USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=28 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= 0.142 USER MOD Set 1.2: A 665 GLN : amide:sc= -0.313 K(o=-0.17,f=-1.4!) USER MOD Set 2.1: A 64 SER OG : rot 93:sc= 1.26 USER MOD Set 2.2: A 668 MET CE :methyl 167:sc= -0.381 (180deg=-0.907) USER MOD Set 3.1: A 50 CYS SG : rot 150:sc= 3 USER MOD Set 3.2: A 52 SER OG : rot 76:sc= 1.42 USER MOD Set 3.3: A 53 CYS SG : rot 55:sc= 0.491 USER MOD Set 3.4: A 73 CYS SG : rot -134:sc= -3.9! USER MOD Set 3.5: A 75 ASN : amide:sc= 0.251 K(o=1.3,f=0.49) USER MOD Set 4.1: A 49 LYS NZ :NH3+ -174:sc= 0.138 (180deg=0.127) USER MOD Set 4.2: A 56 GLN : amide:sc= -0.038 X(o=0.1,f=0) USER MOD Set 5.1: A 37 TYR OH : rot 113:sc= 0.809 USER MOD Set 5.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 23 CYS SG : rot 70:sc= 1.08 USER MOD Set 6.2: A 26 CYS SG : rot -34:sc= 0.502 USER MOD Set 6.3: A 44 HIS : no HD1:sc= -1.93! C(o=-0.81!,f=-4.1!) USER MOD Set 6.4: A 47 CYS SG : rot 167:sc= -0.462 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 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 92:sc= 0.0912 USER MOD Single : A 45 SER OG : rot 71:sc= 1.4 USER MOD Single : A 51 SER OG : rot 82:sc= 0.572 USER MOD Single : A 54 GLN :FLIP amide:sc= -0.303 F(o=-1.3,f=-0.3) USER MOD Single : A 62 THR OG1 : rot 82:sc= -1.73! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 60:sc= 1.24 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 103:sc= 0.394 USER MOD Single : A 70 MET CE :methyl 153:sc= 0 (180deg=-0.172) USER MOD Single : A 77 TYR OH : rot -115:sc= 1.26 USER MOD Single : A 666 TYR OH : rot 180:sc= 0 USER MOD Single : A 667 LYS NZ :NH3+ -168:sc= 1.21 (180deg=1.08) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 675 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 13.370 -1.604 -7.422 1.00 0.00 N ATOM 327 CA LEU A 663 12.146 -2.101 -6.787 1.00 0.00 C ATOM 328 C LEU A 663 10.913 -1.822 -7.644 1.00 0.00 C ATOM 329 O LEU A 663 9.819 -1.606 -7.122 1.00 0.00 O ATOM 330 CB LEU A 663 11.980 -1.490 -5.392 1.00 0.00 C ATOM 331 CG LEU A 663 13.101 -1.814 -4.401 1.00 0.00 C ATOM 332 CD1 LEU A 663 12.839 -1.145 -3.061 1.00 0.00 C ATOM 333 CD2 LEU A 663 13.246 -3.320 -4.226 1.00 0.00 C ATOM 0 HA LEU A 663 12.241 -3.182 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 663 11.908 -0.407 -5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 663 11.035 -1.834 -4.972 1.00 0.00 H new ATOM 0 HG LEU A 663 14.036 -1.425 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 663 13.646 -1.387 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 663 12.789 -0.065 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 663 11.893 -1.503 -2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 663 14.048 -3.528 -3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 663 12.311 -3.734 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 663 13.483 -3.777 -5.187 1.00 0.00 H new ATOM 345 N SER A 664 11.096 -1.865 -8.960 1.00 0.00 N ATOM 346 CA SER A 664 10.034 -1.547 -9.902 1.00 0.00 C ATOM 347 C SER A 664 8.902 -2.567 -9.822 1.00 0.00 C ATOM 348 O SER A 664 7.768 -2.231 -9.488 1.00 0.00 O ATOM 349 CB SER A 664 10.614 -1.521 -11.313 1.00 0.00 C ATOM 350 OG SER A 664 11.881 -2.166 -11.335 1.00 0.00 O ATOM 0 H SER A 664 11.980 -2.120 -9.399 1.00 0.00 H new ATOM 0 HA SER A 664 9.621 -0.570 -9.650 1.00 0.00 H new ATOM 0 HB2 SER A 664 9.933 -2.018 -12.003 1.00 0.00 H new ATOM 0 HB3 SER A 664 10.716 -0.490 -11.653 1.00 0.00 H new ATOM 0 HG SER A 664 12.243 -2.145 -12.245 1.00 0.00 H new ATOM 356 N GLN A 665 9.231 -3.822 -10.101 1.00 0.00 N ATOM 357 CA GLN A 665 8.240 -4.890 -10.109 1.00 0.00 C ATOM 358 C GLN A 665 7.959 -5.379 -8.694 1.00 0.00 C ATOM 359 O GLN A 665 7.008 -6.126 -8.459 1.00 0.00 O ATOM 360 CB GLN A 665 8.715 -6.056 -10.980 1.00 0.00 C ATOM 361 CG GLN A 665 8.991 -5.671 -12.424 1.00 0.00 C ATOM 362 CD GLN A 665 10.433 -5.262 -12.651 1.00 0.00 C ATOM 363 OE1 GLN A 665 11.347 -5.796 -12.023 1.00 0.00 O ATOM 364 NE2 GLN A 665 10.643 -4.307 -13.541 1.00 0.00 N ATOM 0 H GLN A 665 10.179 -4.125 -10.325 1.00 0.00 H new ATOM 0 HA GLN A 665 7.317 -4.490 -10.528 1.00 0.00 H new ATOM 0 HB2 GLN A 665 9.623 -6.475 -10.546 1.00 0.00 H new ATOM 0 HB3 GLN A 665 7.960 -6.842 -10.961 1.00 0.00 H new ATOM 0 HG2 GLN A 665 8.749 -6.512 -13.073 1.00 0.00 H new ATOM 0 HG3 GLN A 665 8.334 -4.849 -12.709 1.00 0.00 H new ATOM 0 HE21 GLN A 665 9.856 -3.892 -14.039 1.00 0.00 H new ATOM 0 HE22 GLN A 665 11.592 -3.985 -13.730 1.00 0.00 H new ATOM 373 N TYR A 666 8.792 -4.956 -7.753 1.00 0.00 N ATOM 374 CA TYR A 666 8.624 -5.344 -6.361 1.00 0.00 C ATOM 375 C TYR A 666 7.487 -4.565 -5.737 1.00 0.00 C ATOM 376 O TYR A 666 6.760 -5.080 -4.887 1.00 0.00 O ATOM 377 CB TYR A 666 9.901 -5.101 -5.562 1.00 0.00 C ATOM 378 CG TYR A 666 11.014 -6.061 -5.899 1.00 0.00 C ATOM 379 CD1 TYR A 666 11.712 -5.953 -7.093 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.361 -7.082 -5.026 1.00 0.00 C ATOM 381 CE1 TYR A 666 12.724 -6.835 -7.407 1.00 0.00 C ATOM 382 CE2 TYR A 666 12.372 -7.969 -5.334 1.00 0.00 C ATOM 383 CZ TYR A 666 13.050 -7.840 -6.525 1.00 0.00 C ATOM 384 OH TYR A 666 14.055 -8.718 -6.839 1.00 0.00 O ATOM 0 H TYR A 666 9.590 -4.345 -7.929 1.00 0.00 H new ATOM 0 HA TYR A 666 8.396 -6.410 -6.338 1.00 0.00 H new ATOM 0 HB2 TYR A 666 10.244 -4.082 -5.742 1.00 0.00 H new ATOM 0 HB3 TYR A 666 9.675 -5.178 -4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 666 11.459 -5.166 -7.787 1.00 0.00 H new ATOM 0 HD2 TYR A 666 10.831 -7.184 -4.090 1.00 0.00 H new ATOM 0 HE1 TYR A 666 13.258 -6.738 -8.341 1.00 0.00 H new ATOM 0 HE2 TYR A 666 12.630 -8.760 -4.645 1.00 0.00 H new ATOM 0 HH TYR A 666 14.162 -9.366 -6.112 1.00 0.00 H new ATOM 394 N LYS A 667 7.347 -3.315 -6.153 1.00 0.00 N ATOM 395 CA LYS A 667 6.267 -2.485 -5.671 1.00 0.00 C ATOM 396 C LYS A 667 4.945 -2.985 -6.224 1.00 0.00 C ATOM 397 O LYS A 667 4.827 -3.296 -7.411 1.00 0.00 O ATOM 398 CB LYS A 667 6.500 -1.013 -6.040 1.00 0.00 C ATOM 399 CG LYS A 667 5.302 -0.310 -6.672 1.00 0.00 C ATOM 400 CD LYS A 667 5.685 0.397 -7.961 1.00 0.00 C ATOM 401 CE LYS A 667 4.605 0.235 -9.019 1.00 0.00 C ATOM 402 NZ LYS A 667 3.819 1.483 -9.206 1.00 0.00 N ATOM 0 H LYS A 667 7.969 -2.860 -6.821 1.00 0.00 H new ATOM 0 HA LYS A 667 6.234 -2.549 -4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 667 6.788 -0.470 -5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 667 7.342 -0.956 -6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 667 4.517 -1.039 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 667 4.891 0.413 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 667 5.848 1.456 -7.763 1.00 0.00 H new ATOM 0 HD3 LYS A 667 6.627 -0.006 -8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 667 5.064 -0.050 -9.966 1.00 0.00 H new ATOM 0 HE3 LYS A 667 3.935 -0.576 -8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 2.974 1.279 -9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 3.529 1.853 -8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 4.403 2.192 -9.694 1.00 0.00 H new ATOM 416 N MET A 668 3.968 -3.086 -5.351 1.00 0.00 N ATOM 417 CA MET A 668 2.635 -3.485 -5.755 1.00 0.00 C ATOM 418 C MET A 668 1.813 -2.247 -6.058 1.00 0.00 C ATOM 419 O MET A 668 1.667 -1.364 -5.211 1.00 0.00 O ATOM 420 CB MET A 668 1.947 -4.342 -4.684 1.00 0.00 C ATOM 421 CG MET A 668 2.483 -4.140 -3.278 1.00 0.00 C ATOM 422 SD MET A 668 1.788 -5.317 -2.100 1.00 0.00 S ATOM 423 CE MET A 668 0.373 -4.393 -1.508 1.00 0.00 C ATOM 0 H MET A 668 4.070 -2.897 -4.354 1.00 0.00 H new ATOM 0 HA MET A 668 2.716 -4.100 -6.651 1.00 0.00 H new ATOM 0 HB2 MET A 668 0.880 -4.119 -4.688 1.00 0.00 H new ATOM 0 HB3 MET A 668 2.054 -5.393 -4.953 1.00 0.00 H new ATOM 0 HG2 MET A 668 3.568 -4.239 -3.288 1.00 0.00 H new ATOM 0 HG3 MET A 668 2.258 -3.125 -2.949 1.00 0.00 H new ATOM 0 HE1 MET A 668 -0.289 -5.057 -0.953 1.00 0.00 H new ATOM 0 HE2 MET A 668 0.711 -3.589 -0.855 1.00 0.00 H new ATOM 0 HE3 MET A 668 -0.166 -3.970 -2.356 1.00 0.00 H new ATOM 433 N ASP A 669 1.309 -2.170 -7.278 1.00 0.00 N ATOM 434 CA ASP A 669 0.557 -1.005 -7.714 1.00 0.00 C ATOM 435 C ASP A 669 -0.823 -0.994 -7.081 1.00 0.00 C ATOM 436 O ASP A 669 -1.708 -1.755 -7.478 1.00 0.00 O ATOM 437 CB ASP A 669 0.432 -0.972 -9.238 1.00 0.00 C ATOM 438 CG ASP A 669 0.309 0.443 -9.764 1.00 0.00 C ATOM 439 OD1 ASP A 669 -0.831 0.950 -9.865 1.00 0.00 O ATOM 440 OD2 ASP A 669 1.353 1.055 -10.076 1.00 0.00 O ATOM 0 H ASP A 669 1.407 -2.900 -7.984 1.00 0.00 H new ATOM 0 HA ASP A 669 1.101 -0.117 -7.393 1.00 0.00 H new ATOM 0 HB2 ASP A 669 1.304 -1.451 -9.684 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -0.440 -1.550 -9.543 1.00 0.00 H new ATOM 445 N VAL A 670 -1.006 -0.124 -6.104 1.00 0.00 N ATOM 446 CA VAL A 670 -2.263 -0.049 -5.388 1.00 0.00 C ATOM 447 C VAL A 670 -3.259 0.790 -6.167 1.00 0.00 C ATOM 448 O VAL A 670 -3.125 2.010 -6.274 1.00 0.00 O ATOM 449 CB VAL A 670 -2.087 0.544 -3.974 1.00 0.00 C ATOM 450 CG1 VAL A 670 -3.388 0.464 -3.188 1.00 0.00 C ATOM 451 CG2 VAL A 670 -0.972 -0.166 -3.222 1.00 0.00 C ATOM 0 H VAL A 670 -0.299 0.540 -5.789 1.00 0.00 H new ATOM 0 HA VAL A 670 -2.637 -1.067 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 670 -1.813 1.593 -4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -3.240 0.888 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.163 1.025 -3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -3.694 -0.578 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -0.868 0.270 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.212 -1.225 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.035 -0.053 -3.768 1.00 0.00 H new ATOM 461 N THR A 671 -4.239 0.120 -6.739 1.00 0.00 N ATOM 462 CA THR A 671 -5.282 0.788 -7.492 1.00 0.00 C ATOM 463 C THR A 671 -6.447 1.139 -6.571 1.00 0.00 C ATOM 464 O THR A 671 -7.188 0.263 -6.125 1.00 0.00 O ATOM 465 CB THR A 671 -5.762 -0.097 -8.660 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.662 -0.892 -9.133 1.00 0.00 O ATOM 467 CG2 THR A 671 -6.305 0.753 -9.801 1.00 0.00 C ATOM 0 H THR A 671 -4.335 -0.895 -6.696 1.00 0.00 H new ATOM 0 HA THR A 671 -4.876 1.709 -7.910 1.00 0.00 H new ATOM 0 HB THR A 671 -6.564 -0.742 -8.302 1.00 0.00 H new ATOM 0 HG1 THR A 671 -4.962 -1.458 -9.875 1.00 0.00 H new ATOM 0 HG21 THR A 671 -6.637 0.104 -10.612 1.00 0.00 H new ATOM 0 HG22 THR A 671 -7.146 1.347 -9.444 1.00 0.00 H new ATOM 0 HG23 THR A 671 -5.521 1.417 -10.165 1.00 0.00 H new ATOM 475 N VAL A 672 -6.577 2.421 -6.260 1.00 0.00 N ATOM 476 CA VAL A 672 -7.617 2.887 -5.355 1.00 0.00 C ATOM 477 C VAL A 672 -8.901 3.171 -6.120 1.00 0.00 C ATOM 478 O VAL A 672 -8.946 4.056 -6.976 1.00 0.00 O ATOM 479 CB VAL A 672 -7.184 4.158 -4.592 1.00 0.00 C ATOM 480 CG1 VAL A 672 -8.168 4.474 -3.474 1.00 0.00 C ATOM 481 CG2 VAL A 672 -5.774 3.997 -4.041 1.00 0.00 C ATOM 0 H VAL A 672 -5.973 3.159 -6.623 1.00 0.00 H new ATOM 0 HA VAL A 672 -7.791 2.093 -4.629 1.00 0.00 H new ATOM 0 HB VAL A 672 -7.183 4.995 -5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -7.845 5.373 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -9.159 4.637 -3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -8.205 3.639 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -5.487 4.903 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -5.745 3.148 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -5.079 3.825 -4.863 1.00 0.00 H new ATOM 491 N ILE A 673 -9.936 2.410 -5.811 1.00 0.00 N ATOM 492 CA ILE A 673 -11.226 2.569 -6.453 1.00 0.00 C ATOM 493 C ILE A 673 -12.030 3.657 -5.752 1.00 0.00 C ATOM 494 O ILE A 673 -12.434 3.504 -4.596 1.00 0.00 O ATOM 495 CB ILE A 673 -12.020 1.238 -6.442 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.524 0.315 -7.557 1.00 0.00 C ATOM 497 CG2 ILE A 673 -13.516 1.487 -6.588 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.630 -0.805 -7.068 1.00 0.00 C ATOM 0 H ILE A 673 -9.905 1.668 -5.111 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.055 2.859 -7.490 1.00 0.00 H new ATOM 0 HB ILE A 673 -11.852 0.753 -5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.384 -0.116 -8.069 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -10.980 0.908 -8.292 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.046 0.535 -6.577 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -13.864 2.106 -5.761 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -13.709 1.999 -7.531 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -10.318 -1.417 -7.914 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -9.751 -0.383 -6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.177 -1.423 -6.356 1.00 0.00 H new ATOM 510 N ASP A 674 -12.253 4.758 -6.451 1.00 0.00 N ATOM 511 CA ASP A 674 -13.048 5.850 -5.916 1.00 0.00 C ATOM 512 C ASP A 674 -14.512 5.633 -6.255 1.00 0.00 C ATOM 513 O ASP A 674 -15.062 6.291 -7.138 1.00 0.00 O ATOM 514 CB ASP A 674 -12.573 7.203 -6.464 1.00 0.00 C ATOM 515 CG ASP A 674 -11.966 7.123 -7.857 1.00 0.00 C ATOM 516 OD1 ASP A 674 -12.385 6.262 -8.659 1.00 0.00 O ATOM 517 OD2 ASP A 674 -11.061 7.933 -8.160 1.00 0.00 O ATOM 0 H ASP A 674 -11.894 4.919 -7.392 1.00 0.00 H new ATOM 0 HA ASP A 674 -12.925 5.865 -4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -13.417 7.892 -6.485 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -11.835 7.623 -5.780 1.00 0.00 H new ATOM 522 N THR A 675 -15.135 4.713 -5.516 1.00 0.00 N ATOM 523 CA THR A 675 -16.526 4.317 -5.737 1.00 0.00 C ATOM 524 C THR A 675 -16.843 4.166 -7.233 1.00 0.00 C ATOM 525 O THR A 675 -17.898 4.587 -7.711 1.00 0.00 O ATOM 526 CB THR A 675 -17.501 5.323 -5.091 1.00 0.00 C ATOM 527 OG1 THR A 675 -16.807 6.121 -4.121 1.00 0.00 O ATOM 528 CG2 THR A 675 -18.656 4.599 -4.414 1.00 0.00 C ATOM 0 H THR A 675 -14.686 4.220 -4.744 1.00 0.00 H new ATOM 0 HA THR A 675 -16.659 3.345 -5.261 1.00 0.00 H new ATOM 0 HB THR A 675 -17.901 5.963 -5.877 1.00 0.00 H new ATOM 0 HG1 THR A 675 -17.431 6.759 -3.715 1.00 0.00 H new ATOM 0 HG21 THR A 675 -19.330 5.329 -3.966 1.00 0.00 H new ATOM 0 HG22 THR A 675 -19.199 4.009 -5.153 1.00 0.00 H new ATOM 0 HG23 THR A 675 -18.267 3.940 -3.638 1.00 0.00 H new ATOM 806 N TRP A 20 -22.547 -7.470 -2.985 1.00 0.00 N ATOM 807 CA TRP A 20 -21.609 -6.438 -3.430 1.00 0.00 C ATOM 808 C TRP A 20 -20.308 -7.060 -3.935 1.00 0.00 C ATOM 809 O TRP A 20 -20.257 -7.621 -5.031 1.00 0.00 O ATOM 810 CB TRP A 20 -21.321 -5.429 -2.305 1.00 0.00 C ATOM 811 CG TRP A 20 -22.528 -5.069 -1.493 1.00 0.00 C ATOM 812 CD1 TRP A 20 -23.741 -4.651 -1.961 1.00 0.00 C ATOM 813 CD2 TRP A 20 -22.635 -5.098 -0.068 1.00 0.00 C ATOM 814 NE1 TRP A 20 -24.595 -4.424 -0.913 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.939 -4.687 0.262 1.00 0.00 C ATOM 816 CE3 TRP A 20 -21.753 -5.433 0.962 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -24.381 -4.600 1.578 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -22.194 -5.347 2.268 1.00 0.00 C ATOM 819 CH2 TRP A 20 -23.498 -4.934 2.567 1.00 0.00 C ATOM 0 HA TRP A 20 -22.076 -5.903 -4.257 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -20.560 -5.843 -1.644 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -20.904 -4.521 -2.741 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -23.991 -4.519 -3.003 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -25.562 -4.110 -0.994 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -20.745 -5.753 0.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -25.386 -4.280 1.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -21.521 -5.603 3.073 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -23.812 -4.878 3.599 1.00 0.00 H new ATOM 830 N LYS A 21 -19.267 -6.964 -3.130 1.00 0.00 N ATOM 831 CA LYS A 21 -17.973 -7.521 -3.479 1.00 0.00 C ATOM 832 C LYS A 21 -17.412 -8.303 -2.303 1.00 0.00 C ATOM 833 O LYS A 21 -17.579 -7.907 -1.149 1.00 0.00 O ATOM 834 CB LYS A 21 -17.001 -6.411 -3.883 1.00 0.00 C ATOM 835 CG LYS A 21 -16.114 -6.778 -5.062 1.00 0.00 C ATOM 836 CD LYS A 21 -16.865 -6.675 -6.379 1.00 0.00 C ATOM 837 CE LYS A 21 -16.113 -5.816 -7.381 1.00 0.00 C ATOM 838 NZ LYS A 21 -17.001 -5.333 -8.470 1.00 0.00 N ATOM 0 H LYS A 21 -19.293 -6.501 -2.221 1.00 0.00 H new ATOM 0 HA LYS A 21 -18.101 -8.193 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -17.569 -5.515 -4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.371 -6.162 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.246 -6.119 -5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.739 -7.794 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.015 -7.672 -6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.854 -6.251 -6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.670 -4.962 -6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.292 -6.391 -7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.451 -4.751 -9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.404 -6.147 -8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.770 -4.763 -8.064 1.00 0.00 H new ATOM 852 N ARG A 22 -16.752 -9.411 -2.599 1.00 0.00 N ATOM 853 CA ARG A 22 -16.188 -10.260 -1.561 1.00 0.00 C ATOM 854 C ARG A 22 -14.724 -9.909 -1.322 1.00 0.00 C ATOM 855 O ARG A 22 -13.954 -9.745 -2.271 1.00 0.00 O ATOM 856 CB ARG A 22 -16.318 -11.737 -1.949 1.00 0.00 C ATOM 857 CG ARG A 22 -16.368 -12.677 -0.758 1.00 0.00 C ATOM 858 CD ARG A 22 -17.798 -13.027 -0.390 1.00 0.00 C ATOM 859 NE ARG A 22 -17.989 -13.102 1.059 1.00 0.00 N ATOM 860 CZ ARG A 22 -19.180 -13.186 1.652 1.00 0.00 C ATOM 861 NH1 ARG A 22 -20.290 -13.203 0.922 1.00 0.00 N ATOM 862 NH2 ARG A 22 -19.260 -13.262 2.974 1.00 0.00 N ATOM 0 H ARG A 22 -16.593 -9.744 -3.550 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.744 -10.089 -0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.222 -11.869 -2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -15.476 -12.013 -2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.816 -13.588 -0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.874 -12.212 0.095 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -18.473 -12.279 -0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.065 -13.983 -0.841 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.159 -13.089 1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -20.232 -13.152 -0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -21.200 -13.267 1.379 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.410 -13.256 3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.172 -13.326 3.427 1.00 0.00 H new ATOM 876 N CYS A 23 -14.351 -9.798 -0.056 1.00 0.00 N ATOM 877 CA CYS A 23 -13.002 -9.410 0.312 1.00 0.00 C ATOM 878 C CYS A 23 -12.047 -10.595 0.275 1.00 0.00 C ATOM 879 O CYS A 23 -12.448 -11.752 0.437 1.00 0.00 O ATOM 880 CB CYS A 23 -13.002 -8.789 1.710 1.00 0.00 C ATOM 881 SG CYS A 23 -11.378 -8.169 2.254 1.00 0.00 S ATOM 0 H CYS A 23 -14.969 -9.973 0.736 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.656 -8.677 -0.417 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.717 -7.967 1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.352 -9.533 2.425 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.061 -7.115 1.561 1.00 0.00 H new ATOM 886 N ALA A 24 -10.780 -10.290 0.062 1.00 0.00 N ATOM 887 CA ALA A 24 -9.732 -11.288 0.102 1.00 0.00 C ATOM 888 C ALA A 24 -8.966 -11.187 1.415 1.00 0.00 C ATOM 889 O ALA A 24 -8.073 -11.986 1.694 1.00 0.00 O ATOM 890 CB ALA A 24 -8.791 -11.113 -1.075 1.00 0.00 C ATOM 0 H ALA A 24 -10.451 -9.346 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.185 -12.277 0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.009 -11.871 -1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.348 -11.221 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.339 -10.122 -1.035 1.00 0.00 H new ATOM 896 N GLY A 25 -9.328 -10.201 2.220 1.00 0.00 N ATOM 897 CA GLY A 25 -8.669 -9.989 3.491 1.00 0.00 C ATOM 898 C GLY A 25 -9.426 -10.609 4.648 1.00 0.00 C ATOM 899 O GLY A 25 -8.874 -11.423 5.392 1.00 0.00 O ATOM 0 H GLY A 25 -10.074 -9.537 2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.665 -10.411 3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.559 -8.919 3.665 1.00 0.00 H new ATOM 903 N CYS A 26 -10.694 -10.244 4.798 1.00 0.00 N ATOM 904 CA CYS A 26 -11.487 -10.749 5.909 1.00 0.00 C ATOM 905 C CYS A 26 -12.398 -11.871 5.437 1.00 0.00 C ATOM 906 O CYS A 26 -12.752 -12.766 6.208 1.00 0.00 O ATOM 907 CB CYS A 26 -12.297 -9.628 6.589 1.00 0.00 C ATOM 908 SG CYS A 26 -13.208 -8.515 5.463 1.00 0.00 S ATOM 0 H CYS A 26 -11.189 -9.608 4.172 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.801 -11.147 6.657 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.011 -10.085 7.274 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.616 -9.027 7.192 1.00 0.00 H new ATOM 0 HG CYS A 26 -12.525 -8.351 4.369 1.00 0.00 H new ATOM 913 N GLY A 27 -12.767 -11.817 4.166 1.00 0.00 N ATOM 914 CA GLY A 27 -13.578 -12.864 3.583 1.00 0.00 C ATOM 915 C GLY A 27 -15.035 -12.476 3.485 1.00 0.00 C ATOM 916 O GLY A 27 -15.822 -13.142 2.809 1.00 0.00 O ATOM 0 H GLY A 27 -12.518 -11.063 3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.200 -13.101 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.485 -13.769 4.184 1.00 0.00 H new ATOM 920 N GLY A 28 -15.397 -11.394 4.156 1.00 0.00 N ATOM 921 CA GLY A 28 -16.769 -10.941 4.141 1.00 0.00 C ATOM 922 C GLY A 28 -17.076 -10.123 2.908 1.00 0.00 C ATOM 923 O GLY A 28 -16.403 -10.248 1.884 1.00 0.00 O ATOM 0 H GLY A 28 -14.762 -10.821 4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.437 -11.802 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.964 -10.344 5.032 1.00 0.00 H new ATOM 927 N LYS A 29 -18.094 -9.292 2.997 1.00 0.00 N ATOM 928 CA LYS A 29 -18.441 -8.407 1.900 1.00 0.00 C ATOM 929 C LYS A 29 -17.895 -7.019 2.183 1.00 0.00 C ATOM 930 O LYS A 29 -17.986 -6.532 3.312 1.00 0.00 O ATOM 931 CB LYS A 29 -19.959 -8.347 1.702 1.00 0.00 C ATOM 932 CG LYS A 29 -20.757 -8.999 2.820 1.00 0.00 C ATOM 933 CD LYS A 29 -22.189 -9.265 2.394 1.00 0.00 C ATOM 934 CE LYS A 29 -23.185 -8.679 3.383 1.00 0.00 C ATOM 935 NZ LYS A 29 -24.569 -9.155 3.129 1.00 0.00 N ATOM 0 H LYS A 29 -18.696 -9.210 3.816 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.998 -8.795 0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -20.262 -7.304 1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -20.211 -8.833 0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -20.282 -9.936 3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -20.751 -8.353 3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -22.361 -8.837 1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -22.350 -10.340 2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -22.890 -8.948 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -23.159 -7.591 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -25.215 -8.731 3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -24.862 -8.876 2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.601 -10.191 3.213 1.00 0.00 H new ATOM 949 N ILE A 30 -17.310 -6.395 1.172 1.00 0.00 N ATOM 950 CA ILE A 30 -16.754 -5.061 1.328 1.00 0.00 C ATOM 951 C ILE A 30 -17.875 -4.039 1.457 1.00 0.00 C ATOM 952 O ILE A 30 -18.591 -3.755 0.496 1.00 0.00 O ATOM 953 CB ILE A 30 -15.828 -4.685 0.148 1.00 0.00 C ATOM 954 CG1 ILE A 30 -14.610 -5.610 0.119 1.00 0.00 C ATOM 955 CG2 ILE A 30 -15.380 -3.231 0.251 1.00 0.00 C ATOM 956 CD1 ILE A 30 -14.259 -6.111 -1.262 1.00 0.00 C ATOM 0 H ILE A 30 -17.208 -6.790 0.237 1.00 0.00 H new ATOM 0 HA ILE A 30 -16.152 -5.057 2.237 1.00 0.00 H new ATOM 0 HB ILE A 30 -16.389 -4.806 -0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.752 -5.079 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.799 -6.465 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.730 -2.990 -0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -16.253 -2.579 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.836 -3.083 1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -13.386 -6.760 -1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.100 -6.671 -1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.037 -5.264 -1.911 1.00 0.00 H new ATOM 968 N ALA A 31 -18.027 -3.507 2.658 1.00 0.00 N ATOM 969 CA ALA A 31 -19.064 -2.533 2.939 1.00 0.00 C ATOM 970 C ALA A 31 -18.455 -1.247 3.459 1.00 0.00 C ATOM 971 O ALA A 31 -19.151 -0.403 4.024 1.00 0.00 O ATOM 972 CB ALA A 31 -20.061 -3.094 3.941 1.00 0.00 C ATOM 0 H ALA A 31 -17.439 -3.737 3.459 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.593 -2.313 2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.833 -2.351 4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.521 -3.994 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.545 -3.340 4.869 1.00 0.00 H new ATOM 978 N ASP A 32 -17.148 -1.114 3.273 1.00 0.00 N ATOM 979 CA ASP A 32 -16.437 0.090 3.689 1.00 0.00 C ATOM 980 C ASP A 32 -16.893 1.283 2.851 1.00 0.00 C ATOM 981 O ASP A 32 -17.869 1.957 3.186 1.00 0.00 O ATOM 982 CB ASP A 32 -14.923 -0.103 3.548 1.00 0.00 C ATOM 983 CG ASP A 32 -14.256 -0.547 4.839 1.00 0.00 C ATOM 984 OD1 ASP A 32 -14.970 -0.952 5.782 1.00 0.00 O ATOM 985 OD2 ASP A 32 -13.008 -0.520 4.903 1.00 0.00 O ATOM 0 H ASP A 32 -16.559 -1.823 2.837 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.666 0.283 4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.728 -0.843 2.772 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.473 0.833 3.217 1.00 0.00 H new ATOM 990 N ARG A 33 -16.185 1.527 1.757 1.00 0.00 N ATOM 991 CA ARG A 33 -16.545 2.580 0.814 1.00 0.00 C ATOM 992 C ARG A 33 -15.590 2.556 -0.362 1.00 0.00 C ATOM 993 O ARG A 33 -16.005 2.462 -1.517 1.00 0.00 O ATOM 994 CB ARG A 33 -16.515 3.961 1.477 1.00 0.00 C ATOM 995 CG ARG A 33 -17.483 4.953 0.854 1.00 0.00 C ATOM 996 CD ARG A 33 -17.831 6.064 1.827 1.00 0.00 C ATOM 997 NE ARG A 33 -18.538 7.167 1.179 1.00 0.00 N ATOM 998 CZ ARG A 33 -18.488 8.430 1.599 1.00 0.00 C ATOM 999 NH1 ARG A 33 -17.790 8.747 2.687 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -19.138 9.380 0.935 1.00 0.00 N ATOM 0 H ARG A 33 -15.349 1.004 1.498 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.563 2.394 0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.750 3.852 2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.504 4.364 1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -17.041 5.380 -0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -18.392 4.435 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.449 5.661 2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.917 6.441 2.287 1.00 0.00 H new ATOM 0 HE ARG A 33 -19.103 6.957 0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.291 8.022 3.202 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.754 9.715 3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -19.677 9.143 0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -19.098 10.347 1.258 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.307 2.628 -0.060 1.00 0.00 N ATOM 1015 CA PHE A 34 -13.289 2.623 -1.090 1.00 0.00 C ATOM 1016 C PHE A 34 -12.678 1.237 -1.236 1.00 0.00 C ATOM 1017 O PHE A 34 -12.318 0.595 -0.246 1.00 0.00 O ATOM 1018 CB PHE A 34 -12.212 3.659 -0.773 1.00 0.00 C ATOM 1019 CG PHE A 34 -12.439 4.969 -1.466 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -13.674 5.600 -1.397 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -11.427 5.561 -2.197 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -13.889 6.799 -2.042 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -11.638 6.760 -2.850 1.00 0.00 C ATOM 1024 CZ PHE A 34 -12.871 7.379 -2.772 1.00 0.00 C ATOM 0 H PHE A 34 -13.946 2.691 0.892 1.00 0.00 H new ATOM 0 HA PHE A 34 -13.755 2.887 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.180 3.824 0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.239 3.264 -1.064 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.475 5.146 -0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.461 5.082 -2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.852 7.284 -1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.841 7.213 -3.421 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.038 8.316 -3.282 1.00 0.00 H new ATOM 1034 N LEU A 35 -12.590 0.775 -2.472 1.00 0.00 N ATOM 1035 CA LEU A 35 -12.000 -0.517 -2.764 1.00 0.00 C ATOM 1036 C LEU A 35 -10.535 -0.341 -3.124 1.00 0.00 C ATOM 1037 O LEU A 35 -10.164 0.627 -3.787 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.749 -1.198 -3.911 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.819 -2.205 -3.484 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -15.149 -1.887 -4.150 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -13.378 -3.620 -3.818 1.00 0.00 C ATOM 0 H LEU A 35 -12.923 1.281 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.077 -1.150 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.220 -0.429 -4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.024 -1.709 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.952 -2.131 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.897 -2.614 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -15.471 -0.886 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.034 -1.932 -5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.150 -4.324 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.218 -3.707 -4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.450 -3.845 -3.293 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.707 -1.266 -2.682 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.279 -1.165 -2.905 1.00 0.00 C ATOM 1055 C LEU A 36 -7.750 -2.392 -3.633 1.00 0.00 C ATOM 1056 O LEU A 36 -8.304 -3.483 -3.519 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.555 -0.967 -1.572 1.00 0.00 C ATOM 1058 CG LEU A 36 -8.089 0.189 -0.718 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -7.509 0.133 0.685 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -7.778 1.529 -1.371 1.00 0.00 C ATOM 0 H LEU A 36 -9.999 -2.096 -2.166 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.088 -0.299 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.625 -1.889 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.497 -0.795 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.172 0.086 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.901 0.962 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.787 -0.810 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.423 0.207 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.166 2.336 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.699 1.640 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.247 1.572 -2.354 1.00 0.00 H new ATOM 1072 N TYR A 37 -6.686 -2.196 -4.395 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.069 -3.272 -5.153 1.00 0.00 C ATOM 1074 C TYR A 37 -4.630 -3.475 -4.701 1.00 0.00 C ATOM 1075 O TYR A 37 -3.766 -2.661 -5.008 1.00 0.00 O ATOM 1076 CB TYR A 37 -6.086 -2.937 -6.645 1.00 0.00 C ATOM 1077 CG TYR A 37 -7.024 -3.786 -7.470 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -6.751 -5.123 -7.719 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -8.178 -3.239 -8.011 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -7.604 -5.891 -8.487 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -9.036 -4.000 -8.776 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.746 -5.327 -9.012 1.00 0.00 C ATOM 1083 OH TYR A 37 -9.596 -6.091 -9.781 1.00 0.00 O ATOM 0 H TYR A 37 -6.228 -1.291 -4.505 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.634 -4.188 -4.979 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.364 -1.890 -6.766 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.076 -3.046 -7.040 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.859 -5.570 -7.306 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.408 -2.199 -7.830 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.377 -6.930 -8.675 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.931 -3.559 -9.189 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.446 -6.212 -9.308 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.381 -4.543 -3.958 1.00 0.00 N ATOM 1094 CA ALA A 38 -3.025 -4.856 -3.517 1.00 0.00 C ATOM 1095 C ALA A 38 -2.225 -5.501 -4.639 1.00 0.00 C ATOM 1096 O ALA A 38 -1.069 -5.164 -4.867 1.00 0.00 O ATOM 1097 CB ALA A 38 -3.053 -5.780 -2.315 1.00 0.00 C ATOM 0 H ALA A 38 -5.093 -5.205 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.543 -3.920 -3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.033 -6.001 -2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.587 -5.297 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.560 -6.708 -2.581 1.00 0.00 H new ATOM 1103 N MET A 39 -2.850 -6.441 -5.331 1.00 0.00 N ATOM 1104 CA MET A 39 -2.180 -7.171 -6.395 1.00 0.00 C ATOM 1105 C MET A 39 -3.177 -7.556 -7.480 1.00 0.00 C ATOM 1106 O MET A 39 -3.073 -7.100 -8.616 1.00 0.00 O ATOM 1107 CB MET A 39 -1.493 -8.421 -5.835 1.00 0.00 C ATOM 1108 CG MET A 39 0.028 -8.339 -5.843 1.00 0.00 C ATOM 1109 SD MET A 39 0.802 -9.596 -4.805 1.00 0.00 S ATOM 1110 CE MET A 39 1.441 -8.582 -3.472 1.00 0.00 C ATOM 0 H MET A 39 -3.820 -6.716 -5.175 1.00 0.00 H new ATOM 0 HA MET A 39 -1.419 -6.525 -6.834 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.834 -8.585 -4.813 1.00 0.00 H new ATOM 0 HB3 MET A 39 -1.804 -9.288 -6.418 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.388 -8.448 -6.866 1.00 0.00 H new ATOM 0 HG3 MET A 39 0.336 -7.351 -5.500 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.950 -9.215 -2.745 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.145 -7.854 -3.874 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.617 -8.060 -2.985 1.00 0.00 H new ATOM 1120 N ASP A 40 -4.137 -8.402 -7.128 1.00 0.00 N ATOM 1121 CA ASP A 40 -5.189 -8.789 -8.066 1.00 0.00 C ATOM 1122 C ASP A 40 -6.515 -9.018 -7.344 1.00 0.00 C ATOM 1123 O ASP A 40 -7.554 -9.208 -7.979 1.00 0.00 O ATOM 1124 CB ASP A 40 -4.785 -10.055 -8.830 1.00 0.00 C ATOM 1125 CG ASP A 40 -5.635 -10.292 -10.069 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -5.756 -9.371 -10.906 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -6.186 -11.403 -10.209 1.00 0.00 O ATOM 0 H ASP A 40 -4.211 -8.832 -6.206 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.321 -7.971 -8.775 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.738 -9.979 -9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.869 -10.916 -8.167 1.00 0.00 H new ATOM 1132 N SER A 41 -6.485 -9.001 -6.017 1.00 0.00 N ATOM 1133 CA SER A 41 -7.683 -9.234 -5.230 1.00 0.00 C ATOM 1134 C SER A 41 -8.366 -7.916 -4.868 1.00 0.00 C ATOM 1135 O SER A 41 -7.806 -6.838 -5.081 1.00 0.00 O ATOM 1136 CB SER A 41 -7.299 -10.005 -3.975 1.00 0.00 C ATOM 1137 OG SER A 41 -5.892 -10.205 -3.931 1.00 0.00 O ATOM 0 H SER A 41 -5.644 -8.828 -5.467 1.00 0.00 H new ATOM 0 HA SER A 41 -8.394 -9.817 -5.816 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.623 -9.458 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.811 -10.967 -3.960 1.00 0.00 H new ATOM 0 HG SER A 41 -5.472 -9.469 -3.438 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.572 -8.010 -4.329 1.00 0.00 N ATOM 1144 CA TYR A 42 -10.328 -6.837 -3.910 1.00 0.00 C ATOM 1145 C TYR A 42 -10.189 -6.628 -2.407 1.00 0.00 C ATOM 1146 O TYR A 42 -10.331 -7.572 -1.627 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.805 -6.995 -4.275 1.00 0.00 C ATOM 1148 CG TYR A 42 -12.065 -7.054 -5.762 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -12.065 -5.899 -6.533 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.309 -8.265 -6.394 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -12.296 -5.951 -7.894 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -12.542 -8.327 -7.754 1.00 0.00 C ATOM 1153 CZ TYR A 42 -12.536 -7.166 -8.498 1.00 0.00 C ATOM 1154 OH TYR A 42 -12.761 -7.224 -9.855 1.00 0.00 O ATOM 0 H TYR A 42 -10.053 -8.895 -4.170 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.927 -5.967 -4.429 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -12.188 -7.905 -3.813 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -12.365 -6.162 -3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.882 -4.945 -6.061 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.317 -9.175 -5.812 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -12.289 -5.045 -8.481 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.728 -9.278 -8.231 1.00 0.00 H new ATOM 0 HH TYR A 42 -12.912 -8.155 -10.122 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.900 -5.396 -2.007 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.716 -5.071 -0.598 1.00 0.00 C ATOM 1166 C TRP A 43 -10.434 -3.776 -0.244 1.00 0.00 C ATOM 1167 O TRP A 43 -11.012 -3.117 -1.107 1.00 0.00 O ATOM 1168 CB TRP A 43 -8.224 -4.930 -0.250 1.00 0.00 C ATOM 1169 CG TRP A 43 -7.337 -5.927 -0.935 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.940 -5.907 -2.239 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -6.725 -7.082 -0.348 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -6.145 -6.990 -2.509 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.992 -7.722 -1.365 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -6.726 -7.641 0.933 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -5.273 -8.889 -1.145 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -6.008 -8.803 1.150 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -5.289 -9.414 0.112 1.00 0.00 C ATOM 0 H TRP A 43 -9.788 -4.604 -2.640 1.00 0.00 H new ATOM 0 HA TRP A 43 -10.140 -5.891 -0.019 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.894 -3.925 -0.514 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.102 -5.033 0.828 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.213 -5.147 -2.956 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.734 -7.213 -3.416 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.276 -7.175 1.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.720 -9.364 -1.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -6.001 -9.247 2.134 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.736 -10.320 0.314 1.00 0.00 H new ATOM 1188 N HIS A 44 -10.384 -3.425 1.032 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.932 -2.169 1.535 1.00 0.00 C ATOM 1190 C HIS A 44 -9.964 -1.597 2.564 1.00 0.00 C ATOM 1191 O HIS A 44 -8.936 -2.217 2.858 1.00 0.00 O ATOM 1192 CB HIS A 44 -12.347 -2.347 2.147 1.00 0.00 C ATOM 1193 CG HIS A 44 -12.471 -3.514 3.084 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -13.088 -3.479 4.331 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.975 -4.757 2.956 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.922 -4.693 4.897 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -12.253 -5.477 4.089 1.00 0.00 N ATOM 0 H HIS A 44 -9.959 -4.006 1.755 1.00 0.00 H new ATOM 0 HA HIS A 44 -11.046 -1.478 0.700 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.616 -1.436 2.682 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -13.068 -2.467 1.338 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.441 -5.130 2.095 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -13.287 -4.976 5.873 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -11.988 -6.445 4.269 1.00 0.00 H new ATOM 1205 N SER A 45 -10.305 -0.446 3.120 1.00 0.00 N ATOM 1206 CA SER A 45 -9.405 0.319 3.978 1.00 0.00 C ATOM 1207 C SER A 45 -8.826 -0.500 5.142 1.00 0.00 C ATOM 1208 O SER A 45 -7.641 -0.378 5.460 1.00 0.00 O ATOM 1209 CB SER A 45 -10.163 1.530 4.517 1.00 0.00 C ATOM 1210 OG SER A 45 -11.501 1.542 4.029 1.00 0.00 O ATOM 0 H SER A 45 -11.218 -0.011 2.990 1.00 0.00 H new ATOM 0 HA SER A 45 -8.552 0.625 3.372 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.168 1.507 5.607 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.654 2.447 4.220 1.00 0.00 H new ATOM 0 HG SER A 45 -12.012 0.824 4.458 1.00 0.00 H new ATOM 1216 N ARG A 46 -9.645 -1.342 5.757 1.00 0.00 N ATOM 1217 CA ARG A 46 -9.244 -2.017 6.992 1.00 0.00 C ATOM 1218 C ARG A 46 -8.501 -3.336 6.749 1.00 0.00 C ATOM 1219 O ARG A 46 -7.915 -3.891 7.678 1.00 0.00 O ATOM 1220 CB ARG A 46 -10.466 -2.247 7.891 1.00 0.00 C ATOM 1221 CG ARG A 46 -11.202 -3.549 7.625 1.00 0.00 C ATOM 1222 CD ARG A 46 -11.525 -4.276 8.919 1.00 0.00 C ATOM 1223 NE ARG A 46 -12.961 -4.479 9.091 1.00 0.00 N ATOM 1224 CZ ARG A 46 -13.496 -5.185 10.086 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -12.710 -5.750 10.998 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -14.812 -5.328 10.173 1.00 0.00 N ATOM 0 H ARG A 46 -10.582 -1.575 5.429 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.538 -1.355 7.494 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.144 -2.231 8.932 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.160 -1.417 7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.124 -3.343 7.081 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.593 -4.190 6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.019 -5.241 8.928 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.136 -3.705 9.762 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.591 -4.056 8.410 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.698 -5.643 10.936 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.120 -6.291 11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.419 -4.896 9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.217 -5.870 10.937 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.522 -3.853 5.529 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.799 -5.088 5.243 1.00 0.00 C ATOM 1242 C CYS A 47 -6.480 -4.811 4.533 1.00 0.00 C ATOM 1243 O CYS A 47 -5.484 -5.493 4.775 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.654 -6.047 4.420 1.00 0.00 C ATOM 1245 SG CYS A 47 -9.681 -7.175 5.420 1.00 0.00 S ATOM 0 H CYS A 47 -9.019 -3.449 4.735 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.575 -5.560 6.199 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.303 -5.467 3.765 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.001 -6.639 3.779 1.00 0.00 H new ATOM 0 HG CYS A 47 -10.558 -7.755 4.656 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.475 -3.808 3.664 1.00 0.00 N ATOM 1251 CA LEU A 48 -5.282 -3.465 2.911 1.00 0.00 C ATOM 1252 C LEU A 48 -4.298 -2.686 3.775 1.00 0.00 C ATOM 1253 O LEU A 48 -4.133 -1.471 3.626 1.00 0.00 O ATOM 1254 CB LEU A 48 -5.660 -2.662 1.669 1.00 0.00 C ATOM 1255 CG LEU A 48 -5.089 -3.175 0.344 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -4.155 -2.142 -0.249 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -4.364 -4.500 0.530 1.00 0.00 C ATOM 0 H LEU A 48 -7.284 -3.220 3.465 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.794 -4.388 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.747 -2.641 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.330 -1.633 1.811 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.919 -3.344 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.753 -2.514 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.702 -1.217 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.336 -1.951 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.970 -4.837 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.542 -4.369 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.060 -5.244 0.918 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.657 -3.402 4.682 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.714 -2.815 5.619 1.00 0.00 C ATOM 1271 C LYS A 49 -1.431 -3.639 5.653 1.00 0.00 C ATOM 1272 O LYS A 49 -1.403 -4.762 5.149 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.336 -2.757 7.025 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.826 -2.447 7.034 1.00 0.00 C ATOM 1275 CD LYS A 49 -5.185 -1.434 8.109 1.00 0.00 C ATOM 1276 CE LYS A 49 -6.019 -2.062 9.213 1.00 0.00 C ATOM 1277 NZ LYS A 49 -6.133 -1.185 10.408 1.00 0.00 N ATOM 0 H LYS A 49 -3.776 -4.409 4.790 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.477 -1.802 5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.172 -3.713 7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.815 -1.999 7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.123 -2.062 6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.388 -3.366 7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.273 -1.015 8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.736 -0.607 7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.016 -2.282 8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.573 -3.013 9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.623 -1.697 11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.183 -0.913 10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.673 -0.331 10.162 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.367 -3.077 6.230 1.00 0.00 N ATOM 1292 CA CYS A 50 0.865 -3.830 6.435 1.00 0.00 C ATOM 1293 C CYS A 50 0.568 -5.041 7.307 1.00 0.00 C ATOM 1294 O CYS A 50 -0.156 -4.935 8.297 1.00 0.00 O ATOM 1295 CB CYS A 50 1.950 -2.959 7.100 1.00 0.00 C ATOM 1296 SG CYS A 50 3.551 -3.810 7.345 1.00 0.00 S ATOM 0 H CYS A 50 -0.336 -2.112 6.560 1.00 0.00 H new ATOM 0 HA CYS A 50 1.243 -4.151 5.464 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.113 -2.072 6.488 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.582 -2.616 8.067 1.00 0.00 H new ATOM 0 HG CYS A 50 4.518 -2.943 7.280 1.00 0.00 H new ATOM 1301 N SER A 51 1.121 -6.188 6.951 1.00 0.00 N ATOM 1302 CA SER A 51 0.915 -7.393 7.738 1.00 0.00 C ATOM 1303 C SER A 51 1.789 -7.366 8.992 1.00 0.00 C ATOM 1304 O SER A 51 1.765 -8.289 9.809 1.00 0.00 O ATOM 1305 CB SER A 51 1.216 -8.630 6.891 1.00 0.00 C ATOM 1306 OG SER A 51 0.563 -8.548 5.632 1.00 0.00 O ATOM 0 H SER A 51 1.712 -6.311 6.129 1.00 0.00 H new ATOM 0 HA SER A 51 -0.128 -7.436 8.053 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.292 -8.722 6.743 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.889 -9.526 7.418 1.00 0.00 H new ATOM 0 HG SER A 51 1.094 -7.993 5.023 1.00 0.00 H new ATOM 1312 N SER A 52 2.551 -6.294 9.140 1.00 0.00 N ATOM 1313 CA SER A 52 3.413 -6.122 10.290 1.00 0.00 C ATOM 1314 C SER A 52 3.005 -4.888 11.101 1.00 0.00 C ATOM 1315 O SER A 52 3.079 -4.897 12.329 1.00 0.00 O ATOM 1316 CB SER A 52 4.857 -5.993 9.823 1.00 0.00 C ATOM 1317 OG SER A 52 4.971 -6.299 8.439 1.00 0.00 O ATOM 0 H SER A 52 2.587 -5.526 8.470 1.00 0.00 H new ATOM 0 HA SER A 52 3.316 -6.994 10.936 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.214 -4.979 10.006 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.492 -6.664 10.402 1.00 0.00 H new ATOM 0 HG SER A 52 4.641 -5.544 7.909 1.00 0.00 H new ATOM 1323 N CYS A 53 2.582 -3.830 10.409 1.00 0.00 N ATOM 1324 CA CYS A 53 2.178 -2.591 11.069 1.00 0.00 C ATOM 1325 C CYS A 53 0.668 -2.531 11.276 1.00 0.00 C ATOM 1326 O CYS A 53 0.182 -1.927 12.234 1.00 0.00 O ATOM 1327 CB CYS A 53 2.613 -1.389 10.230 1.00 0.00 C ATOM 1328 SG CYS A 53 4.413 -1.192 10.090 1.00 0.00 S ATOM 0 H CYS A 53 2.511 -3.807 9.392 1.00 0.00 H new ATOM 0 HA CYS A 53 2.662 -2.565 12.045 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.190 -1.486 9.230 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.192 -0.483 10.667 1.00 0.00 H new ATOM 0 HG CYS A 53 4.935 -2.288 9.625 1.00 0.00 H new ATOM 1333 N GLN A 54 -0.060 -3.155 10.356 1.00 0.00 N ATOM 1334 CA GLN A 54 -1.515 -3.052 10.293 1.00 0.00 C ATOM 1335 C GLN A 54 -1.927 -1.612 10.001 1.00 0.00 C ATOM 1336 O GLN A 54 -3.036 -1.186 10.326 1.00 0.00 O ATOM 1337 CB GLN A 54 -2.178 -3.572 11.574 1.00 0.00 C ATOM 1338 CG GLN A 54 -2.458 -5.065 11.534 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.900 -5.387 11.181 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -4.338 -4.995 9.987 1.00 0.00 O flip ATOM 1341 NE2 GLN A 54 -4.621 -5.990 11.972 1.00 0.00 N flip ATOM 0 H GLN A 54 0.343 -3.748 9.631 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.864 -3.686 9.478 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.534 -3.351 12.425 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.114 -3.037 11.735 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.797 -5.534 10.805 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.221 -5.500 12.505 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.254 -6.277 12.880 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.586 -6.204 11.721 1.00 0.00 H new ATOM 1350 N ALA A 55 -1.012 -0.873 9.383 1.00 0.00 N ATOM 1351 CA ALA A 55 -1.291 0.474 8.914 1.00 0.00 C ATOM 1352 C ALA A 55 -1.908 0.406 7.526 1.00 0.00 C ATOM 1353 O ALA A 55 -1.428 -0.340 6.674 1.00 0.00 O ATOM 1354 CB ALA A 55 -0.015 1.303 8.887 1.00 0.00 C ATOM 0 H ALA A 55 -0.061 -1.191 9.195 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.993 0.953 9.597 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.242 2.309 8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.405 1.358 9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.707 0.837 8.217 1.00 0.00 H new ATOM 1360 N GLN A 56 -2.970 1.174 7.307 1.00 0.00 N ATOM 1361 CA GLN A 56 -3.711 1.130 6.045 1.00 0.00 C ATOM 1362 C GLN A 56 -2.859 1.631 4.884 1.00 0.00 C ATOM 1363 O GLN A 56 -2.816 2.829 4.604 1.00 0.00 O ATOM 1364 CB GLN A 56 -4.995 1.964 6.146 1.00 0.00 C ATOM 1365 CG GLN A 56 -5.484 2.184 7.569 1.00 0.00 C ATOM 1366 CD GLN A 56 -6.996 2.250 7.661 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -7.608 1.601 8.509 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -7.608 3.033 6.787 1.00 0.00 N ATOM 0 H GLN A 56 -3.340 1.837 7.988 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.974 0.090 5.853 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.823 2.934 5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.782 1.470 5.575 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.120 1.376 8.204 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.059 3.110 7.956 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.063 3.554 6.100 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.625 3.115 6.800 1.00 0.00 H new ATOM 1377 N LEU A 57 -2.199 0.701 4.205 1.00 0.00 N ATOM 1378 CA LEU A 57 -1.330 1.032 3.081 1.00 0.00 C ATOM 1379 C LEU A 57 -2.148 1.524 1.897 1.00 0.00 C ATOM 1380 O LEU A 57 -1.629 2.201 1.015 1.00 0.00 O ATOM 1381 CB LEU A 57 -0.503 -0.186 2.668 1.00 0.00 C ATOM 1382 CG LEU A 57 0.666 -0.528 3.595 1.00 0.00 C ATOM 1383 CD1 LEU A 57 1.278 -1.862 3.205 1.00 0.00 C ATOM 1384 CD2 LEU A 57 1.722 0.569 3.556 1.00 0.00 C ATOM 0 H LEU A 57 -2.249 -0.296 4.415 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.656 1.828 3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.164 -1.051 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.112 -0.016 1.665 1.00 0.00 H new ATOM 0 HG LEU A 57 0.285 -0.603 4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.108 -2.091 3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.523 -2.645 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.643 -1.809 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.544 0.306 4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.099 0.675 2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.280 1.511 3.880 1.00 0.00 H new ATOM 1396 N GLY A 58 -3.429 1.175 1.886 1.00 0.00 N ATOM 1397 CA GLY A 58 -4.306 1.601 0.816 1.00 0.00 C ATOM 1398 C GLY A 58 -4.928 2.958 1.080 1.00 0.00 C ATOM 1399 O GLY A 58 -5.655 3.491 0.245 1.00 0.00 O ATOM 0 H GLY A 58 -3.876 0.603 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.744 1.638 -0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.096 0.862 0.683 1.00 0.00 H new ATOM 1403 N ASP A 59 -4.655 3.516 2.253 1.00 0.00 N ATOM 1404 CA ASP A 59 -5.161 4.840 2.602 1.00 0.00 C ATOM 1405 C ASP A 59 -4.074 5.872 2.406 1.00 0.00 C ATOM 1406 O ASP A 59 -4.246 7.062 2.671 1.00 0.00 O ATOM 1407 CB ASP A 59 -5.666 4.858 4.044 1.00 0.00 C ATOM 1408 CG ASP A 59 -6.915 5.697 4.221 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -8.009 5.224 3.854 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -6.810 6.820 4.750 1.00 0.00 O ATOM 0 H ASP A 59 -4.088 3.075 2.977 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.998 5.082 1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.872 3.837 4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.880 5.243 4.694 1.00 0.00 H new ATOM 1415 N ILE A 60 -2.958 5.387 1.920 1.00 0.00 N ATOM 1416 CA ILE A 60 -1.806 6.206 1.635 1.00 0.00 C ATOM 1417 C ILE A 60 -1.300 5.860 0.246 1.00 0.00 C ATOM 1418 O ILE A 60 -1.411 4.715 -0.193 1.00 0.00 O ATOM 1419 CB ILE A 60 -0.673 5.977 2.665 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -1.235 5.825 4.082 1.00 0.00 C ATOM 1421 CG2 ILE A 60 0.332 7.117 2.617 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -0.303 5.102 5.031 1.00 0.00 C ATOM 0 H ILE A 60 -2.823 4.398 1.708 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.101 7.254 1.693 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.165 5.050 2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.454 6.814 4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.180 5.284 4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.121 6.938 3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.768 7.176 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.171 8.056 2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.768 5.032 6.014 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.103 4.100 4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.634 5.653 5.111 1.00 0.00 H new ATOM 1434 N GLY A 61 -0.783 6.847 -0.459 1.00 0.00 N ATOM 1435 CA GLY A 61 -0.146 6.596 -1.738 1.00 0.00 C ATOM 1436 C GLY A 61 1.209 5.937 -1.565 1.00 0.00 C ATOM 1437 O GLY A 61 2.234 6.462 -2.007 1.00 0.00 O ATOM 0 H GLY A 61 -0.791 7.825 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.787 5.958 -2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.028 7.536 -2.278 1.00 0.00 H new ATOM 1441 N THR A 62 1.207 4.786 -0.911 1.00 0.00 N ATOM 1442 CA THR A 62 2.427 4.085 -0.565 1.00 0.00 C ATOM 1443 C THR A 62 2.736 2.981 -1.564 1.00 0.00 C ATOM 1444 O THR A 62 1.982 2.015 -1.696 1.00 0.00 O ATOM 1445 CB THR A 62 2.324 3.466 0.842 1.00 0.00 C ATOM 1446 OG1 THR A 62 1.003 3.660 1.367 1.00 0.00 O ATOM 1447 CG2 THR A 62 3.343 4.090 1.782 1.00 0.00 C ATOM 0 H THR A 62 0.356 4.313 -0.606 1.00 0.00 H new ATOM 0 HA THR A 62 3.232 4.820 -0.585 1.00 0.00 H new ATOM 0 HB THR A 62 2.531 2.399 0.762 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.405 2.969 1.012 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.252 3.638 2.770 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.348 3.918 1.395 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.161 5.162 1.856 1.00 0.00 H new ATOM 1455 N SER A 63 3.843 3.134 -2.269 1.00 0.00 N ATOM 1456 CA SER A 63 4.338 2.092 -3.147 1.00 0.00 C ATOM 1457 C SER A 63 4.966 0.977 -2.318 1.00 0.00 C ATOM 1458 O SER A 63 6.179 0.932 -2.134 1.00 0.00 O ATOM 1459 CB SER A 63 5.354 2.677 -4.131 1.00 0.00 C ATOM 1460 OG SER A 63 4.868 3.882 -4.705 1.00 0.00 O ATOM 0 H SER A 63 4.418 3.976 -2.249 1.00 0.00 H new ATOM 0 HA SER A 63 3.509 1.675 -3.719 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.296 2.868 -3.617 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.562 1.953 -4.918 1.00 0.00 H new ATOM 0 HG SER A 63 5.534 4.239 -5.329 1.00 0.00 H new ATOM 1466 N SER A 64 4.123 0.098 -1.796 1.00 0.00 N ATOM 1467 CA SER A 64 4.580 -0.995 -0.958 1.00 0.00 C ATOM 1468 C SER A 64 5.337 -2.017 -1.800 1.00 0.00 C ATOM 1469 O SER A 64 5.000 -2.249 -2.960 1.00 0.00 O ATOM 1470 CB SER A 64 3.380 -1.638 -0.246 1.00 0.00 C ATOM 1471 OG SER A 64 3.540 -3.036 -0.102 1.00 0.00 O ATOM 0 H SER A 64 3.114 0.123 -1.941 1.00 0.00 H new ATOM 0 HA SER A 64 5.263 -0.613 -0.199 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.255 -1.184 0.737 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.470 -1.433 -0.810 1.00 0.00 H new ATOM 0 HG SER A 64 3.955 -3.230 0.764 1.00 0.00 H new ATOM 1477 N TYR A 65 6.370 -2.605 -1.218 1.00 0.00 N ATOM 1478 CA TYR A 65 7.206 -3.557 -1.931 1.00 0.00 C ATOM 1479 C TYR A 65 7.033 -4.951 -1.351 1.00 0.00 C ATOM 1480 O TYR A 65 6.831 -5.109 -0.146 1.00 0.00 O ATOM 1481 CB TYR A 65 8.676 -3.136 -1.863 1.00 0.00 C ATOM 1482 CG TYR A 65 8.894 -1.663 -2.115 1.00 0.00 C ATOM 1483 CD1 TYR A 65 8.948 -1.162 -3.410 1.00 0.00 C ATOM 1484 CD2 TYR A 65 9.042 -0.773 -1.061 1.00 0.00 C ATOM 1485 CE1 TYR A 65 9.143 0.184 -3.647 1.00 0.00 C ATOM 1486 CE2 TYR A 65 9.237 0.574 -1.289 1.00 0.00 C ATOM 1487 CZ TYR A 65 9.289 1.049 -2.583 1.00 0.00 C ATOM 1488 OH TYR A 65 9.482 2.393 -2.812 1.00 0.00 O ATOM 0 H TYR A 65 6.650 -2.439 -0.251 1.00 0.00 H new ATOM 0 HA TYR A 65 6.896 -3.571 -2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.073 -3.391 -0.881 1.00 0.00 H new ATOM 0 HB3 TYR A 65 9.244 -3.710 -2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.835 -1.837 -4.245 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.004 -1.140 -0.046 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.181 0.557 -4.660 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.348 1.254 -0.457 1.00 0.00 H new ATOM 0 HH TYR A 65 9.565 2.862 -1.956 1.00 0.00 H new ATOM 1498 N THR A 66 7.116 -5.957 -2.203 1.00 0.00 N ATOM 1499 CA THR A 66 6.936 -7.326 -1.769 1.00 0.00 C ATOM 1500 C THR A 66 8.018 -8.224 -2.350 1.00 0.00 C ATOM 1501 O THR A 66 8.743 -7.834 -3.267 1.00 0.00 O ATOM 1502 CB THR A 66 5.540 -7.862 -2.154 1.00 0.00 C ATOM 1503 OG1 THR A 66 5.244 -9.048 -1.401 1.00 0.00 O ATOM 1504 CG2 THR A 66 5.450 -8.161 -3.645 1.00 0.00 C ATOM 0 H THR A 66 7.307 -5.849 -3.199 1.00 0.00 H new ATOM 0 HA THR A 66 7.016 -7.336 -0.682 1.00 0.00 H new ATOM 0 HB THR A 66 4.808 -7.089 -1.919 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.256 -8.839 -0.444 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.454 -8.536 -3.881 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.638 -7.249 -4.211 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.194 -8.912 -3.911 1.00 0.00 H new ATOM 1512 N LYS A 67 8.125 -9.425 -1.809 1.00 0.00 N ATOM 1513 CA LYS A 67 9.144 -10.367 -2.230 1.00 0.00 C ATOM 1514 C LYS A 67 8.574 -11.776 -2.270 1.00 0.00 C ATOM 1515 O LYS A 67 8.486 -12.397 -3.328 1.00 0.00 O ATOM 1516 CB LYS A 67 10.332 -10.312 -1.269 1.00 0.00 C ATOM 1517 CG LYS A 67 11.676 -10.146 -1.957 1.00 0.00 C ATOM 1518 CD LYS A 67 12.804 -10.655 -1.076 1.00 0.00 C ATOM 1519 CE LYS A 67 14.163 -10.207 -1.583 1.00 0.00 C ATOM 1520 NZ LYS A 67 14.799 -11.236 -2.446 1.00 0.00 N ATOM 0 H LYS A 67 7.512 -9.772 -1.071 1.00 0.00 H new ATOM 0 HA LYS A 67 9.481 -10.097 -3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.186 -9.485 -0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.349 -11.227 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.674 -10.689 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.840 -9.095 -2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.660 -10.295 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.772 -11.744 -1.037 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.053 -9.279 -2.145 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.814 -9.991 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.725 -10.892 -2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.927 -12.114 -1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.191 -11.424 -3.268 1.00 0.00 H new ATOM 1534 N SER A 68 8.177 -12.268 -1.111 1.00 0.00 N ATOM 1535 CA SER A 68 7.653 -13.617 -0.994 1.00 0.00 C ATOM 1536 C SER A 68 6.133 -13.610 -0.825 1.00 0.00 C ATOM 1537 O SER A 68 5.588 -14.347 -0.002 1.00 0.00 O ATOM 1538 CB SER A 68 8.328 -14.306 0.189 1.00 0.00 C ATOM 1539 OG SER A 68 9.563 -13.671 0.489 1.00 0.00 O ATOM 0 H SER A 68 8.208 -11.751 -0.233 1.00 0.00 H new ATOM 0 HA SER A 68 7.870 -14.166 -1.910 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.673 -14.273 1.060 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.498 -15.357 -0.042 1.00 0.00 H new ATOM 0 HG SER A 68 9.455 -13.104 1.281 1.00 0.00 H new ATOM 1545 N GLY A 69 5.457 -12.760 -1.600 1.00 0.00 N ATOM 1546 CA GLY A 69 4.003 -12.697 -1.561 1.00 0.00 C ATOM 1547 C GLY A 69 3.475 -12.192 -0.231 1.00 0.00 C ATOM 1548 O GLY A 69 2.364 -12.531 0.178 1.00 0.00 O ATOM 0 H GLY A 69 5.893 -12.112 -2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.650 -12.044 -2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.595 -13.689 -1.757 1.00 0.00 H new ATOM 1552 N MET A 70 4.271 -11.375 0.438 1.00 0.00 N ATOM 1553 CA MET A 70 3.909 -10.856 1.747 1.00 0.00 C ATOM 1554 C MET A 70 3.674 -9.358 1.664 1.00 0.00 C ATOM 1555 O MET A 70 4.485 -8.631 1.092 1.00 0.00 O ATOM 1556 CB MET A 70 5.015 -11.157 2.759 1.00 0.00 C ATOM 1557 CG MET A 70 4.626 -12.205 3.786 1.00 0.00 C ATOM 1558 SD MET A 70 5.364 -11.897 5.402 1.00 0.00 S ATOM 1559 CE MET A 70 6.922 -12.767 5.237 1.00 0.00 C ATOM 0 H MET A 70 5.177 -11.055 0.094 1.00 0.00 H new ATOM 0 HA MET A 70 2.991 -11.342 2.076 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.903 -11.495 2.225 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.285 -10.236 3.276 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.541 -12.227 3.884 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.934 -13.188 3.431 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.665 -12.310 5.891 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.787 -13.812 5.516 1.00 0.00 H new ATOM 0 HE3 MET A 70 7.263 -12.709 4.203 1.00 0.00 H new ATOM 1569 N ILE A 71 2.570 -8.895 2.222 1.00 0.00 N ATOM 1570 CA ILE A 71 2.247 -7.479 2.165 1.00 0.00 C ATOM 1571 C ILE A 71 2.923 -6.729 3.306 1.00 0.00 C ATOM 1572 O ILE A 71 2.532 -6.854 4.468 1.00 0.00 O ATOM 1573 CB ILE A 71 0.723 -7.236 2.223 1.00 0.00 C ATOM 1574 CG1 ILE A 71 0.002 -8.144 1.224 1.00 0.00 C ATOM 1575 CG2 ILE A 71 0.407 -5.772 1.938 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.273 -8.755 1.768 1.00 0.00 C ATOM 0 H ILE A 71 1.888 -9.471 2.715 1.00 0.00 H new ATOM 0 HA ILE A 71 2.618 -7.104 1.211 1.00 0.00 H new ATOM 0 HB ILE A 71 0.370 -7.476 3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.234 -7.569 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.677 -8.944 0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.671 -5.617 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.895 -5.143 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.771 -5.508 0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.729 -9.386 1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.042 -9.358 2.646 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.967 -7.962 2.045 1.00 0.00 H new ATOM 1588 N LEU A 72 3.939 -5.953 2.966 1.00 0.00 N ATOM 1589 CA LEU A 72 4.672 -5.172 3.947 1.00 0.00 C ATOM 1590 C LEU A 72 4.782 -3.733 3.480 1.00 0.00 C ATOM 1591 O LEU A 72 4.672 -3.451 2.284 1.00 0.00 O ATOM 1592 CB LEU A 72 6.070 -5.755 4.168 1.00 0.00 C ATOM 1593 CG LEU A 72 6.145 -7.281 4.194 1.00 0.00 C ATOM 1594 CD1 LEU A 72 7.487 -7.758 3.670 1.00 0.00 C ATOM 1595 CD2 LEU A 72 5.910 -7.805 5.601 1.00 0.00 C ATOM 0 H LEU A 72 4.277 -5.847 2.009 1.00 0.00 H new ATOM 0 HA LEU A 72 4.130 -5.206 4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.727 -5.389 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.460 -5.372 5.111 1.00 0.00 H new ATOM 0 HG LEU A 72 5.361 -7.672 3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.522 -8.847 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.620 -7.415 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.285 -7.355 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.967 -8.893 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.670 -7.403 6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.923 -7.495 5.945 1.00 0.00 H new ATOM 1607 N CYS A 73 4.989 -2.827 4.418 1.00 0.00 N ATOM 1608 CA CYS A 73 5.147 -1.426 4.091 1.00 0.00 C ATOM 1609 C CYS A 73 6.523 -1.171 3.471 1.00 0.00 C ATOM 1610 O CYS A 73 7.347 -2.085 3.362 1.00 0.00 O ATOM 1611 CB CYS A 73 4.952 -0.573 5.347 1.00 0.00 C ATOM 1612 SG CYS A 73 6.137 -0.929 6.684 1.00 0.00 S ATOM 0 H CYS A 73 5.051 -3.039 5.414 1.00 0.00 H new ATOM 0 HA CYS A 73 4.390 -1.147 3.358 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.035 0.479 5.074 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.940 -0.726 5.723 1.00 0.00 H new ATOM 0 HG CYS A 73 5.500 -1.028 7.813 1.00 0.00 H new ATOM 1617 N ARG A 74 6.761 0.073 3.074 1.00 0.00 N ATOM 1618 CA ARG A 74 8.021 0.456 2.443 1.00 0.00 C ATOM 1619 C ARG A 74 9.195 0.182 3.379 1.00 0.00 C ATOM 1620 O ARG A 74 10.232 -0.334 2.963 1.00 0.00 O ATOM 1621 CB ARG A 74 7.981 1.942 2.054 1.00 0.00 C ATOM 1622 CG ARG A 74 9.353 2.584 1.871 1.00 0.00 C ATOM 1623 CD ARG A 74 9.241 4.042 1.450 1.00 0.00 C ATOM 1624 NE ARG A 74 8.214 4.759 2.208 1.00 0.00 N ATOM 1625 CZ ARG A 74 7.942 6.054 2.054 1.00 0.00 C ATOM 1626 NH1 ARG A 74 8.656 6.793 1.211 1.00 0.00 N ATOM 1627 NH2 ARG A 74 6.967 6.611 2.760 1.00 0.00 N ATOM 0 H ARG A 74 6.095 0.839 3.178 1.00 0.00 H new ATOM 0 HA ARG A 74 8.157 -0.142 1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.418 2.047 1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.436 2.491 2.822 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.914 2.517 2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.916 2.031 1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.204 4.534 1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.008 4.094 0.386 1.00 0.00 H new ATOM 0 HE ARG A 74 7.674 4.235 2.896 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.416 6.369 0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.444 7.784 1.096 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.428 6.048 3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.756 7.602 2.645 1.00 0.00 H new ATOM 1641 N ASN A 75 9.008 0.507 4.650 1.00 0.00 N ATOM 1642 CA ASN A 75 10.055 0.338 5.646 1.00 0.00 C ATOM 1643 C ASN A 75 10.194 -1.127 6.045 1.00 0.00 C ATOM 1644 O ASN A 75 11.302 -1.613 6.281 1.00 0.00 O ATOM 1645 CB ASN A 75 9.756 1.219 6.869 1.00 0.00 C ATOM 1646 CG ASN A 75 9.925 0.503 8.200 1.00 0.00 C ATOM 1647 OD1 ASN A 75 11.017 0.479 8.770 1.00 0.00 O ATOM 1648 ND2 ASN A 75 8.844 -0.070 8.713 1.00 0.00 N ATOM 0 H ASN A 75 8.137 0.891 5.017 1.00 0.00 H new ATOM 0 HA ASN A 75 11.006 0.651 5.215 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.414 2.088 6.849 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.734 1.592 6.795 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.899 -0.552 9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.957 -0.028 8.210 1.00 0.00 H new ATOM 1655 N ASP A 76 9.073 -1.834 6.095 1.00 0.00 N ATOM 1656 CA ASP A 76 9.070 -3.213 6.564 1.00 0.00 C ATOM 1657 C ASP A 76 9.755 -4.140 5.578 1.00 0.00 C ATOM 1658 O ASP A 76 10.439 -5.072 5.984 1.00 0.00 O ATOM 1659 CB ASP A 76 7.649 -3.706 6.823 1.00 0.00 C ATOM 1660 CG ASP A 76 7.435 -4.085 8.269 1.00 0.00 C ATOM 1661 OD1 ASP A 76 8.151 -4.993 8.766 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.580 -3.465 8.942 1.00 0.00 O ATOM 0 H ASP A 76 8.158 -1.478 5.818 1.00 0.00 H new ATOM 0 HA ASP A 76 9.627 -3.228 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.939 -2.928 6.544 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.443 -4.568 6.188 1.00 0.00 H new ATOM 1667 N TYR A 77 9.575 -3.888 4.284 1.00 0.00 N ATOM 1668 CA TYR A 77 10.201 -4.722 3.265 1.00 0.00 C ATOM 1669 C TYR A 77 11.716 -4.751 3.452 1.00 0.00 C ATOM 1670 O TYR A 77 12.332 -5.815 3.411 1.00 0.00 O ATOM 1671 CB TYR A 77 9.869 -4.233 1.851 1.00 0.00 C ATOM 1672 CG TYR A 77 10.758 -4.855 0.796 1.00 0.00 C ATOM 1673 CD1 TYR A 77 10.761 -6.230 0.592 1.00 0.00 C ATOM 1674 CD2 TYR A 77 11.612 -4.074 0.026 1.00 0.00 C ATOM 1675 CE1 TYR A 77 11.585 -6.808 -0.352 1.00 0.00 C ATOM 1676 CE2 TYR A 77 12.443 -4.648 -0.916 1.00 0.00 C ATOM 1677 CZ TYR A 77 12.425 -6.013 -1.101 1.00 0.00 C ATOM 1678 OH TYR A 77 13.258 -6.588 -2.028 1.00 0.00 O ATOM 0 H TYR A 77 9.008 -3.122 3.920 1.00 0.00 H new ATOM 0 HA TYR A 77 9.801 -5.729 3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.828 -4.464 1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.970 -3.148 1.813 1.00 0.00 H new ATOM 0 HD1 TYR A 77 10.108 -6.856 1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.626 -3.003 0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 77 11.572 -7.877 -0.503 1.00 0.00 H new ATOM 0 HE2 TYR A 77 13.104 -4.029 -1.505 1.00 0.00 H new ATOM 0 HH TYR A 77 14.190 -6.455 -1.757 1.00 0.00 H new ATOM 1688 N ILE A 78 12.306 -3.583 3.671 1.00 0.00 N ATOM 1689 CA ILE A 78 13.750 -3.475 3.843 1.00 0.00 C ATOM 1690 C ILE A 78 14.187 -4.151 5.137 1.00 0.00 C ATOM 1691 O ILE A 78 15.207 -4.840 5.178 1.00 0.00 O ATOM 1692 CB ILE A 78 14.211 -2.001 3.858 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.620 -1.240 2.666 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.731 -1.916 3.840 1.00 0.00 C ATOM 1695 CD1 ILE A 78 13.519 0.251 2.894 1.00 0.00 C ATOM 0 H ILE A 78 11.807 -2.696 3.734 1.00 0.00 H new ATOM 0 HA ILE A 78 14.214 -3.976 2.993 1.00 0.00 H new ATOM 0 HB ILE A 78 13.850 -1.539 4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 78 14.236 -1.424 1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.627 -1.635 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 78 16.037 -0.870 3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.134 -2.421 4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 78 16.112 -2.396 2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 78 13.093 0.726 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.879 0.445 3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.512 0.659 3.081 1.00 0.00 H new ATOM 1707 N ARG A 79 13.399 -3.962 6.187 1.00 0.00 N ATOM 1708 CA ARG A 79 13.700 -4.540 7.490 1.00 0.00 C ATOM 1709 C ARG A 79 13.549 -6.065 7.457 1.00 0.00 C ATOM 1710 O ARG A 79 14.267 -6.787 8.149 1.00 0.00 O ATOM 1711 CB ARG A 79 12.801 -3.900 8.562 1.00 0.00 C ATOM 1712 CG ARG A 79 11.824 -4.852 9.239 1.00 0.00 C ATOM 1713 CD ARG A 79 11.319 -4.286 10.554 1.00 0.00 C ATOM 1714 NE ARG A 79 9.887 -3.986 10.510 1.00 0.00 N ATOM 1715 CZ ARG A 79 9.260 -3.181 11.371 1.00 0.00 C ATOM 1716 NH1 ARG A 79 9.928 -2.616 12.367 1.00 0.00 N ATOM 1717 NH2 ARG A 79 7.960 -2.951 11.234 1.00 0.00 N ATOM 0 H ARG A 79 12.542 -3.410 6.161 1.00 0.00 H new ATOM 0 HA ARG A 79 14.738 -4.327 7.746 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.436 -3.452 9.326 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.235 -3.090 8.103 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.980 -5.042 8.575 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.312 -5.810 9.417 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.515 -4.999 11.354 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.872 -3.378 10.794 1.00 0.00 H new ATOM 0 HE ARG A 79 9.332 -4.421 9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.926 -2.795 12.478 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.444 -2.002 13.022 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.442 -3.389 10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.479 -2.336 11.891 1.00 0.00 H new ATOM 1731 N LEU A 80 12.623 -6.545 6.638 1.00 0.00 N ATOM 1732 CA LEU A 80 12.391 -7.976 6.495 1.00 0.00 C ATOM 1733 C LEU A 80 13.419 -8.603 5.560 1.00 0.00 C ATOM 1734 O LEU A 80 14.209 -9.458 5.965 1.00 0.00 O ATOM 1735 CB LEU A 80 10.981 -8.236 5.954 1.00 0.00 C ATOM 1736 CG LEU A 80 9.865 -8.351 7.003 1.00 0.00 C ATOM 1737 CD1 LEU A 80 9.083 -9.634 6.800 1.00 0.00 C ATOM 1738 CD2 LEU A 80 10.418 -8.295 8.421 1.00 0.00 C ATOM 0 H LEU A 80 12.018 -5.962 6.060 1.00 0.00 H new ATOM 0 HA LEU A 80 12.489 -8.432 7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.724 -7.431 5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 80 11.001 -9.158 5.372 1.00 0.00 H new ATOM 0 HG LEU A 80 9.199 -7.498 6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.295 -9.703 7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.638 -9.635 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.753 -10.488 6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.599 -8.379 9.135 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.117 -9.118 8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.935 -7.348 8.573 1.00 0.00 H new ATOM 1750 N PHE A 81 13.410 -8.167 4.309 1.00 0.00 N ATOM 1751 CA PHE A 81 14.291 -8.730 3.299 1.00 0.00 C ATOM 1752 C PHE A 81 15.324 -7.705 2.848 1.00 0.00 C ATOM 1753 O PHE A 81 16.449 -7.690 3.343 1.00 0.00 O ATOM 1754 CB PHE A 81 13.490 -9.219 2.088 1.00 0.00 C ATOM 1755 CG PHE A 81 12.280 -10.045 2.434 1.00 0.00 C ATOM 1756 CD1 PHE A 81 12.405 -11.385 2.762 1.00 0.00 C ATOM 1757 CD2 PHE A 81 11.015 -9.479 2.424 1.00 0.00 C ATOM 1758 CE1 PHE A 81 11.291 -12.144 3.074 1.00 0.00 C ATOM 1759 CE2 PHE A 81 9.899 -10.234 2.734 1.00 0.00 C ATOM 1760 CZ PHE A 81 10.038 -11.566 3.060 1.00 0.00 C ATOM 0 H PHE A 81 12.800 -7.423 3.969 1.00 0.00 H new ATOM 0 HA PHE A 81 14.807 -9.579 3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 81 13.170 -8.354 1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 81 14.146 -9.809 1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 81 13.383 -11.843 2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.900 -8.435 2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.402 -13.188 3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.919 -9.780 2.721 1.00 0.00 H new ATOM 0 HZ PHE A 81 9.167 -12.157 3.304 1.00 0.00 H new ATOM 1770 N GLY A 82 14.932 -6.843 1.919 1.00 0.00 N ATOM 1771 CA GLY A 82 15.858 -5.880 1.365 1.00 0.00 C ATOM 1772 C GLY A 82 16.453 -6.372 0.065 1.00 0.00 C ATOM 1773 O GLY A 82 15.689 -6.569 -0.903 1.00 0.00 O ATOM 1774 OXT GLY A 82 17.682 -6.588 0.012 1.00 0.00 O ATOM 0 H GLY A 82 13.986 -6.795 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.344 -4.934 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.656 -5.686 2.082 1.00 0.00 H new