USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=13 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 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.6!) 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= -0.669 X(o=-0.67,f=-0.68) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0446 X(o=-0.045,f=-0.077) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.29! C(o=-1.3!,f=-7.9!) USER MOD Single : A 46 MET CE :methyl -140:sc= -2.36! (180deg=-3.04!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 64 HIS : no HD1:sc= -8.73! C(o=-8.7!,f=-5.2!) USER MOD Single : A 65 ASN : amide:sc= -0.022 X(o=-0.022,f=-0.35) USER MOD Single : A 66 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -3.13! C(o=-3.1!,f=-5.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0464 USER MOD Single : A 81 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.3) USER MOD Single : A 83 GLN : amide:sc= -1.06 K(o=-1.1,f=-6.4!) 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= -1.26 K(o=-1.3,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 397 N GLU A 28 7.191 7.753 3.374 1.00 0.00 N ATOM 398 CA GLU A 28 6.012 8.553 3.685 1.00 0.00 C ATOM 399 C GLU A 28 5.084 8.647 2.478 1.00 0.00 C ATOM 400 O GLU A 28 5.535 8.843 1.349 1.00 0.00 O ATOM 401 CB GLU A 28 6.426 9.956 4.135 1.00 0.00 C ATOM 402 CG GLU A 28 5.252 10.850 4.496 1.00 0.00 C ATOM 403 CD GLU A 28 4.599 10.455 5.807 1.00 0.00 C ATOM 404 OE1 GLU A 28 4.539 9.242 6.098 1.00 0.00 O ATOM 405 OE2 GLU A 28 4.148 11.359 6.541 1.00 0.00 O ATOM 0 HA GLU A 28 5.475 8.062 4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.086 9.872 4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.001 10.429 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.593 11.883 4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.510 10.809 3.698 1.00 0.00 H new ATOM 412 N TRP A 29 3.787 8.506 2.725 1.00 0.00 N ATOM 413 CA TRP A 29 2.794 8.574 1.658 1.00 0.00 C ATOM 414 C TRP A 29 1.673 9.543 2.018 1.00 0.00 C ATOM 415 O TRP A 29 0.895 9.290 2.937 1.00 0.00 O ATOM 416 CB TRP A 29 2.216 7.186 1.382 1.00 0.00 C ATOM 417 CG TRP A 29 3.136 6.305 0.591 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.220 5.621 1.061 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.053 6.017 -0.809 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.816 4.924 0.038 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.119 5.150 -1.120 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.182 6.405 -1.830 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.335 4.668 -2.408 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.397 5.926 -3.108 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.466 5.064 -3.388 1.00 0.00 C ATOM 0 H TRP A 29 3.398 8.344 3.654 1.00 0.00 H new ATOM 0 HA TRP A 29 3.289 8.939 0.758 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.987 6.701 2.331 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.275 7.293 0.843 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.559 5.627 2.086 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.643 4.334 0.126 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.355 7.068 -1.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.159 4.005 -2.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.730 6.221 -3.905 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.607 4.705 -4.397 1.00 0.00 H new ATOM 436 N GLN A 30 1.598 10.652 1.289 1.00 0.00 N ATOM 437 CA GLN A 30 0.571 11.658 1.534 1.00 0.00 C ATOM 438 C GLN A 30 -0.289 11.871 0.293 1.00 0.00 C ATOM 439 O GLN A 30 0.169 11.675 -0.833 1.00 0.00 O ATOM 440 CB GLN A 30 1.213 12.980 1.957 1.00 0.00 C ATOM 441 CG GLN A 30 2.159 12.846 3.139 1.00 0.00 C ATOM 442 CD GLN A 30 2.521 14.184 3.752 1.00 0.00 C ATOM 443 OE1 GLN A 30 1.646 14.956 4.148 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.816 14.468 3.834 1.00 0.00 N ATOM 0 H GLN A 30 2.235 10.876 0.525 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.069 11.299 2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.759 13.396 1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.427 13.691 2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.697 12.216 3.899 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.069 12.341 2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.507 13.800 3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.119 15.355 4.237 1.00 0.00 H new ATOM 453 N TYR A 31 -1.537 12.273 0.506 1.00 0.00 N ATOM 454 CA TYR A 31 -2.463 12.510 -0.596 1.00 0.00 C ATOM 455 C TYR A 31 -2.902 13.970 -0.633 1.00 0.00 C ATOM 456 O TYR A 31 -3.139 14.585 0.407 1.00 0.00 O ATOM 457 CB TYR A 31 -3.686 11.600 -0.467 1.00 0.00 C ATOM 458 CG TYR A 31 -4.524 11.884 0.759 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.100 11.487 2.022 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.741 12.547 0.655 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.863 11.744 3.145 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.509 12.809 1.772 1.00 0.00 C ATOM 463 CZ TYR A 31 -6.067 12.405 3.015 1.00 0.00 C ATOM 464 OH TYR A 31 -6.830 12.663 4.130 1.00 0.00 O ATOM 0 H TYR A 31 -1.931 12.442 1.432 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.946 12.281 -1.528 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.307 11.712 -1.356 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.355 10.562 -0.438 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.158 10.969 2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.092 12.863 -0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.519 11.429 4.119 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.451 13.328 1.673 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.646 13.136 3.865 1.00 0.00 H new ATOM 474 N ILE A 32 -3.010 14.518 -1.839 1.00 0.00 N ATOM 475 CA ILE A 32 -3.422 15.905 -2.013 1.00 0.00 C ATOM 476 C ILE A 32 -4.920 16.003 -2.285 1.00 0.00 C ATOM 477 O ILE A 32 -5.385 15.679 -3.378 1.00 0.00 O ATOM 478 CB ILE A 32 -2.657 16.579 -3.167 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.235 16.932 -2.727 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.396 17.823 -3.637 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.224 15.847 -3.024 1.00 0.00 C ATOM 0 H ILE A 32 -2.818 14.022 -2.710 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.189 16.423 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.596 15.880 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.927 17.851 -3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.234 17.135 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.843 18.288 -4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.391 17.545 -3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.484 18.528 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.762 16.166 -2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.508 14.932 -2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.196 15.660 -4.097 1.00 0.00 H new ATOM 493 N ASP A 33 -5.669 16.453 -1.285 1.00 0.00 N ATOM 494 CA ASP A 33 -7.114 16.597 -1.417 1.00 0.00 C ATOM 495 C ASP A 33 -7.463 17.798 -2.290 1.00 0.00 C ATOM 496 O ASP A 33 -6.605 18.626 -2.599 1.00 0.00 O ATOM 497 CB ASP A 33 -7.761 16.748 -0.039 1.00 0.00 C ATOM 498 CG ASP A 33 -9.275 16.758 -0.108 1.00 0.00 C ATOM 499 OD1 ASP A 33 -9.835 16.050 -0.972 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.901 17.472 0.703 1.00 0.00 O ATOM 0 H ASP A 33 -5.300 16.724 -0.374 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.502 15.698 -1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.435 15.930 0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.415 17.673 0.422 1.00 0.00 H new ATOM 505 N LYS A 34 -8.728 17.886 -2.688 1.00 0.00 N ATOM 506 CA LYS A 34 -9.192 18.985 -3.526 1.00 0.00 C ATOM 507 C LYS A 34 -8.352 20.237 -3.297 1.00 0.00 C ATOM 508 O LYS A 34 -7.520 20.598 -4.128 1.00 0.00 O ATOM 509 CB LYS A 34 -10.665 19.286 -3.239 1.00 0.00 C ATOM 510 CG LYS A 34 -11.581 18.093 -3.446 1.00 0.00 C ATOM 511 CD LYS A 34 -13.021 18.527 -3.662 1.00 0.00 C ATOM 512 CE LYS A 34 -13.261 18.968 -5.098 1.00 0.00 C ATOM 513 NZ LYS A 34 -13.518 17.809 -5.998 1.00 0.00 N ATOM 0 H LYS A 34 -9.450 17.209 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.085 18.684 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.762 19.634 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.993 20.101 -3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.241 17.517 -4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.524 17.435 -2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.691 17.703 -3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.261 19.346 -2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.111 19.649 -5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.394 19.522 -5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.677 18.151 -6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.697 17.171 -5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.360 17.295 -5.670 1.00 0.00 H new ATOM 527 N ASN A 35 -8.574 20.894 -2.163 1.00 0.00 N ATOM 528 CA ASN A 35 -7.836 22.105 -1.824 1.00 0.00 C ATOM 529 C ASN A 35 -7.087 21.935 -0.506 1.00 0.00 C ATOM 530 O ASN A 35 -6.681 22.914 0.120 1.00 0.00 O ATOM 531 CB ASN A 35 -8.789 23.299 -1.731 1.00 0.00 C ATOM 532 CG ASN A 35 -8.056 24.608 -1.515 1.00 0.00 C ATOM 533 OD1 ASN A 35 -8.228 25.266 -0.489 1.00 0.00 O ATOM 534 ND2 ASN A 35 -7.233 24.992 -2.484 1.00 0.00 N ATOM 0 H ASN A 35 -9.259 20.608 -1.464 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.108 22.290 -2.614 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.378 23.362 -2.646 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.489 23.138 -0.911 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.712 25.865 -2.395 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.122 24.414 -3.317 1.00 0.00 H new ATOM 541 N ILE A 36 -6.907 20.685 -0.091 1.00 0.00 N ATOM 542 CA ILE A 36 -6.205 20.387 1.151 1.00 0.00 C ATOM 543 C ILE A 36 -5.160 19.296 0.943 1.00 0.00 C ATOM 544 O ILE A 36 -5.342 18.393 0.126 1.00 0.00 O ATOM 545 CB ILE A 36 -7.181 19.943 2.256 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.386 20.884 2.310 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.473 19.902 3.602 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.507 20.485 1.376 1.00 0.00 C ATOM 0 H ILE A 36 -7.238 19.863 -0.597 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.710 21.307 1.463 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.538 18.939 2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.768 20.914 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.059 21.894 2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.176 19.586 4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.644 19.196 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.091 20.894 3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.328 21.197 1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.142 20.483 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.861 19.488 1.637 1.00 0.00 H new ATOM 560 N THR A 37 -4.063 19.384 1.690 1.00 0.00 N ATOM 561 CA THR A 37 -2.989 18.405 1.589 1.00 0.00 C ATOM 562 C THR A 37 -2.812 17.645 2.898 1.00 0.00 C ATOM 563 O THR A 37 -2.209 18.152 3.844 1.00 0.00 O ATOM 564 CB THR A 37 -1.653 19.074 1.213 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.842 19.956 0.101 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.604 18.029 0.865 1.00 0.00 C ATOM 0 H THR A 37 -3.896 20.124 2.372 1.00 0.00 H new ATOM 0 HA THR A 37 -3.272 17.706 0.802 1.00 0.00 H new ATOM 0 HB THR A 37 -1.303 19.645 2.073 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.988 20.378 -0.130 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.331 18.525 0.603 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.441 17.377 1.723 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.949 17.435 0.019 1.00 0.00 H new ATOM 574 N GLN A 38 -3.343 16.427 2.946 1.00 0.00 N ATOM 575 CA GLN A 38 -3.243 15.597 4.141 1.00 0.00 C ATOM 576 C GLN A 38 -2.406 14.352 3.870 1.00 0.00 C ATOM 577 O GLN A 38 -2.016 14.089 2.732 1.00 0.00 O ATOM 578 CB GLN A 38 -4.637 15.194 4.625 1.00 0.00 C ATOM 579 CG GLN A 38 -5.467 16.363 5.129 1.00 0.00 C ATOM 580 CD GLN A 38 -4.933 16.944 6.423 1.00 0.00 C ATOM 581 OE1 GLN A 38 -4.131 17.879 6.414 1.00 0.00 O ATOM 582 NE2 GLN A 38 -5.375 16.392 7.547 1.00 0.00 N ATOM 0 H GLN A 38 -3.846 15.994 2.172 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.751 16.181 4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.169 14.707 3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.537 14.459 5.424 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.490 17.142 4.367 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.495 16.035 5.280 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.039 15.619 7.509 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.050 16.741 8.449 1.00 0.00 H new ATOM 591 N CYS A 39 -2.133 13.588 4.923 1.00 0.00 N ATOM 592 CA CYS A 39 -1.341 12.370 4.799 1.00 0.00 C ATOM 593 C CYS A 39 -2.128 11.158 5.286 1.00 0.00 C ATOM 594 O CYS A 39 -3.075 11.290 6.061 1.00 0.00 O ATOM 595 CB CYS A 39 -0.039 12.501 5.591 1.00 0.00 C ATOM 596 SG CYS A 39 -0.276 12.682 7.375 1.00 0.00 S ATOM 0 H CYS A 39 -2.449 13.791 5.871 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.103 12.226 3.745 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.577 11.622 5.404 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.515 13.363 5.219 1.00 0.00 H new ATOM 0 HG CYS A 39 0.881 12.783 7.958 1.00 0.00 H new ATOM 602 N PHE A 40 -1.730 9.976 4.826 1.00 0.00 N ATOM 603 CA PHE A 40 -2.399 8.740 5.213 1.00 0.00 C ATOM 604 C PHE A 40 -1.973 8.306 6.612 1.00 0.00 C ATOM 605 O PHE A 40 -1.140 8.952 7.248 1.00 0.00 O ATOM 606 CB PHE A 40 -2.089 7.631 4.206 1.00 0.00 C ATOM 607 CG PHE A 40 -2.743 7.835 2.869 1.00 0.00 C ATOM 608 CD1 PHE A 40 -4.067 7.478 2.669 1.00 0.00 C ATOM 609 CD2 PHE A 40 -2.035 8.384 1.813 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.671 7.664 1.440 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.633 8.573 0.581 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.954 8.213 0.395 1.00 0.00 C ATOM 0 H PHE A 40 -0.947 9.849 4.185 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.473 8.925 5.221 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.010 7.568 4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.414 6.676 4.618 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.633 7.050 3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.003 8.668 1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.703 7.380 1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.069 9.001 -0.234 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.425 8.361 -0.566 1.00 0.00 H new ATOM 622 N ASP A 41 -2.550 7.207 7.085 1.00 0.00 N ATOM 623 CA ASP A 41 -2.231 6.684 8.409 1.00 0.00 C ATOM 624 C ASP A 41 -0.952 5.853 8.371 1.00 0.00 C ATOM 625 O ASP A 41 -0.337 5.688 7.317 1.00 0.00 O ATOM 626 CB ASP A 41 -3.389 5.838 8.939 1.00 0.00 C ATOM 627 CG ASP A 41 -3.391 5.743 10.452 1.00 0.00 C ATOM 628 OD1 ASP A 41 -3.480 6.799 11.113 1.00 0.00 O ATOM 629 OD2 ASP A 41 -3.302 4.612 10.976 1.00 0.00 O ATOM 0 H ASP A 41 -3.241 6.661 6.571 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.073 7.529 9.079 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.333 6.268 8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.327 4.836 8.515 1.00 0.00 H new ATOM 634 N LYS A 42 -0.557 5.332 9.528 1.00 0.00 N ATOM 635 CA LYS A 42 0.648 4.518 9.628 1.00 0.00 C ATOM 636 C LYS A 42 0.444 3.160 8.965 1.00 0.00 C ATOM 637 O LYS A 42 1.371 2.597 8.383 1.00 0.00 O ATOM 638 CB LYS A 42 1.038 4.327 11.096 1.00 0.00 C ATOM 639 CG LYS A 42 0.040 3.499 11.888 1.00 0.00 C ATOM 640 CD LYS A 42 0.296 3.597 13.382 1.00 0.00 C ATOM 641 CE LYS A 42 -0.562 2.612 14.160 1.00 0.00 C ATOM 642 NZ LYS A 42 -0.235 2.618 15.613 1.00 0.00 N ATOM 0 H LYS A 42 -1.054 5.459 10.409 1.00 0.00 H new ATOM 0 HA LYS A 42 1.452 5.039 9.109 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.015 3.846 11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.140 5.305 11.566 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.972 3.839 11.668 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.101 2.457 11.575 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.349 3.403 13.585 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.087 4.611 13.722 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.614 2.861 14.024 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.417 1.609 13.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.841 1.933 16.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.763 2.356 15.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.398 3.569 16.002 1.00 0.00 H new ATOM 656 N MET A 43 -0.776 2.639 9.055 1.00 0.00 N ATOM 657 CA MET A 43 -1.101 1.348 8.461 1.00 0.00 C ATOM 658 C MET A 43 -1.310 1.480 6.955 1.00 0.00 C ATOM 659 O MET A 43 -0.855 0.640 6.179 1.00 0.00 O ATOM 660 CB MET A 43 -2.356 0.764 9.112 1.00 0.00 C ATOM 661 CG MET A 43 -2.142 0.315 10.549 1.00 0.00 C ATOM 662 SD MET A 43 -1.526 -1.376 10.663 1.00 0.00 S ATOM 663 CE MET A 43 -1.023 -1.437 12.381 1.00 0.00 C ATOM 0 H MET A 43 -1.555 3.091 9.533 1.00 0.00 H new ATOM 0 HA MET A 43 -0.262 0.674 8.637 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.149 1.511 9.088 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.700 -0.085 8.522 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.436 0.988 11.035 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.083 0.392 11.094 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.619 -2.424 12.607 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.259 -0.681 12.563 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.885 -1.243 13.020 1.00 0.00 H new ATOM 673 N THR A 44 -2.002 2.540 6.549 1.00 0.00 N ATOM 674 CA THR A 44 -2.273 2.780 5.137 1.00 0.00 C ATOM 675 C THR A 44 -1.038 3.321 4.425 1.00 0.00 C ATOM 676 O THR A 44 -0.750 2.944 3.290 1.00 0.00 O ATOM 677 CB THR A 44 -3.436 3.772 4.949 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.624 3.257 5.561 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.692 4.033 3.473 1.00 0.00 C ATOM 0 H THR A 44 -2.385 3.246 7.178 1.00 0.00 H new ATOM 0 HA THR A 44 -2.550 1.820 4.700 1.00 0.00 H new ATOM 0 HB THR A 44 -3.161 4.713 5.425 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.358 3.895 5.438 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.518 4.736 3.366 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.796 4.453 3.017 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.946 3.097 2.977 1.00 0.00 H new ATOM 687 N ASN A 45 -0.312 4.206 5.100 1.00 0.00 N ATOM 688 CA ASN A 45 0.893 4.799 4.531 1.00 0.00 C ATOM 689 C ASN A 45 1.765 3.734 3.874 1.00 0.00 C ATOM 690 O ASN A 45 2.323 3.951 2.799 1.00 0.00 O ATOM 691 CB ASN A 45 1.689 5.528 5.616 1.00 0.00 C ATOM 692 CG ASN A 45 3.138 5.740 5.225 1.00 0.00 C ATOM 693 OD1 ASN A 45 3.520 6.821 4.774 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.955 4.707 5.395 1.00 0.00 N ATOM 0 H ASN A 45 -0.537 4.528 6.041 1.00 0.00 H new ATOM 0 HA ASN A 45 0.590 5.516 3.768 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.225 6.493 5.817 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.645 4.955 6.542 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.941 4.791 5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.596 3.830 5.772 1.00 0.00 H new ATOM 701 N MET A 46 1.877 2.582 4.528 1.00 0.00 N ATOM 702 CA MET A 46 2.679 1.482 4.006 1.00 0.00 C ATOM 703 C MET A 46 1.924 0.727 2.916 1.00 0.00 C ATOM 704 O MET A 46 2.496 0.362 1.889 1.00 0.00 O ATOM 705 CB MET A 46 3.064 0.524 5.134 1.00 0.00 C ATOM 706 CG MET A 46 2.060 -0.597 5.348 1.00 0.00 C ATOM 707 SD MET A 46 2.466 -1.632 6.768 1.00 0.00 S ATOM 708 CE MET A 46 1.631 -0.746 8.082 1.00 0.00 C ATOM 0 H MET A 46 1.423 2.386 5.420 1.00 0.00 H new ATOM 0 HA MET A 46 3.586 1.901 3.570 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.039 0.090 4.914 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.168 1.089 6.060 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.067 -0.169 5.488 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.017 -1.217 4.452 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.257 -0.743 8.974 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.443 0.280 7.767 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.683 -1.236 8.306 1.00 0.00 H new ATOM 718 N LYS A 47 0.636 0.496 3.148 1.00 0.00 N ATOM 719 CA LYS A 47 -0.198 -0.215 2.186 1.00 0.00 C ATOM 720 C LYS A 47 0.041 0.302 0.771 1.00 0.00 C ATOM 721 O LYS A 47 -0.187 -0.411 -0.207 1.00 0.00 O ATOM 722 CB LYS A 47 -1.676 -0.064 2.553 1.00 0.00 C ATOM 723 CG LYS A 47 -2.121 -0.981 3.679 1.00 0.00 C ATOM 724 CD LYS A 47 -3.627 -0.935 3.874 1.00 0.00 C ATOM 725 CE LYS A 47 -4.025 -1.426 5.257 1.00 0.00 C ATOM 726 NZ LYS A 47 -4.249 -2.898 5.280 1.00 0.00 N ATOM 0 H LYS A 47 0.147 0.791 3.993 1.00 0.00 H new ATOM 0 HA LYS A 47 0.073 -1.270 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.866 0.970 2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.283 -0.266 1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.813 -2.003 3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.624 -0.690 4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.982 0.086 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.112 -1.549 3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.245 -1.166 5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.934 -0.915 5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.519 -3.193 6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.011 -3.144 4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.375 -3.387 5.000 1.00 0.00 H new ATOM 740 N LEU A 48 0.502 1.543 0.670 1.00 0.00 N ATOM 741 CA LEU A 48 0.774 2.155 -0.626 1.00 0.00 C ATOM 742 C LEU A 48 2.194 1.843 -1.088 1.00 0.00 C ATOM 743 O LEU A 48 2.405 1.392 -2.213 1.00 0.00 O ATOM 744 CB LEU A 48 0.571 3.669 -0.550 1.00 0.00 C ATOM 745 CG LEU A 48 -0.814 4.139 -0.104 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.781 5.610 0.280 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.839 3.896 -1.203 1.00 0.00 C ATOM 0 H LEU A 48 0.695 2.146 1.470 1.00 0.00 H new ATOM 0 HA LEU A 48 0.076 1.737 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.311 4.081 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.777 4.093 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.107 3.562 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.776 5.926 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.077 5.756 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.466 6.203 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.819 4.236 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.550 4.446 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.883 2.831 -1.430 1.00 0.00 H new ATOM 759 N GLU A 49 3.163 2.086 -0.211 1.00 0.00 N ATOM 760 CA GLU A 49 4.562 1.829 -0.530 1.00 0.00 C ATOM 761 C GLU A 49 4.763 0.383 -0.972 1.00 0.00 C ATOM 762 O GLU A 49 5.440 0.114 -1.965 1.00 0.00 O ATOM 763 CB GLU A 49 5.448 2.132 0.681 1.00 0.00 C ATOM 764 CG GLU A 49 5.659 0.936 1.594 1.00 0.00 C ATOM 765 CD GLU A 49 6.596 1.240 2.747 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.805 1.426 2.495 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.121 1.293 3.900 1.00 0.00 O ATOM 0 H GLU A 49 3.005 2.460 0.725 1.00 0.00 H new ATOM 0 HA GLU A 49 4.847 2.485 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.417 2.487 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.999 2.942 1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.696 0.611 1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.062 0.106 1.013 1.00 0.00 H new ATOM 774 N VAL A 50 4.171 -0.546 -0.227 1.00 0.00 N ATOM 775 CA VAL A 50 4.284 -1.965 -0.542 1.00 0.00 C ATOM 776 C VAL A 50 3.871 -2.243 -1.982 1.00 0.00 C ATOM 777 O VAL A 50 4.415 -3.134 -2.634 1.00 0.00 O ATOM 778 CB VAL A 50 3.419 -2.819 0.403 1.00 0.00 C ATOM 779 CG1 VAL A 50 4.019 -2.845 1.801 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.991 -2.296 0.437 1.00 0.00 C ATOM 0 H VAL A 50 3.608 -0.341 0.599 1.00 0.00 H new ATOM 0 HA VAL A 50 5.331 -2.237 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 50 3.399 -3.841 0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.393 -3.453 2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.021 -3.271 1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.072 -1.829 2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.394 -2.912 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.989 -1.265 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.565 -2.336 -0.565 1.00 0.00 H new ATOM 790 N ALA A 51 2.905 -1.474 -2.474 1.00 0.00 N ATOM 791 CA ALA A 51 2.420 -1.635 -3.839 1.00 0.00 C ATOM 792 C ALA A 51 3.360 -0.970 -4.838 1.00 0.00 C ATOM 793 O ALA A 51 3.494 -1.423 -5.975 1.00 0.00 O ATOM 794 CB ALA A 51 1.016 -1.064 -3.971 1.00 0.00 C ATOM 0 H ALA A 51 2.443 -0.733 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 51 2.389 -2.701 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.666 -1.191 -4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.345 -1.588 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.030 -0.003 -3.721 1.00 0.00 H new ATOM 800 N TRP A 52 4.008 0.106 -4.407 1.00 0.00 N ATOM 801 CA TRP A 52 4.936 0.834 -5.266 1.00 0.00 C ATOM 802 C TRP A 52 6.226 0.045 -5.465 1.00 0.00 C ATOM 803 O TRP A 52 6.888 0.170 -6.496 1.00 0.00 O ATOM 804 CB TRP A 52 5.250 2.205 -4.665 1.00 0.00 C ATOM 805 CG TRP A 52 6.021 3.097 -5.591 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.555 4.206 -6.237 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.393 2.953 -5.974 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.555 4.760 -7.000 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.692 4.011 -6.855 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.398 2.035 -5.658 1.00 0.00 C ATOM 811 CZ2 TRP A 52 8.954 4.173 -7.421 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.649 2.197 -6.221 1.00 0.00 C ATOM 813 CH2 TRP A 52 9.919 3.259 -7.094 1.00 0.00 C ATOM 0 H TRP A 52 3.908 0.494 -3.469 1.00 0.00 H new ATOM 0 HA TRP A 52 4.462 0.971 -6.238 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.316 2.697 -4.392 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.819 2.069 -3.745 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.549 4.591 -6.160 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.465 5.594 -7.580 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.200 1.213 -4.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.164 4.991 -8.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.433 1.493 -5.984 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.908 3.358 -7.517 1.00 0.00 H new ATOM 824 N LYS A 53 6.577 -0.767 -4.474 1.00 0.00 N ATOM 825 CA LYS A 53 7.787 -1.577 -4.541 1.00 0.00 C ATOM 826 C LYS A 53 7.497 -2.937 -5.168 1.00 0.00 C ATOM 827 O LYS A 53 8.363 -3.533 -5.808 1.00 0.00 O ATOM 828 CB LYS A 53 8.378 -1.765 -3.142 1.00 0.00 C ATOM 829 CG LYS A 53 8.857 -0.472 -2.505 1.00 0.00 C ATOM 830 CD LYS A 53 10.252 -0.100 -2.980 1.00 0.00 C ATOM 831 CE LYS A 53 11.310 -1.001 -2.362 1.00 0.00 C ATOM 832 NZ LYS A 53 11.789 -0.477 -1.054 1.00 0.00 N ATOM 0 H LYS A 53 6.040 -0.882 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 53 8.510 -1.054 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.626 -2.221 -2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.213 -2.463 -3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.163 0.333 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.857 -0.578 -1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.299 -0.174 -4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.461 0.938 -2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.900 -2.001 -2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.153 -1.094 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.509 -1.119 -0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.204 0.467 -1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.989 -0.412 -0.392 1.00 0.00 H new ATOM 846 N ALA A 54 6.273 -3.420 -4.983 1.00 0.00 N ATOM 847 CA ALA A 54 5.868 -4.708 -5.533 1.00 0.00 C ATOM 848 C ALA A 54 5.523 -4.587 -7.014 1.00 0.00 C ATOM 849 O ALA A 54 4.945 -5.500 -7.604 1.00 0.00 O ATOM 850 CB ALA A 54 4.685 -5.265 -4.757 1.00 0.00 C ATOM 0 H ALA A 54 5.544 -2.939 -4.456 1.00 0.00 H new ATOM 0 HA ALA A 54 6.707 -5.397 -5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.394 -6.227 -5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.965 -5.397 -3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.847 -4.571 -4.823 1.00 0.00 H new ATOM 856 N LYS A 55 5.881 -3.455 -7.610 1.00 0.00 N ATOM 857 CA LYS A 55 5.610 -3.214 -9.022 1.00 0.00 C ATOM 858 C LYS A 55 4.127 -3.390 -9.329 1.00 0.00 C ATOM 859 O LYS A 55 3.757 -3.955 -10.359 1.00 0.00 O ATOM 860 CB LYS A 55 6.437 -4.165 -9.891 1.00 0.00 C ATOM 861 CG LYS A 55 7.937 -3.958 -9.761 1.00 0.00 C ATOM 862 CD LYS A 55 8.682 -4.510 -10.964 1.00 0.00 C ATOM 863 CE LYS A 55 9.048 -5.974 -10.770 1.00 0.00 C ATOM 864 NZ LYS A 55 9.211 -6.682 -12.070 1.00 0.00 N ATOM 0 H LYS A 55 6.360 -2.689 -7.136 1.00 0.00 H new ATOM 0 HA LYS A 55 5.891 -2.186 -9.249 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.196 -5.193 -9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.149 -4.033 -10.934 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.151 -2.894 -9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.295 -4.446 -8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.065 -4.403 -11.856 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.587 -3.927 -11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.974 -6.044 -10.200 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.274 -6.467 -10.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.460 -7.676 -11.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.320 -6.637 -12.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.967 -6.227 -12.620 1.00 0.00 H new ATOM 878 N LYS A 56 3.279 -2.901 -8.430 1.00 0.00 N ATOM 879 CA LYS A 56 1.835 -3.000 -8.605 1.00 0.00 C ATOM 880 C LYS A 56 1.328 -1.929 -9.565 1.00 0.00 C ATOM 881 O LYS A 56 2.065 -1.015 -9.938 1.00 0.00 O ATOM 882 CB LYS A 56 1.126 -2.867 -7.255 1.00 0.00 C ATOM 883 CG LYS A 56 1.284 -4.086 -6.363 1.00 0.00 C ATOM 884 CD LYS A 56 0.155 -5.081 -6.572 1.00 0.00 C ATOM 885 CE LYS A 56 -1.010 -4.807 -5.632 1.00 0.00 C ATOM 886 NZ LYS A 56 -2.183 -5.672 -5.936 1.00 0.00 N ATOM 0 H LYS A 56 3.568 -2.432 -7.572 1.00 0.00 H new ATOM 0 HA LYS A 56 1.613 -3.979 -9.030 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.516 -1.993 -6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.065 -2.688 -7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.239 -4.569 -6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.306 -3.773 -5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.190 -5.030 -7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.525 -6.093 -6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.693 -4.974 -4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.301 -3.760 -5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.955 -5.455 -5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.502 -5.495 -6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.912 -6.671 -5.837 1.00 0.00 H new ATOM 900 N LYS A 57 0.065 -2.045 -9.961 1.00 0.00 N ATOM 901 CA LYS A 57 -0.542 -1.086 -10.876 1.00 0.00 C ATOM 902 C LYS A 57 -1.423 -0.096 -10.119 1.00 0.00 C ATOM 903 O LYS A 57 -1.542 1.066 -10.508 1.00 0.00 O ATOM 904 CB LYS A 57 -1.370 -1.814 -11.937 1.00 0.00 C ATOM 905 CG LYS A 57 -1.645 -0.977 -13.174 1.00 0.00 C ATOM 906 CD LYS A 57 -0.400 -0.823 -14.031 1.00 0.00 C ATOM 907 CE LYS A 57 -0.726 -0.206 -15.382 1.00 0.00 C ATOM 908 NZ LYS A 57 -0.905 1.270 -15.289 1.00 0.00 N ATOM 0 H LYS A 57 -0.559 -2.795 -9.662 1.00 0.00 H new ATOM 0 HA LYS A 57 0.259 -0.533 -11.367 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.847 -2.723 -12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.319 -2.121 -11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.437 -1.443 -13.761 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.006 0.007 -12.876 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.326 -0.199 -13.511 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.065 -1.798 -14.178 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.074 -0.431 -16.087 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.636 -0.658 -15.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.126 1.653 -16.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.686 1.485 -14.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.029 1.704 -14.936 1.00 0.00 H new ATOM 922 N ASP A 58 -2.036 -0.564 -9.038 1.00 0.00 N ATOM 923 CA ASP A 58 -2.904 0.281 -8.226 1.00 0.00 C ATOM 924 C ASP A 58 -3.366 -0.459 -6.974 1.00 0.00 C ATOM 925 O ASP A 58 -3.661 -1.654 -7.019 1.00 0.00 O ATOM 926 CB ASP A 58 -4.116 0.737 -9.040 1.00 0.00 C ATOM 927 CG ASP A 58 -4.722 -0.389 -9.856 1.00 0.00 C ATOM 928 OD1 ASP A 58 -5.155 -1.392 -9.252 1.00 0.00 O ATOM 929 OD2 ASP A 58 -4.761 -0.267 -11.099 1.00 0.00 O ATOM 0 H ASP A 58 -1.948 -1.524 -8.703 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.332 1.157 -7.919 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.872 1.141 -8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.819 1.546 -9.707 1.00 0.00 H new ATOM 934 N THR A 59 -3.427 0.259 -5.857 1.00 0.00 N ATOM 935 CA THR A 59 -3.850 -0.329 -4.593 1.00 0.00 C ATOM 936 C THR A 59 -5.084 0.379 -4.043 1.00 0.00 C ATOM 937 O THR A 59 -5.196 1.602 -4.121 1.00 0.00 O ATOM 938 CB THR A 59 -2.727 -0.269 -3.541 1.00 0.00 C ATOM 939 OG1 THR A 59 -3.196 -0.791 -2.292 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.241 1.160 -3.349 1.00 0.00 C ATOM 0 H THR A 59 -3.189 1.249 -5.803 1.00 0.00 H new ATOM 0 HA THR A 59 -4.092 -1.372 -4.796 1.00 0.00 H new ATOM 0 HB THR A 59 -1.894 -0.875 -3.897 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.475 -0.751 -1.629 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.448 1.177 -2.601 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.857 1.544 -4.294 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.069 1.784 -3.014 1.00 0.00 H new ATOM 948 N VAL A 60 -6.007 -0.399 -3.486 1.00 0.00 N ATOM 949 CA VAL A 60 -7.232 0.154 -2.921 1.00 0.00 C ATOM 950 C VAL A 60 -7.070 0.444 -1.433 1.00 0.00 C ATOM 951 O VAL A 60 -6.498 -0.356 -0.693 1.00 0.00 O ATOM 952 CB VAL A 60 -8.423 -0.802 -3.119 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.543 -0.470 -2.145 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.920 -0.744 -4.556 1.00 0.00 C ATOM 0 H VAL A 60 -5.930 -1.414 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.431 1.086 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.087 -1.819 -2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.376 -1.156 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.177 -0.568 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.880 0.553 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.762 -1.426 -4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.239 0.272 -4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.116 -1.036 -5.231 1.00 0.00 H new ATOM 964 N VAL A 61 -7.577 1.595 -1.001 1.00 0.00 N ATOM 965 CA VAL A 61 -7.489 1.991 0.399 1.00 0.00 C ATOM 966 C VAL A 61 -8.749 2.727 0.842 1.00 0.00 C ATOM 967 O VAL A 61 -9.433 3.349 0.029 1.00 0.00 O ATOM 968 CB VAL A 61 -6.266 2.891 0.652 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.976 2.121 0.410 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.328 4.133 -0.224 1.00 0.00 C ATOM 0 H VAL A 61 -8.053 2.269 -1.601 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.383 1.075 0.981 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.281 3.209 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.123 2.774 0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.931 1.266 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.949 1.771 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.456 4.758 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.339 3.838 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.234 4.695 0.005 1.00 0.00 H new ATOM 980 N GLN A 62 -9.048 2.653 2.134 1.00 0.00 N ATOM 981 CA GLN A 62 -10.226 3.313 2.685 1.00 0.00 C ATOM 982 C GLN A 62 -9.946 4.787 2.958 1.00 0.00 C ATOM 983 O GLN A 62 -9.213 5.128 3.887 1.00 0.00 O ATOM 984 CB GLN A 62 -10.670 2.619 3.973 1.00 0.00 C ATOM 985 CG GLN A 62 -11.220 1.219 3.752 1.00 0.00 C ATOM 986 CD GLN A 62 -10.133 0.163 3.721 1.00 0.00 C ATOM 987 OE1 GLN A 62 -9.560 -0.186 4.754 1.00 0.00 O ATOM 988 NE2 GLN A 62 -9.844 -0.354 2.532 1.00 0.00 N ATOM 0 H GLN A 62 -8.491 2.143 2.819 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.027 3.244 1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.823 2.564 4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.433 3.227 4.459 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.929 0.982 4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.772 1.194 2.813 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.344 -0.035 1.702 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.122 -1.070 2.449 1.00 0.00 H new ATOM 997 N ILE A 63 -10.534 5.656 2.143 1.00 0.00 N ATOM 998 CA ILE A 63 -10.348 7.094 2.298 1.00 0.00 C ATOM 999 C ILE A 63 -11.680 7.798 2.535 1.00 0.00 C ATOM 1000 O ILE A 63 -12.517 7.884 1.637 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.668 7.710 1.061 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.226 7.211 0.943 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.704 9.229 1.138 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.499 7.745 -0.271 1.00 0.00 C ATOM 0 H ILE A 63 -11.143 5.390 1.369 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.704 7.237 3.166 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.215 7.398 0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.677 7.497 1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.229 6.122 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.220 9.650 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.740 9.567 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.179 9.560 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.483 7.350 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.025 7.437 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.464 8.833 -0.225 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.868 8.301 3.751 1.00 0.00 N ATOM 1017 CA HIS A 64 -13.098 9.001 4.107 1.00 0.00 C ATOM 1018 C HIS A 64 -14.262 8.023 4.232 1.00 0.00 C ATOM 1019 O HIS A 64 -15.378 8.314 3.804 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.423 10.068 3.061 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.265 10.961 2.736 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -12.393 12.122 2.004 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -10.952 10.857 3.049 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -11.208 12.694 1.880 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -10.317 11.947 2.506 1.00 0.00 N ATOM 0 H HIS A 64 -11.185 8.237 4.506 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.947 9.484 5.072 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.761 9.579 2.148 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.251 10.678 3.421 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.490 10.065 3.619 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.003 13.616 1.356 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.319 12.147 2.575 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.993 6.862 4.821 1.00 0.00 N ATOM 1035 CA ASN A 65 -15.019 5.841 5.002 1.00 0.00 C ATOM 1036 C ASN A 65 -15.535 5.345 3.655 1.00 0.00 C ATOM 1037 O ASN A 65 -16.684 4.920 3.538 1.00 0.00 O ATOM 1038 CB ASN A 65 -16.178 6.394 5.832 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.911 6.315 7.323 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -15.470 5.285 7.832 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -16.177 7.407 8.030 1.00 0.00 N ATOM 0 H ASN A 65 -13.074 6.605 5.181 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.571 5.001 5.532 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.359 7.432 5.553 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -17.086 5.838 5.598 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.017 7.414 9.037 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.542 8.239 7.566 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.677 5.401 2.641 1.00 0.00 N ATOM 1049 CA GLN A 66 -15.046 4.957 1.302 1.00 0.00 C ATOM 1050 C GLN A 66 -13.845 4.363 0.575 1.00 0.00 C ATOM 1051 O GLN A 66 -12.762 4.949 0.564 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.621 6.122 0.496 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.948 7.454 0.787 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.849 8.639 0.501 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -17.074 8.510 0.478 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.247 9.802 0.281 1.00 0.00 N ATOM 0 H GLN A 66 -13.722 5.749 2.721 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.807 4.183 1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.525 5.900 -0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.687 6.209 0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.641 7.480 1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.042 7.538 0.186 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.229 9.863 0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -15.802 10.634 0.083 1.00 0.00 H new ATOM 1065 N ASP A 67 -14.043 3.198 -0.032 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.976 2.525 -0.763 1.00 0.00 C ATOM 1067 C ASP A 67 -12.530 3.357 -1.962 1.00 0.00 C ATOM 1068 O ASP A 67 -13.354 3.816 -2.753 1.00 0.00 O ATOM 1069 CB ASP A 67 -13.440 1.144 -1.229 1.00 0.00 C ATOM 1070 CG ASP A 67 -14.644 1.217 -2.147 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -15.775 1.334 -1.632 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -14.455 1.157 -3.380 1.00 0.00 O ATOM 0 H ASP A 67 -14.933 2.700 -0.032 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.127 2.406 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.621 0.645 -1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.686 0.534 -0.360 1.00 0.00 H new ATOM 1077 N PHE A 68 -11.221 3.548 -2.089 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.666 4.326 -3.190 1.00 0.00 C ATOM 1079 C PHE A 68 -9.551 3.557 -3.893 1.00 0.00 C ATOM 1080 O PHE A 68 -8.897 2.703 -3.293 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.132 5.666 -2.678 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.142 6.776 -2.736 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.398 6.617 -2.174 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.835 7.978 -3.353 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.329 7.637 -2.227 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.762 9.001 -3.409 1.00 0.00 C ATOM 1087 CZ PHE A 68 -13.011 8.831 -2.844 1.00 0.00 C ATOM 0 H PHE A 68 -10.525 3.175 -1.443 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.464 4.511 -3.909 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.796 5.545 -1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.259 5.949 -3.266 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.652 5.686 -1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.860 8.117 -3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.305 7.500 -1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.510 9.933 -3.894 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.737 9.630 -2.885 1.00 0.00 H new ATOM 1097 N THR A 69 -9.340 3.865 -5.168 1.00 0.00 N ATOM 1098 CA THR A 69 -8.306 3.202 -5.954 1.00 0.00 C ATOM 1099 C THR A 69 -7.117 4.127 -6.189 1.00 0.00 C ATOM 1100 O THR A 69 -7.213 5.101 -6.936 1.00 0.00 O ATOM 1101 CB THR A 69 -8.851 2.730 -7.315 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.040 1.955 -7.124 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.813 1.901 -8.056 1.00 0.00 C ATOM 0 H THR A 69 -9.871 4.570 -5.679 1.00 0.00 H new ATOM 0 HA THR A 69 -7.981 2.334 -5.381 1.00 0.00 H new ATOM 0 HB THR A 69 -9.084 3.611 -7.914 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.381 1.660 -7.994 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.221 1.579 -9.014 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.920 2.503 -8.226 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.553 1.026 -7.460 1.00 0.00 H new ATOM 1111 N VAL A 70 -5.995 3.815 -5.547 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.786 4.617 -5.688 1.00 0.00 C ATOM 1113 C VAL A 70 -3.877 4.054 -6.775 1.00 0.00 C ATOM 1114 O VAL A 70 -3.276 2.993 -6.608 1.00 0.00 O ATOM 1115 CB VAL A 70 -4.002 4.687 -4.364 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.684 5.419 -4.562 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.838 5.359 -3.285 1.00 0.00 C ATOM 0 H VAL A 70 -5.899 3.013 -4.925 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.103 5.622 -5.968 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.780 3.671 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.144 5.459 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.082 4.891 -5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.880 6.433 -4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.269 5.400 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.093 6.371 -3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.753 4.788 -3.125 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.781 4.772 -7.888 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.943 4.346 -9.003 1.00 0.00 C ATOM 1129 C ASP A 71 -1.508 4.830 -8.821 1.00 0.00 C ATOM 1130 O ASP A 71 -1.251 6.032 -8.747 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.508 4.873 -10.323 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.168 3.976 -11.498 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -2.103 4.187 -12.115 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -3.966 3.064 -11.799 1.00 0.00 O ATOM 0 H ASP A 71 -4.273 5.652 -8.043 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.939 3.256 -9.027 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.591 4.964 -10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.117 5.873 -10.508 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.576 3.886 -8.748 1.00 0.00 N ATOM 1140 CA LEU A 72 0.834 4.215 -8.573 1.00 0.00 C ATOM 1141 C LEU A 72 1.423 4.788 -9.858 1.00 0.00 C ATOM 1142 O LEU A 72 2.200 5.742 -9.826 1.00 0.00 O ATOM 1143 CB LEU A 72 1.619 2.973 -8.148 1.00 0.00 C ATOM 1144 CG LEU A 72 1.096 2.238 -6.914 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.522 0.779 -6.941 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.586 2.915 -5.642 1.00 0.00 C ATOM 0 H LEU A 72 -0.772 2.887 -8.807 1.00 0.00 H new ATOM 0 HA LEU A 72 0.911 4.971 -7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.634 2.273 -8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.652 3.267 -7.960 1.00 0.00 H new ATOM 0 HG LEU A 72 0.007 2.277 -6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.140 0.272 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.121 0.299 -7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.610 0.718 -6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.204 2.378 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.676 2.908 -5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.230 3.945 -5.618 1.00 0.00 H new ATOM 1158 N SER A 73 1.046 4.200 -10.989 1.00 0.00 N ATOM 1159 CA SER A 73 1.538 4.650 -12.286 1.00 0.00 C ATOM 1160 C SER A 73 1.527 6.173 -12.372 1.00 0.00 C ATOM 1161 O SER A 73 2.548 6.799 -12.661 1.00 0.00 O ATOM 1162 CB SER A 73 0.688 4.058 -13.412 1.00 0.00 C ATOM 1163 OG SER A 73 1.429 3.964 -14.616 1.00 0.00 O ATOM 0 H SER A 73 0.401 3.411 -11.033 1.00 0.00 H new ATOM 0 HA SER A 73 2.566 4.304 -12.397 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.333 3.069 -13.122 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.193 4.679 -13.571 1.00 0.00 H new ATOM 0 HG SER A 73 0.864 3.581 -15.319 1.00 0.00 H new ATOM 1169 N THR A 74 0.364 6.765 -12.120 1.00 0.00 N ATOM 1170 CA THR A 74 0.217 8.214 -12.169 1.00 0.00 C ATOM 1171 C THR A 74 0.266 8.820 -10.772 1.00 0.00 C ATOM 1172 O THR A 74 0.516 10.014 -10.611 1.00 0.00 O ATOM 1173 CB THR A 74 -1.105 8.622 -12.847 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.156 10.044 -13.005 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.299 8.155 -12.029 1.00 0.00 C ATOM 0 H THR A 74 -0.491 6.263 -11.880 1.00 0.00 H new ATOM 0 HA THR A 74 1.052 8.596 -12.757 1.00 0.00 H new ATOM 0 HB THR A 74 -1.147 8.146 -13.827 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.999 10.295 -13.438 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.221 8.454 -12.527 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.273 7.069 -11.935 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.260 8.606 -11.037 1.00 0.00 H new ATOM 1183 N ASN A 75 0.028 7.989 -9.763 1.00 0.00 N ATOM 1184 CA ASN A 75 0.045 8.444 -8.377 1.00 0.00 C ATOM 1185 C ASN A 75 -1.169 9.317 -8.075 1.00 0.00 C ATOM 1186 O ASN A 75 -1.039 10.420 -7.544 1.00 0.00 O ATOM 1187 CB ASN A 75 1.331 9.223 -8.090 1.00 0.00 C ATOM 1188 CG ASN A 75 2.528 8.654 -8.827 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.705 8.891 -10.022 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.356 7.898 -8.116 1.00 0.00 N ATOM 0 H ASN A 75 -0.179 6.997 -9.879 1.00 0.00 H new ATOM 0 HA ASN A 75 0.008 7.566 -7.732 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.193 10.265 -8.377 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.528 9.211 -7.018 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.178 7.487 -8.558 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.170 7.728 -7.128 1.00 0.00 H new ATOM 1197 N THR A 76 -2.352 8.815 -8.418 1.00 0.00 N ATOM 1198 CA THR A 76 -3.590 9.548 -8.185 1.00 0.00 C ATOM 1199 C THR A 76 -4.701 8.615 -7.716 1.00 0.00 C ATOM 1200 O THR A 76 -4.883 7.528 -8.263 1.00 0.00 O ATOM 1201 CB THR A 76 -4.055 10.284 -9.456 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.062 11.232 -9.864 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.376 10.997 -9.215 1.00 0.00 C ATOM 0 H THR A 76 -2.478 7.904 -8.858 1.00 0.00 H new ATOM 0 HA THR A 76 -3.382 10.281 -7.406 1.00 0.00 H new ATOM 0 HB THR A 76 -4.198 9.546 -10.245 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.364 11.694 -10.673 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.684 11.510 -10.126 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.136 10.269 -8.933 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.256 11.725 -8.412 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.441 9.048 -6.701 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.536 8.253 -6.161 1.00 0.00 C ATOM 1213 C ALA A 77 -7.859 8.617 -6.826 1.00 0.00 C ATOM 1214 O ALA A 77 -8.088 9.772 -7.187 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.632 8.440 -4.654 1.00 0.00 C ATOM 0 H ALA A 77 -5.302 9.945 -6.236 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.329 7.204 -6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.454 7.840 -4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.699 8.123 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.811 9.491 -4.429 1.00 0.00 H new ATOM 1221 N THR A 78 -8.729 7.624 -6.986 1.00 0.00 N ATOM 1222 CA THR A 78 -10.029 7.840 -7.610 1.00 0.00 C ATOM 1223 C THR A 78 -11.085 6.917 -7.013 1.00 0.00 C ATOM 1224 O THR A 78 -10.785 5.793 -6.611 1.00 0.00 O ATOM 1225 CB THR A 78 -9.966 7.612 -9.132 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.817 8.269 -9.679 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.225 8.133 -9.809 1.00 0.00 C ATOM 0 H THR A 78 -8.557 6.663 -6.692 1.00 0.00 H new ATOM 0 HA THR A 78 -10.305 8.877 -7.416 1.00 0.00 H new ATOM 0 HB THR A 78 -9.891 6.540 -9.314 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.784 8.118 -10.647 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.158 7.961 -10.883 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.095 7.610 -9.411 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.325 9.201 -9.618 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.322 7.399 -6.958 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.423 6.615 -6.412 1.00 0.00 C ATOM 1237 C ALA A 79 -14.683 6.778 -7.255 1.00 0.00 C ATOM 1238 O ALA A 79 -14.886 7.792 -7.924 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.695 7.020 -4.970 1.00 0.00 C ATOM 0 H ALA A 79 -12.587 8.328 -7.285 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.135 5.564 -6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.520 6.427 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.802 6.847 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.958 8.077 -4.932 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.552 5.756 -7.225 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.808 5.763 -7.982 1.00 0.00 C ATOM 1247 C PRO A 80 -17.815 6.763 -7.426 1.00 0.00 C ATOM 1248 O PRO A 80 -18.943 6.854 -7.908 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.328 4.333 -7.817 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.722 3.853 -6.544 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.376 4.517 -6.450 1.00 0.00 C ATOM 0 HA PRO A 80 -16.657 6.060 -9.020 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.417 4.311 -7.770 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.032 3.705 -8.657 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.347 4.116 -5.691 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.623 2.768 -6.544 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.102 4.725 -5.416 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.589 3.890 -6.868 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.399 7.512 -6.409 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.266 8.506 -5.788 1.00 0.00 C ATOM 1261 C GLN A 81 -18.159 9.847 -6.506 1.00 0.00 C ATOM 1262 O GLN A 81 -19.149 10.561 -6.659 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.906 8.675 -4.311 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.949 7.377 -3.521 1.00 0.00 C ATOM 1265 CD GLN A 81 -19.334 6.762 -3.484 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -20.332 7.435 -3.746 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -19.404 5.477 -3.156 1.00 0.00 N ATOM 0 H GLN A 81 -16.467 7.449 -5.998 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.295 8.154 -5.867 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.906 9.103 -4.236 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.593 9.389 -3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -17.251 6.665 -3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.612 7.565 -2.502 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -18.552 4.957 -2.947 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.310 5.010 -3.114 1.00 0.00 H new ATOM 1276 N GLY A 82 -16.949 10.183 -6.946 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.735 11.437 -7.642 1.00 0.00 C ATOM 1278 C GLY A 82 -15.650 12.279 -7.001 1.00 0.00 C ATOM 1279 O GLY A 82 -15.747 13.505 -6.966 1.00 0.00 O ATOM 0 H GLY A 82 -16.114 9.608 -6.832 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.467 11.232 -8.678 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.667 12.003 -7.660 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.616 11.619 -6.491 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.509 12.315 -5.845 1.00 0.00 C ATOM 1285 C GLN A 83 -12.170 11.724 -6.273 1.00 0.00 C ATOM 1286 O GLN A 83 -12.025 10.507 -6.393 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.650 12.240 -4.324 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.694 13.192 -3.762 1.00 0.00 C ATOM 1289 CD GLN A 83 -16.069 12.562 -3.669 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -16.359 11.575 -4.346 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.926 13.130 -2.829 1.00 0.00 N ATOM 0 H GLN A 83 -14.521 10.604 -6.512 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.540 13.360 -6.155 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.911 11.220 -4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.685 12.461 -3.867 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.382 13.523 -2.771 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.747 14.080 -4.392 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.644 13.947 -2.287 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.867 12.749 -2.725 1.00 0.00 H new ATOM 1300 N THR A 84 -11.191 12.594 -6.503 1.00 0.00 N ATOM 1301 CA THR A 84 -9.864 12.159 -6.920 1.00 0.00 C ATOM 1302 C THR A 84 -8.776 12.980 -6.236 1.00 0.00 C ATOM 1303 O THR A 84 -8.916 14.190 -6.061 1.00 0.00 O ATOM 1304 CB THR A 84 -9.690 12.267 -8.446 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.636 13.644 -8.836 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.834 11.574 -9.172 1.00 0.00 C ATOM 0 H THR A 84 -11.293 13.604 -6.407 1.00 0.00 H new ATOM 0 HA THR A 84 -9.767 11.114 -6.625 1.00 0.00 H new ATOM 0 HB THR A 84 -8.756 11.775 -8.719 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.524 13.705 -9.808 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.689 11.664 -10.249 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.855 10.520 -8.895 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.778 12.041 -8.893 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.692 12.314 -5.852 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.580 12.983 -5.187 1.00 0.00 C ATOM 1316 C PHE A 85 -5.248 12.564 -5.802 1.00 0.00 C ATOM 1317 O PHE A 85 -5.196 11.685 -6.664 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.586 12.664 -3.691 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.955 12.370 -3.146 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.847 13.398 -2.887 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.349 11.066 -2.893 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.107 13.131 -2.386 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.608 10.793 -2.393 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.488 11.827 -2.138 1.00 0.00 C ATOM 0 H PHE A 85 -7.560 11.312 -5.990 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.701 14.058 -5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.939 11.806 -3.508 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.160 13.507 -3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.554 14.420 -3.079 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.665 10.254 -3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.793 13.941 -2.189 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.904 9.772 -2.202 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.472 11.616 -1.746 1.00 0.00 H new ATOM 1334 N THR A 86 -4.170 13.201 -5.355 1.00 0.00 N ATOM 1335 CA THR A 86 -2.837 12.898 -5.861 1.00 0.00 C ATOM 1336 C THR A 86 -1.934 12.372 -4.751 1.00 0.00 C ATOM 1337 O THR A 86 -1.745 13.029 -3.727 1.00 0.00 O ATOM 1338 CB THR A 86 -2.182 14.138 -6.497 1.00 0.00 C ATOM 1339 OG1 THR A 86 -2.986 14.615 -7.582 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.783 13.814 -6.999 1.00 0.00 C ATOM 0 H THR A 86 -4.194 13.931 -4.643 1.00 0.00 H new ATOM 0 HA THR A 86 -2.956 12.128 -6.624 1.00 0.00 H new ATOM 0 HB THR A 86 -2.106 14.913 -5.734 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.563 15.405 -7.980 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.341 14.705 -7.444 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.165 13.480 -6.165 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.839 13.024 -7.748 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.377 11.184 -4.961 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.491 10.571 -3.979 1.00 0.00 C ATOM 1350 C VAL A 87 0.972 10.829 -4.321 1.00 0.00 C ATOM 1351 O VAL A 87 1.373 10.739 -5.482 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.724 9.051 -3.884 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.976 8.753 -3.073 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.821 8.440 -5.273 1.00 0.00 C ATOM 0 H VAL A 87 -1.524 10.627 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.722 11.028 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 87 0.127 8.601 -3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.125 7.675 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.863 9.157 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.839 9.214 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.986 7.366 -5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.653 8.893 -5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.106 8.623 -5.816 1.00 0.00 H new ATOM 1364 N GLN A 88 1.765 11.149 -3.304 1.00 0.00 N ATOM 1365 CA GLN A 88 3.184 11.420 -3.498 1.00 0.00 C ATOM 1366 C GLN A 88 4.036 10.546 -2.582 1.00 0.00 C ATOM 1367 O GLN A 88 3.696 10.335 -1.418 1.00 0.00 O ATOM 1368 CB GLN A 88 3.484 12.897 -3.235 1.00 0.00 C ATOM 1369 CG GLN A 88 3.126 13.349 -1.829 1.00 0.00 C ATOM 1370 CD GLN A 88 3.019 14.857 -1.710 1.00 0.00 C ATOM 1371 OE1 GLN A 88 3.703 15.597 -2.418 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.156 15.320 -0.813 1.00 0.00 N ATOM 0 H GLN A 88 1.449 11.227 -2.337 1.00 0.00 H new ATOM 0 HA GLN A 88 3.434 11.184 -4.532 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.545 13.080 -3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.934 13.505 -3.954 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.178 12.897 -1.537 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.881 12.986 -1.132 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.610 14.670 -0.248 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.039 16.326 -0.689 1.00 0.00 H new ATOM 1381 N ARG A 89 5.142 10.040 -3.117 1.00 0.00 N ATOM 1382 CA ARG A 89 6.041 9.188 -2.348 1.00 0.00 C ATOM 1383 C ARG A 89 7.316 9.939 -1.975 1.00 0.00 C ATOM 1384 O ARG A 89 7.998 10.493 -2.838 1.00 0.00 O ATOM 1385 CB ARG A 89 6.392 7.930 -3.146 1.00 0.00 C ATOM 1386 CG ARG A 89 7.011 6.827 -2.303 1.00 0.00 C ATOM 1387 CD ARG A 89 7.390 5.624 -3.151 1.00 0.00 C ATOM 1388 NE ARG A 89 8.116 4.617 -2.381 1.00 0.00 N ATOM 1389 CZ ARG A 89 9.428 4.651 -2.179 1.00 0.00 C ATOM 1390 NH1 ARG A 89 10.155 5.636 -2.689 1.00 0.00 N ATOM 1391 NH2 ARG A 89 10.016 3.699 -1.467 1.00 0.00 N ATOM 0 H ARG A 89 5.437 10.205 -4.079 1.00 0.00 H new ATOM 0 HA ARG A 89 5.530 8.898 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.489 7.548 -3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.084 8.198 -3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 89 7.897 7.209 -1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.307 6.521 -1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.488 5.178 -3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.004 5.951 -3.990 1.00 0.00 H new ATOM 0 HE ARG A 89 7.586 3.845 -1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.706 6.370 -3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.163 5.660 -2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.460 2.939 -1.074 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.024 3.726 -1.313 1.00 0.00 H new ATOM 1405 N LEU A 90 7.632 9.953 -0.685 1.00 0.00 N ATOM 1406 CA LEU A 90 8.825 10.636 -0.197 1.00 0.00 C ATOM 1407 C LEU A 90 9.723 9.677 0.579 1.00 0.00 C ATOM 1408 O LEU A 90 9.243 8.860 1.365 1.00 0.00 O ATOM 1409 CB LEU A 90 8.432 11.817 0.693 1.00 0.00 C ATOM 1410 CG LEU A 90 7.154 12.559 0.298 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.944 11.934 0.975 1.00 0.00 C ATOM 1412 CD2 LEU A 90 7.264 14.034 0.652 1.00 0.00 C ATOM 0 H LEU A 90 7.079 9.499 0.042 1.00 0.00 H new ATOM 0 HA LEU A 90 9.380 11.007 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.317 11.454 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.256 12.531 0.700 1.00 0.00 H new ATOM 0 HG LEU A 90 7.025 12.474 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.044 12.475 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.856 10.891 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.064 11.988 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.346 14.547 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.417 14.140 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.108 14.474 0.120 1.00 0.00 H new