USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 584 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 67 LYS NZ :NH3+ 153:sc= 2.08 (180deg=1.42) USER MOD Set 1.2: A 77 TYR OH : rot -109:sc= 0.068 USER MOD Set 1.3: A 666 TYR OH : rot 180:sc= 0.306 USER MOD Set 2.1: A 68 SER OG : rot -150:sc= 0.581 USER MOD Set 2.2: A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 50 CYS SG : rot 158:sc= 2.02 USER MOD Set 3.2: A 52 SER OG : rot 97:sc= -1.79! USER MOD Set 3.3: A 53 CYS SG : rot -51:sc= 0.401 USER MOD Set 3.4: A 73 CYS SG : rot -131:sc= -3.77! USER MOD Set 4.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 23 CYS SG : rot -150:sc= -3.03! USER MOD Set 5.2: A 26 CYS SG : rot -109:sc= 0.437! USER MOD Set 5.3: A 44 HIS : no HE2:sc= -6.85! C(o=-9.4!,f=-11!) USER MOD Set 5.4: A 47 CYS SG : rot 129:sc= 0.00277! USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= 1.21 (180deg=0.678) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 150:sc= -1.15 (180deg=-4.35!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -107:sc= 1.32 USER MOD Single : A 49 LYS NZ :NH3+ -143:sc= 0.0314 (180deg=0) USER MOD Single : A 51 SER OG : rot -171:sc= -0.54 USER MOD Single : A 54 GLN :FLIP amide:sc= -0.186 F(o=-0.93,f=-0.19) USER MOD Single : A 56 GLN : amide:sc= 1.06 K(o=1.1,f=-0.057) USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 63 SER OG : rot 180:sc= 0.127 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0801 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 72:sc= 1.16 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 664 SER OG : rot -77:sc= 0.145 USER MOD Single : A 665 GLN : amide:sc= -0.87 X(o=-0.87,f=-0.6) USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 668 MET CE :methyl -118:sc= -0.638 (180deg=-2.13!) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 675 THR OG1 : rot -161:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 13.587 -1.758 -5.778 1.00 0.00 N ATOM 327 CA LEU A 663 12.494 -2.700 -5.622 1.00 0.00 C ATOM 328 C LEU A 663 11.307 -2.298 -6.490 1.00 0.00 C ATOM 329 O LEU A 663 10.152 -2.424 -6.079 1.00 0.00 O ATOM 330 CB LEU A 663 12.079 -2.781 -4.151 1.00 0.00 C ATOM 331 CG LEU A 663 13.172 -2.395 -3.149 1.00 0.00 C ATOM 332 CD1 LEU A 663 12.562 -1.758 -1.912 1.00 0.00 C ATOM 333 CD2 LEU A 663 14.006 -3.611 -2.773 1.00 0.00 C ATOM 0 HA LEU A 663 12.833 -3.683 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 663 11.218 -2.131 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 663 11.753 -3.799 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 663 13.828 -1.664 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 663 13.354 -1.491 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 663 12.013 -0.861 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 663 11.881 -2.464 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 663 14.777 -3.317 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 663 13.364 -4.367 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 663 14.475 -4.021 -3.667 1.00 0.00 H new ATOM 345 N SER A 664 11.601 -1.841 -7.701 1.00 0.00 N ATOM 346 CA SER A 664 10.582 -1.357 -8.629 1.00 0.00 C ATOM 347 C SER A 664 9.555 -2.440 -8.954 1.00 0.00 C ATOM 348 O SER A 664 8.377 -2.156 -9.151 1.00 0.00 O ATOM 349 CB SER A 664 11.259 -0.876 -9.910 1.00 0.00 C ATOM 350 OG SER A 664 12.659 -1.085 -9.839 1.00 0.00 O ATOM 0 H SER A 664 12.551 -1.795 -8.069 1.00 0.00 H new ATOM 0 HA SER A 664 10.049 -0.532 -8.155 1.00 0.00 H new ATOM 0 HB2 SER A 664 10.849 -1.409 -10.768 1.00 0.00 H new ATOM 0 HB3 SER A 664 11.051 0.183 -10.063 1.00 0.00 H new ATOM 0 HG SER A 664 13.064 -0.396 -9.272 1.00 0.00 H new ATOM 356 N GLN A 665 10.008 -3.684 -8.995 1.00 0.00 N ATOM 357 CA GLN A 665 9.134 -4.801 -9.324 1.00 0.00 C ATOM 358 C GLN A 665 8.419 -5.334 -8.089 1.00 0.00 C ATOM 359 O GLN A 665 7.521 -6.170 -8.192 1.00 0.00 O ATOM 360 CB GLN A 665 9.933 -5.918 -9.996 1.00 0.00 C ATOM 361 CG GLN A 665 9.489 -6.211 -11.420 1.00 0.00 C ATOM 362 CD GLN A 665 8.996 -4.978 -12.156 1.00 0.00 C ATOM 363 OE1 GLN A 665 9.785 -4.178 -12.657 1.00 0.00 O ATOM 364 NE2 GLN A 665 7.684 -4.818 -12.225 1.00 0.00 N ATOM 0 H GLN A 665 10.975 -3.946 -8.805 1.00 0.00 H new ATOM 0 HA GLN A 665 8.375 -4.437 -10.017 1.00 0.00 H new ATOM 0 HB2 GLN A 665 10.988 -5.646 -10.002 1.00 0.00 H new ATOM 0 HB3 GLN A 665 9.842 -6.827 -9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 665 10.322 -6.647 -11.971 1.00 0.00 H new ATOM 0 HG3 GLN A 665 8.694 -6.957 -11.400 1.00 0.00 H new ATOM 0 HE21 GLN A 665 7.063 -5.505 -11.796 1.00 0.00 H new ATOM 0 HE22 GLN A 665 7.294 -4.008 -12.707 1.00 0.00 H new ATOM 373 N TYR A 666 8.817 -4.852 -6.923 1.00 0.00 N ATOM 374 CA TYR A 666 8.267 -5.346 -5.671 1.00 0.00 C ATOM 375 C TYR A 666 7.113 -4.478 -5.183 1.00 0.00 C ATOM 376 O TYR A 666 6.268 -4.943 -4.420 1.00 0.00 O ATOM 377 CB TYR A 666 9.355 -5.421 -4.604 1.00 0.00 C ATOM 378 CG TYR A 666 10.319 -6.568 -4.804 1.00 0.00 C ATOM 379 CD1 TYR A 666 9.894 -7.883 -4.683 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.650 -6.335 -5.117 1.00 0.00 C ATOM 381 CE1 TYR A 666 10.770 -8.934 -4.860 1.00 0.00 C ATOM 382 CE2 TYR A 666 12.533 -7.381 -5.296 1.00 0.00 C ATOM 383 CZ TYR A 666 12.087 -8.679 -5.169 1.00 0.00 C ATOM 384 OH TYR A 666 12.962 -9.728 -5.345 1.00 0.00 O ATOM 0 H TYR A 666 9.519 -4.119 -6.817 1.00 0.00 H new ATOM 0 HA TYR A 666 7.878 -6.347 -5.855 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.913 -4.485 -4.599 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.886 -5.518 -3.625 1.00 0.00 H new ATOM 0 HD1 TYR A 666 8.860 -8.087 -4.446 1.00 0.00 H new ATOM 0 HD2 TYR A 666 12.001 -5.319 -5.222 1.00 0.00 H new ATOM 0 HE1 TYR A 666 10.424 -9.952 -4.757 1.00 0.00 H new ATOM 0 HE2 TYR A 666 13.568 -7.183 -5.534 1.00 0.00 H new ATOM 0 HH TYR A 666 13.852 -9.379 -5.559 1.00 0.00 H new ATOM 394 N LYS A 667 7.074 -3.223 -5.615 1.00 0.00 N ATOM 395 CA LYS A 667 5.993 -2.333 -5.216 1.00 0.00 C ATOM 396 C LYS A 667 4.735 -2.639 -6.016 1.00 0.00 C ATOM 397 O LYS A 667 4.746 -2.619 -7.249 1.00 0.00 O ATOM 398 CB LYS A 667 6.377 -0.853 -5.369 1.00 0.00 C ATOM 399 CG LYS A 667 7.272 -0.537 -6.558 1.00 0.00 C ATOM 400 CD LYS A 667 8.537 0.191 -6.122 1.00 0.00 C ATOM 401 CE LYS A 667 8.428 1.696 -6.329 1.00 0.00 C ATOM 402 NZ LYS A 667 9.763 2.335 -6.491 1.00 0.00 N ATOM 0 H LYS A 667 7.769 -2.804 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 667 5.798 -2.510 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 667 5.464 -0.264 -5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 667 6.881 -0.529 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 667 7.540 -1.461 -7.070 1.00 0.00 H new ATOM 0 HG3 LYS A 667 6.725 0.077 -7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 667 8.731 -0.017 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 667 9.388 -0.192 -6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 667 7.820 1.898 -7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 667 7.913 2.143 -5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 9.643 3.359 -6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 10.335 2.165 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 10.245 1.928 -7.318 1.00 0.00 H new ATOM 416 N MET A 668 3.660 -2.938 -5.307 1.00 0.00 N ATOM 417 CA MET A 668 2.403 -3.293 -5.943 1.00 0.00 C ATOM 418 C MET A 668 1.654 -2.043 -6.390 1.00 0.00 C ATOM 419 O MET A 668 1.705 -1.004 -5.732 1.00 0.00 O ATOM 420 CB MET A 668 1.538 -4.134 -5.000 1.00 0.00 C ATOM 421 CG MET A 668 1.266 -3.485 -3.652 1.00 0.00 C ATOM 422 SD MET A 668 1.705 -4.557 -2.267 1.00 0.00 S ATOM 423 CE MET A 668 0.728 -6.012 -2.633 1.00 0.00 C ATOM 0 H MET A 668 3.633 -2.942 -4.287 1.00 0.00 H new ATOM 0 HA MET A 668 2.625 -3.892 -6.826 1.00 0.00 H new ATOM 0 HB2 MET A 668 0.586 -4.342 -5.488 1.00 0.00 H new ATOM 0 HB3 MET A 668 2.028 -5.094 -4.835 1.00 0.00 H new ATOM 0 HG2 MET A 668 1.830 -2.555 -3.580 1.00 0.00 H new ATOM 0 HG3 MET A 668 0.210 -3.224 -3.585 1.00 0.00 H new ATOM 0 HE1 MET A 668 0.012 -6.181 -1.829 1.00 0.00 H new ATOM 0 HE2 MET A 668 0.192 -5.864 -3.571 1.00 0.00 H new ATOM 0 HE3 MET A 668 1.384 -6.878 -2.723 1.00 0.00 H new ATOM 433 N ASP A 669 0.971 -2.153 -7.517 1.00 0.00 N ATOM 434 CA ASP A 669 0.231 -1.032 -8.077 1.00 0.00 C ATOM 435 C ASP A 669 -1.113 -0.884 -7.382 1.00 0.00 C ATOM 436 O ASP A 669 -2.033 -1.672 -7.609 1.00 0.00 O ATOM 437 CB ASP A 669 0.028 -1.238 -9.576 1.00 0.00 C ATOM 438 CG ASP A 669 -0.140 0.065 -10.329 1.00 0.00 C ATOM 439 OD1 ASP A 669 0.641 1.010 -10.086 1.00 0.00 O ATOM 440 OD2 ASP A 669 -1.045 0.142 -11.188 1.00 0.00 O ATOM 0 H ASP A 669 0.913 -3.011 -8.065 1.00 0.00 H new ATOM 0 HA ASP A 669 0.806 -0.119 -7.919 1.00 0.00 H new ATOM 0 HB2 ASP A 669 0.882 -1.780 -9.983 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -0.851 -1.861 -9.737 1.00 0.00 H new ATOM 445 N VAL A 670 -1.217 0.120 -6.526 1.00 0.00 N ATOM 446 CA VAL A 670 -2.438 0.346 -5.770 1.00 0.00 C ATOM 447 C VAL A 670 -3.432 1.174 -6.579 1.00 0.00 C ATOM 448 O VAL A 670 -3.365 2.404 -6.599 1.00 0.00 O ATOM 449 CB VAL A 670 -2.153 1.057 -4.429 1.00 0.00 C ATOM 450 CG1 VAL A 670 -3.350 0.943 -3.499 1.00 0.00 C ATOM 451 CG2 VAL A 670 -0.908 0.481 -3.772 1.00 0.00 C ATOM 0 H VAL A 670 -0.472 0.790 -6.338 1.00 0.00 H new ATOM 0 HA VAL A 670 -2.869 -0.633 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 670 -1.976 2.113 -4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -3.130 1.450 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.219 1.406 -3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -3.560 -0.109 -3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -0.724 0.995 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.055 -0.582 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.052 0.617 -4.433 1.00 0.00 H new ATOM 461 N THR A 671 -4.342 0.488 -7.255 1.00 0.00 N ATOM 462 CA THR A 671 -5.378 1.148 -8.036 1.00 0.00 C ATOM 463 C THR A 671 -6.620 1.393 -7.189 1.00 0.00 C ATOM 464 O THR A 671 -7.314 0.456 -6.807 1.00 0.00 O ATOM 465 CB THR A 671 -5.765 0.309 -9.274 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.646 -0.490 -9.690 1.00 0.00 O ATOM 467 CG2 THR A 671 -6.209 1.212 -10.413 1.00 0.00 C ATOM 0 H THR A 671 -4.384 -0.531 -7.278 1.00 0.00 H new ATOM 0 HA THR A 671 -4.973 2.104 -8.369 1.00 0.00 H new ATOM 0 HB THR A 671 -6.595 -0.345 -9.007 1.00 0.00 H new ATOM 0 HG1 THR A 671 -4.897 -1.021 -10.474 1.00 0.00 H new ATOM 0 HG21 THR A 671 -6.478 0.603 -11.276 1.00 0.00 H new ATOM 0 HG22 THR A 671 -7.073 1.797 -10.098 1.00 0.00 H new ATOM 0 HG23 THR A 671 -5.395 1.885 -10.683 1.00 0.00 H new ATOM 475 N VAL A 672 -6.888 2.650 -6.879 1.00 0.00 N ATOM 476 CA VAL A 672 -8.081 3.001 -6.123 1.00 0.00 C ATOM 477 C VAL A 672 -9.290 3.045 -7.048 1.00 0.00 C ATOM 478 O VAL A 672 -9.294 3.785 -8.035 1.00 0.00 O ATOM 479 CB VAL A 672 -7.935 4.359 -5.402 1.00 0.00 C ATOM 480 CG1 VAL A 672 -8.824 4.402 -4.169 1.00 0.00 C ATOM 481 CG2 VAL A 672 -6.484 4.621 -5.027 1.00 0.00 C ATOM 0 H VAL A 672 -6.300 3.442 -7.137 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.220 2.233 -5.363 1.00 0.00 H new ATOM 0 HB VAL A 672 -8.253 5.146 -6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -8.710 5.365 -3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -9.864 4.268 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -8.536 3.604 -3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -6.407 5.583 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -6.132 3.832 -4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -5.872 4.636 -5.929 1.00 0.00 H new ATOM 491 N ILE A 673 -10.302 2.249 -6.738 1.00 0.00 N ATOM 492 CA ILE A 673 -11.480 2.153 -7.583 1.00 0.00 C ATOM 493 C ILE A 673 -12.536 3.172 -7.163 1.00 0.00 C ATOM 494 O ILE A 673 -12.878 3.280 -5.985 1.00 0.00 O ATOM 495 CB ILE A 673 -12.091 0.733 -7.557 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.130 -0.274 -8.193 1.00 0.00 C ATOM 497 CG2 ILE A 673 -13.430 0.716 -8.279 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.480 -1.196 -7.186 1.00 0.00 C ATOM 0 H ILE A 673 -10.330 1.660 -5.906 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.158 2.369 -8.602 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.255 0.447 -6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -11.673 -0.872 -8.925 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -10.354 0.267 -8.735 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -13.846 -0.291 -8.251 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.117 1.406 -7.788 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -13.288 1.021 -9.316 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -9.811 -1.885 -7.702 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -9.910 -0.607 -6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.250 -1.762 -6.661 1.00 0.00 H new ATOM 510 N ASP A 674 -13.029 3.923 -8.138 1.00 0.00 N ATOM 511 CA ASP A 674 -14.070 4.914 -7.906 1.00 0.00 C ATOM 512 C ASP A 674 -15.438 4.239 -7.866 1.00 0.00 C ATOM 513 O ASP A 674 -15.929 3.750 -8.888 1.00 0.00 O ATOM 514 CB ASP A 674 -14.029 5.981 -9.008 1.00 0.00 C ATOM 515 CG ASP A 674 -15.245 6.887 -9.006 1.00 0.00 C ATOM 516 OD1 ASP A 674 -15.568 7.453 -7.946 1.00 0.00 O ATOM 517 OD2 ASP A 674 -15.865 7.054 -10.079 1.00 0.00 O ATOM 0 H ASP A 674 -12.720 3.863 -9.108 1.00 0.00 H new ATOM 0 HA ASP A 674 -13.895 5.397 -6.945 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -13.132 6.587 -8.885 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -13.951 5.490 -9.978 1.00 0.00 H new ATOM 522 N THR A 675 -16.038 4.201 -6.682 1.00 0.00 N ATOM 523 CA THR A 675 -17.317 3.535 -6.476 1.00 0.00 C ATOM 524 C THR A 675 -18.494 4.361 -7.007 1.00 0.00 C ATOM 525 O THR A 675 -19.376 4.780 -6.247 1.00 0.00 O ATOM 526 CB THR A 675 -17.536 3.246 -4.983 1.00 0.00 C ATOM 527 OG1 THR A 675 -16.302 3.413 -4.272 1.00 0.00 O ATOM 528 CG2 THR A 675 -18.063 1.833 -4.771 1.00 0.00 C ATOM 0 H THR A 675 -15.652 4.630 -5.841 1.00 0.00 H new ATOM 0 HA THR A 675 -17.280 2.600 -7.036 1.00 0.00 H new ATOM 0 HB THR A 675 -18.277 3.949 -4.603 1.00 0.00 H new ATOM 0 HG1 THR A 675 -16.359 2.958 -3.406 1.00 0.00 H new ATOM 0 HG21 THR A 675 -18.209 1.655 -3.706 1.00 0.00 H new ATOM 0 HG22 THR A 675 -19.013 1.717 -5.292 1.00 0.00 H new ATOM 0 HG23 THR A 675 -17.344 1.114 -5.164 1.00 0.00 H new ATOM 806 N TRP A 20 -21.685 -6.318 -4.199 1.00 0.00 N ATOM 807 CA TRP A 20 -20.665 -6.860 -3.309 1.00 0.00 C ATOM 808 C TRP A 20 -19.286 -6.906 -3.952 1.00 0.00 C ATOM 809 O TRP A 20 -19.123 -7.285 -5.114 1.00 0.00 O ATOM 810 CB TRP A 20 -21.056 -8.256 -2.818 1.00 0.00 C ATOM 811 CG TRP A 20 -22.220 -8.234 -1.881 1.00 0.00 C ATOM 812 CD1 TRP A 20 -23.371 -8.956 -1.979 1.00 0.00 C ATOM 813 CD2 TRP A 20 -22.343 -7.434 -0.709 1.00 0.00 C ATOM 814 NE1 TRP A 20 -24.205 -8.652 -0.931 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.594 -7.720 -0.133 1.00 0.00 C ATOM 816 CE3 TRP A 20 -21.509 -6.506 -0.090 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -24.031 -7.104 1.037 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -21.940 -5.894 1.070 1.00 0.00 C ATOM 819 CH2 TRP A 20 -23.191 -6.197 1.625 1.00 0.00 C ATOM 0 HA TRP A 20 -20.606 -6.179 -2.460 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -21.297 -8.884 -3.676 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -20.202 -8.713 -2.319 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -23.595 -9.663 -2.764 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -25.129 -9.054 -0.772 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -20.543 -6.269 -0.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.996 -7.333 1.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -21.303 -5.170 1.557 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -23.499 -5.705 2.536 1.00 0.00 H new ATOM 830 N LYS A 21 -18.297 -6.482 -3.186 1.00 0.00 N ATOM 831 CA LYS A 21 -16.907 -6.646 -3.560 1.00 0.00 C ATOM 832 C LYS A 21 -16.238 -7.573 -2.555 1.00 0.00 C ATOM 833 O LYS A 21 -16.440 -7.438 -1.347 1.00 0.00 O ATOM 834 CB LYS A 21 -16.192 -5.294 -3.616 1.00 0.00 C ATOM 835 CG LYS A 21 -15.959 -4.791 -5.035 1.00 0.00 C ATOM 836 CD LYS A 21 -17.267 -4.602 -5.794 1.00 0.00 C ATOM 837 CE LYS A 21 -17.185 -5.174 -7.204 1.00 0.00 C ATOM 838 NZ LYS A 21 -18.342 -6.057 -7.521 1.00 0.00 N ATOM 0 H LYS A 21 -18.436 -6.016 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.847 -7.084 -4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.781 -4.557 -3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.232 -5.377 -3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.420 -3.844 -5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.327 -5.499 -5.572 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -18.077 -5.088 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.509 -3.540 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.146 -4.357 -7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.259 -5.739 -7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.091 -6.690 -8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.585 -6.625 -6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.159 -5.474 -7.793 1.00 0.00 H new ATOM 852 N ARG A 22 -15.466 -8.521 -3.055 1.00 0.00 N ATOM 853 CA ARG A 22 -14.925 -9.577 -2.215 1.00 0.00 C ATOM 854 C ARG A 22 -13.601 -9.168 -1.573 1.00 0.00 C ATOM 855 O ARG A 22 -12.677 -8.730 -2.259 1.00 0.00 O ATOM 856 CB ARG A 22 -14.738 -10.854 -3.042 1.00 0.00 C ATOM 857 CG ARG A 22 -14.007 -11.967 -2.307 1.00 0.00 C ATOM 858 CD ARG A 22 -14.857 -12.549 -1.191 1.00 0.00 C ATOM 859 NE ARG A 22 -15.133 -13.970 -1.388 1.00 0.00 N ATOM 860 CZ ARG A 22 -16.172 -14.441 -2.073 1.00 0.00 C ATOM 861 NH1 ARG A 22 -17.053 -13.607 -2.613 1.00 0.00 N ATOM 862 NH2 ARG A 22 -16.338 -15.749 -2.204 1.00 0.00 N ATOM 0 H ARG A 22 -15.199 -8.582 -4.038 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.637 -9.763 -1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.717 -11.220 -3.353 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.186 -10.609 -3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.740 -12.755 -3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.076 -11.580 -1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.347 -12.409 -0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.799 -12.003 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.489 -14.644 -0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.935 -12.600 -2.504 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.848 -13.974 -3.137 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.670 -16.393 -1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.134 -16.112 -2.729 1.00 0.00 H new ATOM 876 N CYS A 23 -13.533 -9.316 -0.254 1.00 0.00 N ATOM 877 CA CYS A 23 -12.316 -9.061 0.496 1.00 0.00 C ATOM 878 C CYS A 23 -11.287 -10.161 0.266 1.00 0.00 C ATOM 879 O CYS A 23 -11.634 -11.303 -0.052 1.00 0.00 O ATOM 880 CB CYS A 23 -12.608 -8.991 1.991 1.00 0.00 C ATOM 881 SG CYS A 23 -13.372 -7.466 2.562 1.00 0.00 S ATOM 0 H CYS A 23 -14.320 -9.616 0.321 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.920 -8.108 0.146 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.259 -9.824 2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.673 -9.133 2.533 1.00 0.00 H new ATOM 0 HG CYS A 23 -13.020 -7.239 3.793 1.00 0.00 H new ATOM 886 N ALA A 24 -10.026 -9.813 0.449 1.00 0.00 N ATOM 887 CA ALA A 24 -8.949 -10.787 0.371 1.00 0.00 C ATOM 888 C ALA A 24 -8.013 -10.669 1.569 1.00 0.00 C ATOM 889 O ALA A 24 -7.112 -11.488 1.750 1.00 0.00 O ATOM 890 CB ALA A 24 -8.171 -10.609 -0.921 1.00 0.00 C ATOM 0 H ALA A 24 -9.721 -8.861 0.653 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.393 -11.782 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.368 -11.344 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.840 -10.749 -1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.746 -9.606 -0.955 1.00 0.00 H new ATOM 896 N GLY A 25 -8.225 -9.650 2.389 1.00 0.00 N ATOM 897 CA GLY A 25 -7.338 -9.414 3.507 1.00 0.00 C ATOM 898 C GLY A 25 -8.006 -9.606 4.853 1.00 0.00 C ATOM 899 O GLY A 25 -7.404 -10.173 5.767 1.00 0.00 O ATOM 0 H GLY A 25 -8.993 -8.985 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.485 -10.088 3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.948 -8.398 3.444 1.00 0.00 H new ATOM 903 N CYS A 26 -9.234 -9.122 4.997 1.00 0.00 N ATOM 904 CA CYS A 26 -9.928 -9.214 6.267 1.00 0.00 C ATOM 905 C CYS A 26 -10.985 -10.336 6.264 1.00 0.00 C ATOM 906 O CYS A 26 -10.637 -11.508 6.430 1.00 0.00 O ATOM 907 CB CYS A 26 -10.476 -7.820 6.691 1.00 0.00 C ATOM 908 SG CYS A 26 -12.088 -7.280 6.006 1.00 0.00 S ATOM 0 H CYS A 26 -9.763 -8.666 4.254 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.216 -9.508 7.038 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.556 -7.810 7.778 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -9.731 -7.072 6.419 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.896 -6.320 5.150 1.00 0.00 H new ATOM 913 N GLY A 27 -12.247 -9.998 6.070 1.00 0.00 N ATOM 914 CA GLY A 27 -13.308 -10.982 6.175 1.00 0.00 C ATOM 915 C GLY A 27 -13.664 -11.630 4.851 1.00 0.00 C ATOM 916 O GLY A 27 -13.318 -12.789 4.604 1.00 0.00 O ATOM 0 H GLY A 27 -12.561 -9.055 5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.006 -11.756 6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.197 -10.504 6.587 1.00 0.00 H new ATOM 920 N GLY A 28 -14.342 -10.885 3.993 1.00 0.00 N ATOM 921 CA GLY A 28 -14.827 -11.448 2.749 1.00 0.00 C ATOM 922 C GLY A 28 -15.739 -10.495 2.001 1.00 0.00 C ATOM 923 O GLY A 28 -15.814 -10.532 0.773 1.00 0.00 O ATOM 0 H GLY A 28 -14.566 -9.900 4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.979 -11.708 2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.364 -12.373 2.957 1.00 0.00 H new ATOM 927 N LYS A 29 -16.439 -9.645 2.731 1.00 0.00 N ATOM 928 CA LYS A 29 -17.318 -8.665 2.116 1.00 0.00 C ATOM 929 C LYS A 29 -16.846 -7.252 2.431 1.00 0.00 C ATOM 930 O LYS A 29 -16.858 -6.833 3.593 1.00 0.00 O ATOM 931 CB LYS A 29 -18.752 -8.856 2.607 1.00 0.00 C ATOM 932 CG LYS A 29 -19.522 -9.916 1.839 1.00 0.00 C ATOM 933 CD LYS A 29 -21.007 -9.603 1.802 1.00 0.00 C ATOM 934 CE LYS A 29 -21.793 -10.521 2.723 1.00 0.00 C ATOM 935 NZ LYS A 29 -22.197 -9.839 3.982 1.00 0.00 N ATOM 0 H LYS A 29 -16.416 -9.613 3.750 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.291 -8.811 1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.733 -9.127 3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -19.283 -7.907 2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -19.137 -9.982 0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -19.365 -10.890 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -21.169 -8.566 2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -21.376 -9.706 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -22.682 -10.880 2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -21.189 -11.396 2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -22.730 -10.502 4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -21.348 -9.519 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -22.795 -9.019 3.756 1.00 0.00 H new ATOM 949 N ILE A 30 -16.424 -6.524 1.407 1.00 0.00 N ATOM 950 CA ILE A 30 -15.999 -5.147 1.585 1.00 0.00 C ATOM 951 C ILE A 30 -17.209 -4.265 1.872 1.00 0.00 C ATOM 952 O ILE A 30 -18.044 -4.025 1.000 1.00 0.00 O ATOM 953 CB ILE A 30 -15.237 -4.611 0.347 1.00 0.00 C ATOM 954 CG1 ILE A 30 -13.871 -5.287 0.238 1.00 0.00 C ATOM 955 CG2 ILE A 30 -15.062 -3.099 0.423 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.365 -5.424 -1.176 1.00 0.00 C ATOM 0 H ILE A 30 -16.368 -6.865 0.447 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.313 -5.119 2.431 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.827 -4.843 -0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.147 -4.715 0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.930 -6.277 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.524 -2.750 -0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -16.041 -2.621 0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.496 -2.843 1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.391 -5.913 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.067 -6.022 -1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.271 -4.436 -1.626 1.00 0.00 H new ATOM 968 N ALA A 31 -17.305 -3.807 3.108 1.00 0.00 N ATOM 969 CA ALA A 31 -18.391 -2.930 3.513 1.00 0.00 C ATOM 970 C ALA A 31 -17.905 -1.491 3.587 1.00 0.00 C ATOM 971 O ALA A 31 -18.525 -0.642 4.225 1.00 0.00 O ATOM 972 CB ALA A 31 -18.963 -3.376 4.850 1.00 0.00 C ATOM 0 H ALA A 31 -16.642 -4.028 3.851 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.184 -2.987 2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.775 -2.709 5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.343 -4.394 4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.181 -3.345 5.609 1.00 0.00 H new ATOM 978 N ASP A 32 -16.782 -1.235 2.934 1.00 0.00 N ATOM 979 CA ASP A 32 -16.193 0.097 2.912 1.00 0.00 C ATOM 980 C ASP A 32 -16.732 0.897 1.733 1.00 0.00 C ATOM 981 O ASP A 32 -17.553 0.402 0.958 1.00 0.00 O ATOM 982 CB ASP A 32 -14.670 0.007 2.829 1.00 0.00 C ATOM 983 CG ASP A 32 -13.977 1.032 3.705 1.00 0.00 C ATOM 984 OD1 ASP A 32 -14.183 2.247 3.490 1.00 0.00 O ATOM 985 OD2 ASP A 32 -13.223 0.629 4.615 1.00 0.00 O ATOM 0 H ASP A 32 -16.257 -1.935 2.410 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.464 0.607 3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.352 -0.993 3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.357 0.148 1.794 1.00 0.00 H new ATOM 990 N ARG A 33 -16.264 2.128 1.598 1.00 0.00 N ATOM 991 CA ARG A 33 -16.717 3.003 0.528 1.00 0.00 C ATOM 992 C ARG A 33 -15.848 2.837 -0.713 1.00 0.00 C ATOM 993 O ARG A 33 -16.327 2.405 -1.762 1.00 0.00 O ATOM 994 CB ARG A 33 -16.701 4.460 0.992 1.00 0.00 C ATOM 995 CG ARG A 33 -17.728 5.330 0.292 1.00 0.00 C ATOM 996 CD ARG A 33 -17.060 6.358 -0.600 1.00 0.00 C ATOM 997 NE ARG A 33 -18.018 7.291 -1.183 1.00 0.00 N ATOM 998 CZ ARG A 33 -17.671 8.388 -1.852 1.00 0.00 C ATOM 999 NH1 ARG A 33 -16.389 8.722 -1.967 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -18.605 9.164 -2.385 1.00 0.00 N ATOM 0 H ARG A 33 -15.569 2.545 2.218 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.739 2.725 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.881 4.493 2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.708 4.876 0.822 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.392 4.705 -0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -18.346 5.835 1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -16.322 6.913 -0.021 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.521 5.848 -1.398 1.00 0.00 H new ATOM 0 HE ARG A 33 -19.012 7.091 -1.071 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.669 8.137 -1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.125 9.563 -2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -19.590 8.920 -2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -18.338 10.005 -2.898 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.571 3.174 -0.593 1.00 0.00 N ATOM 1015 CA PHE A 34 -13.654 3.079 -1.716 1.00 0.00 C ATOM 1016 C PHE A 34 -12.807 1.821 -1.619 1.00 0.00 C ATOM 1017 O PHE A 34 -12.238 1.521 -0.569 1.00 0.00 O ATOM 1018 CB PHE A 34 -12.769 4.322 -1.801 1.00 0.00 C ATOM 1019 CG PHE A 34 -13.202 5.255 -2.893 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -14.530 5.629 -3.006 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -12.294 5.743 -3.815 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -14.948 6.470 -4.013 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -12.706 6.585 -4.831 1.00 0.00 C ATOM 1024 CZ PHE A 34 -14.035 6.950 -4.929 1.00 0.00 C ATOM 0 H PHE A 34 -14.149 3.515 0.271 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.245 3.019 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.792 4.848 -0.846 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.736 4.019 -1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.250 5.255 -2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.253 5.464 -3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.988 6.753 -4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.989 6.957 -5.548 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.358 7.609 -5.721 1.00 0.00 H new ATOM 1034 N LEU A 35 -12.749 1.083 -2.715 1.00 0.00 N ATOM 1035 CA LEU A 35 -11.987 -0.151 -2.768 1.00 0.00 C ATOM 1036 C LEU A 35 -10.653 0.086 -3.467 1.00 0.00 C ATOM 1037 O LEU A 35 -10.543 0.953 -4.336 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.782 -1.252 -3.485 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.864 -0.763 -4.453 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -13.952 -1.686 -5.655 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -15.212 -0.676 -3.752 1.00 0.00 C ATOM 0 H LEU A 35 -13.225 1.320 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.794 -0.483 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.082 -1.880 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.252 -1.885 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.592 0.235 -4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.725 -1.326 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.993 -1.702 -6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.202 -2.694 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.967 -0.327 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.492 -1.661 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.144 0.022 -2.918 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.648 -0.680 -3.086 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.313 -0.520 -3.631 1.00 0.00 C ATOM 1055 C LEU A 36 -7.825 -1.819 -4.257 1.00 0.00 C ATOM 1056 O LEU A 36 -8.289 -2.906 -3.905 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.345 -0.070 -2.534 1.00 0.00 C ATOM 1058 CG LEU A 36 -7.677 1.279 -1.897 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -8.300 1.086 -0.522 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -6.428 2.138 -1.801 1.00 0.00 C ATOM 0 H LEU A 36 -9.733 -1.426 -2.395 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.350 0.244 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.326 -0.830 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.341 -0.020 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.402 1.790 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.529 2.059 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.218 0.506 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.600 0.555 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.679 3.096 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.683 1.630 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.024 2.306 -2.799 1.00 0.00 H new ATOM 1072 N TYR A 37 -6.897 -1.690 -5.187 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.327 -2.828 -5.891 1.00 0.00 C ATOM 1074 C TYR A 37 -4.911 -3.095 -5.414 1.00 0.00 C ATOM 1075 O TYR A 37 -4.198 -2.171 -5.024 1.00 0.00 O ATOM 1076 CB TYR A 37 -6.301 -2.551 -7.394 1.00 0.00 C ATOM 1077 CG TYR A 37 -7.148 -3.492 -8.215 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -7.426 -4.781 -7.781 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -7.668 -3.084 -9.434 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -8.200 -5.636 -8.540 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.443 -3.928 -10.197 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.706 -5.206 -9.747 1.00 0.00 C ATOM 1083 OH TYR A 37 -9.475 -6.057 -10.508 1.00 0.00 O ATOM 0 H TYR A 37 -6.515 -0.790 -5.478 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.946 -3.702 -5.686 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.640 -1.530 -7.569 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.270 -2.609 -7.744 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.031 -5.120 -6.835 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.461 -2.086 -9.791 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.408 -6.636 -8.189 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.843 -3.592 -11.142 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.754 -5.600 -11.329 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.508 -4.355 -5.451 1.00 0.00 N ATOM 1094 CA ALA A 38 -3.151 -4.738 -5.089 1.00 0.00 C ATOM 1095 C ALA A 38 -2.812 -6.105 -5.673 1.00 0.00 C ATOM 1096 O ALA A 38 -2.442 -6.216 -6.841 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.974 -4.738 -3.578 1.00 0.00 C ATOM 0 H ALA A 38 -5.104 -5.134 -5.730 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.463 -4.004 -5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.952 -5.027 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.173 -3.740 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.670 -5.447 -3.130 1.00 0.00 H new ATOM 1103 N MET A 39 -2.973 -7.150 -4.868 1.00 0.00 N ATOM 1104 CA MET A 39 -2.642 -8.510 -5.291 1.00 0.00 C ATOM 1105 C MET A 39 -3.791 -9.141 -6.080 1.00 0.00 C ATOM 1106 O MET A 39 -4.295 -10.199 -5.713 1.00 0.00 O ATOM 1107 CB MET A 39 -2.312 -9.371 -4.069 1.00 0.00 C ATOM 1108 CG MET A 39 -0.906 -9.947 -4.080 1.00 0.00 C ATOM 1109 SD MET A 39 0.041 -9.540 -2.595 1.00 0.00 S ATOM 1110 CE MET A 39 -1.240 -9.530 -1.341 1.00 0.00 C ATOM 0 H MET A 39 -3.332 -7.083 -3.916 1.00 0.00 H new ATOM 0 HA MET A 39 -1.771 -8.459 -5.945 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.440 -8.770 -3.169 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.029 -10.190 -4.010 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.965 -11.031 -4.180 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.374 -9.575 -4.956 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.813 -9.825 -0.382 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.660 -8.528 -1.258 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.027 -10.232 -1.619 1.00 0.00 H new ATOM 1120 N ASP A 40 -4.212 -8.461 -7.150 1.00 0.00 N ATOM 1121 CA ASP A 40 -5.274 -8.946 -8.047 1.00 0.00 C ATOM 1122 C ASP A 40 -6.580 -9.220 -7.301 1.00 0.00 C ATOM 1123 O ASP A 40 -7.427 -9.984 -7.762 1.00 0.00 O ATOM 1124 CB ASP A 40 -4.823 -10.203 -8.799 1.00 0.00 C ATOM 1125 CG ASP A 40 -5.390 -10.273 -10.203 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -4.995 -9.447 -11.055 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -6.226 -11.164 -10.469 1.00 0.00 O ATOM 0 H ASP A 40 -3.828 -7.556 -7.422 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.466 -8.151 -8.767 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.734 -10.222 -8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.132 -11.087 -8.241 1.00 0.00 H new ATOM 1132 N SER A 41 -6.738 -8.588 -6.154 1.00 0.00 N ATOM 1133 CA SER A 41 -7.947 -8.723 -5.367 1.00 0.00 C ATOM 1134 C SER A 41 -8.433 -7.346 -4.947 1.00 0.00 C ATOM 1135 O SER A 41 -7.735 -6.354 -5.161 1.00 0.00 O ATOM 1136 CB SER A 41 -7.688 -9.603 -4.141 1.00 0.00 C ATOM 1137 OG SER A 41 -7.892 -10.975 -4.441 1.00 0.00 O ATOM 0 H SER A 41 -6.037 -7.971 -5.744 1.00 0.00 H new ATOM 0 HA SER A 41 -8.719 -9.202 -5.970 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.667 -9.453 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.350 -9.303 -3.329 1.00 0.00 H new ATOM 0 HG SER A 41 -7.718 -11.514 -3.641 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.623 -7.283 -4.376 1.00 0.00 N ATOM 1144 CA TYR A 42 -10.188 -6.019 -3.928 1.00 0.00 C ATOM 1145 C TYR A 42 -9.935 -5.838 -2.437 1.00 0.00 C ATOM 1146 O TYR A 42 -10.179 -6.748 -1.646 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.690 -5.974 -4.214 1.00 0.00 C ATOM 1148 CG TYR A 42 -12.044 -5.952 -5.683 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.874 -7.077 -6.481 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.566 -4.807 -6.269 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -12.216 -7.061 -7.816 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -12.908 -4.784 -7.605 1.00 0.00 C ATOM 1153 CZ TYR A 42 -12.731 -5.912 -8.373 1.00 0.00 C ATOM 1154 OH TYR A 42 -13.074 -5.896 -9.703 1.00 0.00 O ATOM 0 H TYR A 42 -10.219 -8.094 -4.211 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.706 -5.207 -4.473 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -12.162 -6.841 -3.752 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -12.112 -5.089 -3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.467 -7.979 -6.048 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.707 -3.920 -5.669 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -12.081 -7.945 -8.422 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.313 -3.885 -8.046 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.423 -5.012 -9.940 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.424 -4.677 -2.063 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.105 -4.404 -0.670 1.00 0.00 C ATOM 1166 C TRP A 43 -9.657 -3.054 -0.228 1.00 0.00 C ATOM 1167 O TRP A 43 -10.161 -2.274 -1.031 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.586 -4.410 -0.432 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.815 -5.412 -1.244 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.531 -5.342 -2.576 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -6.205 -6.617 -0.768 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.806 -6.441 -2.963 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.589 -7.236 -1.872 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -6.125 -7.236 0.481 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.904 -8.441 -1.764 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.443 -8.431 0.586 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.840 -9.022 -0.531 1.00 0.00 C ATOM 0 H TRP A 43 -9.221 -3.909 -2.703 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.569 -5.197 -0.084 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.197 -3.415 -0.647 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.401 -4.603 0.625 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.833 -4.538 -3.231 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.482 -6.634 -3.911 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.588 -6.788 1.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.440 -8.900 -2.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.373 -8.919 1.547 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.313 -9.957 -0.414 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.568 -2.810 1.065 1.00 0.00 N ATOM 1189 CA HIS A 44 -9.864 -1.507 1.660 1.00 0.00 C ATOM 1190 C HIS A 44 -8.834 -1.249 2.753 1.00 0.00 C ATOM 1191 O HIS A 44 -7.808 -1.925 2.787 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.303 -1.432 2.234 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.742 -2.652 2.991 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.595 -2.650 4.089 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.408 -3.940 2.791 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.727 -3.932 4.495 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -12.019 -4.714 3.735 1.00 0.00 N ATOM 0 H HIS A 44 -9.285 -3.515 1.746 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.808 -0.741 0.886 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.371 -0.567 2.894 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -11.999 -1.261 1.412 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -13.038 -1.833 4.509 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.759 -4.304 2.008 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -13.332 -4.259 5.328 1.00 0.00 H new ATOM 1205 N SER A 45 -9.100 -0.309 3.648 1.00 0.00 N ATOM 1206 CA SER A 45 -8.161 0.009 4.719 1.00 0.00 C ATOM 1207 C SER A 45 -7.865 -1.211 5.596 1.00 0.00 C ATOM 1208 O SER A 45 -6.704 -1.520 5.864 1.00 0.00 O ATOM 1209 CB SER A 45 -8.712 1.147 5.575 1.00 0.00 C ATOM 1210 OG SER A 45 -9.377 2.108 4.773 1.00 0.00 O ATOM 0 H SER A 45 -9.955 0.247 3.656 1.00 0.00 H new ATOM 0 HA SER A 45 -7.224 0.320 4.257 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.402 0.747 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.898 1.624 6.121 1.00 0.00 H new ATOM 0 HG SER A 45 -8.827 2.916 4.707 1.00 0.00 H new ATOM 1216 N ARG A 46 -8.913 -1.915 6.016 1.00 0.00 N ATOM 1217 CA ARG A 46 -8.764 -3.055 6.920 1.00 0.00 C ATOM 1218 C ARG A 46 -8.264 -4.303 6.191 1.00 0.00 C ATOM 1219 O ARG A 46 -7.894 -5.292 6.824 1.00 0.00 O ATOM 1220 CB ARG A 46 -10.094 -3.358 7.614 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.226 -2.719 8.983 1.00 0.00 C ATOM 1222 CD ARG A 46 -10.440 -3.764 10.065 1.00 0.00 C ATOM 1223 NE ARG A 46 -11.177 -3.232 11.213 1.00 0.00 N ATOM 1224 CZ ARG A 46 -12.213 -3.843 11.782 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -12.678 -4.982 11.281 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -12.805 -3.308 12.845 1.00 0.00 N ATOM 0 H ARG A 46 -9.876 -1.717 5.745 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.016 -2.783 7.665 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.911 -3.012 6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.204 -4.438 7.715 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.328 -2.142 9.205 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.062 -2.019 8.980 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.985 -4.610 9.647 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.473 -4.141 10.399 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.878 -2.337 11.601 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.241 -5.393 10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.472 -5.446 11.721 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.465 -2.426 13.228 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.599 -3.780 13.278 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.255 -4.260 4.866 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.800 -5.395 4.076 1.00 0.00 C ATOM 1242 C CYS A 47 -6.364 -5.179 3.595 1.00 0.00 C ATOM 1243 O CYS A 47 -5.495 -6.029 3.802 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.737 -5.617 2.887 1.00 0.00 C ATOM 1245 SG CYS A 47 -9.738 -7.139 2.992 1.00 0.00 S ATOM 0 H CYS A 47 -8.556 -3.455 4.317 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.816 -6.285 4.706 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.407 -4.761 2.803 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.144 -5.649 1.973 1.00 0.00 H new ATOM 0 HG CYS A 47 -10.989 -6.851 2.784 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.120 -4.034 2.969 1.00 0.00 N ATOM 1251 CA LEU A 48 -4.795 -3.694 2.467 1.00 0.00 C ATOM 1252 C LEU A 48 -3.940 -3.114 3.585 1.00 0.00 C ATOM 1253 O LEU A 48 -3.757 -1.898 3.682 1.00 0.00 O ATOM 1254 CB LEU A 48 -4.900 -2.684 1.319 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.437 -3.180 -0.056 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -3.974 -2.008 -0.904 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.327 -4.216 0.070 1.00 0.00 C ATOM 0 H LEU A 48 -6.828 -3.321 2.796 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.325 -4.604 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.939 -2.364 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.314 -1.803 1.582 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.285 -3.661 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.647 -2.371 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.798 -1.306 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.144 -1.505 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.023 -4.546 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.473 -3.774 0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.690 -5.071 0.641 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.434 -3.983 4.437 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.591 -3.565 5.542 1.00 0.00 C ATOM 1271 C LYS A 49 -1.287 -4.340 5.539 1.00 0.00 C ATOM 1272 O LYS A 49 -1.221 -5.454 5.016 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.301 -3.773 6.887 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.510 -4.696 6.821 1.00 0.00 C ATOM 1275 CD LYS A 49 -4.108 -6.152 7.005 1.00 0.00 C ATOM 1276 CE LYS A 49 -5.230 -6.958 7.639 1.00 0.00 C ATOM 1277 NZ LYS A 49 -5.488 -8.231 6.909 1.00 0.00 N ATOM 0 H LYS A 49 -3.593 -4.989 4.385 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.382 -2.503 5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.587 -4.180 7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.619 -2.804 7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.227 -4.415 7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.011 -4.574 5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.847 -6.585 6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.217 -6.209 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.975 -7.180 8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.141 -6.359 7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.509 -8.428 6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.147 -8.145 5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.988 -9.010 7.383 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.255 -3.739 6.112 1.00 0.00 N ATOM 1292 CA CYS A 50 1.014 -4.414 6.298 1.00 0.00 C ATOM 1293 C CYS A 50 0.810 -5.646 7.170 1.00 0.00 C ATOM 1294 O CYS A 50 0.244 -5.559 8.256 1.00 0.00 O ATOM 1295 CB CYS A 50 2.021 -3.460 6.949 1.00 0.00 C ATOM 1296 SG CYS A 50 3.719 -4.107 7.081 1.00 0.00 S ATOM 0 H CYS A 50 -0.275 -2.779 6.457 1.00 0.00 H new ATOM 0 HA CYS A 50 1.406 -4.725 5.330 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.045 -2.534 6.375 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.666 -3.207 7.948 1.00 0.00 H new ATOM 0 HG CYS A 50 4.553 -3.116 7.191 1.00 0.00 H new ATOM 1301 N SER A 51 1.263 -6.789 6.697 1.00 0.00 N ATOM 1302 CA SER A 51 1.118 -8.022 7.446 1.00 0.00 C ATOM 1303 C SER A 51 2.183 -8.105 8.536 1.00 0.00 C ATOM 1304 O SER A 51 2.169 -9.010 9.372 1.00 0.00 O ATOM 1305 CB SER A 51 1.225 -9.219 6.500 1.00 0.00 C ATOM 1306 OG SER A 51 0.770 -8.878 5.198 1.00 0.00 O ATOM 0 H SER A 51 1.734 -6.891 5.798 1.00 0.00 H new ATOM 0 HA SER A 51 0.137 -8.037 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.260 -9.558 6.451 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.636 -10.049 6.890 1.00 0.00 H new ATOM 0 HG SER A 51 0.713 -9.688 4.649 1.00 0.00 H new ATOM 1312 N SER A 52 3.096 -7.143 8.527 1.00 0.00 N ATOM 1313 CA SER A 52 4.203 -7.136 9.464 1.00 0.00 C ATOM 1314 C SER A 52 3.937 -6.209 10.657 1.00 0.00 C ATOM 1315 O SER A 52 4.054 -6.634 11.808 1.00 0.00 O ATOM 1316 CB SER A 52 5.482 -6.737 8.731 1.00 0.00 C ATOM 1317 OG SER A 52 5.229 -6.541 7.351 1.00 0.00 O ATOM 0 H SER A 52 3.088 -6.357 7.878 1.00 0.00 H new ATOM 0 HA SER A 52 4.319 -8.141 9.871 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.885 -5.822 9.165 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.238 -7.512 8.861 1.00 0.00 H new ATOM 0 HG SER A 52 5.088 -5.587 7.177 1.00 0.00 H new ATOM 1323 N CYS A 53 3.561 -4.954 10.399 1.00 0.00 N ATOM 1324 CA CYS A 53 3.297 -4.017 11.492 1.00 0.00 C ATOM 1325 C CYS A 53 1.821 -3.638 11.552 1.00 0.00 C ATOM 1326 O CYS A 53 1.393 -2.910 12.451 1.00 0.00 O ATOM 1327 CB CYS A 53 4.174 -2.762 11.372 1.00 0.00 C ATOM 1328 SG CYS A 53 3.785 -1.683 9.955 1.00 0.00 S ATOM 0 H CYS A 53 3.435 -4.569 9.463 1.00 0.00 H new ATOM 0 HA CYS A 53 3.554 -4.522 12.423 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.078 -2.181 12.289 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.217 -3.071 11.298 1.00 0.00 H new ATOM 0 HG CYS A 53 3.751 -2.392 8.866 1.00 0.00 H new ATOM 1333 N GLN A 54 1.056 -4.140 10.590 1.00 0.00 N ATOM 1334 CA GLN A 54 -0.382 -3.900 10.519 1.00 0.00 C ATOM 1335 C GLN A 54 -0.687 -2.426 10.276 1.00 0.00 C ATOM 1336 O GLN A 54 -1.594 -1.852 10.881 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.084 -4.407 11.781 1.00 0.00 C ATOM 1338 CG GLN A 54 -1.302 -5.908 11.771 1.00 0.00 C ATOM 1339 CD GLN A 54 -2.767 -6.291 11.848 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -3.631 -5.491 11.242 1.00 0.00 O flip ATOM 1341 NE2 GLN A 54 -3.121 -7.303 12.450 1.00 0.00 N flip ATOM 0 H GLN A 54 1.415 -4.726 9.836 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.771 -4.461 9.669 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.491 -4.137 12.654 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.047 -3.906 11.882 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.869 -6.327 10.863 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.770 -6.353 12.612 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.426 -7.895 12.905 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.110 -7.550 12.495 1.00 0.00 H new ATOM 1350 N ALA A 55 0.083 -1.816 9.389 1.00 0.00 N ATOM 1351 CA ALA A 55 -0.177 -0.450 8.972 1.00 0.00 C ATOM 1352 C ALA A 55 -1.168 -0.444 7.816 1.00 0.00 C ATOM 1353 O ALA A 55 -0.940 -1.098 6.797 1.00 0.00 O ATOM 1354 CB ALA A 55 1.117 0.242 8.570 1.00 0.00 C ATOM 0 H ALA A 55 0.894 -2.247 8.944 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.608 0.099 9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.902 1.265 8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.801 0.256 9.419 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.577 -0.298 7.742 1.00 0.00 H new ATOM 1360 N GLN A 56 -2.280 0.260 7.995 1.00 0.00 N ATOM 1361 CA GLN A 56 -3.302 0.363 6.963 1.00 0.00 C ATOM 1362 C GLN A 56 -2.762 1.107 5.747 1.00 0.00 C ATOM 1363 O GLN A 56 -2.784 2.337 5.693 1.00 0.00 O ATOM 1364 CB GLN A 56 -4.541 1.069 7.518 1.00 0.00 C ATOM 1365 CG GLN A 56 -5.466 0.138 8.283 1.00 0.00 C ATOM 1366 CD GLN A 56 -6.337 0.857 9.295 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -6.489 0.404 10.428 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -6.924 1.975 8.897 1.00 0.00 N ATOM 0 H GLN A 56 -2.496 0.770 8.851 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.584 -0.642 6.650 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.226 1.879 8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.092 1.523 6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.104 -0.391 7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.869 -0.615 8.798 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.774 2.320 7.949 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.526 2.491 9.538 1.00 0.00 H new ATOM 1377 N LEU A 57 -2.277 0.350 4.776 1.00 0.00 N ATOM 1378 CA LEU A 57 -1.679 0.922 3.581 1.00 0.00 C ATOM 1379 C LEU A 57 -2.755 1.363 2.600 1.00 0.00 C ATOM 1380 O LEU A 57 -2.516 2.204 1.742 1.00 0.00 O ATOM 1381 CB LEU A 57 -0.746 -0.092 2.918 1.00 0.00 C ATOM 1382 CG LEU A 57 0.476 -0.485 3.751 1.00 0.00 C ATOM 1383 CD1 LEU A 57 1.012 -1.840 3.312 1.00 0.00 C ATOM 1384 CD2 LEU A 57 1.560 0.578 3.646 1.00 0.00 C ATOM 0 H LEU A 57 -2.286 -0.670 4.793 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.099 1.797 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.316 -0.992 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.403 0.319 1.968 1.00 0.00 H new ATOM 0 HG LEU A 57 0.168 -0.560 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.881 -2.101 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.239 -2.597 3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.301 -1.794 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.421 0.280 4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.863 0.687 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.174 1.529 4.013 1.00 0.00 H new ATOM 1396 N GLY A 58 -3.948 0.798 2.746 1.00 0.00 N ATOM 1397 CA GLY A 58 -5.049 1.144 1.867 1.00 0.00 C ATOM 1398 C GLY A 58 -5.622 2.523 2.145 1.00 0.00 C ATOM 1399 O GLY A 58 -6.540 2.968 1.462 1.00 0.00 O ATOM 0 H GLY A 58 -4.173 0.105 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.708 1.100 0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.839 0.400 1.974 1.00 0.00 H new ATOM 1403 N ASP A 59 -5.076 3.204 3.141 1.00 0.00 N ATOM 1404 CA ASP A 59 -5.567 4.528 3.511 1.00 0.00 C ATOM 1405 C ASP A 59 -4.710 5.613 2.893 1.00 0.00 C ATOM 1406 O ASP A 59 -4.922 6.806 3.130 1.00 0.00 O ATOM 1407 CB ASP A 59 -5.593 4.690 5.033 1.00 0.00 C ATOM 1408 CG ASP A 59 -6.892 4.223 5.655 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -7.955 4.366 5.016 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -6.856 3.713 6.794 1.00 0.00 O ATOM 0 H ASP A 59 -4.297 2.867 3.706 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.583 4.625 3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.766 4.128 5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.432 5.738 5.284 1.00 0.00 H new ATOM 1415 N ILE A 60 -3.752 5.191 2.095 1.00 0.00 N ATOM 1416 CA ILE A 60 -2.844 6.107 1.430 1.00 0.00 C ATOM 1417 C ILE A 60 -2.419 5.536 0.088 1.00 0.00 C ATOM 1418 O ILE A 60 -2.145 4.345 -0.026 1.00 0.00 O ATOM 1419 CB ILE A 60 -1.576 6.407 2.273 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -1.508 5.517 3.522 1.00 0.00 C ATOM 1421 CG2 ILE A 60 -1.538 7.876 2.668 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -0.366 4.527 3.500 1.00 0.00 C ATOM 0 H ILE A 60 -3.579 4.207 1.888 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.386 7.043 1.294 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.706 6.183 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.412 6.150 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.447 4.973 3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.643 8.071 3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.522 8.494 1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.422 8.117 3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.382 3.933 4.414 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.472 3.869 2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.580 5.064 3.432 1.00 0.00 H new ATOM 1434 N GLY A 61 -2.378 6.385 -0.926 1.00 0.00 N ATOM 1435 CA GLY A 61 -1.929 5.959 -2.241 1.00 0.00 C ATOM 1436 C GLY A 61 -0.415 5.835 -2.330 1.00 0.00 C ATOM 1437 O GLY A 61 0.209 6.359 -3.258 1.00 0.00 O ATOM 0 H GLY A 61 -2.648 7.367 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.383 4.998 -2.482 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.276 6.673 -2.988 1.00 0.00 H new ATOM 1441 N THR A 62 0.175 5.155 -1.359 1.00 0.00 N ATOM 1442 CA THR A 62 1.611 4.957 -1.318 1.00 0.00 C ATOM 1443 C THR A 62 1.972 3.566 -1.828 1.00 0.00 C ATOM 1444 O THR A 62 1.179 2.629 -1.715 1.00 0.00 O ATOM 1445 CB THR A 62 2.153 5.142 0.110 1.00 0.00 C ATOM 1446 OG1 THR A 62 1.305 6.044 0.835 1.00 0.00 O ATOM 1447 CG2 THR A 62 3.573 5.685 0.088 1.00 0.00 C ATOM 0 H THR A 62 -0.328 4.727 -0.581 1.00 0.00 H new ATOM 0 HA THR A 62 2.069 5.706 -1.964 1.00 0.00 H new ATOM 0 HB THR A 62 2.164 4.169 0.601 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.651 6.159 1.745 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.932 5.806 1.110 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.221 4.988 -0.444 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.586 6.650 -0.418 1.00 0.00 H new ATOM 1455 N SER A 63 3.164 3.440 -2.396 1.00 0.00 N ATOM 1456 CA SER A 63 3.617 2.182 -2.959 1.00 0.00 C ATOM 1457 C SER A 63 3.891 1.149 -1.867 1.00 0.00 C ATOM 1458 O SER A 63 4.902 1.226 -1.166 1.00 0.00 O ATOM 1459 CB SER A 63 4.882 2.423 -3.786 1.00 0.00 C ATOM 1460 OG SER A 63 5.432 3.707 -3.509 1.00 0.00 O ATOM 0 H SER A 63 3.837 4.202 -2.478 1.00 0.00 H new ATOM 0 HA SER A 63 2.828 1.786 -3.598 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.619 1.651 -3.564 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.648 2.344 -4.848 1.00 0.00 H new ATOM 0 HG SER A 63 6.240 3.840 -4.047 1.00 0.00 H new ATOM 1466 N SER A 64 2.977 0.204 -1.708 1.00 0.00 N ATOM 1467 CA SER A 64 3.186 -0.908 -0.798 1.00 0.00 C ATOM 1468 C SER A 64 4.081 -1.950 -1.467 1.00 0.00 C ATOM 1469 O SER A 64 4.121 -2.036 -2.696 1.00 0.00 O ATOM 1470 CB SER A 64 1.835 -1.509 -0.408 1.00 0.00 C ATOM 1471 OG SER A 64 0.772 -0.695 -0.884 1.00 0.00 O ATOM 0 H SER A 64 2.083 0.186 -2.199 1.00 0.00 H new ATOM 0 HA SER A 64 3.681 -0.562 0.109 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.744 -2.514 -0.821 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.772 -1.603 0.676 1.00 0.00 H new ATOM 0 HG SER A 64 -0.086 -1.094 -0.628 1.00 0.00 H new ATOM 1477 N TYR A 65 4.804 -2.723 -0.674 1.00 0.00 N ATOM 1478 CA TYR A 65 5.754 -3.681 -1.221 1.00 0.00 C ATOM 1479 C TYR A 65 5.342 -5.106 -0.896 1.00 0.00 C ATOM 1480 O TYR A 65 4.578 -5.343 0.040 1.00 0.00 O ATOM 1481 CB TYR A 65 7.160 -3.401 -0.686 1.00 0.00 C ATOM 1482 CG TYR A 65 7.759 -2.119 -1.217 1.00 0.00 C ATOM 1483 CD1 TYR A 65 7.547 -0.912 -0.564 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.520 -2.111 -2.378 1.00 0.00 C ATOM 1485 CE1 TYR A 65 8.082 0.264 -1.048 1.00 0.00 C ATOM 1486 CE2 TYR A 65 9.058 -0.937 -2.869 1.00 0.00 C ATOM 1487 CZ TYR A 65 8.833 0.248 -2.202 1.00 0.00 C ATOM 1488 OH TYR A 65 9.361 1.422 -2.691 1.00 0.00 O ATOM 0 H TYR A 65 4.753 -2.708 0.345 1.00 0.00 H new ATOM 0 HA TYR A 65 5.760 -3.569 -2.305 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.124 -3.353 0.402 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.813 -4.234 -0.947 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.953 -0.894 0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.694 -3.037 -2.906 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.912 1.193 -0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.652 -0.948 -3.771 1.00 0.00 H new ATOM 0 HH TYR A 65 9.865 1.237 -3.511 1.00 0.00 H new ATOM 1498 N THR A 66 5.848 -6.050 -1.669 1.00 0.00 N ATOM 1499 CA THR A 66 5.539 -7.449 -1.455 1.00 0.00 C ATOM 1500 C THR A 66 6.701 -8.331 -1.902 1.00 0.00 C ATOM 1501 O THR A 66 7.660 -7.850 -2.506 1.00 0.00 O ATOM 1502 CB THR A 66 4.247 -7.861 -2.199 1.00 0.00 C ATOM 1503 OG1 THR A 66 3.779 -9.129 -1.723 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.468 -7.929 -3.703 1.00 0.00 C ATOM 0 H THR A 66 6.476 -5.871 -2.452 1.00 0.00 H new ATOM 0 HA THR A 66 5.377 -7.590 -0.386 1.00 0.00 H new ATOM 0 HB THR A 66 3.495 -7.098 -1.997 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.409 -9.024 -0.822 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.540 -8.221 -4.194 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.780 -6.951 -4.069 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.242 -8.663 -3.924 1.00 0.00 H new ATOM 1512 N LYS A 67 6.608 -9.614 -1.587 1.00 0.00 N ATOM 1513 CA LYS A 67 7.624 -10.582 -1.972 1.00 0.00 C ATOM 1514 C LYS A 67 7.112 -11.995 -1.746 1.00 0.00 C ATOM 1515 O LYS A 67 6.873 -12.741 -2.693 1.00 0.00 O ATOM 1516 CB LYS A 67 8.918 -10.357 -1.182 1.00 0.00 C ATOM 1517 CG LYS A 67 10.161 -10.886 -1.887 1.00 0.00 C ATOM 1518 CD LYS A 67 11.436 -10.385 -1.230 1.00 0.00 C ATOM 1519 CE LYS A 67 12.675 -10.934 -1.922 1.00 0.00 C ATOM 1520 NZ LYS A 67 13.577 -9.854 -2.408 1.00 0.00 N ATOM 0 H LYS A 67 5.831 -10.012 -1.060 1.00 0.00 H new ATOM 0 HA LYS A 67 7.842 -10.448 -3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.041 -9.290 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.829 -10.840 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.150 -11.976 -1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.145 -10.578 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.456 -9.296 -1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.445 -10.678 -0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.220 -11.576 -1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.372 -11.557 -2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.554 -10.208 -2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.281 -9.556 -3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.527 -9.042 -1.760 1.00 0.00 H new ATOM 1534 N SER A 68 6.916 -12.347 -0.484 1.00 0.00 N ATOM 1535 CA SER A 68 6.453 -13.676 -0.116 1.00 0.00 C ATOM 1536 C SER A 68 4.925 -13.735 -0.060 1.00 0.00 C ATOM 1537 O SER A 68 4.353 -14.435 0.774 1.00 0.00 O ATOM 1538 CB SER A 68 7.044 -14.054 1.242 1.00 0.00 C ATOM 1539 OG SER A 68 7.602 -12.913 1.877 1.00 0.00 O ATOM 0 H SER A 68 7.072 -11.724 0.309 1.00 0.00 H new ATOM 0 HA SER A 68 6.785 -14.385 -0.875 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.269 -14.487 1.875 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.812 -14.817 1.111 1.00 0.00 H new ATOM 0 HG SER A 68 8.348 -13.189 2.450 1.00 0.00 H new ATOM 1545 N GLY A 69 4.272 -12.978 -0.938 1.00 0.00 N ATOM 1546 CA GLY A 69 2.818 -12.976 -0.986 1.00 0.00 C ATOM 1547 C GLY A 69 2.184 -12.155 0.125 1.00 0.00 C ATOM 1548 O GLY A 69 0.959 -12.107 0.247 1.00 0.00 O ATOM 0 H GLY A 69 4.723 -12.366 -1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.493 -12.584 -1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.457 -14.003 -0.922 1.00 0.00 H new ATOM 1552 N MET A 70 3.016 -11.517 0.938 1.00 0.00 N ATOM 1553 CA MET A 70 2.533 -10.692 2.039 1.00 0.00 C ATOM 1554 C MET A 70 2.606 -9.220 1.664 1.00 0.00 C ATOM 1555 O MET A 70 3.441 -8.821 0.856 1.00 0.00 O ATOM 1556 CB MET A 70 3.359 -10.936 3.310 1.00 0.00 C ATOM 1557 CG MET A 70 3.590 -12.404 3.637 1.00 0.00 C ATOM 1558 SD MET A 70 4.344 -12.635 5.260 1.00 0.00 S ATOM 1559 CE MET A 70 6.086 -12.552 4.842 1.00 0.00 C ATOM 0 H MET A 70 4.032 -11.555 0.856 1.00 0.00 H new ATOM 0 HA MET A 70 1.497 -10.967 2.235 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.326 -10.444 3.201 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.855 -10.464 4.153 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.639 -12.936 3.602 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.231 -12.847 2.875 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.683 -12.678 5.745 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.328 -13.344 4.133 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.307 -11.583 4.394 1.00 0.00 H new ATOM 1569 N ILE A 71 1.728 -8.422 2.246 1.00 0.00 N ATOM 1570 CA ILE A 71 1.745 -6.984 2.030 1.00 0.00 C ATOM 1571 C ILE A 71 2.607 -6.332 3.093 1.00 0.00 C ATOM 1572 O ILE A 71 2.371 -6.522 4.284 1.00 0.00 O ATOM 1573 CB ILE A 71 0.332 -6.360 2.087 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.734 -7.364 1.651 1.00 0.00 C ATOM 1575 CG2 ILE A 71 0.274 -5.114 1.222 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.406 -8.061 2.813 1.00 0.00 C ATOM 0 H ILE A 71 0.992 -8.746 2.874 1.00 0.00 H new ATOM 0 HA ILE A 71 2.147 -6.809 1.032 1.00 0.00 H new ATOM 0 HB ILE A 71 0.125 -6.082 3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.490 -6.848 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.277 -8.111 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.726 -4.684 1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.000 -4.386 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.506 -5.376 0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.152 -8.760 2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.660 -8.604 3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.891 -7.321 3.450 1.00 0.00 H new ATOM 1588 N LEU A 72 3.610 -5.589 2.671 1.00 0.00 N ATOM 1589 CA LEU A 72 4.543 -4.989 3.609 1.00 0.00 C ATOM 1590 C LEU A 72 4.734 -3.510 3.309 1.00 0.00 C ATOM 1591 O LEU A 72 4.729 -3.095 2.147 1.00 0.00 O ATOM 1592 CB LEU A 72 5.885 -5.725 3.554 1.00 0.00 C ATOM 1593 CG LEU A 72 6.009 -6.908 4.519 1.00 0.00 C ATOM 1594 CD1 LEU A 72 5.422 -8.172 3.915 1.00 0.00 C ATOM 1595 CD2 LEU A 72 7.460 -7.137 4.902 1.00 0.00 C ATOM 0 H LEU A 72 3.801 -5.386 1.690 1.00 0.00 H new ATOM 0 HA LEU A 72 4.132 -5.079 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.044 -6.085 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.683 -5.014 3.769 1.00 0.00 H new ATOM 0 HG LEU A 72 5.443 -6.664 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.524 -8.995 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.367 -8.013 3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.953 -8.416 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.526 -7.982 5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.043 -7.350 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.854 -6.244 5.387 1.00 0.00 H new ATOM 1607 N CYS A 73 4.883 -2.712 4.360 1.00 0.00 N ATOM 1608 CA CYS A 73 5.119 -1.289 4.198 1.00 0.00 C ATOM 1609 C CYS A 73 6.547 -1.039 3.711 1.00 0.00 C ATOM 1610 O CYS A 73 7.373 -1.958 3.680 1.00 0.00 O ATOM 1611 CB CYS A 73 4.847 -0.544 5.510 1.00 0.00 C ATOM 1612 SG CYS A 73 5.979 -0.965 6.876 1.00 0.00 S ATOM 0 H CYS A 73 4.844 -3.028 5.329 1.00 0.00 H new ATOM 0 HA CYS A 73 4.430 -0.905 3.445 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.909 0.528 5.323 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.825 -0.754 5.826 1.00 0.00 H new ATOM 0 HG CYS A 73 5.290 -1.217 7.949 1.00 0.00 H new ATOM 1617 N ARG A 74 6.827 0.202 3.332 1.00 0.00 N ATOM 1618 CA ARG A 74 8.134 0.565 2.793 1.00 0.00 C ATOM 1619 C ARG A 74 9.240 0.255 3.795 1.00 0.00 C ATOM 1620 O ARG A 74 10.266 -0.331 3.444 1.00 0.00 O ATOM 1621 CB ARG A 74 8.168 2.050 2.428 1.00 0.00 C ATOM 1622 CG ARG A 74 7.010 2.496 1.548 1.00 0.00 C ATOM 1623 CD ARG A 74 6.882 4.012 1.522 1.00 0.00 C ATOM 1624 NE ARG A 74 7.967 4.642 0.766 1.00 0.00 N ATOM 1625 CZ ARG A 74 8.879 5.461 1.302 1.00 0.00 C ATOM 1626 NH1 ARG A 74 8.873 5.716 2.604 1.00 0.00 N ATOM 1627 NH2 ARG A 74 9.810 6.016 0.537 1.00 0.00 N ATOM 0 H ARG A 74 6.165 0.976 3.388 1.00 0.00 H new ATOM 0 HA ARG A 74 8.302 -0.027 1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.163 2.639 3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.105 2.267 1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.158 2.125 0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.082 2.058 1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.925 4.287 1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.883 4.393 2.543 1.00 0.00 H new ATOM 0 HE ARG A 74 8.031 4.444 -0.232 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.169 5.286 3.205 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.572 6.342 3.004 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.832 5.819 -0.464 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.504 6.640 0.949 1.00 0.00 H new ATOM 1641 N ASN A 75 9.012 0.630 5.047 1.00 0.00 N ATOM 1642 CA ASN A 75 9.995 0.425 6.102 1.00 0.00 C ATOM 1643 C ASN A 75 10.179 -1.056 6.390 1.00 0.00 C ATOM 1644 O ASN A 75 11.305 -1.537 6.531 1.00 0.00 O ATOM 1645 CB ASN A 75 9.561 1.144 7.383 1.00 0.00 C ATOM 1646 CG ASN A 75 10.615 1.091 8.475 1.00 0.00 C ATOM 1647 OD1 ASN A 75 10.627 0.182 9.306 1.00 0.00 O ATOM 1648 ND2 ASN A 75 11.508 2.064 8.478 1.00 0.00 N ATOM 0 H ASN A 75 8.151 1.080 5.357 1.00 0.00 H new ATOM 0 HA ASN A 75 10.944 0.838 5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.337 2.185 7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.639 0.694 7.752 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.242 2.080 9.186 1.00 0.00 H new ATOM 0 HD22 ASN A 75 11.464 2.799 7.772 1.00 0.00 H new ATOM 1655 N ASP A 76 9.071 -1.777 6.445 1.00 0.00 N ATOM 1656 CA ASP A 76 9.084 -3.169 6.859 1.00 0.00 C ATOM 1657 C ASP A 76 9.751 -4.061 5.836 1.00 0.00 C ATOM 1658 O ASP A 76 10.556 -4.915 6.191 1.00 0.00 O ATOM 1659 CB ASP A 76 7.671 -3.672 7.111 1.00 0.00 C ATOM 1660 CG ASP A 76 7.439 -3.981 8.567 1.00 0.00 C ATOM 1661 OD1 ASP A 76 8.322 -4.625 9.192 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.389 -3.583 9.104 1.00 0.00 O ATOM 0 H ASP A 76 8.147 -1.418 6.206 1.00 0.00 H new ATOM 0 HA ASP A 76 9.661 -3.213 7.783 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.953 -2.921 6.780 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.493 -4.568 6.516 1.00 0.00 H new ATOM 1667 N TYR A 77 9.416 -3.868 4.568 1.00 0.00 N ATOM 1668 CA TYR A 77 9.936 -4.729 3.518 1.00 0.00 C ATOM 1669 C TYR A 77 11.460 -4.714 3.490 1.00 0.00 C ATOM 1670 O TYR A 77 12.091 -5.766 3.401 1.00 0.00 O ATOM 1671 CB TYR A 77 9.389 -4.332 2.147 1.00 0.00 C ATOM 1672 CG TYR A 77 10.026 -5.120 1.024 1.00 0.00 C ATOM 1673 CD1 TYR A 77 10.054 -6.512 1.054 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.626 -4.475 -0.047 1.00 0.00 C ATOM 1675 CE1 TYR A 77 10.666 -7.233 0.050 1.00 0.00 C ATOM 1676 CE2 TYR A 77 11.232 -5.190 -1.060 1.00 0.00 C ATOM 1677 CZ TYR A 77 11.251 -6.567 -1.005 1.00 0.00 C ATOM 1678 OH TYR A 77 11.875 -7.281 -2.000 1.00 0.00 O ATOM 0 H TYR A 77 8.792 -3.129 4.244 1.00 0.00 H new ATOM 0 HA TYR A 77 9.602 -5.741 3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.310 -4.487 2.130 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.561 -3.268 1.984 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.589 -7.035 1.876 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.619 -3.396 -0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.687 -8.312 0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.689 -4.673 -1.891 1.00 0.00 H new ATOM 0 HH TYR A 77 12.845 -7.155 -1.935 1.00 0.00 H new ATOM 1688 N ILE A 78 12.050 -3.532 3.583 1.00 0.00 N ATOM 1689 CA ILE A 78 13.501 -3.410 3.515 1.00 0.00 C ATOM 1690 C ILE A 78 14.142 -3.891 4.815 1.00 0.00 C ATOM 1691 O ILE A 78 15.248 -4.429 4.813 1.00 0.00 O ATOM 1692 CB ILE A 78 13.945 -1.961 3.222 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.088 -1.353 2.107 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.418 -1.927 2.835 1.00 0.00 C ATOM 1695 CD1 ILE A 78 13.272 0.141 1.947 1.00 0.00 C ATOM 0 H ILE A 78 11.553 -2.650 3.705 1.00 0.00 H new ATOM 0 HA ILE A 78 13.836 -4.039 2.690 1.00 0.00 H new ATOM 0 HB ILE A 78 13.808 -1.368 4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 78 13.332 -1.844 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.038 -1.561 2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.717 -0.899 2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.018 -2.324 3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.574 -2.534 1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.634 0.502 1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.000 0.643 2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.314 0.356 1.710 1.00 0.00 H new ATOM 1707 N ARG A 79 13.425 -3.715 5.916 1.00 0.00 N ATOM 1708 CA ARG A 79 13.897 -4.155 7.225 1.00 0.00 C ATOM 1709 C ARG A 79 13.807 -5.674 7.352 1.00 0.00 C ATOM 1710 O ARG A 79 14.527 -6.289 8.140 1.00 0.00 O ATOM 1711 CB ARG A 79 13.079 -3.483 8.332 1.00 0.00 C ATOM 1712 CG ARG A 79 13.670 -3.646 9.724 1.00 0.00 C ATOM 1713 CD ARG A 79 12.602 -3.535 10.801 1.00 0.00 C ATOM 1714 NE ARG A 79 11.387 -4.279 10.458 1.00 0.00 N ATOM 1715 CZ ARG A 79 11.135 -5.527 10.862 1.00 0.00 C ATOM 1716 NH1 ARG A 79 11.979 -6.160 11.662 1.00 0.00 N ATOM 1717 NH2 ARG A 79 10.020 -6.134 10.485 1.00 0.00 N ATOM 0 H ARG A 79 12.508 -3.268 5.930 1.00 0.00 H new ATOM 0 HA ARG A 79 14.942 -3.865 7.329 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.989 -2.420 8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.070 -3.896 8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.164 -4.615 9.799 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.433 -2.885 9.887 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.000 -3.909 11.744 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.352 -2.485 10.954 1.00 0.00 H new ATOM 0 HE ARG A 79 10.691 -3.815 9.875 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.831 -5.695 11.976 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.777 -7.113 11.965 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.353 -5.649 9.886 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.829 -7.087 10.794 1.00 0.00 H new ATOM 1731 N LEU A 80 12.906 -6.272 6.587 1.00 0.00 N ATOM 1732 CA LEU A 80 12.708 -7.711 6.623 1.00 0.00 C ATOM 1733 C LEU A 80 13.511 -8.409 5.527 1.00 0.00 C ATOM 1734 O LEU A 80 14.411 -9.198 5.809 1.00 0.00 O ATOM 1735 CB LEU A 80 11.221 -8.039 6.469 1.00 0.00 C ATOM 1736 CG LEU A 80 10.639 -8.924 7.573 1.00 0.00 C ATOM 1737 CD1 LEU A 80 9.253 -8.438 7.972 1.00 0.00 C ATOM 1738 CD2 LEU A 80 10.590 -10.375 7.122 1.00 0.00 C ATOM 0 H LEU A 80 12.299 -5.780 5.932 1.00 0.00 H new ATOM 0 HA LEU A 80 13.062 -8.076 7.587 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.659 -7.105 6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 80 11.070 -8.534 5.510 1.00 0.00 H new ATOM 0 HG LEU A 80 11.288 -8.859 8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.855 -9.079 8.758 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.318 -7.413 8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.592 -8.473 7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.173 -10.990 7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.963 -10.459 6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.598 -10.718 6.888 1.00 0.00 H new ATOM 1750 N PHE A 81 13.198 -8.097 4.277 1.00 0.00 N ATOM 1751 CA PHE A 81 13.808 -8.782 3.146 1.00 0.00 C ATOM 1752 C PHE A 81 14.806 -7.879 2.435 1.00 0.00 C ATOM 1753 O PHE A 81 15.996 -7.877 2.755 1.00 0.00 O ATOM 1754 CB PHE A 81 12.738 -9.239 2.149 1.00 0.00 C ATOM 1755 CG PHE A 81 11.689 -10.138 2.737 1.00 0.00 C ATOM 1756 CD1 PHE A 81 11.900 -11.506 2.829 1.00 0.00 C ATOM 1757 CD2 PHE A 81 10.487 -9.619 3.189 1.00 0.00 C ATOM 1758 CE1 PHE A 81 10.935 -12.336 3.363 1.00 0.00 C ATOM 1759 CE2 PHE A 81 9.517 -10.446 3.724 1.00 0.00 C ATOM 1760 CZ PHE A 81 9.743 -11.805 3.810 1.00 0.00 C ATOM 0 H PHE A 81 12.525 -7.374 4.021 1.00 0.00 H new ATOM 0 HA PHE A 81 14.334 -9.654 3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 81 12.251 -8.359 1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 81 13.225 -9.759 1.324 1.00 0.00 H new ATOM 0 HD1 PHE A 81 12.831 -11.927 2.478 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.306 -8.556 3.123 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.113 -13.399 3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.584 -10.030 4.074 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.986 -12.453 4.227 1.00 0.00 H new ATOM 1770 N GLY A 82 14.309 -7.103 1.482 1.00 0.00 N ATOM 1771 CA GLY A 82 15.169 -6.279 0.666 1.00 0.00 C ATOM 1772 C GLY A 82 15.242 -6.805 -0.751 1.00 0.00 C ATOM 1773 O GLY A 82 16.228 -6.514 -1.453 1.00 0.00 O ATOM 1774 OXT GLY A 82 14.312 -7.532 -1.161 1.00 0.00 O ATOM 0 H GLY A 82 13.316 -7.031 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.796 -5.255 0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.169 -6.251 1.099 1.00 0.00 H new