USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=27 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 50 CYS SG : rot 153:sc= 0.963 USER MOD Set 1.2: A 53 CYS SG : rot -51:sc= -0.631 USER MOD Set 1.3: A 73 CYS SG : rot -131:sc= -1.07! USER MOD Set 1.4: A 75 ASN : amide:sc= 2.22 K(o=1.5,f=-8.2!) USER MOD Set 2.1: A 49 LYS NZ :NH3+ 176:sc= 1.28 (180deg=0) USER MOD Set 2.2: A 54 GLN : amide:sc= 0.874 K(o=2.2,f=-7.9!) USER MOD Set 3.1: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 668 MET CE :methyl -119:sc= -0.341 (180deg=-1.17) USER MOD Set 4.1: A 23 CYS SG : rot -171:sc= 2 USER MOD Set 4.2: A 26 CYS SG : rot -38:sc= 0.628 USER MOD Set 4.3: A 44 HIS : no HE2:sc= -4.17! C(o=-3.2!,f=-5.3!) USER MOD Set 4.4: A 47 CYS SG : rot 138:sc= -1.7! USER MOD Single : A 21 LYS NZ :NH3+ 138:sc= 1.31 (180deg=0.572) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 118:sc= 0.952 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 96:sc= 1.3 USER MOD Single : A 51 SER OG : rot 72:sc= 0.0454 USER MOD Single : A 52 SER OG : rot -110:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 64:sc= -1.28! USER MOD Single : A 63 SER OG : rot 180:sc= 0.127 USER MOD Single : A 64 SER OG : rot 180:sc= 0.143 USER MOD Single : A 65 TYR OH : rot -30:sc= 0.954 USER MOD Single : A 66 THR OG1 : rot 53:sc= 1.23 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -171:sc= 0.318 USER MOD Single : A 70 MET CE :methyl 180:sc= -0.0344 (180deg=-0.0344) USER MOD Single : A 77 TYR OH : rot -85:sc= 1.02 USER MOD Single : A 664 SER OG : rot -83:sc= 0.146 USER MOD Single : A 665 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.0081) USER MOD Single : A 666 TYR OH : rot 180:sc= 0 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0.00224 USER MOD Single : A 675 THR OG1 : rot -159:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 13.116 -1.432 -6.535 1.00 0.00 N ATOM 327 CA LEU A 663 12.240 -2.555 -6.254 1.00 0.00 C ATOM 328 C LEU A 663 11.019 -2.478 -7.160 1.00 0.00 C ATOM 329 O LEU A 663 9.884 -2.572 -6.701 1.00 0.00 O ATOM 330 CB LEU A 663 11.813 -2.552 -4.780 1.00 0.00 C ATOM 331 CG LEU A 663 12.961 -2.587 -3.766 1.00 0.00 C ATOM 332 CD1 LEU A 663 12.511 -2.019 -2.429 1.00 0.00 C ATOM 333 CD2 LEU A 663 13.474 -4.009 -3.596 1.00 0.00 C ATOM 0 HA LEU A 663 12.776 -3.484 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 663 11.213 -1.661 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 663 11.168 -3.413 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 663 13.775 -1.968 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 663 13.340 -2.052 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 663 12.189 -0.986 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 663 11.681 -2.611 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 663 14.289 -4.018 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 663 12.666 -4.647 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 663 13.835 -4.382 -4.554 1.00 0.00 H new ATOM 345 N SER A 664 11.276 -2.304 -8.449 1.00 0.00 N ATOM 346 CA SER A 664 10.237 -2.089 -9.453 1.00 0.00 C ATOM 347 C SER A 664 9.149 -3.165 -9.414 1.00 0.00 C ATOM 348 O SER A 664 7.965 -2.857 -9.283 1.00 0.00 O ATOM 349 CB SER A 664 10.903 -2.060 -10.824 1.00 0.00 C ATOM 350 OG SER A 664 12.291 -2.324 -10.690 1.00 0.00 O ATOM 0 H SER A 664 12.221 -2.308 -8.834 1.00 0.00 H new ATOM 0 HA SER A 664 9.739 -1.143 -9.241 1.00 0.00 H new ATOM 0 HB2 SER A 664 10.444 -2.802 -11.477 1.00 0.00 H new ATOM 0 HB3 SER A 664 10.752 -1.087 -11.291 1.00 0.00 H new ATOM 0 HG SER A 664 12.760 -1.497 -10.452 1.00 0.00 H new ATOM 356 N GLN A 665 9.562 -4.421 -9.499 1.00 0.00 N ATOM 357 CA GLN A 665 8.622 -5.539 -9.552 1.00 0.00 C ATOM 358 C GLN A 665 7.963 -5.785 -8.197 1.00 0.00 C ATOM 359 O GLN A 665 7.010 -6.558 -8.088 1.00 0.00 O ATOM 360 CB GLN A 665 9.342 -6.812 -10.000 1.00 0.00 C ATOM 361 CG GLN A 665 10.292 -6.606 -11.168 1.00 0.00 C ATOM 362 CD GLN A 665 9.590 -6.722 -12.507 1.00 0.00 C ATOM 363 OE1 GLN A 665 9.626 -5.796 -13.319 1.00 0.00 O ATOM 364 NE2 GLN A 665 8.943 -7.853 -12.745 1.00 0.00 N ATOM 0 H GLN A 665 10.544 -4.695 -9.533 1.00 0.00 H new ATOM 0 HA GLN A 665 7.845 -5.279 -10.271 1.00 0.00 H new ATOM 0 HB2 GLN A 665 9.902 -7.217 -9.157 1.00 0.00 H new ATOM 0 HB3 GLN A 665 8.599 -7.559 -10.277 1.00 0.00 H new ATOM 0 HG2 GLN A 665 10.756 -5.623 -11.087 1.00 0.00 H new ATOM 0 HG3 GLN A 665 11.094 -7.342 -11.116 1.00 0.00 H new ATOM 0 HE21 GLN A 665 8.938 -8.595 -12.045 1.00 0.00 H new ATOM 0 HE22 GLN A 665 8.449 -7.982 -13.628 1.00 0.00 H new ATOM 373 N TYR A 666 8.470 -5.124 -7.167 1.00 0.00 N ATOM 374 CA TYR A 666 8.014 -5.375 -5.809 1.00 0.00 C ATOM 375 C TYR A 666 6.887 -4.431 -5.405 1.00 0.00 C ATOM 376 O TYR A 666 6.117 -4.740 -4.497 1.00 0.00 O ATOM 377 CB TYR A 666 9.180 -5.257 -4.824 1.00 0.00 C ATOM 378 CG TYR A 666 10.282 -6.272 -5.059 1.00 0.00 C ATOM 379 CD1 TYR A 666 11.275 -6.043 -6.008 1.00 0.00 C ATOM 380 CD2 TYR A 666 10.334 -7.453 -4.330 1.00 0.00 C ATOM 381 CE1 TYR A 666 12.281 -6.964 -6.226 1.00 0.00 C ATOM 382 CE2 TYR A 666 11.341 -8.378 -4.542 1.00 0.00 C ATOM 383 CZ TYR A 666 12.311 -8.127 -5.490 1.00 0.00 C ATOM 384 OH TYR A 666 13.315 -9.042 -5.702 1.00 0.00 O ATOM 0 H TYR A 666 9.196 -4.411 -7.246 1.00 0.00 H new ATOM 0 HA TYR A 666 7.621 -6.391 -5.779 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.601 -4.254 -4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.800 -5.375 -3.809 1.00 0.00 H new ATOM 0 HD1 TYR A 666 11.258 -5.129 -6.584 1.00 0.00 H new ATOM 0 HD2 TYR A 666 9.577 -7.652 -3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 666 13.040 -6.773 -6.970 1.00 0.00 H new ATOM 0 HE2 TYR A 666 11.367 -9.292 -3.968 1.00 0.00 H new ATOM 0 HH TYR A 666 13.193 -9.807 -5.102 1.00 0.00 H new ATOM 394 N LYS A 667 6.786 -3.285 -6.077 1.00 0.00 N ATOM 395 CA LYS A 667 5.750 -2.311 -5.745 1.00 0.00 C ATOM 396 C LYS A 667 4.457 -2.628 -6.481 1.00 0.00 C ATOM 397 O LYS A 667 4.447 -2.822 -7.697 1.00 0.00 O ATOM 398 CB LYS A 667 6.176 -0.870 -6.068 1.00 0.00 C ATOM 399 CG LYS A 667 7.449 -0.737 -6.888 1.00 0.00 C ATOM 400 CD LYS A 667 8.021 0.671 -6.785 1.00 0.00 C ATOM 401 CE LYS A 667 9.126 0.904 -7.802 1.00 0.00 C ATOM 402 NZ LYS A 667 8.659 1.707 -8.963 1.00 0.00 N ATOM 0 H LYS A 667 7.400 -3.011 -6.844 1.00 0.00 H new ATOM 0 HA LYS A 667 5.590 -2.384 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 667 5.364 -0.381 -6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 667 6.309 -0.329 -5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 667 8.187 -1.459 -6.540 1.00 0.00 H new ATOM 0 HG3 LYS A 667 7.240 -0.973 -7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 667 7.225 1.399 -6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 667 8.411 0.833 -5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 667 9.959 1.415 -7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 667 9.502 -0.057 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 9.445 1.841 -9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 7.881 1.208 -9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 8.324 2.634 -8.632 1.00 0.00 H new ATOM 416 N MET A 668 3.373 -2.689 -5.730 1.00 0.00 N ATOM 417 CA MET A 668 2.055 -2.893 -6.305 1.00 0.00 C ATOM 418 C MET A 668 1.365 -1.552 -6.516 1.00 0.00 C ATOM 419 O MET A 668 1.484 -0.649 -5.684 1.00 0.00 O ATOM 420 CB MET A 668 1.206 -3.791 -5.398 1.00 0.00 C ATOM 421 CG MET A 668 0.979 -3.228 -4.000 1.00 0.00 C ATOM 422 SD MET A 668 0.441 -4.484 -2.824 1.00 0.00 S ATOM 423 CE MET A 668 1.916 -5.489 -2.704 1.00 0.00 C ATOM 0 H MET A 668 3.379 -2.600 -4.714 1.00 0.00 H new ATOM 0 HA MET A 668 2.168 -3.388 -7.270 1.00 0.00 H new ATOM 0 HB2 MET A 668 0.239 -3.957 -5.872 1.00 0.00 H new ATOM 0 HB3 MET A 668 1.690 -4.764 -5.312 1.00 0.00 H new ATOM 0 HG2 MET A 668 1.902 -2.772 -3.642 1.00 0.00 H new ATOM 0 HG3 MET A 668 0.231 -2.437 -4.048 1.00 0.00 H new ATOM 0 HE1 MET A 668 1.693 -6.503 -3.034 1.00 0.00 H new ATOM 0 HE2 MET A 668 2.697 -5.065 -3.335 1.00 0.00 H new ATOM 0 HE3 MET A 668 2.258 -5.511 -1.669 1.00 0.00 H new ATOM 433 N ASP A 669 0.665 -1.416 -7.629 1.00 0.00 N ATOM 434 CA ASP A 669 -0.052 -0.183 -7.923 1.00 0.00 C ATOM 435 C ASP A 669 -1.410 -0.198 -7.240 1.00 0.00 C ATOM 436 O ASP A 669 -2.251 -1.051 -7.524 1.00 0.00 O ATOM 437 CB ASP A 669 -0.225 0.004 -9.435 1.00 0.00 C ATOM 438 CG ASP A 669 -1.111 1.193 -9.782 1.00 0.00 C ATOM 439 OD1 ASP A 669 -1.041 2.227 -9.082 1.00 0.00 O ATOM 440 OD2 ASP A 669 -1.879 1.099 -10.767 1.00 0.00 O ATOM 0 H ASP A 669 0.577 -2.140 -8.342 1.00 0.00 H new ATOM 0 HA ASP A 669 0.533 0.654 -7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 669 0.754 0.139 -9.895 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -0.655 -0.902 -9.862 1.00 0.00 H new ATOM 445 N VAL A 670 -1.612 0.738 -6.327 1.00 0.00 N ATOM 446 CA VAL A 670 -2.866 0.833 -5.603 1.00 0.00 C ATOM 447 C VAL A 670 -3.876 1.626 -6.416 1.00 0.00 C ATOM 448 O VAL A 670 -3.891 2.859 -6.379 1.00 0.00 O ATOM 449 CB VAL A 670 -2.682 1.500 -4.221 1.00 0.00 C ATOM 450 CG1 VAL A 670 -3.937 1.346 -3.373 1.00 0.00 C ATOM 451 CG2 VAL A 670 -1.473 0.920 -3.503 1.00 0.00 C ATOM 0 H VAL A 670 -0.921 1.443 -6.070 1.00 0.00 H new ATOM 0 HA VAL A 670 -3.230 -0.182 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 670 -2.509 2.565 -4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -3.783 1.823 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.779 1.817 -3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -4.149 0.287 -3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -1.360 1.402 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.613 -0.152 -3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.578 1.093 -4.100 1.00 0.00 H new ATOM 461 N THR A 671 -4.697 0.914 -7.170 1.00 0.00 N ATOM 462 CA THR A 671 -5.749 1.533 -7.956 1.00 0.00 C ATOM 463 C THR A 671 -7.023 1.655 -7.131 1.00 0.00 C ATOM 464 O THR A 671 -7.734 0.675 -6.914 1.00 0.00 O ATOM 465 CB THR A 671 -6.035 0.723 -9.237 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.905 -0.103 -9.551 1.00 0.00 O ATOM 467 CG2 THR A 671 -6.336 1.647 -10.405 1.00 0.00 C ATOM 0 H THR A 671 -4.653 -0.102 -7.254 1.00 0.00 H new ATOM 0 HA THR A 671 -5.409 2.528 -8.244 1.00 0.00 H new ATOM 0 HB THR A 671 -6.908 0.095 -9.060 1.00 0.00 H new ATOM 0 HG1 THR A 671 -5.091 -0.617 -10.364 1.00 0.00 H new ATOM 0 HG21 THR A 671 -6.534 1.053 -11.297 1.00 0.00 H new ATOM 0 HG22 THR A 671 -7.210 2.255 -10.172 1.00 0.00 H new ATOM 0 HG23 THR A 671 -5.480 2.297 -10.585 1.00 0.00 H new ATOM 475 N VAL A 672 -7.298 2.858 -6.658 1.00 0.00 N ATOM 476 CA VAL A 672 -8.475 3.102 -5.838 1.00 0.00 C ATOM 477 C VAL A 672 -9.688 3.363 -6.720 1.00 0.00 C ATOM 478 O VAL A 672 -9.666 4.253 -7.568 1.00 0.00 O ATOM 479 CB VAL A 672 -8.272 4.293 -4.876 1.00 0.00 C ATOM 480 CG1 VAL A 672 -9.176 4.158 -3.662 1.00 0.00 C ATOM 481 CG2 VAL A 672 -6.816 4.401 -4.444 1.00 0.00 C ATOM 0 H VAL A 672 -6.722 3.683 -6.827 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.641 2.207 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 672 -8.538 5.206 -5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -9.019 5.006 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -10.217 4.137 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -8.941 3.234 -3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -6.699 5.247 -3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -6.519 3.485 -3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -6.186 4.549 -5.321 1.00 0.00 H new ATOM 491 N ILE A 673 -10.735 2.580 -6.521 1.00 0.00 N ATOM 492 CA ILE A 673 -11.929 2.681 -7.343 1.00 0.00 C ATOM 493 C ILE A 673 -12.856 3.766 -6.808 1.00 0.00 C ATOM 494 O ILE A 673 -13.241 3.754 -5.638 1.00 0.00 O ATOM 495 CB ILE A 673 -12.681 1.328 -7.421 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.942 0.366 -8.358 1.00 0.00 C ATOM 497 CG2 ILE A 673 -14.115 1.528 -7.896 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.976 -0.556 -7.646 1.00 0.00 C ATOM 0 H ILE A 673 -10.782 1.865 -5.795 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.613 2.949 -8.351 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.711 0.896 -6.421 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.674 -0.236 -8.897 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -11.396 0.946 -9.102 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.621 0.564 -7.942 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.641 2.181 -7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -14.110 1.983 -8.887 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -10.491 -1.207 -8.374 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -10.221 0.037 -7.129 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.519 -1.163 -6.922 1.00 0.00 H new ATOM 510 N ASP A 674 -13.193 4.705 -7.680 1.00 0.00 N ATOM 511 CA ASP A 674 -14.092 5.797 -7.342 1.00 0.00 C ATOM 512 C ASP A 674 -15.535 5.301 -7.359 1.00 0.00 C ATOM 513 O ASP A 674 -16.142 5.163 -8.424 1.00 0.00 O ATOM 514 CB ASP A 674 -13.900 6.951 -8.334 1.00 0.00 C ATOM 515 CG ASP A 674 -15.003 7.989 -8.271 1.00 0.00 C ATOM 516 OD1 ASP A 674 -15.234 8.560 -7.184 1.00 0.00 O ATOM 517 OD2 ASP A 674 -15.627 8.252 -9.317 1.00 0.00 O ATOM 0 H ASP A 674 -12.851 4.731 -8.641 1.00 0.00 H new ATOM 0 HA ASP A 674 -13.864 6.161 -6.340 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -12.944 7.435 -8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -13.849 6.547 -9.345 1.00 0.00 H new ATOM 522 N THR A 675 -16.057 4.991 -6.181 1.00 0.00 N ATOM 523 CA THR A 675 -17.406 4.466 -6.048 1.00 0.00 C ATOM 524 C THR A 675 -18.460 5.506 -6.416 1.00 0.00 C ATOM 525 O THR A 675 -18.569 6.554 -5.780 1.00 0.00 O ATOM 526 CB THR A 675 -17.653 3.968 -4.617 1.00 0.00 C ATOM 527 OG1 THR A 675 -16.396 3.778 -3.956 1.00 0.00 O ATOM 528 CG2 THR A 675 -18.434 2.662 -4.622 1.00 0.00 C ATOM 0 H THR A 675 -15.560 5.096 -5.296 1.00 0.00 H new ATOM 0 HA THR A 675 -17.495 3.632 -6.744 1.00 0.00 H new ATOM 0 HB THR A 675 -18.242 4.715 -4.085 1.00 0.00 H new ATOM 0 HG1 THR A 675 -16.515 3.171 -3.196 1.00 0.00 H new ATOM 0 HG21 THR A 675 -18.596 2.331 -3.596 1.00 0.00 H new ATOM 0 HG22 THR A 675 -19.397 2.816 -5.110 1.00 0.00 H new ATOM 0 HG23 THR A 675 -17.870 1.903 -5.164 1.00 0.00 H new ATOM 806 N TRP A 20 -21.745 -8.916 -1.163 1.00 0.00 N ATOM 807 CA TRP A 20 -21.460 -7.786 -2.057 1.00 0.00 C ATOM 808 C TRP A 20 -20.162 -8.009 -2.825 1.00 0.00 C ATOM 809 O TRP A 20 -20.162 -8.467 -3.967 1.00 0.00 O ATOM 810 CB TRP A 20 -21.386 -6.449 -1.296 1.00 0.00 C ATOM 811 CG TRP A 20 -22.366 -6.312 -0.166 1.00 0.00 C ATOM 812 CD1 TRP A 20 -23.726 -6.409 -0.230 1.00 0.00 C ATOM 813 CD2 TRP A 20 -22.048 -6.037 1.203 1.00 0.00 C ATOM 814 NE1 TRP A 20 -24.270 -6.214 1.017 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.261 -5.984 1.913 1.00 0.00 C ATOM 816 CE3 TRP A 20 -20.853 -5.832 1.896 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -23.314 -5.735 3.281 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -20.907 -5.584 3.256 1.00 0.00 C ATOM 819 CH2 TRP A 20 -22.130 -5.538 3.936 1.00 0.00 C ATOM 0 HA TRP A 20 -22.290 -7.730 -2.762 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -20.378 -6.328 -0.900 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -21.551 -5.635 -2.002 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -24.291 -6.609 -1.128 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -25.265 -6.237 1.239 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -19.905 -5.866 1.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.257 -5.699 3.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -19.990 -5.423 3.803 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -22.138 -5.343 4.998 1.00 0.00 H new ATOM 830 N LYS A 21 -19.065 -7.664 -2.186 1.00 0.00 N ATOM 831 CA LYS A 21 -17.740 -7.865 -2.741 1.00 0.00 C ATOM 832 C LYS A 21 -16.837 -8.481 -1.681 1.00 0.00 C ATOM 833 O LYS A 21 -16.707 -7.941 -0.579 1.00 0.00 O ATOM 834 CB LYS A 21 -17.153 -6.541 -3.242 1.00 0.00 C ATOM 835 CG LYS A 21 -17.511 -6.217 -4.686 1.00 0.00 C ATOM 836 CD LYS A 21 -17.423 -7.446 -5.579 1.00 0.00 C ATOM 837 CE LYS A 21 -18.333 -7.321 -6.790 1.00 0.00 C ATOM 838 NZ LYS A 21 -19.576 -8.129 -6.647 1.00 0.00 N ATOM 0 H LYS A 21 -19.065 -7.234 -1.261 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.811 -8.542 -3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -17.504 -5.733 -2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.068 -6.576 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.521 -5.809 -4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.840 -5.445 -5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.393 -7.584 -5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.696 -8.333 -5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.598 -6.274 -6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.794 -7.642 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.389 -7.579 -6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.488 -9.002 -7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.720 -8.371 -5.646 1.00 0.00 H new ATOM 852 N ARG A 22 -16.232 -9.613 -2.006 1.00 0.00 N ATOM 853 CA ARG A 22 -15.432 -10.348 -1.040 1.00 0.00 C ATOM 854 C ARG A 22 -13.945 -10.178 -1.321 1.00 0.00 C ATOM 855 O ARG A 22 -13.444 -10.602 -2.365 1.00 0.00 O ATOM 856 CB ARG A 22 -15.803 -11.830 -1.069 1.00 0.00 C ATOM 857 CG ARG A 22 -15.680 -12.512 0.280 1.00 0.00 C ATOM 858 CD ARG A 22 -17.000 -13.127 0.708 1.00 0.00 C ATOM 859 NE ARG A 22 -16.877 -13.860 1.965 1.00 0.00 N ATOM 860 CZ ARG A 22 -17.672 -14.864 2.325 1.00 0.00 C ATOM 861 NH1 ARG A 22 -18.676 -15.234 1.540 1.00 0.00 N ATOM 862 NH2 ARG A 22 -17.465 -15.497 3.470 1.00 0.00 N ATOM 0 H ARG A 22 -16.280 -10.042 -2.930 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.641 -9.945 -0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.827 -11.933 -1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -15.162 -12.343 -1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.914 -13.286 0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.354 -11.789 1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.748 -12.342 0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.357 -13.800 -0.072 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.134 -13.585 2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.840 -14.748 0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.284 -16.004 1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.695 -15.215 4.077 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.075 -16.267 3.745 1.00 0.00 H new ATOM 876 N CYS A 23 -13.258 -9.552 -0.383 1.00 0.00 N ATOM 877 CA CYS A 23 -11.833 -9.304 -0.477 1.00 0.00 C ATOM 878 C CYS A 23 -11.030 -10.581 -0.249 1.00 0.00 C ATOM 879 O CYS A 23 -11.511 -11.531 0.376 1.00 0.00 O ATOM 880 CB CYS A 23 -11.476 -8.272 0.569 1.00 0.00 C ATOM 881 SG CYS A 23 -12.638 -8.272 1.955 1.00 0.00 S ATOM 0 H CYS A 23 -13.680 -9.198 0.475 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.589 -8.945 -1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.470 -8.467 0.941 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.460 -7.283 0.111 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.395 -7.253 2.725 1.00 0.00 H new ATOM 886 N ALA A 24 -9.813 -10.603 -0.765 1.00 0.00 N ATOM 887 CA ALA A 24 -8.941 -11.758 -0.608 1.00 0.00 C ATOM 888 C ALA A 24 -8.203 -11.731 0.733 1.00 0.00 C ATOM 889 O ALA A 24 -7.535 -12.699 1.098 1.00 0.00 O ATOM 890 CB ALA A 24 -7.946 -11.827 -1.756 1.00 0.00 C ATOM 0 H ALA A 24 -9.405 -9.834 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.567 -12.650 -0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.300 -12.695 -1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.485 -11.913 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.339 -10.922 -1.766 1.00 0.00 H new ATOM 896 N GLY A 25 -8.331 -10.628 1.464 1.00 0.00 N ATOM 897 CA GLY A 25 -7.614 -10.476 2.718 1.00 0.00 C ATOM 898 C GLY A 25 -8.384 -11.017 3.912 1.00 0.00 C ATOM 899 O GLY A 25 -8.199 -12.173 4.305 1.00 0.00 O ATOM 0 H GLY A 25 -8.920 -9.835 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.656 -10.991 2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.397 -9.420 2.881 1.00 0.00 H new ATOM 903 N CYS A 26 -9.235 -10.179 4.497 1.00 0.00 N ATOM 904 CA CYS A 26 -10.012 -10.570 5.664 1.00 0.00 C ATOM 905 C CYS A 26 -11.081 -11.594 5.285 1.00 0.00 C ATOM 906 O CYS A 26 -11.415 -12.476 6.077 1.00 0.00 O ATOM 907 CB CYS A 26 -10.601 -9.327 6.368 1.00 0.00 C ATOM 908 SG CYS A 26 -12.094 -8.584 5.617 1.00 0.00 S ATOM 0 H CYS A 26 -9.403 -9.224 4.180 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.351 -11.057 6.382 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.838 -9.599 7.397 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -9.826 -8.562 6.411 1.00 0.00 H new ATOM 0 HG CYS A 26 -12.000 -8.637 4.321 1.00 0.00 H new ATOM 913 N GLY A 27 -11.588 -11.485 4.063 1.00 0.00 N ATOM 914 CA GLY A 27 -12.473 -12.504 3.527 1.00 0.00 C ATOM 915 C GLY A 27 -13.910 -12.350 3.965 1.00 0.00 C ATOM 916 O GLY A 27 -14.753 -13.183 3.630 1.00 0.00 O ATOM 0 H GLY A 27 -11.402 -10.706 3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.429 -12.475 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.112 -13.485 3.835 1.00 0.00 H new ATOM 920 N GLY A 28 -14.196 -11.302 4.719 1.00 0.00 N ATOM 921 CA GLY A 28 -15.556 -11.064 5.151 1.00 0.00 C ATOM 922 C GLY A 28 -16.383 -10.418 4.058 1.00 0.00 C ATOM 923 O GLY A 28 -16.976 -11.105 3.227 1.00 0.00 O ATOM 0 H GLY A 28 -13.514 -10.614 5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.015 -12.008 5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.552 -10.422 6.032 1.00 0.00 H new ATOM 927 N LYS A 29 -16.414 -9.097 4.060 1.00 0.00 N ATOM 928 CA LYS A 29 -17.101 -8.331 3.032 1.00 0.00 C ATOM 929 C LYS A 29 -16.678 -6.875 3.132 1.00 0.00 C ATOM 930 O LYS A 29 -16.415 -6.374 4.229 1.00 0.00 O ATOM 931 CB LYS A 29 -18.622 -8.455 3.174 1.00 0.00 C ATOM 932 CG LYS A 29 -19.134 -8.203 4.584 1.00 0.00 C ATOM 933 CD LYS A 29 -19.911 -9.395 5.120 1.00 0.00 C ATOM 934 CE LYS A 29 -21.410 -9.193 4.977 1.00 0.00 C ATOM 935 NZ LYS A 29 -22.157 -10.469 5.134 1.00 0.00 N ATOM 0 H LYS A 29 -15.964 -8.524 4.774 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.828 -8.727 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -19.099 -7.749 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.926 -9.454 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -18.293 -7.990 5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -19.773 -7.320 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -19.612 -10.296 4.585 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -19.662 -9.550 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -21.753 -8.477 5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -21.627 -8.763 3.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.176 -10.290 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -21.848 -11.144 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -21.970 -10.867 6.076 1.00 0.00 H new ATOM 949 N ILE A 30 -16.588 -6.204 1.996 1.00 0.00 N ATOM 950 CA ILE A 30 -16.161 -4.818 1.983 1.00 0.00 C ATOM 951 C ILE A 30 -17.267 -3.902 2.500 1.00 0.00 C ATOM 952 O ILE A 30 -18.285 -3.688 1.840 1.00 0.00 O ATOM 953 CB ILE A 30 -15.718 -4.377 0.570 1.00 0.00 C ATOM 954 CG1 ILE A 30 -14.551 -5.246 0.091 1.00 0.00 C ATOM 955 CG2 ILE A 30 -15.325 -2.905 0.558 1.00 0.00 C ATOM 956 CD1 ILE A 30 -14.241 -5.101 -1.384 1.00 0.00 C ATOM 0 H ILE A 30 -16.803 -6.594 1.078 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.301 -4.736 2.648 1.00 0.00 H new ATOM 0 HB ILE A 30 -16.559 -4.507 -0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.661 -4.990 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.778 -6.291 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -15.017 -2.619 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -16.178 -2.298 0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.499 -2.743 1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -13.403 -5.748 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.115 -5.386 -1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.981 -4.065 -1.601 1.00 0.00 H new ATOM 968 N ALA A 31 -17.053 -3.367 3.692 1.00 0.00 N ATOM 969 CA ALA A 31 -17.985 -2.426 4.290 1.00 0.00 C ATOM 970 C ALA A 31 -17.410 -1.020 4.218 1.00 0.00 C ATOM 971 O ALA A 31 -17.812 -0.121 4.956 1.00 0.00 O ATOM 972 CB ALA A 31 -18.285 -2.815 5.729 1.00 0.00 C ATOM 0 H ALA A 31 -16.236 -3.571 4.267 1.00 0.00 H new ATOM 0 HA ALA A 31 -18.922 -2.450 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.985 -2.099 6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.725 -3.812 5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.361 -2.813 6.307 1.00 0.00 H new ATOM 978 N ASP A 32 -16.448 -0.857 3.326 1.00 0.00 N ATOM 979 CA ASP A 32 -15.803 0.428 3.107 1.00 0.00 C ATOM 980 C ASP A 32 -16.557 1.210 2.048 1.00 0.00 C ATOM 981 O ASP A 32 -17.510 0.705 1.452 1.00 0.00 O ATOM 982 CB ASP A 32 -14.354 0.223 2.666 1.00 0.00 C ATOM 983 CG ASP A 32 -13.395 1.195 3.325 1.00 0.00 C ATOM 984 OD1 ASP A 32 -13.777 2.361 3.561 1.00 0.00 O ATOM 985 OD2 ASP A 32 -12.254 0.790 3.621 1.00 0.00 O ATOM 0 H ASP A 32 -16.092 -1.608 2.735 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.811 0.989 4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.049 -0.797 2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.290 0.334 1.584 1.00 0.00 H new ATOM 990 N ARG A 33 -16.138 2.440 1.816 1.00 0.00 N ATOM 991 CA ARG A 33 -16.740 3.250 0.773 1.00 0.00 C ATOM 992 C ARG A 33 -15.984 3.050 -0.531 1.00 0.00 C ATOM 993 O ARG A 33 -16.567 2.700 -1.556 1.00 0.00 O ATOM 994 CB ARG A 33 -16.742 4.727 1.178 1.00 0.00 C ATOM 995 CG ARG A 33 -17.268 5.656 0.098 1.00 0.00 C ATOM 996 CD ARG A 33 -16.594 7.016 0.157 1.00 0.00 C ATOM 997 NE ARG A 33 -17.119 7.836 1.247 1.00 0.00 N ATOM 998 CZ ARG A 33 -16.368 8.373 2.209 1.00 0.00 C ATOM 999 NH1 ARG A 33 -15.056 8.160 2.234 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -16.940 9.117 3.148 1.00 0.00 N ATOM 0 H ARG A 33 -15.387 2.898 2.332 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.775 2.938 0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -17.349 4.848 2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.726 5.025 1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -17.101 5.208 -0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -18.345 5.777 0.214 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.520 6.884 0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.739 7.535 -0.790 1.00 0.00 H new ATOM 0 HE ARG A 33 -18.124 8.008 1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.619 7.583 1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.486 8.573 2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.948 9.275 3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.372 9.531 3.887 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.677 3.264 -0.477 1.00 0.00 N ATOM 1015 CA PHE A 34 -13.813 3.080 -1.634 1.00 0.00 C ATOM 1016 C PHE A 34 -13.080 1.749 -1.540 1.00 0.00 C ATOM 1017 O PHE A 34 -12.529 1.408 -0.492 1.00 0.00 O ATOM 1018 CB PHE A 34 -12.795 4.220 -1.719 1.00 0.00 C ATOM 1019 CG PHE A 34 -13.235 5.372 -2.578 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -14.527 5.864 -2.496 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -12.354 5.957 -3.472 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -14.932 6.922 -3.287 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -12.750 7.015 -4.264 1.00 0.00 C ATOM 1024 CZ PHE A 34 -14.042 7.495 -4.175 1.00 0.00 C ATOM 0 H PHE A 34 -14.188 3.568 0.365 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.432 3.084 -2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.592 4.587 -0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.857 3.827 -2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.226 5.415 -1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.345 5.581 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.941 7.300 -3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.051 7.467 -4.952 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.357 8.318 -4.799 1.00 0.00 H new ATOM 1034 N LEU A 35 -13.094 0.991 -2.625 1.00 0.00 N ATOM 1035 CA LEU A 35 -12.311 -0.232 -2.703 1.00 0.00 C ATOM 1036 C LEU A 35 -11.039 0.031 -3.494 1.00 0.00 C ATOM 1037 O LEU A 35 -11.030 0.851 -4.413 1.00 0.00 O ATOM 1038 CB LEU A 35 -13.111 -1.375 -3.335 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.941 -1.003 -4.564 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -13.730 -2.019 -5.677 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -15.411 -0.917 -4.191 1.00 0.00 C ATOM 0 H LEU A 35 -13.638 1.200 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.053 -0.540 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.418 -2.168 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.779 -1.787 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.614 -0.028 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.328 -1.739 -6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.676 -2.041 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.034 -3.007 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.995 -0.652 -5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.747 -1.882 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.547 -0.156 -3.423 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.975 -0.663 -3.145 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.666 -0.382 -3.712 1.00 0.00 C ATOM 1055 C LEU A 36 -8.033 -1.637 -4.297 1.00 0.00 C ATOM 1056 O LEU A 36 -8.372 -2.754 -3.913 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.754 0.218 -2.641 1.00 0.00 C ATOM 1058 CG LEU A 36 -8.300 0.139 -1.213 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -7.323 -0.591 -0.309 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -8.590 1.532 -0.674 1.00 0.00 C ATOM 0 H LEU A 36 -9.988 -1.428 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.794 0.336 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.792 -0.293 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.568 1.264 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.234 -0.422 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.728 -0.638 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.166 -1.602 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.372 -0.058 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.977 1.456 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.671 2.119 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.329 2.021 -1.308 1.00 0.00 H new ATOM 1072 N TYR A 37 -7.120 -1.438 -5.233 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.407 -2.532 -5.868 1.00 0.00 C ATOM 1074 C TYR A 37 -5.000 -2.646 -5.314 1.00 0.00 C ATOM 1075 O TYR A 37 -4.412 -1.654 -4.890 1.00 0.00 O ATOM 1076 CB TYR A 37 -6.337 -2.318 -7.377 1.00 0.00 C ATOM 1077 CG TYR A 37 -7.284 -3.192 -8.153 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -7.205 -4.575 -8.073 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -8.262 -2.635 -8.958 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -8.074 -5.380 -8.779 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -9.135 -3.429 -9.669 1.00 0.00 C ATOM 1082 CZ TYR A 37 -9.041 -4.801 -9.577 1.00 0.00 C ATOM 1083 OH TYR A 37 -9.916 -5.594 -10.284 1.00 0.00 O ATOM 0 H TYR A 37 -6.853 -0.514 -5.573 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.950 -3.453 -5.658 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.556 -1.273 -7.598 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.319 -2.509 -7.716 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.450 -5.029 -7.447 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.342 -1.560 -9.030 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.999 -6.455 -8.708 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.890 -2.978 -10.296 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.532 -5.027 -10.793 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.477 -3.856 -5.308 1.00 0.00 N ATOM 1094 CA ALA A 38 -3.103 -4.089 -4.901 1.00 0.00 C ATOM 1095 C ALA A 38 -2.398 -4.985 -5.911 1.00 0.00 C ATOM 1096 O ALA A 38 -1.651 -4.507 -6.764 1.00 0.00 O ATOM 1097 CB ALA A 38 -3.055 -4.700 -3.510 1.00 0.00 C ATOM 0 H ALA A 38 -4.984 -4.698 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.582 -3.132 -4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.017 -4.868 -3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.524 -4.021 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.589 -5.650 -3.511 1.00 0.00 H new ATOM 1103 N MET A 39 -2.643 -6.282 -5.817 1.00 0.00 N ATOM 1104 CA MET A 39 -2.067 -7.231 -6.756 1.00 0.00 C ATOM 1105 C MET A 39 -3.081 -7.585 -7.843 1.00 0.00 C ATOM 1106 O MET A 39 -2.903 -7.230 -9.007 1.00 0.00 O ATOM 1107 CB MET A 39 -1.607 -8.496 -6.027 1.00 0.00 C ATOM 1108 CG MET A 39 -0.820 -8.227 -4.752 1.00 0.00 C ATOM 1109 SD MET A 39 -1.875 -8.109 -3.294 1.00 0.00 S ATOM 1110 CE MET A 39 -0.741 -8.641 -2.013 1.00 0.00 C ATOM 0 H MET A 39 -3.236 -6.701 -5.101 1.00 0.00 H new ATOM 0 HA MET A 39 -1.199 -6.768 -7.225 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.481 -9.099 -5.781 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.991 -9.089 -6.703 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.092 -9.024 -4.605 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.259 -7.299 -4.865 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.247 -8.622 -1.048 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.402 -9.655 -2.225 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.118 -7.970 -1.985 1.00 0.00 H new ATOM 1120 N ASP A 40 -4.151 -8.272 -7.454 1.00 0.00 N ATOM 1121 CA ASP A 40 -5.180 -8.685 -8.404 1.00 0.00 C ATOM 1122 C ASP A 40 -6.549 -8.750 -7.729 1.00 0.00 C ATOM 1123 O ASP A 40 -7.557 -9.051 -8.368 1.00 0.00 O ATOM 1124 CB ASP A 40 -4.819 -10.046 -9.021 1.00 0.00 C ATOM 1125 CG ASP A 40 -5.236 -11.228 -8.160 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -4.898 -11.248 -6.958 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -5.891 -12.152 -8.689 1.00 0.00 O ATOM 0 H ASP A 40 -4.328 -8.554 -6.490 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.230 -7.942 -9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.295 -10.132 -9.998 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.742 -10.088 -9.186 1.00 0.00 H new ATOM 1132 N SER A 41 -6.584 -8.457 -6.440 1.00 0.00 N ATOM 1133 CA SER A 41 -7.820 -8.504 -5.680 1.00 0.00 C ATOM 1134 C SER A 41 -8.299 -7.096 -5.349 1.00 0.00 C ATOM 1135 O SER A 41 -7.545 -6.133 -5.491 1.00 0.00 O ATOM 1136 CB SER A 41 -7.591 -9.296 -4.397 1.00 0.00 C ATOM 1137 OG SER A 41 -6.250 -9.757 -4.326 1.00 0.00 O ATOM 0 H SER A 41 -5.766 -8.183 -5.896 1.00 0.00 H new ATOM 0 HA SER A 41 -8.589 -8.993 -6.278 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.812 -8.670 -3.533 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.275 -10.144 -4.360 1.00 0.00 H new ATOM 0 HG SER A 41 -5.812 -9.369 -3.540 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.542 -6.980 -4.904 1.00 0.00 N ATOM 1144 CA TYR A 42 -10.090 -5.695 -4.494 1.00 0.00 C ATOM 1145 C TYR A 42 -10.159 -5.639 -2.973 1.00 0.00 C ATOM 1146 O TYR A 42 -10.744 -6.518 -2.339 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.478 -5.448 -5.101 1.00 0.00 C ATOM 1148 CG TYR A 42 -12.301 -6.697 -5.320 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -12.146 -7.460 -6.469 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -13.235 -7.109 -4.379 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -12.898 -8.602 -6.675 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -13.990 -8.248 -4.575 1.00 0.00 C ATOM 1153 CZ TYR A 42 -13.817 -8.991 -5.723 1.00 0.00 C ATOM 1154 OH TYR A 42 -14.567 -10.127 -5.922 1.00 0.00 O ATOM 0 H TYR A 42 -10.191 -7.762 -4.818 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.432 -4.908 -4.863 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -12.031 -4.774 -4.447 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.357 -4.937 -6.056 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.426 -7.157 -7.215 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -13.373 -6.529 -3.479 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -12.767 -9.185 -7.575 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -14.712 -8.555 -3.833 1.00 0.00 H new ATOM 0 HH TYR A 42 -15.166 -10.262 -5.158 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.547 -4.620 -2.396 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.420 -4.529 -0.950 1.00 0.00 C ATOM 1166 C TRP A 43 -10.091 -3.273 -0.411 1.00 0.00 C ATOM 1167 O TRP A 43 -10.564 -2.426 -1.165 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.945 -4.506 -0.534 1.00 0.00 C ATOM 1169 CG TRP A 43 -7.066 -5.458 -1.296 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.678 -5.349 -2.600 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -6.445 -6.646 -0.793 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.877 -6.409 -2.945 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.714 -7.217 -1.853 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -6.442 -7.289 0.448 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.986 -8.395 -1.709 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.717 -8.458 0.589 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -5.000 -9.001 -0.486 1.00 0.00 C ATOM 0 H TRP A 43 -9.129 -3.842 -2.907 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.911 -5.408 -0.533 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.560 -3.494 -0.663 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.877 -4.740 0.528 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.960 -4.545 -3.264 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.469 -6.568 -3.866 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.995 -6.881 1.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.430 -8.814 -2.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.703 -8.962 1.544 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.447 -9.918 -0.344 1.00 0.00 H new ATOM 1188 N HIS A 44 -10.112 -3.173 0.907 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.574 -1.977 1.604 1.00 0.00 C ATOM 1190 C HIS A 44 -9.498 -1.554 2.599 1.00 0.00 C ATOM 1191 O HIS A 44 -8.456 -2.208 2.690 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.922 -2.218 2.324 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.993 -3.501 3.106 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.412 -3.603 4.427 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.659 -4.752 2.729 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.306 -4.900 4.786 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.856 -5.607 3.787 1.00 0.00 N ATOM 0 H HIS A 44 -9.808 -3.921 1.530 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.745 -1.184 0.876 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.112 -1.385 3.000 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.721 -2.215 1.582 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -12.740 -2.838 5.017 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.295 -5.036 1.753 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.557 -5.295 5.759 1.00 0.00 H new ATOM 1205 N SER A 45 -9.747 -0.489 3.346 1.00 0.00 N ATOM 1206 CA SER A 45 -8.747 0.056 4.263 1.00 0.00 C ATOM 1207 C SER A 45 -8.363 -0.944 5.361 1.00 0.00 C ATOM 1208 O SER A 45 -7.271 -0.863 5.926 1.00 0.00 O ATOM 1209 CB SER A 45 -9.268 1.354 4.886 1.00 0.00 C ATOM 1210 OG SER A 45 -10.050 2.083 3.952 1.00 0.00 O ATOM 0 H SER A 45 -10.632 0.018 3.338 1.00 0.00 H new ATOM 0 HA SER A 45 -7.846 0.262 3.686 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.866 1.125 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.429 1.965 5.220 1.00 0.00 H new ATOM 0 HG SER A 45 -10.998 1.877 4.088 1.00 0.00 H new ATOM 1216 N ARG A 46 -9.250 -1.886 5.659 1.00 0.00 N ATOM 1217 CA ARG A 46 -8.988 -2.864 6.707 1.00 0.00 C ATOM 1218 C ARG A 46 -8.329 -4.130 6.159 1.00 0.00 C ATOM 1219 O ARG A 46 -7.857 -4.969 6.928 1.00 0.00 O ATOM 1220 CB ARG A 46 -10.286 -3.233 7.423 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.398 -2.642 8.817 1.00 0.00 C ATOM 1222 CD ARG A 46 -9.322 -3.184 9.743 1.00 0.00 C ATOM 1223 NE ARG A 46 -8.768 -2.139 10.602 1.00 0.00 N ATOM 1224 CZ ARG A 46 -7.492 -1.758 10.600 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -6.613 -2.349 9.800 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -7.097 -0.784 11.407 1.00 0.00 N ATOM 0 H ARG A 46 -10.151 -1.993 5.193 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.296 -2.403 7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.131 -2.894 6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.359 -4.318 7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.317 -1.557 8.760 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.381 -2.867 9.230 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.741 -3.978 10.361 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.523 -3.629 9.150 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.403 -1.669 11.248 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.913 -3.101 9.180 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.638 -2.051 9.805 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.769 -0.330 12.026 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.121 -0.488 11.410 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.301 -4.273 4.837 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.723 -5.456 4.214 1.00 0.00 C ATOM 1242 C CYS A 47 -6.314 -5.175 3.701 1.00 0.00 C ATOM 1243 O CYS A 47 -5.368 -5.885 4.041 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.611 -5.948 3.069 1.00 0.00 C ATOM 1245 SG CYS A 47 -9.239 -7.649 3.292 1.00 0.00 S ATOM 0 H CYS A 47 -8.671 -3.586 4.180 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.661 -6.236 4.973 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.458 -5.270 2.963 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.046 -5.900 2.138 1.00 0.00 H new ATOM 0 HG CYS A 47 -10.490 -7.699 2.943 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.177 -4.136 2.888 1.00 0.00 N ATOM 1251 CA LEU A 48 -4.893 -3.793 2.306 1.00 0.00 C ATOM 1252 C LEU A 48 -4.018 -3.065 3.320 1.00 0.00 C ATOM 1253 O LEU A 48 -3.970 -1.831 3.353 1.00 0.00 O ATOM 1254 CB LEU A 48 -5.095 -2.926 1.064 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.290 -3.333 -0.175 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -3.413 -2.182 -0.620 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.444 -4.572 0.089 1.00 0.00 C ATOM 0 H LEU A 48 -6.942 -3.518 2.618 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.388 -4.715 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.154 -2.937 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.840 -1.897 1.317 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.994 -3.579 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.844 -2.478 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.037 -1.322 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.726 -1.916 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.887 -4.831 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.746 -4.370 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.093 -5.403 0.366 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.340 -3.837 4.150 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.460 -3.284 5.164 1.00 0.00 C ATOM 1271 C LYS A 49 -1.161 -4.071 5.238 1.00 0.00 C ATOM 1272 O LYS A 49 -1.039 -5.147 4.652 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.141 -3.292 6.542 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.126 -4.435 6.743 1.00 0.00 C ATOM 1275 CD LYS A 49 -3.409 -5.764 6.926 1.00 0.00 C ATOM 1276 CE LYS A 49 -4.379 -6.884 7.256 1.00 0.00 C ATOM 1277 NZ LYS A 49 -3.724 -7.972 8.028 1.00 0.00 N ATOM 0 H LYS A 49 -3.383 -4.856 4.141 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.238 -2.255 4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.374 -3.348 7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.665 -2.346 6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.747 -4.232 7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.794 -4.496 5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.863 -6.012 6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.672 -5.673 7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.215 -6.484 7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.792 -7.291 6.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.433 -8.685 8.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.987 -8.416 7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.293 -7.577 8.888 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.196 -3.515 5.954 1.00 0.00 N ATOM 1292 CA CYS A 50 1.041 -4.205 6.252 1.00 0.00 C ATOM 1293 C CYS A 50 0.749 -5.400 7.150 1.00 0.00 C ATOM 1294 O CYS A 50 0.030 -5.279 8.138 1.00 0.00 O ATOM 1295 CB CYS A 50 2.003 -3.242 6.950 1.00 0.00 C ATOM 1296 SG CYS A 50 3.712 -3.841 7.145 1.00 0.00 S ATOM 0 H CYS A 50 -0.252 -2.574 6.343 1.00 0.00 H new ATOM 0 HA CYS A 50 1.500 -4.559 5.329 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.026 -2.309 6.388 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.604 -3.010 7.937 1.00 0.00 H new ATOM 0 HG CYS A 50 4.524 -2.827 7.200 1.00 0.00 H new ATOM 1301 N SER A 51 1.296 -6.545 6.805 1.00 0.00 N ATOM 1302 CA SER A 51 1.092 -7.746 7.595 1.00 0.00 C ATOM 1303 C SER A 51 2.005 -7.742 8.819 1.00 0.00 C ATOM 1304 O SER A 51 1.902 -8.606 9.691 1.00 0.00 O ATOM 1305 CB SER A 51 1.337 -8.989 6.734 1.00 0.00 C ATOM 1306 OG SER A 51 0.809 -8.807 5.427 1.00 0.00 O ATOM 0 H SER A 51 1.886 -6.673 5.983 1.00 0.00 H new ATOM 0 HA SER A 51 0.060 -7.767 7.945 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.406 -9.191 6.675 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.874 -9.858 7.201 1.00 0.00 H new ATOM 0 HG SER A 51 1.367 -8.169 4.935 1.00 0.00 H new ATOM 1312 N SER A 52 2.892 -6.756 8.890 1.00 0.00 N ATOM 1313 CA SER A 52 3.841 -6.672 9.986 1.00 0.00 C ATOM 1314 C SER A 52 3.446 -5.597 11.006 1.00 0.00 C ATOM 1315 O SER A 52 3.364 -5.879 12.203 1.00 0.00 O ATOM 1316 CB SER A 52 5.242 -6.405 9.439 1.00 0.00 C ATOM 1317 OG SER A 52 5.716 -7.506 8.684 1.00 0.00 O ATOM 0 H SER A 52 2.971 -6.007 8.202 1.00 0.00 H new ATOM 0 HA SER A 52 3.834 -7.628 10.509 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.227 -5.512 8.814 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.925 -6.205 10.264 1.00 0.00 H new ATOM 0 HG SER A 52 6.442 -7.948 9.171 1.00 0.00 H new ATOM 1323 N CYS A 53 3.186 -4.374 10.542 1.00 0.00 N ATOM 1324 CA CYS A 53 2.833 -3.293 11.463 1.00 0.00 C ATOM 1325 C CYS A 53 1.385 -2.857 11.284 1.00 0.00 C ATOM 1326 O CYS A 53 0.911 -1.964 11.985 1.00 0.00 O ATOM 1327 CB CYS A 53 3.781 -2.096 11.308 1.00 0.00 C ATOM 1328 SG CYS A 53 3.567 -1.130 9.777 1.00 0.00 S ATOM 0 H CYS A 53 3.212 -4.110 9.557 1.00 0.00 H new ATOM 0 HA CYS A 53 2.943 -3.684 12.475 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.643 -1.431 12.161 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.808 -2.459 11.349 1.00 0.00 H new ATOM 0 HG CYS A 53 3.574 -1.932 8.754 1.00 0.00 H new ATOM 1333 N GLN A 54 0.695 -3.496 10.341 1.00 0.00 N ATOM 1334 CA GLN A 54 -0.716 -3.227 10.077 1.00 0.00 C ATOM 1335 C GLN A 54 -0.920 -1.817 9.529 1.00 0.00 C ATOM 1336 O GLN A 54 -1.961 -1.206 9.750 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.562 -3.438 11.337 1.00 0.00 C ATOM 1338 CG GLN A 54 -1.815 -4.902 11.657 1.00 0.00 C ATOM 1339 CD GLN A 54 -2.938 -5.495 10.832 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -2.757 -6.501 10.150 1.00 0.00 O ATOM 1341 NE2 GLN A 54 -4.107 -4.874 10.886 1.00 0.00 N ATOM 0 H GLN A 54 1.098 -4.214 9.739 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.046 -3.936 9.318 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.061 -2.970 12.184 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.519 -2.931 11.212 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.902 -5.471 11.482 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.055 -5.002 12.715 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.216 -4.041 11.465 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.898 -5.229 10.349 1.00 0.00 H new ATOM 1350 N ALA A 55 0.076 -1.307 8.817 1.00 0.00 N ATOM 1351 CA ALA A 55 -0.043 -0.009 8.170 1.00 0.00 C ATOM 1352 C ALA A 55 -1.064 -0.077 7.042 1.00 0.00 C ATOM 1353 O ALA A 55 -0.945 -0.909 6.148 1.00 0.00 O ATOM 1354 CB ALA A 55 1.306 0.445 7.636 1.00 0.00 C ATOM 0 H ALA A 55 0.973 -1.771 8.674 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.383 0.718 8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.199 1.417 7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.016 0.524 8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.673 -0.280 6.910 1.00 0.00 H new ATOM 1360 N GLN A 56 -2.075 0.780 7.099 1.00 0.00 N ATOM 1361 CA GLN A 56 -3.128 0.802 6.091 1.00 0.00 C ATOM 1362 C GLN A 56 -2.602 1.334 4.759 1.00 0.00 C ATOM 1363 O GLN A 56 -2.888 2.466 4.376 1.00 0.00 O ATOM 1364 CB GLN A 56 -4.289 1.661 6.582 1.00 0.00 C ATOM 1365 CG GLN A 56 -5.140 0.969 7.631 1.00 0.00 C ATOM 1366 CD GLN A 56 -5.372 1.821 8.864 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -4.475 1.998 9.689 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -6.580 2.341 9.006 1.00 0.00 N ATOM 0 H GLN A 56 -2.189 1.474 7.838 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.476 -0.218 5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.896 2.590 6.996 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.917 1.931 5.733 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.102 0.704 7.193 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.657 0.037 7.926 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.295 2.170 8.299 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.796 2.913 9.822 1.00 0.00 H new ATOM 1377 N LEU A 57 -1.854 0.494 4.054 1.00 0.00 N ATOM 1378 CA LEU A 57 -1.206 0.876 2.806 1.00 0.00 C ATOM 1379 C LEU A 57 -2.220 1.204 1.716 1.00 0.00 C ATOM 1380 O LEU A 57 -1.895 1.888 0.750 1.00 0.00 O ATOM 1381 CB LEU A 57 -0.289 -0.250 2.327 1.00 0.00 C ATOM 1382 CG LEU A 57 0.818 -0.650 3.302 1.00 0.00 C ATOM 1383 CD1 LEU A 57 1.233 -2.095 3.072 1.00 0.00 C ATOM 1384 CD2 LEU A 57 2.012 0.281 3.153 1.00 0.00 C ATOM 0 H LEU A 57 -1.680 -0.472 4.332 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.621 1.774 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.899 -1.128 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.170 0.053 1.386 1.00 0.00 H new ATOM 0 HG LEU A 57 0.436 -0.562 4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.022 -2.363 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.374 -2.749 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.601 -2.210 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.793 -0.015 3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.395 0.221 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.704 1.305 3.365 1.00 0.00 H new ATOM 1396 N GLY A 58 -3.439 0.706 1.870 1.00 0.00 N ATOM 1397 CA GLY A 58 -4.479 0.993 0.904 1.00 0.00 C ATOM 1398 C GLY A 58 -5.115 2.351 1.127 1.00 0.00 C ATOM 1399 O GLY A 58 -5.758 2.899 0.232 1.00 0.00 O ATOM 0 H GLY A 58 -3.726 0.109 2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.059 0.952 -0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.247 0.221 0.960 1.00 0.00 H new ATOM 1403 N ASP A 59 -4.940 2.896 2.324 1.00 0.00 N ATOM 1404 CA ASP A 59 -5.529 4.187 2.666 1.00 0.00 C ATOM 1405 C ASP A 59 -4.491 5.287 2.580 1.00 0.00 C ATOM 1406 O ASP A 59 -4.718 6.424 2.995 1.00 0.00 O ATOM 1407 CB ASP A 59 -6.165 4.150 4.058 1.00 0.00 C ATOM 1408 CG ASP A 59 -7.239 5.206 4.218 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -7.940 5.502 3.225 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -7.377 5.753 5.329 1.00 0.00 O ATOM 0 H ASP A 59 -4.397 2.467 3.073 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.316 4.400 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.596 3.164 4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.394 4.300 4.813 1.00 0.00 H new ATOM 1415 N ILE A 60 -3.355 4.933 2.028 1.00 0.00 N ATOM 1416 CA ILE A 60 -2.282 5.874 1.797 1.00 0.00 C ATOM 1417 C ILE A 60 -1.733 5.646 0.401 1.00 0.00 C ATOM 1418 O ILE A 60 -1.812 4.538 -0.125 1.00 0.00 O ATOM 1419 CB ILE A 60 -1.132 5.727 2.828 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -1.674 5.423 4.229 1.00 0.00 C ATOM 1421 CG2 ILE A 60 -0.281 6.990 2.860 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -0.666 4.746 5.134 1.00 0.00 C ATOM 0 H ILE A 60 -3.147 3.982 1.725 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.687 6.880 1.905 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.511 4.887 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.000 6.354 4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.554 4.787 4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.521 6.870 3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.148 7.165 1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.902 7.840 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.118 4.561 6.108 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.358 3.799 4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.205 5.390 5.255 1.00 0.00 H new ATOM 1434 N GLY A 61 -1.215 6.690 -0.213 1.00 0.00 N ATOM 1435 CA GLY A 61 -0.539 6.541 -1.490 1.00 0.00 C ATOM 1436 C GLY A 61 0.828 5.900 -1.337 1.00 0.00 C ATOM 1437 O GLY A 61 1.826 6.393 -1.869 1.00 0.00 O ATOM 0 H GLY A 61 -1.247 7.644 0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.152 5.934 -2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.431 7.519 -1.959 1.00 0.00 H new ATOM 1441 N THR A 62 0.866 4.793 -0.616 1.00 0.00 N ATOM 1442 CA THR A 62 2.106 4.116 -0.295 1.00 0.00 C ATOM 1443 C THR A 62 2.421 3.022 -1.305 1.00 0.00 C ATOM 1444 O THR A 62 1.555 2.225 -1.662 1.00 0.00 O ATOM 1445 CB THR A 62 2.032 3.485 1.106 1.00 0.00 C ATOM 1446 OG1 THR A 62 0.659 3.363 1.511 1.00 0.00 O ATOM 1447 CG2 THR A 62 2.792 4.328 2.119 1.00 0.00 C ATOM 0 H THR A 62 0.035 4.339 -0.237 1.00 0.00 H new ATOM 0 HA THR A 62 2.896 4.866 -0.324 1.00 0.00 H new ATOM 0 HB THR A 62 2.490 2.497 1.064 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.196 2.740 0.913 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.726 3.863 3.102 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.838 4.400 1.821 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.357 5.327 2.160 1.00 0.00 H new ATOM 1455 N SER A 63 3.658 3.002 -1.772 1.00 0.00 N ATOM 1456 CA SER A 63 4.130 1.934 -2.634 1.00 0.00 C ATOM 1457 C SER A 63 4.420 0.682 -1.806 1.00 0.00 C ATOM 1458 O SER A 63 5.549 0.465 -1.361 1.00 0.00 O ATOM 1459 CB SER A 63 5.385 2.398 -3.375 1.00 0.00 C ATOM 1460 OG SER A 63 5.636 3.774 -3.117 1.00 0.00 O ATOM 0 H SER A 63 4.356 3.717 -1.567 1.00 0.00 H new ATOM 0 HA SER A 63 3.361 1.687 -3.365 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.241 1.801 -3.061 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.261 2.239 -4.446 1.00 0.00 H new ATOM 0 HG SER A 63 6.443 4.055 -3.597 1.00 0.00 H new ATOM 1466 N SER A 64 3.388 -0.116 -1.575 1.00 0.00 N ATOM 1467 CA SER A 64 3.515 -1.338 -0.798 1.00 0.00 C ATOM 1468 C SER A 64 4.303 -2.392 -1.568 1.00 0.00 C ATOM 1469 O SER A 64 4.160 -2.526 -2.787 1.00 0.00 O ATOM 1470 CB SER A 64 2.125 -1.864 -0.446 1.00 0.00 C ATOM 1471 OG SER A 64 1.126 -0.944 -0.854 1.00 0.00 O ATOM 0 H SER A 64 2.445 0.064 -1.919 1.00 0.00 H new ATOM 0 HA SER A 64 4.060 -1.117 0.120 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.961 -2.826 -0.931 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.055 -2.032 0.629 1.00 0.00 H new ATOM 0 HG SER A 64 0.242 -1.297 -0.622 1.00 0.00 H new ATOM 1477 N TYR A 65 5.130 -3.134 -0.849 1.00 0.00 N ATOM 1478 CA TYR A 65 6.003 -4.119 -1.465 1.00 0.00 C ATOM 1479 C TYR A 65 5.612 -5.525 -1.038 1.00 0.00 C ATOM 1480 O TYR A 65 4.924 -5.707 -0.032 1.00 0.00 O ATOM 1481 CB TYR A 65 7.460 -3.838 -1.088 1.00 0.00 C ATOM 1482 CG TYR A 65 7.973 -2.524 -1.633 1.00 0.00 C ATOM 1483 CD1 TYR A 65 8.230 -2.372 -2.988 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.187 -1.435 -0.797 1.00 0.00 C ATOM 1485 CE1 TYR A 65 8.681 -1.176 -3.498 1.00 0.00 C ATOM 1486 CE2 TYR A 65 8.643 -0.232 -1.302 1.00 0.00 C ATOM 1487 CZ TYR A 65 8.887 -0.110 -2.656 1.00 0.00 C ATOM 1488 OH TYR A 65 9.333 1.084 -3.172 1.00 0.00 O ATOM 0 H TYR A 65 5.215 -3.072 0.166 1.00 0.00 H new ATOM 0 HA TYR A 65 5.896 -4.047 -2.547 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.554 -3.835 -0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.088 -4.648 -1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.073 -3.207 -3.654 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.994 -1.530 0.261 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.872 -1.076 -4.556 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.807 0.607 -0.642 1.00 0.00 H new ATOM 0 HH TYR A 65 9.886 0.912 -3.963 1.00 0.00 H new ATOM 1498 N THR A 66 6.035 -6.513 -1.809 1.00 0.00 N ATOM 1499 CA THR A 66 5.748 -7.895 -1.483 1.00 0.00 C ATOM 1500 C THR A 66 6.819 -8.825 -2.032 1.00 0.00 C ATOM 1501 O THR A 66 7.531 -8.487 -2.982 1.00 0.00 O ATOM 1502 CB THR A 66 4.361 -8.325 -2.001 1.00 0.00 C ATOM 1503 OG1 THR A 66 3.893 -9.459 -1.260 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.390 -8.660 -3.488 1.00 0.00 C ATOM 0 H THR A 66 6.577 -6.382 -2.663 1.00 0.00 H new ATOM 0 HA THR A 66 5.745 -7.970 -0.396 1.00 0.00 H new ATOM 0 HB THR A 66 3.681 -7.485 -1.861 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.937 -9.264 -0.301 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.393 -8.958 -3.813 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.709 -7.784 -4.052 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.089 -9.478 -3.663 1.00 0.00 H new ATOM 1512 N LYS A 67 6.921 -9.993 -1.418 1.00 0.00 N ATOM 1513 CA LYS A 67 7.897 -10.990 -1.813 1.00 0.00 C ATOM 1514 C LYS A 67 7.390 -12.379 -1.448 1.00 0.00 C ATOM 1515 O LYS A 67 6.982 -13.148 -2.314 1.00 0.00 O ATOM 1516 CB LYS A 67 9.230 -10.711 -1.123 1.00 0.00 C ATOM 1517 CG LYS A 67 10.440 -11.165 -1.922 1.00 0.00 C ATOM 1518 CD LYS A 67 11.118 -12.363 -1.278 1.00 0.00 C ATOM 1519 CE LYS A 67 12.618 -12.150 -1.158 1.00 0.00 C ATOM 1520 NZ LYS A 67 13.379 -13.420 -1.302 1.00 0.00 N ATOM 0 H LYS A 67 6.331 -10.274 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 67 8.046 -10.943 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.313 -9.641 -0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.238 -11.209 -0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.132 -11.422 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.152 -10.344 -2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.693 -12.536 -0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.922 -13.257 -1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.945 -11.444 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.843 -11.701 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.397 -13.227 -1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.087 -14.086 -0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.186 -13.837 -2.235 1.00 0.00 H new ATOM 1534 N SER A 68 7.384 -12.675 -0.152 1.00 0.00 N ATOM 1535 CA SER A 68 6.914 -13.962 0.351 1.00 0.00 C ATOM 1536 C SER A 68 5.381 -14.036 0.369 1.00 0.00 C ATOM 1537 O SER A 68 4.793 -14.865 1.062 1.00 0.00 O ATOM 1538 CB SER A 68 7.481 -14.190 1.753 1.00 0.00 C ATOM 1539 OG SER A 68 8.248 -13.073 2.178 1.00 0.00 O ATOM 0 H SER A 68 7.702 -12.035 0.575 1.00 0.00 H new ATOM 0 HA SER A 68 7.265 -14.747 -0.319 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.666 -14.365 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.102 -15.085 1.757 1.00 0.00 H new ATOM 0 HG SER A 68 8.721 -13.297 3.007 1.00 0.00 H new ATOM 1545 N GLY A 69 4.739 -13.161 -0.395 1.00 0.00 N ATOM 1546 CA GLY A 69 3.293 -13.175 -0.502 1.00 0.00 C ATOM 1547 C GLY A 69 2.610 -12.314 0.538 1.00 0.00 C ATOM 1548 O GLY A 69 1.382 -12.256 0.595 1.00 0.00 O ATOM 0 H GLY A 69 5.199 -12.436 -0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.005 -12.831 -1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.938 -14.201 -0.405 1.00 0.00 H new ATOM 1552 N MET A 70 3.395 -11.641 1.364 1.00 0.00 N ATOM 1553 CA MET A 70 2.842 -10.785 2.403 1.00 0.00 C ATOM 1554 C MET A 70 2.925 -9.326 1.984 1.00 0.00 C ATOM 1555 O MET A 70 3.920 -8.901 1.395 1.00 0.00 O ATOM 1556 CB MET A 70 3.583 -10.988 3.728 1.00 0.00 C ATOM 1557 CG MET A 70 3.698 -12.445 4.152 1.00 0.00 C ATOM 1558 SD MET A 70 4.150 -12.627 5.889 1.00 0.00 S ATOM 1559 CE MET A 70 5.865 -12.113 5.852 1.00 0.00 C ATOM 0 H MET A 70 4.414 -11.670 1.336 1.00 0.00 H new ATOM 0 HA MET A 70 1.796 -11.057 2.545 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.584 -10.564 3.642 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.067 -10.431 4.511 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.748 -12.948 3.973 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.444 -12.942 3.532 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.284 -12.172 6.856 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.427 -12.768 5.186 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.929 -11.086 5.491 1.00 0.00 H new ATOM 1569 N ILE A 71 1.876 -8.571 2.266 1.00 0.00 N ATOM 1570 CA ILE A 71 1.876 -7.139 1.999 1.00 0.00 C ATOM 1571 C ILE A 71 2.606 -6.423 3.120 1.00 0.00 C ATOM 1572 O ILE A 71 2.256 -6.583 4.290 1.00 0.00 O ATOM 1573 CB ILE A 71 0.449 -6.554 1.886 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.582 -7.661 1.659 1.00 0.00 C ATOM 1575 CG2 ILE A 71 0.382 -5.526 0.767 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.333 -8.046 2.913 1.00 0.00 C ATOM 0 H ILE A 71 1.013 -8.924 2.680 1.00 0.00 H new ATOM 0 HA ILE A 71 2.374 -6.989 1.041 1.00 0.00 H new ATOM 0 HB ILE A 71 0.211 -6.059 2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.296 -7.334 0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.078 -8.542 1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.629 -5.125 0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.081 -4.716 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.646 -6.000 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.048 -8.836 2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.628 -8.404 3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.865 -7.177 3.300 1.00 0.00 H new ATOM 1588 N LEU A 72 3.628 -5.659 2.774 1.00 0.00 N ATOM 1589 CA LEU A 72 4.445 -4.990 3.770 1.00 0.00 C ATOM 1590 C LEU A 72 4.693 -3.541 3.372 1.00 0.00 C ATOM 1591 O LEU A 72 4.742 -3.217 2.178 1.00 0.00 O ATOM 1592 CB LEU A 72 5.780 -5.726 3.929 1.00 0.00 C ATOM 1593 CG LEU A 72 5.838 -6.735 5.078 1.00 0.00 C ATOM 1594 CD1 LEU A 72 5.192 -8.052 4.685 1.00 0.00 C ATOM 1595 CD2 LEU A 72 7.276 -6.967 5.497 1.00 0.00 C ATOM 0 H LEU A 72 3.911 -5.487 1.809 1.00 0.00 H new ATOM 0 HA LEU A 72 3.914 -5.002 4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.002 -6.248 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.568 -4.987 4.076 1.00 0.00 H new ATOM 0 HG LEU A 72 5.281 -6.321 5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.248 -8.749 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.147 -7.881 4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.716 -8.472 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.305 -7.687 6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.843 -7.356 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.715 -6.025 5.826 1.00 0.00 H new ATOM 1607 N CYS A 73 4.833 -2.670 4.365 1.00 0.00 N ATOM 1608 CA CYS A 73 5.146 -1.278 4.104 1.00 0.00 C ATOM 1609 C CYS A 73 6.598 -1.131 3.657 1.00 0.00 C ATOM 1610 O CYS A 73 7.393 -2.072 3.757 1.00 0.00 O ATOM 1611 CB CYS A 73 4.862 -0.407 5.341 1.00 0.00 C ATOM 1612 SG CYS A 73 5.947 -0.715 6.772 1.00 0.00 S ATOM 0 H CYS A 73 4.734 -2.906 5.352 1.00 0.00 H new ATOM 0 HA CYS A 73 4.502 -0.930 3.296 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.952 0.641 5.056 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.828 -0.566 5.648 1.00 0.00 H new ATOM 0 HG CYS A 73 5.223 -0.867 7.841 1.00 0.00 H new ATOM 1617 N ARG A 74 6.933 0.055 3.171 1.00 0.00 N ATOM 1618 CA ARG A 74 8.270 0.330 2.659 1.00 0.00 C ATOM 1619 C ARG A 74 9.315 0.160 3.756 1.00 0.00 C ATOM 1620 O ARG A 74 10.416 -0.328 3.510 1.00 0.00 O ATOM 1621 CB ARG A 74 8.339 1.748 2.087 1.00 0.00 C ATOM 1622 CG ARG A 74 7.048 2.203 1.422 1.00 0.00 C ATOM 1623 CD ARG A 74 7.254 3.465 0.600 1.00 0.00 C ATOM 1624 NE ARG A 74 7.903 3.183 -0.679 1.00 0.00 N ATOM 1625 CZ ARG A 74 8.658 4.058 -1.344 1.00 0.00 C ATOM 1626 NH1 ARG A 74 8.836 5.284 -0.867 1.00 0.00 N ATOM 1627 NH2 ARG A 74 9.233 3.701 -2.484 1.00 0.00 N ATOM 0 H ARG A 74 6.294 0.848 3.120 1.00 0.00 H new ATOM 0 HA ARG A 74 8.483 -0.384 1.864 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.588 2.442 2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.149 1.798 1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.670 1.408 0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.290 2.385 2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.291 3.943 0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.860 4.172 1.166 1.00 0.00 H new ATOM 0 HE ARG A 74 7.770 2.258 -1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.395 5.559 0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.414 5.951 -1.378 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.097 2.759 -2.850 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.811 4.369 -2.995 1.00 0.00 H new ATOM 1641 N ASN A 75 8.947 0.543 4.970 1.00 0.00 N ATOM 1642 CA ASN A 75 9.861 0.481 6.104 1.00 0.00 C ATOM 1643 C ASN A 75 10.047 -0.962 6.571 1.00 0.00 C ATOM 1644 O ASN A 75 11.161 -1.387 6.878 1.00 0.00 O ATOM 1645 CB ASN A 75 9.341 1.367 7.250 1.00 0.00 C ATOM 1646 CG ASN A 75 9.229 0.640 8.584 1.00 0.00 C ATOM 1647 OD1 ASN A 75 10.191 0.563 9.348 1.00 0.00 O ATOM 1648 ND2 ASN A 75 8.051 0.104 8.870 1.00 0.00 N ATOM 0 H ASN A 75 8.019 0.901 5.197 1.00 0.00 H new ATOM 0 HA ASN A 75 10.834 0.858 5.790 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.007 2.222 7.367 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.362 1.761 6.977 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.917 -0.394 9.750 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.278 0.190 8.210 1.00 0.00 H new ATOM 1655 N ASP A 76 8.951 -1.712 6.597 1.00 0.00 N ATOM 1656 CA ASP A 76 8.966 -3.072 7.120 1.00 0.00 C ATOM 1657 C ASP A 76 9.716 -4.008 6.192 1.00 0.00 C ATOM 1658 O ASP A 76 10.585 -4.762 6.628 1.00 0.00 O ATOM 1659 CB ASP A 76 7.543 -3.583 7.323 1.00 0.00 C ATOM 1660 CG ASP A 76 7.198 -3.738 8.786 1.00 0.00 C ATOM 1661 OD1 ASP A 76 7.876 -4.535 9.476 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.257 -3.064 9.253 1.00 0.00 O ATOM 0 H ASP A 76 8.040 -1.400 6.261 1.00 0.00 H new ATOM 0 HA ASP A 76 9.480 -3.050 8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.840 -2.893 6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.428 -4.543 6.820 1.00 0.00 H new ATOM 1667 N TYR A 77 9.388 -3.948 4.909 1.00 0.00 N ATOM 1668 CA TYR A 77 9.974 -4.857 3.940 1.00 0.00 C ATOM 1669 C TYR A 77 11.494 -4.734 3.903 1.00 0.00 C ATOM 1670 O TYR A 77 12.201 -5.741 3.940 1.00 0.00 O ATOM 1671 CB TYR A 77 9.403 -4.627 2.539 1.00 0.00 C ATOM 1672 CG TYR A 77 10.095 -5.474 1.497 1.00 0.00 C ATOM 1673 CD1 TYR A 77 10.211 -6.847 1.672 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.655 -4.906 0.361 1.00 0.00 C ATOM 1675 CE1 TYR A 77 10.869 -7.628 0.748 1.00 0.00 C ATOM 1676 CE2 TYR A 77 11.311 -5.684 -0.573 1.00 0.00 C ATOM 1677 CZ TYR A 77 11.417 -7.043 -0.374 1.00 0.00 C ATOM 1678 OH TYR A 77 12.091 -7.817 -1.287 1.00 0.00 O ATOM 0 H TYR A 77 8.722 -3.282 4.518 1.00 0.00 H new ATOM 0 HA TYR A 77 9.715 -5.866 4.261 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.337 -4.854 2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.504 -3.574 2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.778 -7.310 2.547 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.577 -3.840 0.205 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.955 -8.694 0.901 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.738 -5.229 -1.454 1.00 0.00 H new ATOM 0 HH TYR A 77 13.023 -7.921 -1.003 1.00 0.00 H new ATOM 1688 N ILE A 78 11.990 -3.506 3.837 1.00 0.00 N ATOM 1689 CA ILE A 78 13.427 -3.270 3.741 1.00 0.00 C ATOM 1690 C ILE A 78 14.145 -3.722 5.012 1.00 0.00 C ATOM 1691 O ILE A 78 15.218 -4.325 4.949 1.00 0.00 O ATOM 1692 CB ILE A 78 13.739 -1.781 3.460 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.203 -1.384 2.079 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.237 -1.513 3.549 1.00 0.00 C ATOM 1695 CD1 ILE A 78 13.252 0.108 1.812 1.00 0.00 C ATOM 0 H ILE A 78 11.422 -2.659 3.848 1.00 0.00 H new ATOM 0 HA ILE A 78 13.794 -3.862 2.902 1.00 0.00 H new ATOM 0 HB ILE A 78 13.243 -1.175 4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 78 13.781 -1.900 1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.173 -1.727 1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.431 -0.459 3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.593 -1.763 4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.760 -2.125 2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.857 0.313 0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.651 0.631 2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.284 0.455 1.871 1.00 0.00 H new ATOM 1707 N ARG A 79 13.536 -3.451 6.162 1.00 0.00 N ATOM 1708 CA ARG A 79 14.129 -3.810 7.444 1.00 0.00 C ATOM 1709 C ARG A 79 14.120 -5.323 7.647 1.00 0.00 C ATOM 1710 O ARG A 79 15.107 -5.901 8.100 1.00 0.00 O ATOM 1711 CB ARG A 79 13.378 -3.123 8.587 1.00 0.00 C ATOM 1712 CG ARG A 79 14.099 -1.907 9.148 1.00 0.00 C ATOM 1713 CD ARG A 79 13.143 -0.983 9.883 1.00 0.00 C ATOM 1714 NE ARG A 79 13.262 -1.110 11.338 1.00 0.00 N ATOM 1715 CZ ARG A 79 12.257 -0.889 12.189 1.00 0.00 C ATOM 1716 NH1 ARG A 79 11.072 -0.492 11.739 1.00 0.00 N ATOM 1717 NH2 ARG A 79 12.451 -1.046 13.494 1.00 0.00 N ATOM 0 H ARG A 79 12.632 -2.984 6.232 1.00 0.00 H new ATOM 0 HA ARG A 79 15.165 -3.471 7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.393 -2.819 8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.219 -3.843 9.390 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.887 -2.231 9.827 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.581 -1.362 8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.341 0.049 9.592 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.120 -1.208 9.583 1.00 0.00 H new ATOM 0 HE ARG A 79 14.166 -1.383 11.724 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.926 -0.355 10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.308 -0.325 12.394 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.365 -1.334 13.843 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.686 -0.878 14.147 1.00 0.00 H new ATOM 1731 N LEU A 80 13.008 -5.960 7.299 1.00 0.00 N ATOM 1732 CA LEU A 80 12.857 -7.395 7.497 1.00 0.00 C ATOM 1733 C LEU A 80 13.624 -8.196 6.449 1.00 0.00 C ATOM 1734 O LEU A 80 14.547 -8.940 6.779 1.00 0.00 O ATOM 1735 CB LEU A 80 11.379 -7.784 7.456 1.00 0.00 C ATOM 1736 CG LEU A 80 10.595 -7.482 8.733 1.00 0.00 C ATOM 1737 CD1 LEU A 80 9.105 -7.665 8.496 1.00 0.00 C ATOM 1738 CD2 LEU A 80 11.067 -8.377 9.873 1.00 0.00 C ATOM 0 H LEU A 80 12.198 -5.505 6.878 1.00 0.00 H new ATOM 0 HA LEU A 80 13.272 -7.632 8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.905 -7.262 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 80 11.305 -8.851 7.246 1.00 0.00 H new ATOM 0 HG LEU A 80 10.776 -6.444 9.012 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.561 -7.446 9.415 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.776 -6.987 7.709 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.908 -8.694 8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.498 -8.149 10.774 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.914 -9.422 9.603 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.127 -8.202 10.058 1.00 0.00 H new ATOM 1750 N PHE A 81 13.243 -8.033 5.189 1.00 0.00 N ATOM 1751 CA PHE A 81 13.796 -8.849 4.116 1.00 0.00 C ATOM 1752 C PHE A 81 14.860 -8.079 3.343 1.00 0.00 C ATOM 1753 O PHE A 81 16.054 -8.359 3.458 1.00 0.00 O ATOM 1754 CB PHE A 81 12.695 -9.299 3.146 1.00 0.00 C ATOM 1755 CG PHE A 81 11.502 -9.948 3.797 1.00 0.00 C ATOM 1756 CD1 PHE A 81 10.490 -9.176 4.344 1.00 0.00 C ATOM 1757 CD2 PHE A 81 11.386 -11.328 3.845 1.00 0.00 C ATOM 1758 CE1 PHE A 81 9.387 -9.768 4.927 1.00 0.00 C ATOM 1759 CE2 PHE A 81 10.284 -11.925 4.429 1.00 0.00 C ATOM 1760 CZ PHE A 81 9.283 -11.143 4.969 1.00 0.00 C ATOM 0 H PHE A 81 12.555 -7.345 4.885 1.00 0.00 H new ATOM 0 HA PHE A 81 14.250 -9.728 4.574 1.00 0.00 H new ATOM 0 HB2 PHE A 81 12.354 -8.433 2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 81 13.126 -9.999 2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.565 -8.099 4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 81 12.165 -11.944 3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.606 -9.154 5.350 1.00 0.00 H new ATOM 0 HE2 PHE A 81 10.207 -13.002 4.463 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.420 -11.607 5.424 1.00 0.00 H new ATOM 1770 N GLY A 82 14.419 -7.094 2.575 1.00 0.00 N ATOM 1771 CA GLY A 82 15.321 -6.380 1.698 1.00 0.00 C ATOM 1772 C GLY A 82 15.566 -7.139 0.409 1.00 0.00 C ATOM 1773 O GLY A 82 16.705 -7.118 -0.097 1.00 0.00 O ATOM 1774 OXT GLY A 82 14.616 -7.780 -0.094 1.00 0.00 O ATOM 0 H GLY A 82 13.450 -6.776 2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.906 -5.399 1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.270 -6.214 2.208 1.00 0.00 H new