USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 466 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 48 CYS SG : rot -175:sc= -1.8 USER MOD Set 1.2: A 51 CYS SG : rot -128:sc= 0.475 USER MOD Set 1.3: A 70 CYS SG : rot 162:sc= -0.932 USER MOD Set 1.4: A 73 CYS SG : rot -64:sc= 1.66 USER MOD Set 2.1: A 39 ASN : amide:sc= -6.95! C(o=-6.3!,f=-10!) USER MOD Set 2.2: A 43 THR OG1 : rot 155:sc= 0.615 USER MOD Set 3.1: A 31 CYS SG : rot 160:sc= 0.14 USER MOD Set 3.2: A 34 CYS SG : rot -59:sc= 2.07 USER MOD Set 3.3: A 84 CYS SG : rot 152:sc= 0.694 USER MOD Set 3.4: A 87 CYS SG : rot -124:sc= 1.16 USER MOD Single : A 28 MET CE :methyl 168:sc= -1.75! (180deg=-1.86!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HE2:sc= -0.535 X(o=-0.53,f=-0.68) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.182 USER MOD Single : A 56 MET CE :methyl -148:sc=-0.00376 (180deg=-0.402) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.23) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -167:sc= -1.8 (180deg=-1.96) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -3.3 X(o=-3.3,f=-3.8!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 381 N MET A 28 17.857 21.844 -9.690 1.00 0.00 N ATOM 382 CA MET A 28 17.400 20.459 -9.698 1.00 0.00 C ATOM 383 C MET A 28 17.802 19.761 -10.994 1.00 0.00 C ATOM 384 O MET A 28 17.217 20.007 -12.049 1.00 0.00 O ATOM 385 CB MET A 28 15.881 20.400 -9.524 1.00 0.00 C ATOM 386 CG MET A 28 15.423 20.658 -8.097 1.00 0.00 C ATOM 387 SD MET A 28 15.322 19.148 -7.116 1.00 0.00 S ATOM 388 CE MET A 28 16.699 19.381 -5.995 1.00 0.00 C ATOM 0 HA MET A 28 17.875 19.941 -8.865 1.00 0.00 H new ATOM 0 HB2 MET A 28 15.419 21.134 -10.184 1.00 0.00 H new ATOM 0 HB3 MET A 28 15.525 19.419 -9.840 1.00 0.00 H new ATOM 0 HG2 MET A 28 16.113 21.352 -7.618 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.446 21.141 -8.115 1.00 0.00 H new ATOM 0 HE1 MET A 28 16.644 18.645 -5.193 1.00 0.00 H new ATOM 0 HE2 MET A 28 17.636 19.256 -6.538 1.00 0.00 H new ATOM 0 HE3 MET A 28 16.657 20.384 -5.571 1.00 0.00 H new ATOM 398 N ASP A 29 18.802 18.891 -10.906 1.00 0.00 N ATOM 399 CA ASP A 29 19.281 18.158 -12.072 1.00 0.00 C ATOM 400 C ASP A 29 19.244 16.654 -11.820 1.00 0.00 C ATOM 401 O ASP A 29 18.778 16.199 -10.775 1.00 0.00 O ATOM 402 CB ASP A 29 20.704 18.593 -12.426 1.00 0.00 C ATOM 403 CG ASP A 29 21.010 18.429 -13.901 1.00 0.00 C ATOM 404 OD1 ASP A 29 20.062 18.480 -14.713 1.00 0.00 O ATOM 405 OD2 ASP A 29 22.197 18.251 -14.245 1.00 0.00 O ATOM 0 H ASP A 29 19.296 18.676 -10.040 1.00 0.00 H new ATOM 0 HA ASP A 29 18.621 18.385 -12.910 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.843 19.636 -12.143 1.00 0.00 H new ATOM 0 HB3 ASP A 29 21.415 18.008 -11.843 1.00 0.00 H new ATOM 410 N THR A 30 19.738 15.884 -12.786 1.00 0.00 N ATOM 411 CA THR A 30 19.759 14.432 -12.670 1.00 0.00 C ATOM 412 C THR A 30 20.814 13.975 -11.669 1.00 0.00 C ATOM 413 O THR A 30 21.976 14.373 -11.751 1.00 0.00 O ATOM 414 CB THR A 30 20.036 13.764 -14.030 1.00 0.00 C ATOM 415 OG1 THR A 30 19.172 14.314 -15.031 1.00 0.00 O ATOM 416 CG2 THR A 30 19.830 12.259 -13.946 1.00 0.00 C ATOM 0 H THR A 30 20.129 16.243 -13.657 1.00 0.00 H new ATOM 0 HA THR A 30 18.773 14.129 -12.318 1.00 0.00 H new ATOM 0 HB THR A 30 21.074 13.958 -14.300 1.00 0.00 H new ATOM 0 HG1 THR A 30 19.356 13.885 -15.893 1.00 0.00 H new ATOM 0 HG21 THR A 30 20.031 11.809 -14.918 1.00 0.00 H new ATOM 0 HG22 THR A 30 20.510 11.840 -13.204 1.00 0.00 H new ATOM 0 HG23 THR A 30 18.801 12.048 -13.655 1.00 0.00 H new ATOM 424 N CYS A 31 20.402 13.137 -10.723 1.00 0.00 N ATOM 425 CA CYS A 31 21.311 12.626 -9.705 1.00 0.00 C ATOM 426 C CYS A 31 22.568 12.041 -10.343 1.00 0.00 C ATOM 427 O CYS A 31 22.516 11.473 -11.433 1.00 0.00 O ATOM 428 CB CYS A 31 20.613 11.560 -8.858 1.00 0.00 C ATOM 429 SG CYS A 31 21.574 11.015 -7.409 1.00 0.00 S ATOM 0 H CYS A 31 19.444 12.798 -10.641 1.00 0.00 H new ATOM 0 HA CYS A 31 21.603 13.457 -9.063 1.00 0.00 H new ATOM 0 HB2 CYS A 31 19.654 11.952 -8.518 1.00 0.00 H new ATOM 0 HB3 CYS A 31 20.400 10.695 -9.486 1.00 0.00 H new ATOM 0 HG CYS A 31 20.777 10.466 -6.541 1.00 0.00 H new ATOM 434 N GLU A 32 23.696 12.186 -9.654 1.00 0.00 N ATOM 435 CA GLU A 32 24.967 11.672 -10.153 1.00 0.00 C ATOM 436 C GLU A 32 25.351 10.380 -9.438 1.00 0.00 C ATOM 437 O GLU A 32 26.012 9.514 -10.011 1.00 0.00 O ATOM 438 CB GLU A 32 26.070 12.716 -9.972 1.00 0.00 C ATOM 439 CG GLU A 32 26.398 13.010 -8.518 1.00 0.00 C ATOM 440 CD GLU A 32 27.684 13.797 -8.356 1.00 0.00 C ATOM 441 OE1 GLU A 32 27.750 14.936 -8.862 1.00 0.00 O ATOM 442 OE2 GLU A 32 28.624 13.272 -7.724 1.00 0.00 O ATOM 0 H GLU A 32 23.756 12.654 -8.750 1.00 0.00 H new ATOM 0 HA GLU A 32 24.851 11.457 -11.215 1.00 0.00 H new ATOM 0 HB2 GLU A 32 26.972 12.370 -10.476 1.00 0.00 H new ATOM 0 HB3 GLU A 32 25.766 13.641 -10.461 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.576 13.569 -8.070 1.00 0.00 H new ATOM 0 HG3 GLU A 32 26.480 12.071 -7.971 1.00 0.00 H new ATOM 449 N ARG A 33 24.932 10.259 -8.183 1.00 0.00 N ATOM 450 CA ARG A 33 25.233 9.075 -7.388 1.00 0.00 C ATOM 451 C ARG A 33 24.565 7.838 -7.981 1.00 0.00 C ATOM 452 O ARG A 33 25.176 6.772 -8.071 1.00 0.00 O ATOM 453 CB ARG A 33 24.772 9.274 -5.943 1.00 0.00 C ATOM 454 CG ARG A 33 25.504 8.393 -4.943 1.00 0.00 C ATOM 455 CD ARG A 33 24.983 8.603 -3.530 1.00 0.00 C ATOM 456 NE ARG A 33 25.248 7.450 -2.673 1.00 0.00 N ATOM 457 CZ ARG A 33 24.471 6.374 -2.626 1.00 0.00 C ATOM 458 NH1 ARG A 33 23.385 6.303 -3.384 1.00 0.00 N ATOM 459 NH2 ARG A 33 24.779 5.366 -1.820 1.00 0.00 N ATOM 0 H ARG A 33 24.383 10.967 -7.695 1.00 0.00 H new ATOM 0 HA ARG A 33 26.313 8.925 -7.400 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.914 10.319 -5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 33 23.703 9.070 -5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.386 7.346 -5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 33 26.571 8.613 -4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 33 25.449 9.489 -3.100 1.00 0.00 H new ATOM 0 HD3 ARG A 33 23.910 8.791 -3.563 1.00 0.00 H new ATOM 0 HE ARG A 33 26.076 7.473 -2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 33 23.145 7.076 -4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.790 5.476 -3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 33 25.613 5.417 -1.236 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.181 4.540 -1.785 1.00 0.00 H new ATOM 473 N CYS A 34 23.307 7.986 -8.382 1.00 0.00 N ATOM 474 CA CYS A 34 22.555 6.882 -8.966 1.00 0.00 C ATOM 475 C CYS A 34 22.323 7.110 -10.457 1.00 0.00 C ATOM 476 O CYS A 34 21.782 6.249 -11.150 1.00 0.00 O ATOM 477 CB CYS A 34 21.213 6.717 -8.249 1.00 0.00 C ATOM 478 SG CYS A 34 20.075 8.123 -8.467 1.00 0.00 S ATOM 0 H CYS A 34 22.787 8.860 -8.313 1.00 0.00 H new ATOM 0 HA CYS A 34 23.140 5.971 -8.843 1.00 0.00 H new ATOM 0 HB2 CYS A 34 20.728 5.811 -8.613 1.00 0.00 H new ATOM 0 HB3 CYS A 34 21.397 6.574 -7.184 1.00 0.00 H new ATOM 0 HG CYS A 34 20.636 9.208 -8.023 1.00 0.00 H new ATOM 483 N ASN A 35 22.736 8.276 -10.943 1.00 0.00 N ATOM 484 CA ASN A 35 22.573 8.617 -12.352 1.00 0.00 C ATOM 485 C ASN A 35 21.097 8.655 -12.735 1.00 0.00 C ATOM 486 O ASN A 35 20.704 8.146 -13.784 1.00 0.00 O ATOM 487 CB ASN A 35 23.315 7.609 -13.231 1.00 0.00 C ATOM 488 CG ASN A 35 24.819 7.792 -13.180 1.00 0.00 C ATOM 489 OD1 ASN A 35 25.406 8.446 -14.042 1.00 0.00 O ATOM 490 ND2 ASN A 35 25.451 7.215 -12.164 1.00 0.00 N ATOM 0 H ASN A 35 23.186 9.000 -10.383 1.00 0.00 H new ATOM 0 HA ASN A 35 22.997 9.609 -12.512 1.00 0.00 H new ATOM 0 HB2 ASN A 35 23.064 6.598 -12.910 1.00 0.00 H new ATOM 0 HB3 ASN A 35 22.974 7.710 -14.261 1.00 0.00 H new ATOM 0 HD21 ASN A 35 26.463 7.305 -12.076 1.00 0.00 H new ATOM 0 HD22 ASN A 35 24.924 6.682 -11.472 1.00 0.00 H new ATOM 497 N GLY A 36 20.283 9.263 -11.877 1.00 0.00 N ATOM 498 CA GLY A 36 18.860 9.357 -12.143 1.00 0.00 C ATOM 499 C GLY A 36 18.181 8.002 -12.148 1.00 0.00 C ATOM 500 O GLY A 36 17.231 7.777 -12.899 1.00 0.00 O ATOM 0 H GLY A 36 20.584 9.692 -11.002 1.00 0.00 H new ATOM 0 HA2 GLY A 36 18.394 9.991 -11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 36 18.705 9.841 -13.107 1.00 0.00 H new ATOM 504 N LYS A 37 18.668 7.094 -11.309 1.00 0.00 N ATOM 505 CA LYS A 37 18.103 5.753 -11.219 1.00 0.00 C ATOM 506 C LYS A 37 17.252 5.605 -9.961 1.00 0.00 C ATOM 507 O LYS A 37 16.052 5.344 -10.040 1.00 0.00 O ATOM 508 CB LYS A 37 19.219 4.706 -11.218 1.00 0.00 C ATOM 509 CG LYS A 37 19.894 4.535 -12.568 1.00 0.00 C ATOM 510 CD LYS A 37 19.073 3.652 -13.493 1.00 0.00 C ATOM 511 CE LYS A 37 19.124 2.195 -13.063 1.00 0.00 C ATOM 512 NZ LYS A 37 18.357 1.316 -13.989 1.00 0.00 N ATOM 0 H LYS A 37 19.454 7.263 -10.681 1.00 0.00 H new ATOM 0 HA LYS A 37 17.466 5.595 -12.089 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.969 4.988 -10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.806 3.747 -10.904 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.039 5.512 -13.030 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.883 4.098 -12.429 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.038 3.994 -13.500 1.00 0.00 H new ATOM 0 HD3 LYS A 37 19.447 3.745 -14.513 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.162 1.864 -13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.721 2.100 -12.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.416 0.331 -13.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.361 1.616 -14.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.757 1.387 -14.946 1.00 0.00 H new ATOM 526 N GLY A 38 17.881 5.775 -8.803 1.00 0.00 N ATOM 527 CA GLY A 38 17.165 5.658 -7.546 1.00 0.00 C ATOM 528 C GLY A 38 17.713 4.551 -6.667 1.00 0.00 C ATOM 529 O GLY A 38 17.061 4.125 -5.715 1.00 0.00 O ATOM 0 H GLY A 38 18.874 5.992 -8.712 1.00 0.00 H new ATOM 0 HA2 GLY A 38 17.222 6.605 -7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 38 16.111 5.469 -7.748 1.00 0.00 H new ATOM 533 N ASN A 39 18.915 4.082 -6.989 1.00 0.00 N ATOM 534 CA ASN A 39 19.549 3.016 -6.223 1.00 0.00 C ATOM 535 C ASN A 39 21.030 3.310 -6.004 1.00 0.00 C ATOM 536 O ASN A 39 21.664 3.987 -6.813 1.00 0.00 O ATOM 537 CB ASN A 39 19.385 1.675 -6.943 1.00 0.00 C ATOM 538 CG ASN A 39 19.781 0.499 -6.072 1.00 0.00 C ATOM 539 OD1 ASN A 39 19.635 0.540 -4.850 1.00 0.00 O ATOM 540 ND2 ASN A 39 20.286 -0.557 -6.698 1.00 0.00 N ATOM 0 H ASN A 39 19.468 4.424 -7.775 1.00 0.00 H new ATOM 0 HA ASN A 39 19.060 2.961 -5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.348 1.558 -7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 39 19.993 1.675 -7.848 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.571 -1.378 -6.164 1.00 0.00 H new ATOM 0 HD22 ASN A 39 20.389 -0.547 -7.713 1.00 0.00 H new ATOM 547 N GLU A 40 21.574 2.795 -4.906 1.00 0.00 N ATOM 548 CA GLU A 40 22.981 3.003 -4.581 1.00 0.00 C ATOM 549 C GLU A 40 23.882 2.387 -5.647 1.00 0.00 C ATOM 550 O GLU A 40 23.620 1.301 -6.166 1.00 0.00 O ATOM 551 CB GLU A 40 23.305 2.402 -3.212 1.00 0.00 C ATOM 552 CG GLU A 40 22.446 2.952 -2.086 1.00 0.00 C ATOM 553 CD GLU A 40 23.093 2.787 -0.725 1.00 0.00 C ATOM 554 OE1 GLU A 40 23.973 1.912 -0.589 1.00 0.00 O ATOM 555 OE2 GLU A 40 22.720 3.533 0.204 1.00 0.00 O ATOM 0 H GLU A 40 21.063 2.231 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 40 23.166 4.077 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 40 23.177 1.321 -3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 40 24.354 2.589 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 40 22.251 4.009 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 40 21.481 2.445 -2.089 1.00 0.00 H new ATOM 562 N PRO A 41 24.971 3.095 -5.982 1.00 0.00 N ATOM 563 CA PRO A 41 25.934 2.637 -6.989 1.00 0.00 C ATOM 564 C PRO A 41 26.742 1.435 -6.513 1.00 0.00 C ATOM 565 O PRO A 41 27.828 1.163 -7.024 1.00 0.00 O ATOM 566 CB PRO A 41 26.846 3.851 -7.184 1.00 0.00 C ATOM 567 CG PRO A 41 26.748 4.609 -5.905 1.00 0.00 C ATOM 568 CD PRO A 41 25.346 4.396 -5.404 1.00 0.00 C ATOM 0 HA PRO A 41 25.442 2.305 -7.903 1.00 0.00 H new ATOM 0 HB2 PRO A 41 27.873 3.546 -7.386 1.00 0.00 H new ATOM 0 HB3 PRO A 41 26.522 4.458 -8.029 1.00 0.00 H new ATOM 0 HG2 PRO A 41 27.480 4.250 -5.181 1.00 0.00 H new ATOM 0 HG3 PRO A 41 26.949 5.669 -6.063 1.00 0.00 H new ATOM 0 HD2 PRO A 41 25.307 4.378 -4.315 1.00 0.00 H new ATOM 0 HD3 PRO A 41 24.676 5.190 -5.734 1.00 0.00 H new ATOM 576 N GLY A 42 26.205 0.717 -5.531 1.00 0.00 N ATOM 577 CA GLY A 42 26.890 -0.449 -5.004 1.00 0.00 C ATOM 578 C GLY A 42 25.957 -1.381 -4.257 1.00 0.00 C ATOM 579 O GLY A 42 26.333 -1.965 -3.240 1.00 0.00 O ATOM 0 H GLY A 42 25.308 0.922 -5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 42 27.361 -0.991 -5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 42 27.688 -0.126 -4.336 1.00 0.00 H new ATOM 583 N THR A 43 24.734 -1.521 -4.761 1.00 0.00 N ATOM 584 CA THR A 43 23.744 -2.387 -4.134 1.00 0.00 C ATOM 585 C THR A 43 23.103 -3.320 -5.155 1.00 0.00 C ATOM 586 O THR A 43 23.480 -3.327 -6.327 1.00 0.00 O ATOM 587 CB THR A 43 22.639 -1.567 -3.441 1.00 0.00 C ATOM 588 OG1 THR A 43 22.060 -0.643 -4.370 1.00 0.00 O ATOM 589 CG2 THR A 43 23.196 -0.809 -2.246 1.00 0.00 C ATOM 0 H THR A 43 24.406 -1.045 -5.602 1.00 0.00 H new ATOM 0 HA THR A 43 24.271 -2.979 -3.386 1.00 0.00 H new ATOM 0 HB THR A 43 21.872 -2.257 -3.088 1.00 0.00 H new ATOM 0 HG1 THR A 43 21.149 -0.419 -4.085 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.397 -0.238 -1.773 1.00 0.00 H new ATOM 0 HG22 THR A 43 23.611 -1.516 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 43 23.980 -0.129 -2.580 1.00 0.00 H new ATOM 597 N LYS A 44 22.132 -4.107 -4.704 1.00 0.00 N ATOM 598 CA LYS A 44 21.437 -5.043 -5.578 1.00 0.00 C ATOM 599 C LYS A 44 19.950 -4.714 -5.656 1.00 0.00 C ATOM 600 O LYS A 44 19.398 -4.074 -4.761 1.00 0.00 O ATOM 601 CB LYS A 44 21.627 -6.477 -5.078 1.00 0.00 C ATOM 602 CG LYS A 44 23.065 -6.960 -5.147 1.00 0.00 C ATOM 603 CD LYS A 44 23.375 -7.951 -4.037 1.00 0.00 C ATOM 604 CE LYS A 44 24.523 -8.873 -4.417 1.00 0.00 C ATOM 605 NZ LYS A 44 25.848 -8.259 -4.123 1.00 0.00 N ATOM 0 H LYS A 44 21.809 -4.115 -3.737 1.00 0.00 H new ATOM 0 HA LYS A 44 21.864 -4.953 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 44 21.280 -6.542 -4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 44 21.000 -7.145 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.246 -7.428 -6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.740 -6.107 -5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.628 -7.410 -3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.487 -8.545 -3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 44 24.429 -9.813 -3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 44 24.461 -9.112 -5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 26.604 -8.918 -4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 25.948 -7.375 -4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 25.918 -8.054 -3.106 1.00 0.00 H new ATOM 619 N VAL A 45 19.306 -5.156 -6.732 1.00 0.00 N ATOM 620 CA VAL A 45 17.882 -4.910 -6.925 1.00 0.00 C ATOM 621 C VAL A 45 17.215 -6.078 -7.642 1.00 0.00 C ATOM 622 O VAL A 45 17.852 -6.786 -8.420 1.00 0.00 O ATOM 623 CB VAL A 45 17.639 -3.620 -7.732 1.00 0.00 C ATOM 624 CG1 VAL A 45 18.716 -3.443 -8.792 1.00 0.00 C ATOM 625 CG2 VAL A 45 16.256 -3.640 -8.364 1.00 0.00 C ATOM 0 H VAL A 45 19.748 -5.686 -7.483 1.00 0.00 H new ATOM 0 HA VAL A 45 17.443 -4.797 -5.934 1.00 0.00 H new ATOM 0 HB VAL A 45 17.690 -2.771 -7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 45 18.528 -2.527 -9.352 1.00 0.00 H new ATOM 0 HG12 VAL A 45 19.693 -3.381 -8.312 1.00 0.00 H new ATOM 0 HG13 VAL A 45 18.700 -4.294 -9.473 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.101 -2.721 -8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.174 -4.497 -9.033 1.00 0.00 H new ATOM 0 HG23 VAL A 45 15.500 -3.716 -7.583 1.00 0.00 H new ATOM 635 N GLN A 46 15.927 -6.272 -7.375 1.00 0.00 N ATOM 636 CA GLN A 46 15.173 -7.355 -7.995 1.00 0.00 C ATOM 637 C GLN A 46 14.185 -6.812 -9.022 1.00 0.00 C ATOM 638 O GLN A 46 13.828 -5.633 -8.992 1.00 0.00 O ATOM 639 CB GLN A 46 14.429 -8.162 -6.930 1.00 0.00 C ATOM 640 CG GLN A 46 15.268 -8.463 -5.699 1.00 0.00 C ATOM 641 CD GLN A 46 14.886 -9.774 -5.039 1.00 0.00 C ATOM 642 OE1 GLN A 46 15.587 -10.777 -5.175 1.00 0.00 O ATOM 643 NE2 GLN A 46 13.770 -9.772 -4.320 1.00 0.00 N ATOM 0 H GLN A 46 15.384 -5.693 -6.734 1.00 0.00 H new ATOM 0 HA GLN A 46 15.879 -8.008 -8.508 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.538 -7.613 -6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.091 -9.101 -7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.321 -8.495 -5.980 1.00 0.00 H new ATOM 0 HG3 GLN A 46 15.155 -7.652 -4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.220 -8.917 -4.235 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.463 -10.625 -3.853 1.00 0.00 H new ATOM 652 N HIS A 47 13.746 -7.678 -9.929 1.00 0.00 N ATOM 653 CA HIS A 47 12.798 -7.285 -10.966 1.00 0.00 C ATOM 654 C HIS A 47 11.378 -7.230 -10.410 1.00 0.00 C ATOM 655 O HIS A 47 10.968 -8.098 -9.639 1.00 0.00 O ATOM 656 CB HIS A 47 12.861 -8.260 -12.141 1.00 0.00 C ATOM 657 CG HIS A 47 11.865 -7.964 -13.220 1.00 0.00 C ATOM 658 ND1 HIS A 47 12.181 -7.264 -14.365 1.00 0.00 N ATOM 659 CD2 HIS A 47 10.553 -8.279 -13.324 1.00 0.00 C ATOM 660 CE1 HIS A 47 11.106 -7.160 -15.126 1.00 0.00 C ATOM 661 NE2 HIS A 47 10.104 -7.768 -14.517 1.00 0.00 N ATOM 0 H HIS A 47 14.031 -8.657 -9.967 1.00 0.00 H new ATOM 0 HA HIS A 47 13.072 -6.290 -11.316 1.00 0.00 H new ATOM 0 HB2 HIS A 47 13.864 -8.237 -12.568 1.00 0.00 H new ATOM 0 HB3 HIS A 47 12.694 -9.272 -11.772 1.00 0.00 H new ATOM 0 HD1 HIS A 47 13.101 -6.885 -14.590 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.968 -8.830 -12.603 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.055 -6.662 -16.083 1.00 0.00 H new ATOM 669 N CYS A 48 10.631 -6.205 -10.807 1.00 0.00 N ATOM 670 CA CYS A 48 9.258 -6.036 -10.348 1.00 0.00 C ATOM 671 C CYS A 48 8.279 -6.713 -11.303 1.00 0.00 C ATOM 672 O CYS A 48 8.344 -6.520 -12.517 1.00 0.00 O ATOM 673 CB CYS A 48 8.919 -4.549 -10.223 1.00 0.00 C ATOM 674 SG CYS A 48 7.331 -4.215 -9.395 1.00 0.00 S ATOM 0 H CYS A 48 10.954 -5.479 -11.446 1.00 0.00 H new ATOM 0 HA CYS A 48 9.168 -6.506 -9.369 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.716 -4.051 -9.671 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.897 -4.107 -11.219 1.00 0.00 H new ATOM 0 HG CYS A 48 7.079 -2.940 -9.437 1.00 0.00 H new ATOM 679 N HIS A 49 7.371 -7.508 -10.745 1.00 0.00 N ATOM 680 CA HIS A 49 6.377 -8.214 -11.546 1.00 0.00 C ATOM 681 C HIS A 49 5.143 -7.345 -11.769 1.00 0.00 C ATOM 682 O HIS A 49 4.531 -7.381 -12.837 1.00 0.00 O ATOM 683 CB HIS A 49 5.977 -9.522 -10.863 1.00 0.00 C ATOM 684 CG HIS A 49 7.144 -10.379 -10.480 1.00 0.00 C ATOM 685 ND1 HIS A 49 8.056 -10.861 -11.395 1.00 0.00 N ATOM 686 CD2 HIS A 49 7.546 -10.838 -9.272 1.00 0.00 C ATOM 687 CE1 HIS A 49 8.968 -11.581 -10.766 1.00 0.00 C ATOM 688 NE2 HIS A 49 8.682 -11.582 -9.477 1.00 0.00 N ATOM 0 H HIS A 49 7.303 -7.679 -9.742 1.00 0.00 H new ATOM 0 HA HIS A 49 6.821 -8.440 -12.516 1.00 0.00 H new ATOM 0 HB2 HIS A 49 5.396 -9.293 -9.969 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.326 -10.086 -11.530 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.063 -10.654 -8.324 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.805 -12.083 -11.228 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.218 -12.058 -8.751 1.00 0.00 H new ATOM 696 N TYR A 50 4.782 -6.566 -10.755 1.00 0.00 N ATOM 697 CA TYR A 50 3.620 -5.690 -10.840 1.00 0.00 C ATOM 698 C TYR A 50 3.506 -5.068 -12.228 1.00 0.00 C ATOM 699 O TYR A 50 2.546 -5.317 -12.957 1.00 0.00 O ATOM 700 CB TYR A 50 3.705 -4.590 -9.781 1.00 0.00 C ATOM 701 CG TYR A 50 3.035 -4.953 -8.475 1.00 0.00 C ATOM 702 CD1 TYR A 50 3.218 -6.206 -7.903 1.00 0.00 C ATOM 703 CD2 TYR A 50 2.218 -4.044 -7.814 1.00 0.00 C ATOM 704 CE1 TYR A 50 2.607 -6.542 -6.710 1.00 0.00 C ATOM 705 CE2 TYR A 50 1.605 -4.371 -6.620 1.00 0.00 C ATOM 706 CZ TYR A 50 1.802 -5.621 -6.073 1.00 0.00 C ATOM 707 OH TYR A 50 1.192 -5.952 -4.885 1.00 0.00 O ATOM 0 H TYR A 50 5.278 -6.524 -9.865 1.00 0.00 H new ATOM 0 HA TYR A 50 2.730 -6.292 -10.658 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.754 -4.361 -9.590 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.247 -3.682 -10.174 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.848 -6.929 -8.399 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.059 -3.065 -8.241 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.759 -7.520 -6.279 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.975 -3.652 -6.118 1.00 0.00 H new ATOM 0 HH TYR A 50 0.661 -5.192 -4.567 1.00 0.00 H new ATOM 717 N CYS A 51 4.495 -4.256 -12.588 1.00 0.00 N ATOM 718 CA CYS A 51 4.509 -3.597 -13.888 1.00 0.00 C ATOM 719 C CYS A 51 5.205 -4.466 -14.931 1.00 0.00 C ATOM 720 O CYS A 51 4.779 -4.533 -16.083 1.00 0.00 O ATOM 721 CB CYS A 51 5.210 -2.241 -13.788 1.00 0.00 C ATOM 722 SG CYS A 51 6.769 -2.277 -12.846 1.00 0.00 S ATOM 0 H CYS A 51 5.297 -4.039 -11.997 1.00 0.00 H new ATOM 0 HA CYS A 51 3.476 -3.443 -14.200 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.414 -1.875 -14.794 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.532 -1.527 -13.320 1.00 0.00 H new ATOM 0 HG CYS A 51 6.744 -1.354 -11.930 1.00 0.00 H new ATOM 727 N GLY A 52 6.281 -5.130 -14.518 1.00 0.00 N ATOM 728 CA GLY A 52 7.019 -5.986 -15.428 1.00 0.00 C ATOM 729 C GLY A 52 8.132 -5.247 -16.145 1.00 0.00 C ATOM 730 O GLY A 52 8.631 -5.707 -17.171 1.00 0.00 O ATOM 0 H GLY A 52 6.654 -5.090 -13.570 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.442 -6.823 -14.872 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.333 -6.406 -16.164 1.00 0.00 H new ATOM 734 N GLY A 53 8.520 -4.096 -15.604 1.00 0.00 N ATOM 735 CA GLY A 53 9.577 -3.310 -16.213 1.00 0.00 C ATOM 736 C GLY A 53 9.042 -2.126 -16.994 1.00 0.00 C ATOM 737 O GLY A 53 9.683 -1.650 -17.931 1.00 0.00 O ATOM 0 H GLY A 53 8.121 -3.694 -14.755 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.254 -2.953 -15.437 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.161 -3.946 -16.878 1.00 0.00 H new ATOM 741 N SER A 54 7.862 -1.650 -16.610 1.00 0.00 N ATOM 742 CA SER A 54 7.238 -0.517 -17.284 1.00 0.00 C ATOM 743 C SER A 54 6.925 0.600 -16.294 1.00 0.00 C ATOM 744 O SER A 54 6.691 1.743 -16.684 1.00 0.00 O ATOM 745 CB SER A 54 5.956 -0.961 -17.991 1.00 0.00 C ATOM 746 OG SER A 54 4.908 -1.175 -17.061 1.00 0.00 O ATOM 0 H SER A 54 7.319 -2.031 -15.836 1.00 0.00 H new ATOM 0 HA SER A 54 7.940 -0.135 -18.025 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.655 -0.203 -18.715 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.144 -1.878 -18.549 1.00 0.00 H new ATOM 0 HG SER A 54 4.100 -1.456 -17.538 1.00 0.00 H new ATOM 752 N GLY A 55 6.924 0.260 -15.008 1.00 0.00 N ATOM 753 CA GLY A 55 6.639 1.245 -13.981 1.00 0.00 C ATOM 754 C GLY A 55 5.174 1.630 -13.938 1.00 0.00 C ATOM 755 O GLY A 55 4.828 2.736 -13.522 1.00 0.00 O ATOM 0 H GLY A 55 7.115 -0.679 -14.660 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.936 0.849 -13.010 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.241 2.136 -14.160 1.00 0.00 H new ATOM 759 N MET A 56 4.310 0.718 -14.371 1.00 0.00 N ATOM 760 CA MET A 56 2.874 0.969 -14.381 1.00 0.00 C ATOM 761 C MET A 56 2.119 -0.162 -13.689 1.00 0.00 C ATOM 762 O MET A 56 2.435 -1.336 -13.879 1.00 0.00 O ATOM 763 CB MET A 56 2.372 1.129 -15.817 1.00 0.00 C ATOM 764 CG MET A 56 1.096 1.948 -15.927 1.00 0.00 C ATOM 765 SD MET A 56 1.415 3.715 -16.090 1.00 0.00 S ATOM 766 CE MET A 56 0.147 4.388 -15.020 1.00 0.00 C ATOM 0 H MET A 56 4.580 -0.202 -14.720 1.00 0.00 H new ATOM 0 HA MET A 56 2.689 1.894 -13.834 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.151 1.603 -16.415 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.198 0.142 -16.245 1.00 0.00 H new ATOM 0 HG2 MET A 56 0.523 1.606 -16.788 1.00 0.00 H new ATOM 0 HG3 MET A 56 0.480 1.774 -15.045 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.179 5.354 -15.405 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.702 3.705 -14.988 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.549 4.514 -14.015 1.00 0.00 H new ATOM 776 N GLU A 57 1.123 0.200 -12.888 1.00 0.00 N ATOM 777 CA GLU A 57 0.325 -0.786 -12.168 1.00 0.00 C ATOM 778 C GLU A 57 -1.117 -0.789 -12.667 1.00 0.00 C ATOM 779 O GLU A 57 -1.627 0.230 -13.135 1.00 0.00 O ATOM 780 CB GLU A 57 0.355 -0.500 -10.665 1.00 0.00 C ATOM 781 CG GLU A 57 -0.909 -0.929 -9.938 1.00 0.00 C ATOM 782 CD GLU A 57 -0.728 -0.979 -8.434 1.00 0.00 C ATOM 783 OE1 GLU A 57 -0.348 0.057 -7.848 1.00 0.00 O ATOM 784 OE2 GLU A 57 -0.966 -2.053 -7.842 1.00 0.00 O ATOM 0 H GLU A 57 0.849 1.168 -12.721 1.00 0.00 H new ATOM 0 HA GLU A 57 0.757 -1.770 -12.353 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.210 -1.012 -10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.508 0.568 -10.510 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.716 -0.237 -10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.214 -1.912 -10.296 1.00 0.00 H new ATOM 791 N THR A 58 -1.770 -1.943 -12.566 1.00 0.00 N ATOM 792 CA THR A 58 -3.151 -2.080 -13.008 1.00 0.00 C ATOM 793 C THR A 58 -4.073 -2.410 -11.840 1.00 0.00 C ATOM 794 O THR A 58 -3.797 -3.320 -11.057 1.00 0.00 O ATOM 795 CB THR A 58 -3.291 -3.176 -14.082 1.00 0.00 C ATOM 796 OG1 THR A 58 -2.361 -2.942 -15.145 1.00 0.00 O ATOM 797 CG2 THR A 58 -4.706 -3.211 -14.638 1.00 0.00 C ATOM 0 H THR A 58 -1.364 -2.796 -12.182 1.00 0.00 H new ATOM 0 HA THR A 58 -3.441 -1.121 -13.437 1.00 0.00 H new ATOM 0 HB THR A 58 -3.076 -4.138 -13.617 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.455 -3.644 -15.822 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.781 -3.992 -15.394 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.409 -3.419 -13.831 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.944 -2.247 -15.088 1.00 0.00 H new ATOM 805 N ILE A 59 -5.167 -1.665 -11.727 1.00 0.00 N ATOM 806 CA ILE A 59 -6.130 -1.880 -10.654 1.00 0.00 C ATOM 807 C ILE A 59 -7.433 -2.461 -11.192 1.00 0.00 C ATOM 808 O ILE A 59 -8.298 -1.730 -11.674 1.00 0.00 O ATOM 809 CB ILE A 59 -6.436 -0.572 -9.902 1.00 0.00 C ATOM 810 CG1 ILE A 59 -5.136 0.136 -9.514 1.00 0.00 C ATOM 811 CG2 ILE A 59 -7.280 -0.855 -8.667 1.00 0.00 C ATOM 812 CD1 ILE A 59 -4.511 0.916 -10.649 1.00 0.00 C ATOM 0 H ILE A 59 -5.409 -0.907 -12.365 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.677 -2.590 -9.962 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.002 0.085 -10.563 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.335 0.814 -8.684 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.421 -0.605 -9.156 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.488 0.080 -8.146 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -8.219 -1.320 -8.967 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.738 -1.528 -8.002 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.594 1.391 -10.302 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.280 0.239 -11.472 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.208 1.680 -10.992 1.00 0.00 H new ATOM 824 N ASN A 60 -7.567 -3.780 -11.106 1.00 0.00 N ATOM 825 CA ASN A 60 -8.766 -4.460 -11.584 1.00 0.00 C ATOM 826 C ASN A 60 -9.910 -4.310 -10.586 1.00 0.00 C ATOM 827 O ASN A 60 -9.924 -4.956 -9.537 1.00 0.00 O ATOM 828 CB ASN A 60 -8.475 -5.943 -11.824 1.00 0.00 C ATOM 829 CG ASN A 60 -7.051 -6.185 -12.287 1.00 0.00 C ATOM 830 OD1 ASN A 60 -6.182 -6.546 -11.494 1.00 0.00 O ATOM 831 ND2 ASN A 60 -6.806 -5.986 -13.577 1.00 0.00 N ATOM 0 H ASN A 60 -6.860 -4.400 -10.710 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.065 -3.998 -12.525 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.655 -6.499 -10.904 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.168 -6.330 -12.571 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.867 -6.133 -13.946 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.557 -5.687 -14.199 1.00 0.00 H new ATOM 838 N THR A 61 -10.871 -3.454 -10.919 1.00 0.00 N ATOM 839 CA THR A 61 -12.019 -3.218 -10.054 1.00 0.00 C ATOM 840 C THR A 61 -13.325 -3.324 -10.832 1.00 0.00 C ATOM 841 O THR A 61 -13.625 -2.482 -11.678 1.00 0.00 O ATOM 842 CB THR A 61 -11.944 -1.832 -9.385 1.00 0.00 C ATOM 843 OG1 THR A 61 -13.209 -1.500 -8.803 1.00 0.00 O ATOM 844 CG2 THR A 61 -11.548 -0.765 -10.395 1.00 0.00 C ATOM 0 H THR A 61 -10.876 -2.912 -11.783 1.00 0.00 H new ATOM 0 HA THR A 61 -11.996 -3.987 -9.282 1.00 0.00 H new ATOM 0 HB THR A 61 -11.185 -1.870 -8.604 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.153 -0.618 -8.379 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.501 0.205 -9.900 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.571 -1.006 -10.814 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.287 -0.729 -11.195 1.00 0.00 H new ATOM 852 N GLY A 62 -14.101 -4.364 -10.540 1.00 0.00 N ATOM 853 CA GLY A 62 -15.367 -4.560 -11.222 1.00 0.00 C ATOM 854 C GLY A 62 -15.194 -4.793 -12.709 1.00 0.00 C ATOM 855 O GLY A 62 -14.165 -5.291 -13.166 1.00 0.00 O ATOM 0 H GLY A 62 -13.875 -5.074 -9.843 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.885 -5.412 -10.782 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.000 -3.686 -11.065 1.00 0.00 H new ATOM 859 N PRO A 63 -16.221 -4.429 -13.492 1.00 0.00 N ATOM 860 CA PRO A 63 -16.203 -4.593 -14.949 1.00 0.00 C ATOM 861 C PRO A 63 -15.222 -3.643 -15.627 1.00 0.00 C ATOM 862 O PRO A 63 -15.059 -3.669 -16.847 1.00 0.00 O ATOM 863 CB PRO A 63 -17.639 -4.262 -15.361 1.00 0.00 C ATOM 864 CG PRO A 63 -18.147 -3.369 -14.282 1.00 0.00 C ATOM 865 CD PRO A 63 -17.479 -3.829 -13.016 1.00 0.00 C ATOM 0 HA PRO A 63 -15.880 -5.592 -15.243 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.668 -3.766 -16.331 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.244 -5.164 -15.446 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.908 -2.327 -14.493 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.232 -3.436 -14.198 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.295 -2.999 -12.334 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -18.091 -4.553 -12.479 1.00 0.00 H new ATOM 873 N PHE A 64 -14.569 -2.804 -14.828 1.00 0.00 N ATOM 874 CA PHE A 64 -13.604 -1.845 -15.352 1.00 0.00 C ATOM 875 C PHE A 64 -12.250 -2.007 -14.667 1.00 0.00 C ATOM 876 O PHE A 64 -12.106 -2.791 -13.729 1.00 0.00 O ATOM 877 CB PHE A 64 -14.117 -0.417 -15.161 1.00 0.00 C ATOM 878 CG PHE A 64 -14.897 -0.225 -13.891 1.00 0.00 C ATOM 879 CD1 PHE A 64 -14.246 -0.102 -12.674 1.00 0.00 C ATOM 880 CD2 PHE A 64 -16.281 -0.167 -13.915 1.00 0.00 C ATOM 881 CE1 PHE A 64 -14.961 0.073 -11.505 1.00 0.00 C ATOM 882 CE2 PHE A 64 -17.002 0.009 -12.749 1.00 0.00 C ATOM 883 CZ PHE A 64 -16.341 0.130 -11.542 1.00 0.00 C ATOM 0 H PHE A 64 -14.691 -2.769 -13.816 1.00 0.00 H new ATOM 0 HA PHE A 64 -13.478 -2.039 -16.417 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -13.270 0.269 -15.165 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -14.747 -0.149 -16.009 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -13.167 -0.143 -12.639 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -16.803 -0.260 -14.856 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -14.442 0.165 -10.563 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -18.081 0.052 -12.781 1.00 0.00 H new ATOM 0 HZ PHE A 64 -16.902 0.269 -10.629 1.00 0.00 H new ATOM 893 N VAL A 65 -11.259 -1.260 -15.144 1.00 0.00 N ATOM 894 CA VAL A 65 -9.917 -1.319 -14.578 1.00 0.00 C ATOM 895 C VAL A 65 -9.238 0.045 -14.628 1.00 0.00 C ATOM 896 O VAL A 65 -9.346 0.767 -15.619 1.00 0.00 O ATOM 897 CB VAL A 65 -9.039 -2.344 -15.321 1.00 0.00 C ATOM 898 CG1 VAL A 65 -9.105 -2.114 -16.823 1.00 0.00 C ATOM 899 CG2 VAL A 65 -7.603 -2.274 -14.825 1.00 0.00 C ATOM 0 H VAL A 65 -11.361 -0.607 -15.921 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.026 -1.629 -13.539 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.422 -3.343 -15.114 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.479 -2.847 -17.331 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.135 -2.219 -17.162 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.748 -1.110 -17.053 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.997 -3.005 -15.361 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.206 -1.274 -15.001 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.576 -2.493 -13.758 1.00 0.00 H new ATOM 909 N MET A 66 -8.539 0.393 -13.553 1.00 0.00 N ATOM 910 CA MET A 66 -7.841 1.671 -13.475 1.00 0.00 C ATOM 911 C MET A 66 -6.352 1.494 -13.753 1.00 0.00 C ATOM 912 O MET A 66 -5.853 0.371 -13.824 1.00 0.00 O ATOM 913 CB MET A 66 -8.044 2.304 -12.097 1.00 0.00 C ATOM 914 CG MET A 66 -9.433 2.078 -11.523 1.00 0.00 C ATOM 915 SD MET A 66 -10.668 3.179 -12.241 1.00 0.00 S ATOM 916 CE MET A 66 -11.989 2.021 -12.593 1.00 0.00 C ATOM 0 H MET A 66 -8.441 -0.192 -12.723 1.00 0.00 H new ATOM 0 HA MET A 66 -8.258 2.332 -14.235 1.00 0.00 H new ATOM 0 HB2 MET A 66 -7.304 1.898 -11.407 1.00 0.00 H new ATOM 0 HB3 MET A 66 -7.859 3.376 -12.168 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.730 1.043 -11.696 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.404 2.225 -10.443 1.00 0.00 H new ATOM 0 HE1 MET A 66 -12.725 2.495 -13.243 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.579 1.142 -13.090 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.468 1.721 -11.661 1.00 0.00 H new ATOM 926 N ARG A 67 -5.647 2.611 -13.909 1.00 0.00 N ATOM 927 CA ARG A 67 -4.215 2.578 -14.180 1.00 0.00 C ATOM 928 C ARG A 67 -3.483 3.637 -13.361 1.00 0.00 C ATOM 929 O ARG A 67 -3.690 4.836 -13.550 1.00 0.00 O ATOM 930 CB ARG A 67 -3.952 2.800 -15.671 1.00 0.00 C ATOM 931 CG ARG A 67 -4.294 1.597 -16.535 1.00 0.00 C ATOM 932 CD ARG A 67 -3.101 0.667 -16.692 1.00 0.00 C ATOM 933 NE ARG A 67 -3.332 -0.352 -17.712 1.00 0.00 N ATOM 934 CZ ARG A 67 -3.262 -0.115 -19.017 1.00 0.00 C ATOM 935 NH1 ARG A 67 -2.968 1.100 -19.458 1.00 0.00 N ATOM 936 NH2 ARG A 67 -3.485 -1.095 -19.884 1.00 0.00 N ATOM 0 H ARG A 67 -6.044 3.549 -13.852 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.838 1.596 -13.893 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.533 3.657 -16.010 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.901 3.051 -15.813 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.126 1.052 -16.089 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.625 1.935 -17.517 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.219 1.250 -16.956 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.890 0.184 -15.738 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.560 -1.298 -17.405 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.795 1.855 -18.795 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.915 1.280 -20.461 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.710 -2.031 -19.548 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.431 -0.912 -20.886 1.00 0.00 H new ATOM 950 N SER A 68 -2.627 3.185 -12.450 1.00 0.00 N ATOM 951 CA SER A 68 -1.867 4.093 -11.599 1.00 0.00 C ATOM 952 C SER A 68 -0.420 3.627 -11.462 1.00 0.00 C ATOM 953 O SER A 68 -0.133 2.431 -11.508 1.00 0.00 O ATOM 954 CB SER A 68 -2.515 4.192 -10.216 1.00 0.00 C ATOM 955 OG SER A 68 -2.141 5.393 -9.563 1.00 0.00 O ATOM 0 H SER A 68 -2.443 2.196 -12.282 1.00 0.00 H new ATOM 0 HA SER A 68 -1.871 5.078 -12.066 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.600 4.151 -10.315 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.218 3.337 -9.609 1.00 0.00 H new ATOM 0 HG SER A 68 -2.569 5.434 -8.682 1.00 0.00 H new ATOM 961 N THR A 69 0.489 4.583 -11.295 1.00 0.00 N ATOM 962 CA THR A 69 1.906 4.273 -11.154 1.00 0.00 C ATOM 963 C THR A 69 2.123 3.132 -10.166 1.00 0.00 C ATOM 964 O THR A 69 1.502 3.090 -9.104 1.00 0.00 O ATOM 965 CB THR A 69 2.706 5.502 -10.685 1.00 0.00 C ATOM 966 OG1 THR A 69 2.566 6.568 -11.631 1.00 0.00 O ATOM 967 CG2 THR A 69 4.178 5.158 -10.516 1.00 0.00 C ATOM 0 H THR A 69 0.269 5.578 -11.254 1.00 0.00 H new ATOM 0 HA THR A 69 2.263 3.971 -12.139 1.00 0.00 H new ATOM 0 HB THR A 69 2.310 5.818 -9.720 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.076 7.346 -11.325 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.722 6.042 -10.184 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.284 4.367 -9.774 1.00 0.00 H new ATOM 0 HG23 THR A 69 4.584 4.818 -11.469 1.00 0.00 H new ATOM 975 N CYS A 70 3.010 2.208 -10.522 1.00 0.00 N ATOM 976 CA CYS A 70 3.310 1.066 -9.667 1.00 0.00 C ATOM 977 C CYS A 70 3.690 1.524 -8.262 1.00 0.00 C ATOM 978 O CYS A 70 4.105 2.665 -8.061 1.00 0.00 O ATOM 979 CB CYS A 70 4.445 0.236 -10.270 1.00 0.00 C ATOM 980 SG CYS A 70 4.532 -1.472 -9.640 1.00 0.00 S ATOM 0 H CYS A 70 3.533 2.228 -11.397 1.00 0.00 H new ATOM 0 HA CYS A 70 2.414 0.449 -9.599 1.00 0.00 H new ATOM 0 HB2 CYS A 70 4.324 0.207 -11.353 1.00 0.00 H new ATOM 0 HB3 CYS A 70 5.393 0.735 -10.068 1.00 0.00 H new ATOM 0 HG CYS A 70 5.243 -2.198 -10.451 1.00 0.00 H new ATOM 985 N ARG A 71 3.545 0.625 -7.294 1.00 0.00 N ATOM 986 CA ARG A 71 3.872 0.936 -5.907 1.00 0.00 C ATOM 987 C ARG A 71 4.997 0.039 -5.400 1.00 0.00 C ATOM 988 O ARG A 71 5.781 0.438 -4.538 1.00 0.00 O ATOM 989 CB ARG A 71 2.636 0.774 -5.020 1.00 0.00 C ATOM 990 CG ARG A 71 2.038 -0.623 -5.060 1.00 0.00 C ATOM 991 CD ARG A 71 2.662 -1.526 -4.008 1.00 0.00 C ATOM 992 NE ARG A 71 2.273 -1.140 -2.654 1.00 0.00 N ATOM 993 CZ ARG A 71 1.121 -1.490 -2.092 1.00 0.00 C ATOM 994 NH1 ARG A 71 0.250 -2.230 -2.764 1.00 0.00 N ATOM 995 NH2 ARG A 71 0.839 -1.099 -0.856 1.00 0.00 N ATOM 0 H ARG A 71 3.203 -0.324 -7.444 1.00 0.00 H new ATOM 0 HA ARG A 71 4.208 1.972 -5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.903 1.017 -3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.879 1.494 -5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.962 -0.564 -4.898 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.189 -1.056 -6.049 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.361 -2.558 -4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.748 -1.490 -4.097 1.00 0.00 H new ATOM 0 HE ARG A 71 2.921 -0.571 -2.110 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.464 -2.532 -3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.634 -2.497 -2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.507 -0.529 -0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.046 -1.368 -0.425 1.00 0.00 H new ATOM 1009 N ARG A 72 5.069 -1.173 -5.939 1.00 0.00 N ATOM 1010 CA ARG A 72 6.097 -2.127 -5.539 1.00 0.00 C ATOM 1011 C ARG A 72 7.486 -1.616 -5.908 1.00 0.00 C ATOM 1012 O ARG A 72 8.403 -1.628 -5.085 1.00 0.00 O ATOM 1013 CB ARG A 72 5.849 -3.484 -6.202 1.00 0.00 C ATOM 1014 CG ARG A 72 4.719 -4.276 -5.564 1.00 0.00 C ATOM 1015 CD ARG A 72 5.113 -4.802 -4.193 1.00 0.00 C ATOM 1016 NE ARG A 72 5.838 -6.067 -4.280 1.00 0.00 N ATOM 1017 CZ ARG A 72 6.609 -6.540 -3.307 1.00 0.00 C ATOM 1018 NH1 ARG A 72 6.754 -5.858 -2.180 1.00 0.00 N ATOM 1019 NH2 ARG A 72 7.236 -7.700 -3.461 1.00 0.00 N ATOM 0 H ARG A 72 4.428 -1.518 -6.654 1.00 0.00 H new ATOM 0 HA ARG A 72 6.047 -2.244 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.622 -3.328 -7.256 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.765 -4.073 -6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.836 -3.643 -5.472 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.447 -5.110 -6.211 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.733 -4.063 -3.686 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.218 -4.938 -3.586 1.00 0.00 H new ATOM 0 HE ARG A 72 5.747 -6.617 -5.134 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.273 -4.967 -2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.347 -6.224 -1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.126 -8.228 -4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.828 -8.063 -2.714 1.00 0.00 H new ATOM 1033 N CYS A 73 7.636 -1.167 -7.149 1.00 0.00 N ATOM 1034 CA CYS A 73 8.913 -0.652 -7.628 1.00 0.00 C ATOM 1035 C CYS A 73 8.978 0.866 -7.480 1.00 0.00 C ATOM 1036 O CYS A 73 9.994 1.416 -7.058 1.00 0.00 O ATOM 1037 CB CYS A 73 9.128 -1.042 -9.092 1.00 0.00 C ATOM 1038 SG CYS A 73 7.843 -0.418 -10.223 1.00 0.00 S ATOM 0 H CYS A 73 6.888 -1.149 -7.842 1.00 0.00 H new ATOM 0 HA CYS A 73 9.704 -1.093 -7.022 1.00 0.00 H new ATOM 0 HB2 CYS A 73 10.098 -0.667 -9.418 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.166 -2.129 -9.166 1.00 0.00 H new ATOM 0 HG CYS A 73 6.701 -0.964 -9.926 1.00 0.00 H new ATOM 1043 N GLY A 74 7.884 1.536 -7.830 1.00 0.00 N ATOM 1044 CA GLY A 74 7.837 2.983 -7.728 1.00 0.00 C ATOM 1045 C GLY A 74 7.915 3.662 -9.081 1.00 0.00 C ATOM 1046 O GLY A 74 8.305 4.825 -9.179 1.00 0.00 O ATOM 0 H GLY A 74 7.030 1.103 -8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.914 3.279 -7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.662 3.327 -7.104 1.00 0.00 H new ATOM 1050 N GLY A 75 7.544 2.933 -10.130 1.00 0.00 N ATOM 1051 CA GLY A 75 7.583 3.488 -11.470 1.00 0.00 C ATOM 1052 C GLY A 75 8.949 3.353 -12.114 1.00 0.00 C ATOM 1053 O GLY A 75 9.377 4.228 -12.867 1.00 0.00 O ATOM 0 H GLY A 75 7.217 1.968 -10.075 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.841 2.985 -12.090 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.305 4.541 -11.432 1.00 0.00 H new ATOM 1057 N ARG A 76 9.635 2.254 -11.818 1.00 0.00 N ATOM 1058 CA ARG A 76 10.961 2.009 -12.371 1.00 0.00 C ATOM 1059 C ARG A 76 11.008 0.667 -13.096 1.00 0.00 C ATOM 1060 O ARG A 76 11.590 0.552 -14.174 1.00 0.00 O ATOM 1061 CB ARG A 76 12.013 2.038 -11.262 1.00 0.00 C ATOM 1062 CG ARG A 76 13.302 1.318 -11.625 1.00 0.00 C ATOM 1063 CD ARG A 76 14.451 1.745 -10.725 1.00 0.00 C ATOM 1064 NE ARG A 76 15.473 0.707 -10.613 1.00 0.00 N ATOM 1065 CZ ARG A 76 16.740 0.954 -10.300 1.00 0.00 C ATOM 1066 NH1 ARG A 76 17.139 2.197 -10.069 1.00 0.00 N ATOM 1067 NH2 ARG A 76 17.611 -0.043 -10.218 1.00 0.00 N ATOM 0 H ARG A 76 9.294 1.519 -11.198 1.00 0.00 H new ATOM 0 HA ARG A 76 11.179 2.799 -13.090 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.243 3.075 -11.018 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.594 1.584 -10.364 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.154 0.241 -11.542 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.556 1.526 -12.664 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.901 2.656 -11.119 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.066 1.983 -9.734 1.00 0.00 H new ATOM 0 HE ARG A 76 15.199 -0.260 -10.785 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.472 2.967 -10.131 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.113 2.384 -9.829 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.308 -1.001 -10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.584 0.148 -9.978 1.00 0.00 H new ATOM 1081 N GLY A 77 10.391 -0.347 -12.496 1.00 0.00 N ATOM 1082 CA GLY A 77 10.375 -1.667 -13.098 1.00 0.00 C ATOM 1083 C GLY A 77 11.137 -2.688 -12.277 1.00 0.00 C ATOM 1084 O GLY A 77 11.217 -3.859 -12.649 1.00 0.00 O ATOM 0 H GLY A 77 9.902 -0.277 -11.604 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.343 -1.997 -13.215 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.808 -1.613 -14.097 1.00 0.00 H new ATOM 1088 N SER A 78 11.700 -2.244 -11.159 1.00 0.00 N ATOM 1089 CA SER A 78 12.465 -3.126 -10.285 1.00 0.00 C ATOM 1090 C SER A 78 12.355 -2.681 -8.830 1.00 0.00 C ATOM 1091 O SER A 78 12.147 -1.501 -8.546 1.00 0.00 O ATOM 1092 CB SER A 78 13.934 -3.153 -10.712 1.00 0.00 C ATOM 1093 OG SER A 78 14.063 -3.528 -12.073 1.00 0.00 O ATOM 0 H SER A 78 11.641 -1.278 -10.836 1.00 0.00 H new ATOM 0 HA SER A 78 12.050 -4.130 -10.371 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.379 -2.170 -10.559 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.485 -3.853 -10.085 1.00 0.00 H new ATOM 0 HG SER A 78 15.011 -3.536 -12.322 1.00 0.00 H new ATOM 1099 N ILE A 79 12.495 -3.633 -7.914 1.00 0.00 N ATOM 1100 CA ILE A 79 12.412 -3.339 -6.489 1.00 0.00 C ATOM 1101 C ILE A 79 13.794 -3.076 -5.901 1.00 0.00 C ATOM 1102 O ILE A 79 14.548 -4.009 -5.621 1.00 0.00 O ATOM 1103 CB ILE A 79 11.747 -4.492 -5.714 1.00 0.00 C ATOM 1104 CG1 ILE A 79 10.354 -4.778 -6.279 1.00 0.00 C ATOM 1105 CG2 ILE A 79 11.666 -4.157 -4.233 1.00 0.00 C ATOM 1106 CD1 ILE A 79 10.346 -5.833 -7.363 1.00 0.00 C ATOM 0 H ILE A 79 12.666 -4.614 -8.133 1.00 0.00 H new ATOM 0 HA ILE A 79 11.800 -2.443 -6.387 1.00 0.00 H new ATOM 0 HB ILE A 79 12.356 -5.388 -5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.700 -5.098 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.937 -3.854 -6.679 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.194 -4.981 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.670 -3.998 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.076 -3.251 -4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.326 -5.984 -7.716 1.00 0.00 H new ATOM 0 HD12 ILE A 79 10.973 -5.507 -8.193 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.733 -6.770 -6.962 1.00 0.00 H new ATOM 1118 N ILE A 80 14.119 -1.801 -5.714 1.00 0.00 N ATOM 1119 CA ILE A 80 15.410 -1.416 -5.156 1.00 0.00 C ATOM 1120 C ILE A 80 15.458 -1.676 -3.654 1.00 0.00 C ATOM 1121 O ILE A 80 14.710 -1.072 -2.885 1.00 0.00 O ATOM 1122 CB ILE A 80 15.716 0.070 -5.418 1.00 0.00 C ATOM 1123 CG1 ILE A 80 15.761 0.346 -6.923 1.00 0.00 C ATOM 1124 CG2 ILE A 80 17.031 0.464 -4.762 1.00 0.00 C ATOM 1125 CD1 ILE A 80 15.325 1.746 -7.294 1.00 0.00 C ATOM 0 H ILE A 80 13.507 -1.017 -5.941 1.00 0.00 H new ATOM 0 HA ILE A 80 16.164 -2.027 -5.653 1.00 0.00 H new ATOM 0 HB ILE A 80 14.920 0.672 -4.981 1.00 0.00 H new ATOM 0 HG12 ILE A 80 16.777 0.183 -7.284 1.00 0.00 H new ATOM 0 HG13 ILE A 80 15.121 -0.373 -7.435 1.00 0.00 H new ATOM 0 HG21 ILE A 80 17.233 1.517 -4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 80 16.965 0.300 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 80 17.838 -0.142 -5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.382 1.870 -8.375 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.299 1.907 -6.964 1.00 0.00 H new ATOM 0 HD13 ILE A 80 15.980 2.471 -6.810 1.00 0.00 H new ATOM 1137 N ILE A 81 16.344 -2.577 -3.243 1.00 0.00 N ATOM 1138 CA ILE A 81 16.492 -2.915 -1.833 1.00 0.00 C ATOM 1139 C ILE A 81 17.035 -1.732 -1.039 1.00 0.00 C ATOM 1140 O ILE A 81 16.627 -1.494 0.098 1.00 0.00 O ATOM 1141 CB ILE A 81 17.429 -4.122 -1.638 1.00 0.00 C ATOM 1142 CG1 ILE A 81 16.732 -5.412 -2.078 1.00 0.00 C ATOM 1143 CG2 ILE A 81 17.871 -4.221 -0.186 1.00 0.00 C ATOM 1144 CD1 ILE A 81 16.881 -5.706 -3.554 1.00 0.00 C ATOM 0 H ILE A 81 16.970 -3.086 -3.867 1.00 0.00 H new ATOM 0 HA ILE A 81 15.499 -3.173 -1.465 1.00 0.00 H new ATOM 0 HB ILE A 81 18.315 -3.980 -2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 81 17.137 -6.247 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 81 15.672 -5.344 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 81 18.532 -5.079 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 81 18.401 -3.311 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 81 16.997 -4.344 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 81 16.362 -6.634 -3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 81 16.450 -4.889 -4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 81 17.938 -5.807 -3.800 1.00 0.00 H new ATOM 1156 N SER A 82 17.957 -0.991 -1.646 1.00 0.00 N ATOM 1157 CA SER A 82 18.557 0.167 -0.995 1.00 0.00 C ATOM 1158 C SER A 82 18.346 1.428 -1.828 1.00 0.00 C ATOM 1159 O SER A 82 18.991 1.640 -2.855 1.00 0.00 O ATOM 1160 CB SER A 82 20.053 -0.065 -0.772 1.00 0.00 C ATOM 1161 OG SER A 82 20.496 0.572 0.414 1.00 0.00 O ATOM 0 H SER A 82 18.304 -1.172 -2.588 1.00 0.00 H new ATOM 0 HA SER A 82 18.069 0.303 -0.030 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.253 -1.135 -0.711 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.615 0.316 -1.625 1.00 0.00 H new ATOM 0 HG SER A 82 21.454 0.408 0.535 1.00 0.00 H new ATOM 1167 N PRO A 83 17.421 2.287 -1.375 1.00 0.00 N ATOM 1168 CA PRO A 83 17.103 3.543 -2.062 1.00 0.00 C ATOM 1169 C PRO A 83 18.235 4.560 -1.965 1.00 0.00 C ATOM 1170 O PRO A 83 18.782 4.794 -0.887 1.00 0.00 O ATOM 1171 CB PRO A 83 15.864 4.049 -1.319 1.00 0.00 C ATOM 1172 CG PRO A 83 15.959 3.439 0.037 1.00 0.00 C ATOM 1173 CD PRO A 83 16.614 2.099 -0.158 1.00 0.00 C ATOM 0 HA PRO A 83 16.946 3.395 -3.130 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.853 5.138 -1.263 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.948 3.746 -1.826 1.00 0.00 H new ATOM 0 HG2 PRO A 83 16.546 4.067 0.707 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.972 3.329 0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 83 17.233 1.826 0.697 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.877 1.306 -0.283 1.00 0.00 H new ATOM 1181 N CYS A 84 18.582 5.161 -3.098 1.00 0.00 N ATOM 1182 CA CYS A 84 19.649 6.153 -3.142 1.00 0.00 C ATOM 1183 C CYS A 84 19.671 6.986 -1.863 1.00 0.00 C ATOM 1184 O CYS A 84 18.644 7.165 -1.208 1.00 0.00 O ATOM 1185 CB CYS A 84 19.475 7.068 -4.356 1.00 0.00 C ATOM 1186 SG CYS A 84 20.945 8.068 -4.751 1.00 0.00 S ATOM 0 H CYS A 84 18.139 4.978 -3.999 1.00 0.00 H new ATOM 0 HA CYS A 84 20.598 5.624 -3.227 1.00 0.00 H new ATOM 0 HB2 CYS A 84 19.220 6.459 -5.223 1.00 0.00 H new ATOM 0 HB3 CYS A 84 18.632 7.736 -4.176 1.00 0.00 H new ATOM 0 HG CYS A 84 20.960 8.334 -6.023 1.00 0.00 H new ATOM 1191 N VAL A 85 20.849 7.492 -1.513 1.00 0.00 N ATOM 1192 CA VAL A 85 21.005 8.307 -0.314 1.00 0.00 C ATOM 1193 C VAL A 85 21.173 9.780 -0.668 1.00 0.00 C ATOM 1194 O VAL A 85 21.314 10.630 0.211 1.00 0.00 O ATOM 1195 CB VAL A 85 22.216 7.850 0.521 1.00 0.00 C ATOM 1196 CG1 VAL A 85 22.149 6.354 0.786 1.00 0.00 C ATOM 1197 CG2 VAL A 85 23.515 8.218 -0.180 1.00 0.00 C ATOM 0 H VAL A 85 21.709 7.352 -2.043 1.00 0.00 H new ATOM 0 HA VAL A 85 20.097 8.180 0.275 1.00 0.00 H new ATOM 0 HB VAL A 85 22.189 8.366 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 85 23.013 6.050 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 85 21.235 6.122 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 85 22.151 5.816 -0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 85 24.360 7.888 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 85 23.553 7.731 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 85 23.564 9.299 -0.312 1.00 0.00 H new ATOM 1207 N VAL A 86 21.155 10.077 -1.964 1.00 0.00 N ATOM 1208 CA VAL A 86 21.303 11.449 -2.436 1.00 0.00 C ATOM 1209 C VAL A 86 19.962 12.028 -2.870 1.00 0.00 C ATOM 1210 O VAL A 86 19.643 13.178 -2.567 1.00 0.00 O ATOM 1211 CB VAL A 86 22.292 11.533 -3.614 1.00 0.00 C ATOM 1212 CG1 VAL A 86 21.866 12.616 -4.593 1.00 0.00 C ATOM 1213 CG2 VAL A 86 23.704 11.787 -3.107 1.00 0.00 C ATOM 0 H VAL A 86 21.039 9.386 -2.705 1.00 0.00 H new ATOM 0 HA VAL A 86 21.693 12.031 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 86 22.285 10.578 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 86 22.577 12.660 -5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 86 20.874 12.386 -4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 86 21.842 13.579 -4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 86 24.390 11.843 -3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 86 23.729 12.727 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.006 10.973 -2.449 1.00 0.00 H new ATOM 1223 N CYS A 87 19.179 11.225 -3.582 1.00 0.00 N ATOM 1224 CA CYS A 87 17.871 11.656 -4.059 1.00 0.00 C ATOM 1225 C CYS A 87 16.759 10.827 -3.422 1.00 0.00 C ATOM 1226 O CYS A 87 15.595 11.228 -3.420 1.00 0.00 O ATOM 1227 CB CYS A 87 17.797 11.543 -5.583 1.00 0.00 C ATOM 1228 SG CYS A 87 17.946 9.839 -6.210 1.00 0.00 S ATOM 0 H CYS A 87 19.428 10.271 -3.842 1.00 0.00 H new ATOM 0 HA CYS A 87 17.733 12.698 -3.772 1.00 0.00 H new ATOM 0 HB2 CYS A 87 16.850 11.962 -5.922 1.00 0.00 H new ATOM 0 HB3 CYS A 87 18.589 12.150 -6.021 1.00 0.00 H new ATOM 0 HG CYS A 87 18.925 9.775 -7.063 1.00 0.00 H new ATOM 1233 N ARG A 88 17.126 9.670 -2.883 1.00 0.00 N ATOM 1234 CA ARG A 88 16.161 8.784 -2.244 1.00 0.00 C ATOM 1235 C ARG A 88 15.170 8.232 -3.265 1.00 0.00 C ATOM 1236 O ARG A 88 13.958 8.295 -3.066 1.00 0.00 O ATOM 1237 CB ARG A 88 15.409 9.526 -1.138 1.00 0.00 C ATOM 1238 CG ARG A 88 16.100 9.466 0.215 1.00 0.00 C ATOM 1239 CD ARG A 88 17.527 9.985 0.135 1.00 0.00 C ATOM 1240 NE ARG A 88 17.955 10.602 1.387 1.00 0.00 N ATOM 1241 CZ ARG A 88 18.406 9.914 2.430 1.00 0.00 C ATOM 1242 NH1 ARG A 88 18.487 8.591 2.370 1.00 0.00 N ATOM 1243 NH2 ARG A 88 18.778 10.547 3.535 1.00 0.00 N ATOM 0 H ARG A 88 18.085 9.324 -2.876 1.00 0.00 H new ATOM 0 HA ARG A 88 16.708 7.949 -1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.289 10.570 -1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 88 14.408 9.104 -1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.537 10.056 0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 88 16.105 8.438 0.577 1.00 0.00 H new ATOM 0 HD2 ARG A 88 18.199 9.163 -0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.603 10.713 -0.673 1.00 0.00 H new ATOM 0 HE ARG A 88 17.905 11.618 1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 88 18.203 8.101 1.522 1.00 0.00 H new ATOM 0 HH12 ARG A 88 18.834 8.064 3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.718 11.564 3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 88 19.124 10.017 4.335 1.00 0.00 H new ATOM 1257 N GLY A 89 15.696 7.693 -4.361 1.00 0.00 N ATOM 1258 CA GLY A 89 14.844 7.140 -5.398 1.00 0.00 C ATOM 1259 C GLY A 89 13.976 8.192 -6.058 1.00 0.00 C ATOM 1260 O GLY A 89 12.802 7.951 -6.338 1.00 0.00 O ATOM 0 H GLY A 89 16.696 7.629 -4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.464 6.658 -6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.208 6.367 -4.967 1.00 0.00 H new ATOM 1264 N ALA A 90 14.553 9.363 -6.305 1.00 0.00 N ATOM 1265 CA ALA A 90 13.824 10.456 -6.937 1.00 0.00 C ATOM 1266 C ALA A 90 14.222 10.608 -8.401 1.00 0.00 C ATOM 1267 O ALA A 90 13.392 10.928 -9.250 1.00 0.00 O ATOM 1268 CB ALA A 90 14.066 11.756 -6.184 1.00 0.00 C ATOM 0 H ALA A 90 15.523 9.579 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 90 12.761 10.220 -6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.516 12.564 -6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.725 11.649 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.131 11.988 -6.191 1.00 0.00 H new ATOM 1274 N GLY A 91 15.500 10.377 -8.689 1.00 0.00 N ATOM 1275 CA GLY A 91 15.985 10.494 -10.052 1.00 0.00 C ATOM 1276 C GLY A 91 16.670 11.821 -10.311 1.00 0.00 C ATOM 1277 O GLY A 91 17.347 11.989 -11.325 1.00 0.00 O ATOM 0 H GLY A 91 16.207 10.111 -8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.683 9.682 -10.257 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.150 10.379 -10.743 1.00 0.00 H new ATOM 1281 N GLN A 92 16.494 12.765 -9.393 1.00 0.00 N ATOM 1282 CA GLN A 92 17.099 14.085 -9.529 1.00 0.00 C ATOM 1283 C GLN A 92 17.586 14.603 -8.179 1.00 0.00 C ATOM 1284 O GLN A 92 17.037 14.253 -7.135 1.00 0.00 O ATOM 1285 CB GLN A 92 16.096 15.069 -10.134 1.00 0.00 C ATOM 1286 CG GLN A 92 15.929 14.920 -11.638 1.00 0.00 C ATOM 1287 CD GLN A 92 15.013 13.771 -12.012 1.00 0.00 C ATOM 1288 OE1 GLN A 92 15.451 12.776 -12.589 1.00 0.00 O ATOM 1289 NE2 GLN A 92 13.733 13.904 -11.684 1.00 0.00 N ATOM 0 H GLN A 92 15.938 12.641 -8.547 1.00 0.00 H new ATOM 0 HA GLN A 92 17.958 13.996 -10.195 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.128 14.929 -9.654 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.418 16.086 -9.912 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.529 15.847 -12.049 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.906 14.764 -12.095 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.414 14.747 -11.206 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.069 13.163 -11.910 1.00 0.00 H new ATOM 1298 N ALA A 93 18.620 15.437 -8.209 1.00 0.00 N ATOM 1299 CA ALA A 93 19.180 16.004 -6.989 1.00 0.00 C ATOM 1300 C ALA A 93 19.731 17.404 -7.236 1.00 0.00 C ATOM 1301 O ALA A 93 19.703 17.904 -8.361 1.00 0.00 O ATOM 1302 CB ALA A 93 20.268 15.096 -6.436 1.00 0.00 C ATOM 0 H ALA A 93 19.087 15.735 -9.065 1.00 0.00 H new ATOM 0 HA ALA A 93 18.379 16.082 -6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 93 20.677 15.532 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 93 19.845 14.117 -6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.062 14.988 -7.175 1.00 0.00 H new ATOM 1308 N LYS A 94 20.233 18.033 -6.179 1.00 0.00 N ATOM 1309 CA LYS A 94 20.792 19.375 -6.280 1.00 0.00 C ATOM 1310 C LYS A 94 22.197 19.336 -6.872 1.00 0.00 C ATOM 1311 O LYS A 94 23.144 18.904 -6.216 1.00 0.00 O ATOM 1312 CB LYS A 94 20.825 20.042 -4.903 1.00 0.00 C ATOM 1313 CG LYS A 94 19.452 20.212 -4.276 1.00 0.00 C ATOM 1314 CD LYS A 94 19.434 21.356 -3.277 1.00 0.00 C ATOM 1315 CE LYS A 94 18.016 21.834 -3.003 1.00 0.00 C ATOM 1316 NZ LYS A 94 17.387 21.092 -1.876 1.00 0.00 N ATOM 0 H LYS A 94 20.264 17.634 -5.241 1.00 0.00 H new ATOM 0 HA LYS A 94 20.153 19.958 -6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.449 19.447 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 94 21.297 21.020 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 94 18.715 20.398 -5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.162 19.287 -3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 94 19.897 21.033 -2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.031 22.184 -3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 94 18.030 22.899 -2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 94 17.411 21.710 -3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.422 21.448 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 17.350 20.078 -2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 17.949 21.231 -1.012 1.00 0.00 H new