USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=18 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 66 GLN : amide:sc= -0.284 K(o=-3.2,f=-0.61) USER MOD Set 1.2: A 81 GLN : amide:sc= -2.92 K(o=-3.2,f=-0.6) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 64 HIS : no HE2:sc= -5.13! K(o=-5.1!,f=-2.4) USER MOD Single : A 30 GLN : amide:sc= -0.0631 K(o=-0.063,f=-1.7!) USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= -0.0655 (180deg=-0.399) USER MOD Single : A 35 ASN : amide:sc= -0.457 K(o=-0.46,f=-2.4) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) 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 152:sc= -0.163 (180deg=-0.705) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.3 K(o=0.3,f=-2.6!) USER MOD Single : A 46 MET CE :methyl -150:sc= 0 (180deg=-0.642) 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+ -165:sc=-0.00129 (180deg=-0.126) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= 0.222 (180deg=0.169) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 170:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.5! C(o=-2.5!,f=-4.8!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -3.12! C(o=-3.1!,f=-5.1!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -2.79! C(o=-2.8!,f=-8.9!) 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= -1.68 X(o=-1.7,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 397 N GLU A 28 7.124 7.849 3.532 1.00 0.00 N ATOM 398 CA GLU A 28 6.010 8.732 3.857 1.00 0.00 C ATOM 399 C GLU A 28 5.112 8.944 2.642 1.00 0.00 C ATOM 400 O GLU A 28 5.544 9.488 1.625 1.00 0.00 O ATOM 401 CB GLU A 28 6.529 10.079 4.363 1.00 0.00 C ATOM 402 CG GLU A 28 5.493 10.879 5.136 1.00 0.00 C ATOM 403 CD GLU A 28 6.114 11.765 6.199 1.00 0.00 C ATOM 404 OE1 GLU A 28 6.840 11.233 7.064 1.00 0.00 O ATOM 405 OE2 GLU A 28 5.873 12.990 6.164 1.00 0.00 O ATOM 0 HA GLU A 28 5.422 8.259 4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.395 9.908 5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.872 10.669 3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.924 11.496 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.787 10.194 5.606 1.00 0.00 H new ATOM 412 N TRP A 29 3.862 8.510 2.754 1.00 0.00 N ATOM 413 CA TRP A 29 2.902 8.652 1.665 1.00 0.00 C ATOM 414 C TRP A 29 1.823 9.670 2.018 1.00 0.00 C ATOM 415 O TRP A 29 1.115 9.515 3.013 1.00 0.00 O ATOM 416 CB TRP A 29 2.261 7.301 1.344 1.00 0.00 C ATOM 417 CG TRP A 29 3.171 6.374 0.597 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.186 5.625 1.120 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.150 6.100 -0.808 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.797 4.901 0.124 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.180 5.174 -1.068 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.360 6.544 -1.872 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.439 4.688 -2.347 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.619 6.061 -3.141 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.650 5.141 -3.369 1.00 0.00 C ATOM 0 H TRP A 29 3.489 8.057 3.588 1.00 0.00 H new ATOM 0 HA TRP A 29 3.438 9.010 0.786 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.952 6.824 2.274 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.359 7.466 0.755 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.467 5.604 2.163 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.583 4.263 0.252 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.561 7.252 -1.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.234 3.979 -2.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.016 6.399 -3.971 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.826 4.782 -4.372 1.00 0.00 H new ATOM 436 N GLN A 30 1.705 10.709 1.198 1.00 0.00 N ATOM 437 CA GLN A 30 0.711 11.752 1.426 1.00 0.00 C ATOM 438 C GLN A 30 -0.177 11.934 0.200 1.00 0.00 C ATOM 439 O GLN A 30 0.262 11.735 -0.933 1.00 0.00 O ATOM 440 CB GLN A 30 1.399 13.073 1.774 1.00 0.00 C ATOM 441 CG GLN A 30 2.407 12.955 2.906 1.00 0.00 C ATOM 442 CD GLN A 30 2.864 14.304 3.423 1.00 0.00 C ATOM 443 OE1 GLN A 30 2.104 15.025 4.070 1.00 0.00 O ATOM 444 NE2 GLN A 30 4.114 14.654 3.140 1.00 0.00 N ATOM 0 H GLN A 30 2.284 10.851 0.371 1.00 0.00 H new ATOM 0 HA GLN A 30 0.084 11.446 2.263 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.905 13.454 0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.641 13.806 2.049 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.964 12.388 3.724 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.273 12.391 2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.710 14.026 2.601 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.478 15.551 3.462 1.00 0.00 H new ATOM 453 N TYR A 31 -1.429 12.314 0.434 1.00 0.00 N ATOM 454 CA TYR A 31 -2.380 12.521 -0.651 1.00 0.00 C ATOM 455 C TYR A 31 -2.855 13.971 -0.690 1.00 0.00 C ATOM 456 O TYR A 31 -2.995 14.618 0.348 1.00 0.00 O ATOM 457 CB TYR A 31 -3.579 11.584 -0.492 1.00 0.00 C ATOM 458 CG TYR A 31 -4.429 11.889 0.720 1.00 0.00 C ATOM 459 CD1 TYR A 31 -3.989 11.572 2.000 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.673 12.493 0.587 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.762 11.849 3.110 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.453 12.775 1.692 1.00 0.00 C ATOM 463 CZ TYR A 31 -5.993 12.450 2.952 1.00 0.00 C ATOM 464 OH TYR A 31 -6.768 12.727 4.055 1.00 0.00 O ATOM 0 H TYR A 31 -1.808 12.485 1.365 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.875 12.298 -1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.200 11.647 -1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.220 10.557 -0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.026 11.101 2.128 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.037 12.747 -0.398 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.404 11.596 4.097 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.417 13.247 1.571 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.604 13.151 3.769 1.00 0.00 H new ATOM 474 N ILE A 32 -3.101 14.473 -1.895 1.00 0.00 N ATOM 475 CA ILE A 32 -3.562 15.845 -2.071 1.00 0.00 C ATOM 476 C ILE A 32 -5.071 15.895 -2.284 1.00 0.00 C ATOM 477 O ILE A 32 -5.569 15.545 -3.354 1.00 0.00 O ATOM 478 CB ILE A 32 -2.864 16.525 -3.263 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.439 16.933 -2.883 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.662 17.735 -3.724 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.404 15.874 -3.193 1.00 0.00 C ATOM 0 H ILE A 32 -2.989 13.951 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.308 16.382 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.810 15.814 -4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.179 17.850 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.407 17.160 -1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.156 18.205 -4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.659 17.418 -4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.744 18.450 -2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.582 16.232 -2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.640 14.963 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.408 15.663 -4.262 1.00 0.00 H new ATOM 493 N ASP A 33 -5.794 16.333 -1.259 1.00 0.00 N ATOM 494 CA ASP A 33 -7.247 16.432 -1.335 1.00 0.00 C ATOM 495 C ASP A 33 -7.666 17.613 -2.206 1.00 0.00 C ATOM 496 O ASP A 33 -6.848 18.465 -2.552 1.00 0.00 O ATOM 497 CB ASP A 33 -7.843 16.578 0.066 1.00 0.00 C ATOM 498 CG ASP A 33 -9.349 16.752 0.039 1.00 0.00 C ATOM 499 OD1 ASP A 33 -10.065 15.729 0.068 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.811 17.911 -0.009 1.00 0.00 O ATOM 0 H ASP A 33 -5.398 16.625 -0.366 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.626 15.517 -1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.592 15.698 0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.390 17.436 0.563 1.00 0.00 H new ATOM 505 N LYS A 34 -8.947 17.656 -2.557 1.00 0.00 N ATOM 506 CA LYS A 34 -9.477 18.731 -3.387 1.00 0.00 C ATOM 507 C LYS A 34 -8.662 20.008 -3.209 1.00 0.00 C ATOM 508 O LYS A 34 -7.883 20.385 -4.084 1.00 0.00 O ATOM 509 CB LYS A 34 -10.943 18.997 -3.038 1.00 0.00 C ATOM 510 CG LYS A 34 -11.840 17.784 -3.213 1.00 0.00 C ATOM 511 CD LYS A 34 -13.230 18.032 -2.654 1.00 0.00 C ATOM 512 CE LYS A 34 -14.159 18.616 -3.707 1.00 0.00 C ATOM 513 NZ LYS A 34 -14.468 17.632 -4.781 1.00 0.00 N ATOM 0 H LYS A 34 -9.637 16.958 -2.279 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.408 18.419 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.006 19.338 -2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.316 19.807 -3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.912 17.534 -4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.393 16.925 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.645 17.096 -2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.166 18.714 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.086 18.940 -3.234 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.699 19.501 -4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.371 17.883 -5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.709 17.645 -5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.540 16.680 -4.369 1.00 0.00 H new ATOM 527 N ASN A 35 -8.845 20.668 -2.071 1.00 0.00 N ATOM 528 CA ASN A 35 -8.125 21.903 -1.778 1.00 0.00 C ATOM 529 C ASN A 35 -7.326 21.773 -0.485 1.00 0.00 C ATOM 530 O ASN A 35 -6.937 22.773 0.119 1.00 0.00 O ATOM 531 CB ASN A 35 -9.103 23.075 -1.670 1.00 0.00 C ATOM 532 CG ASN A 35 -8.401 24.418 -1.707 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.188 24.493 -1.902 1.00 0.00 O ATOM 534 ND2 ASN A 35 -9.164 25.489 -1.518 1.00 0.00 N ATOM 0 H ASN A 35 -9.486 20.369 -1.336 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.430 22.092 -2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.822 23.021 -2.487 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.668 22.989 -0.742 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.748 26.420 -1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.166 25.380 -1.360 1.00 0.00 H new ATOM 541 N ILE A 36 -7.084 20.535 -0.068 1.00 0.00 N ATOM 542 CA ILE A 36 -6.329 20.275 1.152 1.00 0.00 C ATOM 543 C ILE A 36 -5.251 19.222 0.917 1.00 0.00 C ATOM 544 O ILE A 36 -5.429 18.302 0.118 1.00 0.00 O ATOM 545 CB ILE A 36 -7.249 19.805 2.294 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.503 20.679 2.360 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.505 19.835 3.620 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.634 20.179 1.488 1.00 0.00 C ATOM 0 H ILE A 36 -7.399 19.697 -0.556 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.859 21.216 1.439 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.555 18.778 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.847 20.730 3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.245 21.694 2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.169 19.500 4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.640 19.174 3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.173 20.852 3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.490 20.847 1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.308 20.154 0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.919 19.175 1.803 1.00 0.00 H new ATOM 560 N THR A 37 -4.131 19.362 1.620 1.00 0.00 N ATOM 561 CA THR A 37 -3.024 18.424 1.489 1.00 0.00 C ATOM 562 C THR A 37 -2.766 17.691 2.801 1.00 0.00 C ATOM 563 O THR A 37 -2.095 18.212 3.691 1.00 0.00 O ATOM 564 CB THR A 37 -1.731 19.138 1.051 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.987 19.954 -0.098 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.638 18.129 0.729 1.00 0.00 C ATOM 0 H THR A 37 -3.967 20.117 2.286 1.00 0.00 H new ATOM 0 HA THR A 37 -3.310 17.703 0.723 1.00 0.00 H new ATOM 0 HB THR A 37 -1.392 19.767 1.875 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.161 20.406 -0.369 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.265 18.656 0.422 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.425 17.529 1.614 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.970 17.478 -0.080 1.00 0.00 H new ATOM 574 N GLN A 38 -3.303 16.480 2.912 1.00 0.00 N ATOM 575 CA GLN A 38 -3.130 15.676 4.116 1.00 0.00 C ATOM 576 C GLN A 38 -2.278 14.444 3.830 1.00 0.00 C ATOM 577 O GLN A 38 -1.840 14.229 2.700 1.00 0.00 O ATOM 578 CB GLN A 38 -4.491 15.252 4.671 1.00 0.00 C ATOM 579 CG GLN A 38 -5.335 16.415 5.169 1.00 0.00 C ATOM 580 CD GLN A 38 -4.893 16.916 6.530 1.00 0.00 C ATOM 581 OE1 GLN A 38 -5.339 16.416 7.563 1.00 0.00 O ATOM 582 NE2 GLN A 38 -4.011 17.909 6.538 1.00 0.00 N ATOM 0 H GLN A 38 -3.861 16.035 2.183 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.616 16.286 4.859 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.041 14.721 3.894 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.337 14.549 5.490 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.281 17.232 4.450 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.379 16.105 5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.668 18.293 5.658 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.677 18.287 7.424 1.00 0.00 H new ATOM 591 N CYS A 39 -2.047 13.639 4.861 1.00 0.00 N ATOM 592 CA CYS A 39 -1.246 12.429 4.722 1.00 0.00 C ATOM 593 C CYS A 39 -2.033 11.201 5.166 1.00 0.00 C ATOM 594 O CYS A 39 -2.969 11.304 5.960 1.00 0.00 O ATOM 595 CB CYS A 39 0.042 12.547 5.538 1.00 0.00 C ATOM 596 SG CYS A 39 -0.221 12.603 7.326 1.00 0.00 S ATOM 0 H CYS A 39 -2.403 13.803 5.803 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.990 12.313 3.669 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.688 11.701 5.303 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.573 13.448 5.231 1.00 0.00 H new ATOM 0 HG CYS A 39 0.926 12.701 7.930 1.00 0.00 H new ATOM 602 N PHE A 40 -1.650 10.038 4.649 1.00 0.00 N ATOM 603 CA PHE A 40 -2.322 8.790 4.990 1.00 0.00 C ATOM 604 C PHE A 40 -2.001 8.374 6.423 1.00 0.00 C ATOM 605 O PHE A 40 -1.187 9.006 7.097 1.00 0.00 O ATOM 606 CB PHE A 40 -1.909 7.682 4.021 1.00 0.00 C ATOM 607 CG PHE A 40 -2.426 7.883 2.625 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.718 7.511 2.291 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.620 8.444 1.647 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.196 7.694 1.007 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.093 8.630 0.362 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.383 8.255 0.041 1.00 0.00 C ATOM 0 H PHE A 40 -0.877 9.934 3.992 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.397 8.951 4.909 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.821 7.623 3.992 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.270 6.726 4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.359 7.073 3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.610 8.739 1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.205 7.399 0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.454 9.068 -0.391 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.755 8.400 -0.962 1.00 0.00 H new ATOM 622 N ASP A 41 -2.646 7.307 6.881 1.00 0.00 N ATOM 623 CA ASP A 41 -2.430 6.805 8.233 1.00 0.00 C ATOM 624 C ASP A 41 -1.176 5.938 8.297 1.00 0.00 C ATOM 625 O ASP A 41 -0.505 5.723 7.288 1.00 0.00 O ATOM 626 CB ASP A 41 -3.645 6.003 8.703 1.00 0.00 C ATOM 627 CG ASP A 41 -4.905 6.843 8.763 1.00 0.00 C ATOM 628 OD1 ASP A 41 -4.798 8.056 9.042 1.00 0.00 O ATOM 629 OD2 ASP A 41 -5.999 6.288 8.532 1.00 0.00 O ATOM 0 H ASP A 41 -3.323 6.773 6.336 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.292 7.661 8.894 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.804 5.162 8.028 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.442 5.586 9.690 1.00 0.00 H new ATOM 634 N LYS A 42 -0.866 5.443 9.490 1.00 0.00 N ATOM 635 CA LYS A 42 0.307 4.599 9.687 1.00 0.00 C ATOM 636 C LYS A 42 0.120 3.243 9.016 1.00 0.00 C ATOM 637 O LYS A 42 1.070 2.664 8.489 1.00 0.00 O ATOM 638 CB LYS A 42 0.578 4.408 11.181 1.00 0.00 C ATOM 639 CG LYS A 42 -0.507 3.625 11.901 1.00 0.00 C ATOM 640 CD LYS A 42 -0.528 3.938 13.388 1.00 0.00 C ATOM 641 CE LYS A 42 0.409 3.023 14.162 1.00 0.00 C ATOM 642 NZ LYS A 42 -0.020 2.861 15.579 1.00 0.00 N ATOM 0 H LYS A 42 -1.411 5.612 10.336 1.00 0.00 H new ATOM 0 HA LYS A 42 1.162 5.096 9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.530 3.892 11.306 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.681 5.386 11.651 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.478 3.861 11.465 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.344 2.557 11.755 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.238 4.977 13.547 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.543 3.829 13.770 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.444 2.046 13.679 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.420 3.429 14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.644 2.231 16.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.029 3.790 16.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.975 2.449 15.608 1.00 0.00 H new ATOM 656 N MET A 43 -1.111 2.742 9.037 1.00 0.00 N ATOM 657 CA MET A 43 -1.422 1.454 8.428 1.00 0.00 C ATOM 658 C MET A 43 -1.474 1.570 6.908 1.00 0.00 C ATOM 659 O MET A 43 -0.891 0.756 6.191 1.00 0.00 O ATOM 660 CB MET A 43 -2.756 0.924 8.956 1.00 0.00 C ATOM 661 CG MET A 43 -2.768 0.699 10.460 1.00 0.00 C ATOM 662 SD MET A 43 -3.885 -0.627 10.955 1.00 0.00 S ATOM 663 CE MET A 43 -3.059 -2.048 10.245 1.00 0.00 C ATOM 0 H MET A 43 -1.909 3.208 9.469 1.00 0.00 H new ATOM 0 HA MET A 43 -0.630 0.754 8.695 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.546 1.628 8.696 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.989 -0.015 8.454 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.758 0.463 10.796 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.062 1.622 10.959 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.294 -2.936 10.832 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.398 -2.191 9.219 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.982 -1.883 10.251 1.00 0.00 H new ATOM 673 N THR A 44 -2.177 2.588 6.420 1.00 0.00 N ATOM 674 CA THR A 44 -2.306 2.810 4.986 1.00 0.00 C ATOM 675 C THR A 44 -0.982 3.255 4.376 1.00 0.00 C ATOM 676 O THR A 44 -0.635 2.858 3.265 1.00 0.00 O ATOM 677 CB THR A 44 -3.382 3.868 4.676 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.659 3.421 5.144 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.453 4.146 3.182 1.00 0.00 C ATOM 0 H THR A 44 -2.666 3.272 6.998 1.00 0.00 H new ATOM 0 HA THR A 44 -2.604 1.859 4.545 1.00 0.00 H new ATOM 0 HB THR A 44 -3.111 4.791 5.189 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.337 4.100 4.944 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.220 4.896 2.988 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.488 4.515 2.834 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.702 3.227 2.652 1.00 0.00 H new ATOM 687 N ASN A 45 -0.245 4.080 5.112 1.00 0.00 N ATOM 688 CA ASN A 45 1.043 4.579 4.644 1.00 0.00 C ATOM 689 C ASN A 45 1.836 3.474 3.952 1.00 0.00 C ATOM 690 O ASN A 45 2.393 3.678 2.874 1.00 0.00 O ATOM 691 CB ASN A 45 1.851 5.146 5.813 1.00 0.00 C ATOM 692 CG ASN A 45 3.306 5.376 5.454 1.00 0.00 C ATOM 693 OD1 ASN A 45 3.632 6.285 4.690 1.00 0.00 O ATOM 694 ND2 ASN A 45 4.189 4.550 6.004 1.00 0.00 N ATOM 0 H ASN A 45 -0.518 4.417 6.035 1.00 0.00 H new ATOM 0 HA ASN A 45 0.855 5.374 3.922 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.406 6.087 6.135 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.792 4.460 6.658 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.183 4.655 5.799 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.873 3.811 6.632 1.00 0.00 H new ATOM 701 N MET A 46 1.880 2.304 4.580 1.00 0.00 N ATOM 702 CA MET A 46 2.602 1.165 4.025 1.00 0.00 C ATOM 703 C MET A 46 1.797 0.500 2.913 1.00 0.00 C ATOM 704 O MET A 46 2.354 0.053 1.910 1.00 0.00 O ATOM 705 CB MET A 46 2.915 0.147 5.123 1.00 0.00 C ATOM 706 CG MET A 46 1.812 -0.878 5.333 1.00 0.00 C ATOM 707 SD MET A 46 2.157 -1.997 6.705 1.00 0.00 S ATOM 708 CE MET A 46 1.603 -1.010 8.094 1.00 0.00 C ATOM 0 H MET A 46 1.424 2.120 5.474 1.00 0.00 H new ATOM 0 HA MET A 46 3.538 1.531 3.603 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.840 -0.373 4.873 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.091 0.677 6.059 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.871 -0.361 5.519 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.682 -1.458 4.420 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.188 -1.265 8.978 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.735 0.047 7.865 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.549 -1.211 8.286 1.00 0.00 H new ATOM 718 N LYS A 47 0.482 0.438 3.097 1.00 0.00 N ATOM 719 CA LYS A 47 -0.401 -0.171 2.110 1.00 0.00 C ATOM 720 C LYS A 47 -0.112 0.370 0.713 1.00 0.00 C ATOM 721 O LYS A 47 -0.326 -0.317 -0.287 1.00 0.00 O ATOM 722 CB LYS A 47 -1.864 0.088 2.475 1.00 0.00 C ATOM 723 CG LYS A 47 -2.374 -0.792 3.604 1.00 0.00 C ATOM 724 CD LYS A 47 -3.888 -0.917 3.574 1.00 0.00 C ATOM 725 CE LYS A 47 -4.411 -1.647 4.800 1.00 0.00 C ATOM 726 NZ LYS A 47 -5.870 -1.930 4.697 1.00 0.00 N ATOM 0 H LYS A 47 0.005 0.803 3.921 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.217 -1.245 2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.979 1.134 2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.484 -0.072 1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.925 -1.782 3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.061 -0.375 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.335 0.076 3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.192 -1.451 2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.867 -2.584 4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.219 -1.047 5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.188 -2.429 5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.391 -1.035 4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.050 -2.524 3.863 1.00 0.00 H new ATOM 740 N LEU A 48 0.377 1.604 0.651 1.00 0.00 N ATOM 741 CA LEU A 48 0.698 2.237 -0.623 1.00 0.00 C ATOM 742 C LEU A 48 2.110 1.875 -1.071 1.00 0.00 C ATOM 743 O LEU A 48 2.314 1.398 -2.187 1.00 0.00 O ATOM 744 CB LEU A 48 0.559 3.756 -0.510 1.00 0.00 C ATOM 745 CG LEU A 48 -0.848 4.283 -0.226 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.816 5.783 0.022 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.784 3.951 -1.378 1.00 0.00 C ATOM 0 H LEU A 48 0.560 2.186 1.469 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.005 1.869 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.222 4.103 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.912 4.203 -1.439 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.224 3.795 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.826 6.140 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.179 5.996 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.420 6.289 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.781 4.334 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.412 4.411 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.831 2.870 -1.509 1.00 0.00 H new ATOM 759 N GLU A 49 3.081 2.104 -0.192 1.00 0.00 N ATOM 760 CA GLU A 49 4.474 1.800 -0.497 1.00 0.00 C ATOM 761 C GLU A 49 4.622 0.364 -0.992 1.00 0.00 C ATOM 762 O GLU A 49 5.316 0.103 -1.974 1.00 0.00 O ATOM 763 CB GLU A 49 5.349 2.018 0.739 1.00 0.00 C ATOM 764 CG GLU A 49 5.450 0.797 1.637 1.00 0.00 C ATOM 765 CD GLU A 49 6.461 0.975 2.753 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.675 0.948 2.463 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.038 1.141 3.916 1.00 0.00 O ATOM 0 H GLU A 49 2.929 2.499 0.736 1.00 0.00 H new ATOM 0 HA GLU A 49 4.801 2.474 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.350 2.307 0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.947 2.851 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.472 0.586 2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.727 -0.069 1.036 1.00 0.00 H new ATOM 774 N VAL A 50 3.965 -0.564 -0.303 1.00 0.00 N ATOM 775 CA VAL A 50 4.023 -1.973 -0.671 1.00 0.00 C ATOM 776 C VAL A 50 3.676 -2.171 -2.143 1.00 0.00 C ATOM 777 O VAL A 50 4.369 -2.889 -2.863 1.00 0.00 O ATOM 778 CB VAL A 50 3.064 -2.818 0.189 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.482 -2.777 1.651 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.632 -2.332 0.022 1.00 0.00 C ATOM 0 H VAL A 50 3.386 -0.365 0.513 1.00 0.00 H new ATOM 0 HA VAL A 50 5.046 -2.305 -0.494 1.00 0.00 H new ATOM 0 HB VAL A 50 3.115 -3.853 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.793 -3.379 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.492 -3.175 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.461 -1.747 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.968 -2.940 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.563 -1.290 0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.338 -2.418 -1.024 1.00 0.00 H new ATOM 790 N ALA A 51 2.599 -1.529 -2.583 1.00 0.00 N ATOM 791 CA ALA A 51 2.161 -1.633 -3.969 1.00 0.00 C ATOM 792 C ALA A 51 3.185 -1.015 -4.915 1.00 0.00 C ATOM 793 O ALA A 51 3.320 -1.441 -6.063 1.00 0.00 O ATOM 794 CB ALA A 51 0.805 -0.965 -4.146 1.00 0.00 C ATOM 0 H ALA A 51 2.014 -0.931 -1.999 1.00 0.00 H new ATOM 0 HA ALA A 51 2.067 -2.690 -4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.490 -1.050 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.072 -1.454 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.880 0.088 -3.875 1.00 0.00 H new ATOM 800 N TRP A 52 3.902 -0.009 -4.428 1.00 0.00 N ATOM 801 CA TRP A 52 4.914 0.668 -5.232 1.00 0.00 C ATOM 802 C TRP A 52 6.145 -0.213 -5.413 1.00 0.00 C ATOM 803 O TRP A 52 6.750 -0.239 -6.484 1.00 0.00 O ATOM 804 CB TRP A 52 5.311 1.993 -4.578 1.00 0.00 C ATOM 805 CG TRP A 52 6.201 2.836 -5.440 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.864 3.996 -6.077 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.574 2.585 -5.759 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.945 4.481 -6.774 1.00 0.00 N ATOM 809 CE2 TRP A 52 8.006 3.634 -6.594 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.480 1.577 -5.420 1.00 0.00 C ATOM 811 CZ2 TRP A 52 9.304 3.700 -7.094 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.768 1.644 -5.917 1.00 0.00 C ATOM 813 CH2 TRP A 52 10.170 2.700 -6.746 1.00 0.00 C ATOM 0 H TRP A 52 3.802 0.356 -3.481 1.00 0.00 H new ATOM 0 HA TRP A 52 4.487 0.869 -6.215 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.409 2.556 -4.338 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.818 1.787 -3.635 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.891 4.464 -6.039 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.955 5.333 -7.334 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.179 0.760 -4.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.616 4.512 -7.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.476 0.870 -5.662 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.184 2.725 -7.118 1.00 0.00 H new ATOM 824 N LYS A 53 6.510 -0.935 -4.359 1.00 0.00 N ATOM 825 CA LYS A 53 7.669 -1.820 -4.402 1.00 0.00 C ATOM 826 C LYS A 53 7.328 -3.129 -5.107 1.00 0.00 C ATOM 827 O LYS A 53 8.184 -3.743 -5.742 1.00 0.00 O ATOM 828 CB LYS A 53 8.169 -2.107 -2.984 1.00 0.00 C ATOM 829 CG LYS A 53 8.685 -0.875 -2.260 1.00 0.00 C ATOM 830 CD LYS A 53 10.149 -0.615 -2.575 1.00 0.00 C ATOM 831 CE LYS A 53 11.056 -1.612 -1.871 1.00 0.00 C ATOM 832 NZ LYS A 53 11.331 -1.213 -0.463 1.00 0.00 N ATOM 0 H LYS A 53 6.020 -0.925 -3.464 1.00 0.00 H new ATOM 0 HA LYS A 53 8.457 -1.320 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.358 -2.546 -2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.965 -2.850 -3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.091 -0.008 -2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.561 -1.005 -1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.307 -0.675 -3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.414 0.398 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.592 -2.598 -1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.997 -1.695 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.953 -1.918 -0.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.797 -0.283 -0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.436 -1.159 0.064 1.00 0.00 H new ATOM 846 N ALA A 54 6.073 -3.549 -4.991 1.00 0.00 N ATOM 847 CA ALA A 54 5.619 -4.783 -5.620 1.00 0.00 C ATOM 848 C ALA A 54 5.306 -4.563 -7.096 1.00 0.00 C ATOM 849 O ALA A 54 4.637 -5.381 -7.729 1.00 0.00 O ATOM 850 CB ALA A 54 4.397 -5.326 -4.895 1.00 0.00 C ATOM 0 H ALA A 54 5.352 -3.053 -4.467 1.00 0.00 H new ATOM 0 HA ALA A 54 6.424 -5.515 -5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.069 -6.248 -5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.652 -5.530 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.594 -4.590 -4.934 1.00 0.00 H new ATOM 856 N LYS A 55 5.794 -3.454 -7.641 1.00 0.00 N ATOM 857 CA LYS A 55 5.568 -3.126 -9.044 1.00 0.00 C ATOM 858 C LYS A 55 4.100 -3.306 -9.415 1.00 0.00 C ATOM 859 O LYS A 55 3.777 -3.795 -10.498 1.00 0.00 O ATOM 860 CB LYS A 55 6.443 -4.004 -9.942 1.00 0.00 C ATOM 861 CG LYS A 55 7.927 -3.697 -9.832 1.00 0.00 C ATOM 862 CD LYS A 55 8.734 -4.471 -10.861 1.00 0.00 C ATOM 863 CE LYS A 55 8.935 -5.918 -10.438 1.00 0.00 C ATOM 864 NZ LYS A 55 9.904 -6.038 -9.314 1.00 0.00 N ATOM 0 H LYS A 55 6.349 -2.766 -7.132 1.00 0.00 H new ATOM 0 HA LYS A 55 5.837 -2.081 -9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.277 -5.050 -9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.130 -3.876 -10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.090 -2.628 -9.970 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.278 -3.946 -8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.224 -4.440 -11.824 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.704 -3.993 -10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.978 -6.345 -10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.292 -6.499 -11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.208 -7.028 -9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.732 -5.438 -9.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.450 -5.731 -8.430 1.00 0.00 H new ATOM 878 N LYS A 56 3.212 -2.908 -8.510 1.00 0.00 N ATOM 879 CA LYS A 56 1.777 -3.023 -8.742 1.00 0.00 C ATOM 880 C LYS A 56 1.268 -1.860 -9.588 1.00 0.00 C ATOM 881 O LYS A 56 1.920 -0.820 -9.688 1.00 0.00 O ATOM 882 CB LYS A 56 1.026 -3.065 -7.409 1.00 0.00 C ATOM 883 CG LYS A 56 1.359 -4.280 -6.561 1.00 0.00 C ATOM 884 CD LYS A 56 0.430 -5.444 -6.865 1.00 0.00 C ATOM 885 CE LYS A 56 1.038 -6.769 -6.433 1.00 0.00 C ATOM 886 NZ LYS A 56 2.156 -7.183 -7.326 1.00 0.00 N ATOM 0 H LYS A 56 3.461 -2.502 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 56 1.595 -3.951 -9.284 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.257 -2.163 -6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.046 -3.052 -7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.391 -4.580 -6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.284 -4.020 -5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.521 -5.295 -6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.217 -5.471 -7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.403 -6.685 -5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.267 -7.540 -6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.443 -8.156 -7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.843 -7.141 -8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.964 -6.542 -7.191 1.00 0.00 H new ATOM 900 N LYS A 57 0.100 -2.042 -10.194 1.00 0.00 N ATOM 901 CA LYS A 57 -0.498 -1.007 -11.029 1.00 0.00 C ATOM 902 C LYS A 57 -1.292 -0.017 -10.184 1.00 0.00 C ATOM 903 O LYS A 57 -1.318 1.180 -10.473 1.00 0.00 O ATOM 904 CB LYS A 57 -1.410 -1.639 -12.084 1.00 0.00 C ATOM 905 CG LYS A 57 -1.792 -0.688 -13.205 1.00 0.00 C ATOM 906 CD LYS A 57 -0.631 -0.454 -14.158 1.00 0.00 C ATOM 907 CE LYS A 57 -0.924 0.683 -15.125 1.00 0.00 C ATOM 908 NZ LYS A 57 -1.941 0.297 -16.142 1.00 0.00 N ATOM 0 H LYS A 57 -0.452 -2.897 -10.123 1.00 0.00 H new ATOM 0 HA LYS A 57 0.307 -0.468 -11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.910 -2.508 -12.511 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.317 -1.999 -11.599 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.640 -1.095 -13.756 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.114 0.264 -12.782 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.269 -0.225 -13.587 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.429 -1.367 -14.718 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.278 1.551 -14.569 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.003 0.980 -15.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.113 1.098 -16.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.593 -0.515 -16.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.828 0.038 -15.665 1.00 0.00 H new ATOM 922 N ASP A 58 -1.936 -0.522 -9.138 1.00 0.00 N ATOM 923 CA ASP A 58 -2.729 0.319 -8.248 1.00 0.00 C ATOM 924 C ASP A 58 -3.100 -0.435 -6.975 1.00 0.00 C ATOM 925 O ASP A 58 -3.139 -1.666 -6.958 1.00 0.00 O ATOM 926 CB ASP A 58 -3.995 0.798 -8.959 1.00 0.00 C ATOM 927 CG ASP A 58 -4.765 -0.339 -9.600 1.00 0.00 C ATOM 928 OD1 ASP A 58 -4.840 -1.424 -8.987 1.00 0.00 O ATOM 929 OD2 ASP A 58 -5.293 -0.145 -10.716 1.00 0.00 O ATOM 0 H ASP A 58 -1.925 -1.510 -8.885 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.126 1.185 -7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.638 1.310 -8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.725 1.526 -9.724 1.00 0.00 H new ATOM 934 N THR A 59 -3.370 0.312 -5.908 1.00 0.00 N ATOM 935 CA THR A 59 -3.735 -0.285 -4.630 1.00 0.00 C ATOM 936 C THR A 59 -4.956 0.403 -4.031 1.00 0.00 C ATOM 937 O THR A 59 -5.044 1.631 -4.017 1.00 0.00 O ATOM 938 CB THR A 59 -2.572 -0.212 -3.623 1.00 0.00 C ATOM 939 OG1 THR A 59 -2.993 -0.716 -2.351 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.079 1.219 -3.469 1.00 0.00 C ATOM 0 H THR A 59 -3.342 1.332 -5.905 1.00 0.00 H new ATOM 0 HA THR A 59 -3.971 -1.331 -4.825 1.00 0.00 H new ATOM 0 HB THR A 59 -1.753 -0.823 -4.002 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.214 -0.818 -1.765 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.258 1.246 -2.753 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.732 1.590 -4.433 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.894 1.848 -3.110 1.00 0.00 H new ATOM 948 N VAL A 60 -5.896 -0.395 -3.535 1.00 0.00 N ATOM 949 CA VAL A 60 -7.112 0.138 -2.932 1.00 0.00 C ATOM 950 C VAL A 60 -6.889 0.488 -1.465 1.00 0.00 C ATOM 951 O VAL A 60 -6.294 -0.285 -0.714 1.00 0.00 O ATOM 952 CB VAL A 60 -8.277 -0.864 -3.038 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.349 -0.548 -2.006 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.859 -0.856 -4.444 1.00 0.00 C ATOM 0 H VAL A 60 -5.839 -1.413 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.369 1.042 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.894 -1.864 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.164 -1.266 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.920 -0.609 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.732 0.458 -2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.681 -1.570 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.228 0.142 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.086 -1.135 -5.160 1.00 0.00 H new ATOM 964 N VAL A 61 -7.372 1.659 -1.062 1.00 0.00 N ATOM 965 CA VAL A 61 -7.228 2.112 0.317 1.00 0.00 C ATOM 966 C VAL A 61 -8.482 2.838 0.791 1.00 0.00 C ATOM 967 O VAL A 61 -9.098 3.590 0.036 1.00 0.00 O ATOM 968 CB VAL A 61 -6.015 3.048 0.476 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.727 2.318 0.128 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.184 4.289 -0.388 1.00 0.00 C ATOM 0 H VAL A 61 -7.866 2.311 -1.671 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.074 1.223 0.928 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.955 3.363 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.881 2.996 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.603 1.463 0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.773 1.972 -0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.318 4.940 -0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.270 3.995 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.085 4.823 -0.086 1.00 0.00 H new ATOM 980 N GLN A 62 -8.854 2.606 2.046 1.00 0.00 N ATOM 981 CA GLN A 62 -10.035 3.238 2.621 1.00 0.00 C ATOM 982 C GLN A 62 -9.756 4.696 2.973 1.00 0.00 C ATOM 983 O GLN A 62 -9.090 4.987 3.967 1.00 0.00 O ATOM 984 CB GLN A 62 -10.491 2.478 3.867 1.00 0.00 C ATOM 985 CG GLN A 62 -11.139 1.138 3.559 1.00 0.00 C ATOM 986 CD GLN A 62 -10.363 0.336 2.534 1.00 0.00 C ATOM 987 OE1 GLN A 62 -10.830 0.118 1.415 1.00 0.00 O ATOM 988 NE2 GLN A 62 -9.169 -0.108 2.909 1.00 0.00 N ATOM 0 H GLN A 62 -8.355 1.985 2.683 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.830 3.209 1.876 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.632 2.316 4.518 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.198 3.096 4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.223 0.560 4.479 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.152 1.304 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.820 0.096 3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.601 -0.653 2.260 1.00 0.00 H new ATOM 997 N ILE A 63 -10.269 5.606 2.153 1.00 0.00 N ATOM 998 CA ILE A 63 -10.075 7.033 2.379 1.00 0.00 C ATOM 999 C ILE A 63 -11.398 7.726 2.689 1.00 0.00 C ATOM 1000 O ILE A 63 -12.321 7.717 1.874 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.426 7.713 1.159 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.013 7.169 0.936 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.394 9.223 1.349 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.378 7.648 -0.351 1.00 0.00 C ATOM 0 H ILE A 63 -10.822 5.381 1.326 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.408 7.129 3.236 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.025 7.490 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.382 7.464 1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.048 6.080 0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.933 9.690 0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.411 9.597 1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.815 9.465 2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.378 7.223 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.987 7.330 -1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.311 8.736 -0.341 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.482 8.326 3.871 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.692 9.026 4.289 1.00 0.00 C ATOM 1018 C HIS A 64 -13.846 8.048 4.485 1.00 0.00 C ATOM 1019 O HIS A 64 -14.981 8.328 4.104 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.076 10.085 3.255 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.006 11.105 3.015 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -12.258 12.347 2.473 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -10.673 11.061 3.249 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -11.126 13.023 2.382 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -10.149 12.265 2.847 1.00 0.00 N ATOM 0 H HIS A 64 -10.727 8.342 4.557 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.488 9.515 5.242 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.313 9.591 2.313 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.982 10.592 3.586 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -13.175 12.691 2.187 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.124 10.233 3.673 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.018 14.025 1.993 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.546 6.898 5.081 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.558 5.878 5.327 1.00 0.00 C ATOM 1036 C ASN A 65 -15.117 5.339 4.014 1.00 0.00 C ATOM 1037 O ASN A 65 -16.249 4.858 3.961 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.691 6.449 6.181 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.401 6.353 7.667 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -16.047 5.594 8.389 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -14.424 7.124 8.129 1.00 0.00 N ATOM 0 H ASN A 65 -12.610 6.650 5.402 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.086 5.056 5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.854 7.493 5.912 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.615 5.914 5.959 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.182 7.102 9.120 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.915 7.738 7.493 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.316 5.424 2.956 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.732 4.946 1.643 1.00 0.00 C ATOM 1050 C GLN A 66 -13.542 4.400 0.861 1.00 0.00 C ATOM 1051 O GLN A 66 -12.528 5.080 0.701 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.402 6.072 0.855 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.809 7.445 1.132 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.810 8.565 0.926 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -16.672 8.806 1.771 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.700 9.257 -0.202 1.00 0.00 N ATOM 0 H GLN A 66 -13.376 5.819 2.983 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.449 4.138 1.789 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.319 5.858 -0.211 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.465 6.089 1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.439 7.477 2.157 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.951 7.605 0.479 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.970 9.023 -0.875 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.345 10.023 -0.396 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.672 3.170 0.376 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.608 2.534 -0.390 1.00 0.00 C ATOM 1067 C ASP A 67 -12.311 3.319 -1.664 1.00 0.00 C ATOM 1068 O ASP A 67 -13.224 3.729 -2.381 1.00 0.00 O ATOM 1069 CB ASP A 67 -12.993 1.096 -0.741 1.00 0.00 C ATOM 1070 CG ASP A 67 -14.447 0.969 -1.152 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -15.326 1.147 -0.283 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -14.706 0.692 -2.342 1.00 0.00 O ATOM 0 H ASP A 67 -14.504 2.594 0.500 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.709 2.522 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.357 0.740 -1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.804 0.452 0.118 1.00 0.00 H new ATOM 1077 N PHE A 68 -11.027 3.527 -1.939 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.610 4.265 -3.125 1.00 0.00 C ATOM 1079 C PHE A 68 -9.569 3.478 -3.917 1.00 0.00 C ATOM 1080 O PHE A 68 -8.989 2.514 -3.417 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.041 5.629 -2.729 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.065 6.728 -2.725 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.264 6.572 -2.049 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.828 7.916 -3.398 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.208 7.582 -2.045 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.769 8.928 -3.397 1.00 0.00 C ATOM 1087 CZ PHE A 68 -12.960 8.761 -2.719 1.00 0.00 C ATOM 0 H PHE A 68 -10.258 3.195 -1.357 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.486 4.414 -3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.597 5.554 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.239 5.893 -3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.463 5.652 -1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.898 8.052 -3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.139 7.449 -1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.573 9.849 -3.926 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.696 9.551 -2.716 1.00 0.00 H new ATOM 1097 N THR A 69 -9.339 3.896 -5.159 1.00 0.00 N ATOM 1098 CA THR A 69 -8.371 3.230 -6.021 1.00 0.00 C ATOM 1099 C THR A 69 -7.169 4.128 -6.294 1.00 0.00 C ATOM 1100 O THR A 69 -7.253 5.075 -7.075 1.00 0.00 O ATOM 1101 CB THR A 69 -9.005 2.819 -7.364 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.167 2.016 -7.131 1.00 0.00 O ATOM 1103 CG2 THR A 69 -8.010 2.047 -8.217 1.00 0.00 C ATOM 0 H THR A 69 -9.810 4.692 -5.589 1.00 0.00 H new ATOM 0 HA THR A 69 -8.041 2.335 -5.494 1.00 0.00 H new ATOM 0 HB THR A 69 -9.292 3.724 -7.899 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.565 1.760 -7.989 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.479 1.767 -9.160 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.140 2.672 -8.416 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.697 1.148 -7.687 1.00 0.00 H new ATOM 1111 N VAL A 70 -6.050 3.823 -5.644 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.829 4.602 -5.818 1.00 0.00 C ATOM 1113 C VAL A 70 -3.957 4.016 -6.922 1.00 0.00 C ATOM 1114 O VAL A 70 -3.499 2.877 -6.827 1.00 0.00 O ATOM 1115 CB VAL A 70 -4.014 4.665 -4.513 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.688 5.374 -4.745 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.813 5.356 -3.418 1.00 0.00 C ATOM 0 H VAL A 70 -5.964 3.043 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.133 5.611 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.802 3.646 -4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.126 5.409 -3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.112 4.832 -5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.875 6.389 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.221 5.391 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.058 6.371 -3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.733 4.801 -3.234 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.729 4.802 -7.968 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.909 4.362 -9.091 1.00 0.00 C ATOM 1129 C ASP A 71 -1.478 4.872 -8.951 1.00 0.00 C ATOM 1130 O ASP A 71 -1.243 6.078 -8.858 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.510 4.849 -10.411 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.203 3.916 -11.565 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -2.040 3.896 -12.018 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -4.126 3.206 -12.017 1.00 0.00 O ATOM 0 H ASP A 71 -4.100 5.747 -8.062 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.890 3.272 -9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.590 4.944 -10.302 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.124 5.843 -10.638 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.525 3.947 -8.936 1.00 0.00 N ATOM 1140 CA LEU A 72 0.884 4.302 -8.806 1.00 0.00 C ATOM 1141 C LEU A 72 1.427 4.865 -10.116 1.00 0.00 C ATOM 1142 O LEU A 72 2.183 5.836 -10.120 1.00 0.00 O ATOM 1143 CB LEU A 72 1.702 3.079 -8.386 1.00 0.00 C ATOM 1144 CG LEU A 72 1.276 2.403 -7.082 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.662 0.932 -7.093 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.898 3.110 -5.886 1.00 0.00 C ATOM 0 H LEU A 72 -0.702 2.945 -9.012 1.00 0.00 H new ATOM 0 HA LEU A 72 0.970 5.071 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.653 2.341 -9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.746 3.379 -8.292 1.00 0.00 H new ATOM 0 HG LEU A 72 0.192 2.473 -6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.351 0.467 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.169 0.433 -7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.743 0.840 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.584 2.615 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.984 3.072 -5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.572 4.150 -5.868 1.00 0.00 H new ATOM 1158 N SER A 73 1.033 4.249 -11.226 1.00 0.00 N ATOM 1159 CA SER A 73 1.481 4.688 -12.543 1.00 0.00 C ATOM 1160 C SER A 73 1.453 6.210 -12.647 1.00 0.00 C ATOM 1161 O SER A 73 2.426 6.833 -13.074 1.00 0.00 O ATOM 1162 CB SER A 73 0.602 4.075 -13.635 1.00 0.00 C ATOM 1163 OG SER A 73 1.263 4.087 -14.888 1.00 0.00 O ATOM 0 H SER A 73 0.405 3.445 -11.240 1.00 0.00 H new ATOM 0 HA SER A 73 2.508 4.350 -12.681 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.344 3.051 -13.366 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.333 4.630 -13.708 1.00 0.00 H new ATOM 0 HG SER A 73 0.681 3.688 -15.569 1.00 0.00 H new ATOM 1169 N THR A 74 0.330 6.803 -12.254 1.00 0.00 N ATOM 1170 CA THR A 74 0.173 8.251 -12.304 1.00 0.00 C ATOM 1171 C THR A 74 0.236 8.859 -10.907 1.00 0.00 C ATOM 1172 O THR A 74 0.498 10.051 -10.750 1.00 0.00 O ATOM 1173 CB THR A 74 -1.160 8.649 -12.965 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.253 10.075 -13.059 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.340 8.110 -12.172 1.00 0.00 C ATOM 0 H THR A 74 -0.484 6.303 -11.898 1.00 0.00 H new ATOM 0 HA THR A 74 0.997 8.638 -12.904 1.00 0.00 H new ATOM 0 HB THR A 74 -1.188 8.216 -13.965 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.102 10.320 -13.482 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.270 8.404 -12.658 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.282 7.022 -12.127 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.315 8.517 -11.161 1.00 0.00 H new ATOM 1183 N ASN A 75 -0.005 8.032 -9.895 1.00 0.00 N ATOM 1184 CA ASN A 75 0.024 8.489 -8.511 1.00 0.00 C ATOM 1185 C ASN A 75 -1.193 9.354 -8.197 1.00 0.00 C ATOM 1186 O ASN A 75 -1.063 10.474 -7.703 1.00 0.00 O ATOM 1187 CB ASN A 75 1.307 9.278 -8.239 1.00 0.00 C ATOM 1188 CG ASN A 75 2.506 8.698 -8.964 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.689 8.919 -10.161 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.331 7.950 -8.239 1.00 0.00 N ATOM 0 H ASN A 75 -0.223 7.042 -10.008 1.00 0.00 H new ATOM 0 HA ASN A 75 0.000 7.611 -7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.166 10.314 -8.547 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.504 9.288 -7.167 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.155 7.533 -8.672 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.140 7.793 -7.249 1.00 0.00 H new ATOM 1197 N THR A 76 -2.378 8.826 -8.488 1.00 0.00 N ATOM 1198 CA THR A 76 -3.619 9.548 -8.238 1.00 0.00 C ATOM 1199 C THR A 76 -4.718 8.605 -7.761 1.00 0.00 C ATOM 1200 O THR A 76 -4.883 7.509 -8.294 1.00 0.00 O ATOM 1201 CB THR A 76 -4.104 10.285 -9.501 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.125 11.246 -9.913 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.430 10.984 -9.244 1.00 0.00 C ATOM 0 H THR A 76 -2.504 7.900 -8.897 1.00 0.00 H new ATOM 0 HA THR A 76 -3.407 10.279 -7.458 1.00 0.00 H new ATOM 0 HB THR A 76 -4.247 9.549 -10.292 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.440 11.709 -10.717 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.752 11.497 -10.150 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.180 10.247 -8.958 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.309 11.709 -8.439 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.467 9.040 -6.753 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.552 8.235 -6.205 1.00 0.00 C ATOM 1213 C ALA A 77 -7.888 8.611 -6.838 1.00 0.00 C ATOM 1214 O ALA A 77 -8.121 9.771 -7.180 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.618 8.396 -4.694 1.00 0.00 C ATOM 0 H ALA A 77 -5.342 9.945 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.350 7.190 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.433 7.789 -4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.676 8.071 -4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.793 9.443 -4.447 1.00 0.00 H new ATOM 1221 N THR A 78 -8.763 7.623 -6.993 1.00 0.00 N ATOM 1222 CA THR A 78 -10.075 7.849 -7.587 1.00 0.00 C ATOM 1223 C THR A 78 -11.125 6.935 -6.967 1.00 0.00 C ATOM 1224 O THR A 78 -10.799 5.879 -6.425 1.00 0.00 O ATOM 1225 CB THR A 78 -10.049 7.623 -9.110 1.00 0.00 C ATOM 1226 OG1 THR A 78 -9.132 8.536 -9.725 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.435 7.808 -9.709 1.00 0.00 C ATOM 0 H THR A 78 -8.587 6.657 -6.715 1.00 0.00 H new ATOM 0 HA THR A 78 -10.337 8.888 -7.386 1.00 0.00 H new ATOM 0 HB THR A 78 -9.724 6.600 -9.298 1.00 0.00 H new ATOM 0 HG1 THR A 78 -9.120 8.385 -10.693 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.391 7.643 -10.786 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.124 7.092 -9.260 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.785 8.821 -9.511 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.385 7.346 -7.050 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.483 6.562 -6.500 1.00 0.00 C ATOM 1237 C ALA A 79 -14.754 6.740 -7.324 1.00 0.00 C ATOM 1238 O ALA A 79 -14.953 7.757 -7.989 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.734 6.950 -5.050 1.00 0.00 C ATOM 0 H ALA A 79 -12.671 8.219 -7.494 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.200 5.510 -6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.557 6.356 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.835 6.764 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.990 8.008 -4.996 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.634 5.729 -7.283 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.900 5.752 -8.021 1.00 0.00 C ATOM 1247 C PRO A 80 -17.887 6.764 -7.449 1.00 0.00 C ATOM 1248 O PRO A 80 -19.008 6.896 -7.940 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.435 4.328 -7.851 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.817 3.839 -6.586 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.461 4.487 -6.512 1.00 0.00 C ATOM 0 HA PRO A 80 -16.760 6.049 -9.061 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.523 4.319 -7.789 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.158 3.698 -8.696 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.427 4.109 -5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.731 2.752 -6.588 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.169 4.691 -5.482 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.688 3.851 -6.943 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.462 7.476 -6.411 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.310 8.476 -5.773 1.00 0.00 C ATOM 1261 C GLN A 81 -18.187 9.823 -6.477 1.00 0.00 C ATOM 1262 O GLN A 81 -19.173 10.539 -6.645 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.938 8.623 -4.296 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.801 7.296 -3.568 1.00 0.00 C ATOM 1265 CD GLN A 81 -18.162 7.396 -2.099 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -19.216 7.924 -1.742 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -17.288 6.888 -1.238 1.00 0.00 N ATOM 0 H GLN A 81 -16.536 7.379 -5.994 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.344 8.141 -5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.998 9.169 -4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.697 9.225 -3.797 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -18.442 6.556 -4.046 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.776 6.938 -3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.427 6.460 -1.578 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.478 6.926 -0.237 1.00 0.00 H new ATOM 1276 N GLY A 82 -16.968 10.162 -6.887 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.738 11.423 -7.568 1.00 0.00 C ATOM 1278 C GLY A 82 -15.652 12.249 -6.908 1.00 0.00 C ATOM 1279 O GLY A 82 -15.729 13.477 -6.879 1.00 0.00 O ATOM 0 H GLY A 82 -16.136 9.586 -6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.462 11.228 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.665 11.996 -7.587 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.639 11.574 -6.375 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.534 12.255 -5.709 1.00 0.00 C ATOM 1285 C GLN A 83 -12.193 11.689 -6.165 1.00 0.00 C ATOM 1286 O GLN A 83 -12.025 10.475 -6.278 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.667 12.124 -4.191 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.715 13.047 -3.590 1.00 0.00 C ATOM 1289 CD GLN A 83 -16.091 12.412 -3.538 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -16.758 12.264 -4.562 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.522 12.032 -2.341 1.00 0.00 N ATOM 0 H GLN A 83 -14.560 10.557 -6.391 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.574 13.310 -5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.919 11.093 -3.944 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.702 12.335 -3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.411 13.328 -2.582 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.764 13.965 -4.176 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -15.935 12.174 -1.519 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.440 11.598 -2.244 1.00 0.00 H new ATOM 1300 N THR A 84 -11.239 12.578 -6.426 1.00 0.00 N ATOM 1301 CA THR A 84 -9.913 12.168 -6.870 1.00 0.00 C ATOM 1302 C THR A 84 -8.825 12.970 -6.166 1.00 0.00 C ATOM 1303 O THR A 84 -8.972 14.171 -5.940 1.00 0.00 O ATOM 1304 CB THR A 84 -9.755 12.336 -8.393 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.781 13.726 -8.738 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.861 11.603 -9.137 1.00 0.00 C ATOM 0 H THR A 84 -11.361 13.587 -6.337 1.00 0.00 H new ATOM 0 HA THR A 84 -9.806 11.114 -6.615 1.00 0.00 H new ATOM 0 HB THR A 84 -8.797 11.907 -8.686 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.678 13.824 -9.708 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.728 11.737 -10.211 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.820 10.541 -8.896 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.829 12.006 -8.839 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.731 12.298 -5.821 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.617 12.949 -5.141 1.00 0.00 C ATOM 1316 C PHE A 85 -5.287 12.551 -5.774 1.00 0.00 C ATOM 1317 O PHE A 85 -5.237 11.692 -6.655 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.617 12.586 -3.654 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.984 12.284 -3.111 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.883 13.306 -2.852 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.370 10.977 -2.858 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.142 13.031 -2.352 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.628 10.696 -2.358 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.514 11.724 -2.104 1.00 0.00 C ATOM 0 H PHE A 85 -7.592 11.304 -6.001 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.740 14.027 -5.244 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.974 11.720 -3.500 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.183 13.410 -3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.597 14.330 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.680 10.169 -3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.834 13.837 -2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.917 9.673 -2.166 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.497 11.507 -1.712 1.00 0.00 H new ATOM 1334 N THR A 86 -4.209 13.182 -5.318 1.00 0.00 N ATOM 1335 CA THR A 86 -2.879 12.897 -5.839 1.00 0.00 C ATOM 1336 C THR A 86 -1.971 12.333 -4.752 1.00 0.00 C ATOM 1337 O THR A 86 -1.794 12.945 -3.698 1.00 0.00 O ATOM 1338 CB THR A 86 -2.226 14.158 -6.434 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.111 14.769 -7.379 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.908 13.817 -7.114 1.00 0.00 C ATOM 0 H THR A 86 -4.232 13.894 -4.588 1.00 0.00 H new ATOM 0 HA THR A 86 -3.002 12.154 -6.627 1.00 0.00 H new ATOM 0 HB THR A 86 -2.027 14.855 -5.620 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.689 15.571 -7.751 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.466 14.724 -7.526 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.225 13.379 -6.386 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.087 13.103 -7.918 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.397 11.163 -5.013 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.506 10.518 -4.057 1.00 0.00 C ATOM 1350 C VAL A 87 0.954 10.807 -4.385 1.00 0.00 C ATOM 1351 O VAL A 87 1.360 10.759 -5.546 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.723 8.993 -4.028 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.962 8.645 -3.218 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.828 8.444 -5.443 1.00 0.00 C ATOM 0 H VAL A 87 -1.534 10.642 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.743 10.930 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 87 0.138 8.529 -3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.099 7.564 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.841 9.004 -2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.835 9.117 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.981 7.365 -5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.670 8.912 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.092 8.661 -5.987 1.00 0.00 H new ATOM 1364 N GLN A 88 1.739 11.106 -3.355 1.00 0.00 N ATOM 1365 CA GLN A 88 3.155 11.403 -3.535 1.00 0.00 C ATOM 1366 C GLN A 88 4.007 10.607 -2.551 1.00 0.00 C ATOM 1367 O GLN A 88 3.648 10.459 -1.383 1.00 0.00 O ATOM 1368 CB GLN A 88 3.411 12.900 -3.355 1.00 0.00 C ATOM 1369 CG GLN A 88 2.835 13.465 -2.066 1.00 0.00 C ATOM 1370 CD GLN A 88 2.688 14.973 -2.104 1.00 0.00 C ATOM 1371 OE1 GLN A 88 3.127 15.627 -3.051 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.069 15.534 -1.073 1.00 0.00 N ATOM 0 H GLN A 88 1.418 11.149 -2.388 1.00 0.00 H new ATOM 0 HA GLN A 88 3.435 11.113 -4.548 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.486 13.081 -3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.983 13.438 -4.201 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.861 13.013 -1.879 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.480 13.188 -1.232 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.721 14.954 -0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.941 16.546 -1.044 1.00 0.00 H new ATOM 1381 N ARG A 89 5.136 10.097 -3.032 1.00 0.00 N ATOM 1382 CA ARG A 89 6.039 9.315 -2.196 1.00 0.00 C ATOM 1383 C ARG A 89 7.235 10.153 -1.755 1.00 0.00 C ATOM 1384 O ARG A 89 7.878 10.814 -2.572 1.00 0.00 O ATOM 1385 CB ARG A 89 6.521 8.075 -2.950 1.00 0.00 C ATOM 1386 CG ARG A 89 6.913 6.923 -2.039 1.00 0.00 C ATOM 1387 CD ARG A 89 7.395 5.721 -2.837 1.00 0.00 C ATOM 1388 NE ARG A 89 7.950 4.679 -1.977 1.00 0.00 N ATOM 1389 CZ ARG A 89 8.831 3.775 -2.392 1.00 0.00 C ATOM 1390 NH1 ARG A 89 9.255 3.786 -3.648 1.00 0.00 N ATOM 1391 NH2 ARG A 89 9.289 2.859 -1.549 1.00 0.00 N ATOM 0 H ARG A 89 5.447 10.211 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 89 5.491 9.001 -1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.733 7.741 -3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.377 8.346 -3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 89 7.699 7.248 -1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.059 6.635 -1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.565 5.312 -3.413 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.152 6.041 -3.553 1.00 0.00 H new ATOM 0 HE ARG A 89 7.645 4.643 -1.004 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.905 4.490 -4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.931 3.091 -3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.965 2.848 -0.582 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.965 2.165 -1.868 1.00 0.00 H new ATOM 1405 N LEU A 90 7.527 10.122 -0.460 1.00 0.00 N ATOM 1406 CA LEU A 90 8.646 10.880 0.090 1.00 0.00 C ATOM 1407 C LEU A 90 9.438 10.037 1.086 1.00 0.00 C ATOM 1408 O LEU A 90 8.890 9.545 2.072 1.00 0.00 O ATOM 1409 CB LEU A 90 8.141 12.153 0.771 1.00 0.00 C ATOM 1410 CG LEU A 90 7.108 12.967 -0.009 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.733 12.327 0.098 1.00 0.00 C ATOM 1412 CD2 LEU A 90 7.071 14.403 0.493 1.00 0.00 C ATOM 0 H LEU A 90 7.005 9.581 0.229 1.00 0.00 H new ATOM 0 HA LEU A 90 9.306 11.153 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.707 11.879 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.998 12.794 0.979 1.00 0.00 H new ATOM 0 HG LEU A 90 7.400 12.978 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.011 12.920 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.769 11.317 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.432 12.284 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.330 14.967 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.804 14.412 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.052 14.859 0.363 1.00 0.00 H new