USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=17 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 Set 2.1: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 62 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.67) USER MOD Set 3.1: A 57 LYS NZ :NH3+ -178:sc=-0.00342 (180deg=-0.0137) USER MOD Set 3.2: A 73 SER OG : rot -178:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.892 K(o=-0.89,f=-3.8!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.36) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.402 K(o=-0.4,f=-1.3) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.234) USER MOD Single : A 43 MET CE :methyl -163:sc= -0.0409 (180deg=-0.434) USER MOD Single : A 44 THR OG1 : rot 75:sc= 0.374 USER MOD Single : A 45 ASN : amide:sc= -0.973 X(o=-0.97,f=-0.79) USER MOD Single : A 46 MET CE :methyl -141:sc= -0.0911 (180deg=-1.77) 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 59 THR OG1 : rot -159:sc= 0.0108 USER MOD Single : A 64 HIS :FLIP no HD1:sc= -2.27 F(o=-5!,f=-2.3) USER MOD Single : A 65 ASN : amide:sc= -0.593 X(o=-0.59,f=-0.43) USER MOD Single : A 66 GLN : amide:sc= -0.0584 K(o=-0.058,f=-0.68) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -3.21! C(o=-3.2!,f=-4.8!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : A 81 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.4) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) 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= -2.65 K(o=-2.6,f=-3.2) USER MOD ----------------------------------------------------------------- ATOM 397 N GLU A 28 7.314 7.748 3.293 1.00 0.00 N ATOM 398 CA GLU A 28 6.195 8.637 3.582 1.00 0.00 C ATOM 399 C GLU A 28 5.234 8.704 2.399 1.00 0.00 C ATOM 400 O GLU A 28 5.654 8.864 1.253 1.00 0.00 O ATOM 401 CB GLU A 28 6.704 10.040 3.920 1.00 0.00 C ATOM 402 CG GLU A 28 5.627 10.964 4.462 1.00 0.00 C ATOM 403 CD GLU A 28 6.185 12.039 5.375 1.00 0.00 C ATOM 404 OE1 GLU A 28 6.732 13.033 4.854 1.00 0.00 O ATOM 405 OE2 GLU A 28 6.075 11.885 6.609 1.00 0.00 O ATOM 0 HA GLU A 28 5.658 8.236 4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.505 9.959 4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.136 10.486 3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.105 11.435 3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.890 10.375 5.008 1.00 0.00 H new ATOM 412 N TRP A 29 3.943 8.580 2.685 1.00 0.00 N ATOM 413 CA TRP A 29 2.922 8.625 1.645 1.00 0.00 C ATOM 414 C TRP A 29 1.807 9.595 2.019 1.00 0.00 C ATOM 415 O TRP A 29 1.085 9.379 2.992 1.00 0.00 O ATOM 416 CB TRP A 29 2.342 7.229 1.409 1.00 0.00 C ATOM 417 CG TRP A 29 3.251 6.334 0.622 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.318 5.627 1.098 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.173 6.052 -0.779 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.908 4.923 0.076 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.224 5.166 -1.085 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.316 6.461 -1.805 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.440 4.684 -2.374 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.532 5.982 -3.083 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.586 5.100 -3.359 1.00 0.00 C ATOM 0 H TRP A 29 3.579 8.448 3.628 1.00 0.00 H new ATOM 0 HA TRP A 29 3.391 8.976 0.726 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.130 6.764 2.372 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.391 7.322 0.884 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.649 5.622 2.126 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.724 4.317 0.167 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.500 7.139 -1.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.253 4.006 -2.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.877 6.293 -3.884 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.727 4.742 -4.368 1.00 0.00 H new ATOM 436 N GLN A 30 1.672 10.664 1.240 1.00 0.00 N ATOM 437 CA GLN A 30 0.644 11.667 1.492 1.00 0.00 C ATOM 438 C GLN A 30 -0.218 11.886 0.253 1.00 0.00 C ATOM 439 O GLN A 30 0.239 11.695 -0.875 1.00 0.00 O ATOM 440 CB GLN A 30 1.285 12.988 1.922 1.00 0.00 C ATOM 441 CG GLN A 30 2.240 12.846 3.096 1.00 0.00 C ATOM 442 CD GLN A 30 2.661 14.185 3.670 1.00 0.00 C ATOM 443 OE1 GLN A 30 1.889 14.845 4.366 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.891 14.593 3.381 1.00 0.00 N ATOM 0 H GLN A 30 2.261 10.857 0.430 1.00 0.00 H new ATOM 0 HA GLN A 30 0.006 11.302 2.297 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.824 13.414 1.075 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.499 13.695 2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.764 12.253 3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.126 12.298 2.775 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.497 14.014 2.800 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.230 15.486 3.740 1.00 0.00 H new ATOM 453 N TYR A 31 -1.465 12.287 0.469 1.00 0.00 N ATOM 454 CA TYR A 31 -2.392 12.529 -0.630 1.00 0.00 C ATOM 455 C TYR A 31 -2.836 13.988 -0.657 1.00 0.00 C ATOM 456 O TYR A 31 -3.016 14.613 0.389 1.00 0.00 O ATOM 457 CB TYR A 31 -3.613 11.615 -0.506 1.00 0.00 C ATOM 458 CG TYR A 31 -4.436 11.870 0.736 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.007 11.425 1.980 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.644 12.554 0.665 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.756 11.654 3.118 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.398 12.789 1.798 1.00 0.00 C ATOM 463 CZ TYR A 31 -5.951 12.337 3.022 1.00 0.00 C ATOM 464 OH TYR A 31 -6.701 12.568 4.152 1.00 0.00 O ATOM 0 H TYR A 31 -1.858 12.452 1.396 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.874 12.308 -1.563 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.245 11.746 -1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.281 10.577 -0.505 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.072 10.891 2.059 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.999 12.907 -0.292 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.408 11.300 4.077 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.333 13.324 1.726 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.512 13.062 3.911 1.00 0.00 H new ATOM 474 N ILE A 32 -3.011 14.525 -1.860 1.00 0.00 N ATOM 475 CA ILE A 32 -3.435 15.909 -2.024 1.00 0.00 C ATOM 476 C ILE A 32 -4.934 15.997 -2.290 1.00 0.00 C ATOM 477 O ILE A 32 -5.401 15.669 -3.381 1.00 0.00 O ATOM 478 CB ILE A 32 -2.679 16.597 -3.177 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.264 16.974 -2.734 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.438 17.828 -3.648 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.235 15.904 -3.024 1.00 0.00 C ATOM 0 H ILE A 32 -2.865 14.022 -2.735 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.203 16.423 -1.091 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.605 15.899 -4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.969 17.896 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.270 17.180 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.891 18.303 -4.463 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.427 17.534 -3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.540 18.531 -2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.745 16.239 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.506 14.987 -2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.201 15.714 -4.097 1.00 0.00 H new ATOM 493 N ASP A 33 -5.682 16.444 -1.288 1.00 0.00 N ATOM 494 CA ASP A 33 -7.129 16.578 -1.414 1.00 0.00 C ATOM 495 C ASP A 33 -7.489 17.785 -2.273 1.00 0.00 C ATOM 496 O ASP A 33 -6.641 18.627 -2.569 1.00 0.00 O ATOM 497 CB ASP A 33 -7.773 16.709 -0.033 1.00 0.00 C ATOM 498 CG ASP A 33 -9.287 16.728 -0.099 1.00 0.00 C ATOM 499 OD1 ASP A 33 -9.896 15.638 -0.082 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.863 17.834 -0.168 1.00 0.00 O ATOM 0 H ASP A 33 -5.311 16.720 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.511 15.681 -1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.450 15.879 0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.422 17.624 0.443 1.00 0.00 H new ATOM 505 N LYS A 34 -8.754 17.864 -2.673 1.00 0.00 N ATOM 506 CA LYS A 34 -9.229 18.968 -3.499 1.00 0.00 C ATOM 507 C LYS A 34 -8.403 20.227 -3.252 1.00 0.00 C ATOM 508 O LYS A 34 -7.582 20.614 -4.082 1.00 0.00 O ATOM 509 CB LYS A 34 -10.705 19.249 -3.212 1.00 0.00 C ATOM 510 CG LYS A 34 -11.612 18.057 -3.465 1.00 0.00 C ATOM 511 CD LYS A 34 -12.175 18.075 -4.877 1.00 0.00 C ATOM 512 CE LYS A 34 -12.788 16.734 -5.250 1.00 0.00 C ATOM 513 NZ LYS A 34 -14.136 16.552 -4.645 1.00 0.00 N ATOM 0 H LYS A 34 -9.469 17.176 -2.438 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.117 18.681 -4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.811 19.562 -2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.034 20.083 -3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.054 17.134 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.431 18.062 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.930 18.857 -4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.382 18.323 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.864 16.659 -6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.130 15.930 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.519 15.626 -4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.061 16.598 -3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.771 17.304 -4.980 1.00 0.00 H new ATOM 527 N ASN A 35 -8.626 20.859 -2.104 1.00 0.00 N ATOM 528 CA ASN A 35 -7.902 22.073 -1.748 1.00 0.00 C ATOM 529 C ASN A 35 -7.153 21.893 -0.430 1.00 0.00 C ATOM 530 O ASN A 35 -6.771 22.869 0.216 1.00 0.00 O ATOM 531 CB ASN A 35 -8.868 23.255 -1.641 1.00 0.00 C ATOM 532 CG ASN A 35 -8.148 24.590 -1.627 1.00 0.00 C ATOM 533 OD1 ASN A 35 -8.105 25.274 -0.604 1.00 0.00 O ATOM 534 ND2 ASN A 35 -7.579 24.968 -2.765 1.00 0.00 N ATOM 0 H ASN A 35 -9.302 20.550 -1.405 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.175 22.276 -2.534 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.564 23.229 -2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.461 23.155 -0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.081 25.857 -2.816 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.639 24.370 -3.589 1.00 0.00 H new ATOM 541 N ILE A 36 -6.947 20.640 -0.040 1.00 0.00 N ATOM 542 CA ILE A 36 -6.243 20.332 1.199 1.00 0.00 C ATOM 543 C ILE A 36 -5.176 19.266 0.974 1.00 0.00 C ATOM 544 O ILE A 36 -5.337 18.376 0.139 1.00 0.00 O ATOM 545 CB ILE A 36 -7.213 19.849 2.293 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.454 20.744 2.336 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.519 19.831 3.646 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.577 20.264 1.444 1.00 0.00 C ATOM 0 H ILE A 36 -7.257 19.822 -0.564 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.767 21.255 1.529 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.529 18.833 2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.816 20.801 3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.173 21.755 2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.218 19.487 4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.664 19.157 3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.178 20.836 3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.423 20.946 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.233 20.234 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.885 19.265 1.753 1.00 0.00 H new ATOM 560 N THR A 37 -4.085 19.361 1.727 1.00 0.00 N ATOM 561 CA THR A 37 -2.991 18.405 1.611 1.00 0.00 C ATOM 562 C THR A 37 -2.794 17.635 2.912 1.00 0.00 C ATOM 563 O THR A 37 -2.179 18.136 3.853 1.00 0.00 O ATOM 564 CB THR A 37 -1.670 19.105 1.238 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.879 19.984 0.126 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.597 18.085 0.890 1.00 0.00 C ATOM 0 H THR A 37 -3.935 20.091 2.424 1.00 0.00 H new ATOM 0 HA THR A 37 -3.262 17.709 0.817 1.00 0.00 H new ATOM 0 HB THR A 37 -1.334 19.682 2.099 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.035 20.427 -0.104 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.326 18.603 0.630 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.420 17.436 1.748 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.927 17.484 0.042 1.00 0.00 H new ATOM 574 N GLN A 38 -3.319 16.415 2.957 1.00 0.00 N ATOM 575 CA GLN A 38 -3.200 15.576 4.143 1.00 0.00 C ATOM 576 C GLN A 38 -2.332 14.354 3.861 1.00 0.00 C ATOM 577 O GLN A 38 -1.840 14.174 2.747 1.00 0.00 O ATOM 578 CB GLN A 38 -4.584 15.133 4.622 1.00 0.00 C ATOM 579 CG GLN A 38 -5.401 16.255 5.243 1.00 0.00 C ATOM 580 CD GLN A 38 -4.589 17.108 6.198 1.00 0.00 C ATOM 581 OE1 GLN A 38 -4.338 18.285 5.937 1.00 0.00 O ATOM 582 NE2 GLN A 38 -4.174 16.518 7.312 1.00 0.00 N ATOM 0 H GLN A 38 -3.831 15.986 2.186 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.723 16.165 4.927 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.135 14.717 3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.467 14.332 5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.805 16.886 4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.251 15.829 5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.405 15.540 7.488 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.624 17.042 7.992 1.00 0.00 H new ATOM 591 N CYS A 39 -2.148 13.519 4.878 1.00 0.00 N ATOM 592 CA CYS A 39 -1.337 12.314 4.739 1.00 0.00 C ATOM 593 C CYS A 39 -2.118 11.080 5.179 1.00 0.00 C ATOM 594 O CYS A 39 -3.132 11.187 5.869 1.00 0.00 O ATOM 595 CB CYS A 39 -0.054 12.440 5.562 1.00 0.00 C ATOM 596 SG CYS A 39 -0.324 12.476 7.349 1.00 0.00 S ATOM 0 H CYS A 39 -2.549 13.654 5.806 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.076 12.201 3.687 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.603 11.604 5.321 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.467 13.350 5.266 1.00 0.00 H new ATOM 0 HG CYS A 39 0.819 12.582 7.959 1.00 0.00 H new ATOM 602 N PHE A 40 -1.641 9.908 4.773 1.00 0.00 N ATOM 603 CA PHE A 40 -2.296 8.653 5.122 1.00 0.00 C ATOM 604 C PHE A 40 -1.882 8.193 6.517 1.00 0.00 C ATOM 605 O PHE A 40 -0.852 8.618 7.042 1.00 0.00 O ATOM 606 CB PHE A 40 -1.955 7.572 4.095 1.00 0.00 C ATOM 607 CG PHE A 40 -2.527 7.838 2.732 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.837 7.496 2.437 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.754 8.430 1.746 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.365 7.740 1.183 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.277 8.677 0.490 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.585 8.332 0.209 1.00 0.00 C ATOM 0 H PHE A 40 -0.803 9.801 4.202 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.373 8.821 5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.871 7.487 4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.324 6.611 4.454 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.452 7.034 3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.731 8.702 1.961 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.387 7.468 0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.664 9.139 -0.270 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.997 8.525 -0.771 1.00 0.00 H new ATOM 622 N ASP A 41 -2.692 7.325 7.112 1.00 0.00 N ATOM 623 CA ASP A 41 -2.410 6.806 8.446 1.00 0.00 C ATOM 624 C ASP A 41 -1.296 5.766 8.401 1.00 0.00 C ATOM 625 O ASP A 41 -1.217 4.964 7.470 1.00 0.00 O ATOM 626 CB ASP A 41 -3.673 6.194 9.055 1.00 0.00 C ATOM 627 CG ASP A 41 -4.547 5.519 8.016 1.00 0.00 C ATOM 628 OD1 ASP A 41 -5.069 6.226 7.129 1.00 0.00 O ATOM 629 OD2 ASP A 41 -4.709 4.283 8.090 1.00 0.00 O ATOM 0 H ASP A 41 -3.549 6.966 6.692 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.080 7.637 9.070 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.390 5.467 9.816 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.246 6.974 9.557 1.00 0.00 H new ATOM 634 N LYS A 42 -0.434 5.785 9.412 1.00 0.00 N ATOM 635 CA LYS A 42 0.677 4.844 9.489 1.00 0.00 C ATOM 636 C LYS A 42 0.250 3.459 9.017 1.00 0.00 C ATOM 637 O LYS A 42 1.075 2.665 8.565 1.00 0.00 O ATOM 638 CB LYS A 42 1.206 4.765 10.923 1.00 0.00 C ATOM 639 CG LYS A 42 0.228 4.134 11.899 1.00 0.00 C ATOM 640 CD LYS A 42 0.921 3.695 13.178 1.00 0.00 C ATOM 641 CE LYS A 42 1.014 4.835 14.181 1.00 0.00 C ATOM 642 NZ LYS A 42 2.268 5.620 14.012 1.00 0.00 N ATOM 0 H LYS A 42 -0.484 6.443 10.190 1.00 0.00 H new ATOM 0 HA LYS A 42 1.471 5.203 8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.133 4.191 10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.452 5.770 11.266 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.560 4.848 12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.251 3.274 11.430 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.375 2.862 13.622 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.922 3.332 12.945 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.154 5.494 14.063 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.971 4.433 15.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.831 5.567 14.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.818 5.229 13.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.032 6.613 13.812 1.00 0.00 H new ATOM 656 N MET A 43 -1.044 3.174 9.123 1.00 0.00 N ATOM 657 CA MET A 43 -1.580 1.885 8.703 1.00 0.00 C ATOM 658 C MET A 43 -1.634 1.788 7.182 1.00 0.00 C ATOM 659 O MET A 43 -1.193 0.798 6.596 1.00 0.00 O ATOM 660 CB MET A 43 -2.977 1.674 9.290 1.00 0.00 C ATOM 661 CG MET A 43 -2.973 1.395 10.784 1.00 0.00 C ATOM 662 SD MET A 43 -4.635 1.252 11.468 1.00 0.00 S ATOM 663 CE MET A 43 -5.198 2.948 11.349 1.00 0.00 C ATOM 0 H MET A 43 -1.741 3.819 9.496 1.00 0.00 H new ATOM 0 HA MET A 43 -0.916 1.105 9.075 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.581 2.560 9.096 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.457 0.842 8.775 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.425 0.473 10.976 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.440 2.195 11.298 1.00 0.00 H new ATOM 0 HE1 MET A 43 -6.067 3.089 11.992 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.400 3.619 11.665 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.470 3.169 10.317 1.00 0.00 H new ATOM 673 N THR A 44 -2.179 2.821 6.546 1.00 0.00 N ATOM 674 CA THR A 44 -2.292 2.851 5.094 1.00 0.00 C ATOM 675 C THR A 44 -0.953 3.183 4.444 1.00 0.00 C ATOM 676 O THR A 44 -0.578 2.590 3.434 1.00 0.00 O ATOM 677 CB THR A 44 -3.342 3.879 4.633 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.632 3.525 5.144 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.396 3.955 3.115 1.00 0.00 C ATOM 0 H THR A 44 -2.549 3.648 7.015 1.00 0.00 H new ATOM 0 HA THR A 44 -2.607 1.855 4.782 1.00 0.00 H new ATOM 0 HB THR A 44 -3.054 4.857 5.020 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.677 3.743 6.098 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.145 4.688 2.814 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.421 4.254 2.731 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.661 2.978 2.711 1.00 0.00 H new ATOM 687 N ASN A 45 -0.236 4.135 5.032 1.00 0.00 N ATOM 688 CA ASN A 45 1.062 4.547 4.510 1.00 0.00 C ATOM 689 C ASN A 45 1.805 3.360 3.903 1.00 0.00 C ATOM 690 O ASN A 45 2.382 3.464 2.821 1.00 0.00 O ATOM 691 CB ASN A 45 1.906 5.176 5.621 1.00 0.00 C ATOM 692 CG ASN A 45 3.386 5.178 5.292 1.00 0.00 C ATOM 693 OD1 ASN A 45 4.074 4.173 5.472 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.883 6.310 4.808 1.00 0.00 N ATOM 0 H ASN A 45 -0.532 4.636 5.870 1.00 0.00 H new ATOM 0 HA ASN A 45 0.893 5.287 3.728 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.573 6.200 5.791 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.744 4.630 6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.873 6.371 4.569 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.275 7.118 4.675 1.00 0.00 H new ATOM 701 N MET A 46 1.785 2.233 4.607 1.00 0.00 N ATOM 702 CA MET A 46 2.455 1.027 4.136 1.00 0.00 C ATOM 703 C MET A 46 1.675 0.382 2.995 1.00 0.00 C ATOM 704 O MET A 46 2.254 -0.041 1.994 1.00 0.00 O ATOM 705 CB MET A 46 2.621 0.029 5.284 1.00 0.00 C ATOM 706 CG MET A 46 1.419 -0.882 5.476 1.00 0.00 C ATOM 707 SD MET A 46 1.554 -1.909 6.952 1.00 0.00 S ATOM 708 CE MET A 46 0.918 -0.793 8.200 1.00 0.00 C ATOM 0 H MET A 46 1.312 2.130 5.505 1.00 0.00 H new ATOM 0 HA MET A 46 3.440 1.310 3.765 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.504 -0.582 5.098 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.802 0.578 6.208 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.515 -0.276 5.541 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.310 -1.523 4.601 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.501 -0.899 9.115 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.990 0.234 7.841 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.125 -1.033 8.405 1.00 0.00 H new ATOM 718 N LYS A 47 0.357 0.309 3.153 1.00 0.00 N ATOM 719 CA LYS A 47 -0.503 -0.284 2.136 1.00 0.00 C ATOM 720 C LYS A 47 -0.206 0.306 0.761 1.00 0.00 C ATOM 721 O LYS A 47 -0.464 -0.325 -0.266 1.00 0.00 O ATOM 722 CB LYS A 47 -1.975 -0.061 2.491 1.00 0.00 C ATOM 723 CG LYS A 47 -2.410 -0.774 3.760 1.00 0.00 C ATOM 724 CD LYS A 47 -3.923 -0.805 3.891 1.00 0.00 C ATOM 725 CE LYS A 47 -4.352 -1.009 5.336 1.00 0.00 C ATOM 726 NZ LYS A 47 -5.832 -0.942 5.490 1.00 0.00 N ATOM 0 H LYS A 47 -0.138 0.653 3.976 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.301 -1.355 2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.154 1.008 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.596 -0.402 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.023 -1.793 3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.979 -0.272 4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.341 0.128 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.327 -1.607 3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.994 -1.976 5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.887 -0.249 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.084 -1.086 6.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.172 -0.010 5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.275 -1.684 4.911 1.00 0.00 H new ATOM 740 N LEU A 48 0.338 1.518 0.747 1.00 0.00 N ATOM 741 CA LEU A 48 0.672 2.192 -0.503 1.00 0.00 C ATOM 742 C LEU A 48 2.106 1.884 -0.921 1.00 0.00 C ATOM 743 O LEU A 48 2.354 1.441 -2.042 1.00 0.00 O ATOM 744 CB LEU A 48 0.485 3.703 -0.356 1.00 0.00 C ATOM 745 CG LEU A 48 -0.940 4.178 -0.067 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.946 5.652 0.304 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.840 3.924 -1.268 1.00 0.00 C ATOM 0 H LEU A 48 0.557 2.054 1.587 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.000 1.822 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.133 4.053 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.827 4.182 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.328 3.610 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.968 5.972 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.335 5.806 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.539 6.237 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.850 4.268 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.455 4.465 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.860 2.857 -1.488 1.00 0.00 H new ATOM 759 N GLU A 49 3.046 2.121 -0.012 1.00 0.00 N ATOM 760 CA GLU A 49 4.456 1.867 -0.287 1.00 0.00 C ATOM 761 C GLU A 49 4.669 0.429 -0.752 1.00 0.00 C ATOM 762 O GLU A 49 5.518 0.159 -1.601 1.00 0.00 O ATOM 763 CB GLU A 49 5.299 2.142 0.960 1.00 0.00 C ATOM 764 CG GLU A 49 5.363 0.969 1.923 1.00 0.00 C ATOM 765 CD GLU A 49 6.021 1.330 3.240 1.00 0.00 C ATOM 766 OE1 GLU A 49 5.451 2.159 3.981 1.00 0.00 O ATOM 767 OE2 GLU A 49 7.106 0.784 3.530 1.00 0.00 O ATOM 0 H GLU A 49 2.857 2.488 0.921 1.00 0.00 H new ATOM 0 HA GLU A 49 4.771 2.539 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.311 2.405 0.653 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.889 3.007 1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.353 0.605 2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.914 0.152 1.458 1.00 0.00 H new ATOM 774 N VAL A 50 3.893 -0.490 -0.188 1.00 0.00 N ATOM 775 CA VAL A 50 3.995 -1.900 -0.544 1.00 0.00 C ATOM 776 C VAL A 50 3.651 -2.123 -2.012 1.00 0.00 C ATOM 777 O VAL A 50 4.331 -2.872 -2.713 1.00 0.00 O ATOM 778 CB VAL A 50 3.067 -2.768 0.327 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.457 -2.661 1.794 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.615 -2.365 0.122 1.00 0.00 C ATOM 0 H VAL A 50 3.186 -0.283 0.518 1.00 0.00 H new ATOM 0 HA VAL A 50 5.029 -2.196 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 50 3.178 -3.808 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.790 -3.281 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.484 -3.002 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.376 -1.623 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.973 -2.988 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.485 -1.319 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.345 -2.499 -0.925 1.00 0.00 H new ATOM 790 N ALA A 51 2.591 -1.467 -2.472 1.00 0.00 N ATOM 791 CA ALA A 51 2.158 -1.591 -3.858 1.00 0.00 C ATOM 792 C ALA A 51 3.173 -0.965 -4.808 1.00 0.00 C ATOM 793 O ALA A 51 3.306 -1.390 -5.956 1.00 0.00 O ATOM 794 CB ALA A 51 0.791 -0.947 -4.043 1.00 0.00 C ATOM 0 H ALA A 51 2.016 -0.844 -1.905 1.00 0.00 H new ATOM 0 HA ALA A 51 2.083 -2.652 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.480 -1.047 -5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.065 -1.442 -3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.848 0.110 -3.781 1.00 0.00 H new ATOM 800 N TRP A 52 3.885 0.046 -4.324 1.00 0.00 N ATOM 801 CA TRP A 52 4.887 0.730 -5.132 1.00 0.00 C ATOM 802 C TRP A 52 6.133 -0.132 -5.300 1.00 0.00 C ATOM 803 O TRP A 52 6.760 -0.136 -6.359 1.00 0.00 O ATOM 804 CB TRP A 52 5.261 2.068 -4.492 1.00 0.00 C ATOM 805 CG TRP A 52 6.165 2.904 -5.346 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.837 4.053 -6.007 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.545 2.654 -5.634 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.930 4.532 -6.688 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.991 3.692 -6.474 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.449 1.655 -5.261 1.00 0.00 C ATOM 811 CZ2 TRP A 52 9.299 3.758 -6.948 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.746 1.721 -5.732 1.00 0.00 C ATOM 813 CH2 TRP A 52 10.162 2.766 -6.567 1.00 0.00 C ATOM 0 H TRP A 52 3.787 0.410 -3.376 1.00 0.00 H new ATOM 0 HA TRP A 52 4.459 0.913 -6.118 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.350 2.629 -4.282 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.748 1.881 -3.535 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.862 4.517 -5.996 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.949 5.376 -7.260 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.139 0.846 -4.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.621 4.563 -7.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.452 0.953 -5.451 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.183 2.790 -6.917 1.00 0.00 H new ATOM 824 N LYS A 53 6.487 -0.863 -4.248 1.00 0.00 N ATOM 825 CA LYS A 53 7.658 -1.732 -4.279 1.00 0.00 C ATOM 826 C LYS A 53 7.320 -3.077 -4.914 1.00 0.00 C ATOM 827 O LYS A 53 8.187 -3.742 -5.481 1.00 0.00 O ATOM 828 CB LYS A 53 8.197 -1.946 -2.863 1.00 0.00 C ATOM 829 CG LYS A 53 8.569 -0.657 -2.152 1.00 0.00 C ATOM 830 CD LYS A 53 9.934 -0.153 -2.590 1.00 0.00 C ATOM 831 CE LYS A 53 11.037 -1.128 -2.208 1.00 0.00 C ATOM 832 NZ LYS A 53 12.387 -0.507 -2.314 1.00 0.00 N ATOM 0 H LYS A 53 5.980 -0.871 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 53 8.424 -1.247 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.446 -2.473 -2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.075 -2.591 -2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.816 0.104 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.569 -0.822 -1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.938 -0.002 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.129 0.817 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.877 -1.476 -1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.988 -2.004 -2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.111 -1.203 -2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.551 -0.197 -3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.443 0.314 -1.677 1.00 0.00 H new ATOM 846 N ALA A 54 6.055 -3.472 -4.816 1.00 0.00 N ATOM 847 CA ALA A 54 5.603 -4.736 -5.385 1.00 0.00 C ATOM 848 C ALA A 54 5.320 -4.597 -6.877 1.00 0.00 C ATOM 849 O ALA A 54 4.641 -5.434 -7.472 1.00 0.00 O ATOM 850 CB ALA A 54 4.363 -5.229 -4.654 1.00 0.00 C ATOM 0 H ALA A 54 5.325 -2.935 -4.348 1.00 0.00 H new ATOM 0 HA ALA A 54 6.401 -5.468 -5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.036 -6.174 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.597 -5.376 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.567 -4.491 -4.749 1.00 0.00 H new ATOM 856 N LYS A 55 5.845 -3.534 -7.477 1.00 0.00 N ATOM 857 CA LYS A 55 5.650 -3.284 -8.900 1.00 0.00 C ATOM 858 C LYS A 55 4.177 -3.409 -9.278 1.00 0.00 C ATOM 859 O LYS A 55 3.840 -3.925 -10.344 1.00 0.00 O ATOM 860 CB LYS A 55 6.485 -4.263 -9.730 1.00 0.00 C ATOM 861 CG LYS A 55 7.964 -3.923 -9.763 1.00 0.00 C ATOM 862 CD LYS A 55 8.656 -4.562 -10.955 1.00 0.00 C ATOM 863 CE LYS A 55 8.825 -6.062 -10.764 1.00 0.00 C ATOM 864 NZ LYS A 55 9.714 -6.657 -11.800 1.00 0.00 N ATOM 0 H LYS A 55 6.409 -2.831 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 55 5.976 -2.266 -9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.360 -5.268 -9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.102 -4.280 -10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.089 -2.841 -9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.437 -4.262 -8.841 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.076 -4.372 -11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.633 -4.100 -11.100 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.239 -6.258 -9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.849 -6.545 -10.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.803 -7.680 -11.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.307 -6.493 -12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.654 -6.214 -11.747 1.00 0.00 H new ATOM 878 N LYS A 56 3.303 -2.933 -8.398 1.00 0.00 N ATOM 879 CA LYS A 56 1.866 -2.988 -8.640 1.00 0.00 C ATOM 880 C LYS A 56 1.411 -1.803 -9.486 1.00 0.00 C ATOM 881 O LYS A 56 2.094 -0.782 -9.561 1.00 0.00 O ATOM 882 CB LYS A 56 1.105 -3.003 -7.312 1.00 0.00 C ATOM 883 CG LYS A 56 1.387 -4.230 -6.462 1.00 0.00 C ATOM 884 CD LYS A 56 0.423 -5.360 -6.778 1.00 0.00 C ATOM 885 CE LYS A 56 0.299 -6.329 -5.612 1.00 0.00 C ATOM 886 NZ LYS A 56 -0.696 -5.863 -4.607 1.00 0.00 N ATOM 0 H LYS A 56 3.565 -2.504 -7.510 1.00 0.00 H new ATOM 0 HA LYS A 56 1.649 -3.906 -9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.366 -2.110 -6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.035 -2.950 -7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.410 -4.565 -6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.309 -3.968 -5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.558 -4.947 -7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.766 -5.896 -7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.006 -7.310 -5.985 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.271 -6.447 -5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.751 -6.550 -3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.404 -4.938 -4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.629 -5.775 -5.058 1.00 0.00 H new ATOM 900 N LYS A 57 0.252 -1.946 -10.120 1.00 0.00 N ATOM 901 CA LYS A 57 -0.298 -0.887 -10.958 1.00 0.00 C ATOM 902 C LYS A 57 -1.119 0.094 -10.128 1.00 0.00 C ATOM 903 O LYS A 57 -1.135 1.294 -10.404 1.00 0.00 O ATOM 904 CB LYS A 57 -1.166 -1.486 -12.067 1.00 0.00 C ATOM 905 CG LYS A 57 -1.192 -0.652 -13.336 1.00 0.00 C ATOM 906 CD LYS A 57 -2.241 0.445 -13.262 1.00 0.00 C ATOM 907 CE LYS A 57 -2.599 0.969 -14.644 1.00 0.00 C ATOM 908 NZ LYS A 57 -1.430 1.593 -15.321 1.00 0.00 N ATOM 0 H LYS A 57 -0.325 -2.786 -10.069 1.00 0.00 H new ATOM 0 HA LYS A 57 0.534 -0.345 -11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.798 -2.484 -12.306 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.185 -1.602 -11.697 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.210 -0.207 -13.500 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.397 -1.296 -14.191 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.137 0.061 -12.774 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.869 1.264 -12.646 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.978 0.150 -15.256 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.402 1.701 -14.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.724 1.968 -16.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.062 2.369 -14.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.686 0.879 -15.457 1.00 0.00 H new ATOM 922 N ASP A 58 -1.798 -0.423 -9.110 1.00 0.00 N ATOM 923 CA ASP A 58 -2.619 0.408 -8.238 1.00 0.00 C ATOM 924 C ASP A 58 -3.024 -0.357 -6.982 1.00 0.00 C ATOM 925 O ASP A 58 -3.121 -1.585 -6.993 1.00 0.00 O ATOM 926 CB ASP A 58 -3.866 0.888 -8.981 1.00 0.00 C ATOM 927 CG ASP A 58 -4.655 -0.255 -9.587 1.00 0.00 C ATOM 928 OD1 ASP A 58 -4.985 -1.206 -8.848 1.00 0.00 O ATOM 929 OD2 ASP A 58 -4.943 -0.201 -10.802 1.00 0.00 O ATOM 0 H ASP A 58 -1.796 -1.414 -8.868 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.027 1.274 -7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.505 1.442 -8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.571 1.580 -9.770 1.00 0.00 H new ATOM 934 N THR A 59 -3.259 0.376 -5.898 1.00 0.00 N ATOM 935 CA THR A 59 -3.651 -0.233 -4.633 1.00 0.00 C ATOM 936 C THR A 59 -4.876 0.459 -4.046 1.00 0.00 C ATOM 937 O THR A 59 -4.948 1.687 -4.005 1.00 0.00 O ATOM 938 CB THR A 59 -2.505 -0.180 -3.605 1.00 0.00 C ATOM 939 OG1 THR A 59 -2.956 -0.682 -2.342 1.00 0.00 O ATOM 940 CG2 THR A 59 -1.992 1.242 -3.438 1.00 0.00 C ATOM 0 H THR A 59 -3.185 1.393 -5.871 1.00 0.00 H new ATOM 0 HA THR A 59 -3.892 -1.275 -4.845 1.00 0.00 H new ATOM 0 HB THR A 59 -1.689 -0.802 -3.972 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.369 -0.351 -1.630 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.183 1.254 -2.707 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.622 1.610 -4.395 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.803 1.883 -3.092 1.00 0.00 H new ATOM 948 N VAL A 60 -5.839 -0.338 -3.593 1.00 0.00 N ATOM 949 CA VAL A 60 -7.062 0.198 -3.007 1.00 0.00 C ATOM 950 C VAL A 60 -6.884 0.467 -1.516 1.00 0.00 C ATOM 951 O VAL A 60 -6.325 -0.353 -0.789 1.00 0.00 O ATOM 952 CB VAL A 60 -8.248 -0.764 -3.206 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.393 -0.400 -2.272 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.707 -0.750 -4.656 1.00 0.00 C ATOM 0 H VAL A 60 -5.796 -1.357 -3.621 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.275 1.136 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.919 -1.774 -2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.222 -1.090 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.054 -0.466 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.724 0.617 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.546 -1.435 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.019 0.258 -4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.886 -1.063 -5.301 1.00 0.00 H new ATOM 964 N VAL A 61 -7.365 1.623 -1.068 1.00 0.00 N ATOM 965 CA VAL A 61 -7.261 2.000 0.337 1.00 0.00 C ATOM 966 C VAL A 61 -8.520 2.720 0.806 1.00 0.00 C ATOM 967 O VAL A 61 -9.201 3.376 0.019 1.00 0.00 O ATOM 968 CB VAL A 61 -6.041 2.906 0.586 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.757 2.193 0.192 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.187 4.216 -0.173 1.00 0.00 C ATOM 0 H VAL A 61 -7.830 2.314 -1.657 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.140 1.078 0.905 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.990 3.133 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.906 2.849 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.649 1.284 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.795 1.934 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.316 4.844 0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.264 4.011 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.086 4.733 0.163 1.00 0.00 H new ATOM 980 N GLN A 62 -8.822 2.594 2.095 1.00 0.00 N ATOM 981 CA GLN A 62 -9.999 3.233 2.669 1.00 0.00 C ATOM 982 C GLN A 62 -9.737 4.710 2.944 1.00 0.00 C ATOM 983 O GLN A 62 -8.974 5.058 3.846 1.00 0.00 O ATOM 984 CB GLN A 62 -10.410 2.527 3.962 1.00 0.00 C ATOM 985 CG GLN A 62 -10.977 1.134 3.741 1.00 0.00 C ATOM 986 CD GLN A 62 -9.898 0.076 3.621 1.00 0.00 C ATOM 987 OE1 GLN A 62 -8.944 0.055 4.399 1.00 0.00 O ATOM 988 NE2 GLN A 62 -10.044 -0.810 2.643 1.00 0.00 N ATOM 0 H GLN A 62 -8.268 2.055 2.760 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.812 3.155 1.947 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.543 2.457 4.619 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.153 3.135 4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.639 0.880 4.569 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.584 1.133 2.836 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.851 -0.755 2.021 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.350 -1.546 2.513 1.00 0.00 H new ATOM 997 N ILE A 63 -10.374 5.575 2.161 1.00 0.00 N ATOM 998 CA ILE A 63 -10.210 7.014 2.321 1.00 0.00 C ATOM 999 C ILE A 63 -11.551 7.696 2.573 1.00 0.00 C ATOM 1000 O ILE A 63 -12.460 7.625 1.746 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.551 7.647 1.081 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.117 7.135 0.922 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.568 9.164 1.188 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.409 7.689 -0.294 1.00 0.00 C ATOM 0 H ILE A 63 -11.008 5.304 1.410 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.561 7.163 3.184 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.121 7.358 0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.546 7.394 1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.133 6.047 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.099 9.596 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.598 9.512 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.019 9.472 2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.398 7.283 -0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.957 7.408 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.361 8.776 -0.223 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.665 8.357 3.720 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.894 9.055 4.081 1.00 0.00 C ATOM 1018 C HIS A 64 -14.037 8.066 4.296 1.00 0.00 C ATOM 1019 O HIS A 64 -15.189 8.355 3.976 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.273 10.060 2.994 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.211 11.082 2.727 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -10.885 11.072 2.997 1.00 0.00 N flip ATOM 1023 CD2 HIS A 64 -12.466 12.290 2.112 1.00 0.00 C flip ATOM 1024 CE1 HIS A 64 -10.368 12.261 2.544 1.00 0.00 C flip ATOM 1025 NE2 HIS A 64 -11.342 12.977 2.014 1.00 0.00 N flip ATOM 0 H HIS A 64 -10.922 8.424 4.415 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.718 9.590 5.014 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.487 9.521 2.071 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.191 10.570 3.286 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -13.433 12.622 1.765 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -9.333 12.561 2.611 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.243 13.904 1.599 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.708 6.899 4.840 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.707 5.867 5.097 1.00 0.00 C ATOM 1036 C ASN A 65 -15.272 5.320 3.789 1.00 0.00 C ATOM 1037 O ASN A 65 -16.413 4.861 3.740 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.839 6.427 5.960 1.00 0.00 C ATOM 1039 CG ASN A 65 -16.772 5.343 6.464 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -16.382 4.498 7.269 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -18.012 5.363 5.989 1.00 0.00 N ATOM 0 H ASN A 65 -12.758 6.644 5.111 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.221 5.051 5.632 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.414 6.961 6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.409 7.153 5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.685 4.658 6.290 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.291 6.083 5.323 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.465 5.372 2.735 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.885 4.882 1.427 1.00 0.00 C ATOM 1050 C GLN A 66 -13.703 4.300 0.658 1.00 0.00 C ATOM 1051 O GLN A 66 -12.636 4.910 0.587 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.529 6.009 0.619 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.931 7.378 0.901 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.901 8.508 0.619 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -17.080 8.430 0.966 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.409 9.568 -0.012 1.00 0.00 N ATOM 0 H GLN A 66 -13.517 5.748 2.761 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.619 4.091 1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.425 5.788 -0.443 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.597 6.036 0.836 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.617 7.425 1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.037 7.512 0.293 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.425 9.590 -0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.015 10.360 -0.227 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.901 3.118 0.086 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.851 2.454 -0.679 1.00 0.00 C ATOM 1067 C ASP A 67 -12.446 3.292 -1.887 1.00 0.00 C ATOM 1068 O ASP A 67 -13.296 3.754 -2.649 1.00 0.00 O ATOM 1069 CB ASP A 67 -13.320 1.072 -1.136 1.00 0.00 C ATOM 1070 CG ASP A 67 -14.769 1.070 -1.582 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -15.213 2.085 -2.160 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -15.459 0.055 -1.354 1.00 0.00 O ATOM 0 H ASP A 67 -14.778 2.600 0.137 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.982 2.339 -0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.690 0.731 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.193 0.360 -0.320 1.00 0.00 H new ATOM 1077 N PHE A 68 -11.142 3.486 -2.056 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.624 4.270 -3.171 1.00 0.00 C ATOM 1079 C PHE A 68 -9.529 3.507 -3.911 1.00 0.00 C ATOM 1080 O PHE A 68 -8.881 2.624 -3.347 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.078 5.609 -2.670 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.088 6.720 -2.709 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.333 6.564 -2.121 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.792 7.921 -3.333 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.264 7.584 -2.156 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.719 8.946 -3.371 1.00 0.00 C ATOM 1087 CZ PHE A 68 -12.957 8.777 -2.781 1.00 0.00 C ATOM 0 H PHE A 68 -10.425 3.111 -1.435 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.445 4.456 -3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.723 5.487 -1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.216 5.890 -3.275 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.578 5.634 -1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.826 8.058 -3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.231 7.449 -1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.476 9.877 -3.861 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.683 9.576 -2.808 1.00 0.00 H new ATOM 1097 N THR A 69 -9.327 3.854 -5.178 1.00 0.00 N ATOM 1098 CA THR A 69 -8.313 3.201 -5.997 1.00 0.00 C ATOM 1099 C THR A 69 -7.131 4.130 -6.251 1.00 0.00 C ATOM 1100 O THR A 69 -7.247 5.114 -6.982 1.00 0.00 O ATOM 1101 CB THR A 69 -8.891 2.744 -7.349 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.025 1.895 -7.135 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.842 2.001 -8.163 1.00 0.00 C ATOM 0 H THR A 69 -9.852 4.584 -5.660 1.00 0.00 H new ATOM 0 HA THR A 69 -7.973 2.327 -5.442 1.00 0.00 H new ATOM 0 HB THR A 69 -9.200 3.629 -7.905 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.388 1.610 -8.000 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.274 1.688 -9.114 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.993 2.659 -8.349 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.507 1.123 -7.610 1.00 0.00 H new ATOM 1111 N VAL A 70 -5.992 3.811 -5.643 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.788 4.616 -5.806 1.00 0.00 C ATOM 1113 C VAL A 70 -3.889 4.046 -6.898 1.00 0.00 C ATOM 1114 O VAL A 70 -3.368 2.938 -6.772 1.00 0.00 O ATOM 1115 CB VAL A 70 -3.989 4.701 -4.492 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.681 5.447 -4.709 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.819 5.370 -3.407 1.00 0.00 C ATOM 0 H VAL A 70 -5.879 3.001 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.112 5.617 -6.092 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.752 3.688 -4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.130 5.497 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.082 4.922 -5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.892 6.457 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.239 5.422 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.088 6.378 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.726 4.790 -3.233 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.712 4.812 -7.969 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.874 4.385 -9.084 1.00 0.00 C ATOM 1129 C ASP A 71 -1.443 4.885 -8.912 1.00 0.00 C ATOM 1130 O ASP A 71 -1.196 6.091 -8.877 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.450 4.893 -10.406 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.097 3.995 -11.575 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -1.899 3.688 -11.747 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -4.020 3.599 -12.319 1.00 0.00 O ATOM 0 H ASP A 71 -4.137 5.731 -8.089 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.859 3.295 -9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.534 4.966 -10.322 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.077 5.899 -10.599 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.505 3.951 -8.804 1.00 0.00 N ATOM 1140 CA LEU A 72 0.902 4.297 -8.634 1.00 0.00 C ATOM 1141 C LEU A 72 1.481 4.874 -9.922 1.00 0.00 C ATOM 1142 O LEU A 72 2.209 5.866 -9.897 1.00 0.00 O ATOM 1143 CB LEU A 72 1.703 3.065 -8.209 1.00 0.00 C ATOM 1144 CG LEU A 72 1.220 2.354 -6.945 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.620 0.887 -6.971 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.775 3.037 -5.703 1.00 0.00 C ATOM 0 H LEU A 72 -0.693 2.949 -8.831 1.00 0.00 H new ATOM 0 HA LEU A 72 0.972 5.055 -7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.693 2.349 -9.031 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.740 3.365 -8.059 1.00 0.00 H new ATOM 0 HG LEU A 72 0.132 2.413 -6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.267 0.398 -6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.174 0.404 -7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.706 0.807 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.421 2.517 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.864 3.010 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.438 4.073 -5.676 1.00 0.00 H new ATOM 1158 N SER A 73 1.149 4.248 -11.046 1.00 0.00 N ATOM 1159 CA SER A 73 1.636 4.698 -12.345 1.00 0.00 C ATOM 1160 C SER A 73 1.539 6.216 -12.465 1.00 0.00 C ATOM 1161 O SER A 73 2.521 6.890 -12.778 1.00 0.00 O ATOM 1162 CB SER A 73 0.841 4.033 -13.470 1.00 0.00 C ATOM 1163 OG SER A 73 1.443 2.814 -13.869 1.00 0.00 O ATOM 0 H SER A 73 0.544 3.427 -11.084 1.00 0.00 H new ATOM 0 HA SER A 73 2.684 4.411 -12.432 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.180 3.846 -13.137 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.779 4.708 -14.324 1.00 0.00 H new ATOM 0 HG SER A 73 0.933 2.424 -14.609 1.00 0.00 H new ATOM 1169 N THR A 74 0.346 6.747 -12.215 1.00 0.00 N ATOM 1170 CA THR A 74 0.118 8.185 -12.296 1.00 0.00 C ATOM 1171 C THR A 74 0.170 8.828 -10.915 1.00 0.00 C ATOM 1172 O THR A 74 0.402 10.030 -10.788 1.00 0.00 O ATOM 1173 CB THR A 74 -1.241 8.502 -12.947 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.385 9.916 -13.118 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.385 7.970 -12.098 1.00 0.00 C ATOM 0 H THR A 74 -0.477 6.203 -11.955 1.00 0.00 H new ATOM 0 HA THR A 74 0.914 8.597 -12.916 1.00 0.00 H new ATOM 0 HB THR A 74 -1.275 8.014 -13.921 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.251 10.109 -13.534 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.335 8.206 -12.578 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.289 6.889 -11.995 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.352 8.433 -11.112 1.00 0.00 H new ATOM 1183 N ASN A 75 -0.048 8.020 -9.882 1.00 0.00 N ATOM 1184 CA ASN A 75 -0.026 8.512 -8.510 1.00 0.00 C ATOM 1185 C ASN A 75 -1.246 9.383 -8.224 1.00 0.00 C ATOM 1186 O ASN A 75 -1.118 10.521 -7.772 1.00 0.00 O ATOM 1187 CB ASN A 75 1.255 9.309 -8.251 1.00 0.00 C ATOM 1188 CG ASN A 75 2.450 8.735 -8.988 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.625 8.966 -10.185 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.281 7.984 -8.274 1.00 0.00 N ATOM 0 H ASN A 75 -0.242 7.022 -9.970 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.051 7.651 -7.842 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.105 10.344 -8.558 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.463 9.321 -7.181 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.103 7.572 -8.715 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.097 7.819 -7.284 1.00 0.00 H new ATOM 1197 N THR A 76 -2.429 8.840 -8.491 1.00 0.00 N ATOM 1198 CA THR A 76 -3.672 9.566 -8.263 1.00 0.00 C ATOM 1199 C THR A 76 -4.770 8.634 -7.764 1.00 0.00 C ATOM 1200 O THR A 76 -4.963 7.543 -8.300 1.00 0.00 O ATOM 1201 CB THR A 76 -4.155 10.268 -9.546 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.172 11.210 -9.989 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.477 10.982 -9.307 1.00 0.00 C ATOM 0 H THR A 76 -2.553 7.899 -8.866 1.00 0.00 H new ATOM 0 HA THR A 76 -3.464 10.318 -7.502 1.00 0.00 H new ATOM 0 HB THR A 76 -4.303 9.510 -10.315 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.486 11.651 -10.806 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.798 11.470 -10.227 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.231 10.258 -8.998 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.350 11.730 -8.524 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.488 9.071 -6.734 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.569 8.276 -6.164 1.00 0.00 C ATOM 1213 C ALA A 77 -7.908 8.635 -6.800 1.00 0.00 C ATOM 1214 O ALA A 77 -8.161 9.794 -7.127 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.629 8.472 -4.656 1.00 0.00 C ATOM 0 H ALA A 77 -5.340 9.971 -6.277 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.366 7.226 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.441 7.873 -4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.684 8.160 -4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.805 9.524 -4.433 1.00 0.00 H new ATOM 1221 N THR A 78 -8.763 7.631 -6.973 1.00 0.00 N ATOM 1222 CA THR A 78 -10.075 7.840 -7.572 1.00 0.00 C ATOM 1223 C THR A 78 -11.112 6.902 -6.965 1.00 0.00 C ATOM 1224 O THR A 78 -10.792 5.782 -6.568 1.00 0.00 O ATOM 1225 CB THR A 78 -10.037 7.628 -9.097 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.916 8.318 -9.660 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.321 8.124 -9.744 1.00 0.00 C ATOM 0 H THR A 78 -8.570 6.666 -6.707 1.00 0.00 H new ATOM 0 HA THR A 78 -10.357 8.872 -7.364 1.00 0.00 H new ATOM 0 HB THR A 78 -9.940 6.560 -9.291 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.898 8.177 -10.630 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.271 7.964 -10.821 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.170 7.576 -9.335 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.444 9.188 -9.541 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.355 7.366 -6.897 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.440 6.566 -6.341 1.00 0.00 C ATOM 1237 C ALA A 79 -14.719 6.735 -7.153 1.00 0.00 C ATOM 1238 O ALA A 79 -14.942 7.759 -7.800 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.682 6.944 -4.887 1.00 0.00 C ATOM 0 H ALA A 79 -12.636 8.292 -7.220 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.147 5.517 -6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.495 6.339 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.775 6.765 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.950 7.999 -4.825 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.581 5.708 -7.122 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.853 5.720 -7.851 1.00 0.00 C ATOM 1247 C PRO A 80 -17.853 6.704 -7.256 1.00 0.00 C ATOM 1248 O PRO A 80 -18.992 6.798 -7.713 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.361 4.284 -7.700 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.724 3.786 -6.448 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.380 4.457 -6.373 1.00 0.00 C ATOM 0 HA PRO A 80 -16.726 6.036 -8.887 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.448 4.254 -7.630 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.080 3.672 -8.557 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.332 4.031 -5.577 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.618 2.701 -6.468 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.084 4.649 -5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.599 3.842 -6.820 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.420 7.436 -6.234 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.279 8.413 -5.577 1.00 0.00 C ATOM 1261 C GLN A 81 -18.196 9.767 -6.274 1.00 0.00 C ATOM 1262 O GLN A 81 -19.191 10.482 -6.385 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.889 8.559 -4.105 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.874 7.242 -3.346 1.00 0.00 C ATOM 1265 CD GLN A 81 -19.237 6.581 -3.299 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -20.261 7.226 -3.523 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -19.257 5.286 -3.005 1.00 0.00 N ATOM 0 H GLN A 81 -16.480 7.371 -5.844 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.307 8.055 -5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.901 9.016 -4.043 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.587 9.241 -3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -17.162 6.564 -3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.524 7.417 -2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -18.384 4.790 -2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.146 4.787 -2.958 1.00 0.00 H new ATOM 1276 N GLY A 82 -17.001 10.114 -6.742 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.809 11.382 -7.422 1.00 0.00 C ATOM 1278 C GLY A 82 -15.713 12.218 -6.792 1.00 0.00 C ATOM 1279 O GLY A 82 -15.784 13.446 -6.790 1.00 0.00 O ATOM 0 H GLY A 82 -16.162 9.539 -6.662 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.564 11.196 -8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.743 11.943 -7.408 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.696 11.550 -6.255 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.582 12.241 -5.618 1.00 0.00 C ATOM 1285 C GLN A 83 -12.248 11.665 -6.082 1.00 0.00 C ATOM 1286 O GLN A 83 -12.100 10.451 -6.228 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.693 12.137 -4.096 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.474 13.279 -3.464 1.00 0.00 C ATOM 1289 CD GLN A 83 -15.194 12.862 -2.196 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -14.661 12.995 -1.094 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.412 12.356 -2.346 1.00 0.00 N ATOM 0 H GLN A 83 -14.621 10.533 -6.249 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.625 13.291 -5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -14.173 11.193 -3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.691 12.112 -3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -13.792 14.099 -3.237 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.201 13.658 -4.182 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.815 12.264 -3.279 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -16.945 12.059 -1.529 1.00 0.00 H new ATOM 1300 N THR A 84 -11.277 12.544 -6.312 1.00 0.00 N ATOM 1301 CA THR A 84 -9.956 12.123 -6.760 1.00 0.00 C ATOM 1302 C THR A 84 -8.860 12.948 -6.095 1.00 0.00 C ATOM 1303 O THR A 84 -9.007 14.156 -5.906 1.00 0.00 O ATOM 1304 CB THR A 84 -9.817 12.245 -8.290 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.823 13.624 -8.674 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.947 11.511 -8.996 1.00 0.00 C ATOM 0 H THR A 84 -11.381 13.552 -6.195 1.00 0.00 H new ATOM 0 HA THR A 84 -9.844 11.077 -6.474 1.00 0.00 H new ATOM 0 HB THR A 84 -8.871 11.791 -8.584 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.733 13.693 -9.647 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.828 11.611 -10.075 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.921 10.456 -8.724 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.903 11.940 -8.695 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.762 12.289 -5.740 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.641 12.962 -5.095 1.00 0.00 C ATOM 1316 C PHE A 85 -5.321 12.571 -5.752 1.00 0.00 C ATOM 1317 O PHE A 85 -5.283 11.718 -6.638 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.603 12.620 -3.604 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.953 12.296 -3.029 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.850 13.306 -2.720 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.324 10.981 -2.797 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.092 13.011 -2.191 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.565 10.680 -2.268 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.450 11.696 -1.964 1.00 0.00 C ATOM 0 H PHE A 85 -7.625 11.289 -5.888 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.779 14.037 -5.211 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.938 11.770 -3.451 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.176 13.461 -3.057 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.575 14.336 -2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.636 10.183 -3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.782 13.808 -1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.842 9.651 -2.092 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.420 11.463 -1.550 1.00 0.00 H new ATOM 1334 N THR A 86 -4.237 13.203 -5.310 1.00 0.00 N ATOM 1335 CA THR A 86 -2.915 12.924 -5.855 1.00 0.00 C ATOM 1336 C THR A 86 -1.976 12.395 -4.776 1.00 0.00 C ATOM 1337 O THR A 86 -1.779 13.034 -3.743 1.00 0.00 O ATOM 1338 CB THR A 86 -2.292 14.181 -6.490 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.185 14.732 -7.464 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.959 13.853 -7.145 1.00 0.00 C ATOM 0 H THR A 86 -4.250 13.911 -4.576 1.00 0.00 H new ATOM 0 HA THR A 86 -3.045 12.164 -6.625 1.00 0.00 H new ATOM 0 HB THR A 86 -2.120 14.912 -5.700 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.782 15.532 -7.862 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.538 14.757 -7.586 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.272 13.462 -6.395 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.110 13.105 -7.924 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.398 11.223 -5.023 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.478 10.609 -4.074 1.00 0.00 C ATOM 1350 C VAL A 87 0.971 10.902 -4.444 1.00 0.00 C ATOM 1351 O VAL A 87 1.350 10.829 -5.613 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.680 9.084 -4.003 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.899 8.744 -3.159 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.811 8.499 -5.401 1.00 0.00 C ATOM 0 H VAL A 87 -1.551 10.680 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.695 11.043 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 87 0.196 8.642 -3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.025 7.662 -3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.761 9.129 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.786 9.197 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.953 7.420 -5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.668 8.947 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.094 8.710 -5.970 1.00 0.00 H new ATOM 1364 N GLN A 88 1.777 11.235 -3.441 1.00 0.00 N ATOM 1365 CA GLN A 88 3.186 11.539 -3.662 1.00 0.00 C ATOM 1366 C GLN A 88 4.073 10.710 -2.740 1.00 0.00 C ATOM 1367 O GLN A 88 3.779 10.553 -1.555 1.00 0.00 O ATOM 1368 CB GLN A 88 3.448 13.029 -3.437 1.00 0.00 C ATOM 1369 CG GLN A 88 3.055 13.514 -2.051 1.00 0.00 C ATOM 1370 CD GLN A 88 2.772 15.003 -2.012 1.00 0.00 C ATOM 1371 OE1 GLN A 88 3.064 15.727 -2.964 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.199 15.468 -0.908 1.00 0.00 N ATOM 0 H GLN A 88 1.479 11.301 -2.468 1.00 0.00 H new ATOM 0 HA GLN A 88 3.429 11.286 -4.694 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.507 13.231 -3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.898 13.603 -4.183 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.171 12.971 -1.718 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.855 13.282 -1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.974 14.832 -0.143 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.984 16.462 -0.825 1.00 0.00 H new ATOM 1381 N ARG A 89 5.160 10.180 -3.292 1.00 0.00 N ATOM 1382 CA ARG A 89 6.090 9.365 -2.520 1.00 0.00 C ATOM 1383 C ARG A 89 7.284 10.194 -2.057 1.00 0.00 C ATOM 1384 O ARG A 89 7.900 10.911 -2.848 1.00 0.00 O ATOM 1385 CB ARG A 89 6.572 8.176 -3.352 1.00 0.00 C ATOM 1386 CG ARG A 89 7.157 7.047 -2.520 1.00 0.00 C ATOM 1387 CD ARG A 89 7.240 5.753 -3.315 1.00 0.00 C ATOM 1388 NE ARG A 89 7.748 4.647 -2.509 1.00 0.00 N ATOM 1389 CZ ARG A 89 9.042 4.403 -2.328 1.00 0.00 C ATOM 1390 NH1 ARG A 89 9.952 5.184 -2.893 1.00 0.00 N ATOM 1391 NH2 ARG A 89 9.426 3.376 -1.580 1.00 0.00 N ATOM 0 H ARG A 89 5.418 10.301 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 89 5.565 8.994 -1.640 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.737 7.790 -3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.325 8.521 -4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.152 7.327 -2.174 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.543 6.891 -1.633 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.252 5.499 -3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.888 5.899 -4.179 1.00 0.00 H new ATOM 0 HE ARG A 89 7.073 4.028 -2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.660 5.974 -3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.944 4.995 -2.753 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.728 2.774 -1.144 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.419 3.189 -1.441 1.00 0.00 H new ATOM 1405 N LEU A 90 7.607 10.091 -0.773 1.00 0.00 N ATOM 1406 CA LEU A 90 8.728 10.831 -0.204 1.00 0.00 C ATOM 1407 C LEU A 90 9.611 9.918 0.640 1.00 0.00 C ATOM 1408 O LEU A 90 9.116 9.067 1.379 1.00 0.00 O ATOM 1409 CB LEU A 90 8.217 11.995 0.647 1.00 0.00 C ATOM 1410 CG LEU A 90 6.969 12.709 0.128 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.712 12.059 0.685 1.00 0.00 C ATOM 1412 CD2 LEU A 90 7.011 14.187 0.487 1.00 0.00 C ATOM 0 H LEU A 90 7.109 9.502 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 90 9.326 11.225 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.007 11.621 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.018 12.728 0.742 1.00 0.00 H new ATOM 0 HG LEU A 90 6.949 12.620 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.834 12.581 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.675 11.014 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.725 12.116 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.115 14.679 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.056 14.297 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.892 14.645 0.039 1.00 0.00 H new