USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 512 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.5!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= -0.208 (180deg=-2.78!) USER MOD Single : A 35 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.71) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.595 K(o=-0.6,f=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= -0.0875 (180deg=-0.458) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.7!) USER MOD Single : A 46 MET CE :methyl -147:sc= 0 (180deg=-0.59) USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= -0.0225 (180deg=-0.197) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 178:sc= 0.106 USER MOD Single : A 62 GLN : amide:sc= -2.01! C(o=-2!,f=-3.1!) USER MOD Single : A 64 HIS : no HD1:sc= -4.49! K(o=-4.5!,f=-2) USER MOD Single : A 65 ASN : amide:sc= -0.696 K(o=-0.7,f=-5.1!) USER MOD Single : A 66 GLN : amide:sc= -0.893 K(o=-0.89,f=-2.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -3.28! C(o=-3.3!,f=-3.5!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0263 USER MOD Single : A 81 GLN : amide:sc= -0.237 K(o=-0.24,f=-2) USER MOD Single : A 83 GLN : amide:sc= -3.2! C(o=-3.2!,f=-9.8!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -2.02 X(o=-2,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 397 N GLU A 28 7.178 7.967 3.470 1.00 0.00 N ATOM 398 CA GLU A 28 6.033 8.794 3.829 1.00 0.00 C ATOM 399 C GLU A 28 5.124 9.019 2.624 1.00 0.00 C ATOM 400 O GLU A 28 5.520 9.652 1.645 1.00 0.00 O ATOM 401 CB GLU A 28 6.502 10.140 4.386 1.00 0.00 C ATOM 402 CG GLU A 28 5.440 10.870 5.190 1.00 0.00 C ATOM 403 CD GLU A 28 5.315 10.344 6.606 1.00 0.00 C ATOM 404 OE1 GLU A 28 5.538 9.133 6.811 1.00 0.00 O ATOM 405 OE2 GLU A 28 4.994 11.144 7.510 1.00 0.00 O ATOM 0 HA GLU A 28 5.465 8.269 4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.376 9.978 5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.820 10.775 3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.680 11.933 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.479 10.775 4.685 1.00 0.00 H new ATOM 412 N TRP A 29 3.906 8.496 2.703 1.00 0.00 N ATOM 413 CA TRP A 29 2.941 8.638 1.619 1.00 0.00 C ATOM 414 C TRP A 29 1.836 9.617 1.999 1.00 0.00 C ATOM 415 O TRP A 29 1.132 9.417 2.989 1.00 0.00 O ATOM 416 CB TRP A 29 2.336 7.279 1.265 1.00 0.00 C ATOM 417 CG TRP A 29 3.270 6.396 0.493 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.353 5.724 0.980 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.202 6.093 -0.905 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.964 5.020 -0.030 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.277 5.230 -1.196 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.338 6.465 -1.938 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.508 4.736 -2.477 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.570 5.974 -3.209 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.646 5.116 -3.470 1.00 0.00 C ATOM 0 H TRP A 29 3.563 7.970 3.507 1.00 0.00 H new ATOM 0 HA TRP A 29 3.466 9.031 0.748 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.042 6.770 2.183 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.428 7.434 0.682 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.682 5.743 2.009 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.794 4.436 0.072 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.504 7.124 -1.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.338 4.076 -2.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.910 6.257 -4.015 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.798 4.747 -4.474 1.00 0.00 H new ATOM 436 N GLN A 30 1.689 10.674 1.208 1.00 0.00 N ATOM 437 CA GLN A 30 0.668 11.684 1.464 1.00 0.00 C ATOM 438 C GLN A 30 -0.200 11.905 0.229 1.00 0.00 C ATOM 439 O GLN A 30 0.264 11.761 -0.902 1.00 0.00 O ATOM 440 CB GLN A 30 1.319 13.002 1.887 1.00 0.00 C ATOM 441 CG GLN A 30 2.280 12.858 3.057 1.00 0.00 C ATOM 442 CD GLN A 30 2.724 14.195 3.615 1.00 0.00 C ATOM 443 OE1 GLN A 30 2.048 14.784 4.459 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.867 14.683 3.146 1.00 0.00 N ATOM 0 H GLN A 30 2.263 10.854 0.385 1.00 0.00 H new ATOM 0 HA GLN A 30 0.032 11.325 2.273 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.856 13.422 1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.538 13.714 2.154 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.801 12.280 3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.156 12.294 2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.395 14.161 2.447 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.216 15.579 3.485 1.00 0.00 H new ATOM 453 N TYR A 31 -1.461 12.256 0.455 1.00 0.00 N ATOM 454 CA TYR A 31 -2.395 12.494 -0.639 1.00 0.00 C ATOM 455 C TYR A 31 -2.850 13.950 -0.660 1.00 0.00 C ATOM 456 O TYR A 31 -3.065 14.559 0.389 1.00 0.00 O ATOM 457 CB TYR A 31 -3.608 11.571 -0.513 1.00 0.00 C ATOM 458 CG TYR A 31 -4.443 11.834 0.720 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.001 11.442 1.978 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.673 12.472 0.627 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.761 11.680 3.108 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.439 12.715 1.751 1.00 0.00 C ATOM 463 CZ TYR A 31 -5.978 12.317 2.989 1.00 0.00 C ATOM 464 OH TYR A 31 -6.739 12.555 4.111 1.00 0.00 O ATOM 0 H TYR A 31 -1.860 12.382 1.385 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.880 12.279 -1.575 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.235 11.686 -1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.266 10.536 -0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.048 10.943 2.074 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.037 12.784 -0.341 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.404 11.369 4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.393 13.213 1.661 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.566 13.013 3.854 1.00 0.00 H new ATOM 474 N ILE A 32 -2.995 14.501 -1.860 1.00 0.00 N ATOM 475 CA ILE A 32 -3.426 15.885 -2.018 1.00 0.00 C ATOM 476 C ILE A 32 -4.932 15.970 -2.238 1.00 0.00 C ATOM 477 O ILE A 32 -5.435 15.618 -3.305 1.00 0.00 O ATOM 478 CB ILE A 32 -2.707 16.567 -3.197 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.277 16.943 -2.802 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.479 17.799 -3.646 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.259 15.873 -3.130 1.00 0.00 C ATOM 0 H ILE A 32 -2.820 14.011 -2.737 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.166 16.404 -1.095 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.661 15.866 -4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.999 17.866 -3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.246 17.147 -1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.959 18.270 -4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.480 17.506 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.552 18.504 -2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.732 16.207 -2.823 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.513 14.955 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.262 15.685 -4.204 1.00 0.00 H new ATOM 493 N ASP A 33 -5.647 16.440 -1.222 1.00 0.00 N ATOM 494 CA ASP A 33 -7.097 16.574 -1.304 1.00 0.00 C ATOM 495 C ASP A 33 -7.484 17.749 -2.197 1.00 0.00 C ATOM 496 O ASP A 33 -6.642 18.571 -2.559 1.00 0.00 O ATOM 497 CB ASP A 33 -7.693 16.760 0.092 1.00 0.00 C ATOM 498 CG ASP A 33 -9.209 16.774 0.077 1.00 0.00 C ATOM 499 OD1 ASP A 33 -9.813 15.681 0.075 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.792 17.879 0.067 1.00 0.00 O ATOM 0 H ASP A 33 -5.246 16.735 -0.332 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.498 15.660 -1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.346 15.957 0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.328 17.695 0.518 1.00 0.00 H new ATOM 505 N LYS A 34 -8.763 17.821 -2.550 1.00 0.00 N ATOM 506 CA LYS A 34 -9.263 18.894 -3.401 1.00 0.00 C ATOM 507 C LYS A 34 -8.437 20.163 -3.218 1.00 0.00 C ATOM 508 O LYS A 34 -7.662 20.543 -4.095 1.00 0.00 O ATOM 509 CB LYS A 34 -10.733 19.180 -3.085 1.00 0.00 C ATOM 510 CG LYS A 34 -11.635 17.968 -3.240 1.00 0.00 C ATOM 511 CD LYS A 34 -13.088 18.373 -3.417 1.00 0.00 C ATOM 512 CE LYS A 34 -13.936 17.210 -3.910 1.00 0.00 C ATOM 513 NZ LYS A 34 -14.114 16.170 -2.859 1.00 0.00 N ATOM 0 H LYS A 34 -9.473 17.148 -2.260 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.176 18.571 -4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.811 19.552 -2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.089 19.974 -3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.313 17.381 -4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.539 17.328 -2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.483 18.736 -2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.153 19.198 -4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.912 17.580 -4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.466 16.764 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.069 15.764 -2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.408 15.418 -2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.990 16.600 -1.920 1.00 0.00 H new ATOM 527 N ASN A 35 -8.607 20.814 -2.071 1.00 0.00 N ATOM 528 CA ASN A 35 -7.876 22.041 -1.773 1.00 0.00 C ATOM 529 C ASN A 35 -7.071 21.895 -0.485 1.00 0.00 C ATOM 530 O ASN A 35 -6.656 22.887 0.115 1.00 0.00 O ATOM 531 CB ASN A 35 -8.843 23.219 -1.652 1.00 0.00 C ATOM 532 CG ASN A 35 -8.124 24.543 -1.475 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.556 25.084 -2.424 1.00 0.00 O ATOM 534 ND2 ASN A 35 -8.144 25.069 -0.257 1.00 0.00 N ATOM 0 H ASN A 35 -9.244 20.513 -1.333 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.184 22.231 -2.594 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.468 23.265 -2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.508 23.054 -0.804 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.676 25.957 -0.077 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.627 24.585 0.500 1.00 0.00 H new ATOM 541 N ILE A 36 -6.853 20.652 -0.068 1.00 0.00 N ATOM 542 CA ILE A 36 -6.097 20.376 1.147 1.00 0.00 C ATOM 543 C ILE A 36 -5.042 19.302 0.906 1.00 0.00 C ATOM 544 O ILE A 36 -5.184 18.465 0.014 1.00 0.00 O ATOM 545 CB ILE A 36 -7.020 19.925 2.295 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.161 20.926 2.484 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.225 19.770 3.583 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.369 20.635 1.620 1.00 0.00 C ATOM 0 H ILE A 36 -7.189 19.821 -0.554 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.606 21.307 1.431 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.450 18.957 2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.464 20.925 3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.796 21.928 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.890 19.451 4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.444 19.023 3.441 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.770 20.725 3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.138 21.384 1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.080 20.664 0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.759 19.646 1.862 1.00 0.00 H new ATOM 560 N THR A 37 -3.982 19.330 1.708 1.00 0.00 N ATOM 561 CA THR A 37 -2.903 18.359 1.583 1.00 0.00 C ATOM 562 C THR A 37 -2.690 17.602 2.889 1.00 0.00 C ATOM 563 O THR A 37 -2.034 18.097 3.804 1.00 0.00 O ATOM 564 CB THR A 37 -1.581 19.037 1.176 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.806 19.928 0.077 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.537 18.001 0.790 1.00 0.00 C ATOM 0 H THR A 37 -3.848 20.015 2.451 1.00 0.00 H new ATOM 0 HA THR A 37 -3.199 17.657 0.803 1.00 0.00 H new ATOM 0 HB THR A 37 -1.210 19.601 2.031 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.961 20.357 -0.175 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.387 18.504 0.507 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.347 17.343 1.638 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.902 17.412 -0.051 1.00 0.00 H new ATOM 574 N GLN A 38 -3.249 16.398 2.967 1.00 0.00 N ATOM 575 CA GLN A 38 -3.120 15.573 4.162 1.00 0.00 C ATOM 576 C GLN A 38 -2.258 14.346 3.886 1.00 0.00 C ATOM 577 O GLN A 38 -1.830 14.118 2.754 1.00 0.00 O ATOM 578 CB GLN A 38 -4.500 15.140 4.660 1.00 0.00 C ATOM 579 CG GLN A 38 -5.354 16.291 5.164 1.00 0.00 C ATOM 580 CD GLN A 38 -5.151 16.566 6.642 1.00 0.00 C ATOM 581 OE1 GLN A 38 -6.024 16.287 7.463 1.00 0.00 O ATOM 582 NE2 GLN A 38 -3.992 17.115 6.988 1.00 0.00 N ATOM 0 H GLN A 38 -3.795 15.973 2.217 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.634 16.170 4.934 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.027 14.635 3.851 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.376 14.413 5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.117 17.190 4.595 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.405 16.066 4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.296 17.330 6.274 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.798 17.322 7.968 1.00 0.00 H new ATOM 591 N CYS A 39 -2.006 13.560 4.926 1.00 0.00 N ATOM 592 CA CYS A 39 -1.193 12.356 4.796 1.00 0.00 C ATOM 593 C CYS A 39 -1.977 11.121 5.229 1.00 0.00 C ATOM 594 O CYS A 39 -2.974 11.224 5.943 1.00 0.00 O ATOM 595 CB CYS A 39 0.082 12.483 5.630 1.00 0.00 C ATOM 596 SG CYS A 39 -0.202 12.504 7.415 1.00 0.00 S ATOM 0 H CYS A 39 -2.353 13.735 5.869 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.922 12.243 3.746 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.745 11.653 5.388 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.600 13.399 5.345 1.00 0.00 H new ATOM 0 HG CYS A 39 0.936 12.612 8.034 1.00 0.00 H new ATOM 602 N PHE A 40 -1.520 9.952 4.790 1.00 0.00 N ATOM 603 CA PHE A 40 -2.180 8.697 5.130 1.00 0.00 C ATOM 604 C PHE A 40 -1.778 8.232 6.527 1.00 0.00 C ATOM 605 O PHE A 40 -0.822 8.742 7.111 1.00 0.00 O ATOM 606 CB PHE A 40 -1.832 7.619 4.102 1.00 0.00 C ATOM 607 CG PHE A 40 -2.432 7.867 2.747 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.756 7.545 2.492 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.673 8.422 1.730 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.310 7.771 1.246 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.222 8.651 0.482 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.543 8.326 0.240 1.00 0.00 C ATOM 0 H PHE A 40 -0.696 9.848 4.198 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.257 8.867 5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.748 7.557 4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.175 6.652 4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.361 7.113 3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.640 8.679 1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.342 7.514 1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.619 9.083 -0.303 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.975 8.505 -0.733 1.00 0.00 H new ATOM 622 N ASP A 41 -2.515 7.262 7.055 1.00 0.00 N ATOM 623 CA ASP A 41 -2.237 6.727 8.383 1.00 0.00 C ATOM 624 C ASP A 41 -1.025 5.801 8.353 1.00 0.00 C ATOM 625 O ASP A 41 -0.419 5.587 7.302 1.00 0.00 O ATOM 626 CB ASP A 41 -3.456 5.974 8.919 1.00 0.00 C ATOM 627 CG ASP A 41 -4.681 6.860 9.028 1.00 0.00 C ATOM 628 OD1 ASP A 41 -4.781 7.618 10.015 1.00 0.00 O ATOM 629 OD2 ASP A 41 -5.541 6.795 8.124 1.00 0.00 O ATOM 0 H ASP A 41 -3.310 6.830 6.584 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.016 7.564 9.046 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.677 5.132 8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.222 5.560 9.900 1.00 0.00 H new ATOM 634 N LYS A 42 -0.674 5.255 9.512 1.00 0.00 N ATOM 635 CA LYS A 42 0.465 4.352 9.620 1.00 0.00 C ATOM 636 C LYS A 42 0.163 3.013 8.955 1.00 0.00 C ATOM 637 O LYS A 42 1.048 2.383 8.377 1.00 0.00 O ATOM 638 CB LYS A 42 0.831 4.133 11.090 1.00 0.00 C ATOM 639 CG LYS A 42 -0.211 3.346 11.865 1.00 0.00 C ATOM 640 CD LYS A 42 -0.173 3.680 13.347 1.00 0.00 C ATOM 641 CE LYS A 42 -1.091 4.846 13.680 1.00 0.00 C ATOM 642 NZ LYS A 42 -2.526 4.489 13.504 1.00 0.00 N ATOM 0 H LYS A 42 -1.163 5.423 10.391 1.00 0.00 H new ATOM 0 HA LYS A 42 1.310 4.810 9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.785 3.608 11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.973 5.102 11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.202 3.563 11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.039 2.279 11.727 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.470 2.805 13.926 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.848 3.925 13.640 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.919 5.162 14.709 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.847 5.695 13.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.113 5.110 14.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.793 4.608 12.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.675 3.499 13.787 1.00 0.00 H new ATOM 656 N MET A 43 -1.092 2.585 9.040 1.00 0.00 N ATOM 657 CA MET A 43 -1.511 1.322 8.444 1.00 0.00 C ATOM 658 C MET A 43 -1.591 1.438 6.925 1.00 0.00 C ATOM 659 O MET A 43 -1.125 0.559 6.199 1.00 0.00 O ATOM 660 CB MET A 43 -2.867 0.892 9.007 1.00 0.00 C ATOM 661 CG MET A 43 -2.792 0.348 10.425 1.00 0.00 C ATOM 662 SD MET A 43 -2.424 -1.416 10.473 1.00 0.00 S ATOM 663 CE MET A 43 -0.985 -1.433 11.540 1.00 0.00 C ATOM 0 H MET A 43 -1.837 3.094 9.516 1.00 0.00 H new ATOM 0 HA MET A 43 -0.766 0.566 8.694 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.545 1.745 8.989 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.296 0.130 8.356 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.025 0.890 10.978 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.740 0.531 10.931 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.638 -2.459 11.667 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.192 -0.835 11.091 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.248 -1.016 12.512 1.00 0.00 H new ATOM 673 N THR A 44 -2.186 2.528 6.450 1.00 0.00 N ATOM 674 CA THR A 44 -2.329 2.757 5.018 1.00 0.00 C ATOM 675 C THR A 44 -1.006 3.189 4.396 1.00 0.00 C ATOM 676 O THR A 44 -0.687 2.813 3.269 1.00 0.00 O ATOM 677 CB THR A 44 -3.395 3.829 4.725 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.628 3.482 5.365 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.619 3.974 3.227 1.00 0.00 C ATOM 0 H THR A 44 -2.576 3.266 7.036 1.00 0.00 H new ATOM 0 HA THR A 44 -2.644 1.812 4.576 1.00 0.00 H new ATOM 0 HB THR A 44 -3.038 4.781 5.117 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.300 4.170 5.175 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.376 4.737 3.044 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.686 4.267 2.746 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.956 3.023 2.816 1.00 0.00 H new ATOM 687 N ASN A 45 -0.239 3.981 5.138 1.00 0.00 N ATOM 688 CA ASN A 45 1.051 4.464 4.658 1.00 0.00 C ATOM 689 C ASN A 45 1.838 3.341 3.990 1.00 0.00 C ATOM 690 O ASN A 45 2.482 3.548 2.962 1.00 0.00 O ATOM 691 CB ASN A 45 1.861 5.052 5.815 1.00 0.00 C ATOM 692 CG ASN A 45 3.338 5.165 5.488 1.00 0.00 C ATOM 693 OD1 ASN A 45 4.033 4.159 5.349 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.824 6.395 5.365 1.00 0.00 N ATOM 0 H ASN A 45 -0.488 4.302 6.074 1.00 0.00 H new ATOM 0 HA ASN A 45 0.867 5.244 3.919 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.470 6.039 6.064 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.734 4.427 6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.811 6.534 5.147 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.211 7.200 5.489 1.00 0.00 H new ATOM 701 N MET A 46 1.781 2.153 4.582 1.00 0.00 N ATOM 702 CA MET A 46 2.487 0.996 4.042 1.00 0.00 C ATOM 703 C MET A 46 1.692 0.354 2.910 1.00 0.00 C ATOM 704 O MET A 46 2.255 -0.039 1.888 1.00 0.00 O ATOM 705 CB MET A 46 2.746 -0.031 5.147 1.00 0.00 C ATOM 706 CG MET A 46 1.640 -1.064 5.286 1.00 0.00 C ATOM 707 SD MET A 46 1.935 -2.219 6.639 1.00 0.00 S ATOM 708 CE MET A 46 1.343 -1.265 8.034 1.00 0.00 C ATOM 0 H MET A 46 1.254 1.966 5.435 1.00 0.00 H new ATOM 0 HA MET A 46 3.442 1.337 3.642 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.687 -0.543 4.943 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.866 0.491 6.096 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.690 -0.554 5.449 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.548 -1.620 4.353 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.933 -1.508 8.918 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.439 -0.202 7.814 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.296 -1.504 8.220 1.00 0.00 H new ATOM 718 N LYS A 47 0.381 0.248 3.099 1.00 0.00 N ATOM 719 CA LYS A 47 -0.492 -0.346 2.093 1.00 0.00 C ATOM 720 C LYS A 47 -0.175 0.203 0.705 1.00 0.00 C ATOM 721 O LYS A 47 -0.490 -0.423 -0.307 1.00 0.00 O ATOM 722 CB LYS A 47 -1.958 -0.076 2.438 1.00 0.00 C ATOM 723 CG LYS A 47 -2.490 -0.952 3.560 1.00 0.00 C ATOM 724 CD LYS A 47 -4.004 -0.875 3.657 1.00 0.00 C ATOM 725 CE LYS A 47 -4.536 -1.751 4.781 1.00 0.00 C ATOM 726 NZ LYS A 47 -4.243 -3.192 4.546 1.00 0.00 N ATOM 0 H LYS A 47 -0.101 0.566 3.940 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.319 -1.422 2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.069 0.971 2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.567 -0.231 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.187 -1.985 3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.048 -0.641 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.307 0.158 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.447 -1.187 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.091 -1.439 5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.613 -1.610 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.789 -3.771 5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.508 -3.446 3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.227 -3.367 4.685 1.00 0.00 H new ATOM 740 N LEU A 48 0.449 1.375 0.666 1.00 0.00 N ATOM 741 CA LEU A 48 0.810 2.007 -0.598 1.00 0.00 C ATOM 742 C LEU A 48 2.235 1.643 -1.002 1.00 0.00 C ATOM 743 O LEU A 48 2.448 0.919 -1.974 1.00 0.00 O ATOM 744 CB LEU A 48 0.670 3.527 -0.489 1.00 0.00 C ATOM 745 CG LEU A 48 -0.728 4.051 -0.162 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.674 5.527 0.199 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.671 3.821 -1.334 1.00 0.00 C ATOM 0 H LEU A 48 0.715 1.907 1.495 1.00 0.00 H new ATOM 0 HA LEU A 48 0.130 1.640 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.358 3.881 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.991 3.970 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.109 3.501 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.679 5.882 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.032 5.666 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.272 6.093 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.662 4.200 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.294 4.344 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.734 2.754 -1.546 1.00 0.00 H new ATOM 759 N GLU A 49 3.206 2.150 -0.249 1.00 0.00 N ATOM 760 CA GLU A 49 4.610 1.876 -0.528 1.00 0.00 C ATOM 761 C GLU A 49 4.811 0.418 -0.932 1.00 0.00 C ATOM 762 O GLU A 49 5.633 0.108 -1.794 1.00 0.00 O ATOM 763 CB GLU A 49 5.470 2.201 0.695 1.00 0.00 C ATOM 764 CG GLU A 49 5.573 1.055 1.688 1.00 0.00 C ATOM 765 CD GLU A 49 6.516 1.361 2.836 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.729 1.510 2.582 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.040 1.451 3.987 1.00 0.00 O ATOM 0 H GLU A 49 3.046 2.752 0.558 1.00 0.00 H new ATOM 0 HA GLU A 49 4.918 2.511 -1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.472 2.474 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.054 3.072 1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.583 0.833 2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.916 0.160 1.170 1.00 0.00 H new ATOM 774 N VAL A 50 4.054 -0.474 -0.301 1.00 0.00 N ATOM 775 CA VAL A 50 4.147 -1.899 -0.594 1.00 0.00 C ATOM 776 C VAL A 50 3.834 -2.181 -2.059 1.00 0.00 C ATOM 777 O VAL A 50 4.527 -2.958 -2.714 1.00 0.00 O ATOM 778 CB VAL A 50 3.188 -2.718 0.291 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.660 -2.711 1.737 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.770 -2.177 0.182 1.00 0.00 C ATOM 0 H VAL A 50 3.370 -0.235 0.416 1.00 0.00 H new ATOM 0 HA VAL A 50 5.173 -2.199 -0.380 1.00 0.00 H new ATOM 0 HB VAL A 50 3.187 -3.749 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.971 -3.294 2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.657 -3.148 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.691 -1.685 2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.106 -2.767 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.751 -1.137 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.436 -2.239 -0.854 1.00 0.00 H new ATOM 790 N ALA A 51 2.784 -1.543 -2.568 1.00 0.00 N ATOM 791 CA ALA A 51 2.380 -1.723 -3.957 1.00 0.00 C ATOM 792 C ALA A 51 3.364 -1.048 -4.906 1.00 0.00 C ATOM 793 O ALA A 51 3.638 -1.554 -5.994 1.00 0.00 O ATOM 794 CB ALA A 51 0.976 -1.177 -4.173 1.00 0.00 C ATOM 0 H ALA A 51 2.198 -0.897 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 51 2.380 -2.791 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.687 -1.318 -5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.276 -1.707 -3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.958 -0.114 -3.932 1.00 0.00 H new ATOM 800 N TRP A 52 3.891 0.097 -4.488 1.00 0.00 N ATOM 801 CA TRP A 52 4.844 0.842 -5.303 1.00 0.00 C ATOM 802 C TRP A 52 6.157 0.079 -5.440 1.00 0.00 C ATOM 803 O TRP A 52 6.816 0.137 -6.478 1.00 0.00 O ATOM 804 CB TRP A 52 5.103 2.220 -4.691 1.00 0.00 C ATOM 805 CG TRP A 52 5.979 3.092 -5.539 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.595 4.188 -6.258 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.385 2.939 -5.758 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.678 4.725 -6.910 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.788 3.978 -6.619 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.344 2.027 -5.308 1.00 0.00 C ATOM 811 CZ2 TRP A 52 9.108 4.127 -7.039 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.653 2.176 -5.726 1.00 0.00 C ATOM 813 CH2 TRP A 52 10.025 3.220 -6.583 1.00 0.00 C ATOM 0 H TRP A 52 3.675 0.530 -3.590 1.00 0.00 H new ATOM 0 HA TRP A 52 4.413 0.968 -6.296 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.149 2.723 -4.530 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.567 2.094 -3.713 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.588 4.575 -6.307 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.659 5.547 -7.513 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.067 1.220 -4.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.397 4.930 -7.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.402 1.476 -5.386 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.057 3.311 -6.890 1.00 0.00 H new ATOM 824 N LYS A 53 6.533 -0.637 -4.385 1.00 0.00 N ATOM 825 CA LYS A 53 7.766 -1.414 -4.387 1.00 0.00 C ATOM 826 C LYS A 53 7.551 -2.775 -5.042 1.00 0.00 C ATOM 827 O LYS A 53 8.454 -3.317 -5.680 1.00 0.00 O ATOM 828 CB LYS A 53 8.279 -1.600 -2.957 1.00 0.00 C ATOM 829 CG LYS A 53 8.594 -0.294 -2.250 1.00 0.00 C ATOM 830 CD LYS A 53 10.003 0.184 -2.562 1.00 0.00 C ATOM 831 CE LYS A 53 11.047 -0.642 -1.827 1.00 0.00 C ATOM 832 NZ LYS A 53 12.424 -0.361 -2.319 1.00 0.00 N ATOM 0 H LYS A 53 6.000 -0.695 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 53 8.510 -0.866 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.532 -2.145 -2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.177 -2.217 -2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.875 0.467 -2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.484 -0.426 -1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.180 0.123 -3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.103 1.232 -2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.992 -0.429 -0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.826 -1.702 -1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.106 -0.944 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.484 -0.588 -3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.645 0.645 -2.176 1.00 0.00 H new ATOM 846 N ALA A 54 6.350 -3.321 -4.882 1.00 0.00 N ATOM 847 CA ALA A 54 6.016 -4.616 -5.461 1.00 0.00 C ATOM 848 C ALA A 54 5.697 -4.488 -6.947 1.00 0.00 C ATOM 849 O ALA A 54 5.178 -5.418 -7.564 1.00 0.00 O ATOM 850 CB ALA A 54 4.843 -5.239 -4.719 1.00 0.00 C ATOM 0 H ALA A 54 5.592 -2.886 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 54 6.884 -5.267 -5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.604 -6.206 -5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.107 -5.376 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.976 -4.582 -4.792 1.00 0.00 H new ATOM 856 N LYS A 55 6.011 -3.329 -7.516 1.00 0.00 N ATOM 857 CA LYS A 55 5.759 -3.078 -8.930 1.00 0.00 C ATOM 858 C LYS A 55 4.292 -3.317 -9.272 1.00 0.00 C ATOM 859 O LYS A 55 3.970 -3.862 -10.328 1.00 0.00 O ATOM 860 CB LYS A 55 6.647 -3.975 -9.795 1.00 0.00 C ATOM 861 CG LYS A 55 8.118 -3.596 -9.754 1.00 0.00 C ATOM 862 CD LYS A 55 8.845 -4.049 -11.009 1.00 0.00 C ATOM 863 CE LYS A 55 9.309 -5.493 -10.893 1.00 0.00 C ATOM 864 NZ LYS A 55 10.453 -5.783 -11.802 1.00 0.00 N ATOM 0 H LYS A 55 6.441 -2.548 -7.019 1.00 0.00 H new ATOM 0 HA LYS A 55 5.997 -2.034 -9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.537 -5.008 -9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.298 -3.931 -10.827 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.214 -2.515 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.586 -4.046 -8.879 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.185 -3.946 -11.870 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.704 -3.403 -11.186 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.602 -5.699 -9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.480 -6.161 -11.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.740 -6.777 -11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.166 -5.611 -12.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.253 -5.164 -11.562 1.00 0.00 H new ATOM 878 N LYS A 56 3.405 -2.903 -8.373 1.00 0.00 N ATOM 879 CA LYS A 56 1.971 -3.069 -8.580 1.00 0.00 C ATOM 880 C LYS A 56 1.433 -2.009 -9.535 1.00 0.00 C ATOM 881 O LYS A 56 2.156 -1.099 -9.941 1.00 0.00 O ATOM 882 CB LYS A 56 1.230 -2.990 -7.243 1.00 0.00 C ATOM 883 CG LYS A 56 1.347 -4.252 -6.407 1.00 0.00 C ATOM 884 CD LYS A 56 0.228 -5.232 -6.715 1.00 0.00 C ATOM 885 CE LYS A 56 -0.982 -4.995 -5.823 1.00 0.00 C ATOM 886 NZ LYS A 56 -2.104 -5.915 -6.156 1.00 0.00 N ATOM 0 H LYS A 56 3.654 -2.450 -7.494 1.00 0.00 H new ATOM 0 HA LYS A 56 1.804 -4.050 -9.024 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.619 -2.148 -6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.176 -2.786 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.310 -4.727 -6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.323 -3.992 -5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.065 -5.135 -7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.588 -6.252 -6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.697 -5.132 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.315 -3.963 -5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.909 -5.722 -5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.393 -5.766 -7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.794 -6.900 -6.030 1.00 0.00 H new ATOM 900 N LYS A 57 0.158 -2.130 -9.890 1.00 0.00 N ATOM 901 CA LYS A 57 -0.479 -1.182 -10.795 1.00 0.00 C ATOM 902 C LYS A 57 -1.322 -0.173 -10.021 1.00 0.00 C ATOM 903 O LYS A 57 -1.399 0.999 -10.391 1.00 0.00 O ATOM 904 CB LYS A 57 -1.354 -1.922 -11.809 1.00 0.00 C ATOM 905 CG LYS A 57 -1.845 -1.041 -12.946 1.00 0.00 C ATOM 906 CD LYS A 57 -0.733 -0.735 -13.934 1.00 0.00 C ATOM 907 CE LYS A 57 -0.512 -1.889 -14.901 1.00 0.00 C ATOM 908 NZ LYS A 57 -1.529 -1.903 -15.989 1.00 0.00 N ATOM 0 H LYS A 57 -0.455 -2.877 -9.564 1.00 0.00 H new ATOM 0 HA LYS A 57 0.305 -0.643 -11.326 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.788 -2.756 -12.225 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.214 -2.347 -11.292 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.666 -1.537 -13.463 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.240 -0.109 -12.541 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.980 0.167 -14.493 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.191 -0.531 -13.392 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.484 -1.813 -15.336 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.550 -2.832 -14.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.344 -2.704 -16.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.478 -2.002 -15.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.476 -1.014 -16.526 1.00 0.00 H new ATOM 922 N ASP A 58 -1.950 -0.635 -8.946 1.00 0.00 N ATOM 923 CA ASP A 58 -2.786 0.227 -8.118 1.00 0.00 C ATOM 924 C ASP A 58 -3.197 -0.485 -6.834 1.00 0.00 C ATOM 925 O ASP A 58 -3.342 -1.708 -6.807 1.00 0.00 O ATOM 926 CB ASP A 58 -4.029 0.666 -8.894 1.00 0.00 C ATOM 927 CG ASP A 58 -4.645 -0.468 -9.689 1.00 0.00 C ATOM 928 OD1 ASP A 58 -5.194 -1.400 -9.065 1.00 0.00 O ATOM 929 OD2 ASP A 58 -4.578 -0.425 -10.936 1.00 0.00 O ATOM 0 H ASP A 58 -1.896 -1.602 -8.627 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.204 1.109 -7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.768 1.061 -8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.763 1.478 -9.571 1.00 0.00 H new ATOM 934 N THR A 59 -3.383 0.288 -5.768 1.00 0.00 N ATOM 935 CA THR A 59 -3.776 -0.269 -4.479 1.00 0.00 C ATOM 936 C THR A 59 -5.021 0.424 -3.938 1.00 0.00 C ATOM 937 O THR A 59 -5.152 1.645 -4.025 1.00 0.00 O ATOM 938 CB THR A 59 -2.642 -0.144 -3.445 1.00 0.00 C ATOM 939 OG1 THR A 59 -3.019 -0.789 -2.223 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.316 1.317 -3.173 1.00 0.00 C ATOM 0 H THR A 59 -3.268 1.301 -5.772 1.00 0.00 H new ATOM 0 HA THR A 59 -3.994 -1.324 -4.643 1.00 0.00 H new ATOM 0 HB THR A 59 -1.755 -0.628 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.279 -0.734 -1.582 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.512 1.380 -2.440 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.001 1.798 -4.099 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.201 1.821 -2.785 1.00 0.00 H new ATOM 948 N VAL A 60 -5.934 -0.364 -3.377 1.00 0.00 N ATOM 949 CA VAL A 60 -7.169 0.175 -2.819 1.00 0.00 C ATOM 950 C VAL A 60 -6.995 0.537 -1.349 1.00 0.00 C ATOM 951 O VAL A 60 -6.395 -0.214 -0.580 1.00 0.00 O ATOM 952 CB VAL A 60 -8.330 -0.828 -2.956 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.452 -0.480 -1.990 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.839 -0.860 -4.389 1.00 0.00 C ATOM 0 H VAL A 60 -5.841 -1.377 -3.297 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.407 1.075 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.961 -1.822 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.264 -1.199 -2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.075 -0.513 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.822 0.522 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.659 -1.574 -4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.192 0.132 -4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.031 -1.161 -5.056 1.00 0.00 H new ATOM 964 N VAL A 61 -7.526 1.693 -0.963 1.00 0.00 N ATOM 965 CA VAL A 61 -7.431 2.155 0.417 1.00 0.00 C ATOM 966 C VAL A 61 -8.698 2.890 0.838 1.00 0.00 C ATOM 967 O VAL A 61 -9.281 3.640 0.055 1.00 0.00 O ATOM 968 CB VAL A 61 -6.220 3.086 0.615 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.921 2.329 0.387 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.316 4.289 -0.312 1.00 0.00 C ATOM 0 H VAL A 61 -8.026 2.327 -1.586 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.304 1.269 1.040 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.226 3.447 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.077 3.003 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.852 1.504 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.902 1.937 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.452 4.936 -0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.336 3.950 -1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.228 4.844 -0.094 1.00 0.00 H new ATOM 980 N GLN A 62 -9.118 2.671 2.080 1.00 0.00 N ATOM 981 CA GLN A 62 -10.317 3.313 2.605 1.00 0.00 C ATOM 982 C GLN A 62 -10.043 4.771 2.959 1.00 0.00 C ATOM 983 O GLN A 62 -9.411 5.065 3.975 1.00 0.00 O ATOM 984 CB GLN A 62 -10.825 2.563 3.838 1.00 0.00 C ATOM 985 CG GLN A 62 -11.489 1.235 3.511 1.00 0.00 C ATOM 986 CD GLN A 62 -10.685 0.406 2.530 1.00 0.00 C ATOM 987 OE1 GLN A 62 -11.129 0.142 1.412 1.00 0.00 O ATOM 988 NE2 GLN A 62 -9.494 -0.011 2.943 1.00 0.00 N ATOM 0 H GLN A 62 -8.646 2.054 2.741 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.083 3.284 1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.989 2.385 4.515 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.537 3.195 4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.629 0.667 4.431 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.480 1.421 3.097 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.165 0.231 3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.908 -0.573 2.326 1.00 0.00 H new ATOM 997 N ILE A 63 -10.521 5.680 2.116 1.00 0.00 N ATOM 998 CA ILE A 63 -10.328 7.107 2.342 1.00 0.00 C ATOM 999 C ILE A 63 -11.659 7.810 2.584 1.00 0.00 C ATOM 1000 O ILE A 63 -12.571 7.738 1.759 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.617 7.774 1.149 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.189 7.242 1.016 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.611 9.286 1.314 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.473 7.734 -0.222 1.00 0.00 C ATOM 0 H ILE A 63 -11.045 5.454 1.270 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.702 7.205 3.229 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.162 7.530 0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.617 7.535 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.216 6.152 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.105 9.743 0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.637 9.651 1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.086 9.550 2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.466 7.317 -0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.022 7.418 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.414 8.822 -0.200 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.764 8.492 3.720 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.983 9.212 4.070 1.00 0.00 C ATOM 1018 C HIS A 64 -14.148 8.246 4.264 1.00 0.00 C ATOM 1019 O HIS A 64 -15.284 8.548 3.902 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.327 10.233 2.985 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.266 11.270 2.779 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -12.515 12.498 2.204 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -10.946 11.257 3.079 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -11.394 13.195 2.156 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -10.427 12.465 2.681 1.00 0.00 N ATOM 0 H HIS A 64 -11.020 8.561 4.414 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.809 9.736 5.010 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.498 9.708 2.045 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.262 10.729 3.248 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.402 10.448 3.544 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.287 14.192 1.756 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.453 12.752 2.776 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.856 7.083 4.837 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.879 6.071 5.077 1.00 0.00 C ATOM 1036 C ASN A 65 -15.416 5.518 3.761 1.00 0.00 C ATOM 1037 O ASN A 65 -16.557 5.062 3.689 1.00 0.00 O ATOM 1038 CB ASN A 65 -16.025 6.661 5.902 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.544 7.282 7.199 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -14.587 8.056 7.213 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -16.208 6.943 8.298 1.00 0.00 N ATOM 0 H ASN A 65 -12.920 6.818 5.144 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.423 5.253 5.634 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.543 7.416 5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.750 5.878 6.124 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.930 7.328 9.201 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.996 6.298 8.239 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.586 5.560 2.725 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.978 5.063 1.411 1.00 0.00 C ATOM 1050 C GLN A 66 -13.782 4.473 0.673 1.00 0.00 C ATOM 1051 O GLN A 66 -12.732 5.107 0.566 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.601 6.187 0.582 1.00 0.00 C ATOM 1053 CG GLN A 66 -15.029 7.561 0.892 1.00 0.00 C ATOM 1054 CD GLN A 66 -16.017 8.679 0.625 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -17.228 8.456 0.583 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.506 9.891 0.444 1.00 0.00 N ATOM 0 H GLN A 66 -13.638 5.933 2.769 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.717 4.275 1.554 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.453 5.971 -0.476 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.677 6.203 0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.722 7.595 1.937 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.134 7.721 0.291 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.497 10.031 0.487 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.123 10.683 0.262 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.947 3.257 0.165 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.880 2.581 -0.565 1.00 0.00 C ATOM 1067 C ASP A 67 -12.496 3.365 -1.816 1.00 0.00 C ATOM 1068 O ASP A 67 -13.360 3.800 -2.578 1.00 0.00 O ATOM 1069 CB ASP A 67 -13.312 1.165 -0.948 1.00 0.00 C ATOM 1070 CG ASP A 67 -14.764 1.100 -1.379 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -15.083 1.613 -2.472 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -15.582 0.535 -0.623 1.00 0.00 O ATOM 0 H ASP A 67 -14.810 2.719 0.245 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.008 2.522 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.679 0.802 -1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.158 0.499 -0.099 1.00 0.00 H new ATOM 1077 N PHE A 68 -11.195 3.544 -2.020 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.697 4.278 -3.177 1.00 0.00 C ATOM 1079 C PHE A 68 -9.639 3.467 -3.921 1.00 0.00 C ATOM 1080 O PHE A 68 -9.112 2.485 -3.399 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.112 5.623 -2.742 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.106 6.748 -2.777 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.338 6.622 -2.157 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.808 7.933 -3.431 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.255 7.656 -2.189 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.720 8.971 -3.466 1.00 0.00 C ATOM 1087 CZ PHE A 68 -12.945 8.832 -2.843 1.00 0.00 C ATOM 0 H PHE A 68 -10.467 3.191 -1.399 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.535 4.456 -3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.718 5.529 -1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.271 5.871 -3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.585 5.705 -1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.851 8.047 -3.919 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.213 7.544 -1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.475 9.889 -3.980 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.659 9.642 -2.867 1.00 0.00 H new ATOM 1097 N THR A 69 -9.334 3.887 -5.145 1.00 0.00 N ATOM 1098 CA THR A 69 -8.341 3.200 -5.962 1.00 0.00 C ATOM 1099 C THR A 69 -7.133 4.093 -6.226 1.00 0.00 C ATOM 1100 O THR A 69 -7.211 5.048 -6.998 1.00 0.00 O ATOM 1101 CB THR A 69 -8.936 2.751 -7.310 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.134 1.997 -7.089 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.937 1.909 -8.089 1.00 0.00 C ATOM 0 H THR A 69 -9.760 4.699 -5.592 1.00 0.00 H new ATOM 0 HA THR A 69 -8.024 2.320 -5.401 1.00 0.00 H new ATOM 0 HB THR A 69 -9.170 3.641 -7.894 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.508 1.716 -7.950 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.380 1.604 -9.037 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.038 2.495 -8.280 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.676 1.024 -7.509 1.00 0.00 H new ATOM 1111 N VAL A 70 -6.016 3.775 -5.579 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.791 4.547 -5.745 1.00 0.00 C ATOM 1113 C VAL A 70 -3.909 3.951 -6.835 1.00 0.00 C ATOM 1114 O VAL A 70 -3.435 2.821 -6.716 1.00 0.00 O ATOM 1115 CB VAL A 70 -3.989 4.617 -4.432 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.682 5.365 -4.643 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.817 5.272 -3.336 1.00 0.00 C ATOM 0 H VAL A 70 -5.935 2.988 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.089 5.555 -6.034 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.751 3.601 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.129 5.404 -3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.085 4.849 -5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.894 6.379 -4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.235 5.313 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.088 6.283 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.723 4.689 -3.167 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.692 4.717 -7.898 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.864 4.265 -9.011 1.00 0.00 C ATOM 1129 C ASP A 71 -1.426 4.748 -8.850 1.00 0.00 C ATOM 1130 O ASP A 71 -1.162 5.951 -8.835 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.438 4.766 -10.337 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.084 3.859 -11.500 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -3.713 2.789 -11.631 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -2.178 4.222 -12.279 1.00 0.00 O ATOM 0 H ASP A 71 -4.078 5.654 -8.013 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.864 3.175 -9.013 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.522 4.841 -10.255 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.063 5.770 -10.536 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.501 3.803 -8.729 1.00 0.00 N ATOM 1140 CA LEU A 72 0.912 4.132 -8.568 1.00 0.00 C ATOM 1141 C LEU A 72 1.495 4.678 -9.867 1.00 0.00 C ATOM 1142 O LEU A 72 2.279 5.627 -9.856 1.00 0.00 O ATOM 1143 CB LEU A 72 1.696 2.895 -8.123 1.00 0.00 C ATOM 1144 CG LEU A 72 1.143 2.152 -6.907 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.556 0.689 -6.943 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.618 2.810 -5.619 1.00 0.00 C ATOM 0 H LEU A 72 -0.703 2.803 -8.739 1.00 0.00 H new ATOM 0 HA LEU A 72 0.996 4.903 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.742 2.198 -8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.720 3.198 -7.904 1.00 0.00 H new ATOM 0 HG LEU A 72 0.055 2.202 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.153 0.176 -6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.167 0.223 -7.849 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.644 0.618 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.215 2.268 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.707 2.790 -5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.273 3.843 -5.589 1.00 0.00 H new ATOM 1158 N SER A 73 1.106 4.074 -10.985 1.00 0.00 N ATOM 1159 CA SER A 73 1.591 4.499 -12.292 1.00 0.00 C ATOM 1160 C SER A 73 1.530 6.018 -12.427 1.00 0.00 C ATOM 1161 O SER A 73 2.530 6.667 -12.734 1.00 0.00 O ATOM 1162 CB SER A 73 0.769 3.843 -13.403 1.00 0.00 C ATOM 1163 OG SER A 73 1.539 3.684 -14.582 1.00 0.00 O ATOM 0 H SER A 73 0.456 3.288 -11.012 1.00 0.00 H new ATOM 0 HA SER A 73 2.631 4.185 -12.386 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.408 2.871 -13.067 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.109 4.452 -13.618 1.00 0.00 H new ATOM 0 HG SER A 73 0.991 3.261 -15.276 1.00 0.00 H new ATOM 1169 N THR A 74 0.347 6.579 -12.196 1.00 0.00 N ATOM 1170 CA THR A 74 0.152 8.020 -12.292 1.00 0.00 C ATOM 1171 C THR A 74 0.227 8.678 -10.919 1.00 0.00 C ATOM 1172 O THR A 74 0.527 9.865 -10.805 1.00 0.00 O ATOM 1173 CB THR A 74 -1.203 8.362 -12.940 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.355 9.782 -13.036 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.351 7.777 -12.131 1.00 0.00 C ATOM 0 H THR A 74 -0.491 6.056 -11.941 1.00 0.00 H new ATOM 0 HA THR A 74 0.954 8.406 -12.921 1.00 0.00 H new ATOM 0 HB THR A 74 -1.224 7.927 -13.939 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.218 9.991 -13.450 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.298 8.031 -12.607 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.248 6.693 -12.084 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.331 8.187 -11.121 1.00 0.00 H new ATOM 1183 N ASN A 75 -0.047 7.898 -9.879 1.00 0.00 N ATOM 1184 CA ASN A 75 -0.010 8.406 -8.512 1.00 0.00 C ATOM 1185 C ASN A 75 -1.229 9.277 -8.223 1.00 0.00 C ATOM 1186 O ASN A 75 -1.104 10.384 -7.697 1.00 0.00 O ATOM 1187 CB ASN A 75 1.271 9.208 -8.278 1.00 0.00 C ATOM 1188 CG ASN A 75 2.470 8.601 -8.983 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.708 8.862 -10.162 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.230 7.786 -8.261 1.00 0.00 N ATOM 0 H ASN A 75 -0.297 6.912 -9.956 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.025 7.553 -7.833 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.126 10.230 -8.628 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.472 9.263 -7.208 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.050 7.347 -8.681 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.994 7.599 -7.286 1.00 0.00 H new ATOM 1197 N THR A 76 -2.408 8.770 -8.569 1.00 0.00 N ATOM 1198 CA THR A 76 -3.649 9.501 -8.348 1.00 0.00 C ATOM 1199 C THR A 76 -4.745 8.579 -7.826 1.00 0.00 C ATOM 1200 O THR A 76 -4.898 7.453 -8.298 1.00 0.00 O ATOM 1201 CB THR A 76 -4.139 10.182 -9.640 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.165 11.129 -10.094 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.469 10.883 -9.412 1.00 0.00 C ATOM 0 H THR A 76 -2.529 7.855 -9.004 1.00 0.00 H new ATOM 0 HA THR A 76 -3.435 10.266 -7.602 1.00 0.00 H new ATOM 0 HB THR A 76 -4.279 9.413 -10.400 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.483 11.557 -10.917 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.794 11.356 -10.338 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.215 10.154 -9.095 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.352 11.642 -8.638 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.505 9.064 -6.850 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.589 8.284 -6.266 1.00 0.00 C ATOM 1213 C ALA A 77 -7.929 8.646 -6.898 1.00 0.00 C ATOM 1214 O ALA A 77 -8.175 9.805 -7.236 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.639 8.494 -4.760 1.00 0.00 C ATOM 0 H ALA A 77 -5.390 9.994 -6.447 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.395 7.231 -6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.453 7.905 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.695 8.178 -4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.805 9.550 -4.545 1.00 0.00 H new ATOM 1221 N THR A 78 -8.793 7.649 -7.055 1.00 0.00 N ATOM 1222 CA THR A 78 -10.108 7.863 -7.648 1.00 0.00 C ATOM 1223 C THR A 78 -11.150 6.944 -7.020 1.00 0.00 C ATOM 1224 O THR A 78 -10.835 5.834 -6.591 1.00 0.00 O ATOM 1225 CB THR A 78 -10.082 7.628 -9.170 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.928 8.253 -9.743 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.341 8.179 -9.823 1.00 0.00 C ATOM 0 H THR A 78 -8.606 6.685 -6.780 1.00 0.00 H new ATOM 0 HA THR A 78 -10.379 8.901 -7.453 1.00 0.00 H new ATOM 0 HB THR A 78 -10.039 6.554 -9.349 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.918 8.098 -10.711 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.301 8.002 -10.898 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.216 7.680 -9.405 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.410 9.250 -9.634 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.392 7.412 -6.971 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.481 6.631 -6.399 1.00 0.00 C ATOM 1237 C ALA A 79 -14.760 6.792 -7.214 1.00 0.00 C ATOM 1238 O ALA A 79 -14.978 7.806 -7.879 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.720 7.039 -4.953 1.00 0.00 C ATOM 0 H ALA A 79 -12.669 8.329 -7.321 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.194 5.580 -6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.536 6.448 -4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.814 6.866 -4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.981 8.097 -4.912 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.628 5.771 -7.164 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.900 5.776 -7.892 1.00 0.00 C ATOM 1247 C PRO A 80 -17.894 6.777 -7.314 1.00 0.00 C ATOM 1248 O PRO A 80 -19.034 6.866 -7.771 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.416 4.346 -7.714 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.781 3.868 -6.454 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.434 4.532 -6.392 1.00 0.00 C ATOM 0 HA PRO A 80 -16.773 6.071 -8.934 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.503 4.324 -7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.139 3.717 -8.560 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.387 4.132 -5.587 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.681 2.783 -6.454 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.136 4.741 -5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.656 3.905 -6.828 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.456 7.527 -6.309 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.309 8.521 -5.669 1.00 0.00 C ATOM 1261 C GLN A 81 -18.215 9.863 -6.388 1.00 0.00 C ATOM 1262 O GLN A 81 -19.204 10.583 -6.511 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.919 8.689 -4.199 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.912 7.384 -3.419 1.00 0.00 C ATOM 1265 CD GLN A 81 -19.291 6.764 -3.307 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -20.295 7.387 -3.653 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -19.347 5.529 -2.822 1.00 0.00 N ATOM 0 H GLN A 81 -16.515 7.465 -5.920 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.339 8.169 -5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.929 9.141 -4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.613 9.383 -3.724 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -17.239 6.678 -3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.517 7.565 -2.419 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -18.490 5.050 -2.547 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.247 5.060 -2.724 1.00 0.00 H new ATOM 1276 N GLY A 82 -17.017 10.192 -6.862 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.815 11.447 -7.562 1.00 0.00 C ATOM 1278 C GLY A 82 -15.729 12.296 -6.932 1.00 0.00 C ATOM 1279 O GLY A 82 -15.829 13.522 -6.904 1.00 0.00 O ATOM 0 H GLY A 82 -16.183 9.612 -6.774 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.555 11.242 -8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.750 12.008 -7.572 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.689 11.641 -6.424 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.581 12.344 -5.789 1.00 0.00 C ATOM 1285 C GLN A 83 -12.243 11.753 -6.220 1.00 0.00 C ATOM 1286 O GLN A 83 -12.103 10.537 -6.355 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.714 12.279 -4.266 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.777 13.211 -3.708 1.00 0.00 C ATOM 1289 CD GLN A 83 -16.138 12.551 -3.609 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -16.810 12.333 -4.618 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.553 12.228 -2.390 1.00 0.00 N ATOM 0 H GLN A 83 -14.591 10.626 -6.440 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.616 13.386 -6.106 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.950 11.256 -3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.753 12.526 -3.815 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.471 13.554 -2.720 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.851 14.094 -4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -15.964 12.427 -1.581 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.461 11.781 -2.262 1.00 0.00 H new ATOM 1300 N THR A 84 -11.260 12.622 -6.436 1.00 0.00 N ATOM 1301 CA THR A 84 -9.933 12.187 -6.854 1.00 0.00 C ATOM 1302 C THR A 84 -8.844 12.988 -6.149 1.00 0.00 C ATOM 1303 O THR A 84 -9.015 14.175 -5.870 1.00 0.00 O ATOM 1304 CB THR A 84 -9.751 12.323 -8.377 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.605 13.703 -8.732 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.937 11.726 -9.120 1.00 0.00 C ATOM 0 H THR A 84 -11.358 13.632 -6.328 1.00 0.00 H new ATOM 0 HA THR A 84 -9.843 11.136 -6.578 1.00 0.00 H new ATOM 0 HB THR A 84 -8.852 11.777 -8.663 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.488 13.781 -9.702 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.785 11.834 -10.194 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.028 10.669 -8.871 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.849 12.247 -8.828 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.724 12.332 -5.864 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.607 12.984 -5.192 1.00 0.00 C ATOM 1316 C PHE A 85 -5.281 12.597 -5.840 1.00 0.00 C ATOM 1317 O PHE A 85 -5.237 11.757 -6.739 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.590 12.612 -3.708 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.950 12.301 -3.152 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.853 13.317 -2.885 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.326 10.992 -2.897 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.106 13.034 -2.374 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.577 10.703 -2.386 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.468 11.725 -2.124 1.00 0.00 C ATOM 0 H PHE A 85 -7.566 11.350 -6.088 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.737 14.062 -5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.942 11.747 -3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.154 13.434 -3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.575 14.342 -3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.634 10.188 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.801 13.835 -2.171 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.858 9.678 -2.192 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.446 11.501 -1.724 1.00 0.00 H new ATOM 1334 N THR A 86 -4.199 13.216 -5.377 1.00 0.00 N ATOM 1335 CA THR A 86 -2.872 12.939 -5.911 1.00 0.00 C ATOM 1336 C THR A 86 -1.948 12.390 -4.831 1.00 0.00 C ATOM 1337 O THR A 86 -1.754 13.016 -3.788 1.00 0.00 O ATOM 1338 CB THR A 86 -2.237 14.203 -6.521 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.053 14.695 -7.590 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.837 13.908 -7.040 1.00 0.00 C ATOM 0 H THR A 86 -4.217 13.913 -4.633 1.00 0.00 H new ATOM 0 HA THR A 86 -2.996 12.190 -6.693 1.00 0.00 H new ATOM 0 HB THR A 86 -2.167 14.960 -5.740 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.643 15.499 -7.971 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.408 14.815 -7.466 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.210 13.562 -6.219 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.889 13.136 -7.808 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.378 11.217 -5.086 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.472 10.584 -4.135 1.00 0.00 C ATOM 1350 C VAL A 87 0.984 10.859 -4.496 1.00 0.00 C ATOM 1351 O VAL A 87 1.363 10.808 -5.666 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.695 9.061 -4.074 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.885 8.731 -3.186 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.889 8.496 -5.473 1.00 0.00 C ATOM 0 H VAL A 87 -1.528 10.685 -5.944 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.689 11.015 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 87 0.191 8.598 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.027 7.651 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.701 9.102 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.781 9.204 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.045 7.419 -5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.758 8.963 -5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.003 8.701 -6.074 1.00 0.00 H new ATOM 1364 N GLN A 88 1.794 11.151 -3.484 1.00 0.00 N ATOM 1365 CA GLN A 88 3.209 11.434 -3.695 1.00 0.00 C ATOM 1366 C GLN A 88 4.074 10.645 -2.719 1.00 0.00 C ATOM 1367 O GLN A 88 3.712 10.470 -1.555 1.00 0.00 O ATOM 1368 CB GLN A 88 3.479 12.932 -3.540 1.00 0.00 C ATOM 1369 CG GLN A 88 3.174 13.464 -2.149 1.00 0.00 C ATOM 1370 CD GLN A 88 2.823 14.938 -2.152 1.00 0.00 C ATOM 1371 OE1 GLN A 88 3.064 15.644 -3.133 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.250 15.413 -1.053 1.00 0.00 N ATOM 0 H GLN A 88 1.495 11.198 -2.510 1.00 0.00 H new ATOM 0 HA GLN A 88 3.468 11.128 -4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.525 13.130 -3.775 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.880 13.478 -4.268 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.346 12.898 -1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.038 13.301 -1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.069 14.793 -0.264 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.991 16.398 -0.998 1.00 0.00 H new ATOM 1381 N ARG A 89 5.218 10.170 -3.200 1.00 0.00 N ATOM 1382 CA ARG A 89 6.135 9.398 -2.370 1.00 0.00 C ATOM 1383 C ARG A 89 7.279 10.272 -1.865 1.00 0.00 C ATOM 1384 O ARG A 89 7.897 11.009 -2.634 1.00 0.00 O ATOM 1385 CB ARG A 89 6.694 8.211 -3.157 1.00 0.00 C ATOM 1386 CG ARG A 89 7.261 7.109 -2.278 1.00 0.00 C ATOM 1387 CD ARG A 89 7.451 5.817 -3.056 1.00 0.00 C ATOM 1388 NE ARG A 89 7.949 4.736 -2.210 1.00 0.00 N ATOM 1389 CZ ARG A 89 9.234 4.559 -1.923 1.00 0.00 C ATOM 1390 NH1 ARG A 89 10.146 5.387 -2.413 1.00 0.00 N ATOM 1391 NH2 ARG A 89 9.609 3.552 -1.145 1.00 0.00 N ATOM 0 H ARG A 89 5.532 10.306 -4.161 1.00 0.00 H new ATOM 0 HA ARG A 89 5.579 9.025 -1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.903 7.795 -3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.476 8.567 -3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.217 7.429 -1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.591 6.933 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.502 5.520 -3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.149 5.987 -3.875 1.00 0.00 H new ATOM 0 HE ARG A 89 7.273 4.081 -1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.862 6.162 -3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.132 5.249 -2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.910 2.912 -0.766 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.596 3.417 -0.925 1.00 0.00 H new ATOM 1405 N LEU A 90 7.556 10.184 -0.569 1.00 0.00 N ATOM 1406 CA LEU A 90 8.626 10.967 0.039 1.00 0.00 C ATOM 1407 C LEU A 90 9.460 10.108 0.984 1.00 0.00 C ATOM 1408 O LEU A 90 8.948 9.183 1.614 1.00 0.00 O ATOM 1409 CB LEU A 90 8.043 12.161 0.797 1.00 0.00 C ATOM 1410 CG LEU A 90 6.945 12.943 0.076 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.577 12.365 0.401 1.00 0.00 C ATOM 1412 CD2 LEU A 90 7.006 14.417 0.451 1.00 0.00 C ATOM 0 H LEU A 90 7.055 9.579 0.081 1.00 0.00 H new ATOM 0 HA LEU A 90 9.274 11.332 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.643 11.803 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.856 12.848 1.032 1.00 0.00 H new ATOM 0 HG LEU A 90 7.108 12.855 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.808 12.934 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.537 11.324 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.404 12.422 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.217 14.958 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.869 14.525 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.976 14.825 0.166 1.00 0.00 H new