USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 475 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 34 MET CE :methyl 139:sc= -2.66 (180deg=-1.22) USER MOD Set 1.2: A 37 TYR OH : rot -157:sc= 1.34 USER MOD Set 1.3: A 70 HIS : no HD1:sc= -0.331 K(o=-1.7,f=-10!) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.177 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.163 USER MOD Single : A 30 SER OG : rot -41:sc= 0.00273 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.23) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc=-0.00913 K(o=-0.0091,f=-1.1) USER MOD Single : A 55 MET CE :methyl 158:sc= -0.147 (180deg=-0.563) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.633 F(o=-1.7,f=-0.63) USER MOD Single : A 72 LYS NZ :NH3+ -154:sc= -0.08 (180deg=-0.446) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.65) USER MOD Single : A 77 SER OG : rot 139:sc= 0.375 USER MOD Single : A 79 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.0063) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -123:sc= -3.07! (180deg=-6.52!) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 29.056 -24.822 27.321 1.00 0.00 N ATOM 331 CA VAL A 25 27.812 -24.196 26.889 1.00 0.00 C ATOM 332 C VAL A 25 28.080 -22.872 26.182 1.00 0.00 C ATOM 333 O VAL A 25 27.333 -22.473 25.288 1.00 0.00 O ATOM 334 CB VAL A 25 26.866 -23.948 28.079 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.591 -23.263 27.613 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.550 -25.256 28.789 1.00 0.00 C ATOM 0 HA VAL A 25 27.335 -24.886 26.193 1.00 0.00 H new ATOM 0 HB VAL A 25 27.366 -23.288 28.788 1.00 0.00 H new ATOM 0 HG11 VAL A 25 24.935 -23.096 28.467 1.00 0.00 H new ATOM 0 HG12 VAL A 25 25.839 -22.306 27.153 1.00 0.00 H new ATOM 0 HG13 VAL A 25 25.084 -23.895 26.884 1.00 0.00 H new ATOM 0 HG21 VAL A 25 25.881 -25.063 29.627 1.00 0.00 H new ATOM 0 HG22 VAL A 25 26.069 -25.942 28.091 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.474 -25.702 29.158 1.00 0.00 H new ATOM 346 N ASP A 26 29.149 -22.197 26.587 1.00 0.00 N ATOM 347 CA ASP A 26 29.517 -20.918 25.991 1.00 0.00 C ATOM 348 C ASP A 26 29.811 -21.076 24.503 1.00 0.00 C ATOM 349 O ASP A 26 29.523 -20.184 23.704 1.00 0.00 O ATOM 350 CB ASP A 26 30.735 -20.330 26.705 1.00 0.00 C ATOM 351 CG ASP A 26 30.557 -20.282 28.210 1.00 0.00 C ATOM 352 OD1 ASP A 26 29.432 -19.989 28.665 1.00 0.00 O ATOM 353 OD2 ASP A 26 31.544 -20.537 28.932 1.00 0.00 O ATOM 0 H ASP A 26 29.777 -22.514 27.326 1.00 0.00 H new ATOM 0 HA ASP A 26 28.674 -20.236 26.106 1.00 0.00 H new ATOM 0 HB2 ASP A 26 31.616 -20.926 26.465 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.920 -19.323 26.332 1.00 0.00 H new ATOM 358 N ASP A 27 30.387 -22.216 24.137 1.00 0.00 N ATOM 359 CA ASP A 27 30.720 -22.492 22.744 1.00 0.00 C ATOM 360 C ASP A 27 29.479 -22.906 21.960 1.00 0.00 C ATOM 361 O ASP A 27 29.202 -22.368 20.889 1.00 0.00 O ATOM 362 CB ASP A 27 31.783 -23.589 22.660 1.00 0.00 C ATOM 363 CG ASP A 27 32.854 -23.279 21.633 1.00 0.00 C ATOM 364 OD1 ASP A 27 32.496 -22.931 20.488 1.00 0.00 O ATOM 365 OD2 ASP A 27 34.050 -23.385 21.974 1.00 0.00 O ATOM 0 H ASP A 27 30.633 -22.964 24.785 1.00 0.00 H new ATOM 0 HA ASP A 27 31.117 -21.578 22.302 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.247 -23.717 23.638 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.305 -24.536 22.408 1.00 0.00 H new ATOM 370 N TRP A 28 28.738 -23.866 22.501 1.00 0.00 N ATOM 371 CA TRP A 28 27.526 -24.354 21.851 1.00 0.00 C ATOM 372 C TRP A 28 26.587 -23.200 21.515 1.00 0.00 C ATOM 373 O TRP A 28 26.203 -23.016 20.359 1.00 0.00 O ATOM 374 CB TRP A 28 26.812 -25.364 22.750 1.00 0.00 C ATOM 375 CG TRP A 28 25.394 -25.624 22.341 1.00 0.00 C ATOM 376 CD1 TRP A 28 24.948 -25.960 21.095 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.236 -25.567 23.181 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.583 -26.116 21.109 1.00 0.00 N ATOM 379 CE2 TRP A 28 23.122 -25.881 22.378 1.00 0.00 C ATOM 380 CE3 TRP A 28 24.031 -25.283 24.534 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.826 -25.917 22.884 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.744 -25.319 25.035 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.654 -25.635 24.212 1.00 0.00 C ATOM 0 H TRP A 28 28.954 -24.322 23.387 1.00 0.00 H new ATOM 0 HA TRP A 28 27.814 -24.846 20.922 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.364 -26.304 22.739 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.825 -24.999 23.777 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.576 -26.085 20.226 1.00 0.00 H new ATOM 0 HE1 TRP A 28 23.007 -26.366 20.306 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.864 -25.040 25.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 20.985 -26.159 22.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.575 -25.100 26.079 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.660 -25.656 24.634 1.00 0.00 H new ATOM 394 N LEU A 29 26.220 -22.427 22.530 1.00 0.00 N ATOM 395 CA LEU A 29 25.326 -21.290 22.342 1.00 0.00 C ATOM 396 C LEU A 29 25.876 -20.332 21.290 1.00 0.00 C ATOM 397 O LEU A 29 25.121 -19.748 20.512 1.00 0.00 O ATOM 398 CB LEU A 29 25.123 -20.550 23.665 1.00 0.00 C ATOM 399 CG LEU A 29 24.382 -21.321 24.758 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.168 -20.441 25.980 1.00 0.00 C ATOM 401 CD2 LEU A 29 23.051 -21.842 24.235 1.00 0.00 C ATOM 0 H LEU A 29 26.528 -22.567 23.492 1.00 0.00 H new ATOM 0 HA LEU A 29 24.365 -21.670 21.994 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.101 -20.262 24.051 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.576 -19.629 23.463 1.00 0.00 H new ATOM 0 HG LEU A 29 24.993 -22.174 25.052 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.639 -21.006 26.747 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.133 -20.117 26.369 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.578 -19.568 25.701 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.538 -22.388 25.026 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.433 -21.004 23.913 1.00 0.00 H new ATOM 0 HD23 LEU A 29 23.228 -22.508 23.390 1.00 0.00 H new ATOM 413 N SER A 30 27.196 -20.178 21.271 1.00 0.00 N ATOM 414 CA SER A 30 27.848 -19.290 20.315 1.00 0.00 C ATOM 415 C SER A 30 27.761 -19.856 18.901 1.00 0.00 C ATOM 416 O SER A 30 27.938 -19.134 17.920 1.00 0.00 O ATOM 417 CB SER A 30 29.312 -19.076 20.702 1.00 0.00 C ATOM 418 OG SER A 30 29.845 -17.926 20.068 1.00 0.00 O ATOM 0 H SER A 30 27.835 -20.656 21.906 1.00 0.00 H new ATOM 0 HA SER A 30 27.330 -18.331 20.336 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.393 -18.969 21.784 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.897 -19.953 20.423 1.00 0.00 H new ATOM 0 HG SER A 30 29.535 -17.891 19.139 1.00 0.00 H new ATOM 424 N ALA A 31 27.487 -21.153 18.805 1.00 0.00 N ATOM 425 CA ALA A 31 27.374 -21.816 17.512 1.00 0.00 C ATOM 426 C ALA A 31 25.944 -21.758 16.988 1.00 0.00 C ATOM 427 O ALA A 31 25.668 -22.176 15.863 1.00 0.00 O ATOM 428 CB ALA A 31 27.841 -23.261 17.618 1.00 0.00 C ATOM 0 H ALA A 31 27.339 -21.765 19.607 1.00 0.00 H new ATOM 0 HA ALA A 31 28.014 -21.289 16.804 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.751 -23.745 16.645 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.882 -23.284 17.940 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.224 -23.790 18.345 1.00 0.00 H new ATOM 434 N ILE A 32 25.038 -21.237 17.809 1.00 0.00 N ATOM 435 CA ILE A 32 23.636 -21.123 17.426 1.00 0.00 C ATOM 436 C ILE A 32 23.145 -19.686 17.558 1.00 0.00 C ATOM 437 O ILE A 32 21.947 -19.417 17.474 1.00 0.00 O ATOM 438 CB ILE A 32 22.743 -22.039 18.284 1.00 0.00 C ATOM 439 CG1 ILE A 32 23.086 -21.880 19.766 1.00 0.00 C ATOM 440 CG2 ILE A 32 22.901 -23.489 17.851 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.242 -22.743 20.678 1.00 0.00 C ATOM 0 H ILE A 32 25.250 -20.887 18.743 1.00 0.00 H new ATOM 0 HA ILE A 32 23.567 -21.433 16.383 1.00 0.00 H new ATOM 0 HB ILE A 32 21.703 -21.748 18.138 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.137 -22.127 19.916 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.961 -20.835 20.050 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.264 -24.124 18.467 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.612 -23.590 16.805 1.00 0.00 H new ATOM 0 HG23 ILE A 32 23.941 -23.793 17.971 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.540 -22.578 21.713 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.191 -22.481 20.557 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.386 -23.793 20.421 1.00 0.00 H new ATOM 453 N LYS A 33 24.080 -18.763 17.762 1.00 0.00 N ATOM 454 CA LYS A 33 23.744 -17.351 17.901 1.00 0.00 C ATOM 455 C LYS A 33 22.964 -17.102 19.188 1.00 0.00 C ATOM 456 O LYS A 33 22.395 -16.028 19.382 1.00 0.00 O ATOM 457 CB LYS A 33 22.927 -16.879 16.697 1.00 0.00 C ATOM 458 CG LYS A 33 23.460 -17.379 15.366 1.00 0.00 C ATOM 459 CD LYS A 33 23.576 -16.253 14.352 1.00 0.00 C ATOM 460 CE LYS A 33 22.338 -16.164 13.473 1.00 0.00 C ATOM 461 NZ LYS A 33 22.675 -15.765 12.079 1.00 0.00 N ATOM 0 H LYS A 33 25.077 -18.968 17.835 1.00 0.00 H new ATOM 0 HA LYS A 33 24.674 -16.784 17.945 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.896 -17.213 16.815 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.909 -15.789 16.685 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.437 -17.838 15.514 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.799 -18.154 14.977 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.722 -15.307 14.873 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.456 -16.413 13.728 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.830 -17.129 13.462 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.641 -15.442 13.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.805 -15.716 11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.137 -14.833 12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.320 -16.467 11.663 1.00 0.00 H new ATOM 475 N MET A 34 22.944 -18.100 20.065 1.00 0.00 N ATOM 476 CA MET A 34 22.236 -17.987 21.335 1.00 0.00 C ATOM 477 C MET A 34 23.215 -17.789 22.488 1.00 0.00 C ATOM 478 O MET A 34 22.897 -18.077 23.641 1.00 0.00 O ATOM 479 CB MET A 34 21.385 -19.235 21.582 1.00 0.00 C ATOM 480 CG MET A 34 20.502 -19.611 20.403 1.00 0.00 C ATOM 481 SD MET A 34 19.399 -18.273 19.907 1.00 0.00 S ATOM 482 CE MET A 34 18.250 -18.254 21.281 1.00 0.00 C ATOM 0 H MET A 34 23.410 -18.996 19.920 1.00 0.00 H new ATOM 0 HA MET A 34 21.584 -17.115 21.282 1.00 0.00 H new ATOM 0 HB2 MET A 34 22.042 -20.073 21.815 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.757 -19.069 22.457 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.131 -19.891 19.558 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.909 -20.488 20.663 1.00 0.00 H new ATOM 0 HE1 MET A 34 18.022 -17.223 21.551 1.00 0.00 H new ATOM 0 HE2 MET A 34 17.331 -18.766 20.994 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.696 -18.762 22.136 1.00 0.00 H new ATOM 492 N VAL A 35 24.406 -17.294 22.168 1.00 0.00 N ATOM 493 CA VAL A 35 25.431 -17.056 23.177 1.00 0.00 C ATOM 494 C VAL A 35 24.931 -16.099 24.253 1.00 0.00 C ATOM 495 O VAL A 35 25.453 -16.076 25.367 1.00 0.00 O ATOM 496 CB VAL A 35 26.714 -16.480 22.549 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.653 -14.961 22.508 1.00 0.00 C ATOM 498 CG2 VAL A 35 27.941 -16.952 23.315 1.00 0.00 C ATOM 0 H VAL A 35 24.685 -17.050 21.218 1.00 0.00 H new ATOM 0 HA VAL A 35 25.659 -18.021 23.630 1.00 0.00 H new ATOM 0 HB VAL A 35 26.791 -16.845 21.525 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.568 -14.572 22.061 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.796 -14.647 21.912 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.551 -14.573 23.522 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.838 -16.535 22.857 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.874 -16.619 24.351 1.00 0.00 H new ATOM 0 HG23 VAL A 35 27.991 -18.040 23.287 1.00 0.00 H new ATOM 508 N GLN A 36 23.917 -15.311 23.911 1.00 0.00 N ATOM 509 CA GLN A 36 23.347 -14.351 24.849 1.00 0.00 C ATOM 510 C GLN A 36 22.903 -15.043 26.134 1.00 0.00 C ATOM 511 O GLN A 36 22.834 -14.421 27.194 1.00 0.00 O ATOM 512 CB GLN A 36 22.161 -13.625 24.211 1.00 0.00 C ATOM 513 CG GLN A 36 20.990 -14.539 23.889 1.00 0.00 C ATOM 514 CD GLN A 36 19.740 -13.772 23.506 1.00 0.00 C ATOM 515 OE1 GLN A 36 19.254 -12.934 24.266 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.211 -14.055 22.321 1.00 0.00 N ATOM 0 H GLN A 36 23.474 -15.318 22.992 1.00 0.00 H new ATOM 0 HA GLN A 36 24.119 -13.623 25.098 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.822 -12.838 24.885 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.494 -13.138 23.294 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.268 -15.205 23.072 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.776 -15.167 24.754 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.647 -14.757 21.723 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.369 -13.570 22.009 1.00 0.00 H new ATOM 525 N TYR A 37 22.602 -16.333 26.031 1.00 0.00 N ATOM 526 CA TYR A 37 22.161 -17.109 27.184 1.00 0.00 C ATOM 527 C TYR A 37 23.305 -17.948 27.745 1.00 0.00 C ATOM 528 O TYR A 37 23.082 -19.000 28.345 1.00 0.00 O ATOM 529 CB TYR A 37 20.991 -18.015 26.799 1.00 0.00 C ATOM 530 CG TYR A 37 19.774 -17.259 26.314 1.00 0.00 C ATOM 531 CD1 TYR A 37 19.084 -16.398 27.159 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.315 -17.406 25.011 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.972 -15.706 26.720 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.204 -16.716 24.563 1.00 0.00 C ATOM 535 CZ TYR A 37 17.536 -15.868 25.421 1.00 0.00 C ATOM 536 OH TYR A 37 16.429 -15.181 24.980 1.00 0.00 O ATOM 0 H TYR A 37 22.655 -16.863 25.161 1.00 0.00 H new ATOM 0 HA TYR A 37 21.833 -16.412 27.955 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.316 -18.702 26.018 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.712 -18.621 27.661 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.423 -16.268 28.176 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.835 -18.070 24.337 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.447 -15.042 27.390 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.861 -16.840 23.546 1.00 0.00 H new ATOM 0 HH TYR A 37 16.037 -15.649 24.214 1.00 0.00 H new ATOM 546 N ARG A 38 24.531 -17.474 27.547 1.00 0.00 N ATOM 547 CA ARG A 38 25.711 -18.180 28.032 1.00 0.00 C ATOM 548 C ARG A 38 25.827 -18.066 29.549 1.00 0.00 C ATOM 549 O ARG A 38 26.407 -18.932 30.204 1.00 0.00 O ATOM 550 CB ARG A 38 26.972 -17.623 27.369 1.00 0.00 C ATOM 551 CG ARG A 38 27.291 -16.193 27.772 1.00 0.00 C ATOM 552 CD ARG A 38 28.707 -15.804 27.374 1.00 0.00 C ATOM 553 NE ARG A 38 28.766 -15.272 26.016 1.00 0.00 N ATOM 554 CZ ARG A 38 29.872 -14.784 25.466 1.00 0.00 C ATOM 555 NH1 ARG A 38 31.005 -14.761 26.155 1.00 0.00 N ATOM 556 NH2 ARG A 38 29.847 -14.317 24.224 1.00 0.00 N ATOM 0 H ARG A 38 24.733 -16.604 27.054 1.00 0.00 H new ATOM 0 HA ARG A 38 25.607 -19.233 27.772 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.818 -18.261 27.624 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.853 -17.669 26.286 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.580 -15.514 27.301 1.00 0.00 H new ATOM 0 HG3 ARG A 38 27.172 -16.082 28.850 1.00 0.00 H new ATOM 0 HD2 ARG A 38 29.088 -15.059 28.072 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.358 -16.675 27.451 1.00 0.00 H new ATOM 0 HE ARG A 38 27.911 -15.275 25.459 1.00 0.00 H new ATOM 0 HH11 ARG A 38 31.029 -15.119 27.110 1.00 0.00 H new ATOM 0 HH12 ARG A 38 31.853 -14.386 25.730 1.00 0.00 H new ATOM 0 HH21 ARG A 38 28.978 -14.333 23.691 1.00 0.00 H new ATOM 0 HH22 ARG A 38 30.697 -13.942 23.803 1.00 0.00 H new ATOM 570 N ASP A 39 25.273 -16.992 30.100 1.00 0.00 N ATOM 571 CA ASP A 39 25.314 -16.764 31.540 1.00 0.00 C ATOM 572 C ASP A 39 24.097 -17.381 32.223 1.00 0.00 C ATOM 573 O ASP A 39 24.146 -17.734 33.401 1.00 0.00 O ATOM 574 CB ASP A 39 25.378 -15.266 31.840 1.00 0.00 C ATOM 575 CG ASP A 39 26.798 -14.776 32.044 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.384 -15.081 33.104 1.00 0.00 O ATOM 577 OD2 ASP A 39 27.323 -14.088 31.144 1.00 0.00 O ATOM 0 H ASP A 39 24.790 -16.265 29.572 1.00 0.00 H new ATOM 0 HA ASP A 39 26.211 -17.243 31.933 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.921 -14.714 31.019 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.791 -15.052 32.733 1.00 0.00 H new ATOM 582 N SER A 40 23.006 -17.506 31.474 1.00 0.00 N ATOM 583 CA SER A 40 21.774 -18.076 32.008 1.00 0.00 C ATOM 584 C SER A 40 21.980 -19.531 32.415 1.00 0.00 C ATOM 585 O SER A 40 21.509 -19.967 33.466 1.00 0.00 O ATOM 586 CB SER A 40 20.651 -17.977 30.974 1.00 0.00 C ATOM 587 OG SER A 40 19.698 -16.998 31.348 1.00 0.00 O ATOM 0 H SER A 40 22.950 -17.221 30.496 1.00 0.00 H new ATOM 0 HA SER A 40 21.493 -17.506 32.894 1.00 0.00 H new ATOM 0 HB2 SER A 40 21.071 -17.727 30.000 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.161 -18.945 30.871 1.00 0.00 H new ATOM 0 HG SER A 40 18.992 -16.953 30.670 1.00 0.00 H new ATOM 593 N PHE A 41 22.688 -20.279 31.575 1.00 0.00 N ATOM 594 CA PHE A 41 22.957 -21.687 31.845 1.00 0.00 C ATOM 595 C PHE A 41 24.084 -21.840 32.862 1.00 0.00 C ATOM 596 O PHE A 41 24.000 -22.655 33.782 1.00 0.00 O ATOM 597 CB PHE A 41 23.321 -22.416 30.550 1.00 0.00 C ATOM 598 CG PHE A 41 22.149 -22.639 29.638 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.139 -23.520 29.989 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.056 -21.967 28.430 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.059 -23.728 29.151 1.00 0.00 C ATOM 602 CE2 PHE A 41 20.979 -22.170 27.588 1.00 0.00 C ATOM 603 CZ PHE A 41 19.979 -23.051 27.950 1.00 0.00 C ATOM 0 H PHE A 41 23.086 -19.934 30.702 1.00 0.00 H new ATOM 0 HA PHE A 41 22.053 -22.131 32.262 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.080 -21.841 30.019 1.00 0.00 H new ATOM 0 HB3 PHE A 41 23.767 -23.379 30.798 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.196 -24.050 30.928 1.00 0.00 H new ATOM 0 HD2 PHE A 41 22.835 -21.276 28.143 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.279 -24.419 29.435 1.00 0.00 H new ATOM 0 HE2 PHE A 41 20.920 -21.641 26.649 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.135 -23.210 27.295 1.00 0.00 H new ATOM 613 N LEU A 42 25.139 -21.051 32.690 1.00 0.00 N ATOM 614 CA LEU A 42 26.285 -21.098 33.592 1.00 0.00 C ATOM 615 C LEU A 42 25.840 -20.963 35.045 1.00 0.00 C ATOM 616 O LEU A 42 26.058 -21.861 35.859 1.00 0.00 O ATOM 617 CB LEU A 42 27.278 -19.987 33.246 1.00 0.00 C ATOM 618 CG LEU A 42 28.304 -20.318 32.162 1.00 0.00 C ATOM 619 CD1 LEU A 42 28.940 -19.046 31.623 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.369 -21.260 32.706 1.00 0.00 C ATOM 0 H LEU A 42 25.225 -20.371 31.934 1.00 0.00 H new ATOM 0 HA LEU A 42 26.773 -22.065 33.469 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.715 -19.109 32.929 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.814 -19.711 34.154 1.00 0.00 H new ATOM 0 HG LEU A 42 27.789 -20.818 31.342 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.668 -19.301 30.853 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.168 -18.406 31.195 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.441 -18.518 32.434 1.00 0.00 H new ATOM 0 HD21 LEU A 42 30.091 -21.485 31.921 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.880 -20.786 33.544 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.900 -22.184 33.043 1.00 0.00 H new ATOM 632 N THR A 43 25.212 -19.836 35.364 1.00 0.00 N ATOM 633 CA THR A 43 24.735 -19.583 36.718 1.00 0.00 C ATOM 634 C THR A 43 23.724 -20.638 37.150 1.00 0.00 C ATOM 635 O THR A 43 23.647 -20.994 38.326 1.00 0.00 O ATOM 636 CB THR A 43 24.089 -18.190 36.835 1.00 0.00 C ATOM 637 OG1 THR A 43 23.752 -17.920 38.200 1.00 0.00 O ATOM 638 CG2 THR A 43 22.840 -18.098 35.971 1.00 0.00 C ATOM 0 H THR A 43 25.022 -19.083 34.703 1.00 0.00 H new ATOM 0 HA THR A 43 25.605 -19.627 37.373 1.00 0.00 H new ATOM 0 HB THR A 43 24.808 -17.450 36.485 1.00 0.00 H new ATOM 0 HG1 THR A 43 23.343 -17.032 38.266 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.401 -17.105 36.070 1.00 0.00 H new ATOM 0 HG22 THR A 43 23.105 -18.275 34.929 1.00 0.00 H new ATOM 0 HG23 THR A 43 22.118 -18.848 36.294 1.00 0.00 H new ATOM 646 N ALA A 44 22.949 -21.136 36.192 1.00 0.00 N ATOM 647 CA ALA A 44 21.943 -22.153 36.473 1.00 0.00 C ATOM 648 C ALA A 44 22.592 -23.451 36.943 1.00 0.00 C ATOM 649 O ALA A 44 21.950 -24.279 37.587 1.00 0.00 O ATOM 650 CB ALA A 44 21.088 -22.405 35.241 1.00 0.00 C ATOM 0 H ALA A 44 22.999 -20.851 35.214 1.00 0.00 H new ATOM 0 HA ALA A 44 21.304 -21.785 37.276 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.341 -23.167 35.466 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.588 -21.481 34.950 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.721 -22.748 34.423 1.00 0.00 H new ATOM 656 N GLY A 45 23.869 -23.621 36.616 1.00 0.00 N ATOM 657 CA GLY A 45 24.583 -24.821 37.013 1.00 0.00 C ATOM 658 C GLY A 45 24.866 -25.741 35.842 1.00 0.00 C ATOM 659 O GLY A 45 25.173 -26.919 36.028 1.00 0.00 O ATOM 0 H GLY A 45 24.422 -22.950 36.083 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.524 -24.540 37.486 1.00 0.00 H new ATOM 0 HA3 GLY A 45 23.998 -25.358 37.760 1.00 0.00 H new ATOM 663 N PHE A 46 24.763 -25.204 34.631 1.00 0.00 N ATOM 664 CA PHE A 46 25.008 -25.985 33.424 1.00 0.00 C ATOM 665 C PHE A 46 26.247 -25.479 32.691 1.00 0.00 C ATOM 666 O PHE A 46 26.146 -24.836 31.646 1.00 0.00 O ATOM 667 CB PHE A 46 23.792 -25.924 32.496 1.00 0.00 C ATOM 668 CG PHE A 46 22.487 -26.156 33.202 1.00 0.00 C ATOM 669 CD1 PHE A 46 22.168 -27.408 33.703 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.580 -25.122 33.366 1.00 0.00 C ATOM 671 CE1 PHE A 46 20.967 -27.624 34.352 1.00 0.00 C ATOM 672 CE2 PHE A 46 20.377 -25.332 34.015 1.00 0.00 C ATOM 673 CZ PHE A 46 20.071 -26.584 34.509 1.00 0.00 C ATOM 0 H PHE A 46 24.511 -24.231 34.459 1.00 0.00 H new ATOM 0 HA PHE A 46 25.180 -27.020 33.719 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.765 -24.949 32.010 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.908 -26.669 31.709 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.866 -28.224 33.585 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.815 -24.140 32.982 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.729 -28.605 34.736 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.678 -24.518 34.135 1.00 0.00 H new ATOM 0 HZ PHE A 46 19.133 -26.750 35.017 1.00 0.00 H new ATOM 683 N THR A 47 27.418 -25.774 33.248 1.00 0.00 N ATOM 684 CA THR A 47 28.677 -25.349 32.650 1.00 0.00 C ATOM 685 C THR A 47 29.061 -26.247 31.480 1.00 0.00 C ATOM 686 O THR A 47 29.671 -25.795 30.511 1.00 0.00 O ATOM 687 CB THR A 47 29.820 -25.354 33.683 1.00 0.00 C ATOM 688 OG1 THR A 47 30.092 -26.695 34.105 1.00 0.00 O ATOM 689 CG2 THR A 47 29.462 -24.500 34.889 1.00 0.00 C ATOM 0 H THR A 47 27.520 -26.306 34.112 1.00 0.00 H new ATOM 0 HA THR A 47 28.528 -24.331 32.289 1.00 0.00 H new ATOM 0 HB THR A 47 30.709 -24.934 33.212 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.821 -26.690 34.760 1.00 0.00 H new ATOM 0 HG21 THR A 47 30.284 -24.519 35.605 1.00 0.00 H new ATOM 0 HG22 THR A 47 29.284 -23.474 34.568 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.562 -24.895 35.360 1.00 0.00 H new ATOM 697 N SER A 48 28.699 -27.523 31.575 1.00 0.00 N ATOM 698 CA SER A 48 29.009 -28.486 30.525 1.00 0.00 C ATOM 699 C SER A 48 27.742 -28.913 29.789 1.00 0.00 C ATOM 700 O SER A 48 26.663 -28.985 30.377 1.00 0.00 O ATOM 701 CB SER A 48 29.705 -29.712 31.118 1.00 0.00 C ATOM 702 OG SER A 48 31.087 -29.469 31.315 1.00 0.00 O ATOM 0 H SER A 48 28.191 -27.913 32.369 1.00 0.00 H new ATOM 0 HA SER A 48 29.679 -28.006 29.812 1.00 0.00 H new ATOM 0 HB2 SER A 48 29.240 -29.974 32.068 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.574 -30.566 30.453 1.00 0.00 H new ATOM 0 HG SER A 48 31.508 -30.267 31.696 1.00 0.00 H new ATOM 708 N LEU A 49 27.883 -29.194 28.498 1.00 0.00 N ATOM 709 CA LEU A 49 26.751 -29.614 27.679 1.00 0.00 C ATOM 710 C LEU A 49 26.186 -30.943 28.172 1.00 0.00 C ATOM 711 O LEU A 49 25.001 -31.227 27.996 1.00 0.00 O ATOM 712 CB LEU A 49 27.174 -29.739 26.215 1.00 0.00 C ATOM 713 CG LEU A 49 27.233 -28.434 25.420 1.00 0.00 C ATOM 714 CD1 LEU A 49 25.875 -27.750 25.416 1.00 0.00 C ATOM 715 CD2 LEU A 49 28.297 -27.508 25.992 1.00 0.00 C ATOM 0 H LEU A 49 28.769 -29.139 27.996 1.00 0.00 H new ATOM 0 HA LEU A 49 25.973 -28.856 27.762 1.00 0.00 H new ATOM 0 HB2 LEU A 49 28.158 -30.207 26.181 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.482 -30.415 25.714 1.00 0.00 H new ATOM 0 HG LEU A 49 27.501 -28.670 24.390 1.00 0.00 H new ATOM 0 HD11 LEU A 49 25.936 -26.823 24.846 1.00 0.00 H new ATOM 0 HD12 LEU A 49 25.137 -28.409 24.959 1.00 0.00 H new ATOM 0 HD13 LEU A 49 25.577 -27.527 26.440 1.00 0.00 H new ATOM 0 HD21 LEU A 49 28.325 -26.584 25.414 1.00 0.00 H new ATOM 0 HD22 LEU A 49 28.059 -27.279 27.031 1.00 0.00 H new ATOM 0 HD23 LEU A 49 29.270 -27.997 25.942 1.00 0.00 H new ATOM 727 N GLN A 50 27.041 -31.751 28.790 1.00 0.00 N ATOM 728 CA GLN A 50 26.626 -33.049 29.309 1.00 0.00 C ATOM 729 C GLN A 50 25.431 -32.904 30.245 1.00 0.00 C ATOM 730 O GLN A 50 24.629 -33.827 30.393 1.00 0.00 O ATOM 731 CB GLN A 50 27.786 -33.723 30.044 1.00 0.00 C ATOM 732 CG GLN A 50 27.399 -35.024 30.728 1.00 0.00 C ATOM 733 CD GLN A 50 27.416 -34.915 32.240 1.00 0.00 C ATOM 734 OE1 GLN A 50 26.430 -35.229 32.908 1.00 0.00 O ATOM 735 NE2 GLN A 50 28.540 -34.470 32.789 1.00 0.00 N ATOM 0 H GLN A 50 28.025 -31.530 28.944 1.00 0.00 H new ATOM 0 HA GLN A 50 26.330 -33.672 28.465 1.00 0.00 H new ATOM 0 HB2 GLN A 50 28.589 -33.920 29.334 1.00 0.00 H new ATOM 0 HB3 GLN A 50 28.182 -33.034 30.790 1.00 0.00 H new ATOM 0 HG2 GLN A 50 26.403 -35.320 30.400 1.00 0.00 H new ATOM 0 HG3 GLN A 50 28.085 -35.812 30.416 1.00 0.00 H new ATOM 0 HE21 GLN A 50 29.333 -34.221 32.197 1.00 0.00 H new ATOM 0 HE22 GLN A 50 28.611 -34.377 33.802 1.00 0.00 H new ATOM 744 N LEU A 51 25.318 -31.740 30.875 1.00 0.00 N ATOM 745 CA LEU A 51 24.220 -31.473 31.799 1.00 0.00 C ATOM 746 C LEU A 51 23.025 -30.872 31.065 1.00 0.00 C ATOM 747 O LEU A 51 21.883 -31.006 31.504 1.00 0.00 O ATOM 748 CB LEU A 51 24.680 -30.527 32.909 1.00 0.00 C ATOM 749 CG LEU A 51 25.756 -31.069 33.850 1.00 0.00 C ATOM 750 CD1 LEU A 51 26.053 -30.067 34.955 1.00 0.00 C ATOM 751 CD2 LEU A 51 25.324 -32.404 34.441 1.00 0.00 C ATOM 0 H LEU A 51 25.973 -30.966 30.763 1.00 0.00 H new ATOM 0 HA LEU A 51 23.912 -32.420 32.242 1.00 0.00 H new ATOM 0 HB2 LEU A 51 25.056 -29.614 32.448 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.811 -30.249 33.505 1.00 0.00 H new ATOM 0 HG LEU A 51 26.669 -31.226 33.275 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.821 -30.470 35.615 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.406 -29.134 34.515 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.145 -29.878 35.528 1.00 0.00 H new ATOM 0 HD21 LEU A 51 26.102 -32.775 35.108 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.398 -32.272 35.001 1.00 0.00 H new ATOM 0 HD23 LEU A 51 25.162 -33.122 33.637 1.00 0.00 H new ATOM 763 N VAL A 52 23.297 -30.212 29.944 1.00 0.00 N ATOM 764 CA VAL A 52 22.244 -29.593 29.147 1.00 0.00 C ATOM 765 C VAL A 52 21.552 -30.621 28.258 1.00 0.00 C ATOM 766 O VAL A 52 20.377 -30.475 27.920 1.00 0.00 O ATOM 767 CB VAL A 52 22.800 -28.460 28.265 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.694 -27.849 27.419 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.474 -27.399 29.123 1.00 0.00 C ATOM 0 H VAL A 52 24.237 -30.092 29.567 1.00 0.00 H new ATOM 0 HA VAL A 52 21.520 -29.176 29.848 1.00 0.00 H new ATOM 0 HB VAL A 52 23.548 -28.881 27.593 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.107 -27.050 26.803 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.261 -28.616 26.777 1.00 0.00 H new ATOM 0 HG13 VAL A 52 20.920 -27.442 28.070 1.00 0.00 H new ATOM 0 HG21 VAL A 52 23.861 -26.606 28.483 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.749 -26.981 29.821 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.296 -27.849 29.680 1.00 0.00 H new ATOM 779 N THR A 53 22.289 -31.662 27.882 1.00 0.00 N ATOM 780 CA THR A 53 21.747 -32.714 27.032 1.00 0.00 C ATOM 781 C THR A 53 20.585 -33.428 27.713 1.00 0.00 C ATOM 782 O THR A 53 19.721 -34.000 27.048 1.00 0.00 O ATOM 783 CB THR A 53 22.826 -33.750 26.663 1.00 0.00 C ATOM 784 OG1 THR A 53 23.459 -34.241 27.850 1.00 0.00 O ATOM 785 CG2 THR A 53 23.869 -33.140 25.740 1.00 0.00 C ATOM 0 H THR A 53 23.263 -31.798 28.153 1.00 0.00 H new ATOM 0 HA THR A 53 21.390 -32.232 26.122 1.00 0.00 H new ATOM 0 HB THR A 53 22.343 -34.576 26.141 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.143 -34.900 27.608 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.620 -33.890 25.493 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.388 -32.794 24.825 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.348 -32.297 26.239 1.00 0.00 H new ATOM 793 N GLN A 54 20.569 -33.389 29.041 1.00 0.00 N ATOM 794 CA GLN A 54 19.512 -34.032 29.812 1.00 0.00 C ATOM 795 C GLN A 54 18.489 -33.009 30.293 1.00 0.00 C ATOM 796 O GLN A 54 17.814 -33.218 31.301 1.00 0.00 O ATOM 797 CB GLN A 54 20.105 -34.779 31.008 1.00 0.00 C ATOM 798 CG GLN A 54 21.331 -35.609 30.659 1.00 0.00 C ATOM 799 CD GLN A 54 21.766 -36.513 31.796 1.00 0.00 C ATOM 800 OE1 GLN A 54 20.951 -36.929 32.620 1.00 0.00 O ATOM 801 NE2 GLN A 54 23.056 -36.821 31.847 1.00 0.00 N ATOM 0 H GLN A 54 21.276 -32.919 29.606 1.00 0.00 H new ATOM 0 HA GLN A 54 19.007 -34.746 29.162 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.372 -34.058 31.780 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.343 -35.432 31.432 1.00 0.00 H new ATOM 0 HG2 GLN A 54 21.116 -36.216 29.779 1.00 0.00 H new ATOM 0 HG3 GLN A 54 22.153 -34.943 30.394 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.696 -36.454 31.143 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.407 -37.425 32.590 1.00 0.00 H new ATOM 810 N MET A 55 18.380 -31.902 29.566 1.00 0.00 N ATOM 811 CA MET A 55 17.438 -30.846 29.919 1.00 0.00 C ATOM 812 C MET A 55 16.225 -30.867 28.994 1.00 0.00 C ATOM 813 O MET A 55 16.098 -31.745 28.140 1.00 0.00 O ATOM 814 CB MET A 55 18.122 -29.479 29.851 1.00 0.00 C ATOM 815 CG MET A 55 19.168 -29.268 30.934 1.00 0.00 C ATOM 816 SD MET A 55 18.442 -29.091 32.575 1.00 0.00 S ATOM 817 CE MET A 55 18.867 -30.670 33.306 1.00 0.00 C ATOM 0 H MET A 55 18.932 -31.713 28.729 1.00 0.00 H new ATOM 0 HA MET A 55 17.098 -31.024 30.939 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.594 -29.366 28.875 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.365 -28.699 29.931 1.00 0.00 H new ATOM 0 HG2 MET A 55 19.859 -30.111 30.936 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.752 -28.378 30.701 1.00 0.00 H new ATOM 0 HE1 MET A 55 18.849 -30.585 34.392 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.146 -31.423 32.989 1.00 0.00 H new ATOM 0 HE3 MET A 55 19.865 -30.964 32.981 1.00 0.00 H new ATOM 827 N THR A 56 15.336 -29.895 29.169 1.00 0.00 N ATOM 828 CA THR A 56 14.133 -29.803 28.351 1.00 0.00 C ATOM 829 C THR A 56 13.670 -28.357 28.214 1.00 0.00 C ATOM 830 O THR A 56 14.223 -27.456 28.845 1.00 0.00 O ATOM 831 CB THR A 56 12.986 -30.644 28.943 1.00 0.00 C ATOM 832 OG1 THR A 56 11.898 -30.711 28.015 1.00 0.00 O ATOM 833 CG2 THR A 56 12.501 -30.049 30.257 1.00 0.00 C ATOM 0 H THR A 56 15.426 -29.160 29.870 1.00 0.00 H new ATOM 0 HA THR A 56 14.390 -30.194 27.366 1.00 0.00 H new ATOM 0 HB THR A 56 13.363 -31.649 29.134 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.174 -31.249 28.398 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.691 -30.660 30.656 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.324 -30.026 30.972 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.140 -29.035 30.086 1.00 0.00 H new ATOM 841 N SER A 57 12.652 -28.143 27.387 1.00 0.00 N ATOM 842 CA SER A 57 12.116 -26.805 27.165 1.00 0.00 C ATOM 843 C SER A 57 11.786 -26.125 28.490 1.00 0.00 C ATOM 844 O SER A 57 11.856 -24.902 28.607 1.00 0.00 O ATOM 845 CB SER A 57 10.865 -26.872 26.287 1.00 0.00 C ATOM 846 OG SER A 57 10.734 -28.147 25.684 1.00 0.00 O ATOM 0 H SER A 57 12.182 -28.879 26.860 1.00 0.00 H new ATOM 0 HA SER A 57 12.878 -26.216 26.654 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.982 -26.659 26.889 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.917 -26.104 25.515 1.00 0.00 H new ATOM 0 HG SER A 57 9.926 -28.165 25.129 1.00 0.00 H new ATOM 852 N GLU A 58 11.425 -26.928 29.486 1.00 0.00 N ATOM 853 CA GLU A 58 11.082 -26.404 30.803 1.00 0.00 C ATOM 854 C GLU A 58 12.291 -25.739 31.455 1.00 0.00 C ATOM 855 O GLU A 58 12.172 -24.680 32.072 1.00 0.00 O ATOM 856 CB GLU A 58 10.557 -27.526 31.702 1.00 0.00 C ATOM 857 CG GLU A 58 9.316 -28.213 31.156 1.00 0.00 C ATOM 858 CD GLU A 58 8.318 -28.563 32.243 1.00 0.00 C ATOM 859 OE1 GLU A 58 8.686 -29.317 33.167 1.00 0.00 O ATOM 860 OE2 GLU A 58 7.168 -28.081 32.168 1.00 0.00 O ATOM 0 H GLU A 58 11.363 -27.943 29.406 1.00 0.00 H new ATOM 0 HA GLU A 58 10.301 -25.655 30.676 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.343 -28.269 31.838 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.332 -27.116 32.686 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.837 -27.562 30.424 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.610 -29.122 30.631 1.00 0.00 H new ATOM 867 N ASP A 59 13.452 -26.368 31.314 1.00 0.00 N ATOM 868 CA ASP A 59 14.683 -25.838 31.889 1.00 0.00 C ATOM 869 C ASP A 59 14.993 -24.454 31.327 1.00 0.00 C ATOM 870 O ASP A 59 15.486 -23.579 32.040 1.00 0.00 O ATOM 871 CB ASP A 59 15.850 -26.787 31.612 1.00 0.00 C ATOM 872 CG ASP A 59 17.198 -26.120 31.808 1.00 0.00 C ATOM 873 OD1 ASP A 59 17.356 -25.382 32.803 1.00 0.00 O ATOM 874 OD2 ASP A 59 18.094 -26.337 30.966 1.00 0.00 O ATOM 0 H ASP A 59 13.567 -27.245 30.807 1.00 0.00 H new ATOM 0 HA ASP A 59 14.544 -25.750 32.966 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.776 -27.651 32.272 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.777 -27.159 30.590 1.00 0.00 H new ATOM 879 N LEU A 60 14.702 -24.262 30.045 1.00 0.00 N ATOM 880 CA LEU A 60 14.950 -22.985 29.387 1.00 0.00 C ATOM 881 C LEU A 60 14.096 -21.880 30.002 1.00 0.00 C ATOM 882 O LEU A 60 14.569 -20.764 30.220 1.00 0.00 O ATOM 883 CB LEU A 60 14.659 -23.096 27.889 1.00 0.00 C ATOM 884 CG LEU A 60 15.201 -24.343 27.190 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.820 -24.339 25.718 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.712 -24.431 27.352 1.00 0.00 C ATOM 0 H LEU A 60 14.294 -24.975 29.441 1.00 0.00 H new ATOM 0 HA LEU A 60 16.000 -22.729 29.529 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.579 -23.064 27.746 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.072 -22.218 27.393 1.00 0.00 H new ATOM 0 HG LEU A 60 14.754 -25.221 27.657 1.00 0.00 H new ATOM 0 HD11 LEU A 60 15.215 -25.234 25.238 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.734 -24.325 25.623 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.238 -23.455 25.236 1.00 0.00 H new ATOM 0 HD21 LEU A 60 17.081 -25.325 26.848 1.00 0.00 H new ATOM 0 HD22 LEU A 60 17.177 -23.549 26.912 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.962 -24.483 28.412 1.00 0.00 H new ATOM 898 N LEU A 61 12.837 -22.199 30.281 1.00 0.00 N ATOM 899 CA LEU A 61 11.917 -21.235 30.873 1.00 0.00 C ATOM 900 C LEU A 61 12.217 -21.036 32.355 1.00 0.00 C ATOM 901 O LEU A 61 11.816 -20.036 32.951 1.00 0.00 O ATOM 902 CB LEU A 61 10.472 -21.701 30.692 1.00 0.00 C ATOM 903 CG LEU A 61 9.833 -21.396 29.336 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.395 -22.681 28.651 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.653 -20.449 29.503 1.00 0.00 C ATOM 0 H LEU A 61 12.430 -23.118 30.107 1.00 0.00 H new ATOM 0 HA LEU A 61 12.051 -20.281 30.362 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.436 -22.778 30.854 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.863 -21.241 31.470 1.00 0.00 H new ATOM 0 HG LEU A 61 10.578 -20.909 28.707 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.943 -22.444 27.688 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.261 -23.325 28.497 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.667 -23.197 29.277 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.211 -20.243 28.528 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.906 -20.909 30.150 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.996 -19.516 29.950 1.00 0.00 H new ATOM 917 N ARG A 62 12.926 -21.993 32.944 1.00 0.00 N ATOM 918 CA ARG A 62 13.280 -21.923 34.357 1.00 0.00 C ATOM 919 C ARG A 62 14.397 -20.909 34.587 1.00 0.00 C ATOM 920 O ARG A 62 14.378 -20.162 35.565 1.00 0.00 O ATOM 921 CB ARG A 62 13.714 -23.299 34.865 1.00 0.00 C ATOM 922 CG ARG A 62 12.574 -24.300 34.960 1.00 0.00 C ATOM 923 CD ARG A 62 12.092 -24.461 36.393 1.00 0.00 C ATOM 924 NE ARG A 62 10.997 -23.549 36.709 1.00 0.00 N ATOM 925 CZ ARG A 62 10.561 -23.322 37.943 1.00 0.00 C ATOM 926 NH1 ARG A 62 11.126 -23.939 38.972 1.00 0.00 N ATOM 927 NH2 ARG A 62 9.559 -22.477 38.150 1.00 0.00 N ATOM 0 H ARG A 62 13.267 -22.826 32.465 1.00 0.00 H new ATOM 0 HA ARG A 62 12.399 -21.600 34.911 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.481 -23.697 34.201 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.171 -23.187 35.848 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.746 -23.971 34.331 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.903 -25.265 34.575 1.00 0.00 H new ATOM 0 HD2 ARG A 62 11.765 -25.489 36.552 1.00 0.00 H new ATOM 0 HD3 ARG A 62 12.922 -24.281 37.077 1.00 0.00 H new ATOM 0 HE ARG A 62 10.541 -23.059 35.939 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.897 -24.589 38.816 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.790 -23.764 39.919 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.122 -22.001 37.361 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.225 -22.304 39.098 1.00 0.00 H new ATOM 941 N ILE A 63 15.368 -20.890 33.680 1.00 0.00 N ATOM 942 CA ILE A 63 16.492 -19.968 33.784 1.00 0.00 C ATOM 943 C ILE A 63 16.102 -18.570 33.315 1.00 0.00 C ATOM 944 O ILE A 63 16.661 -17.573 33.769 1.00 0.00 O ATOM 945 CB ILE A 63 17.698 -20.455 32.960 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.346 -20.493 31.472 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.147 -21.828 33.439 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.498 -20.917 30.588 1.00 0.00 C ATOM 0 H ILE A 63 15.399 -21.503 32.865 1.00 0.00 H new ATOM 0 HA ILE A 63 16.773 -19.931 34.837 1.00 0.00 H new ATOM 0 HB ILE A 63 18.522 -19.755 33.101 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.512 -21.179 31.322 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.006 -19.505 31.162 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.000 -22.159 32.847 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.434 -21.771 34.489 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.329 -22.539 33.325 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.175 -20.921 29.547 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.326 -20.218 30.709 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.824 -21.918 30.871 1.00 0.00 H new ATOM 960 N GLY A 64 15.136 -18.506 32.404 1.00 0.00 N ATOM 961 CA GLY A 64 14.685 -17.226 31.889 1.00 0.00 C ATOM 962 C GLY A 64 14.258 -17.302 30.437 1.00 0.00 C ATOM 963 O GLY A 64 13.306 -16.637 30.027 1.00 0.00 O ATOM 0 H GLY A 64 14.658 -19.318 32.013 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.850 -16.870 32.492 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.487 -16.494 31.991 1.00 0.00 H new ATOM 967 N ILE A 65 14.965 -18.113 29.656 1.00 0.00 N ATOM 968 CA ILE A 65 14.654 -18.273 28.241 1.00 0.00 C ATOM 969 C ILE A 65 13.183 -18.618 28.037 1.00 0.00 C ATOM 970 O ILE A 65 12.766 -19.758 28.244 1.00 0.00 O ATOM 971 CB ILE A 65 15.521 -19.369 27.594 1.00 0.00 C ATOM 972 CG1 ILE A 65 17.006 -19.035 27.754 1.00 0.00 C ATOM 973 CG2 ILE A 65 15.164 -19.528 26.124 1.00 0.00 C ATOM 974 CD1 ILE A 65 17.920 -20.217 27.521 1.00 0.00 C ATOM 0 H ILE A 65 15.757 -18.669 29.980 1.00 0.00 H new ATOM 0 HA ILE A 65 14.871 -17.319 27.761 1.00 0.00 H new ATOM 0 HB ILE A 65 15.323 -20.314 28.100 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.268 -18.240 27.056 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.177 -18.647 28.758 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.785 -20.306 25.681 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.114 -19.806 26.033 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.336 -18.586 25.604 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.957 -19.906 27.651 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.685 -21.005 28.236 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.778 -20.592 26.508 1.00 0.00 H new ATOM 986 N THR A 66 12.398 -17.626 27.628 1.00 0.00 N ATOM 987 CA THR A 66 10.973 -17.824 27.395 1.00 0.00 C ATOM 988 C THR A 66 10.588 -17.426 25.975 1.00 0.00 C ATOM 989 O THR A 66 9.406 -17.276 25.660 1.00 0.00 O ATOM 990 CB THR A 66 10.123 -17.014 28.392 1.00 0.00 C ATOM 991 OG1 THR A 66 10.432 -15.620 28.280 1.00 0.00 O ATOM 992 CG2 THR A 66 10.371 -17.481 29.818 1.00 0.00 C ATOM 0 H THR A 66 12.726 -16.676 27.451 1.00 0.00 H new ATOM 0 HA THR A 66 10.774 -18.886 27.538 1.00 0.00 H new ATOM 0 HB THR A 66 9.072 -17.173 28.152 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.886 -15.112 28.916 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.760 -16.895 30.504 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.107 -18.535 29.907 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.424 -17.349 30.066 1.00 0.00 H new ATOM 1000 N LEU A 67 11.591 -17.256 25.120 1.00 0.00 N ATOM 1001 CA LEU A 67 11.356 -16.876 23.732 1.00 0.00 C ATOM 1002 C LEU A 67 10.988 -18.092 22.889 1.00 0.00 C ATOM 1003 O LEU A 67 11.818 -18.969 22.650 1.00 0.00 O ATOM 1004 CB LEU A 67 12.598 -16.197 23.152 1.00 0.00 C ATOM 1005 CG LEU A 67 12.714 -14.691 23.393 1.00 0.00 C ATOM 1006 CD1 LEU A 67 11.697 -13.936 22.552 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.531 -14.372 24.870 1.00 0.00 C ATOM 0 H LEU A 67 12.574 -17.375 25.364 1.00 0.00 H new ATOM 0 HA LEU A 67 10.521 -16.175 23.709 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.481 -16.681 23.570 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.616 -16.375 22.077 1.00 0.00 H new ATOM 0 HG LEU A 67 13.712 -14.370 23.094 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.794 -12.866 22.737 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.875 -14.140 21.496 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.691 -14.260 22.819 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.617 -13.296 25.023 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.546 -14.708 25.195 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.299 -14.883 25.451 1.00 0.00 H new ATOM 1019 N ALA A 68 9.738 -18.138 22.439 1.00 0.00 N ATOM 1020 CA ALA A 68 9.260 -19.244 21.619 1.00 0.00 C ATOM 1021 C ALA A 68 10.153 -19.449 20.400 1.00 0.00 C ATOM 1022 O ALA A 68 10.455 -20.580 20.022 1.00 0.00 O ATOM 1023 CB ALA A 68 7.822 -19.000 21.188 1.00 0.00 C ATOM 0 H ALA A 68 9.038 -17.421 22.629 1.00 0.00 H new ATOM 0 HA ALA A 68 9.297 -20.152 22.221 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.479 -19.834 20.576 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.188 -18.912 22.070 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.767 -18.079 20.608 1.00 0.00 H new ATOM 1029 N GLY A 69 10.572 -18.346 19.787 1.00 0.00 N ATOM 1030 CA GLY A 69 11.425 -18.426 18.616 1.00 0.00 C ATOM 1031 C GLY A 69 12.834 -18.871 18.954 1.00 0.00 C ATOM 1032 O GLY A 69 13.571 -19.338 18.085 1.00 0.00 O ATOM 0 H GLY A 69 10.336 -17.398 20.081 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.989 -19.123 17.900 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.462 -17.451 18.130 1.00 0.00 H new ATOM 1036 N HIS A 70 13.211 -18.725 20.221 1.00 0.00 N ATOM 1037 CA HIS A 70 14.542 -19.114 20.672 1.00 0.00 C ATOM 1038 C HIS A 70 14.571 -20.586 21.074 1.00 0.00 C ATOM 1039 O HIS A 70 15.454 -21.335 20.657 1.00 0.00 O ATOM 1040 CB HIS A 70 14.980 -18.243 21.850 1.00 0.00 C ATOM 1041 CG HIS A 70 15.254 -16.820 21.473 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.813 -15.906 22.341 1.00 0.00 N ATOM 1043 CD2 HIS A 70 15.044 -16.155 20.312 1.00 0.00 C ATOM 1044 CE1 HIS A 70 15.933 -14.740 21.731 1.00 0.00 C ATOM 1045 NE2 HIS A 70 15.475 -14.865 20.499 1.00 0.00 N ATOM 0 H HIS A 70 12.613 -18.340 20.953 1.00 0.00 H new ATOM 0 HA HIS A 70 15.236 -18.968 19.844 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.204 -18.265 22.615 1.00 0.00 H new ATOM 0 HB3 HIS A 70 15.878 -18.672 22.294 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.617 -16.563 19.408 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.337 -13.838 22.166 1.00 0.00 H new ATOM 0 HE2 HIS A 70 15.446 -14.123 19.799 1.00 0.00 H new ATOM 1053 N GLN A 71 13.600 -20.992 21.885 1.00 0.00 N ATOM 1054 CA GLN A 71 13.516 -22.373 22.344 1.00 0.00 C ATOM 1055 C GLN A 71 13.526 -23.340 21.165 1.00 0.00 C ATOM 1056 O GLN A 71 14.081 -24.436 21.251 1.00 0.00 O ATOM 1057 CB GLN A 71 12.249 -22.580 23.177 1.00 0.00 C ATOM 1058 CG GLN A 71 12.320 -21.951 24.559 1.00 0.00 C ATOM 1059 CD GLN A 71 10.984 -21.960 25.274 1.00 0.00 C ATOM 1060 OE1 GLN A 71 10.842 -21.100 26.276 1.00 0.00 O flip ATOM 1061 NE2 GLN A 71 10.088 -22.733 24.930 1.00 0.00 N flip ATOM 0 H GLN A 71 12.861 -20.384 22.238 1.00 0.00 H new ATOM 0 HA GLN A 71 14.388 -22.576 22.965 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.398 -22.161 22.640 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.064 -23.649 23.283 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.053 -22.488 25.161 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.672 -20.923 24.469 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.240 -23.377 24.154 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.194 -22.728 25.421 1.00 0.00 H new ATOM 1070 N LYS A 72 12.909 -22.928 20.062 1.00 0.00 N ATOM 1071 CA LYS A 72 12.848 -23.757 18.864 1.00 0.00 C ATOM 1072 C LYS A 72 14.249 -24.091 18.361 1.00 0.00 C ATOM 1073 O LYS A 72 14.456 -25.109 17.700 1.00 0.00 O ATOM 1074 CB LYS A 72 12.057 -23.043 17.766 1.00 0.00 C ATOM 1075 CG LYS A 72 10.885 -23.851 17.237 1.00 0.00 C ATOM 1076 CD LYS A 72 9.637 -22.996 17.092 1.00 0.00 C ATOM 1077 CE LYS A 72 8.659 -23.239 18.232 1.00 0.00 C ATOM 1078 NZ LYS A 72 8.116 -24.626 18.210 1.00 0.00 N ATOM 0 H LYS A 72 12.444 -22.024 19.973 1.00 0.00 H new ATOM 0 HA LYS A 72 12.343 -24.688 19.121 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.687 -22.094 18.155 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.728 -22.809 16.940 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.146 -24.282 16.270 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.681 -24.682 17.912 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.917 -21.943 17.070 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.152 -23.217 16.141 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.159 -23.060 19.184 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.837 -22.526 18.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.184 -24.641 18.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.020 -24.946 17.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.764 -25.261 18.719 1.00 0.00 H new ATOM 1092 N LYS A 73 15.208 -23.228 18.680 1.00 0.00 N ATOM 1093 CA LYS A 73 16.590 -23.432 18.263 1.00 0.00 C ATOM 1094 C LYS A 73 17.354 -24.256 19.295 1.00 0.00 C ATOM 1095 O LYS A 73 18.054 -25.207 18.948 1.00 0.00 O ATOM 1096 CB LYS A 73 17.286 -22.085 18.054 1.00 0.00 C ATOM 1097 CG LYS A 73 18.666 -22.204 17.431 1.00 0.00 C ATOM 1098 CD LYS A 73 18.882 -21.156 16.351 1.00 0.00 C ATOM 1099 CE LYS A 73 19.761 -21.686 15.229 1.00 0.00 C ATOM 1100 NZ LYS A 73 19.420 -21.066 13.918 1.00 0.00 N ATOM 0 H LYS A 73 15.053 -22.381 19.226 1.00 0.00 H new ATOM 0 HA LYS A 73 16.581 -23.980 17.321 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.662 -21.458 17.417 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.373 -21.577 19.015 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.426 -22.093 18.204 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.789 -23.199 17.004 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.919 -20.846 15.945 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.343 -20.271 16.789 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.807 -21.489 15.463 1.00 0.00 H new ATOM 0 HE3 LYS A 73 19.648 -22.768 15.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.041 -21.453 13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.429 -21.275 13.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.552 -20.036 13.976 1.00 0.00 H new ATOM 1114 N ILE A 74 17.212 -23.886 20.563 1.00 0.00 N ATOM 1115 CA ILE A 74 17.887 -24.592 21.645 1.00 0.00 C ATOM 1116 C ILE A 74 17.452 -26.053 21.702 1.00 0.00 C ATOM 1117 O ILE A 74 18.272 -26.962 21.569 1.00 0.00 O ATOM 1118 CB ILE A 74 17.609 -23.932 23.008 1.00 0.00 C ATOM 1119 CG1 ILE A 74 18.066 -22.472 22.994 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.306 -24.701 24.121 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.712 -21.716 24.256 1.00 0.00 C ATOM 0 H ILE A 74 16.635 -23.101 20.866 1.00 0.00 H new ATOM 0 HA ILE A 74 18.956 -24.540 21.437 1.00 0.00 H new ATOM 0 HB ILE A 74 16.535 -23.955 23.195 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.146 -22.439 22.851 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.616 -21.967 22.139 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.100 -24.222 25.078 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.937 -25.726 24.141 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.381 -24.706 23.942 1.00 0.00 H new ATOM 0 HD11 ILE A 74 18.066 -20.688 24.176 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.630 -21.717 24.390 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.184 -22.197 25.113 1.00 0.00 H new ATOM 1133 N LEU A 75 16.156 -26.271 21.899 1.00 0.00 N ATOM 1134 CA LEU A 75 15.611 -27.622 21.972 1.00 0.00 C ATOM 1135 C LEU A 75 16.019 -28.441 20.752 1.00 0.00 C ATOM 1136 O LEU A 75 16.376 -29.613 20.869 1.00 0.00 O ATOM 1137 CB LEU A 75 14.086 -27.573 22.080 1.00 0.00 C ATOM 1138 CG LEU A 75 13.523 -27.000 23.382 1.00 0.00 C ATOM 1139 CD1 LEU A 75 12.055 -26.641 23.216 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.707 -27.990 24.523 1.00 0.00 C ATOM 0 H LEU A 75 15.464 -25.530 22.011 1.00 0.00 H new ATOM 0 HA LEU A 75 16.017 -28.103 22.862 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.702 -26.980 21.250 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.700 -28.585 21.955 1.00 0.00 H new ATOM 0 HG LEU A 75 14.073 -26.090 23.625 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.672 -26.235 24.152 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.950 -25.896 22.427 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.490 -27.534 22.949 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.301 -27.566 25.441 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.183 -28.917 24.289 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.769 -28.197 24.657 1.00 0.00 H new ATOM 1152 N ASN A 76 15.966 -27.815 19.581 1.00 0.00 N ATOM 1153 CA ASN A 76 16.332 -28.486 18.338 1.00 0.00 C ATOM 1154 C ASN A 76 17.773 -28.985 18.393 1.00 0.00 C ATOM 1155 O ASN A 76 18.132 -29.952 17.722 1.00 0.00 O ATOM 1156 CB ASN A 76 16.154 -27.537 17.151 1.00 0.00 C ATOM 1157 CG ASN A 76 14.794 -27.680 16.496 1.00 0.00 C ATOM 1158 OD1 ASN A 76 14.686 -27.734 15.271 1.00 0.00 O ATOM 1159 ND2 ASN A 76 13.748 -27.741 17.311 1.00 0.00 N ATOM 0 H ASN A 76 15.673 -26.845 19.466 1.00 0.00 H new ATOM 0 HA ASN A 76 15.674 -29.345 18.210 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.286 -26.509 17.488 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.932 -27.732 16.413 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.808 -27.837 16.928 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.885 -27.692 18.321 1.00 0.00 H new ATOM 1166 N SER A 77 18.594 -28.318 19.199 1.00 0.00 N ATOM 1167 CA SER A 77 19.996 -28.692 19.340 1.00 0.00 C ATOM 1168 C SER A 77 20.181 -29.689 20.480 1.00 0.00 C ATOM 1169 O SER A 77 20.936 -30.654 20.358 1.00 0.00 O ATOM 1170 CB SER A 77 20.854 -27.450 19.589 1.00 0.00 C ATOM 1171 OG SER A 77 22.096 -27.544 18.914 1.00 0.00 O ATOM 0 H SER A 77 18.312 -27.517 19.764 1.00 0.00 H new ATOM 0 HA SER A 77 20.315 -29.166 18.412 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.320 -26.562 19.252 1.00 0.00 H new ATOM 0 HB3 SER A 77 21.026 -27.332 20.659 1.00 0.00 H new ATOM 0 HG SER A 77 22.321 -26.675 18.520 1.00 0.00 H new ATOM 1177 N ILE A 78 19.487 -29.448 21.586 1.00 0.00 N ATOM 1178 CA ILE A 78 19.573 -30.324 22.748 1.00 0.00 C ATOM 1179 C ILE A 78 19.028 -31.713 22.431 1.00 0.00 C ATOM 1180 O ILE A 78 19.624 -32.725 22.799 1.00 0.00 O ATOM 1181 CB ILE A 78 18.802 -29.745 23.949 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.350 -28.364 24.316 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.889 -30.688 25.139 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.524 -27.644 25.359 1.00 0.00 C ATOM 0 H ILE A 78 18.858 -28.653 21.703 1.00 0.00 H new ATOM 0 HA ILE A 78 20.629 -30.400 23.007 1.00 0.00 H new ATOM 0 HB ILE A 78 17.753 -29.638 23.671 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.370 -28.473 24.684 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.399 -27.751 23.416 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.339 -30.265 25.980 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.457 -31.652 24.871 1.00 0.00 H new ATOM 0 HG23 ILE A 78 19.933 -30.824 25.420 1.00 0.00 H new ATOM 0 HD11 ILE A 78 18.971 -26.673 25.570 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.509 -27.503 24.986 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.496 -28.237 26.273 1.00 0.00 H new ATOM 1196 N HIS A 79 17.890 -31.753 21.743 1.00 0.00 N ATOM 1197 CA HIS A 79 17.265 -33.018 21.374 1.00 0.00 C ATOM 1198 C HIS A 79 18.197 -33.848 20.496 1.00 0.00 C ATOM 1199 O HIS A 79 18.274 -35.069 20.636 1.00 0.00 O ATOM 1200 CB HIS A 79 15.947 -32.765 20.642 1.00 0.00 C ATOM 1201 CG HIS A 79 14.917 -33.826 20.878 1.00 0.00 C ATOM 1202 ND1 HIS A 79 13.588 -33.673 20.545 1.00 0.00 N ATOM 1203 CD2 HIS A 79 15.028 -35.063 21.417 1.00 0.00 C ATOM 1204 CE1 HIS A 79 12.925 -34.768 20.870 1.00 0.00 C ATOM 1205 NE2 HIS A 79 13.777 -35.628 21.400 1.00 0.00 N ATOM 0 H HIS A 79 17.383 -30.925 21.431 1.00 0.00 H new ATOM 0 HA HIS A 79 17.063 -33.576 22.288 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.544 -31.803 20.958 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.143 -32.692 19.572 1.00 0.00 H new ATOM 0 HD2 HIS A 79 15.932 -35.520 21.791 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.867 -34.933 20.727 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.543 -36.560 21.741 1.00 0.00 H new ATOM 1213 N SER A 80 18.902 -33.178 19.590 1.00 0.00 N ATOM 1214 CA SER A 80 19.825 -33.854 18.686 1.00 0.00 C ATOM 1215 C SER A 80 21.147 -34.156 19.385 1.00 0.00 C ATOM 1216 O SER A 80 21.853 -35.096 19.022 1.00 0.00 O ATOM 1217 CB SER A 80 20.076 -32.997 17.444 1.00 0.00 C ATOM 1218 OG SER A 80 19.151 -33.307 16.416 1.00 0.00 O ATOM 0 H SER A 80 18.852 -32.167 19.463 1.00 0.00 H new ATOM 0 HA SER A 80 19.371 -34.797 18.382 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.995 -31.942 17.704 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.092 -33.160 17.085 1.00 0.00 H new ATOM 0 HG SER A 80 19.331 -32.745 15.634 1.00 0.00 H new ATOM 1224 N MET A 81 21.475 -33.350 20.390 1.00 0.00 N ATOM 1225 CA MET A 81 22.711 -33.531 21.142 1.00 0.00 C ATOM 1226 C MET A 81 22.665 -34.814 21.965 1.00 0.00 C ATOM 1227 O MET A 81 23.534 -35.676 21.837 1.00 0.00 O ATOM 1228 CB MET A 81 22.956 -32.331 22.059 1.00 0.00 C ATOM 1229 CG MET A 81 24.136 -31.472 21.635 1.00 0.00 C ATOM 1230 SD MET A 81 24.924 -30.639 23.026 1.00 0.00 S ATOM 1231 CE MET A 81 23.755 -29.319 23.338 1.00 0.00 C ATOM 0 H MET A 81 20.902 -32.566 20.702 1.00 0.00 H new ATOM 0 HA MET A 81 23.532 -33.608 20.429 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.058 -31.714 22.083 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.124 -32.689 23.075 1.00 0.00 H new ATOM 0 HG2 MET A 81 24.871 -32.096 21.127 1.00 0.00 H new ATOM 0 HG3 MET A 81 23.798 -30.727 20.915 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.266 -28.358 23.275 1.00 0.00 H new ATOM 0 HE2 MET A 81 22.958 -29.356 22.595 1.00 0.00 H new ATOM 0 HE3 MET A 81 23.329 -29.438 24.334 1.00 0.00 H new ATOM 1241 N ARG A 82 21.646 -34.933 22.810 1.00 0.00 N ATOM 1242 CA ARG A 82 21.488 -36.111 23.655 1.00 0.00 C ATOM 1243 C ARG A 82 21.523 -37.388 22.820 1.00 0.00 C ATOM 1244 O ARG A 82 22.146 -38.377 23.206 1.00 0.00 O ATOM 1245 CB ARG A 82 20.172 -36.034 24.432 1.00 0.00 C ATOM 1246 CG ARG A 82 18.952 -35.839 23.547 1.00 0.00 C ATOM 1247 CD ARG A 82 17.789 -35.246 24.326 1.00 0.00 C ATOM 1248 NE ARG A 82 17.301 -36.155 25.360 1.00 0.00 N ATOM 1249 CZ ARG A 82 16.383 -35.820 26.259 1.00 0.00 C ATOM 1250 NH1 ARG A 82 15.855 -34.604 26.251 1.00 0.00 N ATOM 1251 NH2 ARG A 82 15.991 -36.703 27.169 1.00 0.00 N ATOM 0 H ARG A 82 20.918 -34.229 22.928 1.00 0.00 H new ATOM 0 HA ARG A 82 22.319 -36.135 24.360 1.00 0.00 H new ATOM 0 HB2 ARG A 82 20.048 -36.949 25.011 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.228 -35.211 25.145 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.206 -35.183 22.714 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.655 -36.796 23.119 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.102 -34.309 24.786 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.976 -35.009 23.639 1.00 0.00 H new ATOM 0 HE ARG A 82 17.687 -37.099 25.393 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.154 -33.923 25.553 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.150 -34.350 26.943 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.395 -37.640 27.178 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.286 -36.445 27.859 1.00 0.00 H new