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 664 SER OG : rot 180:sc= 0.634 USER MOD Set 1.2: A 667 LYS NZ :NH3+ -172:sc= 0.708 (180deg=0) USER MOD Set 2.1: A 67 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.14) USER MOD Set 2.2: A 77 TYR OH : rot -99:sc= 1.26 USER MOD Set 3.1: A 50 CYS SG : rot 158:sc= 2.97 USER MOD Set 3.2: A 52 SER OG : rot 81:sc= 0.563 USER MOD Set 3.3: A 53 CYS SG : rot -48:sc= 0.157 USER MOD Set 3.4: A 73 CYS SG : rot 116:sc= -0.566! USER MOD Set 3.5: A 75 ASN :FLIP amide:sc= 1.18 F(o=3.1!,f=4.3) USER MOD Set 4.1: A 23 CYS SG : rot 82:sc= 1.2 USER MOD Set 4.2: A 26 CYS SG : rot 110:sc= 0.886 USER MOD Set 4.3: A 44 HIS : no HE2:sc= -3.51! C(o=-2.1!,f=-5.4!) USER MOD Set 4.4: A 47 CYS SG : rot 48:sc= -0.718! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 101:sc= 0.675 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 120:sc= 0.33 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 68:sc= 0.684 USER MOD Single : A 49 LYS NZ :NH3+ -112:sc= 0.101 (180deg=0.00525) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 54 GLN :FLIP amide:sc= -0.199 F(o=-1.3!,f=-0.2) USER MOD Single : A 56 GLN : amide:sc= 1.13 K(o=1.1,f=-0.0053) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -84:sc= 1.37 USER MOD Single : A 64 SER OG : rot 170:sc= 0.0257 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.669 USER MOD Single : A 66 THR OG1 : rot 23:sc= 1.2 USER MOD Single : A 68 SER OG : rot 125:sc= 0.374 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 665 GLN : amide:sc= -0.345 X(o=-0.35,f=-0.016) USER MOD Single : A 666 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl -149:sc= -5.26! (180deg=-10.5!) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 675 THR OG1 : rot 155:sc= 0.335 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 13.200 -2.036 -6.505 1.00 0.00 N ATOM 327 CA LEU A 663 12.165 -2.666 -5.702 1.00 0.00 C ATOM 328 C LEU A 663 10.782 -2.410 -6.297 1.00 0.00 C ATOM 329 O LEU A 663 9.785 -2.946 -5.822 1.00 0.00 O ATOM 330 CB LEU A 663 12.226 -2.156 -4.260 1.00 0.00 C ATOM 331 CG LEU A 663 13.590 -2.282 -3.578 1.00 0.00 C ATOM 332 CD1 LEU A 663 13.561 -1.617 -2.210 1.00 0.00 C ATOM 333 CD2 LEU A 663 13.992 -3.745 -3.451 1.00 0.00 C ATOM 0 HA LEU A 663 12.342 -3.742 -5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 663 11.929 -1.107 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 663 11.491 -2.701 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 663 14.332 -1.775 -4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 663 14.538 -1.715 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 663 13.317 -0.561 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 663 12.807 -2.098 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 663 14.965 -3.814 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 663 13.249 -4.276 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 663 14.050 -4.194 -4.443 1.00 0.00 H new ATOM 345 N SER A 664 10.733 -1.606 -7.355 1.00 0.00 N ATOM 346 CA SER A 664 9.476 -1.293 -8.020 1.00 0.00 C ATOM 347 C SER A 664 8.934 -2.511 -8.769 1.00 0.00 C ATOM 348 O SER A 664 7.778 -2.531 -9.192 1.00 0.00 O ATOM 349 CB SER A 664 9.657 -0.110 -8.971 1.00 0.00 C ATOM 350 OG SER A 664 9.834 1.097 -8.244 1.00 0.00 O ATOM 0 H SER A 664 11.551 -1.160 -7.769 1.00 0.00 H new ATOM 0 HA SER A 664 8.747 -1.017 -7.258 1.00 0.00 H new ATOM 0 HB2 SER A 664 10.520 -0.283 -9.614 1.00 0.00 H new ATOM 0 HB3 SER A 664 8.787 -0.024 -9.622 1.00 0.00 H new ATOM 0 HG SER A 664 9.950 1.842 -8.870 1.00 0.00 H new ATOM 356 N GLN A 665 9.768 -3.530 -8.920 1.00 0.00 N ATOM 357 CA GLN A 665 9.331 -4.788 -9.508 1.00 0.00 C ATOM 358 C GLN A 665 8.508 -5.586 -8.497 1.00 0.00 C ATOM 359 O GLN A 665 7.713 -6.448 -8.866 1.00 0.00 O ATOM 360 CB GLN A 665 10.535 -5.608 -9.974 1.00 0.00 C ATOM 361 CG GLN A 665 10.555 -5.866 -11.473 1.00 0.00 C ATOM 362 CD GLN A 665 9.427 -6.772 -11.916 1.00 0.00 C ATOM 363 OE1 GLN A 665 9.555 -7.998 -11.905 1.00 0.00 O ATOM 364 NE2 GLN A 665 8.312 -6.180 -12.302 1.00 0.00 N ATOM 0 H GLN A 665 10.750 -3.510 -8.644 1.00 0.00 H new ATOM 0 HA GLN A 665 8.706 -4.567 -10.374 1.00 0.00 H new ATOM 0 HB2 GLN A 665 11.450 -5.087 -9.692 1.00 0.00 H new ATOM 0 HB3 GLN A 665 10.538 -6.564 -9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 665 10.485 -4.916 -12.004 1.00 0.00 H new ATOM 0 HG3 GLN A 665 11.509 -6.316 -11.749 1.00 0.00 H new ATOM 0 HE21 GLN A 665 8.247 -5.162 -12.296 1.00 0.00 H new ATOM 0 HE22 GLN A 665 7.516 -6.740 -12.606 1.00 0.00 H new ATOM 373 N TYR A 666 8.723 -5.295 -7.220 1.00 0.00 N ATOM 374 CA TYR A 666 7.983 -5.937 -6.141 1.00 0.00 C ATOM 375 C TYR A 666 6.904 -5.000 -5.612 1.00 0.00 C ATOM 376 O TYR A 666 6.285 -5.263 -4.580 1.00 0.00 O ATOM 377 CB TYR A 666 8.939 -6.328 -5.007 1.00 0.00 C ATOM 378 CG TYR A 666 10.193 -7.023 -5.484 1.00 0.00 C ATOM 379 CD1 TYR A 666 10.194 -8.384 -5.758 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.375 -6.315 -5.666 1.00 0.00 C ATOM 381 CE1 TYR A 666 11.337 -9.020 -6.202 1.00 0.00 C ATOM 382 CE2 TYR A 666 12.521 -6.945 -6.109 1.00 0.00 C ATOM 383 CZ TYR A 666 12.495 -8.297 -6.375 1.00 0.00 C ATOM 384 OH TYR A 666 13.638 -8.926 -6.820 1.00 0.00 O ATOM 0 H TYR A 666 9.411 -4.611 -6.904 1.00 0.00 H new ATOM 0 HA TYR A 666 7.507 -6.837 -6.530 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.219 -5.431 -4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.414 -6.982 -4.310 1.00 0.00 H new ATOM 0 HD1 TYR A 666 9.287 -8.954 -5.622 1.00 0.00 H new ATOM 0 HD2 TYR A 666 11.397 -5.256 -5.458 1.00 0.00 H new ATOM 0 HE1 TYR A 666 11.322 -10.079 -6.412 1.00 0.00 H new ATOM 0 HE2 TYR A 666 13.432 -6.382 -6.246 1.00 0.00 H new ATOM 0 HH TYR A 666 14.365 -8.273 -6.889 1.00 0.00 H new ATOM 394 N LYS A 667 6.682 -3.910 -6.335 1.00 0.00 N ATOM 395 CA LYS A 667 5.794 -2.849 -5.879 1.00 0.00 C ATOM 396 C LYS A 667 4.345 -3.114 -6.253 1.00 0.00 C ATOM 397 O LYS A 667 4.050 -3.762 -7.263 1.00 0.00 O ATOM 398 CB LYS A 667 6.220 -1.513 -6.487 1.00 0.00 C ATOM 399 CG LYS A 667 6.741 -0.510 -5.477 1.00 0.00 C ATOM 400 CD LYS A 667 7.118 0.804 -6.149 1.00 0.00 C ATOM 401 CE LYS A 667 8.030 1.641 -5.272 1.00 0.00 C ATOM 402 NZ LYS A 667 8.717 2.710 -6.043 1.00 0.00 N ATOM 0 H LYS A 667 7.108 -3.737 -7.246 1.00 0.00 H new ATOM 0 HA LYS A 667 5.868 -2.817 -4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 667 6.993 -1.696 -7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 667 5.369 -1.077 -7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 667 5.982 -0.328 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 667 7.611 -0.923 -4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 667 7.614 0.598 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 667 6.214 1.369 -6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 667 7.447 2.091 -4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 667 8.774 0.997 -4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 9.429 3.170 -5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 9.184 2.294 -6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 8.020 3.416 -6.355 1.00 0.00 H new ATOM 416 N MET A 668 3.449 -2.593 -5.437 1.00 0.00 N ATOM 417 CA MET A 668 2.031 -2.602 -5.744 1.00 0.00 C ATOM 418 C MET A 668 1.424 -1.249 -5.404 1.00 0.00 C ATOM 419 O MET A 668 1.473 -0.808 -4.256 1.00 0.00 O ATOM 420 CB MET A 668 1.313 -3.718 -4.982 1.00 0.00 C ATOM 421 CG MET A 668 1.529 -3.691 -3.476 1.00 0.00 C ATOM 422 SD MET A 668 2.504 -5.092 -2.890 1.00 0.00 S ATOM 423 CE MET A 668 2.049 -6.346 -4.086 1.00 0.00 C ATOM 0 H MET A 668 3.682 -2.153 -4.546 1.00 0.00 H new ATOM 0 HA MET A 668 1.906 -2.792 -6.810 1.00 0.00 H new ATOM 0 HB2 MET A 668 0.244 -3.650 -5.185 1.00 0.00 H new ATOM 0 HB3 MET A 668 1.650 -4.680 -5.368 1.00 0.00 H new ATOM 0 HG2 MET A 668 2.031 -2.763 -3.201 1.00 0.00 H new ATOM 0 HG3 MET A 668 0.562 -3.691 -2.974 1.00 0.00 H new ATOM 0 HE1 MET A 668 2.082 -7.328 -3.614 1.00 0.00 H new ATOM 0 HE2 MET A 668 1.040 -6.153 -4.450 1.00 0.00 H new ATOM 0 HE3 MET A 668 2.747 -6.321 -4.922 1.00 0.00 H new ATOM 433 N ASP A 669 0.884 -0.573 -6.404 1.00 0.00 N ATOM 434 CA ASP A 669 0.279 0.731 -6.184 1.00 0.00 C ATOM 435 C ASP A 669 -1.231 0.600 -6.074 1.00 0.00 C ATOM 436 O ASP A 669 -1.839 -0.250 -6.725 1.00 0.00 O ATOM 437 CB ASP A 669 0.640 1.702 -7.305 1.00 0.00 C ATOM 438 CG ASP A 669 0.634 3.139 -6.832 1.00 0.00 C ATOM 439 OD1 ASP A 669 1.615 3.566 -6.189 1.00 0.00 O ATOM 440 OD2 ASP A 669 -0.358 3.852 -7.088 1.00 0.00 O ATOM 0 H ASP A 669 0.852 -0.902 -7.369 1.00 0.00 H new ATOM 0 HA ASP A 669 0.671 1.130 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 669 1.626 1.453 -7.697 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -0.068 1.587 -8.126 1.00 0.00 H new ATOM 445 N VAL A 670 -1.832 1.468 -5.280 1.00 0.00 N ATOM 446 CA VAL A 670 -3.241 1.356 -4.948 1.00 0.00 C ATOM 447 C VAL A 670 -4.125 1.985 -6.026 1.00 0.00 C ATOM 448 O VAL A 670 -4.152 3.208 -6.190 1.00 0.00 O ATOM 449 CB VAL A 670 -3.530 2.027 -3.587 1.00 0.00 C ATOM 450 CG1 VAL A 670 -5.010 1.968 -3.245 1.00 0.00 C ATOM 451 CG2 VAL A 670 -2.700 1.378 -2.489 1.00 0.00 C ATOM 0 H VAL A 670 -1.362 2.264 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 670 -3.477 0.294 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 670 -3.249 3.077 -3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -5.180 2.449 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -5.582 2.486 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -5.330 0.927 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -2.915 1.862 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -2.949 0.319 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -1.641 1.488 -2.721 1.00 0.00 H new ATOM 461 N THR A 671 -4.820 1.140 -6.776 1.00 0.00 N ATOM 462 CA THR A 671 -5.819 1.605 -7.728 1.00 0.00 C ATOM 463 C THR A 671 -7.172 1.728 -7.031 1.00 0.00 C ATOM 464 O THR A 671 -7.622 0.788 -6.380 1.00 0.00 O ATOM 465 CB THR A 671 -5.948 0.639 -8.927 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.697 -0.028 -9.162 1.00 0.00 O ATOM 467 CG2 THR A 671 -6.369 1.388 -10.182 1.00 0.00 C ATOM 0 H THR A 671 -4.710 0.127 -6.743 1.00 0.00 H new ATOM 0 HA THR A 671 -5.500 2.577 -8.104 1.00 0.00 H new ATOM 0 HB THR A 671 -6.713 -0.099 -8.687 1.00 0.00 H new ATOM 0 HG1 THR A 671 -4.790 -0.639 -9.923 1.00 0.00 H new ATOM 0 HG21 THR A 671 -6.453 0.687 -11.013 1.00 0.00 H new ATOM 0 HG22 THR A 671 -7.333 1.868 -10.013 1.00 0.00 H new ATOM 0 HG23 THR A 671 -5.623 2.146 -10.421 1.00 0.00 H new ATOM 475 N VAL A 672 -7.805 2.885 -7.146 1.00 0.00 N ATOM 476 CA VAL A 672 -9.081 3.115 -6.484 1.00 0.00 C ATOM 477 C VAL A 672 -10.239 2.871 -7.443 1.00 0.00 C ATOM 478 O VAL A 672 -10.174 3.239 -8.616 1.00 0.00 O ATOM 479 CB VAL A 672 -9.189 4.547 -5.916 1.00 0.00 C ATOM 480 CG1 VAL A 672 -10.056 4.559 -4.667 1.00 0.00 C ATOM 481 CG2 VAL A 672 -7.811 5.122 -5.608 1.00 0.00 C ATOM 0 H VAL A 672 -7.459 3.676 -7.689 1.00 0.00 H new ATOM 0 HA VAL A 672 -9.135 2.410 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 672 -9.656 5.175 -6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -10.122 5.576 -4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -11.055 4.200 -4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -9.614 3.910 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -7.918 6.131 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -7.310 4.493 -4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -7.218 5.154 -6.522 1.00 0.00 H new ATOM 491 N ILE A 673 -11.289 2.240 -6.943 1.00 0.00 N ATOM 492 CA ILE A 673 -12.479 1.983 -7.738 1.00 0.00 C ATOM 493 C ILE A 673 -13.654 2.801 -7.205 1.00 0.00 C ATOM 494 O ILE A 673 -13.901 2.834 -5.998 1.00 0.00 O ATOM 495 CB ILE A 673 -12.836 0.480 -7.743 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.795 -0.312 -8.541 1.00 0.00 C ATOM 497 CG2 ILE A 673 -14.226 0.256 -8.321 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.758 -1.003 -7.679 1.00 0.00 C ATOM 0 H ILE A 673 -11.341 1.895 -5.985 1.00 0.00 H new ATOM 0 HA ILE A 673 -12.270 2.283 -8.765 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.833 0.125 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.307 -1.060 -9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -11.289 0.364 -9.230 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.455 -0.810 -8.314 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.961 0.789 -7.718 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -14.258 0.628 -9.345 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -10.057 -1.542 -8.316 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -10.218 -0.259 -7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.252 -1.705 -7.007 1.00 0.00 H new ATOM 510 N ASP A 674 -14.369 3.459 -8.109 1.00 0.00 N ATOM 511 CA ASP A 674 -15.477 4.333 -7.734 1.00 0.00 C ATOM 512 C ASP A 674 -16.763 3.533 -7.544 1.00 0.00 C ATOM 513 O ASP A 674 -17.561 3.380 -8.474 1.00 0.00 O ATOM 514 CB ASP A 674 -15.685 5.411 -8.804 1.00 0.00 C ATOM 515 CG ASP A 674 -16.415 6.636 -8.281 1.00 0.00 C ATOM 516 OD1 ASP A 674 -17.664 6.647 -8.293 1.00 0.00 O ATOM 517 OD2 ASP A 674 -15.740 7.607 -7.877 1.00 0.00 O ATOM 0 H ASP A 674 -14.201 3.404 -9.114 1.00 0.00 H new ATOM 0 HA ASP A 674 -15.227 4.811 -6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -14.715 5.714 -9.199 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -16.249 4.986 -9.634 1.00 0.00 H new ATOM 522 N THR A 675 -16.954 3.008 -6.342 1.00 0.00 N ATOM 523 CA THR A 675 -18.162 2.265 -6.012 1.00 0.00 C ATOM 524 C THR A 675 -19.327 3.209 -5.710 1.00 0.00 C ATOM 525 O THR A 675 -19.768 3.335 -4.564 1.00 0.00 O ATOM 526 CB THR A 675 -17.928 1.347 -4.802 1.00 0.00 C ATOM 527 OG1 THR A 675 -16.551 1.399 -4.404 1.00 0.00 O ATOM 528 CG2 THR A 675 -18.317 -0.087 -5.128 1.00 0.00 C ATOM 0 H THR A 675 -16.285 3.083 -5.576 1.00 0.00 H new ATOM 0 HA THR A 675 -18.414 1.657 -6.881 1.00 0.00 H new ATOM 0 HB THR A 675 -18.554 1.697 -3.981 1.00 0.00 H new ATOM 0 HG1 THR A 675 -16.477 1.173 -3.453 1.00 0.00 H new ATOM 0 HG21 THR A 675 -18.143 -0.718 -4.257 1.00 0.00 H new ATOM 0 HG22 THR A 675 -19.372 -0.125 -5.399 1.00 0.00 H new ATOM 0 HG23 THR A 675 -17.715 -0.446 -5.963 1.00 0.00 H new ATOM 806 N TRP A 20 -21.125 -8.298 -3.549 1.00 0.00 N ATOM 807 CA TRP A 20 -20.328 -7.140 -3.941 1.00 0.00 C ATOM 808 C TRP A 20 -18.942 -7.571 -4.416 1.00 0.00 C ATOM 809 O TRP A 20 -18.812 -8.431 -5.290 1.00 0.00 O ATOM 810 CB TRP A 20 -20.207 -6.135 -2.783 1.00 0.00 C ATOM 811 CG TRP A 20 -21.490 -5.896 -2.042 1.00 0.00 C ATOM 812 CD1 TRP A 20 -22.723 -5.667 -2.580 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.659 -5.861 -0.622 1.00 0.00 C ATOM 814 NE1 TRP A 20 -23.650 -5.492 -1.580 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.021 -5.609 -0.368 1.00 0.00 C ATOM 816 CE3 TRP A 20 -20.790 -6.019 0.461 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -23.532 -5.512 0.923 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -21.298 -5.925 1.741 1.00 0.00 C ATOM 819 CH2 TRP A 20 -22.658 -5.676 1.963 1.00 0.00 C ATOM 0 HA TRP A 20 -20.840 -6.648 -4.768 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.456 -6.496 -2.080 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -19.845 -5.185 -3.177 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -22.939 -5.629 -3.637 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -24.643 -5.306 -1.718 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -19.740 -6.211 0.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.579 -5.315 1.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -20.636 -6.046 2.585 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -23.025 -5.612 2.977 1.00 0.00 H new ATOM 830 N LYS A 21 -17.912 -6.976 -3.837 1.00 0.00 N ATOM 831 CA LYS A 21 -16.546 -7.325 -4.168 1.00 0.00 C ATOM 832 C LYS A 21 -15.864 -7.943 -2.956 1.00 0.00 C ATOM 833 O LYS A 21 -15.859 -7.357 -1.871 1.00 0.00 O ATOM 834 CB LYS A 21 -15.780 -6.092 -4.653 1.00 0.00 C ATOM 835 CG LYS A 21 -16.179 -5.642 -6.052 1.00 0.00 C ATOM 836 CD LYS A 21 -15.661 -6.595 -7.119 1.00 0.00 C ATOM 837 CE LYS A 21 -16.790 -7.135 -7.984 1.00 0.00 C ATOM 838 NZ LYS A 21 -16.293 -8.052 -9.046 1.00 0.00 N ATOM 0 H LYS A 21 -18.000 -6.245 -3.131 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.552 -8.056 -4.976 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.947 -5.272 -3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.712 -6.309 -4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.265 -5.578 -6.118 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.789 -4.641 -6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.936 -6.079 -7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.138 -7.424 -6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.506 -7.664 -7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.323 -6.303 -8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.095 -8.396 -9.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.629 -7.542 -9.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.807 -8.860 -8.607 1.00 0.00 H new ATOM 852 N ARG A 22 -15.318 -9.136 -3.150 1.00 0.00 N ATOM 853 CA ARG A 22 -14.671 -9.881 -2.077 1.00 0.00 C ATOM 854 C ARG A 22 -13.450 -9.145 -1.552 1.00 0.00 C ATOM 855 O ARG A 22 -12.713 -8.527 -2.321 1.00 0.00 O ATOM 856 CB ARG A 22 -14.255 -11.262 -2.580 1.00 0.00 C ATOM 857 CG ARG A 22 -14.930 -12.409 -1.853 1.00 0.00 C ATOM 858 CD ARG A 22 -16.439 -12.263 -1.884 1.00 0.00 C ATOM 859 NE ARG A 22 -17.055 -12.722 -0.644 1.00 0.00 N ATOM 860 CZ ARG A 22 -18.058 -13.598 -0.596 1.00 0.00 C ATOM 861 NH1 ARG A 22 -18.527 -14.130 -1.716 1.00 0.00 N ATOM 862 NH2 ARG A 22 -18.567 -13.963 0.572 1.00 0.00 N ATOM 0 H ARG A 22 -15.311 -9.613 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.387 -9.985 -1.262 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.483 -11.334 -3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.175 -11.365 -2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.644 -13.354 -2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.586 -12.441 -0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.699 -11.218 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.842 -12.832 -2.722 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.698 -12.351 0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.120 -13.869 -2.614 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.295 -14.801 -1.680 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.191 -13.573 1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.335 -14.634 0.607 1.00 0.00 H new ATOM 876 N CYS A 23 -13.240 -9.221 -0.247 1.00 0.00 N ATOM 877 CA CYS A 23 -12.091 -8.603 0.377 1.00 0.00 C ATOM 878 C CYS A 23 -11.103 -9.693 0.803 1.00 0.00 C ATOM 879 O CYS A 23 -11.511 -10.787 1.198 1.00 0.00 O ATOM 880 CB CYS A 23 -12.558 -7.712 1.537 1.00 0.00 C ATOM 881 SG CYS A 23 -12.285 -8.356 3.218 1.00 0.00 S ATOM 0 H CYS A 23 -13.858 -9.710 0.401 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.564 -7.954 -0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.051 -6.750 1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.624 -7.522 1.413 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.060 -8.116 3.581 1.00 0.00 H new ATOM 886 N ALA A 24 -9.813 -9.399 0.706 1.00 0.00 N ATOM 887 CA ALA A 24 -8.787 -10.441 0.768 1.00 0.00 C ATOM 888 C ALA A 24 -8.257 -10.693 2.179 1.00 0.00 C ATOM 889 O ALA A 24 -8.243 -11.833 2.643 1.00 0.00 O ATOM 890 CB ALA A 24 -7.638 -10.092 -0.164 1.00 0.00 C ATOM 0 H ALA A 24 -9.450 -8.454 0.585 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.266 -11.367 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.878 -10.872 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.009 -10.014 -1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.201 -9.140 0.137 1.00 0.00 H new ATOM 896 N GLY A 25 -7.818 -9.638 2.850 1.00 0.00 N ATOM 897 CA GLY A 25 -7.162 -9.785 4.140 1.00 0.00 C ATOM 898 C GLY A 25 -8.080 -10.353 5.204 1.00 0.00 C ATOM 899 O GLY A 25 -7.839 -11.446 5.723 1.00 0.00 O ATOM 0 H GLY A 25 -7.904 -8.675 2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.295 -10.436 4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.792 -8.813 4.467 1.00 0.00 H new ATOM 903 N CYS A 26 -9.124 -9.603 5.538 1.00 0.00 N ATOM 904 CA CYS A 26 -10.127 -10.068 6.487 1.00 0.00 C ATOM 905 C CYS A 26 -10.803 -11.333 5.969 1.00 0.00 C ATOM 906 O CYS A 26 -10.966 -12.309 6.707 1.00 0.00 O ATOM 907 CB CYS A 26 -11.162 -8.972 6.738 1.00 0.00 C ATOM 908 SG CYS A 26 -10.546 -7.290 6.405 1.00 0.00 S ATOM 0 H CYS A 26 -9.297 -8.670 5.165 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.634 -10.304 7.430 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.035 -9.160 6.113 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.494 -9.029 7.775 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.134 -6.814 5.347 1.00 0.00 H new ATOM 913 N GLY A 27 -11.180 -11.310 4.698 1.00 0.00 N ATOM 914 CA GLY A 27 -11.774 -12.475 4.079 1.00 0.00 C ATOM 915 C GLY A 27 -13.281 -12.384 4.014 1.00 0.00 C ATOM 916 O GLY A 27 -13.984 -13.334 4.363 1.00 0.00 O ATOM 0 H GLY A 27 -11.084 -10.501 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.375 -12.591 3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.490 -13.366 4.639 1.00 0.00 H new ATOM 920 N GLY A 28 -13.782 -11.245 3.576 1.00 0.00 N ATOM 921 CA GLY A 28 -15.212 -11.065 3.466 1.00 0.00 C ATOM 922 C GLY A 28 -15.590 -10.368 2.181 1.00 0.00 C ATOM 923 O GLY A 28 -15.421 -10.916 1.090 1.00 0.00 O ATOM 0 H GLY A 28 -13.224 -10.439 3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.706 -12.036 3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.572 -10.484 4.315 1.00 0.00 H new ATOM 927 N LYS A 29 -16.107 -9.165 2.316 1.00 0.00 N ATOM 928 CA LYS A 29 -16.412 -8.318 1.179 1.00 0.00 C ATOM 929 C LYS A 29 -16.247 -6.873 1.599 1.00 0.00 C ATOM 930 O LYS A 29 -16.535 -6.528 2.751 1.00 0.00 O ATOM 931 CB LYS A 29 -17.832 -8.560 0.654 1.00 0.00 C ATOM 932 CG LYS A 29 -18.845 -8.926 1.727 1.00 0.00 C ATOM 933 CD LYS A 29 -19.801 -10.004 1.241 1.00 0.00 C ATOM 934 CE LYS A 29 -21.169 -9.868 1.888 1.00 0.00 C ATOM 935 NZ LYS A 29 -21.144 -10.262 3.322 1.00 0.00 N ATOM 0 H LYS A 29 -16.329 -8.745 3.219 1.00 0.00 H new ATOM 0 HA LYS A 29 -15.726 -8.558 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.174 -7.662 0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.801 -9.359 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -18.324 -9.275 2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -19.410 -8.039 2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -19.902 -9.941 0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -19.387 -10.987 1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -21.512 -8.837 1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -21.887 -10.489 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -22.096 -10.155 3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -20.841 -11.254 3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -20.477 -9.653 3.838 1.00 0.00 H new ATOM 949 N ILE A 30 -15.778 -6.038 0.686 1.00 0.00 N ATOM 950 CA ILE A 30 -15.503 -4.648 1.003 1.00 0.00 C ATOM 951 C ILE A 30 -16.783 -3.918 1.380 1.00 0.00 C ATOM 952 O ILE A 30 -17.643 -3.649 0.539 1.00 0.00 O ATOM 953 CB ILE A 30 -14.807 -3.924 -0.168 1.00 0.00 C ATOM 954 CG1 ILE A 30 -13.465 -4.591 -0.464 1.00 0.00 C ATOM 955 CG2 ILE A 30 -14.609 -2.446 0.148 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.327 -5.051 -1.894 1.00 0.00 C ATOM 0 H ILE A 30 -15.580 -6.299 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.825 -4.639 1.856 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.443 -3.997 -1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -12.662 -3.891 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.339 -5.447 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.116 -1.957 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.578 -1.978 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.991 -2.344 1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.351 -5.515 -2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.109 -5.776 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.421 -4.195 -2.562 1.00 0.00 H new ATOM 968 N ALA A 31 -16.897 -3.607 2.662 1.00 0.00 N ATOM 969 CA ALA A 31 -18.051 -2.895 3.170 1.00 0.00 C ATOM 970 C ALA A 31 -17.629 -1.568 3.777 1.00 0.00 C ATOM 971 O ALA A 31 -18.351 -0.972 4.576 1.00 0.00 O ATOM 972 CB ALA A 31 -18.804 -3.747 4.180 1.00 0.00 C ATOM 0 H ALA A 31 -16.200 -3.839 3.369 1.00 0.00 H new ATOM 0 HA ALA A 31 -18.726 -2.687 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.668 -3.194 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.140 -4.667 3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.145 -3.991 5.013 1.00 0.00 H new ATOM 978 N ASP A 32 -16.439 -1.126 3.403 1.00 0.00 N ATOM 979 CA ASP A 32 -15.971 0.205 3.767 1.00 0.00 C ATOM 980 C ASP A 32 -16.683 1.211 2.879 1.00 0.00 C ATOM 981 O ASP A 32 -17.565 1.944 3.330 1.00 0.00 O ATOM 982 CB ASP A 32 -14.454 0.314 3.584 1.00 0.00 C ATOM 983 CG ASP A 32 -13.676 0.075 4.866 1.00 0.00 C ATOM 984 OD1 ASP A 32 -14.214 0.335 5.962 1.00 0.00 O ATOM 985 OD2 ASP A 32 -12.516 -0.387 4.782 1.00 0.00 O ATOM 0 H ASP A 32 -15.778 -1.669 2.847 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.191 0.403 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.133 -0.407 2.832 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.212 1.305 3.199 1.00 0.00 H new ATOM 990 N ARG A 33 -16.295 1.209 1.607 1.00 0.00 N ATOM 991 CA ARG A 33 -17.000 1.930 0.552 1.00 0.00 C ATOM 992 C ARG A 33 -16.264 1.757 -0.764 1.00 0.00 C ATOM 993 O ARG A 33 -16.770 1.137 -1.697 1.00 0.00 O ATOM 994 CB ARG A 33 -17.151 3.422 0.854 1.00 0.00 C ATOM 995 CG ARG A 33 -18.278 4.062 0.065 1.00 0.00 C ATOM 996 CD ARG A 33 -18.119 5.567 -0.035 1.00 0.00 C ATOM 997 NE ARG A 33 -19.400 6.231 -0.269 1.00 0.00 N ATOM 998 CZ ARG A 33 -20.104 6.845 0.681 1.00 0.00 C ATOM 999 NH1 ARG A 33 -19.653 6.877 1.931 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -21.264 7.418 0.384 1.00 0.00 N ATOM 0 H ARG A 33 -15.474 0.702 1.276 1.00 0.00 H new ATOM 0 HA ARG A 33 -18.002 1.506 0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -17.335 3.557 1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.216 3.933 0.625 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.308 3.633 -0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -19.231 3.829 0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -17.674 5.948 0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -17.431 5.807 -0.846 1.00 0.00 H new ATOM 0 HE ARG A 33 -19.778 6.224 -1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -18.766 6.431 2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -20.194 7.348 2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -21.617 7.389 -0.572 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -21.802 7.888 1.112 1.00 0.00 H new ATOM 1014 N PHE A 34 -15.057 2.294 -0.828 1.00 0.00 N ATOM 1015 CA PHE A 34 -14.252 2.207 -2.033 1.00 0.00 C ATOM 1016 C PHE A 34 -13.286 1.039 -1.935 1.00 0.00 C ATOM 1017 O PHE A 34 -12.690 0.802 -0.882 1.00 0.00 O ATOM 1018 CB PHE A 34 -13.486 3.513 -2.257 1.00 0.00 C ATOM 1019 CG PHE A 34 -14.206 4.478 -3.152 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -15.592 4.510 -3.192 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -13.495 5.350 -3.959 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -16.252 5.394 -4.019 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -14.150 6.237 -4.787 1.00 0.00 C ATOM 1024 CZ PHE A 34 -15.530 6.258 -4.819 1.00 0.00 C ATOM 0 H PHE A 34 -14.613 2.795 -0.058 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.914 2.043 -2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.304 3.989 -1.293 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.512 3.285 -2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -16.160 3.835 -2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.415 5.335 -3.940 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -17.332 5.411 -4.041 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.584 6.914 -5.410 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.045 6.950 -5.469 1.00 0.00 H new ATOM 1034 N LEU A 35 -13.151 0.299 -3.024 1.00 0.00 N ATOM 1035 CA LEU A 35 -12.228 -0.820 -3.058 1.00 0.00 C ATOM 1036 C LEU A 35 -10.931 -0.391 -3.717 1.00 0.00 C ATOM 1037 O LEU A 35 -10.928 0.448 -4.622 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.825 -2.024 -3.799 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.970 -1.717 -4.764 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -13.867 -2.592 -6.000 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -15.313 -1.924 -4.078 1.00 0.00 C ATOM 0 H LEU A 35 -13.666 0.453 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.033 -1.130 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.027 -2.514 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.182 -2.740 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.895 -0.673 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.689 -2.362 -6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.918 -2.402 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.920 -3.641 -5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.118 -1.701 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.397 -2.959 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.388 -1.260 -3.217 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.833 -0.954 -3.248 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.521 -0.611 -3.762 1.00 0.00 C ATOM 1055 C LEU A 36 -7.824 -1.839 -4.330 1.00 0.00 C ATOM 1056 O LEU A 36 -8.291 -2.966 -4.157 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.657 0.016 -2.670 1.00 0.00 C ATOM 1058 CG LEU A 36 -8.312 0.152 -1.299 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -7.319 -0.213 -0.210 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -8.831 1.567 -1.096 1.00 0.00 C ATOM 0 H LEU A 36 -9.825 -1.655 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.658 0.116 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.752 -0.582 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.347 1.006 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.158 -0.533 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.795 -0.113 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.989 -1.243 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.459 0.454 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.295 1.647 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.002 2.272 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.568 1.798 -1.865 1.00 0.00 H new ATOM 1072 N TYR A 37 -6.708 -1.610 -5.000 1.00 0.00 N ATOM 1073 CA TYR A 37 -5.962 -2.676 -5.647 1.00 0.00 C ATOM 1074 C TYR A 37 -4.544 -2.755 -5.102 1.00 0.00 C ATOM 1075 O TYR A 37 -3.974 -1.746 -4.688 1.00 0.00 O ATOM 1076 CB TYR A 37 -5.917 -2.434 -7.152 1.00 0.00 C ATOM 1077 CG TYR A 37 -6.752 -3.400 -7.946 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -6.547 -4.769 -7.848 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -7.747 -2.942 -8.793 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -7.308 -5.654 -8.579 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.514 -3.818 -9.527 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.292 -5.178 -9.415 1.00 0.00 C ATOM 1083 OH TYR A 37 -9.048 -6.061 -10.148 1.00 0.00 O ATOM 0 H TYR A 37 -6.295 -0.684 -5.111 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.466 -3.620 -5.441 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.257 -1.419 -7.358 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.883 -2.498 -7.490 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.779 -5.146 -7.189 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.924 -1.880 -8.879 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.133 -6.717 -8.497 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.284 -3.445 -10.186 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.920 -6.182 -9.717 1.00 0.00 H new ATOM 1093 N ALA A 38 -3.990 -3.957 -5.097 1.00 0.00 N ATOM 1094 CA ALA A 38 -2.608 -4.169 -4.696 1.00 0.00 C ATOM 1095 C ALA A 38 -1.965 -5.210 -5.603 1.00 0.00 C ATOM 1096 O ALA A 38 -1.397 -4.872 -6.639 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.533 -4.594 -3.236 1.00 0.00 C ATOM 0 H ALA A 38 -4.482 -4.808 -5.369 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.059 -3.233 -4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.491 -4.748 -2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.967 -3.816 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.087 -5.523 -3.099 1.00 0.00 H new ATOM 1103 N MET A 39 -2.066 -6.475 -5.213 1.00 0.00 N ATOM 1104 CA MET A 39 -1.597 -7.570 -6.052 1.00 0.00 C ATOM 1105 C MET A 39 -2.575 -7.792 -7.201 1.00 0.00 C ATOM 1106 O MET A 39 -2.353 -7.330 -8.319 1.00 0.00 O ATOM 1107 CB MET A 39 -1.457 -8.858 -5.235 1.00 0.00 C ATOM 1108 CG MET A 39 -0.431 -8.778 -4.119 1.00 0.00 C ATOM 1109 SD MET A 39 -1.147 -8.217 -2.562 1.00 0.00 S ATOM 1110 CE MET A 39 -0.696 -9.572 -1.480 1.00 0.00 C ATOM 0 H MET A 39 -2.468 -6.767 -4.322 1.00 0.00 H new ATOM 0 HA MET A 39 -0.618 -7.306 -6.452 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.426 -9.109 -4.805 1.00 0.00 H new ATOM 0 HB3 MET A 39 -1.185 -9.673 -5.906 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.021 -9.759 -3.975 1.00 0.00 H new ATOM 0 HG3 MET A 39 0.369 -8.098 -4.413 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.069 -9.375 -0.475 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.134 -10.497 -1.854 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.389 -9.669 -1.452 1.00 0.00 H new ATOM 1120 N ASP A 40 -3.660 -8.497 -6.911 1.00 0.00 N ATOM 1121 CA ASP A 40 -4.710 -8.742 -7.898 1.00 0.00 C ATOM 1122 C ASP A 40 -6.070 -8.840 -7.221 1.00 0.00 C ATOM 1123 O ASP A 40 -7.085 -9.095 -7.870 1.00 0.00 O ATOM 1124 CB ASP A 40 -4.425 -10.028 -8.681 1.00 0.00 C ATOM 1125 CG ASP A 40 -4.787 -11.285 -7.908 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -4.334 -11.428 -6.756 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -5.511 -12.143 -8.455 1.00 0.00 O ATOM 0 H ASP A 40 -3.839 -8.912 -5.997 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.722 -7.902 -8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.985 -10.009 -9.616 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.367 -10.061 -8.943 1.00 0.00 H new ATOM 1132 N SER A 41 -6.090 -8.626 -5.915 1.00 0.00 N ATOM 1133 CA SER A 41 -7.311 -8.743 -5.146 1.00 0.00 C ATOM 1134 C SER A 41 -7.952 -7.379 -4.935 1.00 0.00 C ATOM 1135 O SER A 41 -7.348 -6.345 -5.225 1.00 0.00 O ATOM 1136 CB SER A 41 -6.994 -9.390 -3.802 1.00 0.00 C ATOM 1137 OG SER A 41 -5.666 -9.887 -3.792 1.00 0.00 O ATOM 0 H SER A 41 -5.269 -8.369 -5.367 1.00 0.00 H new ATOM 0 HA SER A 41 -8.019 -9.364 -5.695 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.122 -8.661 -3.002 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.694 -10.203 -3.608 1.00 0.00 H new ATOM 0 HG SER A 41 -5.157 -9.446 -3.080 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.174 -7.387 -4.434 1.00 0.00 N ATOM 1144 CA TYR A 42 -9.864 -6.160 -4.084 1.00 0.00 C ATOM 1145 C TYR A 42 -9.694 -5.908 -2.593 1.00 0.00 C ATOM 1146 O TYR A 42 -9.957 -6.790 -1.775 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.349 -6.251 -4.436 1.00 0.00 C ATOM 1148 CG TYR A 42 -11.623 -6.559 -5.892 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.399 -5.608 -6.882 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.118 -7.800 -6.273 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -11.658 -5.888 -8.209 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -12.381 -8.086 -7.599 1.00 0.00 C ATOM 1153 CZ TYR A 42 -12.150 -7.126 -8.562 1.00 0.00 C ATOM 1154 OH TYR A 42 -12.413 -7.406 -9.885 1.00 0.00 O ATOM 0 H TYR A 42 -9.712 -8.236 -4.260 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.435 -5.334 -4.652 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.810 -7.023 -3.820 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.830 -5.308 -4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.017 -4.636 -6.609 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.300 -8.553 -5.521 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.476 -5.140 -8.967 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.765 -9.056 -7.880 1.00 0.00 H new ATOM 0 HH TYR A 42 -12.753 -8.322 -9.964 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.226 -4.725 -2.242 1.00 0.00 N ATOM 1165 CA TRP A 43 -8.948 -4.401 -0.852 1.00 0.00 C ATOM 1166 C TRP A 43 -9.750 -3.191 -0.402 1.00 0.00 C ATOM 1167 O TRP A 43 -10.500 -2.604 -1.178 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.453 -4.119 -0.651 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.553 -5.142 -1.279 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.236 -5.255 -2.602 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -5.839 -6.187 -0.607 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.392 -6.318 -2.797 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.129 -6.902 -1.588 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -5.737 -6.593 0.727 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.332 -7.997 -1.279 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -4.938 -7.679 1.032 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.245 -8.370 0.032 1.00 0.00 C ATOM 0 H TRP A 43 -9.030 -3.970 -2.900 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.238 -5.262 -0.250 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.219 -3.139 -1.067 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.243 -4.071 0.417 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.598 -4.602 -3.382 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.021 -6.623 -3.697 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.272 -6.068 1.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.799 -8.535 -2.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.847 -7.999 2.059 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.629 -9.215 0.302 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.576 -2.830 0.856 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.199 -1.644 1.436 1.00 0.00 C ATOM 1190 C HIS A 44 -9.301 -1.136 2.558 1.00 0.00 C ATOM 1191 O HIS A 44 -8.220 -1.690 2.778 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.624 -1.939 1.958 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.697 -3.101 2.901 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.254 -3.055 4.169 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.194 -4.344 2.757 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.056 -4.260 4.742 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.418 -5.055 3.914 1.00 0.00 N ATOM 0 H HIS A 44 -8.995 -3.352 1.512 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.306 -0.881 0.665 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.007 -1.051 2.461 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.279 -2.132 1.108 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -12.727 -2.256 4.592 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.696 -4.721 1.876 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.376 -4.532 5.737 1.00 0.00 H new ATOM 1205 N SER A 45 -9.748 -0.110 3.269 1.00 0.00 N ATOM 1206 CA SER A 45 -8.940 0.531 4.302 1.00 0.00 C ATOM 1207 C SER A 45 -8.473 -0.459 5.375 1.00 0.00 C ATOM 1208 O SER A 45 -7.366 -0.336 5.902 1.00 0.00 O ATOM 1209 CB SER A 45 -9.743 1.661 4.944 1.00 0.00 C ATOM 1210 OG SER A 45 -11.021 1.783 4.332 1.00 0.00 O ATOM 0 H SER A 45 -10.674 0.301 3.149 1.00 0.00 H new ATOM 0 HA SER A 45 -8.045 0.930 3.825 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.862 1.468 6.010 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.198 2.600 4.849 1.00 0.00 H new ATOM 0 HG SER A 45 -11.564 0.997 4.550 1.00 0.00 H new ATOM 1216 N ARG A 46 -9.307 -1.445 5.682 1.00 0.00 N ATOM 1217 CA ARG A 46 -9.002 -2.404 6.739 1.00 0.00 C ATOM 1218 C ARG A 46 -8.283 -3.643 6.207 1.00 0.00 C ATOM 1219 O ARG A 46 -7.882 -4.510 6.981 1.00 0.00 O ATOM 1220 CB ARG A 46 -10.290 -2.819 7.447 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.266 -2.570 8.942 1.00 0.00 C ATOM 1222 CD ARG A 46 -9.932 -3.839 9.708 1.00 0.00 C ATOM 1223 NE ARG A 46 -10.115 -3.673 11.146 1.00 0.00 N ATOM 1224 CZ ARG A 46 -10.870 -4.470 11.901 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -11.521 -5.492 11.358 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -10.976 -4.237 13.202 1.00 0.00 N ATOM 0 H ARG A 46 -10.200 -1.602 5.215 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.330 -1.912 7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.127 -2.275 7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.469 -3.879 7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.531 -1.799 9.173 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.236 -2.192 9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.564 -4.653 9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.900 -4.125 9.504 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.634 -2.898 11.602 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.445 -5.671 10.357 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.097 -6.098 11.942 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.481 -3.450 13.621 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.553 -4.845 13.784 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.111 -3.728 4.895 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.449 -4.880 4.300 1.00 0.00 C ATOM 1242 C CYS A 47 -5.998 -4.563 3.981 1.00 0.00 C ATOM 1243 O CYS A 47 -5.087 -5.223 4.486 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.164 -5.321 3.028 1.00 0.00 C ATOM 1245 SG CYS A 47 -8.814 -7.019 3.098 1.00 0.00 S ATOM 0 H CYS A 47 -8.418 -3.020 4.228 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.485 -5.692 5.026 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.988 -4.635 2.830 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.473 -5.241 2.188 1.00 0.00 H new ATOM 0 HG CYS A 47 -9.471 -7.187 4.207 1.00 0.00 H new ATOM 1250 N LEU A 48 -5.794 -3.548 3.153 1.00 0.00 N ATOM 1251 CA LEU A 48 -4.458 -3.172 2.717 1.00 0.00 C ATOM 1252 C LEU A 48 -3.693 -2.494 3.845 1.00 0.00 C ATOM 1253 O LEU A 48 -3.706 -1.272 3.986 1.00 0.00 O ATOM 1254 CB LEU A 48 -4.524 -2.246 1.500 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.220 -2.907 0.150 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -3.879 -1.853 -0.890 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.084 -3.910 0.275 1.00 0.00 C ATOM 0 H LEU A 48 -6.540 -2.969 2.769 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.930 -4.083 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.520 -1.806 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.821 -1.427 1.650 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.113 -3.444 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.666 -2.338 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.723 -1.173 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.004 -1.291 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.890 -4.363 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.186 -3.401 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.361 -4.686 0.988 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.054 -3.304 4.666 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.212 -2.809 5.737 1.00 0.00 C ATOM 1271 C LYS A 49 -1.005 -3.715 5.891 1.00 0.00 C ATOM 1272 O LYS A 49 -1.114 -4.930 5.716 1.00 0.00 O ATOM 1273 CB LYS A 49 -2.981 -2.727 7.066 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.212 -3.616 7.135 1.00 0.00 C ATOM 1275 CD LYS A 49 -3.927 -4.907 7.883 1.00 0.00 C ATOM 1276 CE LYS A 49 -5.211 -5.559 8.367 1.00 0.00 C ATOM 1277 NZ LYS A 49 -5.691 -6.609 7.429 1.00 0.00 N ATOM 0 H LYS A 49 -3.104 -4.321 4.610 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.887 -1.801 5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.307 -2.997 7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.284 -1.693 7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.022 -3.079 7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.552 -3.847 6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.390 -5.596 7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.278 -4.701 8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.046 -5.999 9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.982 -4.798 8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.576 -6.296 6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.972 -6.775 6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.862 -7.491 7.953 1.00 0.00 H new ATOM 1291 N CYS A 50 0.139 -3.117 6.189 1.00 0.00 N ATOM 1292 CA CYS A 50 1.363 -3.865 6.420 1.00 0.00 C ATOM 1293 C CYS A 50 1.130 -4.922 7.491 1.00 0.00 C ATOM 1294 O CYS A 50 0.563 -4.636 8.544 1.00 0.00 O ATOM 1295 CB CYS A 50 2.477 -2.901 6.841 1.00 0.00 C ATOM 1296 SG CYS A 50 4.031 -3.687 7.385 1.00 0.00 S ATOM 0 H CYS A 50 0.244 -2.106 6.277 1.00 0.00 H new ATOM 0 HA CYS A 50 1.664 -4.369 5.502 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.698 -2.241 6.003 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.104 -2.274 7.651 1.00 0.00 H new ATOM 0 HG CYS A 50 5.009 -2.838 7.274 1.00 0.00 H new ATOM 1301 N SER A 51 1.560 -6.135 7.224 1.00 0.00 N ATOM 1302 CA SER A 51 1.332 -7.228 8.150 1.00 0.00 C ATOM 1303 C SER A 51 2.212 -7.095 9.390 1.00 0.00 C ATOM 1304 O SER A 51 1.961 -7.737 10.412 1.00 0.00 O ATOM 1305 CB SER A 51 1.592 -8.561 7.453 1.00 0.00 C ATOM 1306 OG SER A 51 1.234 -8.490 6.079 1.00 0.00 O ATOM 0 H SER A 51 2.068 -6.392 6.377 1.00 0.00 H new ATOM 0 HA SER A 51 0.292 -7.191 8.475 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.645 -8.826 7.546 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.021 -9.350 7.942 1.00 0.00 H new ATOM 0 HG SER A 51 1.410 -9.353 5.650 1.00 0.00 H new ATOM 1312 N SER A 52 3.223 -6.240 9.313 1.00 0.00 N ATOM 1313 CA SER A 52 4.187 -6.116 10.394 1.00 0.00 C ATOM 1314 C SER A 52 3.860 -4.949 11.330 1.00 0.00 C ATOM 1315 O SER A 52 3.768 -5.136 12.544 1.00 0.00 O ATOM 1316 CB SER A 52 5.591 -5.959 9.819 1.00 0.00 C ATOM 1317 OG SER A 52 5.586 -6.151 8.412 1.00 0.00 O ATOM 0 H SER A 52 3.395 -5.626 8.517 1.00 0.00 H new ATOM 0 HA SER A 52 4.136 -7.028 10.989 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.976 -4.966 10.053 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.262 -6.679 10.286 1.00 0.00 H new ATOM 0 HG SER A 52 5.297 -5.325 7.970 1.00 0.00 H new ATOM 1323 N CYS A 53 3.663 -3.752 10.779 1.00 0.00 N ATOM 1324 CA CYS A 53 3.408 -2.583 11.619 1.00 0.00 C ATOM 1325 C CYS A 53 1.965 -2.104 11.467 1.00 0.00 C ATOM 1326 O CYS A 53 1.540 -1.151 12.129 1.00 0.00 O ATOM 1327 CB CYS A 53 4.405 -1.453 11.308 1.00 0.00 C ATOM 1328 SG CYS A 53 4.210 -0.682 9.670 1.00 0.00 S ATOM 0 H CYS A 53 3.674 -3.568 9.776 1.00 0.00 H new ATOM 0 HA CYS A 53 3.553 -2.877 12.658 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.305 -0.681 12.070 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.417 -1.850 11.388 1.00 0.00 H new ATOM 0 HG CYS A 53 4.113 -1.608 8.763 1.00 0.00 H new ATOM 1333 N GLN A 54 1.226 -2.786 10.594 1.00 0.00 N ATOM 1334 CA GLN A 54 -0.185 -2.503 10.344 1.00 0.00 C ATOM 1335 C GLN A 54 -0.392 -1.075 9.845 1.00 0.00 C ATOM 1336 O GLN A 54 -1.362 -0.412 10.211 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.030 -2.778 11.592 1.00 0.00 C ATOM 1338 CG GLN A 54 -1.432 -4.239 11.731 1.00 0.00 C ATOM 1339 CD GLN A 54 -2.935 -4.446 11.776 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -3.685 -3.575 11.117 1.00 0.00 O flip ATOM 1341 NE2 GLN A 54 -3.422 -5.392 12.396 1.00 0.00 N flip ATOM 0 H GLN A 54 1.593 -3.557 10.036 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.519 -3.176 9.555 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.470 -2.476 12.477 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.928 -2.162 11.558 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.019 -4.803 10.895 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.989 -4.646 12.640 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.814 -6.044 12.892 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.433 -5.524 12.413 1.00 0.00 H new ATOM 1350 N ALA A 55 0.530 -0.608 9.014 1.00 0.00 N ATOM 1351 CA ALA A 55 0.374 0.675 8.350 1.00 0.00 C ATOM 1352 C ALA A 55 -0.769 0.595 7.348 1.00 0.00 C ATOM 1353 O ALA A 55 -0.770 -0.266 6.467 1.00 0.00 O ATOM 1354 CB ALA A 55 1.670 1.078 7.664 1.00 0.00 C ATOM 0 H ALA A 55 1.394 -1.100 8.785 1.00 0.00 H new ATOM 0 HA ALA A 55 0.137 1.437 9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.537 2.041 7.171 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.465 1.157 8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.939 0.325 6.923 1.00 0.00 H new ATOM 1360 N GLN A 56 -1.742 1.484 7.487 1.00 0.00 N ATOM 1361 CA GLN A 56 -2.959 1.416 6.695 1.00 0.00 C ATOM 1362 C GLN A 56 -2.754 2.013 5.304 1.00 0.00 C ATOM 1363 O GLN A 56 -3.144 3.153 5.032 1.00 0.00 O ATOM 1364 CB GLN A 56 -4.105 2.122 7.424 1.00 0.00 C ATOM 1365 CG GLN A 56 -4.774 1.249 8.476 1.00 0.00 C ATOM 1366 CD GLN A 56 -6.153 1.741 8.867 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -6.316 2.463 9.850 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -7.160 1.342 8.108 1.00 0.00 N ATOM 0 H GLN A 56 -1.711 2.264 8.144 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.219 0.365 6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.723 3.025 7.900 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.851 2.438 6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.852 0.230 8.098 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.143 1.212 9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.984 0.743 7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.112 1.633 8.330 1.00 0.00 H new ATOM 1377 N LEU A 57 -2.152 1.221 4.424 1.00 0.00 N ATOM 1378 CA LEU A 57 -1.916 1.628 3.042 1.00 0.00 C ATOM 1379 C LEU A 57 -3.233 1.713 2.269 1.00 0.00 C ATOM 1380 O LEU A 57 -3.280 2.204 1.144 1.00 0.00 O ATOM 1381 CB LEU A 57 -0.956 0.648 2.353 1.00 0.00 C ATOM 1382 CG LEU A 57 0.185 0.128 3.236 1.00 0.00 C ATOM 1383 CD1 LEU A 57 0.243 -1.390 3.203 1.00 0.00 C ATOM 1384 CD2 LEU A 57 1.517 0.715 2.799 1.00 0.00 C ATOM 0 H LEU A 57 -1.815 0.284 4.646 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.459 2.618 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.530 -0.204 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.525 1.138 1.480 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.012 0.445 4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.060 -1.737 3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.699 -1.798 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.410 -1.726 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.311 0.332 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.717 0.433 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.479 1.801 2.878 1.00 0.00 H new ATOM 1396 N GLY A 58 -4.303 1.226 2.888 1.00 0.00 N ATOM 1397 CA GLY A 58 -5.620 1.336 2.302 1.00 0.00 C ATOM 1398 C GLY A 58 -6.147 2.757 2.320 1.00 0.00 C ATOM 1399 O GLY A 58 -6.982 3.124 1.496 1.00 0.00 O ATOM 0 H GLY A 58 -4.277 0.754 3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.587 0.977 1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.310 0.689 2.844 1.00 0.00 H new ATOM 1403 N ASP A 59 -5.669 3.557 3.268 1.00 0.00 N ATOM 1404 CA ASP A 59 -6.062 4.960 3.350 1.00 0.00 C ATOM 1405 C ASP A 59 -4.993 5.831 2.733 1.00 0.00 C ATOM 1406 O ASP A 59 -5.266 6.844 2.090 1.00 0.00 O ATOM 1407 CB ASP A 59 -6.315 5.371 4.802 1.00 0.00 C ATOM 1408 CG ASP A 59 -6.630 6.849 4.944 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -7.686 7.290 4.442 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -5.825 7.575 5.564 1.00 0.00 O ATOM 0 H ASP A 59 -5.011 3.259 3.988 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.991 5.093 2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.144 4.787 5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.437 5.131 5.402 1.00 0.00 H new ATOM 1415 N ILE A 60 -3.776 5.402 2.927 1.00 0.00 N ATOM 1416 CA ILE A 60 -2.616 6.052 2.341 1.00 0.00 C ATOM 1417 C ILE A 60 -2.119 5.222 1.168 1.00 0.00 C ATOM 1418 O ILE A 60 -1.282 4.335 1.337 1.00 0.00 O ATOM 1419 CB ILE A 60 -1.473 6.231 3.362 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -2.032 6.520 4.758 1.00 0.00 C ATOM 1421 CG2 ILE A 60 -0.543 7.355 2.924 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -1.195 5.940 5.878 1.00 0.00 C ATOM 0 H ILE A 60 -3.551 4.587 3.498 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.921 7.044 2.009 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.905 5.302 3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.108 7.599 4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.043 6.118 4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.258 7.470 3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.115 7.115 1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.105 8.286 2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.651 6.184 6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.140 4.857 5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.190 6.361 5.837 1.00 0.00 H new ATOM 1434 N GLY A 61 -2.643 5.514 -0.015 1.00 0.00 N ATOM 1435 CA GLY A 61 -2.385 4.686 -1.179 1.00 0.00 C ATOM 1436 C GLY A 61 -0.988 4.842 -1.743 1.00 0.00 C ATOM 1437 O GLY A 61 -0.813 5.336 -2.856 1.00 0.00 O ATOM 0 H GLY A 61 -3.247 6.317 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.545 3.641 -0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.110 4.931 -1.955 1.00 0.00 H new ATOM 1441 N THR A 62 0.003 4.423 -0.977 1.00 0.00 N ATOM 1442 CA THR A 62 1.381 4.432 -1.436 1.00 0.00 C ATOM 1443 C THR A 62 1.801 3.036 -1.883 1.00 0.00 C ATOM 1444 O THR A 62 1.310 2.036 -1.355 1.00 0.00 O ATOM 1445 CB THR A 62 2.332 4.931 -0.332 1.00 0.00 C ATOM 1446 OG1 THR A 62 1.607 5.770 0.575 1.00 0.00 O ATOM 1447 CG2 THR A 62 3.500 5.707 -0.927 1.00 0.00 C ATOM 0 H THR A 62 -0.122 4.070 -0.028 1.00 0.00 H new ATOM 0 HA THR A 62 1.445 5.116 -2.282 1.00 0.00 H new ATOM 0 HB THR A 62 2.732 4.067 0.199 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.210 6.088 1.280 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.156 6.048 -0.126 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.059 5.061 -1.604 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.122 6.568 -1.478 1.00 0.00 H new ATOM 1455 N SER A 63 2.691 2.974 -2.863 1.00 0.00 N ATOM 1456 CA SER A 63 3.158 1.703 -3.399 1.00 0.00 C ATOM 1457 C SER A 63 3.852 0.868 -2.322 1.00 0.00 C ATOM 1458 O SER A 63 4.936 1.215 -1.847 1.00 0.00 O ATOM 1459 CB SER A 63 4.105 1.956 -4.569 1.00 0.00 C ATOM 1460 OG SER A 63 3.943 3.272 -5.077 1.00 0.00 O ATOM 0 H SER A 63 3.106 3.794 -3.305 1.00 0.00 H new ATOM 0 HA SER A 63 2.294 1.138 -3.750 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.136 1.811 -4.246 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.914 1.231 -5.360 1.00 0.00 H new ATOM 0 HG SER A 63 3.199 3.287 -5.715 1.00 0.00 H new ATOM 1466 N SER A 64 3.207 -0.226 -1.938 1.00 0.00 N ATOM 1467 CA SER A 64 3.753 -1.143 -0.948 1.00 0.00 C ATOM 1468 C SER A 64 4.621 -2.193 -1.636 1.00 0.00 C ATOM 1469 O SER A 64 4.795 -2.149 -2.858 1.00 0.00 O ATOM 1470 CB SER A 64 2.611 -1.804 -0.178 1.00 0.00 C ATOM 1471 OG SER A 64 1.382 -1.144 -0.440 1.00 0.00 O ATOM 0 H SER A 64 2.295 -0.501 -2.302 1.00 0.00 H new ATOM 0 HA SER A 64 4.375 -0.591 -0.243 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.534 -2.854 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.823 -1.778 0.891 1.00 0.00 H new ATOM 0 HG SER A 64 0.643 -1.671 -0.072 1.00 0.00 H new ATOM 1477 N TYR A 65 5.159 -3.132 -0.866 1.00 0.00 N ATOM 1478 CA TYR A 65 6.070 -4.124 -1.419 1.00 0.00 C ATOM 1479 C TYR A 65 5.636 -5.541 -1.065 1.00 0.00 C ATOM 1480 O TYR A 65 5.070 -5.785 0.002 1.00 0.00 O ATOM 1481 CB TYR A 65 7.490 -3.884 -0.910 1.00 0.00 C ATOM 1482 CG TYR A 65 8.104 -2.594 -1.403 1.00 0.00 C ATOM 1483 CD1 TYR A 65 8.612 -2.494 -2.691 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.180 -1.479 -0.578 1.00 0.00 C ATOM 1485 CE1 TYR A 65 9.175 -1.319 -3.143 1.00 0.00 C ATOM 1486 CE2 TYR A 65 8.743 -0.300 -1.026 1.00 0.00 C ATOM 1487 CZ TYR A 65 9.239 -0.227 -2.307 1.00 0.00 C ATOM 1488 OH TYR A 65 9.801 0.944 -2.761 1.00 0.00 O ATOM 0 H TYR A 65 4.982 -3.226 0.134 1.00 0.00 H new ATOM 0 HA TYR A 65 6.048 -4.019 -2.504 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.479 -3.877 0.180 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.122 -4.717 -1.217 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.566 -3.349 -3.349 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.793 -1.535 0.429 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.564 -1.256 -4.149 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.794 0.560 -0.374 1.00 0.00 H new ATOM 0 HH TYR A 65 9.769 1.619 -2.051 1.00 0.00 H new ATOM 1498 N THR A 66 5.914 -6.464 -1.972 1.00 0.00 N ATOM 1499 CA THR A 66 5.637 -7.870 -1.749 1.00 0.00 C ATOM 1500 C THR A 66 6.822 -8.718 -2.197 1.00 0.00 C ATOM 1501 O THR A 66 7.781 -8.202 -2.769 1.00 0.00 O ATOM 1502 CB THR A 66 4.357 -8.323 -2.489 1.00 0.00 C ATOM 1503 OG1 THR A 66 3.764 -9.434 -1.803 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.642 -8.709 -3.940 1.00 0.00 C ATOM 0 H THR A 66 6.336 -6.259 -2.878 1.00 0.00 H new ATOM 0 HA THR A 66 5.475 -8.009 -0.680 1.00 0.00 H new ATOM 0 HB THR A 66 3.667 -7.479 -2.498 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.053 -9.432 -0.866 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.716 -9.021 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.056 -7.851 -4.470 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.358 -9.531 -3.964 1.00 0.00 H new ATOM 1512 N LYS A 67 6.757 -10.015 -1.929 1.00 0.00 N ATOM 1513 CA LYS A 67 7.801 -10.933 -2.355 1.00 0.00 C ATOM 1514 C LYS A 67 7.308 -12.367 -2.296 1.00 0.00 C ATOM 1515 O LYS A 67 7.330 -13.083 -3.295 1.00 0.00 O ATOM 1516 CB LYS A 67 9.052 -10.772 -1.489 1.00 0.00 C ATOM 1517 CG LYS A 67 10.314 -10.529 -2.301 1.00 0.00 C ATOM 1518 CD LYS A 67 11.558 -10.589 -1.433 1.00 0.00 C ATOM 1519 CE LYS A 67 12.791 -10.889 -2.264 1.00 0.00 C ATOM 1520 NZ LYS A 67 14.022 -10.294 -1.682 1.00 0.00 N ATOM 0 H LYS A 67 5.991 -10.454 -1.418 1.00 0.00 H new ATOM 0 HA LYS A 67 8.060 -10.694 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.905 -9.940 -0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.184 -11.668 -0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.386 -11.274 -3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.254 -9.554 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.688 -9.640 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.435 -11.357 -0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.916 -11.969 -2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.648 -10.506 -3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.795 -10.347 -2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.844 -9.299 -1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.289 -10.819 -0.825 1.00 0.00 H new ATOM 1534 N SER A 68 6.863 -12.781 -1.121 1.00 0.00 N ATOM 1535 CA SER A 68 6.363 -14.133 -0.928 1.00 0.00 C ATOM 1536 C SER A 68 4.906 -14.120 -0.468 1.00 0.00 C ATOM 1537 O SER A 68 4.548 -14.763 0.518 1.00 0.00 O ATOM 1538 CB SER A 68 7.239 -14.859 0.094 1.00 0.00 C ATOM 1539 OG SER A 68 8.611 -14.541 -0.099 1.00 0.00 O ATOM 0 H SER A 68 6.838 -12.199 -0.284 1.00 0.00 H new ATOM 0 HA SER A 68 6.405 -14.661 -1.881 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.935 -14.580 1.103 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.095 -15.936 0.004 1.00 0.00 H new ATOM 0 HG SER A 68 8.989 -14.200 0.739 1.00 0.00 H new ATOM 1545 N GLY A 69 4.068 -13.373 -1.182 1.00 0.00 N ATOM 1546 CA GLY A 69 2.653 -13.317 -0.844 1.00 0.00 C ATOM 1547 C GLY A 69 2.387 -12.530 0.422 1.00 0.00 C ATOM 1548 O GLY A 69 1.424 -12.800 1.142 1.00 0.00 O ATOM 0 H GLY A 69 4.340 -12.807 -1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.104 -12.866 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.272 -14.331 -0.724 1.00 0.00 H new ATOM 1552 N MET A 70 3.245 -11.562 0.697 1.00 0.00 N ATOM 1553 CA MET A 70 3.114 -10.740 1.891 1.00 0.00 C ATOM 1554 C MET A 70 3.199 -9.266 1.523 1.00 0.00 C ATOM 1555 O MET A 70 4.115 -8.858 0.810 1.00 0.00 O ATOM 1556 CB MET A 70 4.206 -11.096 2.902 1.00 0.00 C ATOM 1557 CG MET A 70 3.819 -12.219 3.852 1.00 0.00 C ATOM 1558 SD MET A 70 4.871 -13.673 3.670 1.00 0.00 S ATOM 1559 CE MET A 70 6.029 -13.427 5.015 1.00 0.00 C ATOM 0 H MET A 70 4.043 -11.325 0.108 1.00 0.00 H new ATOM 0 HA MET A 70 2.142 -10.934 2.345 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.108 -11.384 2.362 1.00 0.00 H new ATOM 0 HB3 MET A 70 4.452 -10.208 3.485 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.878 -11.858 4.879 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.781 -12.501 3.673 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.746 -14.248 5.033 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.559 -12.486 4.871 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.488 -13.397 5.961 1.00 0.00 H new ATOM 1569 N ILE A 71 2.237 -8.479 1.987 1.00 0.00 N ATOM 1570 CA ILE A 71 2.222 -7.042 1.712 1.00 0.00 C ATOM 1571 C ILE A 71 2.797 -6.268 2.890 1.00 0.00 C ATOM 1572 O ILE A 71 2.197 -6.215 3.965 1.00 0.00 O ATOM 1573 CB ILE A 71 0.801 -6.507 1.417 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.275 -7.515 1.838 1.00 0.00 C ATOM 1575 CG2 ILE A 71 0.662 -6.166 -0.058 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -0.588 -7.481 3.318 1.00 0.00 C ATOM 0 H ILE A 71 1.456 -8.808 2.555 1.00 0.00 H new ATOM 0 HA ILE A 71 2.834 -6.895 0.822 1.00 0.00 H new ATOM 0 HB ILE A 71 0.655 -5.601 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.188 -7.315 1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.053 -8.519 1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.343 -5.791 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.392 -5.402 -0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.837 -7.060 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.357 -8.219 3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.314 -7.710 3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.946 -6.489 3.591 1.00 0.00 H new ATOM 1588 N LEU A 72 3.965 -5.678 2.690 1.00 0.00 N ATOM 1589 CA LEU A 72 4.634 -4.933 3.747 1.00 0.00 C ATOM 1590 C LEU A 72 4.865 -3.494 3.311 1.00 0.00 C ATOM 1591 O LEU A 72 4.780 -3.179 2.119 1.00 0.00 O ATOM 1592 CB LEU A 72 5.979 -5.583 4.108 1.00 0.00 C ATOM 1593 CG LEU A 72 5.918 -6.994 4.715 1.00 0.00 C ATOM 1594 CD1 LEU A 72 4.667 -7.192 5.557 1.00 0.00 C ATOM 1595 CD2 LEU A 72 6.009 -8.051 3.622 1.00 0.00 C ATOM 0 H LEU A 72 4.471 -5.700 1.804 1.00 0.00 H new ATOM 0 HA LEU A 72 3.991 -4.946 4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.590 -5.626 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.495 -4.931 4.812 1.00 0.00 H new ATOM 0 HG LEU A 72 6.776 -7.105 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.661 -8.201 5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.659 -6.468 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.783 -7.048 4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.964 -9.043 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.178 -7.929 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.950 -7.938 3.084 1.00 0.00 H new ATOM 1607 N CYS A 73 5.149 -2.628 4.275 1.00 0.00 N ATOM 1608 CA CYS A 73 5.433 -1.234 3.986 1.00 0.00 C ATOM 1609 C CYS A 73 6.838 -1.082 3.406 1.00 0.00 C ATOM 1610 O CYS A 73 7.560 -2.067 3.226 1.00 0.00 O ATOM 1611 CB CYS A 73 5.288 -0.393 5.257 1.00 0.00 C ATOM 1612 SG CYS A 73 6.471 -0.819 6.578 1.00 0.00 S ATOM 0 H CYS A 73 5.188 -2.870 5.265 1.00 0.00 H new ATOM 0 HA CYS A 73 4.716 -0.879 3.246 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.413 0.659 4.999 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.275 -0.509 5.642 1.00 0.00 H new ATOM 0 HG CYS A 73 7.259 0.192 6.798 1.00 0.00 H new ATOM 1617 N ARG A 74 7.226 0.160 3.138 1.00 0.00 N ATOM 1618 CA ARG A 74 8.534 0.442 2.558 1.00 0.00 C ATOM 1619 C ARG A 74 9.650 0.001 3.497 1.00 0.00 C ATOM 1620 O ARG A 74 10.663 -0.539 3.062 1.00 0.00 O ATOM 1621 CB ARG A 74 8.680 1.936 2.249 1.00 0.00 C ATOM 1622 CG ARG A 74 7.545 2.515 1.417 1.00 0.00 C ATOM 1623 CD ARG A 74 7.903 3.881 0.844 1.00 0.00 C ATOM 1624 NE ARG A 74 8.782 4.646 1.733 1.00 0.00 N ATOM 1625 CZ ARG A 74 8.714 5.966 1.908 1.00 0.00 C ATOM 1626 NH1 ARG A 74 7.841 6.697 1.222 1.00 0.00 N ATOM 1627 NH2 ARG A 74 9.542 6.556 2.760 1.00 0.00 N ATOM 0 H ARG A 74 6.654 0.986 3.313 1.00 0.00 H new ATOM 0 HA ARG A 74 8.613 -0.121 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.744 2.485 3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.620 2.096 1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.305 1.831 0.603 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.650 2.603 2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.392 3.750 -0.122 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.989 4.448 0.665 1.00 0.00 H new ATOM 0 HE ARG A 74 9.494 4.134 2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.214 6.249 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.798 7.706 1.364 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.224 6.000 3.276 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.496 7.565 2.899 1.00 0.00 H new ATOM 1641 N ASN A 75 9.442 0.217 4.785 1.00 0.00 N ATOM 1642 CA ASN A 75 10.453 -0.088 5.787 1.00 0.00 C ATOM 1643 C ASN A 75 10.476 -1.575 6.112 1.00 0.00 C ATOM 1644 O ASN A 75 11.535 -2.201 6.157 1.00 0.00 O ATOM 1645 CB ASN A 75 10.199 0.696 7.083 1.00 0.00 C ATOM 1646 CG ASN A 75 9.342 1.935 6.894 1.00 0.00 C ATOM 1647 OD1 ASN A 75 8.032 1.747 6.808 1.00 0.00 O flip ATOM 1648 ND2 ASN A 75 9.850 3.054 6.844 1.00 0.00 N flip ATOM 0 H ASN A 75 8.578 0.604 5.164 1.00 0.00 H new ATOM 0 HA ASN A 75 11.415 0.205 5.367 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.715 0.038 7.805 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.157 0.991 7.512 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.862 3.158 6.914 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.259 3.878 6.733 1.00 0.00 H new ATOM 1655 N ASP A 76 9.294 -2.142 6.321 1.00 0.00 N ATOM 1656 CA ASP A 76 9.182 -3.502 6.834 1.00 0.00 C ATOM 1657 C ASP A 76 9.562 -4.531 5.791 1.00 0.00 C ATOM 1658 O ASP A 76 9.936 -5.650 6.131 1.00 0.00 O ATOM 1659 CB ASP A 76 7.772 -3.777 7.342 1.00 0.00 C ATOM 1660 CG ASP A 76 7.665 -3.595 8.838 1.00 0.00 C ATOM 1661 OD1 ASP A 76 8.521 -4.148 9.575 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.732 -2.901 9.290 1.00 0.00 O ATOM 0 H ASP A 76 8.401 -1.682 6.144 1.00 0.00 H new ATOM 0 HA ASP A 76 9.883 -3.587 7.664 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.070 -3.108 6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.484 -4.795 7.079 1.00 0.00 H new ATOM 1667 N TYR A 77 9.470 -4.159 4.522 1.00 0.00 N ATOM 1668 CA TYR A 77 9.879 -5.052 3.450 1.00 0.00 C ATOM 1669 C TYR A 77 11.368 -5.369 3.567 1.00 0.00 C ATOM 1670 O TYR A 77 11.779 -6.521 3.425 1.00 0.00 O ATOM 1671 CB TYR A 77 9.574 -4.447 2.078 1.00 0.00 C ATOM 1672 CG TYR A 77 10.225 -5.198 0.938 1.00 0.00 C ATOM 1673 CD1 TYR A 77 9.993 -6.555 0.753 1.00 0.00 C ATOM 1674 CD2 TYR A 77 11.085 -4.553 0.058 1.00 0.00 C ATOM 1675 CE1 TYR A 77 10.597 -7.248 -0.277 1.00 0.00 C ATOM 1676 CE2 TYR A 77 11.696 -5.241 -0.971 1.00 0.00 C ATOM 1677 CZ TYR A 77 11.447 -6.587 -1.136 1.00 0.00 C ATOM 1678 OH TYR A 77 12.065 -7.275 -2.151 1.00 0.00 O ATOM 0 H TYR A 77 9.119 -3.253 4.212 1.00 0.00 H new ATOM 0 HA TYR A 77 9.309 -5.976 3.545 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.495 -4.433 1.926 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.912 -3.411 2.062 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.329 -7.077 1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.278 -3.498 0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.404 -8.302 -0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 77 12.366 -4.727 -1.644 1.00 0.00 H new ATOM 0 HH TYR A 77 12.980 -7.503 -1.882 1.00 0.00 H new ATOM 1688 N ILE A 78 12.165 -4.346 3.850 1.00 0.00 N ATOM 1689 CA ILE A 78 13.604 -4.515 3.985 1.00 0.00 C ATOM 1690 C ILE A 78 13.935 -5.270 5.268 1.00 0.00 C ATOM 1691 O ILE A 78 14.906 -6.022 5.329 1.00 0.00 O ATOM 1692 CB ILE A 78 14.343 -3.159 3.991 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.588 -2.123 3.151 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.759 -3.334 3.465 1.00 0.00 C ATOM 1695 CD1 ILE A 78 13.965 -0.688 3.465 1.00 0.00 C ATOM 0 H ILE A 78 11.838 -3.390 3.990 1.00 0.00 H new ATOM 0 HA ILE A 78 13.941 -5.088 3.121 1.00 0.00 H new ATOM 0 HB ILE A 78 14.389 -2.796 5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 78 13.779 -2.316 2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.517 -2.251 3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 78 16.272 -2.372 3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.298 -4.038 4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.724 -3.717 2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 78 13.390 -0.014 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.748 -0.476 4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 78 15.029 -0.542 3.278 1.00 0.00 H new ATOM 1707 N ARG A 79 13.114 -5.065 6.288 1.00 0.00 N ATOM 1708 CA ARG A 79 13.293 -5.741 7.564 1.00 0.00 C ATOM 1709 C ARG A 79 12.936 -7.219 7.445 1.00 0.00 C ATOM 1710 O ARG A 79 13.576 -8.075 8.056 1.00 0.00 O ATOM 1711 CB ARG A 79 12.428 -5.078 8.640 1.00 0.00 C ATOM 1712 CG ARG A 79 12.897 -5.368 10.057 1.00 0.00 C ATOM 1713 CD ARG A 79 12.078 -4.607 11.089 1.00 0.00 C ATOM 1714 NE ARG A 79 12.897 -4.161 12.218 1.00 0.00 N ATOM 1715 CZ ARG A 79 13.255 -4.943 13.236 1.00 0.00 C ATOM 1716 NH1 ARG A 79 12.845 -6.206 13.285 1.00 0.00 N ATOM 1717 NH2 ARG A 79 14.018 -4.458 14.211 1.00 0.00 N ATOM 0 H ARG A 79 12.314 -4.433 6.256 1.00 0.00 H new ATOM 0 HA ARG A 79 14.341 -5.660 7.851 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.425 -4.000 8.480 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.399 -5.419 8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.824 -6.438 10.252 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.948 -5.097 10.155 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.611 -3.743 10.616 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.273 -5.244 11.455 1.00 0.00 H new ATOM 0 HE ARG A 79 13.213 -3.191 12.226 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.254 -6.580 12.542 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.121 -6.802 14.066 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.329 -3.487 14.180 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.292 -5.057 14.990 1.00 0.00 H new ATOM 1731 N LEU A 80 11.916 -7.510 6.650 1.00 0.00 N ATOM 1732 CA LEU A 80 11.459 -8.880 6.467 1.00 0.00 C ATOM 1733 C LEU A 80 12.328 -9.623 5.459 1.00 0.00 C ATOM 1734 O LEU A 80 12.843 -10.703 5.752 1.00 0.00 O ATOM 1735 CB LEU A 80 10.001 -8.904 6.002 1.00 0.00 C ATOM 1736 CG LEU A 80 8.957 -9.091 7.109 1.00 0.00 C ATOM 1737 CD1 LEU A 80 7.690 -9.712 6.545 1.00 0.00 C ATOM 1738 CD2 LEU A 80 9.505 -9.955 8.235 1.00 0.00 C ATOM 0 H LEU A 80 11.389 -6.815 6.121 1.00 0.00 H new ATOM 0 HA LEU A 80 11.538 -9.383 7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.789 -7.970 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.883 -9.708 5.276 1.00 0.00 H new ATOM 0 HG LEU A 80 8.718 -8.108 7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.960 -9.838 7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.277 -9.060 5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.923 -10.684 6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.745 -10.072 9.007 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.777 -10.935 7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.387 -9.478 8.663 1.00 0.00 H new ATOM 1750 N PHE A 81 12.478 -9.050 4.271 1.00 0.00 N ATOM 1751 CA PHE A 81 13.228 -9.696 3.200 1.00 0.00 C ATOM 1752 C PHE A 81 14.325 -8.780 2.668 1.00 0.00 C ATOM 1753 O PHE A 81 15.502 -8.951 2.990 1.00 0.00 O ATOM 1754 CB PHE A 81 12.293 -10.093 2.050 1.00 0.00 C ATOM 1755 CG PHE A 81 11.325 -11.188 2.397 1.00 0.00 C ATOM 1756 CD1 PHE A 81 10.140 -10.901 3.051 1.00 0.00 C ATOM 1757 CD2 PHE A 81 11.601 -12.504 2.060 1.00 0.00 C ATOM 1758 CE1 PHE A 81 9.246 -11.906 3.369 1.00 0.00 C ATOM 1759 CE2 PHE A 81 10.711 -13.514 2.375 1.00 0.00 C ATOM 1760 CZ PHE A 81 9.532 -13.214 3.030 1.00 0.00 C ATOM 0 H PHE A 81 12.090 -8.139 4.025 1.00 0.00 H new ATOM 0 HA PHE A 81 13.689 -10.592 3.615 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.732 -9.214 1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 81 12.896 -10.411 1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.911 -9.879 3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 81 12.520 -12.743 1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.325 -11.669 3.882 1.00 0.00 H new ATOM 0 HE2 PHE A 81 10.937 -14.536 2.109 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.835 -14.001 3.277 1.00 0.00 H new ATOM 1770 N GLY A 82 13.927 -7.803 1.865 1.00 0.00 N ATOM 1771 CA GLY A 82 14.889 -6.944 1.210 1.00 0.00 C ATOM 1772 C GLY A 82 15.324 -7.516 -0.120 1.00 0.00 C ATOM 1773 O GLY A 82 14.461 -7.678 -1.012 1.00 0.00 O ATOM 1774 OXT GLY A 82 16.517 -7.841 -0.270 1.00 0.00 O ATOM 0 H GLY A 82 12.952 -7.591 1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.453 -5.957 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.759 -6.813 1.853 1.00 0.00 H new