USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=20 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 26 ASN : amide:sc= -3.4! C(o=-3.4!,f=-3.8!) USER MOD Set 1.2: A 121 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 41 MET CE :methyl 169:sc=-0.00492 (180deg=-0.149) USER MOD Set 2.2: A 70 SER OG : rot -118:sc= -2.3! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.71 K(o=-1.7,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.122 K(o=-0.12,f=-1) USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -0.124 (180deg=-0.8) USER MOD Single : A 50 ASN : amide:sc= -6.22! K(o=-6.2!,f=0.32) 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 -100:sc= -0.0188 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 42:sc= 1.17 USER MOD Single : A 69 SER OG : rot 180:sc= 0.111 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 52:sc= -3.29! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0831 USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0401) USER MOD Single : A 90 ASN : amide:sc= -0.321 K(o=-0.32,f=-8.9!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-3.3!) USER MOD Single : A 106 CYS SG : rot -66:sc= 0.504 USER MOD Single : A 107 SER OG : rot -105:sc= 0.00403 USER MOD Single : A 115 LYS NZ :NH3+ 168:sc= -0.258 (180deg=-0.547) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 9.541 -8.211 -17.252 1.00 0.00 N ATOM 375 CA ASP A 24 8.882 -9.279 -16.447 1.00 0.00 C ATOM 376 C ASP A 24 7.756 -9.914 -17.264 1.00 0.00 C ATOM 377 O ASP A 24 7.355 -9.404 -18.291 1.00 0.00 O ATOM 378 CB ASP A 24 8.305 -8.667 -15.169 1.00 0.00 C ATOM 379 CG ASP A 24 8.411 -9.676 -14.025 1.00 0.00 C ATOM 380 OD1 ASP A 24 9.345 -10.461 -14.037 1.00 0.00 O ATOM 381 OD2 ASP A 24 7.557 -9.648 -13.153 1.00 0.00 O ATOM 0 HA ASP A 24 9.614 -10.043 -16.187 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.845 -7.755 -14.914 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.263 -8.387 -15.326 1.00 0.00 H new ATOM 386 N SER A 25 7.241 -11.026 -16.815 1.00 0.00 N ATOM 387 CA SER A 25 6.141 -11.695 -17.566 1.00 0.00 C ATOM 388 C SER A 25 4.804 -11.396 -16.887 1.00 0.00 C ATOM 389 O SER A 25 3.779 -11.942 -17.245 1.00 0.00 O ATOM 390 CB SER A 25 6.380 -13.205 -17.579 1.00 0.00 C ATOM 391 OG SER A 25 7.279 -13.530 -18.629 1.00 0.00 O ATOM 0 H SER A 25 7.534 -11.500 -15.961 1.00 0.00 H new ATOM 0 HA SER A 25 6.119 -11.321 -18.590 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.789 -13.528 -16.622 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.436 -13.733 -17.717 1.00 0.00 H new ATOM 0 HG SER A 25 7.435 -14.497 -18.638 1.00 0.00 H new ATOM 397 N ASN A 26 4.804 -10.533 -15.908 1.00 0.00 N ATOM 398 CA ASN A 26 3.530 -10.202 -15.208 1.00 0.00 C ATOM 399 C ASN A 26 3.529 -8.722 -14.822 1.00 0.00 C ATOM 400 O ASN A 26 2.723 -8.278 -14.028 1.00 0.00 O ATOM 401 CB ASN A 26 3.404 -11.061 -13.948 1.00 0.00 C ATOM 402 CG ASN A 26 3.601 -12.532 -14.316 1.00 0.00 C ATOM 403 OD1 ASN A 26 3.127 -12.984 -15.339 1.00 0.00 O ATOM 404 ND2 ASN A 26 4.284 -13.306 -13.518 1.00 0.00 N ATOM 0 H ASN A 26 5.630 -10.043 -15.563 1.00 0.00 H new ATOM 0 HA ASN A 26 2.688 -10.403 -15.870 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.147 -10.756 -13.211 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.424 -10.917 -13.492 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.419 -14.289 -13.754 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.683 -12.928 -12.659 1.00 0.00 H new ATOM 411 N VAL A 27 4.424 -7.954 -15.380 1.00 0.00 N ATOM 412 CA VAL A 27 4.473 -6.502 -15.050 1.00 0.00 C ATOM 413 C VAL A 27 4.219 -5.689 -16.320 1.00 0.00 C ATOM 414 O VAL A 27 5.126 -5.400 -17.075 1.00 0.00 O ATOM 415 CB VAL A 27 5.850 -6.154 -14.481 1.00 0.00 C ATOM 416 CG1 VAL A 27 5.855 -4.702 -14.005 1.00 0.00 C ATOM 417 CG2 VAL A 27 6.160 -7.078 -13.301 1.00 0.00 C ATOM 0 H VAL A 27 5.124 -8.270 -16.051 1.00 0.00 H new ATOM 0 HA VAL A 27 3.709 -6.267 -14.309 1.00 0.00 H new ATOM 0 HB VAL A 27 6.606 -6.284 -15.255 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.836 -4.455 -13.600 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.633 -4.043 -14.844 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.099 -4.570 -13.231 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.141 -6.832 -12.894 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.403 -6.947 -12.528 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.157 -8.114 -13.640 1.00 0.00 H new ATOM 427 N GLY A 28 2.990 -5.325 -16.566 1.00 0.00 N ATOM 428 CA GLY A 28 2.675 -4.540 -17.793 1.00 0.00 C ATOM 429 C GLY A 28 3.007 -3.064 -17.567 1.00 0.00 C ATOM 430 O GLY A 28 2.985 -2.573 -16.455 1.00 0.00 O ATOM 0 H GLY A 28 2.190 -5.538 -15.970 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.246 -4.925 -18.638 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.620 -4.650 -18.045 1.00 0.00 H new ATOM 434 N THR A 29 3.309 -2.353 -18.619 1.00 0.00 N ATOM 435 CA THR A 29 3.639 -0.907 -18.479 1.00 0.00 C ATOM 436 C THR A 29 2.759 -0.098 -19.433 1.00 0.00 C ATOM 437 O THR A 29 2.783 -0.296 -20.632 1.00 0.00 O ATOM 438 CB THR A 29 5.112 -0.683 -18.830 1.00 0.00 C ATOM 439 OG1 THR A 29 5.905 -1.673 -18.191 1.00 0.00 O ATOM 440 CG2 THR A 29 5.546 0.705 -18.359 1.00 0.00 C ATOM 0 H THR A 29 3.341 -2.713 -19.573 1.00 0.00 H new ATOM 0 HA THR A 29 3.460 -0.587 -17.453 1.00 0.00 H new ATOM 0 HB THR A 29 5.243 -0.754 -19.910 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.848 -1.532 -18.416 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.595 0.863 -18.610 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.937 1.463 -18.852 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.416 0.780 -17.279 1.00 0.00 H new ATOM 448 N GLY A 30 1.977 0.809 -18.915 1.00 0.00 N ATOM 449 CA GLY A 30 1.095 1.622 -19.800 1.00 0.00 C ATOM 450 C GLY A 30 1.550 3.081 -19.781 1.00 0.00 C ATOM 451 O GLY A 30 1.344 3.794 -18.819 1.00 0.00 O ATOM 0 H GLY A 30 1.910 1.022 -17.920 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.128 1.234 -20.818 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.060 1.549 -19.465 1.00 0.00 H new ATOM 455 N MET A 31 2.164 3.536 -20.839 1.00 0.00 N ATOM 456 CA MET A 31 2.626 4.951 -20.880 1.00 0.00 C ATOM 457 C MET A 31 1.812 5.723 -21.920 1.00 0.00 C ATOM 458 O MET A 31 1.914 5.484 -23.106 1.00 0.00 O ATOM 459 CB MET A 31 4.107 4.998 -21.259 1.00 0.00 C ATOM 460 CG MET A 31 4.646 6.410 -21.017 1.00 0.00 C ATOM 461 SD MET A 31 6.369 6.505 -21.562 1.00 0.00 S ATOM 462 CE MET A 31 6.480 8.310 -21.641 1.00 0.00 C ATOM 0 H MET A 31 2.365 2.989 -21.676 1.00 0.00 H new ATOM 0 HA MET A 31 2.489 5.404 -19.898 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.669 4.275 -20.667 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.235 4.722 -22.306 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.042 7.138 -21.559 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.575 6.661 -19.959 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.480 8.599 -21.963 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.746 8.689 -22.352 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.281 8.730 -20.655 1.00 0.00 H new ATOM 472 N VAL A 32 1.003 6.648 -21.483 1.00 0.00 N ATOM 473 CA VAL A 32 0.183 7.436 -22.445 1.00 0.00 C ATOM 474 C VAL A 32 0.275 8.922 -22.095 1.00 0.00 C ATOM 475 O VAL A 32 0.527 9.288 -20.963 1.00 0.00 O ATOM 476 CB VAL A 32 -1.275 6.982 -22.363 1.00 0.00 C ATOM 477 CG1 VAL A 32 -1.487 5.782 -23.288 1.00 0.00 C ATOM 478 CG2 VAL A 32 -1.602 6.578 -20.924 1.00 0.00 C ATOM 0 H VAL A 32 0.874 6.892 -20.501 1.00 0.00 H new ATOM 0 HA VAL A 32 0.557 7.277 -23.457 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.928 7.799 -22.670 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.526 5.457 -23.230 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.252 6.067 -24.313 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.834 4.965 -22.980 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.641 6.254 -20.864 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.949 5.761 -20.618 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.449 7.431 -20.263 1.00 0.00 H new ATOM 488 N GLY A 33 0.076 9.781 -23.056 1.00 0.00 N ATOM 489 CA GLY A 33 0.154 11.243 -22.776 1.00 0.00 C ATOM 490 C GLY A 33 -0.991 11.965 -23.489 1.00 0.00 C ATOM 491 O GLY A 33 -1.896 11.347 -24.014 1.00 0.00 O ATOM 0 H GLY A 33 -0.137 9.535 -24.023 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.097 11.421 -21.702 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.112 11.637 -23.114 1.00 0.00 H new ATOM 495 N ALA A 34 -0.957 13.270 -23.512 1.00 0.00 N ATOM 496 CA ALA A 34 -2.042 14.033 -24.190 1.00 0.00 C ATOM 497 C ALA A 34 -1.462 15.316 -24.795 1.00 0.00 C ATOM 498 O ALA A 34 -1.384 16.337 -24.142 1.00 0.00 O ATOM 499 CB ALA A 34 -3.122 14.396 -23.169 1.00 0.00 C ATOM 0 H ALA A 34 -0.224 13.840 -23.090 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.478 13.422 -24.981 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.917 14.954 -23.663 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.534 13.485 -22.736 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.685 15.008 -22.380 1.00 0.00 H new ATOM 505 N PRO A 35 -1.058 15.257 -26.036 1.00 0.00 N ATOM 506 CA PRO A 35 -0.471 16.429 -26.749 1.00 0.00 C ATOM 507 C PRO A 35 -1.319 17.695 -26.585 1.00 0.00 C ATOM 508 O PRO A 35 -0.814 18.754 -26.273 1.00 0.00 O ATOM 509 CB PRO A 35 -0.447 15.989 -28.212 1.00 0.00 C ATOM 510 CG PRO A 35 -0.399 14.498 -28.176 1.00 0.00 C ATOM 511 CD PRO A 35 -1.114 14.065 -26.895 1.00 0.00 C ATOM 0 HA PRO A 35 0.511 16.690 -26.356 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.332 16.341 -28.743 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.420 16.398 -28.731 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.887 14.074 -29.054 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.632 14.144 -28.182 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.143 13.765 -27.094 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.618 13.214 -26.429 1.00 0.00 H new ATOM 519 N ALA A 36 -2.603 17.593 -26.793 1.00 0.00 N ATOM 520 CA ALA A 36 -3.478 18.792 -26.650 1.00 0.00 C ATOM 521 C ALA A 36 -3.091 19.558 -25.384 1.00 0.00 C ATOM 522 O ALA A 36 -3.165 20.771 -25.335 1.00 0.00 O ATOM 523 CB ALA A 36 -4.938 18.347 -26.552 1.00 0.00 C ATOM 0 H ALA A 36 -3.084 16.733 -27.055 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.353 19.440 -27.518 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.579 19.222 -26.447 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.213 17.801 -27.455 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.064 17.700 -25.684 1.00 0.00 H new ATOM 529 N CYS A 37 -2.683 18.863 -24.358 1.00 0.00 N ATOM 530 CA CYS A 37 -2.294 19.554 -23.096 1.00 0.00 C ATOM 531 C CYS A 37 -0.832 19.240 -22.770 1.00 0.00 C ATOM 532 O CYS A 37 -0.355 19.513 -21.686 1.00 0.00 O ATOM 533 CB CYS A 37 -3.188 19.067 -21.954 1.00 0.00 C ATOM 534 SG CYS A 37 -4.778 19.931 -22.022 1.00 0.00 S ATOM 0 H CYS A 37 -2.602 17.846 -24.339 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.414 20.630 -23.219 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.343 17.991 -22.033 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.703 19.250 -20.995 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.539 19.516 -21.053 1.00 0.00 H new ATOM 540 N GLY A 38 -0.115 18.670 -23.700 1.00 0.00 N ATOM 541 CA GLY A 38 1.316 18.342 -23.445 1.00 0.00 C ATOM 542 C GLY A 38 1.473 17.792 -22.025 1.00 0.00 C ATOM 543 O GLY A 38 2.228 18.312 -21.228 1.00 0.00 O ATOM 0 H GLY A 38 -0.459 18.417 -24.626 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.666 17.608 -24.171 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.931 19.233 -23.571 1.00 0.00 H new ATOM 547 N ASP A 39 0.766 16.743 -21.704 1.00 0.00 N ATOM 548 CA ASP A 39 0.877 16.161 -20.337 1.00 0.00 C ATOM 549 C ASP A 39 1.249 14.681 -20.444 1.00 0.00 C ATOM 550 O ASP A 39 0.514 13.885 -20.993 1.00 0.00 O ATOM 551 CB ASP A 39 -0.464 16.299 -19.612 1.00 0.00 C ATOM 552 CG ASP A 39 -0.260 16.055 -18.116 1.00 0.00 C ATOM 553 OD1 ASP A 39 0.153 14.960 -17.765 1.00 0.00 O ATOM 554 OD2 ASP A 39 -0.518 16.964 -17.346 1.00 0.00 O ATOM 0 H ASP A 39 0.117 16.264 -22.329 1.00 0.00 H new ATOM 0 HA ASP A 39 1.648 16.691 -19.777 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.878 17.294 -19.776 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.182 15.584 -20.014 1.00 0.00 H new ATOM 559 N VAL A 40 2.388 14.306 -19.926 1.00 0.00 N ATOM 560 CA VAL A 40 2.805 12.878 -20.002 1.00 0.00 C ATOM 561 C VAL A 40 2.276 12.124 -18.779 1.00 0.00 C ATOM 562 O VAL A 40 2.448 12.550 -17.654 1.00 0.00 O ATOM 563 CB VAL A 40 4.332 12.792 -20.030 1.00 0.00 C ATOM 564 CG1 VAL A 40 4.762 11.324 -20.028 1.00 0.00 C ATOM 565 CG2 VAL A 40 4.857 13.474 -21.295 1.00 0.00 C ATOM 0 H VAL A 40 3.046 14.927 -19.454 1.00 0.00 H new ATOM 0 HA VAL A 40 2.398 12.431 -20.909 1.00 0.00 H new ATOM 0 HB VAL A 40 4.739 13.291 -19.151 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.850 11.264 -20.048 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.388 10.837 -19.128 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.355 10.824 -20.907 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.945 13.413 -21.316 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.449 12.975 -22.174 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.552 14.520 -21.298 1.00 0.00 H new ATOM 575 N MET A 41 1.637 11.006 -18.991 1.00 0.00 N ATOM 576 CA MET A 41 1.101 10.223 -17.842 1.00 0.00 C ATOM 577 C MET A 41 1.564 8.769 -17.960 1.00 0.00 C ATOM 578 O MET A 41 1.548 8.189 -19.027 1.00 0.00 O ATOM 579 CB MET A 41 -0.428 10.276 -17.853 1.00 0.00 C ATOM 580 CG MET A 41 -0.974 9.539 -16.629 1.00 0.00 C ATOM 581 SD MET A 41 -1.368 7.831 -17.081 1.00 0.00 S ATOM 582 CE MET A 41 -2.436 7.462 -15.668 1.00 0.00 C ATOM 0 H MET A 41 1.463 10.601 -19.911 1.00 0.00 H new ATOM 0 HA MET A 41 1.469 10.649 -16.908 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.766 11.312 -17.847 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.812 9.820 -18.766 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.239 9.553 -15.824 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.865 10.043 -16.255 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.952 6.517 -15.839 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.831 7.387 -14.765 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.169 8.260 -15.548 1.00 0.00 H new ATOM 592 N GLN A 42 1.980 8.177 -16.875 1.00 0.00 N ATOM 593 CA GLN A 42 2.446 6.762 -16.931 1.00 0.00 C ATOM 594 C GLN A 42 1.606 5.905 -15.983 1.00 0.00 C ATOM 595 O GLN A 42 0.917 6.410 -15.118 1.00 0.00 O ATOM 596 CB GLN A 42 3.916 6.692 -16.514 1.00 0.00 C ATOM 597 CG GLN A 42 4.502 5.345 -16.938 1.00 0.00 C ATOM 598 CD GLN A 42 5.988 5.296 -16.575 1.00 0.00 C ATOM 599 OE1 GLN A 42 6.774 4.683 -17.269 1.00 0.00 O ATOM 600 NE2 GLN A 42 6.408 5.918 -15.507 1.00 0.00 N ATOM 0 H GLN A 42 2.018 8.611 -15.953 1.00 0.00 H new ATOM 0 HA GLN A 42 2.337 6.387 -17.949 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.475 7.506 -16.976 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.005 6.816 -15.435 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.969 4.533 -16.443 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.374 5.203 -18.011 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.748 6.433 -14.924 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.396 5.889 -15.255 1.00 0.00 H new ATOM 609 N LEU A 43 1.658 4.610 -16.138 1.00 0.00 N ATOM 610 CA LEU A 43 0.864 3.718 -15.248 1.00 0.00 C ATOM 611 C LEU A 43 1.478 2.316 -15.258 1.00 0.00 C ATOM 612 O LEU A 43 1.672 1.720 -16.299 1.00 0.00 O ATOM 613 CB LEU A 43 -0.578 3.647 -15.752 1.00 0.00 C ATOM 614 CG LEU A 43 -1.452 2.947 -14.710 1.00 0.00 C ATOM 615 CD1 LEU A 43 -2.172 3.995 -13.861 1.00 0.00 C ATOM 616 CD2 LEU A 43 -2.484 2.068 -15.420 1.00 0.00 C ATOM 0 H LEU A 43 2.217 4.131 -16.844 1.00 0.00 H new ATOM 0 HA LEU A 43 0.873 4.113 -14.232 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.957 4.651 -15.944 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.617 3.106 -16.697 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.827 2.327 -14.067 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.795 3.496 -13.118 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.437 4.622 -13.356 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.798 4.615 -14.502 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.108 1.568 -14.679 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.110 2.688 -16.062 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.971 1.321 -16.025 1.00 0.00 H new ATOM 628 N GLN A 44 1.783 1.784 -14.107 1.00 0.00 N ATOM 629 CA GLN A 44 2.382 0.421 -14.052 1.00 0.00 C ATOM 630 C GLN A 44 1.445 -0.518 -13.289 1.00 0.00 C ATOM 631 O GLN A 44 0.846 -0.142 -12.301 1.00 0.00 O ATOM 632 CB GLN A 44 3.733 0.487 -13.335 1.00 0.00 C ATOM 633 CG GLN A 44 4.842 0.727 -14.361 1.00 0.00 C ATOM 634 CD GLN A 44 6.052 1.356 -13.667 1.00 0.00 C ATOM 635 OE1 GLN A 44 5.904 2.239 -12.845 1.00 0.00 O ATOM 636 NE2 GLN A 44 7.251 0.936 -13.965 1.00 0.00 N ATOM 0 H GLN A 44 1.643 2.234 -13.202 1.00 0.00 H new ATOM 0 HA GLN A 44 2.526 0.046 -15.065 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.726 1.289 -12.596 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.917 -0.442 -12.795 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.127 -0.214 -14.831 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.483 1.383 -15.154 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.375 0.195 -14.655 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.064 1.349 -13.508 1.00 0.00 H new ATOM 645 N ILE A 45 1.311 -1.736 -13.739 1.00 0.00 N ATOM 646 CA ILE A 45 0.410 -2.692 -13.035 1.00 0.00 C ATOM 647 C ILE A 45 1.158 -3.999 -12.768 1.00 0.00 C ATOM 648 O ILE A 45 1.678 -4.624 -13.672 1.00 0.00 O ATOM 649 CB ILE A 45 -0.815 -2.973 -13.909 1.00 0.00 C ATOM 650 CG1 ILE A 45 -0.453 -2.753 -15.379 1.00 0.00 C ATOM 651 CG2 ILE A 45 -1.949 -2.023 -13.518 1.00 0.00 C ATOM 652 CD1 ILE A 45 -1.259 -3.716 -16.254 1.00 0.00 C ATOM 0 H ILE A 45 1.785 -2.109 -14.561 1.00 0.00 H new ATOM 0 HA ILE A 45 0.090 -2.259 -12.087 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.137 -4.004 -13.763 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.663 -1.722 -15.666 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.614 -2.915 -15.530 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.822 -2.223 -14.140 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.207 -2.177 -12.470 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.627 -0.992 -13.665 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.001 -3.559 -17.301 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.027 -4.743 -15.973 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.324 -3.532 -16.111 1.00 0.00 H new ATOM 664 N LYS A 46 1.217 -4.420 -11.534 1.00 0.00 N ATOM 665 CA LYS A 46 1.931 -5.687 -11.213 1.00 0.00 C ATOM 666 C LYS A 46 0.913 -6.812 -11.017 1.00 0.00 C ATOM 667 O LYS A 46 -0.161 -6.607 -10.486 1.00 0.00 O ATOM 668 CB LYS A 46 2.742 -5.506 -9.928 1.00 0.00 C ATOM 669 CG LYS A 46 3.331 -6.854 -9.504 1.00 0.00 C ATOM 670 CD LYS A 46 4.202 -6.666 -8.260 1.00 0.00 C ATOM 671 CE LYS A 46 4.873 -7.993 -7.904 1.00 0.00 C ATOM 672 NZ LYS A 46 3.842 -9.067 -7.836 1.00 0.00 N ATOM 0 H LYS A 46 0.802 -3.941 -10.735 1.00 0.00 H new ATOM 0 HA LYS A 46 2.602 -5.942 -12.034 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.541 -4.782 -10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.106 -5.109 -9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.530 -7.563 -9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.925 -7.274 -10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.957 -5.902 -8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.593 -6.318 -7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.626 -8.244 -8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.388 -7.907 -6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.203 -9.859 -7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.978 -8.691 -7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.625 -9.401 -8.797 1.00 0.00 H new ATOM 686 N VAL A 47 1.243 -8.002 -11.439 1.00 0.00 N ATOM 687 CA VAL A 47 0.297 -9.141 -11.276 1.00 0.00 C ATOM 688 C VAL A 47 1.040 -10.332 -10.669 1.00 0.00 C ATOM 689 O VAL A 47 2.245 -10.445 -10.777 1.00 0.00 O ATOM 690 CB VAL A 47 -0.270 -9.534 -12.642 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.217 -10.724 -12.477 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.040 -8.351 -13.232 1.00 0.00 C ATOM 0 H VAL A 47 2.128 -8.234 -11.890 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.520 -8.846 -10.617 1.00 0.00 H new ATOM 0 HB VAL A 47 0.547 -9.808 -13.310 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.621 -11.005 -13.449 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.671 -11.567 -12.054 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.034 -10.449 -11.810 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.445 -8.629 -14.205 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.857 -8.079 -12.564 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.368 -7.501 -13.348 1.00 0.00 H new ATOM 702 N ASP A 48 0.332 -11.222 -10.028 1.00 0.00 N ATOM 703 CA ASP A 48 1.000 -12.403 -9.412 1.00 0.00 C ATOM 704 C ASP A 48 1.158 -13.505 -10.463 1.00 0.00 C ATOM 705 O ASP A 48 1.986 -13.420 -11.347 1.00 0.00 O ATOM 706 CB ASP A 48 0.148 -12.922 -8.253 1.00 0.00 C ATOM 707 CG ASP A 48 0.713 -14.253 -7.759 1.00 0.00 C ATOM 708 OD1 ASP A 48 1.910 -14.317 -7.526 1.00 0.00 O ATOM 709 OD2 ASP A 48 -0.059 -15.189 -7.623 1.00 0.00 O ATOM 0 H ASP A 48 -0.680 -11.182 -9.905 1.00 0.00 H new ATOM 0 HA ASP A 48 1.982 -12.113 -9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.139 -12.195 -7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.885 -13.051 -8.577 1.00 0.00 H new ATOM 714 N ASP A 49 0.368 -14.538 -10.371 1.00 0.00 N ATOM 715 CA ASP A 49 0.469 -15.647 -11.362 1.00 0.00 C ATOM 716 C ASP A 49 -0.935 -16.133 -11.723 1.00 0.00 C ATOM 717 O ASP A 49 -1.104 -17.133 -12.392 1.00 0.00 O ATOM 718 CB ASP A 49 1.270 -16.802 -10.755 1.00 0.00 C ATOM 719 CG ASP A 49 0.646 -17.207 -9.419 1.00 0.00 C ATOM 720 OD1 ASP A 49 -0.383 -17.863 -9.441 1.00 0.00 O ATOM 721 OD2 ASP A 49 1.208 -16.854 -8.394 1.00 0.00 O ATOM 0 H ASP A 49 -0.344 -14.663 -9.652 1.00 0.00 H new ATOM 0 HA ASP A 49 0.973 -15.290 -12.260 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.278 -17.652 -11.438 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.307 -16.502 -10.608 1.00 0.00 H new ATOM 726 N ASN A 50 -1.944 -15.433 -11.283 1.00 0.00 N ATOM 727 CA ASN A 50 -3.339 -15.853 -11.598 1.00 0.00 C ATOM 728 C ASN A 50 -4.080 -14.696 -12.271 1.00 0.00 C ATOM 729 O ASN A 50 -4.974 -14.899 -13.069 1.00 0.00 O ATOM 730 CB ASN A 50 -4.059 -16.233 -10.303 1.00 0.00 C ATOM 731 CG ASN A 50 -3.354 -15.573 -9.116 1.00 0.00 C ATOM 732 OD1 ASN A 50 -2.931 -16.245 -8.196 1.00 0.00 O ATOM 733 ND2 ASN A 50 -3.208 -14.277 -9.098 1.00 0.00 N ATOM 0 H ASN A 50 -1.863 -14.587 -10.718 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.318 -16.711 -12.270 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.100 -15.913 -10.346 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.063 -17.316 -10.181 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.739 -13.828 -8.312 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.563 -13.713 -9.870 1.00 0.00 H new ATOM 740 N GLY A 51 -3.716 -13.483 -11.956 1.00 0.00 N ATOM 741 CA GLY A 51 -4.402 -12.315 -12.578 1.00 0.00 C ATOM 742 C GLY A 51 -4.703 -11.268 -11.505 1.00 0.00 C ATOM 743 O GLY A 51 -5.170 -10.184 -11.796 1.00 0.00 O ATOM 0 H GLY A 51 -2.974 -13.250 -11.296 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.773 -11.883 -13.356 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.327 -12.636 -13.057 1.00 0.00 H new ATOM 747 N ILE A 52 -4.440 -11.581 -10.266 1.00 0.00 N ATOM 748 CA ILE A 52 -4.711 -10.602 -9.175 1.00 0.00 C ATOM 749 C ILE A 52 -3.585 -9.568 -9.126 1.00 0.00 C ATOM 750 O ILE A 52 -2.421 -9.898 -9.228 1.00 0.00 O ATOM 751 CB ILE A 52 -4.780 -11.338 -7.836 1.00 0.00 C ATOM 752 CG1 ILE A 52 -5.849 -12.431 -7.909 1.00 0.00 C ATOM 753 CG2 ILE A 52 -5.141 -10.347 -6.727 1.00 0.00 C ATOM 754 CD1 ILE A 52 -7.194 -11.806 -8.282 1.00 0.00 C ATOM 0 H ILE A 52 -4.049 -12.473 -9.962 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.660 -10.100 -9.366 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.812 -11.789 -7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.567 -13.181 -8.648 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.927 -12.942 -6.950 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.190 -10.871 -5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.381 -9.567 -6.674 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.109 -9.896 -6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.955 -12.585 -8.334 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.476 -11.072 -7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.111 -11.315 -9.252 1.00 0.00 H new ATOM 766 N ILE A 53 -3.924 -8.318 -8.966 1.00 0.00 N ATOM 767 CA ILE A 53 -2.872 -7.264 -8.905 1.00 0.00 C ATOM 768 C ILE A 53 -2.458 -7.049 -7.448 1.00 0.00 C ATOM 769 O ILE A 53 -3.190 -6.484 -6.661 1.00 0.00 O ATOM 770 CB ILE A 53 -3.427 -5.959 -9.479 1.00 0.00 C ATOM 771 CG1 ILE A 53 -3.282 -5.970 -11.004 1.00 0.00 C ATOM 772 CG2 ILE A 53 -2.646 -4.776 -8.905 1.00 0.00 C ATOM 773 CD1 ILE A 53 -4.306 -5.018 -11.622 1.00 0.00 C ATOM 0 H ILE A 53 -4.883 -7.981 -8.875 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.005 -7.575 -9.488 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.480 -5.865 -9.213 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.273 -5.668 -11.286 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.431 -6.980 -11.387 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.041 -3.846 -9.314 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.746 -4.766 -7.820 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.593 -4.871 -9.172 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.202 -5.026 -12.707 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.312 -5.340 -11.351 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.135 -4.008 -11.249 1.00 0.00 H new ATOM 785 N GLU A 54 -1.291 -7.503 -7.082 1.00 0.00 N ATOM 786 CA GLU A 54 -0.831 -7.333 -5.674 1.00 0.00 C ATOM 787 C GLU A 54 -0.507 -5.862 -5.411 1.00 0.00 C ATOM 788 O GLU A 54 -0.399 -5.435 -4.278 1.00 0.00 O ATOM 789 CB GLU A 54 0.422 -8.181 -5.441 1.00 0.00 C ATOM 790 CG GLU A 54 0.013 -9.628 -5.155 1.00 0.00 C ATOM 791 CD GLU A 54 -0.371 -9.769 -3.680 1.00 0.00 C ATOM 792 OE1 GLU A 54 -1.059 -8.894 -3.182 1.00 0.00 O ATOM 793 OE2 GLU A 54 0.029 -10.751 -3.075 1.00 0.00 O ATOM 0 H GLU A 54 -0.635 -7.985 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.621 -7.655 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.069 -8.141 -6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.994 -7.781 -4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.827 -9.912 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.835 -10.303 -5.394 1.00 0.00 H new ATOM 800 N ASP A 55 -0.348 -5.079 -6.444 1.00 0.00 N ATOM 801 CA ASP A 55 -0.029 -3.639 -6.237 1.00 0.00 C ATOM 802 C ASP A 55 -0.066 -2.902 -7.578 1.00 0.00 C ATOM 803 O ASP A 55 0.184 -3.474 -8.621 1.00 0.00 O ATOM 804 CB ASP A 55 1.365 -3.509 -5.624 1.00 0.00 C ATOM 805 CG ASP A 55 1.781 -2.037 -5.609 1.00 0.00 C ATOM 806 OD1 ASP A 55 0.900 -1.193 -5.584 1.00 0.00 O ATOM 807 OD2 ASP A 55 2.973 -1.778 -5.624 1.00 0.00 O ATOM 0 H ASP A 55 -0.425 -5.373 -7.418 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.767 -3.201 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.367 -3.909 -4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.083 -4.095 -6.199 1.00 0.00 H new ATOM 812 N ALA A 56 -0.372 -1.634 -7.556 1.00 0.00 N ATOM 813 CA ALA A 56 -0.422 -0.854 -8.824 1.00 0.00 C ATOM 814 C ALA A 56 0.332 0.465 -8.638 1.00 0.00 C ATOM 815 O ALA A 56 -0.127 1.361 -7.959 1.00 0.00 O ATOM 816 CB ALA A 56 -1.880 -0.560 -9.185 1.00 0.00 C ATOM 0 H ALA A 56 -0.590 -1.104 -6.712 1.00 0.00 H new ATOM 0 HA ALA A 56 0.041 -1.430 -9.625 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.917 0.011 -10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.419 -1.498 -9.314 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.344 0.017 -8.385 1.00 0.00 H new ATOM 822 N LYS A 57 1.487 0.590 -9.233 1.00 0.00 N ATOM 823 CA LYS A 57 2.268 1.850 -9.085 1.00 0.00 C ATOM 824 C LYS A 57 1.957 2.786 -10.255 1.00 0.00 C ATOM 825 O LYS A 57 1.571 2.353 -11.324 1.00 0.00 O ATOM 826 CB LYS A 57 3.763 1.526 -9.075 1.00 0.00 C ATOM 827 CG LYS A 57 4.281 1.543 -7.635 1.00 0.00 C ATOM 828 CD LYS A 57 5.810 1.473 -7.639 1.00 0.00 C ATOM 829 CE LYS A 57 6.385 2.887 -7.735 1.00 0.00 C ATOM 830 NZ LYS A 57 7.527 2.894 -8.693 1.00 0.00 N ATOM 0 H LYS A 57 1.923 -0.126 -9.815 1.00 0.00 H new ATOM 0 HA LYS A 57 1.995 2.337 -8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.937 0.548 -9.523 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.307 2.254 -9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.950 2.450 -7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.870 0.700 -7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.165 0.986 -6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.155 0.871 -8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.614 3.583 -8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.718 3.223 -6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.919 3.855 -8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.265 2.242 -8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.195 2.590 -9.631 1.00 0.00 H new ATOM 844 N PHE A 58 2.122 4.066 -10.064 1.00 0.00 N ATOM 845 CA PHE A 58 1.837 5.029 -11.165 1.00 0.00 C ATOM 846 C PHE A 58 2.942 6.086 -11.219 1.00 0.00 C ATOM 847 O PHE A 58 3.906 6.029 -10.482 1.00 0.00 O ATOM 848 CB PHE A 58 0.492 5.712 -10.907 1.00 0.00 C ATOM 849 CG PHE A 58 0.453 6.225 -9.488 1.00 0.00 C ATOM 850 CD1 PHE A 58 0.406 5.323 -8.419 1.00 0.00 C ATOM 851 CD2 PHE A 58 0.465 7.603 -9.241 1.00 0.00 C ATOM 852 CE1 PHE A 58 0.371 5.799 -7.103 1.00 0.00 C ATOM 853 CE2 PHE A 58 0.429 8.079 -7.925 1.00 0.00 C ATOM 854 CZ PHE A 58 0.382 7.177 -6.855 1.00 0.00 C ATOM 0 H PHE A 58 2.442 4.487 -9.192 1.00 0.00 H new ATOM 0 HA PHE A 58 1.799 4.495 -12.114 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.350 6.535 -11.607 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.323 5.008 -11.073 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.397 4.260 -8.609 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.502 8.299 -10.066 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.335 5.103 -6.278 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.437 9.142 -7.735 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.354 7.544 -5.840 1.00 0.00 H new ATOM 864 N LYS A 59 2.810 7.052 -12.087 1.00 0.00 N ATOM 865 CA LYS A 59 3.851 8.113 -12.189 1.00 0.00 C ATOM 866 C LYS A 59 3.317 9.267 -13.040 1.00 0.00 C ATOM 867 O LYS A 59 3.198 9.160 -14.244 1.00 0.00 O ATOM 868 CB LYS A 59 5.107 7.534 -12.843 1.00 0.00 C ATOM 869 CG LYS A 59 6.241 7.484 -11.816 1.00 0.00 C ATOM 870 CD LYS A 59 6.872 8.872 -11.684 1.00 0.00 C ATOM 871 CE LYS A 59 7.150 9.167 -10.208 1.00 0.00 C ATOM 872 NZ LYS A 59 8.098 10.313 -10.101 1.00 0.00 N ATOM 0 H LYS A 59 2.025 7.152 -12.731 1.00 0.00 H new ATOM 0 HA LYS A 59 4.098 8.479 -11.192 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.903 6.533 -13.224 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.401 8.146 -13.696 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.857 7.154 -10.851 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.994 6.759 -12.125 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.799 8.918 -12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.204 9.628 -12.098 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.219 9.401 -9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.571 8.286 -9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.288 10.514 -9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.989 10.072 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.679 11.153 -10.550 1.00 0.00 H new ATOM 886 N THR A 60 2.993 10.372 -12.425 1.00 0.00 N ATOM 887 CA THR A 60 2.465 11.530 -13.202 1.00 0.00 C ATOM 888 C THR A 60 3.475 12.679 -13.163 1.00 0.00 C ATOM 889 O THR A 60 4.151 12.892 -12.177 1.00 0.00 O ATOM 890 CB THR A 60 1.142 11.995 -12.589 1.00 0.00 C ATOM 891 OG1 THR A 60 1.364 12.406 -11.247 1.00 0.00 O ATOM 892 CG2 THR A 60 0.130 10.848 -12.615 1.00 0.00 C ATOM 0 H THR A 60 3.071 10.523 -11.419 1.00 0.00 H new ATOM 0 HA THR A 60 2.302 11.226 -14.236 1.00 0.00 H new ATOM 0 HB THR A 60 0.749 12.832 -13.166 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.093 11.689 -10.636 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.811 11.183 -12.178 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.040 10.536 -13.645 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.518 10.007 -12.040 1.00 0.00 H new ATOM 900 N TYR A 61 3.579 13.424 -14.230 1.00 0.00 N ATOM 901 CA TYR A 61 4.540 14.562 -14.255 1.00 0.00 C ATOM 902 C TYR A 61 4.060 15.611 -15.259 1.00 0.00 C ATOM 903 O TYR A 61 4.108 15.406 -16.456 1.00 0.00 O ATOM 904 CB TYR A 61 5.924 14.055 -14.668 1.00 0.00 C ATOM 905 CG TYR A 61 6.984 14.953 -14.074 1.00 0.00 C ATOM 906 CD1 TYR A 61 7.267 16.189 -14.668 1.00 0.00 C ATOM 907 CD2 TYR A 61 7.683 14.550 -12.929 1.00 0.00 C ATOM 908 CE1 TYR A 61 8.249 17.022 -14.117 1.00 0.00 C ATOM 909 CE2 TYR A 61 8.664 15.383 -12.379 1.00 0.00 C ATOM 910 CZ TYR A 61 8.947 16.620 -12.973 1.00 0.00 C ATOM 911 OH TYR A 61 9.914 17.441 -12.430 1.00 0.00 O ATOM 0 H TYR A 61 3.039 13.293 -15.086 1.00 0.00 H new ATOM 0 HA TYR A 61 4.600 15.009 -13.262 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.066 13.030 -14.325 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.010 14.042 -15.755 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.728 16.500 -15.551 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.465 13.597 -12.471 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.468 17.975 -14.575 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.203 15.072 -11.496 1.00 0.00 H new ATOM 0 HH TYR A 61 10.301 17.012 -11.638 1.00 0.00 H new ATOM 921 N GLY A 62 3.598 16.734 -14.782 1.00 0.00 N ATOM 922 CA GLY A 62 3.113 17.795 -15.709 1.00 0.00 C ATOM 923 C GLY A 62 2.231 18.781 -14.941 1.00 0.00 C ATOM 924 O GLY A 62 2.499 19.965 -14.896 1.00 0.00 O ATOM 0 H GLY A 62 3.535 16.963 -13.790 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.959 18.318 -16.154 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.549 17.347 -16.527 1.00 0.00 H new ATOM 928 N CYS A 63 1.178 18.302 -14.337 1.00 0.00 N ATOM 929 CA CYS A 63 0.278 19.212 -13.572 1.00 0.00 C ATOM 930 C CYS A 63 0.482 18.985 -12.073 1.00 0.00 C ATOM 931 O CYS A 63 0.569 17.865 -11.611 1.00 0.00 O ATOM 932 CB CYS A 63 -1.177 18.920 -13.941 1.00 0.00 C ATOM 933 SG CYS A 63 -2.257 20.132 -13.140 1.00 0.00 S ATOM 0 H CYS A 63 0.902 17.320 -14.340 1.00 0.00 H new ATOM 0 HA CYS A 63 0.512 20.248 -13.818 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.305 18.962 -15.023 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.448 17.912 -13.627 1.00 0.00 H new ATOM 0 HG CYS A 63 -3.494 19.886 -13.455 1.00 0.00 H new ATOM 939 N GLY A 64 0.565 20.041 -11.308 1.00 0.00 N ATOM 940 CA GLY A 64 0.768 19.884 -9.841 1.00 0.00 C ATOM 941 C GLY A 64 -0.579 19.642 -9.154 1.00 0.00 C ATOM 942 O GLY A 64 -0.829 20.131 -8.070 1.00 0.00 O ATOM 0 H GLY A 64 0.501 21.004 -11.637 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.442 19.050 -9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.240 20.778 -9.432 1.00 0.00 H new ATOM 946 N SER A 65 -1.448 18.891 -9.773 1.00 0.00 N ATOM 947 CA SER A 65 -2.774 18.620 -9.150 1.00 0.00 C ATOM 948 C SER A 65 -3.483 17.503 -9.921 1.00 0.00 C ATOM 949 O SER A 65 -4.687 17.356 -9.851 1.00 0.00 O ATOM 950 CB SER A 65 -3.627 19.888 -9.191 1.00 0.00 C ATOM 951 OG SER A 65 -3.476 20.595 -7.967 1.00 0.00 O ATOM 0 H SER A 65 -1.297 18.454 -10.682 1.00 0.00 H new ATOM 0 HA SER A 65 -2.631 18.312 -8.114 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.324 20.517 -10.028 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.674 19.631 -9.349 1.00 0.00 H new ATOM 0 HG SER A 65 -2.533 20.590 -7.700 1.00 0.00 H new ATOM 957 N ALA A 66 -2.746 16.716 -10.655 1.00 0.00 N ATOM 958 CA ALA A 66 -3.379 15.610 -11.427 1.00 0.00 C ATOM 959 C ALA A 66 -3.344 14.324 -10.599 1.00 0.00 C ATOM 960 O ALA A 66 -4.198 13.470 -10.724 1.00 0.00 O ATOM 961 CB ALA A 66 -2.612 15.397 -12.734 1.00 0.00 C ATOM 0 H ALA A 66 -1.734 16.791 -10.754 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.414 15.869 -11.651 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.074 14.588 -13.300 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.637 16.313 -13.324 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.577 15.138 -12.510 1.00 0.00 H new ATOM 967 N ILE A 67 -2.361 14.180 -9.752 1.00 0.00 N ATOM 968 CA ILE A 67 -2.271 12.948 -8.917 1.00 0.00 C ATOM 969 C ILE A 67 -3.660 12.590 -8.382 1.00 0.00 C ATOM 970 O ILE A 67 -3.953 11.443 -8.109 1.00 0.00 O ATOM 971 CB ILE A 67 -1.321 13.198 -7.742 1.00 0.00 C ATOM 972 CG1 ILE A 67 -0.628 14.550 -7.925 1.00 0.00 C ATOM 973 CG2 ILE A 67 -0.269 12.089 -7.691 1.00 0.00 C ATOM 974 CD1 ILE A 67 0.203 14.529 -9.209 1.00 0.00 C ATOM 0 H ILE A 67 -1.617 14.861 -9.602 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.893 12.125 -9.523 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.888 13.203 -6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.370 15.347 -7.973 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.012 14.761 -7.068 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.407 12.267 -6.855 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.762 11.126 -7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.299 12.083 -8.622 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.696 15.492 -9.339 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.955 13.742 -9.143 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.449 14.337 -10.061 1.00 0.00 H new ATOM 986 N ALA A 68 -4.514 13.563 -8.228 1.00 0.00 N ATOM 987 CA ALA A 68 -5.882 13.281 -7.708 1.00 0.00 C ATOM 988 C ALA A 68 -6.476 12.077 -8.444 1.00 0.00 C ATOM 989 O ALA A 68 -6.849 11.091 -7.840 1.00 0.00 O ATOM 990 CB ALA A 68 -6.775 14.502 -7.931 1.00 0.00 C ATOM 0 H ALA A 68 -4.324 14.543 -8.440 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.823 13.061 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.775 14.295 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.357 15.360 -7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.831 14.722 -8.997 1.00 0.00 H new ATOM 996 N SER A 69 -6.571 12.150 -9.743 1.00 0.00 N ATOM 997 CA SER A 69 -7.146 11.011 -10.514 1.00 0.00 C ATOM 998 C SER A 69 -6.151 9.849 -10.537 1.00 0.00 C ATOM 999 O SER A 69 -6.494 8.720 -10.249 1.00 0.00 O ATOM 1000 CB SER A 69 -7.436 11.461 -11.946 1.00 0.00 C ATOM 1001 OG SER A 69 -6.765 12.688 -12.198 1.00 0.00 O ATOM 0 H SER A 69 -6.275 12.949 -10.304 1.00 0.00 H new ATOM 0 HA SER A 69 -8.071 10.684 -10.039 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.104 10.700 -12.653 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.509 11.584 -12.090 1.00 0.00 H new ATOM 0 HG SER A 69 -6.948 12.978 -13.116 1.00 0.00 H new ATOM 1007 N SER A 70 -4.922 10.116 -10.883 1.00 0.00 N ATOM 1008 CA SER A 70 -3.907 9.025 -10.929 1.00 0.00 C ATOM 1009 C SER A 70 -3.964 8.206 -9.636 1.00 0.00 C ATOM 1010 O SER A 70 -3.877 6.994 -9.655 1.00 0.00 O ATOM 1011 CB SER A 70 -2.513 9.637 -11.086 1.00 0.00 C ATOM 1012 OG SER A 70 -1.955 9.225 -12.326 1.00 0.00 O ATOM 0 H SER A 70 -4.576 11.042 -11.136 1.00 0.00 H new ATOM 0 HA SER A 70 -4.118 8.371 -11.775 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.574 10.725 -11.045 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.871 9.323 -10.263 1.00 0.00 H new ATOM 0 HG SER A 70 -1.139 8.707 -12.162 1.00 0.00 H new ATOM 1018 N SER A 71 -4.106 8.857 -8.514 1.00 0.00 N ATOM 1019 CA SER A 71 -4.162 8.113 -7.223 1.00 0.00 C ATOM 1020 C SER A 71 -5.455 7.296 -7.152 1.00 0.00 C ATOM 1021 O SER A 71 -5.451 6.142 -6.771 1.00 0.00 O ATOM 1022 CB SER A 71 -4.125 9.107 -6.062 1.00 0.00 C ATOM 1023 OG SER A 71 -2.799 9.195 -5.561 1.00 0.00 O ATOM 0 H SER A 71 -4.186 9.871 -8.435 1.00 0.00 H new ATOM 0 HA SER A 71 -3.307 7.440 -7.157 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.465 10.087 -6.396 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.804 8.786 -5.272 1.00 0.00 H new ATOM 0 HG SER A 71 -2.772 9.833 -4.818 1.00 0.00 H new ATOM 1029 N LEU A 72 -6.560 7.887 -7.511 1.00 0.00 N ATOM 1030 CA LEU A 72 -7.852 7.146 -7.460 1.00 0.00 C ATOM 1031 C LEU A 72 -7.756 5.880 -8.315 1.00 0.00 C ATOM 1032 O LEU A 72 -7.717 4.777 -7.807 1.00 0.00 O ATOM 1033 CB LEU A 72 -8.970 8.041 -7.999 1.00 0.00 C ATOM 1034 CG LEU A 72 -10.293 7.274 -7.980 1.00 0.00 C ATOM 1035 CD1 LEU A 72 -10.736 7.056 -6.532 1.00 0.00 C ATOM 1036 CD2 LEU A 72 -11.359 8.084 -8.723 1.00 0.00 C ATOM 0 H LEU A 72 -6.625 8.851 -7.838 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.069 6.868 -6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.052 8.943 -7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.737 8.360 -9.015 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.162 6.308 -8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.679 6.509 -6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.976 6.482 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.869 8.021 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.303 7.540 -8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.490 9.049 -8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.044 8.241 -9.754 1.00 0.00 H new ATOM 1048 N ILE A 73 -7.723 6.031 -9.610 1.00 0.00 N ATOM 1049 CA ILE A 73 -7.635 4.841 -10.504 1.00 0.00 C ATOM 1050 C ILE A 73 -6.660 3.817 -9.916 1.00 0.00 C ATOM 1051 O ILE A 73 -6.931 2.633 -9.887 1.00 0.00 O ATOM 1052 CB ILE A 73 -7.139 5.277 -11.883 1.00 0.00 C ATOM 1053 CG1 ILE A 73 -7.014 4.051 -12.791 1.00 0.00 C ATOM 1054 CG2 ILE A 73 -5.772 5.948 -11.744 1.00 0.00 C ATOM 1055 CD1 ILE A 73 -7.074 4.492 -14.255 1.00 0.00 C ATOM 0 H ILE A 73 -7.753 6.931 -10.090 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.622 4.387 -10.593 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.848 5.982 -12.318 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.075 3.534 -12.594 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.817 3.345 -12.580 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.418 6.259 -12.727 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.859 6.821 -11.097 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.063 5.243 -11.309 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.985 3.619 -14.902 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.025 4.990 -14.446 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.255 5.181 -14.461 1.00 0.00 H new ATOM 1067 N THR A 74 -5.524 4.262 -9.454 1.00 0.00 N ATOM 1068 CA THR A 74 -4.530 3.314 -8.876 1.00 0.00 C ATOM 1069 C THR A 74 -5.153 2.568 -7.694 1.00 0.00 C ATOM 1070 O THR A 74 -4.897 1.399 -7.483 1.00 0.00 O ATOM 1071 CB THR A 74 -3.302 4.093 -8.401 1.00 0.00 C ATOM 1072 OG1 THR A 74 -3.709 5.362 -7.908 1.00 0.00 O ATOM 1073 CG2 THR A 74 -2.333 4.284 -9.569 1.00 0.00 C ATOM 0 H THR A 74 -5.241 5.242 -9.452 1.00 0.00 H new ATOM 0 HA THR A 74 -4.233 2.593 -9.638 1.00 0.00 H new ATOM 0 HB THR A 74 -2.804 3.537 -7.606 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.417 5.242 -7.241 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.459 4.839 -9.229 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.021 3.310 -9.946 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.828 4.839 -10.366 1.00 0.00 H new ATOM 1081 N GLU A 75 -5.967 3.232 -6.919 1.00 0.00 N ATOM 1082 CA GLU A 75 -6.601 2.556 -5.751 1.00 0.00 C ATOM 1083 C GLU A 75 -7.659 1.566 -6.243 1.00 0.00 C ATOM 1084 O GLU A 75 -7.624 0.395 -5.922 1.00 0.00 O ATOM 1085 CB GLU A 75 -7.262 3.604 -4.852 1.00 0.00 C ATOM 1086 CG GLU A 75 -7.742 2.939 -3.560 1.00 0.00 C ATOM 1087 CD GLU A 75 -7.957 4.007 -2.485 1.00 0.00 C ATOM 1088 OE1 GLU A 75 -6.993 4.666 -2.132 1.00 0.00 O ATOM 1089 OE2 GLU A 75 -9.082 4.146 -2.035 1.00 0.00 O ATOM 0 H GLU A 75 -6.220 4.212 -7.044 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.839 2.020 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.554 4.400 -4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.103 4.065 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.671 2.398 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.008 2.208 -3.220 1.00 0.00 H new ATOM 1096 N TRP A 76 -8.604 2.028 -7.016 1.00 0.00 N ATOM 1097 CA TRP A 76 -9.665 1.111 -7.524 1.00 0.00 C ATOM 1098 C TRP A 76 -9.019 -0.114 -8.173 1.00 0.00 C ATOM 1099 O TRP A 76 -9.561 -1.202 -8.143 1.00 0.00 O ATOM 1100 CB TRP A 76 -10.524 1.847 -8.559 1.00 0.00 C ATOM 1101 CG TRP A 76 -11.940 1.915 -8.083 1.00 0.00 C ATOM 1102 CD1 TRP A 76 -12.360 2.590 -6.989 1.00 0.00 C ATOM 1103 CD2 TRP A 76 -13.127 1.299 -8.664 1.00 0.00 C ATOM 1104 NE1 TRP A 76 -13.727 2.428 -6.861 1.00 0.00 N ATOM 1105 CE2 TRP A 76 -14.246 1.641 -7.870 1.00 0.00 C ATOM 1106 CE3 TRP A 76 -13.338 0.485 -9.792 1.00 0.00 C ATOM 1107 CZ2 TRP A 76 -15.530 1.192 -8.182 1.00 0.00 C ATOM 1108 CZ3 TRP A 76 -14.629 0.031 -10.110 1.00 0.00 C ATOM 1109 CH2 TRP A 76 -15.722 0.384 -9.306 1.00 0.00 C ATOM 0 H TRP A 76 -8.688 2.999 -7.317 1.00 0.00 H new ATOM 0 HA TRP A 76 -10.293 0.789 -6.693 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -10.135 2.853 -8.719 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.477 1.331 -9.518 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -11.730 3.162 -6.324 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -14.284 2.840 -6.112 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -12.502 0.207 -10.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -16.369 1.467 -7.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -14.780 -0.593 -10.978 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -16.712 0.032 -9.555 1.00 0.00 H new ATOM 1120 N VAL A 77 -7.866 0.048 -8.762 1.00 0.00 N ATOM 1121 CA VAL A 77 -7.195 -1.112 -9.413 1.00 0.00 C ATOM 1122 C VAL A 77 -6.022 -1.581 -8.549 1.00 0.00 C ATOM 1123 O VAL A 77 -4.879 -1.534 -8.958 1.00 0.00 O ATOM 1124 CB VAL A 77 -6.680 -0.699 -10.794 1.00 0.00 C ATOM 1125 CG1 VAL A 77 -7.786 0.039 -11.552 1.00 0.00 C ATOM 1126 CG2 VAL A 77 -5.470 0.224 -10.634 1.00 0.00 C ATOM 0 H VAL A 77 -7.360 0.932 -8.820 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.911 -1.926 -9.522 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.387 -1.588 -11.352 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.419 0.333 -12.535 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.648 -0.618 -11.668 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.079 0.928 -10.993 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.104 0.518 -11.618 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.762 1.113 -10.075 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.681 -0.300 -10.095 1.00 0.00 H new ATOM 1136 N LYS A 78 -6.296 -2.038 -7.358 1.00 0.00 N ATOM 1137 CA LYS A 78 -5.198 -2.516 -6.471 1.00 0.00 C ATOM 1138 C LYS A 78 -5.692 -3.707 -5.648 1.00 0.00 C ATOM 1139 O LYS A 78 -6.307 -3.545 -4.613 1.00 0.00 O ATOM 1140 CB LYS A 78 -4.765 -1.389 -5.531 1.00 0.00 C ATOM 1141 CG LYS A 78 -3.338 -1.656 -5.046 1.00 0.00 C ATOM 1142 CD LYS A 78 -3.033 -0.773 -3.835 1.00 0.00 C ATOM 1143 CE LYS A 78 -1.617 -1.071 -3.335 1.00 0.00 C ATOM 1144 NZ LYS A 78 -1.334 -0.254 -2.120 1.00 0.00 N ATOM 0 H LYS A 78 -7.233 -2.101 -6.961 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.348 -2.821 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.813 -0.430 -6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.445 -1.327 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.224 -2.707 -4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.627 -1.451 -5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.121 0.279 -4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.758 -0.960 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.518 -2.132 -3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.890 -0.845 -4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.372 -0.457 -1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.412 0.756 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.020 -0.490 -1.375 1.00 0.00 H new ATOM 1158 N GLY A 79 -5.432 -4.901 -6.102 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.892 -6.103 -5.350 1.00 0.00 C ATOM 1160 C GLY A 79 -7.034 -6.771 -6.115 1.00 0.00 C ATOM 1161 O GLY A 79 -7.387 -7.905 -5.859 1.00 0.00 O ATOM 0 H GLY A 79 -4.920 -5.097 -6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.067 -6.803 -5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.226 -5.817 -4.353 1.00 0.00 H new ATOM 1165 N LYS A 80 -7.614 -6.076 -7.055 1.00 0.00 N ATOM 1166 CA LYS A 80 -8.732 -6.667 -7.841 1.00 0.00 C ATOM 1167 C LYS A 80 -8.164 -7.658 -8.859 1.00 0.00 C ATOM 1168 O LYS A 80 -7.057 -8.137 -8.722 1.00 0.00 O ATOM 1169 CB LYS A 80 -9.486 -5.555 -8.573 1.00 0.00 C ATOM 1170 CG LYS A 80 -9.892 -4.470 -7.573 1.00 0.00 C ATOM 1171 CD LYS A 80 -11.321 -4.729 -7.089 1.00 0.00 C ATOM 1172 CE LYS A 80 -11.574 -3.943 -5.801 1.00 0.00 C ATOM 1173 NZ LYS A 80 -12.988 -4.137 -5.370 1.00 0.00 N ATOM 0 H LYS A 80 -7.361 -5.122 -7.313 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.417 -7.185 -7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.857 -5.128 -9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.370 -5.962 -9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.205 -4.466 -6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.828 -3.487 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.036 -4.431 -7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.469 -5.794 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.895 -4.279 -5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.374 -2.884 -5.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.160 -3.603 -4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.628 -3.796 -6.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.163 -5.148 -5.199 1.00 0.00 H new ATOM 1187 N SER A 81 -8.915 -7.969 -9.880 1.00 0.00 N ATOM 1188 CA SER A 81 -8.417 -8.930 -10.905 1.00 0.00 C ATOM 1189 C SER A 81 -8.325 -8.228 -12.261 1.00 0.00 C ATOM 1190 O SER A 81 -8.959 -7.218 -12.493 1.00 0.00 O ATOM 1191 CB SER A 81 -9.384 -10.109 -11.007 1.00 0.00 C ATOM 1192 OG SER A 81 -9.048 -10.896 -12.142 1.00 0.00 O ATOM 0 H SER A 81 -9.851 -7.600 -10.049 1.00 0.00 H new ATOM 0 HA SER A 81 -7.430 -9.291 -10.616 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.333 -10.715 -10.102 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.409 -9.747 -11.092 1.00 0.00 H new ATOM 0 HG SER A 81 -9.666 -11.654 -12.209 1.00 0.00 H new ATOM 1198 N LEU A 82 -7.539 -8.756 -13.160 1.00 0.00 N ATOM 1199 CA LEU A 82 -7.411 -8.118 -14.500 1.00 0.00 C ATOM 1200 C LEU A 82 -8.794 -8.017 -15.147 1.00 0.00 C ATOM 1201 O LEU A 82 -9.009 -7.245 -16.059 1.00 0.00 O ATOM 1202 CB LEU A 82 -6.493 -8.970 -15.383 1.00 0.00 C ATOM 1203 CG LEU A 82 -5.040 -8.541 -15.170 1.00 0.00 C ATOM 1204 CD1 LEU A 82 -4.110 -9.523 -15.884 1.00 0.00 C ATOM 1205 CD2 LEU A 82 -4.834 -7.138 -15.742 1.00 0.00 C ATOM 0 H LEU A 82 -6.982 -9.599 -13.024 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.986 -7.120 -14.392 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.612 -10.025 -15.138 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.768 -8.853 -16.431 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.815 -8.536 -14.104 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.074 -9.219 -15.733 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.257 -10.524 -15.478 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.335 -9.527 -16.950 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.799 -6.832 -15.591 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.058 -7.143 -16.809 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.498 -6.437 -15.235 1.00 0.00 H new ATOM 1217 N GLU A 83 -9.732 -8.792 -14.677 1.00 0.00 N ATOM 1218 CA GLU A 83 -11.103 -8.742 -15.258 1.00 0.00 C ATOM 1219 C GLU A 83 -11.747 -7.395 -14.924 1.00 0.00 C ATOM 1220 O GLU A 83 -12.552 -6.878 -15.673 1.00 0.00 O ATOM 1221 CB GLU A 83 -11.948 -9.871 -14.663 1.00 0.00 C ATOM 1222 CG GLU A 83 -13.286 -9.953 -15.400 1.00 0.00 C ATOM 1223 CD GLU A 83 -14.037 -11.210 -14.955 1.00 0.00 C ATOM 1224 OE1 GLU A 83 -13.419 -12.055 -14.329 1.00 0.00 O ATOM 1225 OE2 GLU A 83 -15.218 -11.304 -15.247 1.00 0.00 O ATOM 0 H GLU A 83 -9.608 -9.458 -13.915 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.046 -8.861 -16.340 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.417 -10.819 -14.746 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.117 -9.692 -13.601 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.884 -9.066 -15.190 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.119 -9.978 -16.477 1.00 0.00 H new ATOM 1232 N GLU A 84 -11.398 -6.822 -13.805 1.00 0.00 N ATOM 1233 CA GLU A 84 -11.988 -5.510 -13.422 1.00 0.00 C ATOM 1234 C GLU A 84 -11.171 -4.377 -14.048 1.00 0.00 C ATOM 1235 O GLU A 84 -11.713 -3.443 -14.606 1.00 0.00 O ATOM 1236 CB GLU A 84 -11.969 -5.369 -11.898 1.00 0.00 C ATOM 1237 CG GLU A 84 -12.640 -4.054 -11.498 1.00 0.00 C ATOM 1238 CD GLU A 84 -14.154 -4.258 -11.412 1.00 0.00 C ATOM 1239 OE1 GLU A 84 -14.771 -4.402 -12.455 1.00 0.00 O ATOM 1240 OE2 GLU A 84 -14.669 -4.267 -10.307 1.00 0.00 O ATOM 0 H GLU A 84 -10.728 -7.207 -13.139 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.016 -5.457 -13.781 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.489 -6.209 -11.438 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.942 -5.391 -11.533 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.253 -3.714 -10.537 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.408 -3.278 -12.228 1.00 0.00 H new ATOM 1247 N ALA A 85 -9.871 -4.450 -13.959 1.00 0.00 N ATOM 1248 CA ALA A 85 -9.022 -3.376 -14.549 1.00 0.00 C ATOM 1249 C ALA A 85 -9.069 -3.468 -16.076 1.00 0.00 C ATOM 1250 O ALA A 85 -8.627 -2.578 -16.775 1.00 0.00 O ATOM 1251 CB ALA A 85 -7.577 -3.548 -14.075 1.00 0.00 C ATOM 0 H ALA A 85 -9.360 -5.206 -13.504 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.397 -2.403 -14.231 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.957 -2.763 -14.507 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.541 -3.483 -12.988 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.203 -4.521 -14.393 1.00 0.00 H new ATOM 1257 N GLY A 86 -9.604 -4.537 -16.598 1.00 0.00 N ATOM 1258 CA GLY A 86 -9.681 -4.686 -18.079 1.00 0.00 C ATOM 1259 C GLY A 86 -11.146 -4.685 -18.516 1.00 0.00 C ATOM 1260 O GLY A 86 -11.572 -5.511 -19.297 1.00 0.00 O ATOM 0 H GLY A 86 -9.991 -5.314 -16.063 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.145 -3.871 -18.566 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.199 -5.614 -18.387 1.00 0.00 H new ATOM 1264 N ALA A 87 -11.920 -3.761 -18.016 1.00 0.00 N ATOM 1265 CA ALA A 87 -13.358 -3.700 -18.400 1.00 0.00 C ATOM 1266 C ALA A 87 -13.946 -2.377 -17.911 1.00 0.00 C ATOM 1267 O ALA A 87 -14.818 -1.803 -18.532 1.00 0.00 O ATOM 1268 CB ALA A 87 -14.112 -4.864 -17.752 1.00 0.00 C ATOM 0 H ALA A 87 -11.617 -3.044 -17.357 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.453 -3.770 -19.484 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -15.164 -4.818 -18.034 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.686 -5.808 -18.092 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -14.024 -4.796 -16.668 1.00 0.00 H new ATOM 1274 N ILE A 88 -13.468 -1.890 -16.799 1.00 0.00 N ATOM 1275 CA ILE A 88 -13.987 -0.603 -16.260 1.00 0.00 C ATOM 1276 C ILE A 88 -13.971 0.457 -17.361 1.00 0.00 C ATOM 1277 O ILE A 88 -13.566 0.201 -18.478 1.00 0.00 O ATOM 1278 CB ILE A 88 -13.097 -0.149 -15.103 1.00 0.00 C ATOM 1279 CG1 ILE A 88 -11.628 -0.240 -15.529 1.00 0.00 C ATOM 1280 CG2 ILE A 88 -13.334 -1.049 -13.888 1.00 0.00 C ATOM 1281 CD1 ILE A 88 -10.745 0.414 -14.464 1.00 0.00 C ATOM 0 H ILE A 88 -12.738 -2.330 -16.239 1.00 0.00 H new ATOM 0 HA ILE A 88 -15.009 -0.740 -15.907 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.339 0.881 -14.840 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.341 -1.283 -15.663 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.486 0.256 -16.489 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.698 -0.723 -13.065 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.380 -0.985 -13.587 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.093 -2.080 -14.146 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.700 0.349 -14.768 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.026 1.461 -14.352 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.879 -0.102 -13.513 1.00 0.00 H new ATOM 1293 N LYS A 89 -14.407 1.647 -17.054 1.00 0.00 N ATOM 1294 CA LYS A 89 -14.417 2.729 -18.077 1.00 0.00 C ATOM 1295 C LYS A 89 -14.074 4.059 -17.408 1.00 0.00 C ATOM 1296 O LYS A 89 -13.851 4.125 -16.215 1.00 0.00 O ATOM 1297 CB LYS A 89 -15.809 2.827 -18.705 1.00 0.00 C ATOM 1298 CG LYS A 89 -15.939 1.801 -19.832 1.00 0.00 C ATOM 1299 CD LYS A 89 -17.335 1.177 -19.794 1.00 0.00 C ATOM 1300 CE LYS A 89 -17.437 0.093 -20.868 1.00 0.00 C ATOM 1301 NZ LYS A 89 -17.573 0.735 -22.205 1.00 0.00 N ATOM 0 H LYS A 89 -14.758 1.917 -16.135 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.683 2.504 -18.850 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.573 2.649 -17.948 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -15.973 3.832 -19.094 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.769 2.280 -20.796 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.180 1.027 -19.723 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.527 0.749 -18.810 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.092 1.943 -19.962 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.551 -0.542 -20.845 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.295 -0.550 -20.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.778 0.008 -22.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.350 1.426 -22.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.686 1.220 -22.449 1.00 0.00 H new ATOM 1315 N ASN A 90 -14.037 5.122 -18.161 1.00 0.00 N ATOM 1316 CA ASN A 90 -13.716 6.444 -17.560 1.00 0.00 C ATOM 1317 C ASN A 90 -15.018 7.183 -17.246 1.00 0.00 C ATOM 1318 O ASN A 90 -15.028 8.168 -16.536 1.00 0.00 O ATOM 1319 CB ASN A 90 -12.885 7.268 -18.544 1.00 0.00 C ATOM 1320 CG ASN A 90 -13.688 7.500 -19.825 1.00 0.00 C ATOM 1321 OD1 ASN A 90 -14.668 6.826 -20.070 1.00 0.00 O ATOM 1322 ND2 ASN A 90 -13.310 8.431 -20.657 1.00 0.00 N ATOM 0 H ASN A 90 -14.215 5.132 -19.165 1.00 0.00 H new ATOM 0 HA ASN A 90 -13.146 6.299 -16.642 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -12.613 8.223 -18.095 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -11.955 6.748 -18.775 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.838 8.594 -21.515 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -12.487 8.996 -20.450 1.00 0.00 H new ATOM 1329 N SER A 91 -16.117 6.709 -17.767 1.00 0.00 N ATOM 1330 CA SER A 91 -17.419 7.379 -17.497 1.00 0.00 C ATOM 1331 C SER A 91 -17.818 7.138 -16.041 1.00 0.00 C ATOM 1332 O SER A 91 -18.288 8.028 -15.360 1.00 0.00 O ATOM 1333 CB SER A 91 -18.493 6.805 -18.422 1.00 0.00 C ATOM 1334 OG SER A 91 -19.554 7.743 -18.547 1.00 0.00 O ATOM 0 H SER A 91 -16.169 5.886 -18.368 1.00 0.00 H new ATOM 0 HA SER A 91 -17.322 8.450 -17.678 1.00 0.00 H new ATOM 0 HB2 SER A 91 -18.067 6.587 -19.402 1.00 0.00 H new ATOM 0 HB3 SER A 91 -18.869 5.864 -18.021 1.00 0.00 H new ATOM 0 HG SER A 91 -20.244 7.379 -19.141 1.00 0.00 H new ATOM 1340 N GLN A 92 -17.631 5.941 -15.554 1.00 0.00 N ATOM 1341 CA GLN A 92 -17.995 5.648 -14.140 1.00 0.00 C ATOM 1342 C GLN A 92 -17.087 6.452 -13.210 1.00 0.00 C ATOM 1343 O GLN A 92 -17.546 7.158 -12.333 1.00 0.00 O ATOM 1344 CB GLN A 92 -17.815 4.153 -13.865 1.00 0.00 C ATOM 1345 CG GLN A 92 -19.146 3.429 -14.081 1.00 0.00 C ATOM 1346 CD GLN A 92 -19.638 3.676 -15.508 1.00 0.00 C ATOM 1347 OE1 GLN A 92 -20.578 4.418 -15.718 1.00 0.00 O ATOM 1348 NE2 GLN A 92 -19.043 3.082 -16.505 1.00 0.00 N ATOM 0 H GLN A 92 -17.242 5.155 -16.074 1.00 0.00 H new ATOM 0 HA GLN A 92 -19.035 5.924 -13.965 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -17.053 3.740 -14.526 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -17.467 4.000 -12.843 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -19.022 2.360 -13.908 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -19.886 3.785 -13.364 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -18.254 2.459 -16.330 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -19.366 3.240 -17.459 1.00 0.00 H new ATOM 1357 N ILE A 93 -15.798 6.357 -13.396 1.00 0.00 N ATOM 1358 CA ILE A 93 -14.862 7.122 -12.526 1.00 0.00 C ATOM 1359 C ILE A 93 -15.184 8.613 -12.629 1.00 0.00 C ATOM 1360 O ILE A 93 -14.937 9.378 -11.718 1.00 0.00 O ATOM 1361 CB ILE A 93 -13.422 6.874 -12.983 1.00 0.00 C ATOM 1362 CG1 ILE A 93 -12.882 5.614 -12.302 1.00 0.00 C ATOM 1363 CG2 ILE A 93 -12.547 8.070 -12.600 1.00 0.00 C ATOM 1364 CD1 ILE A 93 -11.477 5.311 -12.829 1.00 0.00 C ATOM 0 H ILE A 93 -15.354 5.783 -14.113 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.972 6.796 -11.492 1.00 0.00 H new ATOM 0 HB ILE A 93 -13.404 6.743 -14.065 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -12.854 5.755 -11.222 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.545 4.770 -12.496 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -11.523 7.891 -12.926 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -12.929 8.970 -13.082 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -12.565 8.202 -11.518 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -11.092 4.414 -12.344 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -11.519 5.152 -13.906 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -10.818 6.152 -12.612 1.00 0.00 H new ATOM 1376 N ALA A 94 -15.737 9.033 -13.735 1.00 0.00 N ATOM 1377 CA ALA A 94 -16.081 10.473 -13.899 1.00 0.00 C ATOM 1378 C ALA A 94 -17.229 10.830 -12.953 1.00 0.00 C ATOM 1379 O ALA A 94 -17.228 11.869 -12.325 1.00 0.00 O ATOM 1380 CB ALA A 94 -16.509 10.734 -15.345 1.00 0.00 C ATOM 0 H ALA A 94 -15.965 8.439 -14.532 1.00 0.00 H new ATOM 0 HA ALA A 94 -15.211 11.086 -13.663 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -16.761 11.788 -15.465 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -15.691 10.477 -16.018 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -17.380 10.123 -15.582 1.00 0.00 H new ATOM 1386 N GLU A 95 -18.207 9.974 -12.848 1.00 0.00 N ATOM 1387 CA GLU A 95 -19.354 10.261 -11.941 1.00 0.00 C ATOM 1388 C GLU A 95 -18.888 10.157 -10.488 1.00 0.00 C ATOM 1389 O GLU A 95 -19.491 10.710 -9.591 1.00 0.00 O ATOM 1390 CB GLU A 95 -20.471 9.247 -12.195 1.00 0.00 C ATOM 1391 CG GLU A 95 -21.650 9.944 -12.875 1.00 0.00 C ATOM 1392 CD GLU A 95 -22.186 11.049 -11.962 1.00 0.00 C ATOM 1393 OE1 GLU A 95 -22.696 10.722 -10.904 1.00 0.00 O ATOM 1394 OE2 GLU A 95 -22.075 12.206 -12.338 1.00 0.00 O ATOM 0 H GLU A 95 -18.262 9.088 -13.351 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.729 11.267 -12.132 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.104 8.435 -12.823 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -20.792 8.801 -11.254 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -21.335 10.367 -13.829 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -22.438 9.222 -13.091 1.00 0.00 H new ATOM 1401 N GLU A 96 -17.817 9.449 -10.250 1.00 0.00 N ATOM 1402 CA GLU A 96 -17.311 9.307 -8.856 1.00 0.00 C ATOM 1403 C GLU A 96 -16.582 10.587 -8.445 1.00 0.00 C ATOM 1404 O GLU A 96 -16.895 11.198 -7.442 1.00 0.00 O ATOM 1405 CB GLU A 96 -16.341 8.125 -8.783 1.00 0.00 C ATOM 1406 CG GLU A 96 -15.787 8.005 -7.362 1.00 0.00 C ATOM 1407 CD GLU A 96 -16.946 7.901 -6.368 1.00 0.00 C ATOM 1408 OE1 GLU A 96 -17.520 6.828 -6.268 1.00 0.00 O ATOM 1409 OE2 GLU A 96 -17.240 8.894 -5.725 1.00 0.00 O ATOM 0 H GLU A 96 -17.271 8.963 -10.961 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.150 9.133 -8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.852 7.204 -9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.525 8.266 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.147 7.126 -7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.169 8.872 -7.127 1.00 0.00 H new ATOM 1416 N LEU A 97 -15.610 10.998 -9.212 1.00 0.00 N ATOM 1417 CA LEU A 97 -14.860 12.238 -8.864 1.00 0.00 C ATOM 1418 C LEU A 97 -15.661 13.461 -9.315 1.00 0.00 C ATOM 1419 O LEU A 97 -15.274 14.589 -9.081 1.00 0.00 O ATOM 1420 CB LEU A 97 -13.502 12.227 -9.570 1.00 0.00 C ATOM 1421 CG LEU A 97 -12.513 13.094 -8.788 1.00 0.00 C ATOM 1422 CD1 LEU A 97 -11.884 12.265 -7.666 1.00 0.00 C ATOM 1423 CD2 LEU A 97 -11.415 13.589 -9.732 1.00 0.00 C ATOM 0 H LEU A 97 -15.303 10.529 -10.064 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.708 12.281 -7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.127 11.206 -9.644 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -13.606 12.603 -10.588 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.037 13.948 -8.359 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.179 12.882 -7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -12.665 11.910 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.359 11.412 -8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.709 14.207 -9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.891 12.735 -10.160 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -11.862 14.179 -10.532 1.00 0.00 H new ATOM 1435 N GLU A 98 -16.774 13.248 -9.961 1.00 0.00 N ATOM 1436 CA GLU A 98 -17.599 14.398 -10.427 1.00 0.00 C ATOM 1437 C GLU A 98 -16.677 15.539 -10.863 1.00 0.00 C ATOM 1438 O GLU A 98 -16.592 16.563 -10.216 1.00 0.00 O ATOM 1439 CB GLU A 98 -18.499 14.876 -9.287 1.00 0.00 C ATOM 1440 CG GLU A 98 -19.419 15.989 -9.793 1.00 0.00 C ATOM 1441 CD GLU A 98 -18.835 17.349 -9.405 1.00 0.00 C ATOM 1442 OE1 GLU A 98 -18.326 17.460 -8.302 1.00 0.00 O ATOM 1443 OE2 GLU A 98 -18.909 18.257 -10.217 1.00 0.00 O ATOM 0 H GLU A 98 -17.148 12.326 -10.187 1.00 0.00 H new ATOM 0 HA GLU A 98 -18.217 14.086 -11.269 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -19.092 14.045 -8.905 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -17.891 15.241 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.526 15.923 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.415 15.874 -9.366 1.00 0.00 H new ATOM 1450 N LEU A 99 -15.987 15.368 -11.958 1.00 0.00 N ATOM 1451 CA LEU A 99 -15.070 16.442 -12.435 1.00 0.00 C ATOM 1452 C LEU A 99 -15.781 17.281 -13.499 1.00 0.00 C ATOM 1453 O LEU A 99 -16.625 16.794 -14.225 1.00 0.00 O ATOM 1454 CB LEU A 99 -13.815 15.807 -13.040 1.00 0.00 C ATOM 1455 CG LEU A 99 -14.209 14.912 -14.219 1.00 0.00 C ATOM 1456 CD1 LEU A 99 -13.452 15.354 -15.473 1.00 0.00 C ATOM 1457 CD2 LEU A 99 -13.855 13.458 -13.897 1.00 0.00 C ATOM 0 H LEU A 99 -16.019 14.532 -12.542 1.00 0.00 H new ATOM 0 HA LEU A 99 -14.787 17.080 -11.598 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.127 16.584 -13.374 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -13.291 15.221 -12.285 1.00 0.00 H new ATOM 0 HG LEU A 99 -15.282 14.996 -14.394 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.733 14.717 -16.311 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.704 16.389 -15.704 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.379 15.272 -15.298 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -14.135 12.821 -14.736 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.783 13.375 -13.721 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.395 13.141 -13.005 1.00 0.00 H new ATOM 1469 N PRO A 100 -15.438 18.538 -13.588 1.00 0.00 N ATOM 1470 CA PRO A 100 -16.047 19.471 -14.578 1.00 0.00 C ATOM 1471 C PRO A 100 -15.596 19.167 -16.010 1.00 0.00 C ATOM 1472 O PRO A 100 -14.517 18.656 -16.233 1.00 0.00 O ATOM 1473 CB PRO A 100 -15.546 20.849 -14.140 1.00 0.00 C ATOM 1474 CG PRO A 100 -14.290 20.593 -13.373 1.00 0.00 C ATOM 1475 CD PRO A 100 -14.430 19.203 -12.750 1.00 0.00 C ATOM 0 HA PRO A 100 -17.134 19.391 -14.594 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -15.356 21.489 -15.001 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -16.286 21.357 -13.522 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -13.420 20.637 -14.029 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -14.147 21.350 -12.602 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -13.483 18.663 -12.761 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -14.751 19.262 -11.710 1.00 0.00 H new ATOM 1483 N PRO A 101 -16.424 19.480 -16.969 1.00 0.00 N ATOM 1484 CA PRO A 101 -16.120 19.240 -18.409 1.00 0.00 C ATOM 1485 C PRO A 101 -15.035 20.184 -18.937 1.00 0.00 C ATOM 1486 O PRO A 101 -14.901 20.385 -20.127 1.00 0.00 O ATOM 1487 CB PRO A 101 -17.450 19.506 -19.116 1.00 0.00 C ATOM 1488 CG PRO A 101 -18.216 20.406 -18.205 1.00 0.00 C ATOM 1489 CD PRO A 101 -17.745 20.100 -16.782 1.00 0.00 C ATOM 0 HA PRO A 101 -15.734 18.235 -18.577 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -17.291 19.975 -20.087 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -17.991 18.577 -19.295 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -18.037 21.452 -18.455 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -19.288 20.234 -18.303 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -17.679 21.006 -16.180 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -18.433 19.427 -16.270 1.00 0.00 H new ATOM 1497 N VAL A 102 -14.263 20.765 -18.060 1.00 0.00 N ATOM 1498 CA VAL A 102 -13.189 21.694 -18.514 1.00 0.00 C ATOM 1499 C VAL A 102 -11.857 20.944 -18.574 1.00 0.00 C ATOM 1500 O VAL A 102 -10.800 21.540 -18.622 1.00 0.00 O ATOM 1501 CB VAL A 102 -13.074 22.860 -17.530 1.00 0.00 C ATOM 1502 CG1 VAL A 102 -14.418 23.585 -17.437 1.00 0.00 C ATOM 1503 CG2 VAL A 102 -12.683 22.327 -16.148 1.00 0.00 C ATOM 0 H VAL A 102 -14.329 20.637 -17.050 1.00 0.00 H new ATOM 0 HA VAL A 102 -13.435 22.077 -19.504 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.311 23.555 -17.879 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -14.336 24.416 -16.736 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -14.695 23.966 -18.420 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -15.183 22.891 -17.089 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.601 23.158 -15.447 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.445 21.631 -15.798 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -11.724 21.813 -16.214 1.00 0.00 H new ATOM 1513 N LYS A 103 -11.901 19.640 -18.572 1.00 0.00 N ATOM 1514 CA LYS A 103 -10.637 18.850 -18.630 1.00 0.00 C ATOM 1515 C LYS A 103 -10.976 17.360 -18.703 1.00 0.00 C ATOM 1516 O LYS A 103 -10.410 16.548 -17.998 1.00 0.00 O ATOM 1517 CB LYS A 103 -9.806 19.124 -17.374 1.00 0.00 C ATOM 1518 CG LYS A 103 -8.339 18.789 -17.648 1.00 0.00 C ATOM 1519 CD LYS A 103 -7.615 18.544 -16.322 1.00 0.00 C ATOM 1520 CE LYS A 103 -6.107 18.464 -16.569 1.00 0.00 C ATOM 1521 NZ LYS A 103 -5.466 19.742 -16.147 1.00 0.00 N ATOM 0 H LYS A 103 -12.757 19.087 -18.533 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.065 19.138 -19.512 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.903 20.170 -17.082 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.177 18.526 -16.542 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.269 17.905 -18.282 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.863 19.607 -18.189 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.837 19.348 -15.621 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.969 17.619 -15.868 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.680 17.630 -16.012 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.910 18.277 -17.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.441 19.688 -16.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.866 20.529 -16.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.643 19.902 -15.135 1.00 0.00 H new ATOM 1535 N VAL A 104 -11.899 16.994 -19.551 1.00 0.00 N ATOM 1536 CA VAL A 104 -12.278 15.557 -19.670 1.00 0.00 C ATOM 1537 C VAL A 104 -11.097 14.758 -20.223 1.00 0.00 C ATOM 1538 O VAL A 104 -11.263 13.675 -20.748 1.00 0.00 O ATOM 1539 CB VAL A 104 -13.471 15.423 -20.618 1.00 0.00 C ATOM 1540 CG1 VAL A 104 -14.007 13.991 -20.566 1.00 0.00 C ATOM 1541 CG2 VAL A 104 -14.573 16.395 -20.189 1.00 0.00 C ATOM 0 H VAL A 104 -12.407 17.629 -20.167 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.547 15.171 -18.687 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.155 15.655 -21.635 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.857 13.896 -21.242 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.223 13.298 -20.870 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.324 13.758 -19.549 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.424 16.301 -20.864 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.888 16.162 -19.172 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.192 17.416 -20.225 1.00 0.00 H new ATOM 1551 N HIS A 105 -9.907 15.279 -20.109 1.00 0.00 N ATOM 1552 CA HIS A 105 -8.722 14.542 -20.631 1.00 0.00 C ATOM 1553 C HIS A 105 -8.213 13.573 -19.560 1.00 0.00 C ATOM 1554 O HIS A 105 -7.674 12.526 -19.861 1.00 0.00 O ATOM 1555 CB HIS A 105 -7.617 15.537 -20.991 1.00 0.00 C ATOM 1556 CG HIS A 105 -7.062 15.200 -22.348 1.00 0.00 C ATOM 1557 ND1 HIS A 105 -7.159 13.926 -22.891 1.00 0.00 N ATOM 1558 CD2 HIS A 105 -6.407 15.958 -23.287 1.00 0.00 C ATOM 1559 CE1 HIS A 105 -6.576 13.955 -24.103 1.00 0.00 C ATOM 1560 NE2 HIS A 105 -6.102 15.169 -24.390 1.00 0.00 N ATOM 0 H HIS A 105 -9.704 16.181 -19.678 1.00 0.00 H new ATOM 0 HA HIS A 105 -9.006 13.982 -21.522 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -8.013 16.553 -20.990 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -6.825 15.503 -20.243 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -6.166 17.006 -23.184 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -6.501 13.102 -24.762 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -5.618 15.457 -25.240 1.00 0.00 H new ATOM 1568 N CYS A 106 -8.383 13.911 -18.310 1.00 0.00 N ATOM 1569 CA CYS A 106 -7.911 13.007 -17.223 1.00 0.00 C ATOM 1570 C CYS A 106 -8.724 11.712 -17.254 1.00 0.00 C ATOM 1571 O CYS A 106 -8.188 10.627 -17.141 1.00 0.00 O ATOM 1572 CB CYS A 106 -8.101 13.695 -15.870 1.00 0.00 C ATOM 1573 SG CYS A 106 -9.735 14.472 -15.813 1.00 0.00 S ATOM 0 H CYS A 106 -8.828 14.773 -17.995 1.00 0.00 H new ATOM 0 HA CYS A 106 -6.855 12.780 -17.369 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.004 12.968 -15.063 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -7.324 14.445 -15.719 1.00 0.00 H new ATOM 0 HG CYS A 106 -9.783 15.446 -16.673 1.00 0.00 H new ATOM 1579 N SER A 107 -10.015 11.817 -17.405 1.00 0.00 N ATOM 1580 CA SER A 107 -10.866 10.596 -17.444 1.00 0.00 C ATOM 1581 C SER A 107 -10.421 9.697 -18.600 1.00 0.00 C ATOM 1582 O SER A 107 -10.271 8.501 -18.448 1.00 0.00 O ATOM 1583 CB SER A 107 -12.326 11.005 -17.645 1.00 0.00 C ATOM 1584 OG SER A 107 -13.029 10.849 -16.419 1.00 0.00 O ATOM 0 H SER A 107 -10.518 12.699 -17.503 1.00 0.00 H new ATOM 0 HA SER A 107 -10.765 10.051 -16.506 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.383 12.040 -17.981 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.784 10.392 -18.421 1.00 0.00 H new ATOM 0 HG SER A 107 -13.597 10.052 -16.467 1.00 0.00 H new ATOM 1590 N ILE A 108 -10.207 10.265 -19.757 1.00 0.00 N ATOM 1591 CA ILE A 108 -9.771 9.444 -20.923 1.00 0.00 C ATOM 1592 C ILE A 108 -8.352 8.927 -20.678 1.00 0.00 C ATOM 1593 O ILE A 108 -7.976 7.872 -21.148 1.00 0.00 O ATOM 1594 CB ILE A 108 -9.786 10.303 -22.188 1.00 0.00 C ATOM 1595 CG1 ILE A 108 -11.231 10.659 -22.547 1.00 0.00 C ATOM 1596 CG2 ILE A 108 -9.154 9.524 -23.342 1.00 0.00 C ATOM 1597 CD1 ILE A 108 -11.237 11.656 -23.709 1.00 0.00 C ATOM 0 H ILE A 108 -10.315 11.262 -19.945 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.451 8.602 -21.048 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.219 11.217 -22.012 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.781 9.759 -22.823 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -11.737 11.089 -21.682 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.165 10.137 -24.244 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.125 9.269 -23.089 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.721 8.610 -23.518 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -12.266 11.910 -23.965 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.702 12.560 -23.416 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.747 11.209 -24.574 1.00 0.00 H new ATOM 1609 N LEU A 109 -7.561 9.663 -19.948 1.00 0.00 N ATOM 1610 CA LEU A 109 -6.166 9.218 -19.675 1.00 0.00 C ATOM 1611 C LEU A 109 -6.183 8.062 -18.672 1.00 0.00 C ATOM 1612 O LEU A 109 -5.444 7.106 -18.799 1.00 0.00 O ATOM 1613 CB LEU A 109 -5.366 10.385 -19.093 1.00 0.00 C ATOM 1614 CG LEU A 109 -4.332 10.859 -20.115 1.00 0.00 C ATOM 1615 CD1 LEU A 109 -5.046 11.369 -21.367 1.00 0.00 C ATOM 1616 CD2 LEU A 109 -3.500 11.992 -19.508 1.00 0.00 C ATOM 0 H LEU A 109 -7.821 10.555 -19.528 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.703 8.884 -20.604 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -6.036 11.204 -18.832 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.868 10.075 -18.174 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.679 10.028 -20.383 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.308 11.707 -22.095 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.641 10.565 -21.800 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.699 12.200 -21.100 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.762 12.331 -20.235 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.155 12.822 -19.241 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.990 11.631 -18.615 1.00 0.00 H new ATOM 1628 N ALA A 110 -7.016 8.145 -17.672 1.00 0.00 N ATOM 1629 CA ALA A 110 -7.078 7.055 -16.657 1.00 0.00 C ATOM 1630 C ALA A 110 -7.460 5.736 -17.334 1.00 0.00 C ATOM 1631 O ALA A 110 -6.781 4.740 -17.197 1.00 0.00 O ATOM 1632 CB ALA A 110 -8.124 7.408 -15.596 1.00 0.00 C ATOM 0 H ALA A 110 -7.658 8.922 -17.513 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.101 6.945 -16.186 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.171 6.612 -14.853 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.847 8.343 -15.109 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.099 7.520 -16.070 1.00 0.00 H new ATOM 1638 N GLU A 111 -8.544 5.722 -18.059 1.00 0.00 N ATOM 1639 CA GLU A 111 -8.969 4.464 -18.737 1.00 0.00 C ATOM 1640 C GLU A 111 -7.962 4.102 -19.832 1.00 0.00 C ATOM 1641 O GLU A 111 -7.397 3.027 -19.837 1.00 0.00 O ATOM 1642 CB GLU A 111 -10.352 4.664 -19.362 1.00 0.00 C ATOM 1643 CG GLU A 111 -10.598 3.584 -20.418 1.00 0.00 C ATOM 1644 CD GLU A 111 -10.191 2.219 -19.857 1.00 0.00 C ATOM 1645 OE1 GLU A 111 -10.585 1.918 -18.743 1.00 0.00 O ATOM 1646 OE2 GLU A 111 -9.493 1.500 -20.553 1.00 0.00 O ATOM 0 H GLU A 111 -9.153 6.526 -18.212 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.012 3.657 -18.006 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.121 4.615 -18.591 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.418 5.653 -19.816 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.650 3.573 -20.704 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.025 3.804 -21.319 1.00 0.00 H new ATOM 1653 N ASP A 112 -7.735 4.990 -20.760 1.00 0.00 N ATOM 1654 CA ASP A 112 -6.768 4.694 -21.854 1.00 0.00 C ATOM 1655 C ASP A 112 -5.440 4.219 -21.256 1.00 0.00 C ATOM 1656 O ASP A 112 -4.619 3.634 -21.932 1.00 0.00 O ATOM 1657 CB ASP A 112 -6.530 5.960 -22.679 1.00 0.00 C ATOM 1658 CG ASP A 112 -5.974 5.581 -24.052 1.00 0.00 C ATOM 1659 OD1 ASP A 112 -5.126 4.706 -24.105 1.00 0.00 O ATOM 1660 OD2 ASP A 112 -6.406 6.172 -25.028 1.00 0.00 O ATOM 0 H ASP A 112 -8.177 5.908 -20.808 1.00 0.00 H new ATOM 0 HA ASP A 112 -7.176 3.911 -22.494 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.463 6.512 -22.793 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.831 6.617 -22.161 1.00 0.00 H new ATOM 1665 N ALA A 113 -5.222 4.470 -19.994 1.00 0.00 N ATOM 1666 CA ALA A 113 -3.945 4.037 -19.359 1.00 0.00 C ATOM 1667 C ALA A 113 -4.050 2.570 -18.930 1.00 0.00 C ATOM 1668 O ALA A 113 -3.237 1.747 -19.302 1.00 0.00 O ATOM 1669 CB ALA A 113 -3.666 4.908 -18.132 1.00 0.00 C ATOM 0 H ALA A 113 -5.872 4.956 -19.376 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.132 4.144 -20.077 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.732 4.592 -17.666 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.585 5.951 -18.437 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.482 4.802 -17.417 1.00 0.00 H new ATOM 1675 N ILE A 114 -5.039 2.235 -18.147 1.00 0.00 N ATOM 1676 CA ILE A 114 -5.184 0.822 -17.694 1.00 0.00 C ATOM 1677 C ILE A 114 -5.129 -0.115 -18.904 1.00 0.00 C ATOM 1678 O ILE A 114 -4.643 -1.225 -18.819 1.00 0.00 O ATOM 1679 CB ILE A 114 -6.520 0.648 -16.964 1.00 0.00 C ATOM 1680 CG1 ILE A 114 -6.389 -0.470 -15.926 1.00 0.00 C ATOM 1681 CG2 ILE A 114 -7.618 0.279 -17.966 1.00 0.00 C ATOM 1682 CD1 ILE A 114 -5.666 0.063 -14.688 1.00 0.00 C ATOM 0 H ILE A 114 -5.752 2.877 -17.802 1.00 0.00 H new ATOM 0 HA ILE A 114 -4.369 0.577 -17.013 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.782 1.584 -16.470 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.376 -0.843 -15.651 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -5.837 -1.310 -16.349 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.565 0.157 -17.440 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.715 1.072 -18.708 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -7.357 -0.655 -18.464 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -5.573 -0.734 -13.950 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.673 0.414 -14.969 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -6.236 0.889 -14.261 1.00 0.00 H new ATOM 1694 N LYS A 115 -5.621 0.322 -20.031 1.00 0.00 N ATOM 1695 CA LYS A 115 -5.589 -0.547 -21.241 1.00 0.00 C ATOM 1696 C LYS A 115 -4.168 -0.583 -21.803 1.00 0.00 C ATOM 1697 O LYS A 115 -3.546 -1.625 -21.876 1.00 0.00 O ATOM 1698 CB LYS A 115 -6.543 0.012 -22.299 1.00 0.00 C ATOM 1699 CG LYS A 115 -7.418 -1.119 -22.845 1.00 0.00 C ATOM 1700 CD LYS A 115 -6.539 -2.145 -23.564 1.00 0.00 C ATOM 1701 CE LYS A 115 -6.684 -1.971 -25.077 1.00 0.00 C ATOM 1702 NZ LYS A 115 -6.338 -0.570 -25.451 1.00 0.00 N ATOM 0 H LYS A 115 -6.043 1.241 -20.166 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.900 -1.556 -20.971 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.168 0.792 -21.865 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.976 0.471 -23.109 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.962 -1.598 -22.030 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -8.162 -0.717 -23.532 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.497 -2.016 -23.271 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.829 -3.155 -23.274 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.030 -2.670 -25.599 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.705 -2.199 -25.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -6.238 -0.501 -26.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.093 0.071 -25.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.442 -0.301 -24.997 1.00 0.00 H new ATOM 1716 N ALA A 116 -3.645 0.544 -22.201 1.00 0.00 N ATOM 1717 CA ALA A 116 -2.263 0.565 -22.756 1.00 0.00 C ATOM 1718 C ALA A 116 -1.391 -0.425 -21.980 1.00 0.00 C ATOM 1719 O ALA A 116 -0.523 -1.071 -22.532 1.00 0.00 O ATOM 1720 CB ALA A 116 -1.681 1.975 -22.621 1.00 0.00 C ATOM 0 H ALA A 116 -4.114 1.449 -22.166 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.287 0.282 -23.808 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.670 1.992 -23.027 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.304 2.680 -23.171 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.654 2.258 -21.569 1.00 0.00 H new ATOM 1726 N ALA A 117 -1.621 -0.552 -20.701 1.00 0.00 N ATOM 1727 CA ALA A 117 -0.810 -1.502 -19.888 1.00 0.00 C ATOM 1728 C ALA A 117 -1.307 -2.929 -20.131 1.00 0.00 C ATOM 1729 O ALA A 117 -0.611 -3.752 -20.690 1.00 0.00 O ATOM 1730 CB ALA A 117 -0.956 -1.156 -18.404 1.00 0.00 C ATOM 0 H ALA A 117 -2.335 -0.039 -20.184 1.00 0.00 H new ATOM 0 HA ALA A 117 0.238 -1.427 -20.176 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.363 -1.850 -17.808 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.605 -0.139 -18.231 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.004 -1.232 -18.114 1.00 0.00 H new ATOM 1736 N ILE A 118 -2.509 -3.226 -19.718 1.00 0.00 N ATOM 1737 CA ILE A 118 -3.051 -4.599 -19.928 1.00 0.00 C ATOM 1738 C ILE A 118 -2.587 -5.128 -21.286 1.00 0.00 C ATOM 1739 O ILE A 118 -2.445 -6.318 -21.484 1.00 0.00 O ATOM 1740 CB ILE A 118 -4.580 -4.553 -19.897 1.00 0.00 C ATOM 1741 CG1 ILE A 118 -5.056 -4.400 -18.449 1.00 0.00 C ATOM 1742 CG2 ILE A 118 -5.141 -5.849 -20.483 1.00 0.00 C ATOM 1743 CD1 ILE A 118 -6.532 -3.999 -18.432 1.00 0.00 C ATOM 0 H ILE A 118 -3.139 -2.578 -19.245 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.690 -5.257 -19.138 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.930 -3.706 -20.487 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.917 -5.337 -17.909 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.458 -3.646 -17.937 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.230 -5.817 -20.461 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.802 -5.959 -21.513 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.791 -6.696 -19.893 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -6.868 -3.891 -17.401 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -6.658 -3.051 -18.956 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.124 -4.769 -18.927 1.00 0.00 H new ATOM 1755 N ALA A 119 -2.351 -4.252 -22.224 1.00 0.00 N ATOM 1756 CA ALA A 119 -1.899 -4.705 -23.569 1.00 0.00 C ATOM 1757 C ALA A 119 -0.411 -5.059 -23.518 1.00 0.00 C ATOM 1758 O ALA A 119 -0.004 -6.134 -23.909 1.00 0.00 O ATOM 1759 CB ALA A 119 -2.121 -3.583 -24.585 1.00 0.00 C ATOM 0 H ALA A 119 -2.452 -3.243 -22.117 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.470 -5.584 -23.866 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.791 -3.913 -25.570 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.181 -3.331 -24.623 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.550 -2.704 -24.287 1.00 0.00 H new ATOM 1765 N ASP A 120 0.405 -4.159 -23.041 1.00 0.00 N ATOM 1766 CA ASP A 120 1.867 -4.439 -22.968 1.00 0.00 C ATOM 1767 C ASP A 120 2.100 -5.797 -22.300 1.00 0.00 C ATOM 1768 O ASP A 120 2.906 -6.588 -22.749 1.00 0.00 O ATOM 1769 CB ASP A 120 2.554 -3.345 -22.150 1.00 0.00 C ATOM 1770 CG ASP A 120 2.781 -2.116 -23.031 1.00 0.00 C ATOM 1771 OD1 ASP A 120 2.274 -2.105 -24.141 1.00 0.00 O ATOM 1772 OD2 ASP A 120 3.459 -1.206 -22.582 1.00 0.00 O ATOM 0 H ASP A 120 0.122 -3.241 -22.698 1.00 0.00 H new ATOM 0 HA ASP A 120 2.282 -4.457 -23.976 1.00 0.00 H new ATOM 0 HB2 ASP A 120 1.940 -3.080 -21.289 1.00 0.00 H new ATOM 0 HB3 ASP A 120 3.506 -3.709 -21.763 1.00 0.00 H new ATOM 1777 N TYR A 121 1.408 -6.075 -21.229 1.00 0.00 N ATOM 1778 CA TYR A 121 1.603 -7.381 -20.538 1.00 0.00 C ATOM 1779 C TYR A 121 0.906 -8.489 -21.331 1.00 0.00 C ATOM 1780 O TYR A 121 1.527 -9.438 -21.765 1.00 0.00 O ATOM 1781 CB TYR A 121 1.012 -7.306 -19.128 1.00 0.00 C ATOM 1782 CG TYR A 121 0.775 -8.700 -18.590 1.00 0.00 C ATOM 1783 CD1 TYR A 121 1.596 -9.763 -18.991 1.00 0.00 C ATOM 1784 CD2 TYR A 121 -0.268 -8.927 -17.683 1.00 0.00 C ATOM 1785 CE1 TYR A 121 1.373 -11.050 -18.484 1.00 0.00 C ATOM 1786 CE2 TYR A 121 -0.490 -10.214 -17.177 1.00 0.00 C ATOM 1787 CZ TYR A 121 0.330 -11.276 -17.578 1.00 0.00 C ATOM 1788 OH TYR A 121 0.111 -12.544 -17.079 1.00 0.00 O ATOM 0 H TYR A 121 0.718 -5.456 -20.804 1.00 0.00 H new ATOM 0 HA TYR A 121 2.668 -7.602 -20.472 1.00 0.00 H new ATOM 0 HB2 TYR A 121 1.690 -6.764 -18.469 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.074 -6.751 -19.147 1.00 0.00 H new ATOM 0 HD1 TYR A 121 2.400 -9.590 -19.691 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -0.902 -8.109 -17.374 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.006 -11.869 -18.792 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -1.294 -10.387 -16.477 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.650 -12.526 -16.462 1.00 0.00 H new ATOM 1798 N LYS A 122 -0.380 -8.376 -21.524 1.00 0.00 N ATOM 1799 CA LYS A 122 -1.112 -9.425 -22.289 1.00 0.00 C ATOM 1800 C LYS A 122 -0.294 -9.823 -23.519 1.00 0.00 C ATOM 1801 O LYS A 122 -0.312 -10.961 -23.947 1.00 0.00 O ATOM 1802 CB LYS A 122 -2.469 -8.879 -22.737 1.00 0.00 C ATOM 1803 CG LYS A 122 -3.237 -9.971 -23.485 1.00 0.00 C ATOM 1804 CD LYS A 122 -3.612 -11.089 -22.509 1.00 0.00 C ATOM 1805 CE LYS A 122 -4.842 -11.833 -23.033 1.00 0.00 C ATOM 1806 NZ LYS A 122 -4.759 -13.268 -22.637 1.00 0.00 N ATOM 0 H LYS A 122 -0.954 -7.604 -21.186 1.00 0.00 H new ATOM 0 HA LYS A 122 -1.263 -10.297 -21.653 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.042 -8.544 -21.872 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.329 -8.011 -23.382 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.136 -9.553 -23.939 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -2.627 -10.370 -24.295 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.777 -11.781 -22.394 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -3.819 -10.672 -21.524 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.750 -11.385 -22.630 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.898 -11.746 -24.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.594 -13.775 -22.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -3.899 -13.691 -23.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.725 -13.341 -21.600 1.00 0.00 H new ATOM 1820 N ALA A 123 0.424 -8.896 -24.091 1.00 0.00 N ATOM 1821 CA ALA A 123 1.243 -9.224 -25.293 1.00 0.00 C ATOM 1822 C ALA A 123 2.186 -10.383 -24.966 1.00 0.00 C ATOM 1823 O ALA A 123 2.668 -11.070 -25.843 1.00 0.00 O ATOM 1824 CB ALA A 123 2.061 -7.997 -25.702 1.00 0.00 C ATOM 0 H ALA A 123 0.479 -7.927 -23.779 1.00 0.00 H new ATOM 0 HA ALA A 123 0.587 -9.512 -26.114 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.660 -8.236 -26.581 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.388 -7.172 -25.935 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.718 -7.708 -24.882 1.00 0.00 H new ATOM 1830 N LYS A 124 2.450 -10.607 -23.708 1.00 0.00 N ATOM 1831 CA LYS A 124 3.361 -11.723 -23.326 1.00 0.00 C ATOM 1832 C LYS A 124 2.557 -12.816 -22.619 1.00 0.00 C ATOM 1833 O LYS A 124 3.089 -13.591 -21.850 1.00 0.00 O ATOM 1834 CB LYS A 124 4.442 -11.199 -22.378 1.00 0.00 C ATOM 1835 CG LYS A 124 4.800 -9.760 -22.755 1.00 0.00 C ATOM 1836 CD LYS A 124 5.867 -9.230 -21.792 1.00 0.00 C ATOM 1837 CE LYS A 124 6.200 -7.780 -22.146 1.00 0.00 C ATOM 1838 NZ LYS A 124 6.713 -7.079 -20.935 1.00 0.00 N ATOM 0 H LYS A 124 2.075 -10.066 -22.929 1.00 0.00 H new ATOM 0 HA LYS A 124 3.828 -12.132 -24.222 1.00 0.00 H new ATOM 0 HB2 LYS A 124 4.087 -11.239 -21.348 1.00 0.00 H new ATOM 0 HB3 LYS A 124 5.328 -11.832 -22.435 1.00 0.00 H new ATOM 0 HG2 LYS A 124 5.169 -9.722 -23.780 1.00 0.00 H new ATOM 0 HG3 LYS A 124 3.912 -9.130 -22.713 1.00 0.00 H new ATOM 0 HD2 LYS A 124 5.507 -9.291 -20.765 1.00 0.00 H new ATOM 0 HD3 LYS A 124 6.765 -9.845 -21.853 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.946 -7.750 -22.940 1.00 0.00 H new ATOM 0 HE3 LYS A 124 5.312 -7.273 -22.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 6.940 -6.093 -21.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 5.987 -7.096 -20.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.571 -7.558 -20.594 1.00 0.00 H new