USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=15 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 151:sc= -1.28 (180deg=-1.61) USER MOD Set 1.2: A 36 GLN : amide:sc= -0.0035 X(o=0.51,f=0.34) USER MOD Set 1.3: A 37 TYR OH : rot 147:sc= 0.925 USER MOD Set 1.4: A 70 HIS : no HD1:sc= 0.869 K(o=0.51,f=-8.6!) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.13 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.152 USER MOD Single : A 30 SER OG : rot -43:sc= 0.00224 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 160:sc= -0.236 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= -0.0399 X(o=-0.04,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.000729 USER MOD Single : A 54 GLN : amide:sc=-0.00933 K(o=-0.0093,f=-1.2) USER MOD Single : A 55 MET CE :methyl -111:sc= -0.173 (180deg=-3.18!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.00903 K(o=0.009,f=-1.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.956 K(o=-0.96,f=-1.5) USER MOD Single : A 77 SER OG : rot 140:sc= 0.247 USER MOD Single : A 79 HIS : no HD1:sc= -0.349 X(o=-0.35,f=0.0036) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -117:sc= -2.97! (180deg=-5.73!) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 28.996 -24.814 27.427 1.00 0.00 N ATOM 331 CA VAL A 25 27.755 -24.207 26.959 1.00 0.00 C ATOM 332 C VAL A 25 28.024 -22.892 26.237 1.00 0.00 C ATOM 333 O VAL A 25 27.303 -22.522 25.311 1.00 0.00 O ATOM 334 CB VAL A 25 26.782 -23.951 28.125 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.509 -23.287 27.622 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.465 -25.250 28.850 1.00 0.00 C ATOM 0 HA VAL A 25 27.300 -24.912 26.264 1.00 0.00 H new ATOM 0 HB VAL A 25 27.261 -23.275 28.833 1.00 0.00 H new ATOM 0 HG11 VAL A 25 24.833 -23.114 28.460 1.00 0.00 H new ATOM 0 HG12 VAL A 25 25.756 -22.335 27.153 1.00 0.00 H new ATOM 0 HG13 VAL A 25 25.024 -23.936 26.893 1.00 0.00 H new ATOM 0 HG21 VAL A 25 25.776 -25.050 29.671 1.00 0.00 H new ATOM 0 HG22 VAL A 25 26.006 -25.952 28.154 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.385 -25.680 29.245 1.00 0.00 H new ATOM 346 N ASP A 26 29.067 -22.190 26.667 1.00 0.00 N ATOM 347 CA ASP A 26 29.433 -20.916 26.061 1.00 0.00 C ATOM 348 C ASP A 26 29.774 -21.094 24.585 1.00 0.00 C ATOM 349 O ASP A 26 29.488 -20.224 23.762 1.00 0.00 O ATOM 350 CB ASP A 26 30.621 -20.298 26.800 1.00 0.00 C ATOM 351 CG ASP A 26 30.470 -20.375 28.306 1.00 0.00 C ATOM 352 OD1 ASP A 26 29.318 -20.441 28.784 1.00 0.00 O ATOM 353 OD2 ASP A 26 31.504 -20.370 29.008 1.00 0.00 O ATOM 0 H ASP A 26 29.674 -22.482 27.433 1.00 0.00 H new ATOM 0 HA ASP A 26 28.577 -20.246 26.140 1.00 0.00 H new ATOM 0 HB2 ASP A 26 31.536 -20.810 26.503 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.728 -19.255 26.501 1.00 0.00 H new ATOM 358 N ASP A 27 30.387 -22.226 24.257 1.00 0.00 N ATOM 359 CA ASP A 27 30.766 -22.519 22.880 1.00 0.00 C ATOM 360 C ASP A 27 29.552 -22.945 22.060 1.00 0.00 C ATOM 361 O ASP A 27 29.304 -22.412 20.979 1.00 0.00 O ATOM 362 CB ASP A 27 31.832 -23.616 22.844 1.00 0.00 C ATOM 363 CG ASP A 27 32.786 -23.459 21.677 1.00 0.00 C ATOM 364 OD1 ASP A 27 32.399 -23.810 20.542 1.00 0.00 O ATOM 365 OD2 ASP A 27 33.920 -22.985 21.898 1.00 0.00 O ATOM 0 H ASP A 27 30.632 -22.956 24.926 1.00 0.00 H new ATOM 0 HA ASP A 27 31.177 -21.609 22.441 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.397 -23.600 23.776 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.345 -24.589 22.783 1.00 0.00 H new ATOM 370 N TRP A 28 28.801 -23.908 22.582 1.00 0.00 N ATOM 371 CA TRP A 28 27.613 -24.406 21.898 1.00 0.00 C ATOM 372 C TRP A 28 26.678 -23.261 21.528 1.00 0.00 C ATOM 373 O TRP A 28 26.323 -23.087 20.362 1.00 0.00 O ATOM 374 CB TRP A 28 26.879 -25.418 22.779 1.00 0.00 C ATOM 375 CG TRP A 28 25.475 -25.689 22.329 1.00 0.00 C ATOM 376 CD1 TRP A 28 25.071 -26.037 21.072 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.291 -25.632 23.132 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.706 -26.200 21.045 1.00 0.00 N ATOM 379 CE2 TRP A 28 23.205 -25.958 22.297 1.00 0.00 C ATOM 380 CE3 TRP A 28 24.043 -25.340 24.476 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.894 -25.998 22.763 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.741 -25.379 24.937 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.680 -25.707 24.083 1.00 0.00 C ATOM 0 H TRP A 28 28.993 -24.359 23.476 1.00 0.00 H new ATOM 0 HA TRP A 28 27.932 -24.899 20.980 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.437 -26.354 22.787 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.859 -25.049 23.805 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.727 -26.165 20.224 1.00 0.00 H new ATOM 0 HE1 TRP A 28 23.156 -26.459 20.226 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.855 -25.088 25.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.075 -26.250 22.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.538 -25.153 25.973 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.674 -25.731 24.474 1.00 0.00 H new ATOM 394 N LEU A 29 26.281 -22.481 22.528 1.00 0.00 N ATOM 395 CA LEU A 29 25.385 -21.351 22.308 1.00 0.00 C ATOM 396 C LEU A 29 25.958 -20.398 21.262 1.00 0.00 C ATOM 397 O LEU A 29 25.220 -19.827 20.459 1.00 0.00 O ATOM 398 CB LEU A 29 25.145 -20.601 23.620 1.00 0.00 C ATOM 399 CG LEU A 29 24.385 -21.369 24.701 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.143 -20.484 25.914 1.00 0.00 C ATOM 401 CD2 LEU A 29 23.068 -21.899 24.154 1.00 0.00 C ATOM 0 H LEU A 29 26.566 -22.611 23.499 1.00 0.00 H new ATOM 0 HA LEU A 29 24.435 -21.739 21.940 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.111 -20.301 24.026 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.595 -19.686 23.397 1.00 0.00 H new ATOM 0 HG LEU A 29 24.994 -22.218 25.012 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.601 -21.048 26.673 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.099 -20.154 26.321 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.555 -19.615 25.619 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.541 -22.443 24.938 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.453 -21.065 23.815 1.00 0.00 H new ATOM 0 HD23 LEU A 29 23.265 -22.569 23.317 1.00 0.00 H new ATOM 413 N SER A 30 27.277 -20.235 21.278 1.00 0.00 N ATOM 414 CA SER A 30 27.948 -19.351 20.332 1.00 0.00 C ATOM 415 C SER A 30 27.902 -19.929 18.921 1.00 0.00 C ATOM 416 O SER A 30 28.103 -19.215 17.939 1.00 0.00 O ATOM 417 CB SER A 30 29.400 -19.124 20.756 1.00 0.00 C ATOM 418 OG SER A 30 29.942 -17.976 20.126 1.00 0.00 O ATOM 0 H SER A 30 27.902 -20.703 21.935 1.00 0.00 H new ATOM 0 HA SER A 30 27.424 -18.395 20.331 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.452 -19.007 21.838 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.998 -19.999 20.501 1.00 0.00 H new ATOM 0 HG SER A 30 29.683 -17.968 19.181 1.00 0.00 H new ATOM 424 N ALA A 31 27.638 -21.228 18.829 1.00 0.00 N ATOM 425 CA ALA A 31 27.564 -21.904 17.540 1.00 0.00 C ATOM 426 C ALA A 31 26.148 -21.856 16.976 1.00 0.00 C ATOM 427 O ALA A 31 25.906 -22.276 15.843 1.00 0.00 O ATOM 428 CB ALA A 31 28.034 -23.345 17.671 1.00 0.00 C ATOM 0 H ALA A 31 27.472 -21.834 19.633 1.00 0.00 H new ATOM 0 HA ALA A 31 28.222 -21.382 16.845 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.973 -23.837 16.700 1.00 0.00 H new ATOM 0 HB2 ALA A 31 29.066 -23.361 18.022 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.400 -23.871 18.385 1.00 0.00 H new ATOM 434 N ILE A 32 25.215 -21.344 17.772 1.00 0.00 N ATOM 435 CA ILE A 32 23.824 -21.242 17.351 1.00 0.00 C ATOM 436 C ILE A 32 23.321 -19.806 17.456 1.00 0.00 C ATOM 437 O ILE A 32 22.123 -19.546 17.341 1.00 0.00 O ATOM 438 CB ILE A 32 22.913 -22.156 18.192 1.00 0.00 C ATOM 439 CG1 ILE A 32 23.212 -21.978 19.682 1.00 0.00 C ATOM 440 CG2 ILE A 32 23.093 -23.609 17.780 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.348 -22.837 20.579 1.00 0.00 C ATOM 0 H ILE A 32 25.398 -20.993 18.712 1.00 0.00 H new ATOM 0 HA ILE A 32 23.785 -21.562 16.310 1.00 0.00 H new ATOM 0 HB ILE A 32 21.875 -21.874 18.012 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.260 -22.216 19.865 1.00 0.00 H new ATOM 0 HG13 ILE A 32 23.071 -20.931 19.950 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.442 -24.242 18.384 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.835 -23.723 16.727 1.00 0.00 H new ATOM 0 HG23 ILE A 32 24.131 -23.905 17.933 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.615 -22.659 21.621 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.299 -22.584 20.425 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.506 -23.888 20.339 1.00 0.00 H new ATOM 453 N LYS A 33 24.245 -18.877 17.673 1.00 0.00 N ATOM 454 CA LYS A 33 23.899 -17.465 17.790 1.00 0.00 C ATOM 455 C LYS A 33 23.083 -17.208 19.054 1.00 0.00 C ATOM 456 O LYS A 33 22.503 -16.136 19.221 1.00 0.00 O ATOM 457 CB LYS A 33 23.111 -17.009 16.560 1.00 0.00 C ATOM 458 CG LYS A 33 23.683 -17.516 15.248 1.00 0.00 C ATOM 459 CD LYS A 33 23.807 -16.399 14.225 1.00 0.00 C ATOM 460 CE LYS A 33 23.462 -16.885 12.825 1.00 0.00 C ATOM 461 NZ LYS A 33 23.196 -15.753 11.895 1.00 0.00 N ATOM 0 H LYS A 33 25.240 -19.076 17.772 1.00 0.00 H new ATOM 0 HA LYS A 33 24.825 -16.893 17.854 1.00 0.00 H new ATOM 0 HB2 LYS A 33 22.080 -17.350 16.653 1.00 0.00 H new ATOM 0 HB3 LYS A 33 23.086 -15.920 16.539 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.663 -17.959 15.424 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.043 -18.304 14.852 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.145 -15.578 14.500 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.824 -16.006 14.235 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.283 -17.488 12.437 1.00 0.00 H new ATOM 0 HE3 LYS A 33 22.585 -17.531 12.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.965 -16.125 10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.396 -15.192 12.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.041 -15.150 11.831 1.00 0.00 H new ATOM 475 N MET A 34 23.046 -18.198 19.939 1.00 0.00 N ATOM 476 CA MET A 34 22.303 -18.077 21.189 1.00 0.00 C ATOM 477 C MET A 34 23.251 -17.863 22.365 1.00 0.00 C ATOM 478 O MET A 34 22.904 -18.144 23.513 1.00 0.00 O ATOM 479 CB MET A 34 21.453 -19.327 21.425 1.00 0.00 C ATOM 480 CG MET A 34 20.575 -19.697 20.240 1.00 0.00 C ATOM 481 SD MET A 34 19.470 -18.358 19.750 1.00 0.00 S ATOM 482 CE MET A 34 18.298 -18.374 21.105 1.00 0.00 C ATOM 0 H MET A 34 23.521 -19.092 19.815 1.00 0.00 H new ATOM 0 HA MET A 34 21.647 -17.210 21.111 1.00 0.00 H new ATOM 0 HB2 MET A 34 22.110 -20.165 21.656 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.821 -19.167 22.299 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.207 -19.969 19.395 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.984 -20.577 20.492 1.00 0.00 H new ATOM 0 HE1 MET A 34 17.896 -17.371 21.250 1.00 0.00 H new ATOM 0 HE2 MET A 34 17.484 -19.061 20.874 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.800 -18.699 22.016 1.00 0.00 H new ATOM 492 N VAL A 35 24.448 -17.366 22.073 1.00 0.00 N ATOM 493 CA VAL A 35 25.445 -17.113 23.106 1.00 0.00 C ATOM 494 C VAL A 35 24.909 -16.154 24.163 1.00 0.00 C ATOM 495 O VAL A 35 25.400 -16.122 25.291 1.00 0.00 O ATOM 496 CB VAL A 35 26.739 -16.531 22.508 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.667 -15.012 22.458 1.00 0.00 C ATOM 498 CG2 VAL A 35 27.949 -16.990 23.308 1.00 0.00 C ATOM 0 H VAL A 35 24.751 -17.130 21.128 1.00 0.00 H new ATOM 0 HA VAL A 35 25.670 -18.073 23.571 1.00 0.00 H new ATOM 0 HB VAL A 35 26.846 -16.900 21.488 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.590 -14.618 22.033 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.823 -14.708 21.839 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.536 -14.621 23.467 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.855 -16.569 22.871 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.853 -16.652 24.340 1.00 0.00 H new ATOM 0 HG23 VAL A 35 28.008 -18.078 23.287 1.00 0.00 H new ATOM 508 N GLN A 36 23.900 -15.374 23.790 1.00 0.00 N ATOM 509 CA GLN A 36 23.298 -14.414 24.707 1.00 0.00 C ATOM 510 C GLN A 36 22.825 -15.101 25.983 1.00 0.00 C ATOM 511 O GLN A 36 22.727 -14.474 27.038 1.00 0.00 O ATOM 512 CB GLN A 36 22.124 -13.700 24.033 1.00 0.00 C ATOM 513 CG GLN A 36 20.947 -14.615 23.734 1.00 0.00 C ATOM 514 CD GLN A 36 19.838 -13.910 22.979 1.00 0.00 C ATOM 515 OE1 GLN A 36 19.489 -12.770 23.286 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.277 -14.586 21.983 1.00 0.00 N ATOM 0 H GLN A 36 23.482 -15.388 22.860 1.00 0.00 H new ATOM 0 HA GLN A 36 24.058 -13.679 24.973 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.787 -12.886 24.675 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.469 -13.250 23.102 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.294 -15.468 23.150 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.551 -15.009 24.670 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.597 -15.529 21.763 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.526 -14.162 21.438 1.00 0.00 H new ATOM 525 N TYR A 37 22.534 -16.393 25.880 1.00 0.00 N ATOM 526 CA TYR A 37 22.069 -17.166 27.026 1.00 0.00 C ATOM 527 C TYR A 37 23.206 -17.987 27.627 1.00 0.00 C ATOM 528 O TYR A 37 22.977 -19.038 28.226 1.00 0.00 O ATOM 529 CB TYR A 37 20.921 -18.089 26.613 1.00 0.00 C ATOM 530 CG TYR A 37 19.712 -17.351 26.084 1.00 0.00 C ATOM 531 CD1 TYR A 37 19.052 -16.410 26.865 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.228 -17.597 24.805 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.946 -15.734 26.386 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.124 -16.925 24.318 1.00 0.00 C ATOM 535 CZ TYR A 37 17.486 -15.995 25.112 1.00 0.00 C ATOM 536 OH TYR A 37 16.385 -15.324 24.631 1.00 0.00 O ATOM 0 H TYR A 37 22.612 -16.927 25.015 1.00 0.00 H new ATOM 0 HA TYR A 37 21.711 -16.467 27.782 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.278 -18.780 25.849 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.622 -18.690 27.472 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.409 -16.204 27.863 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.724 -18.326 24.181 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.445 -15.005 27.006 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.762 -17.127 23.321 1.00 0.00 H new ATOM 0 HH TYR A 37 16.482 -15.187 23.665 1.00 0.00 H new ATOM 546 N ARG A 38 24.431 -17.499 27.463 1.00 0.00 N ATOM 547 CA ARG A 38 25.604 -18.186 27.988 1.00 0.00 C ATOM 548 C ARG A 38 25.667 -18.070 29.508 1.00 0.00 C ATOM 549 O ARG A 38 26.243 -18.924 30.183 1.00 0.00 O ATOM 550 CB ARG A 38 26.879 -17.611 27.368 1.00 0.00 C ATOM 551 CG ARG A 38 27.154 -16.171 27.768 1.00 0.00 C ATOM 552 CD ARG A 38 28.587 -15.770 27.455 1.00 0.00 C ATOM 553 NE ARG A 38 28.705 -15.138 26.143 1.00 0.00 N ATOM 554 CZ ARG A 38 28.419 -13.861 25.914 1.00 0.00 C ATOM 555 NH1 ARG A 38 28.002 -13.084 26.904 1.00 0.00 N ATOM 556 NH2 ARG A 38 28.551 -13.360 24.693 1.00 0.00 N ATOM 0 H ARG A 38 24.637 -16.630 26.970 1.00 0.00 H new ATOM 0 HA ARG A 38 25.524 -19.241 27.724 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.727 -18.229 27.662 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.803 -17.670 26.282 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.466 -15.509 27.242 1.00 0.00 H new ATOM 0 HG3 ARG A 38 26.965 -16.046 28.834 1.00 0.00 H new ATOM 0 HD2 ARG A 38 28.947 -15.084 28.222 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.226 -16.652 27.491 1.00 0.00 H new ATOM 0 HE ARG A 38 29.024 -15.708 25.360 1.00 0.00 H new ATOM 0 HH11 ARG A 38 27.900 -13.466 27.844 1.00 0.00 H new ATOM 0 HH12 ARG A 38 27.783 -12.104 26.726 1.00 0.00 H new ATOM 0 HH21 ARG A 38 28.872 -13.955 23.929 1.00 0.00 H new ATOM 0 HH22 ARG A 38 28.331 -12.380 24.518 1.00 0.00 H new ATOM 570 N ASP A 39 25.072 -17.008 30.040 1.00 0.00 N ATOM 571 CA ASP A 39 25.060 -16.780 31.481 1.00 0.00 C ATOM 572 C ASP A 39 23.866 -17.472 32.131 1.00 0.00 C ATOM 573 O ASP A 39 23.932 -17.889 33.287 1.00 0.00 O ATOM 574 CB ASP A 39 25.022 -15.280 31.780 1.00 0.00 C ATOM 575 CG ASP A 39 26.403 -14.702 32.017 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.276 -14.874 31.141 1.00 0.00 O ATOM 577 OD2 ASP A 39 26.611 -14.077 33.079 1.00 0.00 O ATOM 0 H ASP A 39 24.592 -16.291 29.496 1.00 0.00 H new ATOM 0 HA ASP A 39 25.973 -17.203 31.899 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.551 -14.758 30.947 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.402 -15.103 32.659 1.00 0.00 H new ATOM 582 N SER A 40 22.776 -17.589 31.380 1.00 0.00 N ATOM 583 CA SER A 40 21.565 -18.226 31.885 1.00 0.00 C ATOM 584 C SER A 40 21.847 -19.662 32.317 1.00 0.00 C ATOM 585 O SER A 40 21.415 -20.097 33.385 1.00 0.00 O ATOM 586 CB SER A 40 20.471 -18.208 30.816 1.00 0.00 C ATOM 587 OG SER A 40 19.185 -18.108 31.403 1.00 0.00 O ATOM 0 H SER A 40 22.706 -17.251 30.420 1.00 0.00 H new ATOM 0 HA SER A 40 21.223 -17.664 32.754 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.632 -17.368 30.141 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.530 -19.116 30.215 1.00 0.00 H new ATOM 0 HG SER A 40 18.546 -17.781 30.736 1.00 0.00 H new ATOM 593 N PHE A 41 22.574 -20.393 31.479 1.00 0.00 N ATOM 594 CA PHE A 41 22.913 -21.781 31.773 1.00 0.00 C ATOM 595 C PHE A 41 24.045 -21.860 32.793 1.00 0.00 C ATOM 596 O PHE A 41 24.008 -22.674 33.717 1.00 0.00 O ATOM 597 CB PHE A 41 23.315 -22.512 30.490 1.00 0.00 C ATOM 598 CG PHE A 41 22.164 -22.767 29.560 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.197 -23.708 29.875 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.049 -22.065 28.371 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.138 -23.945 29.020 1.00 0.00 C ATOM 602 CE2 PHE A 41 20.991 -22.298 27.512 1.00 0.00 C ATOM 603 CZ PHE A 41 20.034 -23.239 27.837 1.00 0.00 C ATOM 0 H PHE A 41 22.940 -20.048 30.591 1.00 0.00 H new ATOM 0 HA PHE A 41 22.032 -22.263 32.197 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.070 -21.924 29.968 1.00 0.00 H new ATOM 0 HB3 PHE A 41 23.777 -23.464 30.753 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.272 -24.262 30.799 1.00 0.00 H new ATOM 0 HD2 PHE A 41 22.794 -21.327 28.112 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.391 -24.682 29.276 1.00 0.00 H new ATOM 0 HE2 PHE A 41 20.913 -21.745 26.588 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.206 -23.423 27.168 1.00 0.00 H new ATOM 613 N LEU A 42 25.051 -21.009 32.619 1.00 0.00 N ATOM 614 CA LEU A 42 26.195 -20.981 33.523 1.00 0.00 C ATOM 615 C LEU A 42 25.742 -20.807 34.970 1.00 0.00 C ATOM 616 O LEU A 42 25.960 -21.681 35.810 1.00 0.00 O ATOM 617 CB LEU A 42 27.149 -19.850 33.136 1.00 0.00 C ATOM 618 CG LEU A 42 28.156 -20.171 32.031 1.00 0.00 C ATOM 619 CD1 LEU A 42 28.836 -18.901 31.544 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.188 -21.174 32.524 1.00 0.00 C ATOM 0 H LEU A 42 25.097 -20.329 31.860 1.00 0.00 H new ATOM 0 HA LEU A 42 26.717 -21.934 33.437 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.555 -18.992 32.821 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.700 -19.546 34.026 1.00 0.00 H new ATOM 0 HG LEU A 42 27.618 -20.616 31.194 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.549 -19.149 30.758 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.086 -18.215 31.151 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.361 -18.428 32.374 1.00 0.00 H new ATOM 0 HD21 LEU A 42 29.896 -21.390 31.724 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.722 -20.757 33.378 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.687 -22.094 32.824 1.00 0.00 H new ATOM 632 N THR A 43 25.108 -19.674 35.253 1.00 0.00 N ATOM 633 CA THR A 43 24.623 -19.385 36.597 1.00 0.00 C ATOM 634 C THR A 43 23.665 -20.468 37.080 1.00 0.00 C ATOM 635 O THR A 43 23.584 -20.750 38.275 1.00 0.00 O ATOM 636 CB THR A 43 23.910 -18.021 36.656 1.00 0.00 C ATOM 637 OG1 THR A 43 23.635 -17.670 38.016 1.00 0.00 O ATOM 638 CG2 THR A 43 22.611 -18.054 35.863 1.00 0.00 C ATOM 0 H THR A 43 24.918 -18.941 34.569 1.00 0.00 H new ATOM 0 HA THR A 43 25.496 -19.358 37.249 1.00 0.00 H new ATOM 0 HB THR A 43 24.568 -17.273 36.214 1.00 0.00 H new ATOM 0 HG1 THR A 43 23.183 -16.801 38.045 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.125 -17.080 35.919 1.00 0.00 H new ATOM 0 HG22 THR A 43 22.827 -18.292 34.821 1.00 0.00 H new ATOM 0 HG23 THR A 43 21.950 -18.814 36.280 1.00 0.00 H new ATOM 646 N ALA A 44 22.941 -21.071 36.143 1.00 0.00 N ATOM 647 CA ALA A 44 21.990 -22.126 36.474 1.00 0.00 C ATOM 648 C ALA A 44 22.709 -23.384 36.950 1.00 0.00 C ATOM 649 O ALA A 44 22.116 -24.238 37.607 1.00 0.00 O ATOM 650 CB ALA A 44 21.111 -22.440 35.273 1.00 0.00 C ATOM 0 H ALA A 44 22.994 -20.847 35.149 1.00 0.00 H new ATOM 0 HA ALA A 44 21.359 -21.770 37.288 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.406 -23.229 35.534 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.562 -21.545 34.980 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.734 -22.771 34.442 1.00 0.00 H new ATOM 656 N GLY A 45 23.990 -23.491 36.612 1.00 0.00 N ATOM 657 CA GLY A 45 24.769 -24.649 37.012 1.00 0.00 C ATOM 658 C GLY A 45 25.153 -25.524 35.836 1.00 0.00 C ATOM 659 O GLY A 45 26.058 -26.352 35.938 1.00 0.00 O ATOM 0 H GLY A 45 24.503 -22.797 36.068 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.672 -24.316 37.523 1.00 0.00 H new ATOM 0 HA3 GLY A 45 24.196 -25.239 37.728 1.00 0.00 H new ATOM 663 N PHE A 46 24.462 -25.343 34.715 1.00 0.00 N ATOM 664 CA PHE A 46 24.734 -26.124 33.514 1.00 0.00 C ATOM 665 C PHE A 46 25.968 -25.596 32.789 1.00 0.00 C ATOM 666 O PHE A 46 25.859 -24.898 31.780 1.00 0.00 O ATOM 667 CB PHE A 46 23.526 -26.095 32.576 1.00 0.00 C ATOM 668 CG PHE A 46 22.220 -26.346 33.274 1.00 0.00 C ATOM 669 CD1 PHE A 46 21.964 -27.567 33.876 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.247 -25.360 33.328 1.00 0.00 C ATOM 671 CE1 PHE A 46 20.762 -27.801 34.518 1.00 0.00 C ATOM 672 CE2 PHE A 46 20.044 -25.588 33.969 1.00 0.00 C ATOM 673 CZ PHE A 46 19.802 -26.809 34.565 1.00 0.00 C ATOM 0 H PHE A 46 23.709 -24.662 34.613 1.00 0.00 H new ATOM 0 HA PHE A 46 24.925 -27.154 33.817 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.484 -25.125 32.081 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.663 -26.845 31.797 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.712 -28.345 33.844 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.431 -24.402 32.864 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.574 -28.758 34.982 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.294 -24.812 34.003 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.863 -26.989 35.068 1.00 0.00 H new ATOM 683 N THR A 47 27.144 -25.932 33.311 1.00 0.00 N ATOM 684 CA THR A 47 28.399 -25.491 32.715 1.00 0.00 C ATOM 685 C THR A 47 28.832 -26.424 31.590 1.00 0.00 C ATOM 686 O THR A 47 29.454 -25.994 30.619 1.00 0.00 O ATOM 687 CB THR A 47 29.523 -25.416 33.766 1.00 0.00 C ATOM 688 OG1 THR A 47 29.676 -26.685 34.411 1.00 0.00 O ATOM 689 CG2 THR A 47 29.223 -24.345 34.804 1.00 0.00 C ATOM 0 H THR A 47 27.253 -26.508 34.146 1.00 0.00 H new ATOM 0 HA THR A 47 28.223 -24.495 32.309 1.00 0.00 H new ATOM 0 HB THR A 47 30.450 -25.155 33.256 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.393 -26.629 35.076 1.00 0.00 H new ATOM 0 HG21 THR A 47 30.031 -24.311 35.535 1.00 0.00 H new ATOM 0 HG22 THR A 47 29.137 -23.376 34.313 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.286 -24.580 35.309 1.00 0.00 H new ATOM 697 N SER A 48 28.497 -27.703 31.727 1.00 0.00 N ATOM 698 CA SER A 48 28.854 -28.698 30.722 1.00 0.00 C ATOM 699 C SER A 48 27.624 -29.142 29.936 1.00 0.00 C ATOM 700 O SER A 48 26.569 -29.411 30.512 1.00 0.00 O ATOM 701 CB SER A 48 29.515 -29.908 31.385 1.00 0.00 C ATOM 702 OG SER A 48 30.911 -29.710 31.532 1.00 0.00 O ATOM 0 H SER A 48 27.979 -28.075 32.523 1.00 0.00 H new ATOM 0 HA SER A 48 29.561 -28.242 30.029 1.00 0.00 H new ATOM 0 HB2 SER A 48 29.064 -30.082 32.362 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.332 -30.800 30.786 1.00 0.00 H new ATOM 0 HG SER A 48 31.310 -30.496 31.960 1.00 0.00 H new ATOM 708 N LEU A 49 27.768 -29.217 28.618 1.00 0.00 N ATOM 709 CA LEU A 49 26.669 -29.629 27.751 1.00 0.00 C ATOM 710 C LEU A 49 26.078 -30.956 28.214 1.00 0.00 C ATOM 711 O LEU A 49 24.893 -31.221 28.016 1.00 0.00 O ATOM 712 CB LEU A 49 27.153 -29.749 26.304 1.00 0.00 C ATOM 713 CG LEU A 49 27.250 -28.442 25.518 1.00 0.00 C ATOM 714 CD1 LEU A 49 25.896 -27.752 25.460 1.00 0.00 C ATOM 715 CD2 LEU A 49 28.292 -27.523 26.138 1.00 0.00 C ATOM 0 H LEU A 49 28.634 -28.998 28.126 1.00 0.00 H new ATOM 0 HA LEU A 49 25.890 -28.868 27.805 1.00 0.00 H new ATOM 0 HB2 LEU A 49 28.136 -30.220 26.309 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.480 -30.421 25.771 1.00 0.00 H new ATOM 0 HG LEU A 49 27.560 -28.675 24.499 1.00 0.00 H new ATOM 0 HD11 LEU A 49 25.985 -26.823 24.896 1.00 0.00 H new ATOM 0 HD12 LEU A 49 25.175 -28.406 24.970 1.00 0.00 H new ATOM 0 HD13 LEU A 49 25.556 -27.531 26.472 1.00 0.00 H new ATOM 0 HD21 LEU A 49 28.348 -26.597 25.565 1.00 0.00 H new ATOM 0 HD22 LEU A 49 28.012 -27.297 27.167 1.00 0.00 H new ATOM 0 HD23 LEU A 49 29.264 -28.015 26.127 1.00 0.00 H new ATOM 727 N GLN A 50 26.912 -31.786 28.832 1.00 0.00 N ATOM 728 CA GLN A 50 26.471 -33.085 29.325 1.00 0.00 C ATOM 729 C GLN A 50 25.244 -32.940 30.220 1.00 0.00 C ATOM 730 O GLN A 50 24.418 -33.849 30.310 1.00 0.00 O ATOM 731 CB GLN A 50 27.600 -33.772 30.095 1.00 0.00 C ATOM 732 CG GLN A 50 27.182 -35.079 30.751 1.00 0.00 C ATOM 733 CD GLN A 50 28.354 -35.834 31.347 1.00 0.00 C ATOM 734 OE1 GLN A 50 28.554 -37.016 31.065 1.00 0.00 O ATOM 735 NE2 GLN A 50 29.136 -35.153 32.176 1.00 0.00 N ATOM 0 H GLN A 50 27.897 -31.582 29.003 1.00 0.00 H new ATOM 0 HA GLN A 50 26.201 -33.699 28.466 1.00 0.00 H new ATOM 0 HB2 GLN A 50 28.428 -33.966 29.413 1.00 0.00 H new ATOM 0 HB3 GLN A 50 27.971 -33.093 30.862 1.00 0.00 H new ATOM 0 HG2 GLN A 50 26.453 -34.871 31.534 1.00 0.00 H new ATOM 0 HG3 GLN A 50 26.686 -35.709 30.013 1.00 0.00 H new ATOM 0 HE21 GLN A 50 28.932 -34.175 32.381 1.00 0.00 H new ATOM 0 HE22 GLN A 50 29.940 -35.608 32.608 1.00 0.00 H new ATOM 744 N LEU A 51 25.132 -31.793 30.880 1.00 0.00 N ATOM 745 CA LEU A 51 24.005 -31.528 31.768 1.00 0.00 C ATOM 746 C LEU A 51 22.848 -30.892 31.005 1.00 0.00 C ATOM 747 O LEU A 51 21.688 -31.019 31.397 1.00 0.00 O ATOM 748 CB LEU A 51 24.439 -30.614 32.915 1.00 0.00 C ATOM 749 CG LEU A 51 25.519 -31.170 33.845 1.00 0.00 C ATOM 750 CD1 LEU A 51 25.925 -30.127 34.875 1.00 0.00 C ATOM 751 CD2 LEU A 51 25.032 -32.438 34.530 1.00 0.00 C ATOM 0 H LEU A 51 25.808 -31.031 30.817 1.00 0.00 H new ATOM 0 HA LEU A 51 23.665 -32.479 32.178 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.801 -29.678 32.490 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.561 -30.374 33.514 1.00 0.00 H new ATOM 0 HG LEU A 51 26.395 -31.419 33.246 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.694 -30.540 35.528 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.316 -29.246 34.366 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.056 -29.846 35.470 1.00 0.00 H new ATOM 0 HD21 LEU A 51 25.813 -32.819 35.188 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.141 -32.215 35.117 1.00 0.00 H new ATOM 0 HD23 LEU A 51 24.793 -33.189 33.777 1.00 0.00 H new ATOM 763 N VAL A 52 23.171 -30.208 29.912 1.00 0.00 N ATOM 764 CA VAL A 52 22.158 -29.555 29.092 1.00 0.00 C ATOM 765 C VAL A 52 21.435 -30.562 28.205 1.00 0.00 C ATOM 766 O VAL A 52 20.261 -30.388 27.876 1.00 0.00 O ATOM 767 CB VAL A 52 22.776 -28.458 28.205 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.710 -27.811 27.335 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.482 -27.416 29.061 1.00 0.00 C ATOM 0 H VAL A 52 24.126 -30.092 29.574 1.00 0.00 H new ATOM 0 HA VAL A 52 21.443 -29.099 29.777 1.00 0.00 H new ATOM 0 HB VAL A 52 23.515 -28.919 27.550 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.166 -27.039 26.715 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.254 -28.567 26.696 1.00 0.00 H new ATOM 0 HG13 VAL A 52 20.945 -27.363 27.969 1.00 0.00 H new ATOM 0 HG21 VAL A 52 23.913 -26.648 28.418 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.765 -26.958 29.742 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.275 -27.894 29.636 1.00 0.00 H new ATOM 779 N THR A 53 22.144 -31.619 27.820 1.00 0.00 N ATOM 780 CA THR A 53 21.571 -32.655 26.970 1.00 0.00 C ATOM 781 C THR A 53 20.377 -33.321 27.645 1.00 0.00 C ATOM 782 O THR A 53 19.503 -33.871 26.975 1.00 0.00 O ATOM 783 CB THR A 53 22.613 -33.733 26.617 1.00 0.00 C ATOM 784 OG1 THR A 53 23.240 -34.217 27.810 1.00 0.00 O ATOM 785 CG2 THR A 53 23.669 -33.176 25.674 1.00 0.00 C ATOM 0 H THR A 53 23.116 -31.780 28.084 1.00 0.00 H new ATOM 0 HA THR A 53 21.241 -32.165 26.054 1.00 0.00 H new ATOM 0 HB THR A 53 22.099 -34.554 26.118 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.900 -34.903 27.577 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.394 -33.955 25.439 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.192 -32.834 24.755 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.178 -32.339 26.152 1.00 0.00 H new ATOM 793 N GLN A 54 20.346 -33.266 28.972 1.00 0.00 N ATOM 794 CA GLN A 54 19.258 -33.865 29.736 1.00 0.00 C ATOM 795 C GLN A 54 18.263 -32.802 30.190 1.00 0.00 C ATOM 796 O GLN A 54 17.567 -32.976 31.190 1.00 0.00 O ATOM 797 CB GLN A 54 19.811 -34.614 30.950 1.00 0.00 C ATOM 798 CG GLN A 54 21.012 -35.488 30.629 1.00 0.00 C ATOM 799 CD GLN A 54 21.403 -36.389 31.784 1.00 0.00 C ATOM 800 OE1 GLN A 54 20.572 -36.738 32.623 1.00 0.00 O ATOM 801 NE2 GLN A 54 22.674 -36.772 31.833 1.00 0.00 N ATOM 0 H GLN A 54 21.061 -32.813 29.541 1.00 0.00 H new ATOM 0 HA GLN A 54 18.738 -34.571 29.088 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.092 -33.891 31.716 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.022 -35.236 31.373 1.00 0.00 H new ATOM 0 HG2 GLN A 54 20.788 -36.100 29.755 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.858 -34.854 30.365 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.329 -36.459 31.116 1.00 0.00 H new ATOM 0 HE22 GLN A 54 22.995 -37.379 32.587 1.00 0.00 H new ATOM 810 N MET A 55 18.201 -31.701 29.448 1.00 0.00 N ATOM 811 CA MET A 55 17.290 -30.610 29.775 1.00 0.00 C ATOM 812 C MET A 55 16.103 -30.588 28.817 1.00 0.00 C ATOM 813 O MET A 55 15.987 -31.440 27.936 1.00 0.00 O ATOM 814 CB MET A 55 18.026 -29.270 29.725 1.00 0.00 C ATOM 815 CG MET A 55 19.069 -29.108 30.819 1.00 0.00 C ATOM 816 SD MET A 55 18.343 -29.050 32.468 1.00 0.00 S ATOM 817 CE MET A 55 18.660 -30.719 33.036 1.00 0.00 C ATOM 0 H MET A 55 18.770 -31.541 28.617 1.00 0.00 H new ATOM 0 HA MET A 55 16.916 -30.773 30.786 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.511 -29.167 28.754 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.299 -28.462 29.805 1.00 0.00 H new ATOM 0 HG2 MET A 55 19.776 -29.936 30.767 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.635 -28.193 30.643 1.00 0.00 H new ATOM 0 HE1 MET A 55 17.718 -31.263 33.111 1.00 0.00 H new ATOM 0 HE2 MET A 55 19.316 -31.226 32.328 1.00 0.00 H new ATOM 0 HE3 MET A 55 19.138 -30.686 34.015 1.00 0.00 H new ATOM 827 N THR A 56 15.223 -29.607 28.994 1.00 0.00 N ATOM 828 CA THR A 56 14.045 -29.475 28.146 1.00 0.00 C ATOM 829 C THR A 56 13.592 -28.022 28.057 1.00 0.00 C ATOM 830 O THR A 56 14.135 -27.150 28.736 1.00 0.00 O ATOM 831 CB THR A 56 12.878 -30.334 28.668 1.00 0.00 C ATOM 832 OG1 THR A 56 11.819 -30.359 27.704 1.00 0.00 O ATOM 833 CG2 THR A 56 12.355 -29.791 29.989 1.00 0.00 C ATOM 0 H THR A 56 15.304 -28.892 29.717 1.00 0.00 H new ATOM 0 HA THR A 56 14.329 -29.826 27.154 1.00 0.00 H new ATOM 0 HB THR A 56 13.246 -31.347 28.830 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.081 -30.909 28.042 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.531 -30.414 30.338 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.156 -29.800 30.729 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.003 -28.769 29.848 1.00 0.00 H new ATOM 841 N SER A 57 12.593 -27.769 27.218 1.00 0.00 N ATOM 842 CA SER A 57 12.069 -26.420 27.038 1.00 0.00 C ATOM 843 C SER A 57 11.713 -25.792 28.382 1.00 0.00 C ATOM 844 O SER A 57 11.906 -24.595 28.591 1.00 0.00 O ATOM 845 CB SER A 57 10.837 -26.445 26.132 1.00 0.00 C ATOM 846 OG SER A 57 10.647 -27.730 25.565 1.00 0.00 O ATOM 0 H SER A 57 12.130 -28.480 26.652 1.00 0.00 H new ATOM 0 HA SER A 57 12.845 -25.815 26.568 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.954 -26.163 26.706 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.950 -25.707 25.338 1.00 0.00 H new ATOM 0 HG SER A 57 9.852 -27.720 24.992 1.00 0.00 H new ATOM 852 N GLU A 58 11.191 -26.611 29.291 1.00 0.00 N ATOM 853 CA GLU A 58 10.807 -26.136 30.615 1.00 0.00 C ATOM 854 C GLU A 58 12.016 -25.587 31.368 1.00 0.00 C ATOM 855 O GLU A 58 11.932 -24.550 32.026 1.00 0.00 O ATOM 856 CB GLU A 58 10.162 -27.266 31.420 1.00 0.00 C ATOM 857 CG GLU A 58 8.895 -27.816 30.787 1.00 0.00 C ATOM 858 CD GLU A 58 8.206 -28.846 31.662 1.00 0.00 C ATOM 859 OE1 GLU A 58 8.318 -28.740 32.902 1.00 0.00 O ATOM 860 OE2 GLU A 58 7.555 -29.756 31.108 1.00 0.00 O ATOM 0 H GLU A 58 11.025 -27.605 29.134 1.00 0.00 H new ATOM 0 HA GLU A 58 10.083 -25.331 30.488 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.882 -28.076 31.535 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.930 -26.902 32.421 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.207 -26.995 30.588 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.140 -28.267 29.825 1.00 0.00 H new ATOM 867 N ASP A 59 13.138 -26.290 31.266 1.00 0.00 N ATOM 868 CA ASP A 59 14.365 -25.873 31.936 1.00 0.00 C ATOM 869 C ASP A 59 14.827 -24.511 31.427 1.00 0.00 C ATOM 870 O ASP A 59 15.466 -23.750 32.154 1.00 0.00 O ATOM 871 CB ASP A 59 15.466 -26.912 31.721 1.00 0.00 C ATOM 872 CG ASP A 59 15.145 -28.241 32.376 1.00 0.00 C ATOM 873 OD1 ASP A 59 14.698 -28.236 33.542 1.00 0.00 O ATOM 874 OD2 ASP A 59 15.339 -29.287 31.722 1.00 0.00 O ATOM 0 H ASP A 59 13.224 -27.151 30.726 1.00 0.00 H new ATOM 0 HA ASP A 59 14.157 -25.790 33.003 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.614 -27.064 30.652 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.405 -26.530 32.122 1.00 0.00 H new ATOM 879 N LEU A 60 14.500 -24.212 30.175 1.00 0.00 N ATOM 880 CA LEU A 60 14.882 -22.941 29.568 1.00 0.00 C ATOM 881 C LEU A 60 14.144 -21.780 30.226 1.00 0.00 C ATOM 882 O LEU A 60 14.703 -20.697 30.405 1.00 0.00 O ATOM 883 CB LEU A 60 14.588 -22.962 28.067 1.00 0.00 C ATOM 884 CG LEU A 60 14.925 -24.262 27.335 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.661 -24.119 25.844 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.373 -24.657 27.587 1.00 0.00 C ATOM 0 H LEU A 60 13.972 -24.831 29.560 1.00 0.00 H new ATOM 0 HA LEU A 60 15.952 -22.800 29.721 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.529 -22.751 27.922 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.142 -22.150 27.597 1.00 0.00 H new ATOM 0 HG LEU A 60 14.282 -25.052 27.723 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.906 -25.054 25.340 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.609 -23.885 25.682 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.278 -23.316 25.441 1.00 0.00 H new ATOM 0 HD21 LEU A 60 16.595 -25.584 27.058 1.00 0.00 H new ATOM 0 HD22 LEU A 60 17.033 -23.868 27.228 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.530 -24.802 28.656 1.00 0.00 H new ATOM 898 N LEU A 61 12.887 -22.012 30.586 1.00 0.00 N ATOM 899 CA LEU A 61 12.072 -20.986 31.227 1.00 0.00 C ATOM 900 C LEU A 61 12.467 -20.813 32.690 1.00 0.00 C ATOM 901 O LEU A 61 12.163 -19.793 33.309 1.00 0.00 O ATOM 902 CB LEU A 61 10.589 -21.347 31.126 1.00 0.00 C ATOM 903 CG LEU A 61 9.790 -20.604 30.055 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.325 -21.566 28.972 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.602 -19.886 30.678 1.00 0.00 C ATOM 0 H LEU A 61 12.409 -22.902 30.445 1.00 0.00 H new ATOM 0 HA LEU A 61 12.245 -20.043 30.709 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.508 -22.417 30.935 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.123 -21.160 32.094 1.00 0.00 H new ATOM 0 HG LEU A 61 10.440 -19.859 29.596 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.758 -21.019 28.219 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.191 -22.034 28.505 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.692 -22.335 29.415 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.045 -19.363 29.901 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.951 -20.613 31.164 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.958 -19.167 31.416 1.00 0.00 H new ATOM 917 N ARG A 62 13.146 -21.816 33.237 1.00 0.00 N ATOM 918 CA ARG A 62 13.582 -21.774 34.628 1.00 0.00 C ATOM 919 C ARG A 62 14.797 -20.864 34.789 1.00 0.00 C ATOM 920 O ARG A 62 14.917 -20.144 35.781 1.00 0.00 O ATOM 921 CB ARG A 62 13.918 -23.183 35.121 1.00 0.00 C ATOM 922 CG ARG A 62 12.714 -24.108 35.186 1.00 0.00 C ATOM 923 CD ARG A 62 12.407 -24.523 36.616 1.00 0.00 C ATOM 924 NE ARG A 62 11.794 -23.440 37.381 1.00 0.00 N ATOM 925 CZ ARG A 62 11.387 -23.567 38.639 1.00 0.00 C ATOM 926 NH1 ARG A 62 11.528 -24.724 39.271 1.00 0.00 N ATOM 927 NH2 ARG A 62 10.839 -22.535 39.267 1.00 0.00 N ATOM 0 H ARG A 62 13.406 -22.667 32.739 1.00 0.00 H new ATOM 0 HA ARG A 62 12.766 -21.371 35.227 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.667 -23.621 34.461 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.367 -23.115 36.112 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.846 -23.608 34.757 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.902 -24.995 34.581 1.00 0.00 H new ATOM 0 HD2 ARG A 62 11.739 -25.384 36.608 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.327 -24.838 37.108 1.00 0.00 H new ATOM 0 HE ARG A 62 11.672 -22.536 36.924 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.950 -25.519 38.791 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.215 -24.819 40.237 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.730 -21.643 38.784 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.527 -22.633 40.233 1.00 0.00 H new ATOM 941 N ILE A 63 15.693 -20.903 33.809 1.00 0.00 N ATOM 942 CA ILE A 63 16.897 -20.082 33.843 1.00 0.00 C ATOM 943 C ILE A 63 16.600 -18.653 33.398 1.00 0.00 C ATOM 944 O ILE A 63 17.276 -17.711 33.809 1.00 0.00 O ATOM 945 CB ILE A 63 18.003 -20.667 32.946 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.568 -20.642 31.479 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.341 -22.086 33.380 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.640 -21.115 30.522 1.00 0.00 C ATOM 0 H ILE A 63 15.608 -21.494 32.982 1.00 0.00 H new ATOM 0 HA ILE A 63 17.245 -20.074 34.876 1.00 0.00 H new ATOM 0 HB ILE A 63 18.897 -20.053 33.050 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.684 -21.269 31.360 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.277 -19.626 31.212 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.124 -22.486 32.737 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.689 -22.077 34.413 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.452 -22.712 33.302 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.262 -21.070 29.501 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.517 -20.474 30.612 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.915 -22.142 30.762 1.00 0.00 H new ATOM 960 N GLY A 64 15.583 -18.501 32.556 1.00 0.00 N ATOM 961 CA GLY A 64 15.213 -17.184 32.071 1.00 0.00 C ATOM 962 C GLY A 64 14.686 -17.217 30.650 1.00 0.00 C ATOM 963 O GLY A 64 13.768 -16.472 30.304 1.00 0.00 O ATOM 0 H GLY A 64 15.009 -19.266 32.201 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.454 -16.759 32.727 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.080 -16.526 32.118 1.00 0.00 H new ATOM 967 N ILE A 65 15.268 -18.079 29.824 1.00 0.00 N ATOM 968 CA ILE A 65 14.852 -18.205 28.433 1.00 0.00 C ATOM 969 C ILE A 65 13.349 -18.439 28.328 1.00 0.00 C ATOM 970 O ILE A 65 12.864 -19.548 28.553 1.00 0.00 O ATOM 971 CB ILE A 65 15.590 -19.358 27.726 1.00 0.00 C ATOM 972 CG1 ILE A 65 17.102 -19.135 27.784 1.00 0.00 C ATOM 973 CG2 ILE A 65 15.121 -19.481 26.284 1.00 0.00 C ATOM 974 CD1 ILE A 65 17.908 -20.383 27.494 1.00 0.00 C ATOM 0 H ILE A 65 16.030 -18.701 30.094 1.00 0.00 H new ATOM 0 HA ILE A 65 15.107 -17.266 27.942 1.00 0.00 H new ATOM 0 HB ILE A 65 15.359 -20.290 28.243 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.375 -18.361 27.067 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.369 -18.762 28.773 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.651 -20.300 25.798 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.050 -19.681 26.266 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.326 -18.551 25.754 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.971 -20.151 27.552 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.664 -21.152 28.226 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.670 -20.746 26.494 1.00 0.00 H new ATOM 986 N THR A 66 12.614 -17.385 27.983 1.00 0.00 N ATOM 987 CA THR A 66 11.166 -17.475 27.848 1.00 0.00 C ATOM 988 C THR A 66 10.716 -17.043 26.457 1.00 0.00 C ATOM 989 O THR A 66 9.689 -16.380 26.303 1.00 0.00 O ATOM 990 CB THR A 66 10.448 -16.608 28.899 1.00 0.00 C ATOM 991 OG1 THR A 66 10.780 -15.228 28.706 1.00 0.00 O ATOM 992 CG2 THR A 66 10.835 -17.035 30.307 1.00 0.00 C ATOM 0 H THR A 66 12.999 -16.460 27.792 1.00 0.00 H new ATOM 0 HA THR A 66 10.899 -18.520 28.006 1.00 0.00 H new ATOM 0 HB THR A 66 9.373 -16.743 28.777 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.318 -14.683 29.377 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.316 -16.409 31.033 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.555 -18.077 30.461 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.912 -16.925 30.437 1.00 0.00 H new ATOM 1000 N LEU A 67 11.490 -17.421 25.446 1.00 0.00 N ATOM 1001 CA LEU A 67 11.171 -17.073 24.066 1.00 0.00 C ATOM 1002 C LEU A 67 10.867 -18.322 23.245 1.00 0.00 C ATOM 1003 O LEU A 67 11.754 -19.132 22.978 1.00 0.00 O ATOM 1004 CB LEU A 67 12.330 -16.302 23.432 1.00 0.00 C ATOM 1005 CG LEU A 67 12.223 -14.777 23.471 1.00 0.00 C ATOM 1006 CD1 LEU A 67 13.364 -14.183 24.282 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.216 -14.207 22.060 1.00 0.00 C ATOM 0 H LEU A 67 12.343 -17.969 25.556 1.00 0.00 H new ATOM 0 HA LEU A 67 10.283 -16.441 24.074 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.252 -16.594 23.934 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.421 -16.613 22.391 1.00 0.00 H new ATOM 0 HG LEU A 67 11.283 -14.510 23.954 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.272 -13.097 24.299 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.324 -14.566 25.302 1.00 0.00 H new ATOM 0 HD13 LEU A 67 14.316 -14.459 23.828 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.139 -13.121 22.107 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.139 -14.484 21.551 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.364 -14.607 21.510 1.00 0.00 H new ATOM 1019 N ALA A 68 9.608 -18.471 22.847 1.00 0.00 N ATOM 1020 CA ALA A 68 9.188 -19.619 22.053 1.00 0.00 C ATOM 1021 C ALA A 68 9.944 -19.678 20.730 1.00 0.00 C ATOM 1022 O ALA A 68 10.181 -20.756 20.187 1.00 0.00 O ATOM 1023 CB ALA A 68 7.688 -19.568 21.803 1.00 0.00 C ATOM 0 H ALA A 68 8.861 -17.811 23.062 1.00 0.00 H new ATOM 0 HA ALA A 68 9.421 -20.523 22.616 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.389 -20.431 21.209 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.160 -19.583 22.756 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.440 -18.653 21.265 1.00 0.00 H new ATOM 1029 N GLY A 69 10.322 -18.511 20.216 1.00 0.00 N ATOM 1030 CA GLY A 69 11.046 -18.453 18.961 1.00 0.00 C ATOM 1031 C GLY A 69 12.520 -18.765 19.127 1.00 0.00 C ATOM 1032 O GLY A 69 13.200 -19.122 18.164 1.00 0.00 O ATOM 0 H GLY A 69 10.139 -17.605 20.647 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.605 -19.160 18.258 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.935 -17.460 18.527 1.00 0.00 H new ATOM 1036 N HIS A 70 13.018 -18.629 20.352 1.00 0.00 N ATOM 1037 CA HIS A 70 14.422 -18.898 20.641 1.00 0.00 C ATOM 1038 C HIS A 70 14.612 -20.334 21.123 1.00 0.00 C ATOM 1039 O HIS A 70 15.599 -20.986 20.783 1.00 0.00 O ATOM 1040 CB HIS A 70 14.944 -17.921 21.695 1.00 0.00 C ATOM 1041 CG HIS A 70 15.197 -16.545 21.163 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.778 -15.543 21.911 1.00 0.00 N ATOM 1043 CD2 HIS A 70 14.945 -16.006 19.947 1.00 0.00 C ATOM 1044 CE1 HIS A 70 15.872 -14.447 21.179 1.00 0.00 C ATOM 1045 NE2 HIS A 70 15.374 -14.702 19.983 1.00 0.00 N ATOM 0 H HIS A 70 12.470 -18.334 21.160 1.00 0.00 H new ATOM 0 HA HIS A 70 14.989 -18.764 19.720 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.223 -17.860 22.510 1.00 0.00 H new ATOM 0 HB3 HIS A 70 15.869 -18.314 22.117 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.491 -16.508 19.105 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.286 -13.504 21.504 1.00 0.00 H new ATOM 0 HE2 HIS A 70 15.317 -14.038 19.211 1.00 0.00 H new ATOM 1053 N GLN A 71 13.661 -20.818 21.915 1.00 0.00 N ATOM 1054 CA GLN A 71 13.726 -22.175 22.444 1.00 0.00 C ATOM 1055 C GLN A 71 13.719 -23.200 21.314 1.00 0.00 C ATOM 1056 O GLN A 71 14.328 -24.265 21.424 1.00 0.00 O ATOM 1057 CB GLN A 71 12.551 -22.433 23.389 1.00 0.00 C ATOM 1058 CG GLN A 71 12.563 -21.553 24.629 1.00 0.00 C ATOM 1059 CD GLN A 71 11.180 -21.351 25.214 1.00 0.00 C ATOM 1060 OE1 GLN A 71 10.192 -21.875 24.698 1.00 0.00 O ATOM 1061 NE2 GLN A 71 11.101 -20.588 26.298 1.00 0.00 N ATOM 0 H GLN A 71 12.837 -20.291 22.204 1.00 0.00 H new ATOM 0 HA GLN A 71 14.659 -22.278 22.998 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.618 -22.272 22.848 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.565 -23.479 23.696 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.210 -22.002 25.382 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.992 -20.583 24.378 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.945 -20.173 26.693 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.196 -20.417 26.736 1.00 0.00 H new ATOM 1070 N LYS A 72 13.026 -22.873 20.229 1.00 0.00 N ATOM 1071 CA LYS A 72 12.940 -23.764 19.078 1.00 0.00 C ATOM 1072 C LYS A 72 14.330 -24.161 18.592 1.00 0.00 C ATOM 1073 O LYS A 72 14.557 -25.304 18.193 1.00 0.00 O ATOM 1074 CB LYS A 72 12.165 -23.090 17.943 1.00 0.00 C ATOM 1075 CG LYS A 72 11.009 -23.924 17.417 1.00 0.00 C ATOM 1076 CD LYS A 72 10.154 -23.137 16.438 1.00 0.00 C ATOM 1077 CE LYS A 72 8.722 -23.003 16.933 1.00 0.00 C ATOM 1078 NZ LYS A 72 7.747 -22.973 15.807 1.00 0.00 N ATOM 0 H LYS A 72 12.515 -21.997 20.122 1.00 0.00 H new ATOM 0 HA LYS A 72 12.411 -24.666 19.387 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.781 -22.133 18.295 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.851 -22.876 17.123 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.397 -24.817 16.927 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.393 -24.260 18.251 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.584 -22.146 16.292 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.160 -23.633 15.467 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.487 -23.836 17.595 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.625 -22.091 17.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.783 -22.881 16.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.955 -22.163 15.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.821 -23.854 15.260 1.00 0.00 H new ATOM 1092 N LYS A 73 15.259 -23.212 18.631 1.00 0.00 N ATOM 1093 CA LYS A 73 16.629 -23.463 18.198 1.00 0.00 C ATOM 1094 C LYS A 73 17.384 -24.290 19.233 1.00 0.00 C ATOM 1095 O LYS A 73 18.070 -25.253 18.891 1.00 0.00 O ATOM 1096 CB LYS A 73 17.359 -22.140 17.955 1.00 0.00 C ATOM 1097 CG LYS A 73 18.628 -22.288 17.133 1.00 0.00 C ATOM 1098 CD LYS A 73 18.749 -21.187 16.092 1.00 0.00 C ATOM 1099 CE LYS A 73 19.771 -21.542 15.022 1.00 0.00 C ATOM 1100 NZ LYS A 73 19.310 -21.145 13.663 1.00 0.00 N ATOM 0 H LYS A 73 15.088 -22.261 18.958 1.00 0.00 H new ATOM 0 HA LYS A 73 16.592 -24.027 17.266 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.685 -21.451 17.446 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.609 -21.691 18.916 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.495 -22.263 17.793 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.631 -23.259 16.639 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.778 -21.016 15.627 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.038 -20.255 16.578 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.716 -21.047 15.244 1.00 0.00 H new ATOM 0 HE3 LYS A 73 19.961 -22.615 15.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.033 -21.403 12.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.421 -21.637 13.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.153 -20.117 13.636 1.00 0.00 H new ATOM 1114 N ILE A 74 17.251 -23.909 20.499 1.00 0.00 N ATOM 1115 CA ILE A 74 17.919 -24.618 21.584 1.00 0.00 C ATOM 1116 C ILE A 74 17.520 -26.089 21.607 1.00 0.00 C ATOM 1117 O ILE A 74 18.358 -26.975 21.432 1.00 0.00 O ATOM 1118 CB ILE A 74 17.595 -23.988 22.952 1.00 0.00 C ATOM 1119 CG1 ILE A 74 18.014 -22.517 22.972 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.288 -24.757 24.066 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.488 -21.755 24.169 1.00 0.00 C ATOM 0 H ILE A 74 16.687 -23.114 20.799 1.00 0.00 H new ATOM 0 HA ILE A 74 18.990 -24.538 21.401 1.00 0.00 H new ATOM 0 HB ILE A 74 16.519 -24.042 23.115 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.102 -22.457 22.963 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.661 -22.035 22.061 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.050 -24.300 25.026 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.945 -25.792 24.061 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.366 -24.731 23.910 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.824 -20.719 24.117 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.398 -21.783 24.168 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.862 -22.213 25.085 1.00 0.00 H new ATOM 1133 N LEU A 75 16.234 -26.344 21.822 1.00 0.00 N ATOM 1134 CA LEU A 75 15.721 -27.710 21.866 1.00 0.00 C ATOM 1135 C LEU A 75 16.115 -28.480 20.610 1.00 0.00 C ATOM 1136 O LEU A 75 16.463 -29.658 20.676 1.00 0.00 O ATOM 1137 CB LEU A 75 14.199 -27.699 22.016 1.00 0.00 C ATOM 1138 CG LEU A 75 13.659 -27.175 23.347 1.00 0.00 C ATOM 1139 CD1 LEU A 75 12.280 -26.563 23.160 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.613 -28.291 24.381 1.00 0.00 C ATOM 0 H LEU A 75 15.527 -25.623 21.969 1.00 0.00 H new ATOM 0 HA LEU A 75 16.161 -28.210 22.729 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.779 -27.093 21.213 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.833 -28.716 21.873 1.00 0.00 H new ATOM 0 HG LEU A 75 14.333 -26.398 23.709 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.912 -26.196 24.118 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.342 -25.735 22.454 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.596 -27.319 22.774 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.226 -27.900 25.322 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.962 -29.090 24.025 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.618 -28.684 24.537 1.00 0.00 H new ATOM 1152 N ASN A 76 16.059 -27.805 19.467 1.00 0.00 N ATOM 1153 CA ASN A 76 16.412 -28.425 18.195 1.00 0.00 C ATOM 1154 C ASN A 76 17.845 -28.947 18.223 1.00 0.00 C ATOM 1155 O ASN A 76 18.191 -29.883 17.502 1.00 0.00 O ATOM 1156 CB ASN A 76 16.244 -27.424 17.051 1.00 0.00 C ATOM 1157 CG ASN A 76 14.856 -27.469 16.442 1.00 0.00 C ATOM 1158 OD1 ASN A 76 13.890 -27.860 17.098 1.00 0.00 O ATOM 1159 ND2 ASN A 76 14.750 -27.068 15.180 1.00 0.00 N ATOM 0 H ASN A 76 15.773 -26.829 19.395 1.00 0.00 H new ATOM 0 HA ASN A 76 15.740 -29.268 18.032 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.443 -26.418 17.420 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.984 -27.632 16.278 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.841 -27.076 14.717 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.577 -26.752 14.674 1.00 0.00 H new ATOM 1166 N SER A 77 18.676 -28.334 19.061 1.00 0.00 N ATOM 1167 CA SER A 77 20.073 -28.734 19.181 1.00 0.00 C ATOM 1168 C SER A 77 20.254 -29.743 20.311 1.00 0.00 C ATOM 1169 O SER A 77 21.004 -30.711 20.179 1.00 0.00 O ATOM 1170 CB SER A 77 20.956 -27.510 19.429 1.00 0.00 C ATOM 1171 OG SER A 77 22.192 -27.625 18.745 1.00 0.00 O ATOM 0 H SER A 77 18.406 -27.559 19.666 1.00 0.00 H new ATOM 0 HA SER A 77 20.372 -29.205 18.245 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.437 -26.610 19.099 1.00 0.00 H new ATOM 0 HB3 SER A 77 21.137 -27.399 20.498 1.00 0.00 H new ATOM 0 HG SER A 77 22.439 -26.755 18.367 1.00 0.00 H new ATOM 1177 N ILE A 78 19.562 -29.510 21.420 1.00 0.00 N ATOM 1178 CA ILE A 78 19.645 -30.399 22.573 1.00 0.00 C ATOM 1179 C ILE A 78 19.120 -31.790 22.233 1.00 0.00 C ATOM 1180 O ILE A 78 19.736 -32.799 22.579 1.00 0.00 O ATOM 1181 CB ILE A 78 18.853 -29.842 23.771 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.380 -28.459 24.160 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.937 -30.798 24.952 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.517 -27.749 25.179 1.00 0.00 C ATOM 0 H ILE A 78 18.937 -28.713 21.545 1.00 0.00 H new ATOM 0 HA ILE A 78 20.698 -30.467 22.844 1.00 0.00 H new ATOM 0 HB ILE A 78 17.807 -29.743 23.482 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.389 -28.563 24.559 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.453 -27.842 23.265 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.373 -30.391 25.791 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.519 -31.764 24.669 1.00 0.00 H new ATOM 0 HG23 ILE A 78 19.979 -30.925 25.244 1.00 0.00 H new ATOM 0 HD11 ILE A 78 18.950 -26.775 25.408 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.514 -27.614 24.775 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.464 -28.346 26.090 1.00 0.00 H new ATOM 1196 N HIS A 79 17.979 -31.836 21.553 1.00 0.00 N ATOM 1197 CA HIS A 79 17.373 -33.104 21.164 1.00 0.00 C ATOM 1198 C HIS A 79 18.343 -33.938 20.333 1.00 0.00 C ATOM 1199 O HIS A 79 18.414 -35.158 20.482 1.00 0.00 O ATOM 1200 CB HIS A 79 16.087 -32.858 20.373 1.00 0.00 C ATOM 1201 CG HIS A 79 15.050 -33.920 20.569 1.00 0.00 C ATOM 1202 ND1 HIS A 79 13.715 -33.730 20.284 1.00 0.00 N ATOM 1203 CD2 HIS A 79 15.159 -35.191 21.024 1.00 0.00 C ATOM 1204 CE1 HIS A 79 13.047 -34.837 20.556 1.00 0.00 C ATOM 1205 NE2 HIS A 79 13.900 -35.739 21.006 1.00 0.00 N ATOM 0 H HIS A 79 17.456 -31.011 21.260 1.00 0.00 H new ATOM 0 HA HIS A 79 17.132 -33.656 22.072 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.669 -31.895 20.666 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.330 -32.791 19.313 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.067 -35.682 21.342 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.984 -34.980 20.431 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.662 -36.688 21.293 1.00 0.00 H new ATOM 1213 N SER A 80 19.088 -33.272 19.456 1.00 0.00 N ATOM 1214 CA SER A 80 20.050 -33.953 18.598 1.00 0.00 C ATOM 1215 C SER A 80 21.354 -34.215 19.345 1.00 0.00 C ATOM 1216 O SER A 80 22.087 -35.151 19.027 1.00 0.00 O ATOM 1217 CB SER A 80 20.326 -33.120 17.345 1.00 0.00 C ATOM 1218 OG SER A 80 19.527 -33.553 16.258 1.00 0.00 O ATOM 0 H SER A 80 19.044 -32.262 19.321 1.00 0.00 H new ATOM 0 HA SER A 80 19.622 -34.911 18.302 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.125 -32.069 17.552 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.380 -33.197 17.079 1.00 0.00 H new ATOM 0 HG SER A 80 19.721 -33.004 15.470 1.00 0.00 H new ATOM 1224 N MET A 81 21.636 -33.382 20.341 1.00 0.00 N ATOM 1225 CA MET A 81 22.851 -33.524 21.136 1.00 0.00 C ATOM 1226 C MET A 81 22.791 -34.779 22.000 1.00 0.00 C ATOM 1227 O MET A 81 23.739 -35.563 22.038 1.00 0.00 O ATOM 1228 CB MET A 81 23.055 -32.291 22.019 1.00 0.00 C ATOM 1229 CG MET A 81 24.299 -31.492 21.669 1.00 0.00 C ATOM 1230 SD MET A 81 24.984 -30.614 23.087 1.00 0.00 S ATOM 1231 CE MET A 81 23.760 -29.326 23.311 1.00 0.00 C ATOM 0 H MET A 81 21.040 -32.602 20.617 1.00 0.00 H new ATOM 0 HA MET A 81 23.695 -33.615 20.452 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.182 -31.644 21.933 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.117 -32.606 23.061 1.00 0.00 H new ATOM 0 HG2 MET A 81 25.055 -32.164 21.263 1.00 0.00 H new ATOM 0 HG3 MET A 81 24.056 -30.774 20.885 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.224 -28.352 23.154 1.00 0.00 H new ATOM 0 HE2 MET A 81 22.952 -29.463 22.593 1.00 0.00 H new ATOM 0 HE3 MET A 81 23.359 -29.378 24.323 1.00 0.00 H new ATOM 1241 N ARG A 82 21.672 -34.962 22.693 1.00 0.00 N ATOM 1242 CA ARG A 82 21.491 -36.122 23.558 1.00 0.00 C ATOM 1243 C ARG A 82 21.555 -37.416 22.753 1.00 0.00 C ATOM 1244 O ARG A 82 22.144 -38.404 23.191 1.00 0.00 O ATOM 1245 CB ARG A 82 20.153 -36.032 24.294 1.00 0.00 C ATOM 1246 CG ARG A 82 18.958 -35.874 23.368 1.00 0.00 C ATOM 1247 CD ARG A 82 17.698 -35.516 24.140 1.00 0.00 C ATOM 1248 NE ARG A 82 16.612 -36.459 23.883 1.00 0.00 N ATOM 1249 CZ ARG A 82 16.524 -37.652 24.460 1.00 0.00 C ATOM 1250 NH1 ARG A 82 17.451 -38.046 25.321 1.00 0.00 N ATOM 1251 NH2 ARG A 82 15.505 -38.454 24.175 1.00 0.00 N ATOM 0 H ARG A 82 20.878 -34.323 22.673 1.00 0.00 H new ATOM 0 HA ARG A 82 22.300 -36.129 24.288 1.00 0.00 H new ATOM 0 HB2 ARG A 82 20.018 -36.930 24.897 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.183 -35.187 24.982 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.167 -35.098 22.631 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.798 -36.801 22.818 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.919 -35.500 25.207 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.378 -34.511 23.865 1.00 0.00 H new ATOM 0 HE ARG A 82 15.882 -36.186 23.225 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.235 -37.432 25.542 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.380 -38.963 25.762 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.790 -38.154 23.513 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.438 -39.370 24.618 1.00 0.00 H new