00 N ATOM 997 CA SER A 69 -7.897 10.942 -10.369 1.00 0.00 C ATOM 998 C SER A 69 -6.871 9.813 -10.257 1.00 0.00 C ATOM 999 O SER A 69 -7.177 8.724 -9.814 1.00 0.00 O ATOM 1000 CB SER A 69 -8.155 11.250 -11.845 1.00 0.00 C ATOM 1001 OG SER A 69 -7.346 10.402 -12.650 1.00 0.00 O ATOM 0 H SER A 69 -7.352 13.002 -10.267 1.00 0.00 H new ATOM 0 HA SER A 69 -8.829 10.638 -9.893 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.208 11.099 -12.081 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.928 12.295 -12.055 1.00 0.00 H new ATOM 0 HG SER A 69 -7.139 10.853 -13.495 1.00 0.00 H new ATOM 1007 N SER A 70 -5.654 10.068 -10.652 1.00 0.00 N ATOM 1008 CA SER A 70 -4.606 9.013 -10.565 1.00 0.00 C ATOM 1009 C SER A 70 -4.722 8.295 -9.219 1.00 0.00 C ATOM 1010 O SER A 70 -4.876 7.092 -9.158 1.00 0.00 O ATOM 1011 CB SER A 70 -3.224 9.654 -10.682 1.00 0.00 C ATOM 1012 OG SER A 70 -3.348 11.065 -10.548 1.00 0.00 O ATOM 0 H SER A 70 -5.340 10.961 -11.031 1.00 0.00 H new ATOM 0 HA SER A 70 -4.742 8.297 -11.375 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.561 9.261 -9.911 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.776 9.406 -11.644 1.00 0.00 H new ATOM 0 HG SER A 70 -3.342 11.305 -9.598 1.00 0.00 H new ATOM 1018 N SER A 71 -4.651 9.027 -8.141 1.00 0.00 N ATOM 1019 CA SER A 71 -4.758 8.387 -6.799 1.00 0.00 C ATOM 1020 C SER A 71 -6.032 7.540 -6.741 1.00 0.00 C ATOM 1021 O SER A 71 -6.093 6.543 -6.051 1.00 0.00 O ATOM 1022 CB SER A 71 -4.817 9.471 -5.722 1.00 0.00 C ATOM 1023 OG SER A 71 -4.279 8.955 -4.511 1.00 0.00 O ATOM 0 H SER A 71 -4.524 10.039 -8.131 1.00 0.00 H new ATOM 0 HA SER A 71 -3.890 7.751 -6.627 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.253 10.348 -6.040 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.847 9.793 -5.569 1.00 0.00 H new ATOM 0 HG SER A 71 -4.313 9.646 -3.817 1.00 0.00 H new ATOM 1029 N LEU A 72 -7.048 7.931 -7.460 1.00 0.00 N ATOM 1030 CA LEU A 72 -8.316 7.146 -7.443 1.00 0.00 C ATOM 1031 C LEU A 72 -8.105 5.816 -8.171 1.00 0.00 C ATOM 1032 O LEU A 72 -8.135 4.758 -7.573 1.00 0.00 O ATOM 1033 CB LEU A 72 -9.419 7.942 -8.144 1.00 0.00 C ATOM 1034 CG LEU A 72 -10.761 7.235 -7.946 1.00 0.00 C ATOM 1035 CD1 LEU A 72 -11.347 7.623 -6.587 1.00 0.00 C ATOM 1036 CD2 LEU A 72 -11.727 7.656 -9.055 1.00 0.00 C ATOM 0 H LEU A 72 -7.056 8.758 -8.057 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.608 6.952 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.465 8.953 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.197 8.033 -9.207 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.612 6.156 -7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.303 7.119 -6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.659 7.325 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.496 8.702 -6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.684 7.153 -8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.876 8.735 -9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.311 7.381 -10.024 1.00 0.00 H new ATOM 1048 N ILE A 73 -7.895 5.861 -9.458 1.00 0.00 N ATOM 1049 CA ILE A 73 -7.686 4.599 -10.224 1.00 0.00 C ATOM 1050 C ILE A 73 -6.647 3.730 -9.511 1.00 0.00 C ATOM 1051 O ILE A 73 -6.785 2.526 -9.428 1.00 0.00 O ATOM 1052 CB ILE A 73 -7.191 4.936 -11.631 1.00 0.00 C ATOM 1053 CG1 ILE A 73 -6.844 3.643 -12.373 1.00 0.00 C ATOM 1054 CG2 ILE A 73 -5.947 5.820 -11.537 1.00 0.00 C ATOM 1055 CD1 ILE A 73 -7.064 3.839 -13.873 1.00 0.00 C ATOM 0 H ILE A 73 -7.859 6.716 -10.012 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.628 4.054 -10.289 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.973 5.467 -12.173 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.807 3.368 -12.180 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.464 2.824 -12.008 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.595 6.060 -12.540 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.194 6.741 -11.009 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.164 5.290 -10.994 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.817 2.918 -14.400 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.108 4.094 -14.057 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.425 4.646 -14.232 1.00 0.00 H new ATOM 1067 N THR A 74 -5.608 4.329 -8.995 1.00 0.00 N ATOM 1068 CA THR A 74 -4.564 3.533 -8.289 1.00 0.00 C ATOM 1069 C THR A 74 -5.205 2.775 -7.123 1.00 0.00 C ATOM 1070 O THR A 74 -4.981 1.596 -6.938 1.00 0.00 O ATOM 1071 CB THR A 74 -3.481 4.471 -7.753 1.00 0.00 C ATOM 1072 OG1 THR A 74 -4.091 5.550 -7.060 1.00 0.00 O ATOM 1073 CG2 THR A 74 -2.651 5.014 -8.918 1.00 0.00 C ATOM 0 H THR A 74 -5.437 5.334 -9.032 1.00 0.00 H new ATOM 0 HA THR A 74 -4.116 2.823 -8.984 1.00 0.00 H new ATOM 0 HB THR A 74 -2.831 3.923 -7.071 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.601 5.725 -6.230 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.880 5.682 -8.535 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.182 4.185 -9.448 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.299 5.562 -9.602 1.00 0.00 H new ATOM 1081 N GLU A 75 -6.002 3.445 -6.336 1.00 0.00 N ATOM 1082 CA GLU A 75 -6.659 2.764 -5.185 1.00 0.00 C ATOM 1083 C GLU A 75 -7.726 1.800 -5.706 1.00 0.00 C ATOM 1084 O GLU A 75 -8.269 1.001 -4.969 1.00 0.00 O ATOM 1085 CB GLU A 75 -7.314 3.813 -4.282 1.00 0.00 C ATOM 1086 CG GLU A 75 -6.882 3.584 -2.832 1.00 0.00 C ATOM 1087 CD GLU A 75 -7.874 4.270 -1.890 1.00 0.00 C ATOM 1088 OE1 GLU A 75 -7.726 5.461 -1.671 1.00 0.00 O ATOM 1089 OE2 GLU A 75 -8.766 3.593 -1.405 1.00 0.00 O ATOM 0 H GLU A 75 -6.226 4.435 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.915 2.207 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.027 4.814 -4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.399 3.751 -4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.840 2.516 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.879 3.981 -2.673 1.00 0.00 H new ATOM 1096 N TRP A 76 -8.033 1.869 -6.973 1.00 0.00 N ATOM 1097 CA TRP A 76 -9.066 0.959 -7.543 1.00 0.00 C ATOM 1098 C TRP A 76 -8.402 -0.327 -8.037 1.00 0.00 C ATOM 1099 O TRP A 76 -8.992 -1.389 -8.016 1.00 0.00 O ATOM 1100 CB TRP A 76 -9.761 1.652 -8.716 1.00 0.00 C ATOM 1101 CG TRP A 76 -11.226 1.360 -8.673 1.00 0.00 C ATOM 1102 CD1 TRP A 76 -11.775 0.189 -8.276 1.00 0.00 C ATOM 1103 CD2 TRP A 76 -12.336 2.231 -9.034 1.00 0.00 C ATOM 1104 NE1 TRP A 76 -13.152 0.287 -8.372 1.00 0.00 N ATOM 1105 CE2 TRP A 76 -13.546 1.526 -8.833 1.00 0.00 C ATOM 1106 CE3 TRP A 76 -12.408 3.551 -9.512 1.00 0.00 C ATOM 1107 CZ2 TRP A 76 -14.785 2.111 -9.097 1.00 0.00 C ATOM 1108 CZ3 TRP A 76 -13.654 4.144 -9.779 1.00 0.00 C ATOM 1109 CH2 TRP A 76 -14.840 3.425 -9.572 1.00 0.00 C ATOM 0 H TRP A 76 -7.612 2.517 -7.638 1.00 0.00 H new ATOM 0 HA TRP A 76 -9.798 0.716 -6.773 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -9.593 2.728 -8.668 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -9.338 1.305 -9.659 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -11.228 -0.680 -7.939 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -13.797 -0.465 -8.131 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -11.500 4.113 -9.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -15.695 1.553 -8.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -13.698 5.159 -10.146 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -15.795 3.886 -9.779 1.00 0.00 H new ATOM 1120 N VAL A 77 -7.180 -0.241 -8.487 1.00 0.00 N ATOM 1121 CA VAL A 77 -6.482 -1.458 -8.986 1.00 0.00 C ATOM 1122 C VAL A 77 -5.497 -1.953 -7.926 1.00 0.00 C ATOM 1123 O VAL A 77 -4.300 -1.955 -8.129 1.00 0.00 O ATOM 1124 CB VAL A 77 -5.725 -1.119 -10.271 1.00 0.00 C ATOM 1125 CG1 VAL A 77 -6.714 -1.015 -11.434 1.00 0.00 C ATOM 1126 CG2 VAL A 77 -5.002 0.220 -10.096 1.00 0.00 C ATOM 0 H VAL A 77 -6.635 0.620 -8.530 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.214 -2.239 -9.191 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.997 -1.902 -10.482 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.175 -0.773 -12.350 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.231 -1.966 -11.558 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.442 -0.231 -11.224 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.462 0.464 -11.011 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.731 1.002 -9.886 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.298 0.148 -9.267 1.00 0.00 H new ATOM 1136 N LYS A 78 -5.992 -2.372 -6.795 1.00 0.00 N ATOM 1137 CA LYS A 78 -5.086 -2.867 -5.720 1.00 0.00 C ATOM 1138 C LYS A 78 -5.636 -4.178 -5.153 1.00 0.00 C ATOM 1139 O LYS A 78 -6.544 -4.184 -4.347 1.00 0.00 O ATOM 1140 CB LYS A 78 -5.003 -1.822 -4.604 1.00 0.00 C ATOM 1141 CG LYS A 78 -3.596 -1.827 -4.002 1.00 0.00 C ATOM 1142 CD LYS A 78 -3.420 -0.598 -3.107 1.00 0.00 C ATOM 1143 CE LYS A 78 -1.960 -0.494 -2.662 1.00 0.00 C ATOM 1144 NZ LYS A 78 -1.067 -0.842 -3.804 1.00 0.00 N ATOM 0 H LYS A 78 -6.986 -2.393 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.092 -3.039 -6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.237 -0.833 -4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.741 -2.040 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.440 -2.737 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.849 -1.822 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.711 0.303 -3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.072 -0.673 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.746 0.516 -2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.775 -1.166 -1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.130 -0.416 -3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.971 -1.876 -3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.476 -0.478 -4.688 1.00 0.00 H new ATOM 1158 N GLY A 79 -5.093 -5.292 -5.568 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.586 -6.599 -5.050 1.00 0.00 C ATOM 1160 C GLY A 79 -6.684 -7.136 -5.970 1.00 0.00 C ATOM 1161 O GLY A 79 -7.118 -8.265 -5.844 1.00 0.00 O ATOM 0 H GLY A 79 -4.330 -5.352 -6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.764 -7.312 -4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.973 -6.478 -4.038 1.00 0.00 H new ATOM 1165 N LYS A 80 -7.139 -6.337 -6.897 1.00 0.00 N ATOM 1166 CA LYS A 80 -8.210 -6.804 -7.821 1.00 0.00 C ATOM 1167 C LYS A 80 -7.588 -7.639 -8.943 1.00 0.00 C ATOM 1168 O LYS A 80 -6.421 -7.972 -8.907 1.00 0.00 O ATOM 1169 CB LYS A 80 -8.928 -5.594 -8.424 1.00 0.00 C ATOM 1170 CG LYS A 80 -9.445 -4.696 -7.299 1.00 0.00 C ATOM 1171 CD LYS A 80 -10.776 -5.244 -6.780 1.00 0.00 C ATOM 1172 CE LYS A 80 -11.194 -4.470 -5.527 1.00 0.00 C ATOM 1173 NZ LYS A 80 -11.034 -3.009 -5.768 1.00 0.00 N ATOM 0 H LYS A 80 -6.815 -5.382 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.926 -7.413 -7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.246 -5.036 -9.066 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.757 -5.924 -9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.717 -4.653 -6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.576 -3.677 -7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.543 -5.153 -7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.679 -6.305 -6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.230 -4.696 -5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.585 -4.778 -4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.600 -2.479 -5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.032 -2.748 -5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.358 -2.778 -6.729 1.00 0.00 H new ATOM 1187 N SER A 81 -8.361 -7.981 -9.938 1.00 0.00 N ATOM 1188 CA SER A 81 -7.814 -8.795 -11.059 1.00 0.00 C ATOM 1189 C SER A 81 -8.025 -8.054 -12.379 1.00 0.00 C ATOM 1190 O SER A 81 -8.541 -6.953 -12.409 1.00 0.00 O ATOM 1191 CB SER A 81 -8.537 -10.142 -11.112 1.00 0.00 C ATOM 1192 OG SER A 81 -8.928 -10.516 -9.798 1.00 0.00 O ATOM 0 H SER A 81 -9.346 -7.732 -10.022 1.00 0.00 H new ATOM 0 HA SER A 81 -6.748 -8.959 -10.900 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.412 -10.073 -11.759 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.883 -10.902 -11.540 1.00 0.00 H new ATOM 0 HG SER A 81 -9.393 -11.378 -9.828 1.00 0.00 H new ATOM 1198 N LEU A 82 -7.632 -8.647 -13.472 1.00 0.00 N ATOM 1199 CA LEU A 82 -7.813 -7.976 -14.790 1.00 0.00 C ATOM 1200 C LEU A 82 -9.306 -7.875 -15.108 1.00 0.00 C ATOM 1201 O LEU A 82 -9.709 -7.203 -16.037 1.00 0.00 O ATOM 1202 CB LEU A 82 -7.110 -8.788 -15.878 1.00 0.00 C ATOM 1203 CG LEU A 82 -5.611 -8.485 -15.853 1.00 0.00 C ATOM 1204 CD1 LEU A 82 -4.830 -9.725 -16.293 1.00 0.00 C ATOM 1205 CD2 LEU A 82 -5.310 -7.328 -16.810 1.00 0.00 C ATOM 0 H LEU A 82 -7.193 -9.567 -13.510 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.382 -6.976 -14.752 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.279 -9.853 -15.718 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.525 -8.542 -16.855 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.314 -8.209 -14.841 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.762 -9.508 -16.275 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.044 -10.550 -15.614 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.127 -10.002 -17.305 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.242 -7.111 -16.793 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.608 -7.605 -17.821 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.865 -6.444 -16.498 1.00 0.00 H new ATOM 1217 N GLU A 83 -10.131 -8.537 -14.343 1.00 0.00 N ATOM 1218 CA GLU A 83 -11.597 -8.475 -14.602 1.00 0.00 C ATOM 1219 C GLU A 83 -12.115 -7.086 -14.225 1.00 0.00 C ATOM 1220 O GLU A 83 -13.014 -6.556 -14.848 1.00 0.00 O ATOM 1221 CB GLU A 83 -12.311 -9.532 -13.757 1.00 0.00 C ATOM 1222 CG GLU A 83 -13.800 -9.549 -14.109 1.00 0.00 C ATOM 1223 CD GLU A 83 -14.545 -8.544 -13.229 1.00 0.00 C ATOM 1224 OE1 GLU A 83 -14.110 -8.329 -12.109 1.00 0.00 O ATOM 1225 OE2 GLU A 83 -15.537 -8.005 -13.690 1.00 0.00 O ATOM 0 H GLU A 83 -9.853 -9.117 -13.551 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.791 -8.666 -15.658 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.873 -10.514 -13.938 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.180 -9.315 -12.697 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.938 -9.300 -15.161 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.208 -10.549 -13.962 1.00 0.00 H new ATOM 1232 N GLU A 84 -11.552 -6.492 -13.209 1.00 0.00 N ATOM 1233 CA GLU A 84 -12.006 -5.136 -12.791 1.00 0.00 C ATOM 1234 C GLU A 84 -11.175 -4.076 -13.516 1.00 0.00 C ATOM 1235 O GLU A 84 -11.674 -3.038 -13.902 1.00 0.00 O ATOM 1236 CB GLU A 84 -11.824 -4.983 -11.279 1.00 0.00 C ATOM 1237 CG GLU A 84 -12.447 -3.663 -10.820 1.00 0.00 C ATOM 1238 CD GLU A 84 -11.350 -2.607 -10.664 1.00 0.00 C ATOM 1239 OE1 GLU A 84 -10.784 -2.525 -9.587 1.00 0.00 O ATOM 1240 OE2 GLU A 84 -11.096 -1.900 -11.626 1.00 0.00 O ATOM 0 H GLU A 84 -10.796 -6.888 -12.650 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.058 -5.008 -13.045 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.293 -5.819 -10.759 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.764 -5.004 -11.026 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.189 -3.328 -11.545 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.968 -3.804 -9.873 1.00 0.00 H new ATOM 1247 N ALA A 85 -9.909 -4.333 -13.706 1.00 0.00 N ATOM 1248 CA ALA A 85 -9.045 -3.343 -14.408 1.00 0.00 C ATOM 1249 C ALA A 85 -9.397 -3.331 -15.896 1.00 0.00 C ATOM 1250 O ALA A 85 -9.262 -2.328 -16.568 1.00 0.00 O ATOM 1251 CB ALA A 85 -7.576 -3.732 -14.232 1.00 0.00 C ATOM 0 H ALA A 85 -9.437 -5.186 -13.405 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.208 -2.351 -13.987 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.944 -3.008 -14.746 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.327 -3.743 -13.171 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.409 -4.723 -14.654 1.00 0.00 H new ATOM 1257 N GLY A 86 -9.847 -4.440 -16.417 1.00 0.00 N ATOM 1258 CA GLY A 86 -10.208 -4.493 -17.861 1.00 0.00 C ATOM 1259 C GLY A 86 -11.718 -4.304 -18.018 1.00 0.00 C ATOM 1260 O GLY A 86 -12.377 -5.048 -18.716 1.00 0.00 O ATOM 0 H GLY A 86 -9.980 -5.312 -15.904 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.675 -3.716 -18.409 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.904 -5.449 -18.288 1.00 0.00 H new ATOM 1264 N ALA A 87 -12.270 -3.312 -17.375 1.00 0.00 N ATOM 1265 CA ALA A 87 -13.736 -3.074 -17.487 1.00 0.00 C ATOM 1266 C ALA A 87 -14.042 -1.640 -17.058 1.00 0.00 C ATOM 1267 O ALA A 87 -14.823 -0.947 -17.680 1.00 0.00 O ATOM 1268 CB ALA A 87 -14.484 -4.051 -16.578 1.00 0.00 C ATOM 0 H ALA A 87 -11.768 -2.656 -16.777 1.00 0.00 H new ATOM 0 HA ALA A 87 -14.056 -3.226 -18.518 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -15.557 -3.876 -16.660 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.259 -5.074 -16.880 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -14.170 -3.900 -15.545 1.00 0.00 H new ATOM 1274 N ILE A 88 -13.429 -1.190 -16.000 1.00 0.00 N ATOM 1275 CA ILE A 88 -13.676 0.199 -15.528 1.00 0.00 C ATOM 1276 C ILE A 88 -13.748 1.138 -16.735 1.00 0.00 C ATOM 1277 O ILE A 88 -13.150 0.887 -17.763 1.00 0.00 O ATOM 1278 CB ILE A 88 -12.531 0.629 -14.611 1.00 0.00 C ATOM 1279 CG1 ILE A 88 -11.204 0.121 -15.180 1.00 0.00 C ATOM 1280 CG2 ILE A 88 -12.744 0.037 -13.217 1.00 0.00 C ATOM 1281 CD1 ILE A 88 -10.071 0.442 -14.202 1.00 0.00 C ATOM 0 H ILE A 88 -12.766 -1.726 -15.441 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.617 0.241 -14.980 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.508 1.717 -14.546 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.257 -0.954 -15.350 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.008 0.587 -16.145 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -11.928 0.343 -12.563 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.689 0.396 -12.810 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.767 -1.051 -13.283 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.126 0.080 -14.608 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.013 1.520 -14.054 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.266 -0.045 -13.247 1.00 0.00 H new ATOM 1293 N LYS A 89 -14.475 2.215 -16.621 1.00 0.00 N ATOM 1294 CA LYS A 89 -14.583 3.163 -17.767 1.00 0.00 C ATOM 1295 C LYS A 89 -14.287 4.586 -17.288 1.00 0.00 C ATOM 1296 O LYS A 89 -14.133 4.836 -16.109 1.00 0.00 O ATOM 1297 CB LYS A 89 -15.999 3.105 -18.344 1.00 0.00 C ATOM 1298 CG LYS A 89 -16.168 1.820 -19.157 1.00 0.00 C ATOM 1299 CD LYS A 89 -17.616 1.709 -19.641 1.00 0.00 C ATOM 1300 CE LYS A 89 -18.036 0.238 -19.665 1.00 0.00 C ATOM 1301 NZ LYS A 89 -17.920 -0.336 -18.294 1.00 0.00 N ATOM 0 H LYS A 89 -14.998 2.480 -15.786 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.863 2.883 -18.536 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.733 3.137 -17.539 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.181 3.974 -18.976 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.488 1.824 -20.009 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.910 0.954 -18.547 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.275 2.275 -18.983 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.712 2.142 -20.637 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.062 0.148 -20.023 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.406 -0.319 -20.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.660 -1.054 -18.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.985 -0.776 -18.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.035 0.421 -17.590 1.00 0.00 H new ATOM 1315 N ASN A 90 -14.210 5.522 -18.196 1.00 0.00 N ATOM 1316 CA ASN A 90 -13.928 6.929 -17.795 1.00 0.00 C ATOM 1317 C ASN A 90 -15.242 7.630 -17.447 1.00 0.00 C ATOM 1318 O ASN A 90 -15.254 8.741 -16.958 1.00 0.00 O ATOM 1319 CB ASN A 90 -13.252 7.665 -18.952 1.00 0.00 C ATOM 1320 CG ASN A 90 -14.282 7.944 -20.049 1.00 0.00 C ATOM 1321 OD1 ASN A 90 -14.566 7.089 -20.863 1.00 0.00 O ATOM 1322 ND2 ASN A 90 -14.858 9.114 -20.105 1.00 0.00 N ATOM 0 H ASN A 90 -14.330 5.372 -19.198 1.00 0.00 H new ATOM 0 HA ASN A 90 -13.269 6.934 -16.927 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -12.819 8.601 -18.598 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -12.434 7.065 -19.350 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -15.546 9.309 -20.832 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -14.620 9.833 -19.422 1.00 0.00 H new ATOM 1329 N SER A 91 -16.350 6.987 -17.697 1.00 0.00 N ATOM 1330 CA SER A 91 -17.663 7.615 -17.381 1.00 0.00 C ATOM 1331 C SER A 91 -17.883 7.598 -15.868 1.00 0.00 C ATOM 1332 O SER A 91 -18.252 8.590 -15.273 1.00 0.00 O ATOM 1333 CB SER A 91 -18.781 6.830 -18.068 1.00 0.00 C ATOM 1334 OG SER A 91 -18.255 6.159 -19.205 1.00 0.00 O ATOM 0 H SER A 91 -16.402 6.054 -18.106 1.00 0.00 H new ATOM 0 HA SER A 91 -17.670 8.645 -17.738 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.214 6.109 -17.374 1.00 0.00 H new ATOM 0 HB3 SER A 91 -19.583 7.505 -18.368 1.00 0.00 H new ATOM 0 HG SER A 91 -18.969 5.654 -19.646 1.00 0.00 H new ATOM 1340 N GLN A 92 -17.655 6.476 -15.241 1.00 0.00 N ATOM 1341 CA GLN A 92 -17.849 6.394 -13.767 1.00 0.00 C ATOM 1342 C GLN A 92 -16.882 7.354 -13.073 1.00 0.00 C ATOM 1343 O GLN A 92 -17.287 8.261 -12.373 1.00 0.00 O ATOM 1344 CB GLN A 92 -17.575 4.965 -13.296 1.00 0.00 C ATOM 1345 CG GLN A 92 -18.620 4.559 -12.256 1.00 0.00 C ATOM 1346 CD GLN A 92 -19.914 4.150 -12.963 1.00 0.00 C ATOM 1347 OE1 GLN A 92 -20.496 4.931 -13.688 1.00 0.00 O ATOM 1348 NE2 GLN A 92 -20.390 2.948 -12.781 1.00 0.00 N ATOM 0 H GLN A 92 -17.343 5.613 -15.687 1.00 0.00 H new ATOM 0 HA GLN A 92 -18.874 6.668 -13.519 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -17.605 4.280 -14.143 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -16.575 4.898 -12.867 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -18.246 3.732 -11.653 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -18.812 5.388 -11.575 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -19.901 2.292 -12.172 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -21.251 2.664 -13.248 1.00 0.00 H new ATOM 1357 N ILE A 93 -15.605 7.164 -13.264 1.00 0.00 N ATOM 1358 CA ILE A 93 -14.612 8.067 -12.618 1.00 0.00 C ATOM 1359 C ILE A 93 -14.952 9.519 -12.960 1.00 0.00 C ATOM 1360 O ILE A 93 -14.826 10.408 -12.141 1.00 0.00 O ATOM 1361 CB ILE A 93 -13.210 7.738 -13.135 1.00 0.00 C ATOM 1362 CG1 ILE A 93 -12.802 6.347 -12.644 1.00 0.00 C ATOM 1363 CG2 ILE A 93 -12.214 8.774 -12.612 1.00 0.00 C ATOM 1364 CD1 ILE A 93 -11.635 5.829 -13.487 1.00 0.00 C ATOM 0 H ILE A 93 -15.207 6.422 -13.840 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.642 7.928 -11.537 1.00 0.00 H new ATOM 0 HB ILE A 93 -13.212 7.756 -14.225 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -12.514 6.391 -11.594 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.647 5.663 -12.715 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -11.216 8.538 -12.981 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -12.504 9.766 -12.959 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -12.211 8.758 -11.522 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -11.345 4.838 -13.137 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -11.939 5.770 -14.532 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -10.788 6.509 -13.393 1.00 0.00 H new ATOM 1376 N ALA A 94 -15.383 9.766 -14.167 1.00 0.00 N ATOM 1377 CA ALA A 94 -15.730 11.158 -14.567 1.00 0.00 C ATOM 1378 C ALA A 94 -16.892 11.661 -13.709 1.00 0.00 C ATOM 1379 O ALA A 94 -16.975 12.829 -13.384 1.00 0.00 O ATOM 1380 CB ALA A 94 -16.137 11.178 -16.041 1.00 0.00 C ATOM 0 H ALA A 94 -15.510 9.062 -14.894 1.00 0.00 H new ATOM 0 HA ALA A 94 -14.865 11.805 -14.420 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -16.391 12.197 -16.334 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -15.308 10.820 -16.652 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -17.002 10.531 -16.188 1.00 0.00 H new ATOM 1386 N GLU A 95 -17.792 10.791 -13.338 1.00 0.00 N ATOM 1387 CA GLU A 95 -18.945 11.225 -12.500 1.00 0.00 C ATOM 1388 C GLU A 95 -18.534 11.224 -11.027 1.00 0.00 C ATOM 1389 O GLU A 95 -19.124 11.898 -10.207 1.00 0.00 O ATOM 1390 CB GLU A 95 -20.116 10.261 -12.705 1.00 0.00 C ATOM 1391 CG GLU A 95 -21.215 10.957 -13.510 1.00 0.00 C ATOM 1392 CD GLU A 95 -21.710 12.185 -12.744 1.00 0.00 C ATOM 1393 OE1 GLU A 95 -22.585 12.026 -11.909 1.00 0.00 O ATOM 1394 OE2 GLU A 95 -21.205 13.265 -13.006 1.00 0.00 O ATOM 0 H GLU A 95 -17.778 9.800 -13.579 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.248 12.231 -12.791 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -19.778 9.367 -13.229 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -20.507 9.937 -11.741 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.832 11.254 -14.486 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -22.041 10.269 -13.688 1.00 0.00 H new ATOM 1401 N GLU A 96 -17.522 10.474 -10.686 1.00 0.00 N ATOM 1402 CA GLU A 96 -17.072 10.433 -9.267 1.00 0.00 C ATOM 1403 C GLU A 96 -16.319 11.723 -8.940 1.00 0.00 C ATOM 1404 O GLU A 96 -16.243 12.139 -7.801 1.00 0.00 O ATOM 1405 CB GLU A 96 -16.144 9.234 -9.060 1.00 0.00 C ATOM 1406 CG GLU A 96 -15.866 9.054 -7.566 1.00 0.00 C ATOM 1407 CD GLU A 96 -16.939 8.152 -6.952 1.00 0.00 C ATOM 1408 OE1 GLU A 96 -18.097 8.535 -6.987 1.00 0.00 O ATOM 1409 OE2 GLU A 96 -16.585 7.094 -6.459 1.00 0.00 O ATOM 0 H GLU A 96 -16.988 9.889 -11.328 1.00 0.00 H new ATOM 0 HA GLU A 96 -17.937 10.338 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.602 8.332 -9.467 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.209 9.387 -9.599 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.879 8.615 -7.419 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.861 10.023 -7.067 1.00 0.00 H new ATOM 1416 N LEU A 97 -15.762 12.360 -9.934 1.00 0.00 N ATOM 1417 CA LEU A 97 -15.014 13.625 -9.685 1.00 0.00 C ATOM 1418 C LEU A 97 -15.788 14.797 -10.294 1.00 0.00 C ATOM 1419 O LEU A 97 -15.584 15.940 -9.938 1.00 0.00 O ATOM 1420 CB LEU A 97 -13.631 13.535 -10.332 1.00 0.00 C ATOM 1421 CG LEU A 97 -12.724 12.654 -9.474 1.00 0.00 C ATOM 1422 CD1 LEU A 97 -11.571 12.124 -10.329 1.00 0.00 C ATOM 1423 CD2 LEU A 97 -12.160 13.479 -8.315 1.00 0.00 C ATOM 0 H LEU A 97 -15.793 12.059 -10.908 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.902 13.779 -8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.714 13.120 -11.337 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -13.199 14.531 -10.433 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.299 11.817 -9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.924 11.495 -9.717 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.971 11.537 -11.156 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.996 12.962 -10.724 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -11.513 12.851 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.585 14.316 -8.710 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.980 13.858 -7.705 1.00 0.00 H new ATOM 1435 N GLU A 98 -16.678 14.518 -11.208 1.00 0.00 N ATOM 1436 CA GLU A 98 -17.469 15.612 -11.839 1.00 0.00 C ATOM 1437 C GLU A 98 -16.541 16.767 -12.216 1.00 0.00 C ATOM 1438 O GLU A 98 -16.668 17.867 -11.714 1.00 0.00 O ATOM 1439 CB GLU A 98 -18.528 16.108 -10.851 1.00 0.00 C ATOM 1440 CG GLU A 98 -18.989 14.944 -9.972 1.00 0.00 C ATOM 1441 CD GLU A 98 -20.284 15.328 -9.253 1.00 0.00 C ATOM 1442 OE1 GLU A 98 -21.219 15.724 -9.930 1.00 0.00 O ATOM 1443 OE2 GLU A 98 -20.319 15.219 -8.039 1.00 0.00 O ATOM 0 H GLU A 98 -16.891 13.579 -11.545 1.00 0.00 H new ATOM 0 HA GLU A 98 -17.957 15.234 -12.738 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.118 16.905 -10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -19.376 16.528 -11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.149 14.055 -10.582 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -18.216 14.696 -9.244 1.00 0.00 H new ATOM 1450 N LEU A 99 -15.609 16.531 -13.099 1.00 0.00 N ATOM 1451 CA LEU A 99 -14.677 17.619 -13.508 1.00 0.00 C ATOM 1452 C LEU A 99 -15.171 18.245 -14.815 1.00 0.00 C ATOM 1453 O LEU A 99 -15.837 17.605 -15.603 1.00 0.00 O ATOM 1454 CB LEU A 99 -13.276 17.039 -13.721 1.00 0.00 C ATOM 1455 CG LEU A 99 -13.382 15.724 -14.497 1.00 0.00 C ATOM 1456 CD1 LEU A 99 -12.044 15.421 -15.175 1.00 0.00 C ATOM 1457 CD2 LEU A 99 -13.735 14.588 -13.533 1.00 0.00 C ATOM 0 H LEU A 99 -15.453 15.632 -13.555 1.00 0.00 H new ATOM 0 HA LEU A 99 -14.641 18.379 -12.728 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -12.656 17.749 -14.269 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -12.791 16.869 -12.760 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.161 15.812 -15.254 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -12.120 14.484 -15.727 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.793 16.229 -15.863 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -11.264 15.334 -14.418 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.810 13.652 -14.086 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.957 14.500 -12.774 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.689 14.803 -13.051 1.00 0.00 H new ATOM 1469 N PRO A 100 -14.843 19.490 -15.046 1.00 0.00 N ATOM 1470 CA PRO A 100 -15.256 20.211 -16.281 1.00 0.00 C ATOM 1471 C PRO A 100 -15.076 19.350 -17.537 1.00 0.00 C ATOM 1472 O PRO A 100 -14.230 18.479 -17.583 1.00 0.00 O ATOM 1473 CB PRO A 100 -14.321 21.419 -16.325 1.00 0.00 C ATOM 1474 CG PRO A 100 -13.928 21.675 -14.906 1.00 0.00 C ATOM 1475 CD PRO A 100 -14.043 20.345 -14.155 1.00 0.00 C ATOM 0 HA PRO A 100 -16.312 20.479 -16.262 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -13.447 21.216 -16.943 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -14.821 22.286 -16.756 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.910 22.060 -14.853 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -14.577 22.427 -14.457 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -13.062 19.911 -13.963 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -14.529 20.475 -13.188 1.00 0.00 H new ATOM 1483 N PRO A 101 -15.867 19.595 -18.545 1.00 0.00 N ATOM 1484 CA PRO A 101 -15.801 18.834 -19.826 1.00 0.00 C ATOM 1485 C PRO A 101 -14.591 19.234 -20.676 1.00 0.00 C ATOM 1486 O PRO A 101 -14.266 18.589 -21.653 1.00 0.00 O ATOM 1487 CB PRO A 101 -17.098 19.211 -20.538 1.00 0.00 C ATOM 1488 CG PRO A 101 -17.462 20.557 -20.005 1.00 0.00 C ATOM 1489 CD PRO A 101 -16.916 20.626 -18.576 1.00 0.00 C ATOM 0 HA PRO A 101 -15.692 17.763 -19.655 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.959 19.240 -21.619 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -17.883 18.483 -20.337 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -17.033 21.347 -20.622 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -18.543 20.697 -20.014 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -16.512 21.613 -18.350 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -17.695 20.425 -17.841 1.00 0.00 H new ATOM 1497 N VAL A 102 -13.924 20.296 -20.313 1.00 0.00 N ATOM 1498 CA VAL A 102 -12.739 20.737 -21.102 1.00 0.00 C ATOM 1499 C VAL A 102 -11.472 20.109 -20.516 1.00 0.00 C ATOM 1500 O VAL A 102 -10.368 20.477 -20.865 1.00 0.00 O ATOM 1501 CB VAL A 102 -12.627 22.260 -21.043 1.00 0.00 C ATOM 1502 CG1 VAL A 102 -13.935 22.887 -21.530 1.00 0.00 C ATOM 1503 CG2 VAL A 102 -12.361 22.695 -19.599 1.00 0.00 C ATOM 0 H VAL A 102 -14.148 20.877 -19.505 1.00 0.00 H new ATOM 0 HA VAL A 102 -12.854 20.420 -22.139 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.806 22.589 -21.680 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.856 23.973 -21.488 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -14.127 22.577 -22.557 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.756 22.558 -20.892 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.281 23.781 -19.555 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.182 22.366 -18.963 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -11.430 22.248 -19.250 1.00 0.00 H new ATOM 1513 N LYS A 103 -11.621 19.165 -19.629 1.00 0.00 N ATOM 1514 CA LYS A 103 -10.423 18.516 -19.024 1.00 0.00 C ATOM 1515 C LYS A 103 -10.672 17.013 -18.888 1.00 0.00 C ATOM 1516 O LYS A 103 -9.882 16.292 -18.312 1.00 0.00 O ATOM 1517 CB LYS A 103 -10.157 19.120 -17.644 1.00 0.00 C ATOM 1518 CG LYS A 103 -9.096 20.216 -17.763 1.00 0.00 C ATOM 1519 CD LYS A 103 -8.988 20.971 -16.437 1.00 0.00 C ATOM 1520 CE LYS A 103 -7.953 22.090 -16.570 1.00 0.00 C ATOM 1521 NZ LYS A 103 -8.274 23.181 -15.607 1.00 0.00 N ATOM 0 H LYS A 103 -12.519 18.815 -19.297 1.00 0.00 H new ATOM 0 HA LYS A 103 -9.556 18.683 -19.664 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -11.078 19.533 -17.233 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.820 18.346 -16.955 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.133 19.777 -18.023 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.359 20.905 -18.565 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.957 21.388 -16.164 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.699 20.287 -15.639 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.954 21.701 -16.375 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.951 22.478 -17.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.571 23.942 -15.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.221 23.559 -15.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.255 22.805 -14.638 1.00 0.00 H new ATOM 1535 N VAL A 104 -11.767 16.536 -19.415 1.00 0.00 N ATOM 1536 CA VAL A 104 -12.068 15.079 -19.318 1.00 0.00 C ATOM 1537 C VAL A 104 -10.824 14.274 -19.700 1.00 0.00 C ATOM 1538 O VAL A 104 -10.719 13.100 -19.406 1.00 0.00 O ATOM 1539 CB VAL A 104 -13.214 14.738 -20.274 1.00 0.00 C ATOM 1540 CG1 VAL A 104 -13.803 13.373 -19.910 1.00 0.00 C ATOM 1541 CG2 VAL A 104 -14.302 15.807 -20.160 1.00 0.00 C ATOM 0 H VAL A 104 -12.466 17.092 -19.908 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.357 14.831 -18.297 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.835 14.705 -21.295 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.618 13.135 -20.593 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.029 12.610 -19.989 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.182 13.401 -18.888 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.120 15.568 -20.839 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.677 15.837 -19.137 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -13.885 16.780 -20.422 1.00 0.00 H new ATOM 1551 N HIS A 105 -9.882 14.896 -20.352 1.00 0.00 N ATOM 1552 CA HIS A 105 -8.645 14.168 -20.753 1.00 0.00 C ATOM 1553 C HIS A 105 -8.054 13.455 -19.535 1.00 0.00 C ATOM 1554 O HIS A 105 -7.206 12.593 -19.658 1.00 0.00 O ATOM 1555 CB HIS A 105 -7.623 15.168 -21.299 1.00 0.00 C ATOM 1556 CG HIS A 105 -7.286 16.171 -20.230 1.00 0.00 C ATOM 1557 ND1 HIS A 105 -7.170 15.816 -18.893 1.00 0.00 N ATOM 1558 CD2 HIS A 105 -7.040 17.521 -20.281 1.00 0.00 C ATOM 1559 CE1 HIS A 105 -6.866 16.930 -18.201 1.00 0.00 C ATOM 1560 NE2 HIS A 105 -6.777 17.994 -19.000 1.00 0.00 N ATOM 0 H HIS A 105 -9.915 15.878 -20.625 1.00 0.00 H new ATOM 0 HA HIS A 105 -8.888 13.435 -21.522 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -6.722 14.645 -21.620 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -8.026 15.675 -22.175 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -7.049 18.123 -21.178 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -6.713 16.958 -17.132 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -6.561 18.953 -18.729 1.00 0.00 H new ATOM 1568 N CYS A 106 -8.494 13.808 -18.359 1.00 0.00 N ATOM 1569 CA CYS A 106 -7.958 13.154 -17.132 1.00 0.00 C ATOM 1570 C CYS A 106 -8.565 11.757 -16.986 1.00 0.00 C ATOM 1571 O CYS A 106 -7.897 10.757 -17.166 1.00 0.00 O ATOM 1572 CB CYS A 106 -8.319 13.996 -15.908 1.00 0.00 C ATOM 1573 SG CYS A 106 -7.718 13.175 -14.411 1.00 0.00 S ATOM 0 H CYS A 106 -9.203 14.523 -18.194 1.00 0.00 H new ATOM 0 HA CYS A 106 -6.874 13.070 -17.211 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -7.877 14.989 -15.993 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -9.399 14.132 -15.852 1.00 0.00 H new ATOM 0 HG CYS A 106 -7.832 13.982 -13.398 1.00 0.00 H new ATOM 1579 N SER A 107 -9.825 11.680 -16.659 1.00 0.00 N ATOM 1580 CA SER A 107 -10.475 10.349 -16.497 1.00 0.00 C ATOM 1581 C SER A 107 -10.148 9.467 -17.704 1.00 0.00 C ATOM 1582 O SER A 107 -9.833 8.302 -17.567 1.00 0.00 O ATOM 1583 CB SER A 107 -11.990 10.531 -16.399 1.00 0.00 C ATOM 1584 OG SER A 107 -12.402 11.541 -17.311 1.00 0.00 O ATOM 0 H SER A 107 -10.434 12.482 -16.497 1.00 0.00 H new ATOM 0 HA SER A 107 -10.104 9.874 -15.589 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.496 9.592 -16.625 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.270 10.807 -15.382 1.00 0.00 H new ATOM 0 HG SER A 107 -13.373 11.659 -17.252 1.00 0.00 H new ATOM 1590 N ILE A 108 -10.226 10.011 -18.887 1.00 0.00 N ATOM 1591 CA ILE A 108 -9.922 9.202 -20.101 1.00 0.00 C ATOM 1592 C ILE A 108 -8.501 8.645 -20.003 1.00 0.00 C ATOM 1593 O ILE A 108 -8.276 7.461 -20.159 1.00 0.00 O ATOM 1594 CB ILE A 108 -10.039 10.083 -21.345 1.00 0.00 C ATOM 1595 CG1 ILE A 108 -11.518 10.307 -21.672 1.00 0.00 C ATOM 1596 CG2 ILE A 108 -9.355 9.393 -22.526 1.00 0.00 C ATOM 1597 CD1 ILE A 108 -11.638 11.246 -22.874 1.00 0.00 C ATOM 0 H ILE A 108 -10.487 10.981 -19.066 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.631 8.377 -20.172 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.557 11.043 -21.158 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -12.001 9.355 -21.891 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -12.031 10.734 -20.811 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.439 10.021 -23.413 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.302 9.232 -22.293 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.836 8.433 -22.715 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -12.691 11.406 -23.107 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.170 12.201 -22.638 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -11.139 10.801 -23.735 1.00 0.00 H new ATOM 1609 N LEU A 109 -7.539 9.488 -19.745 1.00 0.00 N ATOM 1610 CA LEU A 109 -6.134 9.004 -19.636 1.00 0.00 C ATOM 1611 C LEU A 109 -6.071 7.845 -18.641 1.00 0.00 C ATOM 1612 O LEU A 109 -5.222 6.981 -18.731 1.00 0.00 O ATOM 1613 CB LEU A 109 -5.238 10.145 -19.150 1.00 0.00 C ATOM 1614 CG LEU A 109 -4.398 10.669 -20.315 1.00 0.00 C ATOM 1615 CD1 LEU A 109 -5.297 10.903 -21.530 1.00 0.00 C ATOM 1616 CD2 LEU A 109 -3.735 11.987 -19.911 1.00 0.00 C ATOM 0 H LEU A 109 -7.665 10.490 -19.605 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.789 8.663 -20.612 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.847 10.949 -18.737 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.588 9.794 -18.348 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.631 9.937 -20.568 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.697 11.277 -22.360 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.771 9.965 -21.818 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.065 11.635 -21.279 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.136 12.362 -20.741 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.503 12.718 -19.658 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.093 11.821 -19.046 1.00 0.00 H new ATOM 1628 N ALA A 110 -6.965 7.819 -17.691 1.00 0.00 N ATOM 1629 CA ALA A 110 -6.959 6.715 -16.691 1.00 0.00 C ATOM 1630 C ALA A 110 -7.469 5.432 -17.348 1.00 0.00 C ATOM 1631 O ALA A 110 -6.855 4.388 -17.251 1.00 0.00 O ATOM 1632 CB ALA A 110 -7.869 7.085 -15.517 1.00 0.00 C ATOM 0 H ALA A 110 -7.700 8.515 -17.564 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.944 6.558 -16.327 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.865 6.277 -14.785 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.506 8.000 -15.050 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.885 7.241 -15.879 1.00 0.00 H new ATOM 1638 N GLU A 111 -8.587 5.501 -18.016 1.00 0.00 N ATOM 1639 CA GLU A 111 -9.131 4.284 -18.680 1.00 0.00 C ATOM 1640 C GLU A 111 -8.167 3.835 -19.779 1.00 0.00 C ATOM 1641 O GLU A 111 -7.860 2.668 -19.911 1.00 0.00 O ATOM 1642 CB GLU A 111 -10.495 4.603 -19.297 1.00 0.00 C ATOM 1643 CG GLU A 111 -10.849 3.531 -20.329 1.00 0.00 C ATOM 1644 CD GLU A 111 -12.369 3.456 -20.490 1.00 0.00 C ATOM 1645 OE1 GLU A 111 -13.043 4.338 -19.983 1.00 0.00 O ATOM 1646 OE2 GLU A 111 -12.833 2.520 -21.119 1.00 0.00 O ATOM 0 H GLU A 111 -9.146 6.346 -18.131 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.245 3.488 -17.945 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.258 4.641 -18.520 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.472 5.585 -19.770 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.383 3.765 -21.286 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.458 2.564 -20.012 1.00 0.00 H new ATOM 1653 N ASP A 112 -7.685 4.754 -20.569 1.00 0.00 N ATOM 1654 CA ASP A 112 -6.740 4.380 -21.657 1.00 0.00 C ATOM 1655 C ASP A 112 -5.459 3.808 -21.045 1.00 0.00 C ATOM 1656 O ASP A 112 -4.848 2.910 -21.587 1.00 0.00 O ATOM 1657 CB ASP A 112 -6.401 5.621 -22.486 1.00 0.00 C ATOM 1658 CG ASP A 112 -7.207 5.604 -23.785 1.00 0.00 C ATOM 1659 OD1 ASP A 112 -8.223 4.928 -23.820 1.00 0.00 O ATOM 1660 OD2 ASP A 112 -6.796 6.267 -24.724 1.00 0.00 O ATOM 0 H ASP A 112 -7.905 5.748 -20.508 1.00 0.00 H new ATOM 0 HA ASP A 112 -7.202 3.630 -22.299 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -6.626 6.523 -21.918 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.334 5.642 -22.708 1.00 0.00 H new ATOM 1665 N ALA A 113 -5.049 4.324 -19.919 1.00 0.00 N ATOM 1666 CA ALA A 113 -3.808 3.811 -19.272 1.00 0.00 C ATOM 1667 C ALA A 113 -3.956 2.313 -18.993 1.00 0.00 C ATOM 1668 O ALA A 113 -3.117 1.517 -19.365 1.00 0.00 O ATOM 1669 CB ALA A 113 -3.577 4.553 -17.953 1.00 0.00 C ATOM 0 H ALA A 113 -5.519 5.078 -19.419 1.00 0.00 H new ATOM 0 HA ALA A 113 -2.960 3.974 -19.937 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.670 4.179 -17.479 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.470 5.620 -18.150 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.427 4.390 -17.290 1.00 0.00 H new ATOM 1675 N ILE A 114 -5.015 1.921 -18.338 1.00 0.00 N ATOM 1676 CA ILE A 114 -5.210 0.474 -18.034 1.00 0.00 C ATOM 1677 C ILE A 114 -5.233 -0.326 -19.340 1.00 0.00 C ATOM 1678 O ILE A 114 -4.665 -1.396 -19.433 1.00 0.00 O ATOM 1679 CB ILE A 114 -6.529 0.284 -17.274 1.00 0.00 C ATOM 1680 CG1 ILE A 114 -6.366 -0.848 -16.256 1.00 0.00 C ATOM 1681 CG2 ILE A 114 -7.654 -0.070 -18.249 1.00 0.00 C ATOM 1682 CD1 ILE A 114 -5.809 -0.282 -14.948 1.00 0.00 C ATOM 0 H ILE A 114 -5.753 2.539 -18.001 1.00 0.00 H new ATOM 0 HA ILE A 114 -4.388 0.116 -17.414 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.782 1.212 -16.761 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.327 -1.331 -16.076 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -5.695 -1.611 -16.649 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.585 -0.202 -17.698 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.773 0.735 -18.975 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -7.406 -0.995 -18.770 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -5.693 -1.088 -14.223 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.840 0.180 -15.135 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -6.497 0.465 -14.553 1.00 0.00 H new ATOM 1694 N LYS A 115 -5.884 0.183 -20.352 1.00 0.00 N ATOM 1695 CA LYS A 115 -5.939 -0.551 -21.648 1.00 0.00 C ATOM 1696 C LYS A 115 -4.519 -0.716 -22.192 1.00 0.00 C ATOM 1697 O LYS A 115 -4.220 -1.658 -22.900 1.00 0.00 O ATOM 1698 CB LYS A 115 -6.785 0.239 -22.649 1.00 0.00 C ATOM 1699 CG LYS A 115 -6.839 -0.511 -23.982 1.00 0.00 C ATOM 1700 CD LYS A 115 -7.909 0.118 -24.876 1.00 0.00 C ATOM 1701 CE LYS A 115 -8.387 -0.907 -25.907 1.00 0.00 C ATOM 1702 NZ LYS A 115 -7.209 -1.516 -26.586 1.00 0.00 N ATOM 0 H LYS A 115 -6.379 1.075 -20.337 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.388 -1.532 -21.495 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.793 0.379 -22.258 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.360 1.232 -22.796 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.868 -0.470 -24.475 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.065 -1.563 -23.811 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.749 0.458 -24.270 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.505 0.995 -25.381 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.979 -1.681 -25.418 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.034 -0.426 -26.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.505 -1.924 -27.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.488 -0.785 -26.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.810 -2.265 -25.984 1.00 0.00 H new ATOM 1716 N ALA A 116 -3.639 0.192 -21.866 1.00 0.00 N ATOM 1717 CA ALA A 116 -2.239 0.086 -22.361 1.00 0.00 C ATOM 1718 C ALA A 116 -1.490 -0.964 -21.538 1.00 0.00 C ATOM 1719 O ALA A 116 -0.823 -1.827 -22.073 1.00 0.00 O ATOM 1720 CB ALA A 116 -1.541 1.441 -22.221 1.00 0.00 C ATOM 0 H ALA A 116 -3.831 1.003 -21.278 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.245 -0.209 -23.410 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.516 1.362 -22.584 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.076 2.188 -22.807 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.533 1.739 -21.173 1.00 0.00 H new ATOM 1726 N ALA A 117 -1.600 -0.900 -20.238 1.00 0.00 N ATOM 1727 CA ALA A 117 -0.899 -1.899 -19.384 1.00 0.00 C ATOM 1728 C ALA A 117 -1.259 -3.308 -19.856 1.00 0.00 C ATOM 1729 O ALA A 117 -0.465 -4.224 -19.775 1.00 0.00 O ATOM 1730 CB ALA A 117 -1.335 -1.722 -17.928 1.00 0.00 C ATOM 0 H ALA A 117 -2.144 -0.201 -19.733 1.00 0.00 H new ATOM 0 HA ALA A 117 0.178 -1.752 -19.460 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.822 -2.453 -17.303 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.082 -0.716 -17.592 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.412 -1.870 -17.850 1.00 0.00 H new ATOM 1736 N ILE A 118 -2.453 -3.488 -20.352 1.00 0.00 N ATOM 1737 CA ILE A 118 -2.865 -4.837 -20.832 1.00 0.00 C ATOM 1738 C ILE A 118 -2.246 -5.096 -22.206 1.00 0.00 C ATOM 1739 O ILE A 118 -1.777 -6.179 -22.492 1.00 0.00 O ATOM 1740 CB ILE A 118 -4.389 -4.899 -20.939 1.00 0.00 C ATOM 1741 CG1 ILE A 118 -4.992 -5.013 -19.537 1.00 0.00 C ATOM 1742 CG2 ILE A 118 -4.792 -6.120 -21.768 1.00 0.00 C ATOM 1743 CD1 ILE A 118 -6.517 -4.939 -19.630 1.00 0.00 C ATOM 0 H ILE A 118 -3.160 -2.759 -20.445 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.521 -5.595 -20.128 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.758 -3.994 -21.422 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.690 -5.953 -19.075 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.616 -4.211 -18.902 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.878 -6.165 -21.845 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.361 -6.041 -22.766 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.425 -7.025 -21.285 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -6.947 -5.020 -18.632 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -6.809 -3.987 -20.074 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.884 -5.757 -20.250 1.00 0.00 H new ATOM 1755 N ALA A 119 -2.239 -4.108 -23.060 1.00 0.00 N ATOM 1756 CA ALA A 119 -1.648 -4.300 -24.413 1.00 0.00 C ATOM 1757 C ALA A 119 -0.192 -4.747 -24.268 1.00 0.00 C ATOM 1758 O ALA A 119 0.256 -5.663 -24.928 1.00 0.00 O ATOM 1759 CB ALA A 119 -1.705 -2.981 -25.188 1.00 0.00 C ATOM 0 H ALA A 119 -2.617 -3.178 -22.878 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.211 -5.060 -24.954 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.272 -3.122 -26.178 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.743 -2.662 -25.287 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.141 -2.219 -24.651 1.00 0.00 H new ATOM 1765 N ASP A 120 0.550 -4.105 -23.407 1.00 0.00 N ATOM 1766 CA ASP A 120 1.975 -4.492 -23.216 1.00 0.00 C ATOM 1767 C ASP A 120 2.042 -5.852 -22.519 1.00 0.00 C ATOM 1768 O ASP A 120 2.693 -6.766 -22.983 1.00 0.00 O ATOM 1769 CB ASP A 120 2.679 -3.441 -22.357 1.00 0.00 C ATOM 1770 CG ASP A 120 2.863 -2.157 -23.168 1.00 0.00 C ATOM 1771 OD1 ASP A 120 1.864 -1.593 -23.581 1.00 0.00 O ATOM 1772 OD2 ASP A 120 4.000 -1.762 -23.365 1.00 0.00 O ATOM 0 H ASP A 120 0.230 -3.329 -22.828 1.00 0.00 H new ATOM 0 HA ASP A 120 2.469 -4.555 -24.186 1.00 0.00 H new ATOM 0 HB2 ASP A 120 2.093 -3.237 -21.461 1.00 0.00 H new ATOM 0 HB3 ASP A 120 3.647 -3.816 -22.026 1.00 0.00 H new ATOM 1777 N TYR A 121 1.370 -5.993 -21.408 1.00 0.00 N ATOM 1778 CA TYR A 121 1.395 -7.295 -20.685 1.00 0.00 C ATOM 1779 C TYR A 121 1.097 -8.425 -21.672 1.00 0.00 C ATOM 1780 O TYR A 121 1.722 -9.467 -21.644 1.00 0.00 O ATOM 1781 CB TYR A 121 0.334 -7.288 -19.582 1.00 0.00 C ATOM 1782 CG TYR A 121 0.066 -8.704 -19.133 1.00 0.00 C ATOM 1783 CD1 TYR A 121 1.078 -9.445 -18.512 1.00 0.00 C ATOM 1784 CD2 TYR A 121 -1.195 -9.276 -19.337 1.00 0.00 C ATOM 1785 CE1 TYR A 121 0.829 -10.758 -18.096 1.00 0.00 C ATOM 1786 CE2 TYR A 121 -1.445 -10.589 -18.920 1.00 0.00 C ATOM 1787 CZ TYR A 121 -0.432 -11.331 -18.300 1.00 0.00 C ATOM 1788 OH TYR A 121 -0.678 -12.625 -17.888 1.00 0.00 O ATOM 0 H TYR A 121 0.806 -5.264 -20.971 1.00 0.00 H new ATOM 0 HA TYR A 121 2.378 -7.447 -20.240 1.00 0.00 H new ATOM 0 HB2 TYR A 121 0.674 -6.686 -18.739 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.585 -6.832 -19.949 1.00 0.00 H new ATOM 0 HD1 TYR A 121 2.051 -9.004 -18.354 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -1.976 -8.704 -19.816 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.610 -11.330 -17.617 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.419 -11.029 -19.076 1.00 0.00 H new ATOM 0 HH TYR A 121 -1.603 -12.867 -18.104 1.00 0.00 H new ATOM 1798 N LYS A 122 0.147 -8.227 -22.545 1.00 0.00 N ATOM 1799 CA LYS A 122 -0.189 -9.289 -23.534 1.00 0.00 C ATOM 1800 C LYS A 122 0.931 -9.385 -24.573 1.00 0.00 C ATOM 1801 O LYS A 122 1.174 -10.429 -25.144 1.00 0.00 O ATOM 1802 CB LYS A 122 -1.508 -8.941 -24.231 1.00 0.00 C ATOM 1803 CG LYS A 122 -2.500 -10.094 -24.054 1.00 0.00 C ATOM 1804 CD LYS A 122 -3.051 -10.081 -22.625 1.00 0.00 C ATOM 1805 CE LYS A 122 -2.792 -11.436 -21.962 1.00 0.00 C ATOM 1806 NZ LYS A 122 -3.226 -12.528 -22.879 1.00 0.00 N ATOM 0 H LYS A 122 -0.411 -7.376 -22.616 1.00 0.00 H new ATOM 0 HA LYS A 122 -0.294 -10.245 -23.022 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -1.922 -8.024 -23.812 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.334 -8.757 -25.291 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.316 -9.999 -24.770 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -2.008 -11.045 -24.256 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.577 -9.286 -22.049 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.120 -9.870 -22.639 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -1.733 -11.542 -21.728 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.335 -11.501 -21.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.567 -13.336 -22.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -3.992 -12.183 -23.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -2.422 -12.829 -23.466 1.00 0.00 H new ATOM 1820 N ALA A 123 1.615 -8.301 -24.821 1.00 0.00 N ATOM 1821 CA ALA A 123 2.719 -8.328 -25.820 1.00 0.00 C ATOM 1822 C ALA A 123 4.042 -8.616 -25.106 1.00 0.00 C ATOM 1823 O ALA A 123 5.098 -8.604 -25.706 1.00 0.00 O ATOM 1824 CB ALA A 123 2.802 -6.974 -26.525 1.00 0.00 C ATOM 0 H ALA A 123 1.456 -7.398 -24.374 1.00 0.00 H new ATOM 0 HA ALA A 123 2.526 -9.108 -26.557 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.610 -6.993 -27.256 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.859 -6.769 -27.032 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.996 -6.193 -25.790 1.00 0.00 H new ATOM 1830 N LYS A 124 3.991 -8.875 -23.828 1.00 0.00 N ATOM 1831 CA LYS A 124 5.244 -9.165 -23.075 1.00 0.00 C ATOM 1832 C LYS A 124 5.668 -10.610 -23.334 1.00 0.00 C ATOM 1833 O LYS A 124 6.754 -10.872 -23.813 1.00 0.00 O ATOM 1834 CB LYS A 124 4.993 -8.966 -21.579 1.00 0.00 C ATOM 1835 CG LYS A 124 6.237 -8.356 -20.929 1.00 0.00 C ATOM 1836 CD LYS A 124 6.208 -6.836 -21.098 1.00 0.00 C ATOM 1837 CE LYS A 124 7.362 -6.213 -20.312 1.00 0.00 C ATOM 1838 NZ LYS A 124 7.435 -4.754 -20.610 1.00 0.00 N ATOM 0 H LYS A 124 3.136 -8.898 -23.273 1.00 0.00 H new ATOM 0 HA LYS A 124 6.034 -8.490 -23.404 1.00 0.00 H new ATOM 0 HB2 LYS A 124 4.133 -8.313 -21.427 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.755 -9.920 -21.109 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.271 -8.614 -19.871 1.00 0.00 H new ATOM 0 HG3 LYS A 124 7.137 -8.766 -21.386 1.00 0.00 H new ATOM 0 HD2 LYS A 124 6.290 -6.575 -22.153 1.00 0.00 H new ATOM 0 HD3 LYS A 124 5.257 -6.438 -20.744 1.00 0.00 H new ATOM 0 HE2 LYS A 124 7.215 -6.370 -19.243 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.301 -6.697 -20.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 8.220 -4.329 -20.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 7.594 -4.615 -21.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 6.542 -4.298 -20.334 1.00 0.00 H new