USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 0 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 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 91 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.807) USER MOD Set 2.1: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 84:sc= 0.204 USER MOD Single : A 15 GLN : amide:sc= -3.56! K(o=-3.6!,f=-1.2) USER MOD Single : A 18 ASN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -152:sc= 0.00652 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0966 X(o=-0.097,f=-0.097) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 79:sc= 2.05 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot -74:sc= 0.742 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.55) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.455 X(o=-0.46,f=-0.057) USER MOD Single : A 96 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.498) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0.042) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 5 12.563 4.842 -9.594 1.00 0.00 N ATOM 35 CA ASN A 5 12.454 4.905 -8.102 1.00 0.00 C ATOM 36 C ASN A 5 11.717 3.642 -7.552 1.00 0.00 C ATOM 37 O ASN A 5 10.690 3.712 -6.871 1.00 0.00 O ATOM 38 CB ASN A 5 11.759 6.216 -7.672 1.00 0.00 C ATOM 39 CG ASN A 5 12.541 7.524 -7.924 1.00 0.00 C ATOM 40 OD1 ASN A 5 13.564 7.786 -7.295 1.00 0.00 O ATOM 41 ND2 ASN A 5 12.085 8.357 -8.848 1.00 0.00 N ATOM 0 HA ASN A 5 13.455 4.907 -7.670 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.804 6.283 -8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 5 11.537 6.151 -6.607 1.00 0.00 H new ATOM 0 HD21 ASN A 5 12.584 9.225 -9.043 1.00 0.00 H new ATOM 0 HD22 ASN A 5 11.235 8.130 -9.364 1.00 0.00 H new ATOM 42 N ALA A 6 12.300 2.479 -7.864 1.00 0.00 N ATOM 43 CA ALA A 6 11.664 1.149 -7.672 1.00 0.00 C ATOM 44 C ALA A 6 12.378 0.313 -6.584 1.00 0.00 C ATOM 45 O ALA A 6 13.601 0.388 -6.416 1.00 0.00 O ATOM 46 CB ALA A 6 11.655 0.406 -9.023 1.00 0.00 C ATOM 0 H ALA A 6 13.237 2.423 -8.262 1.00 0.00 H new ATOM 0 HA ALA A 6 10.642 1.297 -7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.191 -0.572 -8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.089 0.985 -9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.679 0.279 -9.375 1.00 0.00 H new ATOM 47 N LEU A 7 11.579 -0.493 -5.857 1.00 0.00 N ATOM 48 CA LEU A 7 12.068 -1.319 -4.725 1.00 0.00 C ATOM 49 C LEU A 7 11.717 -2.798 -5.016 1.00 0.00 C ATOM 50 O LEU A 7 10.563 -3.164 -5.258 1.00 0.00 O ATOM 51 CB LEU A 7 11.459 -0.886 -3.363 1.00 0.00 C ATOM 52 CG LEU A 7 11.715 0.575 -2.914 1.00 0.00 C ATOM 53 CD1 LEU A 7 11.036 0.864 -1.563 1.00 0.00 C ATOM 54 CD2 LEU A 7 13.200 0.972 -2.823 1.00 0.00 C ATOM 0 H LEU A 7 10.579 -0.593 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 7 13.146 -1.182 -4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.381 -1.043 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.846 -1.551 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 7 11.277 1.183 -3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.231 1.896 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.961 0.710 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.434 0.191 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.280 2.010 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.705 0.329 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.668 0.858 -3.801 1.00 0.00 H new ATOM 55 N GLU A 8 12.757 -3.635 -4.916 1.00 0.00 N ATOM 56 CA GLU A 8 12.625 -5.115 -4.982 1.00 0.00 C ATOM 57 C GLU A 8 12.169 -5.645 -3.592 1.00 0.00 C ATOM 58 O GLU A 8 12.846 -5.459 -2.574 1.00 0.00 O ATOM 59 CB GLU A 8 13.940 -5.800 -5.420 1.00 0.00 C ATOM 60 CG GLU A 8 14.409 -5.485 -6.859 1.00 0.00 C ATOM 61 CD GLU A 8 15.665 -6.260 -7.273 1.00 0.00 C ATOM 62 OE1 GLU A 8 15.626 -7.513 -7.296 1.00 0.00 O ATOM 63 OE2 GLU A 8 16.695 -5.622 -7.585 1.00 0.00 O ATOM 0 H GLU A 8 13.717 -3.316 -4.787 1.00 0.00 H new ATOM 0 HA GLU A 8 11.879 -5.359 -5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.729 -5.508 -4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.816 -6.879 -5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.603 -5.716 -7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.606 -4.416 -6.943 1.00 0.00 H new ATOM 64 N THR A 9 10.970 -6.238 -3.581 1.00 0.00 N ATOM 65 CA THR A 9 10.140 -6.385 -2.354 1.00 0.00 C ATOM 66 C THR A 9 9.626 -7.854 -2.353 1.00 0.00 C ATOM 67 O THR A 9 8.767 -8.225 -3.156 1.00 0.00 O ATOM 68 CB THR A 9 9.047 -5.267 -2.398 1.00 0.00 C ATOM 69 OG1 THR A 9 9.663 -3.979 -2.367 1.00 0.00 O ATOM 70 CG2 THR A 9 8.020 -5.285 -1.261 1.00 0.00 C ATOM 0 H THR A 9 10.537 -6.633 -4.416 1.00 0.00 H new ATOM 0 HA THR A 9 10.663 -6.240 -1.409 1.00 0.00 H new ATOM 0 HB THR A 9 8.509 -5.472 -3.324 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.930 -3.722 -3.274 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.314 -4.466 -1.396 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.482 -6.233 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.532 -5.169 -0.306 1.00 0.00 H new ATOM 71 N TRP A 10 10.212 -8.702 -1.486 1.00 0.00 N ATOM 72 CA TRP A 10 10.187 -10.186 -1.658 1.00 0.00 C ATOM 73 C TRP A 10 9.208 -10.922 -0.693 1.00 0.00 C ATOM 74 O TRP A 10 8.797 -10.394 0.348 1.00 0.00 O ATOM 75 CB TRP A 10 11.641 -10.741 -1.568 1.00 0.00 C ATOM 76 CG TRP A 10 12.488 -10.467 -2.822 1.00 0.00 C ATOM 77 CD1 TRP A 10 13.409 -9.413 -2.981 1.00 0.00 C ATOM 78 CD2 TRP A 10 12.447 -11.116 -4.047 1.00 0.00 C ATOM 79 NE1 TRP A 10 13.943 -9.384 -4.281 1.00 0.00 N ATOM 80 CE2 TRP A 10 13.327 -10.439 -4.929 1.00 0.00 C ATOM 81 CE3 TRP A 10 11.683 -12.219 -4.505 1.00 0.00 C ATOM 82 CZ2 TRP A 10 13.439 -10.857 -6.277 1.00 0.00 C ATOM 83 CZ3 TRP A 10 11.832 -12.627 -5.830 1.00 0.00 C ATOM 84 CH2 TRP A 10 12.690 -11.953 -6.705 1.00 0.00 C ATOM 0 H TRP A 10 10.713 -8.393 -0.653 1.00 0.00 H new ATOM 0 HA TRP A 10 9.784 -10.393 -2.650 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.136 -10.299 -0.703 1.00 0.00 H new ATOM 0 HB3 TRP A 10 11.600 -11.817 -1.397 1.00 0.00 H new ATOM 0 HD1 TRP A 10 13.672 -8.714 -2.201 1.00 0.00 H new ATOM 0 HE1 TRP A 10 14.630 -8.732 -4.661 1.00 0.00 H new ATOM 0 HE3 TRP A 10 11.001 -12.732 -3.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 14.093 -10.337 -6.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 11.274 -13.480 -6.187 1.00 0.00 H new ATOM 0 HH2 TRP A 10 12.774 -12.287 -7.729 1.00 0.00 H new ATOM 85 N GLY A 11 8.847 -12.162 -1.075 1.00 0.00 N ATOM 86 CA GLY A 11 7.884 -12.997 -0.322 1.00 0.00 C ATOM 87 C GLY A 11 8.068 -14.524 -0.505 1.00 0.00 C ATOM 88 O GLY A 11 9.054 -15.007 -1.068 1.00 0.00 O ATOM 0 H GLY A 11 9.213 -12.615 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.970 -12.759 0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.873 -12.728 -0.629 1.00 0.00 H new ATOM 89 N ALA A 12 7.100 -15.286 0.034 1.00 0.00 N ATOM 90 CA ALA A 12 7.129 -16.776 0.056 1.00 0.00 C ATOM 91 C ALA A 12 5.695 -17.292 0.338 1.00 0.00 C ATOM 92 O ALA A 12 5.091 -16.876 1.334 1.00 0.00 O ATOM 93 CB ALA A 12 8.105 -17.298 1.134 1.00 0.00 C ATOM 0 H ALA A 12 6.267 -14.892 0.471 1.00 0.00 H new ATOM 0 HA ALA A 12 7.478 -17.143 -0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.106 -18.388 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.110 -16.933 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.789 -16.941 2.114 1.00 0.00 H new ATOM 94 N LEU A 13 5.156 -18.198 -0.514 1.00 0.00 N ATOM 95 CA LEU A 13 3.687 -18.484 -0.619 1.00 0.00 C ATOM 96 C LEU A 13 2.960 -18.712 0.745 1.00 0.00 C ATOM 97 O LEU A 13 3.417 -19.515 1.569 1.00 0.00 O ATOM 98 CB LEU A 13 3.334 -19.710 -1.518 1.00 0.00 C ATOM 99 CG LEU A 13 3.516 -19.588 -3.055 1.00 0.00 C ATOM 100 CD1 LEU A 13 4.967 -19.713 -3.493 1.00 0.00 C ATOM 101 CD2 LEU A 13 2.682 -20.626 -3.839 1.00 0.00 C ATOM 0 H LEU A 13 5.721 -18.757 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 13 3.329 -17.562 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.938 -20.552 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.292 -19.969 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 13 3.158 -18.585 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.029 -19.619 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.557 -18.924 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.356 -20.685 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.848 -20.494 -4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.984 -21.632 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.624 -20.486 -3.616 1.00 0.00 H new ATOM 102 N GLY A 14 1.868 -17.964 0.983 1.00 0.00 N ATOM 103 CA GLY A 14 1.331 -17.771 2.350 1.00 0.00 C ATOM 104 C GLY A 14 2.041 -16.582 3.024 1.00 0.00 C ATOM 105 O GLY A 14 2.865 -16.787 3.918 1.00 0.00 O ATOM 0 H GLY A 14 1.340 -17.484 0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.257 -17.589 2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.477 -18.676 2.940 1.00 0.00 H new ATOM 106 N GLN A 15 1.767 -15.366 2.515 1.00 0.00 N ATOM 107 CA GLN A 15 2.638 -14.185 2.749 1.00 0.00 C ATOM 108 C GLN A 15 1.787 -12.977 3.209 1.00 0.00 C ATOM 109 O GLN A 15 0.905 -12.512 2.477 1.00 0.00 O ATOM 110 CB GLN A 15 3.440 -13.879 1.455 1.00 0.00 C ATOM 111 CG GLN A 15 4.611 -12.876 1.642 1.00 0.00 C ATOM 112 CD GLN A 15 4.448 -11.431 1.128 1.00 0.00 C ATOM 113 OE1 GLN A 15 5.422 -10.806 0.715 1.00 0.00 O ATOM 114 NE2 GLN A 15 3.255 -10.860 1.138 1.00 0.00 N ATOM 0 H GLN A 15 0.950 -15.170 1.937 1.00 0.00 H new ATOM 0 HA GLN A 15 3.351 -14.395 3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.839 -14.814 1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.756 -13.483 0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.832 -12.823 2.708 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.489 -13.301 1.156 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.445 -11.377 1.480 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.145 -9.903 0.803 1.00 0.00 H new ATOM 115 N ASP A 16 2.108 -12.456 4.405 1.00 0.00 N ATOM 116 CA ASP A 16 1.403 -11.293 5.012 1.00 0.00 C ATOM 117 C ASP A 16 2.421 -10.115 5.010 1.00 0.00 C ATOM 118 O ASP A 16 3.399 -10.159 5.767 1.00 0.00 O ATOM 119 CB ASP A 16 0.824 -11.542 6.449 1.00 0.00 C ATOM 120 CG ASP A 16 1.010 -12.899 7.160 1.00 0.00 C ATOM 121 OD1 ASP A 16 0.567 -13.939 6.629 1.00 0.00 O ATOM 122 OD2 ASP A 16 1.606 -12.920 8.262 1.00 0.00 O ATOM 0 H ASP A 16 2.862 -12.823 4.986 1.00 0.00 H new ATOM 0 HA ASP A 16 0.515 -11.079 4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.251 -10.780 7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.248 -11.354 6.397 1.00 0.00 H new ATOM 123 N ILE A 17 2.202 -9.071 4.175 1.00 0.00 N ATOM 124 CA ILE A 17 3.115 -7.880 4.118 1.00 0.00 C ATOM 125 C ILE A 17 2.292 -6.563 3.981 1.00 0.00 C ATOM 126 O ILE A 17 1.183 -6.551 3.440 1.00 0.00 O ATOM 127 CB ILE A 17 4.241 -8.055 3.027 1.00 0.00 C ATOM 128 CG1 ILE A 17 5.559 -7.301 3.370 1.00 0.00 C ATOM 129 CG2 ILE A 17 3.767 -7.718 1.588 1.00 0.00 C ATOM 130 CD1 ILE A 17 6.785 -7.671 2.513 1.00 0.00 C ATOM 0 H ILE A 17 1.411 -9.019 3.533 1.00 0.00 H new ATOM 0 HA ILE A 17 3.653 -7.804 5.063 1.00 0.00 H new ATOM 0 HB ILE A 17 4.467 -9.121 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.379 -6.230 3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.801 -7.488 4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.592 -7.860 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.942 -8.375 1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.433 -6.681 1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.646 -7.087 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.003 -8.733 2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.575 -7.456 1.465 1.00 0.00 H new ATOM 131 N ASN A 18 2.899 -5.444 4.412 1.00 0.00 N ATOM 132 CA ASN A 18 2.329 -4.085 4.227 1.00 0.00 C ATOM 133 C ASN A 18 2.937 -3.383 2.975 1.00 0.00 C ATOM 134 O ASN A 18 4.148 -3.482 2.740 1.00 0.00 O ATOM 135 CB ASN A 18 2.553 -3.229 5.509 1.00 0.00 C ATOM 136 CG ASN A 18 1.702 -3.641 6.730 1.00 0.00 C ATOM 137 OD1 ASN A 18 1.924 -4.684 7.343 1.00 0.00 O ATOM 138 ND2 ASN A 18 0.725 -2.836 7.122 1.00 0.00 N ATOM 0 H ASN A 18 3.796 -5.449 4.898 1.00 0.00 H new ATOM 0 HA ASN A 18 1.257 -4.184 4.058 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.606 -3.285 5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.340 -2.186 5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.156 -3.081 7.933 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.542 -1.971 6.613 1.00 0.00 H new ATOM 139 N LEU A 19 2.109 -2.626 2.216 1.00 0.00 N ATOM 140 CA LEU A 19 2.625 -1.624 1.226 1.00 0.00 C ATOM 141 C LEU A 19 2.435 -0.215 1.828 1.00 0.00 C ATOM 142 O LEU A 19 1.318 0.296 1.943 1.00 0.00 O ATOM 143 CB LEU A 19 2.079 -1.700 -0.242 1.00 0.00 C ATOM 144 CG LEU A 19 2.834 -2.717 -1.148 1.00 0.00 C ATOM 145 CD1 LEU A 19 2.073 -2.928 -2.459 1.00 0.00 C ATOM 146 CD2 LEU A 19 4.291 -2.296 -1.468 1.00 0.00 C ATOM 0 H LEU A 19 1.092 -2.681 2.262 1.00 0.00 H new ATOM 0 HA LEU A 19 3.675 -1.877 1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.023 -1.970 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.142 -0.710 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 19 2.884 -3.646 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.613 -3.641 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.077 -3.315 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.987 -1.978 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.757 -3.050 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.287 -1.337 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.855 -2.204 -0.540 1.00 0.00 H new ATOM 147 N ASP A 20 3.568 0.384 2.213 1.00 0.00 N ATOM 148 CA ASP A 20 3.636 1.740 2.805 1.00 0.00 C ATOM 149 C ASP A 20 4.432 2.649 1.799 1.00 0.00 C ATOM 150 O ASP A 20 4.788 2.257 0.676 1.00 0.00 O ATOM 151 CB ASP A 20 4.320 1.614 4.206 1.00 0.00 C ATOM 152 CG ASP A 20 3.608 0.784 5.295 1.00 0.00 C ATOM 153 OD1 ASP A 20 2.399 0.493 5.169 1.00 0.00 O ATOM 154 OD2 ASP A 20 4.272 0.418 6.289 1.00 0.00 O ATOM 0 H ASP A 20 4.482 -0.060 2.124 1.00 0.00 H new ATOM 0 HA ASP A 20 2.658 2.195 2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.311 1.185 4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.465 2.621 4.597 1.00 0.00 H new ATOM 155 N ILE A 21 4.742 3.877 2.228 1.00 0.00 N ATOM 156 CA ILE A 21 5.793 4.714 1.575 1.00 0.00 C ATOM 157 C ILE A 21 6.548 5.507 2.710 1.00 0.00 C ATOM 158 O ILE A 21 6.146 6.629 3.034 1.00 0.00 O ATOM 159 CB ILE A 21 5.243 5.513 0.340 1.00 0.00 C ATOM 160 CG1 ILE A 21 6.314 5.976 -0.688 1.00 0.00 C ATOM 161 CG2 ILE A 21 4.254 6.637 0.693 1.00 0.00 C ATOM 162 CD1 ILE A 21 7.422 6.912 -0.188 1.00 0.00 C ATOM 0 H ILE A 21 4.289 4.327 3.023 1.00 0.00 H new ATOM 0 HA ILE A 21 6.558 4.114 1.082 1.00 0.00 H new ATOM 0 HB ILE A 21 4.662 4.751 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.788 5.086 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.798 6.475 -1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.927 7.134 -0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.390 6.214 1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.743 7.361 1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.095 7.151 -1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.977 7.830 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.982 6.420 0.608 1.00 0.00 H new ATOM 163 N PRO A 22 7.638 4.974 3.344 1.00 0.00 N ATOM 164 CA PRO A 22 8.351 5.650 4.466 1.00 0.00 C ATOM 165 C PRO A 22 9.154 6.943 4.146 1.00 0.00 C ATOM 166 O PRO A 22 9.490 7.244 2.997 1.00 0.00 O ATOM 167 CB PRO A 22 9.308 4.548 4.978 1.00 0.00 C ATOM 168 CG PRO A 22 8.655 3.237 4.579 1.00 0.00 C ATOM 169 CD PRO A 22 8.006 3.549 3.231 1.00 0.00 C ATOM 0 HA PRO A 22 7.611 6.027 5.172 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.297 4.647 4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.438 4.610 6.058 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.388 2.435 4.494 1.00 0.00 H new ATOM 0 HG3 PRO A 22 7.916 2.918 5.314 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.696 3.377 2.405 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.132 2.922 3.052 1.00 0.00 H new ATOM 170 N SER A 23 9.504 7.646 5.239 1.00 0.00 N ATOM 171 CA SER A 23 10.479 8.775 5.258 1.00 0.00 C ATOM 172 C SER A 23 10.032 10.059 4.490 1.00 0.00 C ATOM 173 O SER A 23 10.744 10.558 3.615 1.00 0.00 O ATOM 174 CB SER A 23 11.915 8.277 4.935 1.00 0.00 C ATOM 175 OG SER A 23 12.885 9.267 5.248 1.00 0.00 O ATOM 0 H SER A 23 9.113 7.448 6.160 1.00 0.00 H new ATOM 0 HA SER A 23 10.502 9.142 6.284 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.123 7.369 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.984 8.018 3.878 1.00 0.00 H new ATOM 0 HG SER A 23 13.779 8.927 5.037 1.00 0.00 H new ATOM 176 N PHE A 24 8.849 10.590 4.854 1.00 0.00 N ATOM 177 CA PHE A 24 8.298 11.842 4.261 1.00 0.00 C ATOM 178 C PHE A 24 7.510 12.625 5.347 1.00 0.00 C ATOM 179 O PHE A 24 6.654 12.072 6.049 1.00 0.00 O ATOM 180 CB PHE A 24 7.397 11.572 3.014 1.00 0.00 C ATOM 181 CG PHE A 24 8.181 11.363 1.706 1.00 0.00 C ATOM 182 CD1 PHE A 24 8.604 12.468 0.954 1.00 0.00 C ATOM 183 CD2 PHE A 24 8.533 10.078 1.286 1.00 0.00 C ATOM 184 CE1 PHE A 24 9.376 12.286 -0.189 1.00 0.00 C ATOM 185 CE2 PHE A 24 9.315 9.899 0.148 1.00 0.00 C ATOM 186 CZ PHE A 24 9.731 11.003 -0.592 1.00 0.00 C ATOM 0 H PHE A 24 8.245 10.173 5.562 1.00 0.00 H new ATOM 0 HA PHE A 24 9.139 12.440 3.910 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.787 10.689 3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.713 12.411 2.885 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.329 13.466 1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.197 9.219 1.847 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.700 13.141 -0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.599 8.904 -0.161 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.330 10.863 -1.480 1.00 0.00 H new ATOM 187 N GLN A 25 7.791 13.940 5.439 1.00 0.00 N ATOM 188 CA GLN A 25 7.131 14.852 6.410 1.00 0.00 C ATOM 189 C GLN A 25 5.719 15.285 5.917 1.00 0.00 C ATOM 190 O GLN A 25 5.508 15.574 4.733 1.00 0.00 O ATOM 191 CB GLN A 25 8.017 16.104 6.682 1.00 0.00 C ATOM 192 CG GLN A 25 9.389 15.869 7.361 1.00 0.00 C ATOM 193 CD GLN A 25 9.330 15.199 8.748 1.00 0.00 C ATOM 194 OE1 GLN A 25 9.411 13.977 8.867 1.00 0.00 O ATOM 195 NE2 GLN A 25 9.177 15.973 9.812 1.00 0.00 N ATOM 0 H GLN A 25 8.479 14.404 4.846 1.00 0.00 H new ATOM 0 HA GLN A 25 7.007 14.302 7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.193 16.606 5.731 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.446 16.793 7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.001 15.252 6.703 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.896 16.829 7.460 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.111 16.985 9.701 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.125 15.557 10.742 1.00 0.00 H new ATOM 196 N MET A 26 4.754 15.299 6.853 1.00 0.00 N ATOM 197 CA MET A 26 3.309 15.405 6.526 1.00 0.00 C ATOM 198 C MET A 26 2.857 16.880 6.333 1.00 0.00 C ATOM 199 O MET A 26 3.092 17.744 7.186 1.00 0.00 O ATOM 200 CB MET A 26 2.442 14.732 7.632 1.00 0.00 C ATOM 201 CG MET A 26 2.529 13.197 7.711 1.00 0.00 C ATOM 202 SD MET A 26 4.128 12.665 8.365 1.00 0.00 S ATOM 203 CE MET A 26 4.067 10.902 7.992 1.00 0.00 C ATOM 0 H MET A 26 4.945 15.238 7.853 1.00 0.00 H new ATOM 0 HA MET A 26 3.162 14.883 5.581 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.735 15.144 8.598 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.401 15.010 7.470 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.729 12.817 8.346 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.379 12.770 6.719 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.986 10.426 8.334 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.214 10.452 8.500 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.965 10.761 6.916 1.00 0.00 H new ATOM 204 N SER A 27 2.128 17.116 5.228 1.00 0.00 N ATOM 205 CA SER A 27 1.291 18.339 5.049 1.00 0.00 C ATOM 206 C SER A 27 0.011 18.414 5.946 1.00 0.00 C ATOM 207 O SER A 27 -0.401 19.521 6.310 1.00 0.00 O ATOM 208 CB SER A 27 0.927 18.440 3.549 1.00 0.00 C ATOM 209 OG SER A 27 0.274 19.672 3.254 1.00 0.00 O ATOM 0 H SER A 27 2.095 16.477 4.434 1.00 0.00 H new ATOM 0 HA SER A 27 1.885 19.190 5.382 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.831 18.353 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.279 17.608 3.273 1.00 0.00 H new ATOM 0 HG SER A 27 0.058 19.707 2.299 1.00 0.00 H new ATOM 210 N ASP A 28 -0.613 17.265 6.290 1.00 0.00 N ATOM 211 CA ASP A 28 -1.821 17.174 7.174 1.00 0.00 C ATOM 212 C ASP A 28 -3.181 17.590 6.512 1.00 0.00 C ATOM 213 O ASP A 28 -4.100 18.048 7.200 1.00 0.00 O ATOM 214 CB ASP A 28 -1.604 17.744 8.612 1.00 0.00 C ATOM 215 CG ASP A 28 -0.380 17.193 9.370 1.00 0.00 C ATOM 216 OD1 ASP A 28 -0.438 16.041 9.854 1.00 0.00 O ATOM 217 OD2 ASP A 28 0.639 17.907 9.468 1.00 0.00 O ATOM 0 H ASP A 28 -0.294 16.354 5.961 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.941 16.100 7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.508 18.828 8.543 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.497 17.540 9.203 1.00 0.00 H new ATOM 218 N ASP A 29 -3.337 17.345 5.194 1.00 0.00 N ATOM 219 CA ASP A 29 -4.651 17.331 4.494 1.00 0.00 C ATOM 220 C ASP A 29 -4.528 16.193 3.441 1.00 0.00 C ATOM 221 O ASP A 29 -4.139 16.441 2.295 1.00 0.00 O ATOM 222 CB ASP A 29 -5.002 18.699 3.838 1.00 0.00 C ATOM 223 CG ASP A 29 -5.327 19.837 4.810 1.00 0.00 C ATOM 224 OD1 ASP A 29 -6.471 19.892 5.316 1.00 0.00 O ATOM 225 OD2 ASP A 29 -4.441 20.676 5.078 1.00 0.00 O ATOM 0 H ASP A 29 -2.551 17.149 4.575 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.470 17.157 5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.164 19.007 3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.856 18.555 3.177 1.00 0.00 H new ATOM 226 N ILE A 30 -4.807 14.936 3.850 1.00 0.00 N ATOM 227 CA ILE A 30 -4.526 13.725 3.028 1.00 0.00 C ATOM 228 C ILE A 30 -5.687 12.697 3.220 1.00 0.00 C ATOM 229 O ILE A 30 -6.142 12.416 4.331 1.00 0.00 O ATOM 230 CB ILE A 30 -3.086 13.108 3.224 1.00 0.00 C ATOM 231 CG1 ILE A 30 -2.511 12.993 4.670 1.00 0.00 C ATOM 232 CG2 ILE A 30 -2.043 13.848 2.346 1.00 0.00 C ATOM 233 CD1 ILE A 30 -3.232 12.031 5.626 1.00 0.00 C ATOM 0 H ILE A 30 -5.231 14.726 4.754 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.500 14.034 1.983 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.253 12.076 2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.469 12.683 4.598 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.517 13.986 5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.059 13.405 2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.322 13.759 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.014 14.901 2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.736 12.043 6.596 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.269 12.345 5.745 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.204 11.021 5.216 1.00 0.00 H new ATOM 234 N ASP A 31 -6.154 12.159 2.084 1.00 0.00 N ATOM 235 CA ASP A 31 -7.331 11.245 2.012 1.00 0.00 C ATOM 236 C ASP A 31 -7.077 10.044 1.058 1.00 0.00 C ATOM 237 O ASP A 31 -7.309 8.903 1.473 1.00 0.00 O ATOM 238 CB ASP A 31 -8.621 12.033 1.611 1.00 0.00 C ATOM 239 CG ASP A 31 -9.710 12.226 2.677 1.00 0.00 C ATOM 240 OD1 ASP A 31 -9.450 12.060 3.890 1.00 0.00 O ATOM 241 OD2 ASP A 31 -10.844 12.579 2.291 1.00 0.00 O ATOM 0 H ASP A 31 -5.730 12.340 1.174 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.485 10.828 3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.315 13.020 1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.073 11.522 0.761 1.00 0.00 H new ATOM 242 N ASP A 32 -6.680 10.283 -0.213 1.00 0.00 N ATOM 243 CA ASP A 32 -6.691 9.226 -1.261 1.00 0.00 C ATOM 244 C ASP A 32 -5.382 8.405 -1.274 1.00 0.00 C ATOM 245 O ASP A 32 -4.288 8.977 -1.343 1.00 0.00 O ATOM 246 CB ASP A 32 -6.892 9.776 -2.700 1.00 0.00 C ATOM 247 CG ASP A 32 -8.156 10.588 -3.007 1.00 0.00 C ATOM 248 OD1 ASP A 32 -8.327 11.684 -2.434 1.00 0.00 O ATOM 249 OD2 ASP A 32 -8.966 10.147 -3.850 1.00 0.00 O ATOM 0 H ASP A 32 -6.349 11.191 -0.540 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.542 8.601 -0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.031 10.401 -2.938 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.869 8.928 -3.384 1.00 0.00 H new ATOM 250 N ILE A 33 -5.534 7.069 -1.234 1.00 0.00 N ATOM 251 CA ILE A 33 -4.372 6.142 -1.073 1.00 0.00 C ATOM 252 C ILE A 33 -4.464 5.112 -2.235 1.00 0.00 C ATOM 253 O ILE A 33 -5.259 4.170 -2.188 1.00 0.00 O ATOM 254 CB ILE A 33 -4.314 5.501 0.363 1.00 0.00 C ATOM 255 CG1 ILE A 33 -4.349 6.504 1.560 1.00 0.00 C ATOM 256 CG2 ILE A 33 -3.124 4.517 0.534 1.00 0.00 C ATOM 257 CD1 ILE A 33 -3.279 7.613 1.609 1.00 0.00 C ATOM 0 H ILE A 33 -6.436 6.599 -1.309 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.424 6.675 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.252 4.949 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.328 6.984 1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.273 5.927 2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.134 4.106 1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.215 3.707 -0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.186 5.048 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.433 8.228 2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.288 7.161 1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.359 8.235 0.717 1.00 0.00 H new ATOM 258 N LYS A 34 -3.633 5.326 -3.270 1.00 0.00 N ATOM 259 CA LYS A 34 -3.730 4.623 -4.578 1.00 0.00 C ATOM 260 C LYS A 34 -2.610 3.577 -4.730 1.00 0.00 C ATOM 261 O LYS A 34 -1.448 3.849 -4.422 1.00 0.00 O ATOM 262 CB LYS A 34 -3.589 5.690 -5.724 1.00 0.00 C ATOM 263 CG LYS A 34 -4.698 5.799 -6.777 1.00 0.00 C ATOM 264 CD LYS A 34 -5.858 6.718 -6.341 1.00 0.00 C ATOM 265 CE LYS A 34 -6.871 6.940 -7.477 1.00 0.00 C ATOM 266 NZ LYS A 34 -8.056 7.679 -7.008 1.00 0.00 N ATOM 0 H LYS A 34 -2.865 5.996 -3.230 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.690 4.110 -4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.485 6.667 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.655 5.488 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.272 6.177 -7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.090 4.804 -6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.366 6.279 -5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.458 7.679 -6.018 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.395 7.491 -8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.179 5.977 -7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.879 7.418 -7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.243 7.440 -6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.883 8.701 -7.092 1.00 0.00 H new ATOM 267 N TRP A 35 -2.973 2.406 -5.268 1.00 0.00 N ATOM 268 CA TRP A 35 -1.997 1.334 -5.616 1.00 0.00 C ATOM 269 C TRP A 35 -2.520 0.590 -6.902 1.00 0.00 C ATOM 270 O TRP A 35 -3.634 0.042 -6.970 1.00 0.00 O ATOM 271 CB TRP A 35 -1.690 0.368 -4.442 1.00 0.00 C ATOM 272 CG TRP A 35 -0.856 0.970 -3.274 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.263 1.610 -2.085 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.505 0.972 -3.189 1.00 0.00 C ATOM 275 NE1 TRP A 35 -0.194 1.954 -1.244 1.00 0.00 N ATOM 276 CE2 TRP A 35 0.908 1.554 -1.963 1.00 0.00 C ATOM 277 CE3 TRP A 35 1.450 0.492 -4.095 1.00 0.00 C ATOM 278 CZ2 TRP A 35 2.286 1.634 -1.636 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.794 0.545 -3.759 1.00 0.00 C ATOM 280 CH2 TRP A 35 3.205 1.090 -2.537 1.00 0.00 C ATOM 0 H TRP A 35 -3.941 2.164 -5.478 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.032 1.794 -5.829 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -2.635 0.003 -4.039 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.157 -0.497 -4.837 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.296 1.815 -1.845 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.226 2.393 -0.324 1.00 0.00 H new ATOM 0 HE3 TRP A 35 1.139 0.084 -5.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.615 2.101 -0.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.532 0.161 -4.448 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.255 1.090 -2.285 1.00 0.00 H new ATOM 281 N GLU A 36 -1.648 0.647 -7.921 1.00 0.00 N ATOM 282 CA GLU A 36 -1.991 0.514 -9.366 1.00 0.00 C ATOM 283 C GLU A 36 -0.933 -0.436 -9.984 1.00 0.00 C ATOM 284 O GLU A 36 0.269 -0.149 -9.970 1.00 0.00 O ATOM 285 CB GLU A 36 -1.919 1.941 -9.971 1.00 0.00 C ATOM 286 CG GLU A 36 -3.119 2.854 -9.625 1.00 0.00 C ATOM 287 CD GLU A 36 -2.990 4.261 -10.217 1.00 0.00 C ATOM 288 OE1 GLU A 36 -2.228 5.083 -9.658 1.00 0.00 O ATOM 289 OE2 GLU A 36 -3.652 4.551 -11.237 1.00 0.00 O ATOM 0 H GLU A 36 -0.650 0.791 -7.768 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.983 0.104 -9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.004 2.421 -9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.845 1.857 -11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.036 2.394 -9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.211 2.929 -8.541 1.00 0.00 H new ATOM 290 N LYS A 37 -1.398 -1.580 -10.527 1.00 0.00 N ATOM 291 CA LYS A 37 -0.514 -2.638 -11.083 1.00 0.00 C ATOM 292 C LYS A 37 0.033 -2.222 -12.475 1.00 0.00 C ATOM 293 O LYS A 37 -0.742 -2.100 -13.427 1.00 0.00 O ATOM 294 CB LYS A 37 -1.302 -3.976 -11.131 1.00 0.00 C ATOM 295 CG LYS A 37 -0.526 -5.237 -11.576 1.00 0.00 C ATOM 296 CD LYS A 37 -1.415 -6.473 -11.842 1.00 0.00 C ATOM 297 CE LYS A 37 -2.002 -7.158 -10.595 1.00 0.00 C ATOM 298 NZ LYS A 37 -2.737 -8.387 -10.940 1.00 0.00 N ATOM 0 H LYS A 37 -2.392 -1.801 -10.595 1.00 0.00 H new ATOM 0 HA LYS A 37 0.356 -2.775 -10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.710 -4.163 -10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.149 -3.845 -11.804 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.032 -5.004 -12.483 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.205 -5.489 -10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.239 -6.172 -12.489 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.828 -7.207 -12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.197 -7.399 -9.900 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.670 -6.467 -10.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.117 -8.819 -10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.520 -8.154 -11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.093 -9.057 -11.407 1.00 0.00 H new ATOM 299 N THR A 38 1.359 -2.011 -12.598 1.00 0.00 N ATOM 300 CA THR A 38 1.971 -1.513 -13.870 1.00 0.00 C ATOM 301 C THR A 38 1.949 -2.537 -15.048 1.00 0.00 C ATOM 302 O THR A 38 1.630 -2.146 -16.176 1.00 0.00 O ATOM 303 CB THR A 38 3.390 -0.898 -13.679 1.00 0.00 C ATOM 304 OG1 THR A 38 4.319 -1.889 -13.259 1.00 0.00 O ATOM 305 CG2 THR A 38 3.461 0.291 -12.704 1.00 0.00 C ATOM 0 H THR A 38 2.030 -2.172 -11.847 1.00 0.00 H new ATOM 0 HA THR A 38 1.306 -0.702 -14.167 1.00 0.00 H new ATOM 0 HB THR A 38 3.648 -0.508 -14.664 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.203 -1.482 -13.147 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.489 0.648 -12.640 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.820 1.095 -13.064 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.125 -0.027 -11.717 1.00 0.00 H new ATOM 306 N SER A 39 2.258 -3.827 -14.788 1.00 0.00 N ATOM 307 CA SER A 39 2.200 -4.907 -15.810 1.00 0.00 C ATOM 308 C SER A 39 0.793 -5.213 -16.418 1.00 0.00 C ATOM 309 O SER A 39 0.729 -5.476 -17.624 1.00 0.00 O ATOM 310 CB SER A 39 2.845 -6.179 -15.210 1.00 0.00 C ATOM 311 OG SER A 39 3.014 -7.183 -16.205 1.00 0.00 O ATOM 0 H SER A 39 2.554 -4.153 -13.868 1.00 0.00 H new ATOM 0 HA SER A 39 2.758 -4.540 -16.671 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.812 -5.929 -14.772 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.220 -6.563 -14.404 1.00 0.00 H new ATOM 0 HG SER A 39 3.425 -7.977 -15.803 1.00 0.00 H new ATOM 312 N ASP A 40 -0.302 -5.192 -15.623 1.00 0.00 N ATOM 313 CA ASP A 40 -1.681 -5.429 -16.145 1.00 0.00 C ATOM 314 C ASP A 40 -2.647 -4.257 -15.770 1.00 0.00 C ATOM 315 O ASP A 40 -3.713 -4.463 -15.180 1.00 0.00 O ATOM 316 CB ASP A 40 -2.199 -6.834 -15.717 1.00 0.00 C ATOM 317 CG ASP A 40 -1.413 -8.034 -16.273 1.00 0.00 C ATOM 318 OD1 ASP A 40 -1.734 -8.503 -17.388 1.00 0.00 O ATOM 319 OD2 ASP A 40 -0.467 -8.500 -15.602 1.00 0.00 O ATOM 0 H ASP A 40 -0.264 -5.014 -14.619 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.647 -5.436 -17.234 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.187 -6.889 -14.628 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.239 -6.928 -16.030 1.00 0.00 H new ATOM 320 N LYS A 41 -2.309 -3.028 -16.222 1.00 0.00 N ATOM 321 CA LYS A 41 -3.255 -1.893 -16.393 1.00 0.00 C ATOM 322 C LYS A 41 -3.756 -1.270 -15.053 1.00 0.00 C ATOM 323 O LYS A 41 -4.872 -1.550 -14.612 1.00 0.00 O ATOM 324 CB LYS A 41 -4.358 -2.200 -17.451 1.00 0.00 C ATOM 325 CG LYS A 41 -5.154 -0.975 -17.959 1.00 0.00 C ATOM 326 CD LYS A 41 -5.979 -1.241 -19.240 1.00 0.00 C ATOM 327 CE LYS A 41 -7.147 -2.242 -19.136 1.00 0.00 C ATOM 328 NZ LYS A 41 -8.293 -1.729 -18.365 1.00 0.00 N ATOM 0 H LYS A 41 -1.353 -2.789 -16.484 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.681 -1.073 -16.824 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.890 -2.688 -18.306 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.060 -2.915 -17.021 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.827 -0.641 -17.170 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.458 -0.158 -18.152 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.381 -0.289 -19.586 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.297 -1.598 -20.012 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.482 -2.503 -20.140 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.788 -3.160 -18.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.041 -2.450 -18.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.988 -1.505 -17.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.660 -0.869 -18.820 1.00 0.00 H new ATOM 329 N LYS A 42 -2.898 -0.380 -14.508 1.00 0.00 N ATOM 330 CA LYS A 42 -3.109 0.536 -13.354 1.00 0.00 C ATOM 331 C LYS A 42 -4.548 0.883 -12.871 1.00 0.00 C ATOM 332 O LYS A 42 -5.080 1.976 -13.097 1.00 0.00 O ATOM 333 CB LYS A 42 -2.295 1.819 -13.708 1.00 0.00 C ATOM 334 CG LYS A 42 -0.749 1.649 -13.735 1.00 0.00 C ATOM 335 CD LYS A 42 0.048 2.927 -14.052 1.00 0.00 C ATOM 336 CE LYS A 42 -0.091 3.393 -15.514 1.00 0.00 C ATOM 337 NZ LYS A 42 0.722 4.592 -15.780 1.00 0.00 N ATOM 0 H LYS A 42 -1.960 -0.271 -14.893 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.777 -0.012 -12.472 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.620 2.176 -14.685 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.544 2.596 -12.986 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.425 1.269 -12.766 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.496 0.890 -14.475 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.286 3.727 -13.391 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.101 2.752 -13.834 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.215 2.589 -16.183 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.138 3.607 -15.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.604 4.878 -16.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.413 5.366 -15.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.724 4.380 -15.597 1.00 0.00 H new ATOM 338 N LYS A 43 -5.129 -0.093 -12.155 1.00 0.00 N ATOM 339 CA LYS A 43 -6.375 0.059 -11.368 1.00 0.00 C ATOM 340 C LYS A 43 -6.658 -1.332 -10.732 1.00 0.00 C ATOM 341 O LYS A 43 -7.415 -2.145 -11.276 1.00 0.00 O ATOM 342 CB LYS A 43 -7.631 0.633 -12.097 1.00 0.00 C ATOM 343 CG LYS A 43 -7.989 0.014 -13.473 1.00 0.00 C ATOM 344 CD LYS A 43 -9.500 0.053 -13.788 1.00 0.00 C ATOM 345 CE LYS A 43 -9.892 -0.626 -15.114 1.00 0.00 C ATOM 346 NZ LYS A 43 -9.759 -2.097 -15.076 1.00 0.00 N ATOM 0 H LYS A 43 -4.740 -1.035 -12.103 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.194 0.844 -10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.490 0.513 -11.437 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.483 1.704 -12.235 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.448 0.548 -14.255 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.647 -1.021 -13.498 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.041 -0.429 -12.974 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.826 1.093 -13.816 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.923 -0.367 -15.357 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.267 -0.232 -15.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.037 -2.495 -15.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.771 -2.351 -14.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.375 -2.482 -14.332 1.00 0.00 H new ATOM 347 N ILE A 44 -6.054 -1.591 -9.561 1.00 0.00 N ATOM 348 CA ILE A 44 -6.428 -2.744 -8.694 1.00 0.00 C ATOM 349 C ILE A 44 -7.273 -2.163 -7.538 1.00 0.00 C ATOM 350 O ILE A 44 -8.473 -2.461 -7.478 1.00 0.00 O ATOM 351 CB ILE A 44 -5.204 -3.624 -8.270 1.00 0.00 C ATOM 352 CG1 ILE A 44 -4.419 -4.208 -9.476 1.00 0.00 C ATOM 353 CG2 ILE A 44 -5.560 -4.758 -7.273 1.00 0.00 C ATOM 354 CD1 ILE A 44 -5.181 -5.132 -10.447 1.00 0.00 C ATOM 0 H ILE A 44 -5.299 -1.019 -9.182 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.030 -3.473 -9.236 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.553 -2.922 -7.749 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.019 -3.373 -10.052 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.566 -4.763 -9.084 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.660 -5.323 -7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.976 -4.325 -6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.294 -5.424 -7.727 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.508 -5.463 -11.238 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.558 -5.999 -9.904 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.017 -4.588 -10.887 1.00 0.00 H new ATOM 355 N ALA A 45 -6.671 -1.352 -6.641 1.00 0.00 N ATOM 356 CA ALA A 45 -7.422 -0.747 -5.523 1.00 0.00 C ATOM 357 C ALA A 45 -6.932 0.698 -5.270 1.00 0.00 C ATOM 358 O ALA A 45 -5.867 1.141 -5.721 1.00 0.00 O ATOM 359 CB ALA A 45 -7.349 -1.701 -4.314 1.00 0.00 C ATOM 0 H ALA A 45 -5.682 -1.105 -6.669 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.481 -0.633 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.899 -1.270 -3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.789 -2.662 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.307 -1.846 -4.027 1.00 0.00 H new ATOM 360 N GLN A 46 -7.781 1.465 -4.580 1.00 0.00 N ATOM 361 CA GLN A 46 -7.653 2.942 -4.512 1.00 0.00 C ATOM 362 C GLN A 46 -8.714 3.476 -3.523 1.00 0.00 C ATOM 363 O GLN A 46 -9.881 3.068 -3.536 1.00 0.00 O ATOM 364 CB GLN A 46 -7.780 3.657 -5.897 1.00 0.00 C ATOM 365 CG GLN A 46 -8.924 3.192 -6.827 1.00 0.00 C ATOM 366 CD GLN A 46 -9.010 3.914 -8.178 1.00 0.00 C ATOM 367 OE1 GLN A 46 -9.752 4.880 -8.341 1.00 0.00 O ATOM 368 NE2 GLN A 46 -8.266 3.456 -9.177 1.00 0.00 N ATOM 0 H GLN A 46 -8.572 1.094 -4.054 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.644 3.169 -4.168 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.904 4.725 -5.716 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.838 3.531 -6.430 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.807 2.124 -7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.871 3.323 -6.303 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.654 2.654 -9.031 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.307 3.906 -10.091 1.00 0.00 H new ATOM 369 N PHE A 47 -8.277 4.402 -2.666 1.00 0.00 N ATOM 370 CA PHE A 47 -9.092 4.924 -1.538 1.00 0.00 C ATOM 371 C PHE A 47 -9.341 6.442 -1.662 1.00 0.00 C ATOM 372 O PHE A 47 -8.643 7.147 -2.393 1.00 0.00 O ATOM 373 CB PHE A 47 -8.376 4.548 -0.201 1.00 0.00 C ATOM 374 CG PHE A 47 -9.013 3.334 0.489 1.00 0.00 C ATOM 375 CD1 PHE A 47 -8.980 2.071 -0.115 1.00 0.00 C ATOM 376 CD2 PHE A 47 -9.692 3.504 1.696 1.00 0.00 C ATOM 377 CE1 PHE A 47 -9.616 0.989 0.490 1.00 0.00 C ATOM 378 CE2 PHE A 47 -10.328 2.421 2.300 1.00 0.00 C ATOM 379 CZ PHE A 47 -10.291 1.164 1.697 1.00 0.00 C ATOM 0 H PHE A 47 -7.348 4.819 -2.725 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.081 4.466 -1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.326 4.337 -0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.405 5.402 0.475 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.460 1.935 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.725 4.477 2.163 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.586 0.015 0.024 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.850 2.555 3.236 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.786 0.326 2.165 1.00 0.00 H new ATOM 380 N ARG A 48 -10.340 6.895 -0.884 1.00 0.00 N ATOM 381 CA ARG A 48 -10.600 8.326 -0.604 1.00 0.00 C ATOM 382 C ARG A 48 -11.243 8.401 0.811 1.00 0.00 C ATOM 383 O ARG A 48 -10.542 8.762 1.758 1.00 0.00 O ATOM 384 CB ARG A 48 -11.377 8.999 -1.774 1.00 0.00 C ATOM 385 CG ARG A 48 -11.571 10.534 -1.724 1.00 0.00 C ATOM 386 CD ARG A 48 -12.738 11.050 -0.859 1.00 0.00 C ATOM 387 NE ARG A 48 -12.922 12.512 -1.039 1.00 0.00 N ATOM 388 CZ ARG A 48 -13.771 13.269 -0.319 1.00 0.00 C ATOM 389 NH1 ARG A 48 -14.552 12.798 0.651 1.00 0.00 N ATOM 390 NH2 ARG A 48 -13.831 14.562 -0.588 1.00 0.00 N ATOM 0 H ARG A 48 -11.002 6.271 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.691 8.926 -0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.860 8.757 -2.702 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.363 8.539 -1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.648 10.983 -1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.716 10.893 -2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.656 10.528 -1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.543 10.830 0.191 1.00 0.00 H new ATOM 0 HE ARG A 48 -12.367 12.975 -1.758 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.529 11.806 0.888 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.173 13.429 1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.244 14.958 -1.323 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -14.464 15.164 -0.061 1.00 0.00 H new ATOM 391 N LYS A 49 -12.545 8.047 0.919 1.00 0.00 N ATOM 392 CA LYS A 49 -13.359 7.966 2.167 1.00 0.00 C ATOM 393 C LYS A 49 -14.754 8.539 1.795 1.00 0.00 C ATOM 394 O LYS A 49 -14.883 9.733 1.510 1.00 0.00 O ATOM 395 CB LYS A 49 -12.830 8.491 3.539 1.00 0.00 C ATOM 396 CG LYS A 49 -12.656 10.016 3.741 1.00 0.00 C ATOM 397 CD LYS A 49 -13.835 10.703 4.464 1.00 0.00 C ATOM 398 CE LYS A 49 -13.629 12.218 4.617 1.00 0.00 C ATOM 399 NZ LYS A 49 -14.785 12.854 5.276 1.00 0.00 N ATOM 0 H LYS A 49 -13.091 7.795 0.095 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.340 6.911 2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.508 8.132 4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.863 8.022 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.744 10.193 4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.520 10.486 2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.755 10.519 3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.963 10.256 5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.727 12.407 5.199 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.475 12.667 3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.615 13.876 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.641 12.693 4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.916 12.442 6.222 1.00 0.00 H new ATOM 400 N GLU A 50 -15.789 7.678 1.788 1.00 0.00 N ATOM 401 CA GLU A 50 -17.207 8.075 1.495 1.00 0.00 C ATOM 402 C GLU A 50 -17.596 8.561 0.057 1.00 0.00 C ATOM 403 O GLU A 50 -18.769 8.862 -0.193 1.00 0.00 O ATOM 404 CB GLU A 50 -17.821 9.025 2.574 1.00 0.00 C ATOM 405 CG GLU A 50 -17.610 8.684 4.071 1.00 0.00 C ATOM 406 CD GLU A 50 -18.354 7.430 4.538 1.00 0.00 C ATOM 407 OE1 GLU A 50 -17.806 6.315 4.407 1.00 0.00 O ATOM 408 OE2 GLU A 50 -19.494 7.560 5.042 1.00 0.00 O ATOM 0 H GLU A 50 -15.681 6.683 1.984 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.666 7.087 1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.419 10.024 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.895 9.078 2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.544 8.551 4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.934 9.532 4.675 1.00 0.00 H new ATOM 409 N LYS A 51 -16.636 8.594 -0.877 1.00 0.00 N ATOM 410 CA LYS A 51 -16.883 8.857 -2.316 1.00 0.00 C ATOM 411 C LYS A 51 -15.800 8.046 -3.071 1.00 0.00 C ATOM 412 O LYS A 51 -14.593 8.270 -2.947 1.00 0.00 O ATOM 413 CB LYS A 51 -16.776 10.331 -2.790 1.00 0.00 C ATOM 414 CG LYS A 51 -17.617 11.420 -2.084 1.00 0.00 C ATOM 415 CD LYS A 51 -19.135 11.391 -2.362 1.00 0.00 C ATOM 416 CE LYS A 51 -19.534 11.836 -3.781 1.00 0.00 C ATOM 417 NZ LYS A 51 -20.999 11.900 -3.922 1.00 0.00 N ATOM 0 H LYS A 51 -15.652 8.438 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.919 8.581 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.729 10.624 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -17.035 10.353 -3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.463 11.329 -1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.232 12.396 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.502 10.378 -2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.636 12.035 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -19.102 12.813 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.125 11.140 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.242 12.202 -4.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.407 10.961 -3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.384 12.582 -3.238 1.00 0.00 H new ATOM 418 N GLU A 52 -16.312 7.144 -3.902 1.00 0.00 N ATOM 419 CA GLU A 52 -15.549 6.406 -4.955 1.00 0.00 C ATOM 420 C GLU A 52 -14.319 5.604 -4.412 1.00 0.00 C ATOM 421 O GLU A 52 -13.204 6.133 -4.354 1.00 0.00 O ATOM 422 CB GLU A 52 -15.167 7.292 -6.179 1.00 0.00 C ATOM 423 CG GLU A 52 -16.341 7.999 -6.897 1.00 0.00 C ATOM 424 CD GLU A 52 -15.902 8.696 -8.189 1.00 0.00 C ATOM 425 OE1 GLU A 52 -15.427 9.852 -8.123 1.00 0.00 O ATOM 426 OE2 GLU A 52 -16.027 8.089 -9.274 1.00 0.00 O ATOM 0 H GLU A 52 -17.298 6.884 -3.877 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.256 5.659 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.460 8.052 -5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.646 6.668 -6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -17.116 7.268 -7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -16.785 8.733 -6.225 1.00 0.00 H new ATOM 427 N THR A 53 -14.544 4.346 -3.986 1.00 0.00 N ATOM 428 CA THR A 53 -13.502 3.509 -3.328 1.00 0.00 C ATOM 429 C THR A 53 -13.540 2.092 -3.971 1.00 0.00 C ATOM 430 O THR A 53 -14.556 1.391 -3.893 1.00 0.00 O ATOM 431 CB THR A 53 -13.724 3.487 -1.781 1.00 0.00 C ATOM 432 OG1 THR A 53 -13.625 4.812 -1.261 1.00 0.00 O ATOM 433 CG2 THR A 53 -12.723 2.622 -0.995 1.00 0.00 C ATOM 0 H THR A 53 -15.444 3.877 -4.084 1.00 0.00 H new ATOM 0 HA THR A 53 -12.507 3.926 -3.483 1.00 0.00 H new ATOM 0 HB THR A 53 -14.714 3.050 -1.649 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.766 4.794 -0.291 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.957 2.670 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.789 1.589 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.712 2.994 -1.161 1.00 0.00 H new ATOM 434 N PHE A 54 -12.404 1.669 -4.558 1.00 0.00 N ATOM 435 CA PHE A 54 -12.213 0.280 -5.055 1.00 0.00 C ATOM 436 C PHE A 54 -11.509 -0.560 -3.948 1.00 0.00 C ATOM 437 O PHE A 54 -10.389 -0.247 -3.528 1.00 0.00 O ATOM 438 CB PHE A 54 -11.348 0.243 -6.351 1.00 0.00 C ATOM 439 CG PHE A 54 -11.860 0.827 -7.693 1.00 0.00 C ATOM 440 CD1 PHE A 54 -13.126 1.404 -7.865 1.00 0.00 C ATOM 441 CD2 PHE A 54 -10.994 0.754 -8.793 1.00 0.00 C ATOM 442 CE1 PHE A 54 -13.512 1.901 -9.107 1.00 0.00 C ATOM 443 CE2 PHE A 54 -11.385 1.249 -10.035 1.00 0.00 C ATOM 444 CZ PHE A 54 -12.643 1.823 -10.190 1.00 0.00 C ATOM 0 H PHE A 54 -11.594 2.271 -4.704 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.193 -0.134 -5.293 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.413 0.755 -6.121 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.102 -0.803 -6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.806 1.463 -7.028 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -10.016 0.311 -8.677 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.488 2.348 -9.230 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -10.712 1.187 -10.877 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.945 2.208 -11.153 1.00 0.00 H new ATOM 445 N LYS A 55 -12.167 -1.654 -3.515 1.00 0.00 N ATOM 446 CA LYS A 55 -11.521 -2.728 -2.712 1.00 0.00 C ATOM 447 C LYS A 55 -12.283 -4.067 -2.932 1.00 0.00 C ATOM 448 O LYS A 55 -13.518 -4.098 -3.004 1.00 0.00 O ATOM 449 CB LYS A 55 -11.299 -2.359 -1.213 1.00 0.00 C ATOM 450 CG LYS A 55 -12.514 -2.200 -0.258 1.00 0.00 C ATOM 451 CD LYS A 55 -13.117 -3.484 0.356 1.00 0.00 C ATOM 452 CE LYS A 55 -12.161 -4.309 1.240 1.00 0.00 C ATOM 453 NZ LYS A 55 -12.834 -5.494 1.802 1.00 0.00 N ATOM 0 H LYS A 55 -13.154 -1.824 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.502 -2.855 -3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.650 -3.123 -0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.745 -1.420 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.214 -1.546 0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.305 -1.686 -0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.987 -3.207 0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.475 -4.120 -0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.299 -4.623 0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.783 -3.685 2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.163 -6.027 2.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.642 -5.192 2.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.173 -6.101 1.028 1.00 0.00 H new ATOM 454 N GLU A 56 -11.526 -5.178 -3.014 1.00 0.00 N ATOM 455 CA GLU A 56 -12.092 -6.538 -3.251 1.00 0.00 C ATOM 456 C GLU A 56 -12.160 -7.341 -1.916 1.00 0.00 C ATOM 457 O GLU A 56 -13.265 -7.600 -1.427 1.00 0.00 O ATOM 458 CB GLU A 56 -11.316 -7.204 -4.427 1.00 0.00 C ATOM 459 CG GLU A 56 -11.953 -8.468 -5.053 1.00 0.00 C ATOM 460 CD GLU A 56 -11.714 -9.769 -4.281 1.00 0.00 C ATOM 461 OE1 GLU A 56 -10.591 -10.316 -4.345 1.00 0.00 O ATOM 462 OE2 GLU A 56 -12.653 -10.257 -3.613 1.00 0.00 O ATOM 0 H GLU A 56 -10.510 -5.168 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.132 -6.500 -3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.189 -6.461 -5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.319 -7.466 -4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.028 -8.308 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.565 -8.588 -6.065 1.00 0.00 H new ATOM 463 N LYS A 57 -11.005 -7.742 -1.352 1.00 0.00 N ATOM 464 CA LYS A 57 -10.924 -8.597 -0.133 1.00 0.00 C ATOM 465 C LYS A 57 -9.880 -8.031 0.874 1.00 0.00 C ATOM 466 O LYS A 57 -9.175 -7.049 0.614 1.00 0.00 O ATOM 467 CB LYS A 57 -10.625 -10.072 -0.574 1.00 0.00 C ATOM 468 CG LYS A 57 -11.830 -11.021 -0.439 1.00 0.00 C ATOM 469 CD LYS A 57 -11.492 -12.473 -0.835 1.00 0.00 C ATOM 470 CE LYS A 57 -12.676 -13.431 -0.612 1.00 0.00 C ATOM 471 NZ LYS A 57 -12.316 -14.814 -0.961 1.00 0.00 N ATOM 0 H LYS A 57 -10.091 -7.485 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.875 -8.593 0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.291 -10.070 -1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.801 -10.460 0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.187 -11.003 0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.645 -10.658 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.197 -12.502 -1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.636 -12.816 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.991 -13.387 0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.525 -13.110 -1.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.133 -15.437 -0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.038 -14.858 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.521 -15.126 -0.367 1.00 0.00 H new ATOM 472 N ASP A 58 -9.750 -8.711 2.031 1.00 0.00 N ATOM 473 CA ASP A 58 -8.548 -8.578 2.918 1.00 0.00 C ATOM 474 C ASP A 58 -7.179 -8.926 2.262 1.00 0.00 C ATOM 475 O ASP A 58 -6.177 -8.243 2.493 1.00 0.00 O ATOM 476 CB ASP A 58 -8.626 -9.373 4.249 1.00 0.00 C ATOM 477 CG ASP A 58 -9.939 -9.289 5.041 1.00 0.00 C ATOM 478 OD1 ASP A 58 -10.227 -8.219 5.625 1.00 0.00 O ATOM 479 OD2 ASP A 58 -10.690 -10.289 5.074 1.00 0.00 O ATOM 0 H ASP A 58 -10.454 -9.360 2.383 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.583 -7.507 3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.432 -10.422 4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.819 -9.029 4.896 1.00 0.00 H new ATOM 480 N THR A 59 -7.183 -9.976 1.426 1.00 0.00 N ATOM 481 CA THR A 59 -6.085 -10.326 0.480 1.00 0.00 C ATOM 482 C THR A 59 -5.452 -9.156 -0.346 1.00 0.00 C ATOM 483 O THR A 59 -4.277 -9.257 -0.711 1.00 0.00 O ATOM 484 CB THR A 59 -6.531 -11.465 -0.488 1.00 0.00 C ATOM 485 OG1 THR A 59 -7.507 -10.998 -1.419 1.00 0.00 O ATOM 486 CG2 THR A 59 -7.084 -12.739 0.180 1.00 0.00 C ATOM 0 H THR A 59 -7.965 -10.629 1.380 1.00 0.00 H new ATOM 0 HA THR A 59 -5.285 -10.652 1.145 1.00 0.00 H new ATOM 0 HB THR A 59 -5.601 -11.748 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.768 -11.731 -2.015 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.362 -13.461 -0.588 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.320 -13.172 0.826 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.962 -12.486 0.775 1.00 0.00 H new ATOM 487 N TYR A 60 -6.210 -8.072 -0.630 1.00 0.00 N ATOM 488 CA TYR A 60 -5.637 -6.807 -1.130 1.00 0.00 C ATOM 489 C TYR A 60 -6.548 -5.636 -0.650 1.00 0.00 C ATOM 490 O TYR A 60 -7.608 -5.377 -1.233 1.00 0.00 O ATOM 491 CB TYR A 60 -5.460 -6.887 -2.672 1.00 0.00 C ATOM 492 CG TYR A 60 -4.261 -6.088 -3.167 1.00 0.00 C ATOM 493 CD1 TYR A 60 -2.971 -6.630 -3.092 1.00 0.00 C ATOM 494 CD2 TYR A 60 -4.436 -4.779 -3.610 1.00 0.00 C ATOM 495 CE1 TYR A 60 -1.870 -5.850 -3.429 1.00 0.00 C ATOM 496 CE2 TYR A 60 -3.335 -4.009 -3.968 1.00 0.00 C ATOM 497 CZ TYR A 60 -2.053 -4.529 -3.829 1.00 0.00 C ATOM 498 OH TYR A 60 -0.972 -3.702 -3.986 1.00 0.00 O ATOM 0 H TYR A 60 -7.224 -8.051 -0.520 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.640 -6.624 -0.729 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.344 -7.930 -2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.363 -6.517 -3.157 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.832 -7.652 -2.773 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.430 -4.361 -3.676 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.875 -6.268 -3.381 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.475 -3.010 -4.353 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.536 -3.893 -4.843 1.00 0.00 H new ATOM 499 N LYS A 61 -6.123 -4.961 0.433 1.00 0.00 N ATOM 500 CA LYS A 61 -6.899 -3.869 1.104 1.00 0.00 C ATOM 501 C LYS A 61 -5.999 -2.639 1.397 1.00 0.00 C ATOM 502 O LYS A 61 -4.908 -2.803 1.934 1.00 0.00 O ATOM 503 CB LYS A 61 -7.627 -4.358 2.396 1.00 0.00 C ATOM 504 CG LYS A 61 -6.740 -4.895 3.551 1.00 0.00 C ATOM 505 CD LYS A 61 -7.491 -5.298 4.836 1.00 0.00 C ATOM 506 CE LYS A 61 -7.853 -4.116 5.752 1.00 0.00 C ATOM 507 NZ LYS A 61 -8.547 -4.576 6.970 1.00 0.00 N ATOM 0 H LYS A 61 -5.226 -5.149 0.881 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.676 -3.562 0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.220 -3.530 2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.325 -5.145 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.187 -5.761 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.005 -4.132 3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.406 -5.822 4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.877 -6.003 5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.947 -3.577 6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.489 -3.415 5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.778 -3.757 7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.423 -5.070 6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.929 -5.226 7.497 1.00 0.00 H new ATOM 508 N LEU A 62 -6.455 -1.412 1.060 1.00 0.00 N ATOM 509 CA LEU A 62 -5.589 -0.196 1.107 1.00 0.00 C ATOM 510 C LEU A 62 -6.041 0.663 2.323 1.00 0.00 C ATOM 511 O LEU A 62 -7.126 1.247 2.288 1.00 0.00 O ATOM 512 CB LEU A 62 -5.538 0.600 -0.248 1.00 0.00 C ATOM 513 CG LEU A 62 -5.558 -0.120 -1.645 1.00 0.00 C ATOM 514 CD1 LEU A 62 -4.738 0.626 -2.707 1.00 0.00 C ATOM 515 CD2 LEU A 62 -4.999 -1.553 -1.693 1.00 0.00 C ATOM 0 H LEU A 62 -7.411 -1.230 0.753 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.551 -0.499 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.383 1.289 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.632 1.206 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.630 -0.135 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.787 0.084 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.144 1.628 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.700 0.696 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.069 -1.937 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.955 -1.547 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.576 -2.191 -1.024 1.00 0.00 H new ATOM 516 N PHE A 63 -5.243 0.743 3.413 1.00 0.00 N ATOM 517 CA PHE A 63 -5.630 1.492 4.643 1.00 0.00 C ATOM 518 C PHE A 63 -5.757 3.042 4.453 1.00 0.00 C ATOM 519 O PHE A 63 -5.144 3.636 3.562 1.00 0.00 O ATOM 520 CB PHE A 63 -4.552 1.157 5.712 1.00 0.00 C ATOM 521 CG PHE A 63 -4.953 1.407 7.176 1.00 0.00 C ATOM 522 CD1 PHE A 63 -5.901 0.584 7.793 1.00 0.00 C ATOM 523 CD2 PHE A 63 -4.394 2.469 7.891 1.00 0.00 C ATOM 524 CE1 PHE A 63 -6.269 0.812 9.117 1.00 0.00 C ATOM 525 CE2 PHE A 63 -4.766 2.696 9.212 1.00 0.00 C ATOM 526 CZ PHE A 63 -5.703 1.866 9.827 1.00 0.00 C ATOM 0 H PHE A 63 -4.326 0.300 3.471 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.631 1.180 4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.277 0.108 5.606 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.659 1.744 5.495 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.348 -0.230 7.242 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.671 3.116 7.417 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.995 0.169 9.593 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.329 3.516 9.762 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.989 2.041 10.854 1.00 0.00 H new ATOM 527 N LYS A 64 -6.546 3.671 5.345 1.00 0.00 N ATOM 528 CA LYS A 64 -6.803 5.136 5.325 1.00 0.00 C ATOM 529 C LYS A 64 -5.598 6.068 5.632 1.00 0.00 C ATOM 530 O LYS A 64 -5.358 6.987 4.846 1.00 0.00 O ATOM 531 CB LYS A 64 -8.008 5.490 6.244 1.00 0.00 C ATOM 532 CG LYS A 64 -9.403 5.218 5.636 1.00 0.00 C ATOM 533 CD LYS A 64 -10.549 5.486 6.642 1.00 0.00 C ATOM 534 CE LYS A 64 -11.969 5.534 6.040 1.00 0.00 C ATOM 535 NZ LYS A 64 -12.426 4.245 5.492 1.00 0.00 N ATOM 0 H LYS A 64 -7.026 3.184 6.102 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.030 5.342 4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.916 4.923 7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.944 6.545 6.509 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.541 5.846 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.454 4.183 5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.525 4.710 7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.354 6.434 7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.669 5.860 6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.993 6.284 5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.386 4.353 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.780 3.941 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.435 3.530 6.247 1.00 0.00 H new ATOM 536 N ASN A 65 -4.854 5.849 6.739 1.00 0.00 N ATOM 537 CA ASN A 65 -3.666 6.640 7.122 1.00 0.00 C ATOM 538 C ASN A 65 -2.579 6.816 6.011 1.00 0.00 C ATOM 539 O ASN A 65 -2.042 7.913 5.826 1.00 0.00 O ATOM 540 CB ASN A 65 -3.076 6.069 8.442 1.00 0.00 C ATOM 541 CG ASN A 65 -2.028 6.960 9.141 1.00 0.00 C ATOM 542 OD1 ASN A 65 -2.340 8.042 9.637 1.00 0.00 O ATOM 543 ND2 ASN A 65 -0.773 6.536 9.191 1.00 0.00 N ATOM 0 H ASN A 65 -5.067 5.104 7.402 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.015 7.661 7.277 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.896 5.888 9.138 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.621 5.102 8.228 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.059 7.108 9.643 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.521 5.638 8.778 1.00 0.00 H new ATOM 544 N GLY A 66 -2.309 5.715 5.295 1.00 0.00 N ATOM 545 CA GLY A 66 -1.455 5.715 4.086 1.00 0.00 C ATOM 546 C GLY A 66 -0.692 4.396 3.942 1.00 0.00 C ATOM 547 O GLY A 66 0.538 4.385 4.049 1.00 0.00 O ATOM 0 H GLY A 66 -2.675 4.794 5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.072 5.878 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.748 6.543 4.138 1.00 0.00 H new ATOM 548 N THR A 67 -1.432 3.285 3.755 1.00 0.00 N ATOM 549 CA THR A 67 -0.896 1.920 3.981 1.00 0.00 C ATOM 550 C THR A 67 -1.701 0.912 3.086 1.00 0.00 C ATOM 551 O THR A 67 -2.624 1.246 2.337 1.00 0.00 O ATOM 552 CB THR A 67 -0.855 1.675 5.541 1.00 0.00 C ATOM 553 OG1 THR A 67 0.315 2.281 6.076 1.00 0.00 O ATOM 554 CG2 THR A 67 -0.876 0.223 6.034 1.00 0.00 C ATOM 0 H THR A 67 -2.404 3.302 3.448 1.00 0.00 H new ATOM 0 HA THR A 67 0.135 1.771 3.659 1.00 0.00 H new ATOM 0 HB THR A 67 -1.791 2.112 5.888 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.099 1.741 5.842 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.843 0.208 7.123 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.789 -0.264 5.692 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.011 -0.308 5.638 1.00 0.00 H new ATOM 555 N LEU A 68 -1.262 -0.354 3.143 1.00 0.00 N ATOM 556 CA LEU A 68 -1.903 -1.514 2.487 1.00 0.00 C ATOM 557 C LEU A 68 -1.637 -2.798 3.339 1.00 0.00 C ATOM 558 O LEU A 68 -0.641 -2.874 4.058 1.00 0.00 O ATOM 559 CB LEU A 68 -1.248 -1.607 1.092 1.00 0.00 C ATOM 560 CG LEU A 68 -1.885 -2.519 0.024 1.00 0.00 C ATOM 561 CD1 LEU A 68 -1.717 -1.883 -1.369 1.00 0.00 C ATOM 562 CD2 LEU A 68 -1.340 -3.950 -0.030 1.00 0.00 C ATOM 0 H LEU A 68 -0.423 -0.612 3.663 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.985 -1.412 2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.207 -0.598 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.219 -1.936 1.234 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.931 -2.603 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.168 -2.530 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.207 -0.910 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.656 -1.759 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.855 -4.506 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.272 -3.925 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.505 -4.439 0.930 1.00 0.00 H new ATOM 563 N LYS A 69 -2.510 -3.821 3.209 1.00 0.00 N ATOM 564 CA LYS A 69 -2.239 -5.195 3.720 1.00 0.00 C ATOM 565 C LYS A 69 -2.559 -6.240 2.609 1.00 0.00 C ATOM 566 O LYS A 69 -3.703 -6.356 2.152 1.00 0.00 O ATOM 567 CB LYS A 69 -3.032 -5.509 5.015 1.00 0.00 C ATOM 568 CG LYS A 69 -2.618 -4.672 6.244 1.00 0.00 C ATOM 569 CD LYS A 69 -3.295 -5.123 7.548 1.00 0.00 C ATOM 570 CE LYS A 69 -2.888 -4.244 8.744 1.00 0.00 C ATOM 571 NZ LYS A 69 -3.461 -4.770 9.995 1.00 0.00 N ATOM 0 H LYS A 69 -3.417 -3.726 2.752 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.182 -5.252 3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.093 -5.348 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.908 -6.565 5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.536 -4.731 6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.862 -3.626 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.377 -5.089 7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.030 -6.160 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.801 -4.208 8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.230 -3.221 8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.175 -4.163 10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.499 -4.781 9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.115 -5.737 10.156 1.00 0.00 H new ATOM 572 N ILE A 70 -1.526 -7.011 2.203 1.00 0.00 N ATOM 573 CA ILE A 70 -1.662 -8.179 1.276 1.00 0.00 C ATOM 574 C ILE A 70 -1.741 -9.409 2.225 1.00 0.00 C ATOM 575 O ILE A 70 -0.695 -9.819 2.751 1.00 0.00 O ATOM 576 CB ILE A 70 -0.474 -8.333 0.241 1.00 0.00 C ATOM 577 CG1 ILE A 70 -0.046 -7.018 -0.470 1.00 0.00 C ATOM 578 CG2 ILE A 70 -0.815 -9.428 -0.803 1.00 0.00 C ATOM 579 CD1 ILE A 70 1.134 -7.075 -1.458 1.00 0.00 C ATOM 0 H ILE A 70 -0.566 -6.848 2.505 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.538 -8.059 0.638 1.00 0.00 H new ATOM 0 HB ILE A 70 0.391 -8.628 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.912 -6.633 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.200 -6.288 0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.009 -9.526 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.972 -10.379 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.722 -9.150 -1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.311 -6.082 -1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.029 -7.416 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.899 -7.767 -2.266 1.00 0.00 H new ATOM 580 N LYS A 71 -2.945 -9.963 2.491 1.00 0.00 N ATOM 581 CA LYS A 71 -3.119 -10.882 3.654 1.00 0.00 C ATOM 582 C LYS A 71 -2.919 -12.378 3.263 1.00 0.00 C ATOM 583 O LYS A 71 -3.766 -12.994 2.603 1.00 0.00 O ATOM 584 CB LYS A 71 -4.490 -10.629 4.341 1.00 0.00 C ATOM 585 CG LYS A 71 -4.622 -9.281 5.094 1.00 0.00 C ATOM 586 CD LYS A 71 -3.989 -9.200 6.499 1.00 0.00 C ATOM 587 CE LYS A 71 -4.747 -10.009 7.568 1.00 0.00 C ATOM 588 NZ LYS A 71 -4.177 -9.812 8.912 1.00 0.00 N ATOM 0 H LYS A 71 -3.789 -9.802 1.941 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.335 -10.659 4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.271 -10.679 3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.678 -11.439 5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.176 -8.502 4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.682 -9.046 5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.961 -9.559 6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.946 -8.156 6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.796 -9.713 7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.716 -11.068 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.715 -10.373 9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.183 -10.118 8.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.230 -8.805 9.167 1.00 0.00 H new ATOM 589 N HIS A 72 -1.799 -12.949 3.751 1.00 0.00 N ATOM 590 CA HIS A 72 -1.543 -14.417 3.846 1.00 0.00 C ATOM 591 C HIS A 72 -1.657 -15.316 2.570 1.00 0.00 C ATOM 592 O HIS A 72 -2.215 -16.413 2.684 1.00 0.00 O ATOM 593 CB HIS A 72 -2.190 -15.015 5.140 1.00 0.00 C ATOM 594 CG HIS A 72 -3.724 -15.081 5.235 1.00 0.00 C ATOM 595 ND1 HIS A 72 -4.494 -14.156 5.928 1.00 0.00 N ATOM 596 CD2 HIS A 72 -4.556 -16.092 4.714 1.00 0.00 C ATOM 597 CE1 HIS A 72 -5.742 -14.687 5.747 1.00 0.00 C ATOM 598 NE2 HIS A 72 -5.880 -15.844 5.031 1.00 0.00 N ATOM 0 H HIS A 72 -1.019 -12.393 4.102 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.457 -14.461 3.932 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.807 -16.028 5.263 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.831 -14.433 5.989 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.209 -16.942 4.146 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.609 -14.198 6.165 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -6.720 -16.373 4.797 1.00 0.00 H new ATOM 599 N LEU A 73 -1.111 -14.932 1.383 1.00 0.00 N ATOM 600 CA LEU A 73 -1.271 -15.753 0.145 1.00 0.00 C ATOM 601 C LEU A 73 -0.088 -15.691 -0.891 1.00 0.00 C ATOM 602 O LEU A 73 0.756 -14.795 -0.950 1.00 0.00 O ATOM 603 CB LEU A 73 -2.655 -15.473 -0.541 1.00 0.00 C ATOM 604 CG LEU A 73 -3.927 -16.083 0.109 1.00 0.00 C ATOM 605 CD1 LEU A 73 -5.186 -15.654 -0.662 1.00 0.00 C ATOM 606 CD2 LEU A 73 -3.913 -17.626 0.201 1.00 0.00 C ATOM 0 H LEU A 73 -0.567 -14.078 1.256 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.240 -16.782 0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.791 -14.393 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.598 -15.835 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.938 -15.696 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.067 -16.091 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.269 -14.567 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.116 -15.999 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.836 -17.971 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.831 -18.049 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.062 -17.947 0.801 1.00 0.00 H new ATOM 607 N LYS A 74 -0.157 -16.755 -1.706 1.00 0.00 N ATOM 608 CA LYS A 74 0.640 -17.106 -2.917 1.00 0.00 C ATOM 609 C LYS A 74 0.937 -16.037 -4.024 1.00 0.00 C ATOM 610 O LYS A 74 0.785 -14.826 -3.846 1.00 0.00 O ATOM 611 CB LYS A 74 -0.134 -18.360 -3.470 1.00 0.00 C ATOM 612 CG LYS A 74 -1.580 -18.139 -3.999 1.00 0.00 C ATOM 613 CD LYS A 74 -2.258 -19.367 -4.639 1.00 0.00 C ATOM 614 CE LYS A 74 -2.573 -20.510 -3.656 1.00 0.00 C ATOM 615 NZ LYS A 74 -3.425 -21.538 -4.279 1.00 0.00 N ATOM 0 H LYS A 74 -0.849 -17.481 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 74 1.676 -17.255 -2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.457 -18.790 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.177 -19.105 -2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.201 -17.796 -3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.558 -17.335 -4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.186 -19.047 -5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.612 -19.752 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.643 -20.965 -3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.073 -20.107 -2.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.618 -22.293 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.322 -21.108 -4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.937 -21.940 -5.105 1.00 0.00 H new ATOM 616 N THR A 75 1.428 -16.559 -5.167 1.00 0.00 N ATOM 617 CA THR A 75 2.041 -15.799 -6.275 1.00 0.00 C ATOM 618 C THR A 75 1.089 -14.929 -7.138 1.00 0.00 C ATOM 619 O THR A 75 1.401 -13.768 -7.414 1.00 0.00 O ATOM 620 CB THR A 75 2.970 -16.745 -7.114 1.00 0.00 C ATOM 621 OG1 THR A 75 3.869 -17.450 -6.261 1.00 0.00 O ATOM 622 CG2 THR A 75 3.839 -16.038 -8.171 1.00 0.00 C ATOM 0 H THR A 75 1.407 -17.562 -5.350 1.00 0.00 H new ATOM 0 HA THR A 75 2.647 -15.026 -5.802 1.00 0.00 H new ATOM 0 HB THR A 75 2.272 -17.403 -7.632 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.440 -18.036 -6.800 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.445 -16.776 -8.697 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.196 -15.521 -8.884 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.492 -15.316 -7.681 1.00 0.00 H new ATOM 623 N ASP A 76 -0.056 -15.492 -7.539 1.00 0.00 N ATOM 624 CA ASP A 76 -1.173 -14.722 -8.169 1.00 0.00 C ATOM 625 C ASP A 76 -1.839 -13.615 -7.279 1.00 0.00 C ATOM 626 O ASP A 76 -2.373 -12.643 -7.821 1.00 0.00 O ATOM 627 CB ASP A 76 -2.217 -15.734 -8.722 1.00 0.00 C ATOM 628 CG ASP A 76 -3.264 -15.147 -9.683 1.00 0.00 C ATOM 629 OD1 ASP A 76 -2.930 -14.900 -10.864 1.00 0.00 O ATOM 630 OD2 ASP A 76 -4.417 -14.922 -9.257 1.00 0.00 O ATOM 0 H ASP A 76 -0.250 -16.489 -7.444 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.729 -14.137 -8.974 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.684 -16.533 -9.237 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.738 -16.189 -7.879 1.00 0.00 H new ATOM 631 N ASP A 77 -1.775 -13.746 -5.943 1.00 0.00 N ATOM 632 CA ASP A 77 -2.186 -12.686 -4.983 1.00 0.00 C ATOM 633 C ASP A 77 -1.223 -11.458 -4.844 1.00 0.00 C ATOM 634 O ASP A 77 -1.615 -10.494 -4.172 1.00 0.00 O ATOM 635 CB ASP A 77 -2.454 -13.391 -3.619 1.00 0.00 C ATOM 636 CG ASP A 77 -3.794 -14.138 -3.587 1.00 0.00 C ATOM 637 OD1 ASP A 77 -4.830 -13.506 -3.275 1.00 0.00 O ATOM 638 OD2 ASP A 77 -3.819 -15.353 -3.882 1.00 0.00 O ATOM 0 H ASP A 77 -1.435 -14.593 -5.487 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.083 -12.211 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.647 -14.094 -3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.439 -12.647 -2.822 1.00 0.00 H new ATOM 639 N GLN A 78 -0.019 -11.442 -5.470 1.00 0.00 N ATOM 640 CA GLN A 78 0.907 -10.270 -5.420 1.00 0.00 C ATOM 641 C GLN A 78 1.685 -10.047 -6.756 1.00 0.00 C ATOM 642 O GLN A 78 1.934 -10.989 -7.519 1.00 0.00 O ATOM 643 CB GLN A 78 1.820 -10.376 -4.171 1.00 0.00 C ATOM 644 CG GLN A 78 2.955 -11.428 -4.226 1.00 0.00 C ATOM 645 CD GLN A 78 3.788 -11.511 -2.943 1.00 0.00 C ATOM 646 OE1 GLN A 78 4.962 -11.142 -2.904 1.00 0.00 O ATOM 647 NE2 GLN A 78 3.205 -12.040 -1.881 1.00 0.00 N ATOM 0 H GLN A 78 0.338 -12.226 -6.017 1.00 0.00 H new ATOM 0 HA GLN A 78 0.311 -9.364 -5.314 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.270 -9.399 -3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.192 -10.598 -3.308 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.520 -12.407 -4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.615 -11.193 -5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.232 -12.341 -1.930 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.729 -12.148 -1.012 1.00 0.00 H new ATOM 648 N ASP A 79 2.050 -8.779 -7.044 1.00 0.00 N ATOM 649 CA ASP A 79 2.537 -8.356 -8.393 1.00 0.00 C ATOM 650 C ASP A 79 3.336 -7.009 -8.352 1.00 0.00 C ATOM 651 O ASP A 79 3.486 -6.381 -7.301 1.00 0.00 O ATOM 652 CB ASP A 79 1.289 -8.203 -9.313 1.00 0.00 C ATOM 653 CG ASP A 79 1.515 -8.596 -10.781 1.00 0.00 C ATOM 654 OD1 ASP A 79 1.419 -9.804 -11.098 1.00 0.00 O ATOM 655 OD2 ASP A 79 1.782 -7.710 -11.621 1.00 0.00 O ATOM 0 H ASP A 79 2.019 -8.021 -6.363 1.00 0.00 H new ATOM 0 HA ASP A 79 3.227 -9.111 -8.771 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.481 -8.813 -8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.954 -7.166 -9.277 1.00 0.00 H new ATOM 656 N ILE A 80 3.769 -6.506 -9.531 1.00 0.00 N ATOM 657 CA ILE A 80 4.370 -5.149 -9.690 1.00 0.00 C ATOM 658 C ILE A 80 3.316 -4.046 -9.367 1.00 0.00 C ATOM 659 O ILE A 80 2.228 -4.050 -9.946 1.00 0.00 O ATOM 660 CB ILE A 80 5.052 -4.922 -11.094 1.00 0.00 C ATOM 661 CG1 ILE A 80 6.014 -6.075 -11.515 1.00 0.00 C ATOM 662 CG2 ILE A 80 5.827 -3.574 -11.120 1.00 0.00 C ATOM 663 CD1 ILE A 80 6.655 -6.005 -12.911 1.00 0.00 C ATOM 0 H ILE A 80 3.714 -7.027 -10.406 1.00 0.00 H new ATOM 0 HA ILE A 80 5.182 -5.076 -8.966 1.00 0.00 H new ATOM 0 HB ILE A 80 4.235 -4.902 -11.816 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.818 -6.125 -10.780 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.462 -7.012 -11.447 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.289 -3.439 -12.098 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.136 -2.753 -10.929 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.600 -3.584 -10.352 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.297 -6.873 -13.061 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.873 -5.997 -13.670 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.250 -5.095 -12.993 1.00 0.00 H new ATOM 664 N TYR A 81 3.669 -3.120 -8.454 1.00 0.00 N ATOM 665 CA TYR A 81 2.803 -1.974 -8.066 1.00 0.00 C ATOM 666 C TYR A 81 3.486 -0.600 -8.330 1.00 0.00 C ATOM 667 O TYR A 81 4.684 -0.493 -8.608 1.00 0.00 O ATOM 668 CB TYR A 81 2.348 -2.130 -6.576 1.00 0.00 C ATOM 669 CG TYR A 81 1.200 -3.141 -6.388 1.00 0.00 C ATOM 670 CD1 TYR A 81 -0.068 -2.914 -6.947 1.00 0.00 C ATOM 671 CD2 TYR A 81 1.496 -4.402 -5.872 1.00 0.00 C ATOM 672 CE1 TYR A 81 -0.923 -3.985 -7.178 1.00 0.00 C ATOM 673 CE2 TYR A 81 0.636 -5.473 -6.091 1.00 0.00 C ATOM 674 CZ TYR A 81 -0.559 -5.272 -6.782 1.00 0.00 C ATOM 675 OH TYR A 81 -1.405 -6.327 -7.010 1.00 0.00 O ATOM 0 H TYR A 81 4.562 -3.140 -7.961 1.00 0.00 H new ATOM 0 HA TYR A 81 1.916 -1.989 -8.699 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.201 -2.444 -5.975 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.032 -1.158 -6.197 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.378 -1.910 -7.197 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.399 -4.548 -5.298 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.872 -3.820 -7.666 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.893 -6.457 -5.727 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.997 -7.152 -6.673 1.00 0.00 H new ATOM 676 N LYS A 82 2.674 0.468 -8.246 1.00 0.00 N ATOM 677 CA LYS A 82 3.158 1.869 -8.229 1.00 0.00 C ATOM 678 C LYS A 82 2.108 2.696 -7.434 1.00 0.00 C ATOM 679 O LYS A 82 0.911 2.694 -7.750 1.00 0.00 O ATOM 680 CB LYS A 82 3.362 2.398 -9.675 1.00 0.00 C ATOM 681 CG LYS A 82 4.043 3.783 -9.785 1.00 0.00 C ATOM 682 CD LYS A 82 4.263 4.270 -11.231 1.00 0.00 C ATOM 683 CE LYS A 82 2.987 4.821 -11.894 1.00 0.00 C ATOM 684 NZ LYS A 82 3.253 5.330 -13.250 1.00 0.00 N ATOM 0 H LYS A 82 1.659 0.389 -8.188 1.00 0.00 H new ATOM 0 HA LYS A 82 4.132 1.950 -7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.960 1.673 -10.228 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.390 2.450 -10.165 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.435 4.517 -9.256 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.007 3.742 -9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.028 5.047 -11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.647 3.444 -11.830 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.233 4.035 -11.942 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.574 5.621 -11.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.371 5.692 -13.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.953 6.097 -13.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.623 4.560 -13.843 1.00 0.00 H new ATOM 685 N VAL A 83 2.589 3.421 -6.413 1.00 0.00 N ATOM 686 CA VAL A 83 1.740 4.281 -5.544 1.00 0.00 C ATOM 687 C VAL A 83 1.509 5.681 -6.169 1.00 0.00 C ATOM 688 O VAL A 83 2.408 6.269 -6.779 1.00 0.00 O ATOM 689 CB VAL A 83 2.332 4.327 -4.094 1.00 0.00 C ATOM 690 CG1 VAL A 83 3.701 5.026 -3.911 1.00 0.00 C ATOM 691 CG2 VAL A 83 1.369 4.856 -3.012 1.00 0.00 C ATOM 0 H VAL A 83 3.577 3.434 -6.158 1.00 0.00 H new ATOM 0 HA VAL A 83 0.746 3.840 -5.468 1.00 0.00 H new ATOM 0 HB VAL A 83 2.497 3.260 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.993 4.986 -2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.452 4.519 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.623 6.066 -4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.870 4.849 -2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.069 5.875 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.486 4.219 -2.968 1.00 0.00 H new ATOM 692 N SER A 84 0.297 6.208 -5.935 1.00 0.00 N ATOM 693 CA SER A 84 0.023 7.664 -5.978 1.00 0.00 C ATOM 694 C SER A 84 -0.683 8.084 -4.652 1.00 0.00 C ATOM 695 O SER A 84 -1.410 7.305 -4.025 1.00 0.00 O ATOM 696 CB SER A 84 -0.862 8.047 -7.183 1.00 0.00 C ATOM 697 OG SER A 84 -0.313 7.615 -8.422 1.00 0.00 O ATOM 0 H SER A 84 -0.523 5.644 -5.711 1.00 0.00 H new ATOM 0 HA SER A 84 0.972 8.189 -6.089 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.852 7.609 -7.056 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.992 9.129 -7.205 1.00 0.00 H new ATOM 0 HG SER A 84 -0.909 7.879 -9.154 1.00 0.00 H new ATOM 698 N ILE A 85 -0.466 9.341 -4.234 1.00 0.00 N ATOM 699 CA ILE A 85 -1.155 9.942 -3.053 1.00 0.00 C ATOM 700 C ILE A 85 -1.851 11.222 -3.590 1.00 0.00 C ATOM 701 O ILE A 85 -1.194 12.098 -4.150 1.00 0.00 O ATOM 702 CB ILE A 85 -0.198 10.198 -1.827 1.00 0.00 C ATOM 703 CG1 ILE A 85 0.360 8.886 -1.191 1.00 0.00 C ATOM 704 CG2 ILE A 85 -0.893 11.004 -0.694 1.00 0.00 C ATOM 705 CD1 ILE A 85 1.646 8.331 -1.816 1.00 0.00 C ATOM 0 H ILE A 85 0.186 9.976 -4.694 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.886 9.253 -2.630 1.00 0.00 H new ATOM 0 HB ILE A 85 0.627 10.771 -2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.543 9.068 -0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.412 8.119 -1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.193 11.154 0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.213 11.972 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.761 10.452 -0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.940 7.420 -1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.472 8.107 -2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.441 9.071 -1.730 1.00 0.00 H new ATOM 706 N TYR A 86 -3.174 11.330 -3.383 1.00 0.00 N ATOM 707 CA TYR A 86 -3.949 12.569 -3.692 1.00 0.00 C ATOM 708 C TYR A 86 -4.553 13.109 -2.362 1.00 0.00 C ATOM 709 O TYR A 86 -4.953 12.345 -1.479 1.00 0.00 O ATOM 710 CB TYR A 86 -5.061 12.386 -4.768 1.00 0.00 C ATOM 711 CG TYR A 86 -4.870 11.546 -6.059 1.00 0.00 C ATOM 712 CD1 TYR A 86 -3.629 11.290 -6.659 1.00 0.00 C ATOM 713 CD2 TYR A 86 -6.030 11.086 -6.694 1.00 0.00 C ATOM 714 CE1 TYR A 86 -3.553 10.602 -7.866 1.00 0.00 C ATOM 715 CE2 TYR A 86 -5.953 10.414 -7.913 1.00 0.00 C ATOM 716 CZ TYR A 86 -4.714 10.168 -8.493 1.00 0.00 C ATOM 717 OH TYR A 86 -4.633 9.481 -9.677 1.00 0.00 O ATOM 0 H TYR A 86 -3.743 10.575 -3.001 1.00 0.00 H new ATOM 0 HA TYR A 86 -3.255 13.284 -4.133 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.923 11.964 -4.251 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.343 13.388 -5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.723 11.630 -6.180 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.993 11.253 -6.235 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -2.591 10.405 -8.316 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.856 10.085 -8.406 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.535 9.248 -9.983 1.00 0.00 H new ATOM 718 N ASP A 87 -4.662 14.443 -2.244 1.00 0.00 N ATOM 719 CA ASP A 87 -5.240 15.103 -1.034 1.00 0.00 C ATOM 720 C ASP A 87 -6.787 14.910 -0.864 1.00 0.00 C ATOM 721 O ASP A 87 -7.451 14.261 -1.679 1.00 0.00 O ATOM 722 CB ASP A 87 -4.867 16.623 -1.096 1.00 0.00 C ATOM 723 CG ASP A 87 -3.379 16.997 -1.120 1.00 0.00 C ATOM 724 OD1 ASP A 87 -2.654 16.691 -0.146 1.00 0.00 O ATOM 725 OD2 ASP A 87 -2.931 17.603 -2.118 1.00 0.00 O ATOM 0 H ASP A 87 -4.360 15.097 -2.967 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.811 14.622 -0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.332 17.045 -1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.321 17.114 -0.236 1.00 0.00 H new ATOM 726 N THR A 88 -7.369 15.518 0.192 1.00 0.00 N ATOM 727 CA THR A 88 -8.847 15.740 0.314 1.00 0.00 C ATOM 728 C THR A 88 -9.568 16.414 -0.898 1.00 0.00 C ATOM 729 O THR A 88 -10.675 15.998 -1.259 1.00 0.00 O ATOM 730 CB THR A 88 -9.255 16.372 1.688 1.00 0.00 C ATOM 731 OG1 THR A 88 -9.214 17.797 1.643 1.00 0.00 O ATOM 732 CG2 THR A 88 -8.519 15.903 2.960 1.00 0.00 C ATOM 0 H THR A 88 -6.839 15.872 0.988 1.00 0.00 H new ATOM 0 HA THR A 88 -9.238 14.723 0.284 1.00 0.00 H new ATOM 0 HB THR A 88 -10.268 15.986 1.799 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.476 18.159 2.515 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.915 16.433 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.667 14.831 3.092 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.454 16.113 2.862 1.00 0.00 H new ATOM 733 N LYS A 89 -8.920 17.404 -1.541 1.00 0.00 N ATOM 734 CA LYS A 89 -9.329 17.927 -2.872 1.00 0.00 C ATOM 735 C LYS A 89 -9.177 16.917 -4.063 1.00 0.00 C ATOM 736 O LYS A 89 -10.024 16.959 -4.961 1.00 0.00 O ATOM 737 CB LYS A 89 -8.533 19.245 -3.095 1.00 0.00 C ATOM 738 CG LYS A 89 -8.955 20.106 -4.310 1.00 0.00 C ATOM 739 CD LYS A 89 -8.261 21.483 -4.400 1.00 0.00 C ATOM 740 CE LYS A 89 -6.748 21.430 -4.693 1.00 0.00 C ATOM 741 NZ LYS A 89 -6.166 22.783 -4.746 1.00 0.00 N ATOM 0 H LYS A 89 -8.097 17.868 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.404 18.107 -2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.623 19.855 -2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.478 18.993 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.745 19.549 -5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.033 20.260 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.747 22.068 -5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.416 22.014 -3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.246 20.846 -3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.576 20.920 -5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.147 22.715 -4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.630 23.331 -5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.310 23.259 -3.832 1.00 0.00 H new ATOM 742 N GLY A 90 -8.131 16.057 -4.104 1.00 0.00 N ATOM 743 CA GLY A 90 -7.854 15.173 -5.264 1.00 0.00 C ATOM 744 C GLY A 90 -6.690 15.569 -6.215 1.00 0.00 C ATOM 745 O GLY A 90 -6.581 14.965 -7.285 1.00 0.00 O ATOM 0 H GLY A 90 -7.461 15.956 -3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.649 14.173 -4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.765 15.106 -5.859 1.00 0.00 H new ATOM 746 N LYS A 91 -5.812 16.517 -5.829 1.00 0.00 N ATOM 747 CA LYS A 91 -4.612 16.906 -6.616 1.00 0.00 C ATOM 748 C LYS A 91 -3.414 16.000 -6.209 1.00 0.00 C ATOM 749 O LYS A 91 -3.132 15.830 -5.017 1.00 0.00 O ATOM 750 CB LYS A 91 -4.334 18.409 -6.341 1.00 0.00 C ATOM 751 CG LYS A 91 -3.243 19.054 -7.228 1.00 0.00 C ATOM 752 CD LYS A 91 -2.996 20.559 -6.973 1.00 0.00 C ATOM 753 CE LYS A 91 -2.207 20.930 -5.697 1.00 0.00 C ATOM 754 NZ LYS A 91 -3.001 20.890 -4.457 1.00 0.00 N ATOM 0 H LYS A 91 -5.911 17.040 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.769 16.769 -7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.263 18.964 -6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.043 18.522 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.307 18.517 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.520 18.919 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.463 20.966 -7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.963 21.060 -6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.363 20.248 -5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.795 21.932 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.625 21.586 -3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.993 21.117 -4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.946 19.939 -4.040 1.00 0.00 H new ATOM 755 N ASN A 92 -2.705 15.449 -7.214 1.00 0.00 N ATOM 756 CA ASN A 92 -1.576 14.502 -6.990 1.00 0.00 C ATOM 757 C ASN A 92 -0.351 15.140 -6.257 1.00 0.00 C ATOM 758 O ASN A 92 0.004 16.307 -6.443 1.00 0.00 O ATOM 759 CB ASN A 92 -1.238 13.813 -8.348 1.00 0.00 C ATOM 760 CG ASN A 92 -0.034 12.842 -8.379 1.00 0.00 C ATOM 761 OD1 ASN A 92 0.988 13.113 -9.008 1.00 0.00 O ATOM 762 ND2 ASN A 92 -0.115 11.714 -7.690 1.00 0.00 N ATOM 0 H ASN A 92 -2.890 15.641 -8.199 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.886 13.732 -6.284 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.121 13.264 -8.675 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.058 14.595 -9.086 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.672 11.065 -7.679 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.964 11.494 -7.170 1.00 0.00 H new ATOM 763 N VAL A 93 0.241 14.308 -5.386 1.00 0.00 N ATOM 764 CA VAL A 93 1.210 14.724 -4.336 1.00 0.00 C ATOM 765 C VAL A 93 2.562 14.002 -4.605 1.00 0.00 C ATOM 766 O VAL A 93 3.540 14.623 -5.032 1.00 0.00 O ATOM 767 CB VAL A 93 0.609 14.523 -2.890 1.00 0.00 C ATOM 768 CG1 VAL A 93 1.529 15.043 -1.768 1.00 0.00 C ATOM 769 CG2 VAL A 93 -0.784 15.152 -2.671 1.00 0.00 C ATOM 0 H VAL A 93 0.062 13.304 -5.384 1.00 0.00 H new ATOM 0 HA VAL A 93 1.410 15.794 -4.382 1.00 0.00 H new ATOM 0 HB VAL A 93 0.515 13.439 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.055 14.874 -0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.481 14.513 -1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.702 16.110 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.113 14.961 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.728 16.227 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.496 14.712 -3.369 1.00 0.00 H new ATOM 770 N LEU A 94 2.581 12.695 -4.314 1.00 0.00 N ATOM 771 CA LEU A 94 3.799 11.848 -4.295 1.00 0.00 C ATOM 772 C LEU A 94 3.506 10.544 -5.090 1.00 0.00 C ATOM 773 O LEU A 94 2.509 9.860 -4.838 1.00 0.00 O ATOM 774 CB LEU A 94 4.180 11.582 -2.808 1.00 0.00 C ATOM 775 CG LEU A 94 5.470 10.757 -2.538 1.00 0.00 C ATOM 776 CD1 LEU A 94 6.753 11.507 -2.954 1.00 0.00 C ATOM 777 CD2 LEU A 94 5.558 10.354 -1.053 1.00 0.00 C ATOM 0 H LEU A 94 1.734 12.177 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 94 4.649 12.335 -4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.286 12.546 -2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.345 11.067 -2.333 1.00 0.00 H new ATOM 0 HG LEU A 94 5.400 9.861 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.623 10.885 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.715 11.729 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.828 12.438 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.468 9.778 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.577 11.250 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.691 9.749 -0.788 1.00 0.00 H new ATOM 778 N GLU A 95 4.415 10.207 -6.028 1.00 0.00 N ATOM 779 CA GLU A 95 4.372 8.929 -6.801 1.00 0.00 C ATOM 780 C GLU A 95 5.723 8.167 -6.660 1.00 0.00 C ATOM 781 O GLU A 95 6.798 8.785 -6.656 1.00 0.00 O ATOM 782 CB GLU A 95 4.046 9.162 -8.301 1.00 0.00 C ATOM 783 CG GLU A 95 2.620 9.682 -8.578 1.00 0.00 C ATOM 784 CD GLU A 95 2.253 9.676 -10.062 1.00 0.00 C ATOM 785 OE1 GLU A 95 1.928 8.593 -10.599 1.00 0.00 O ATOM 786 OE2 GLU A 95 2.278 10.753 -10.698 1.00 0.00 O ATOM 0 H GLU A 95 5.202 10.806 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 95 3.568 8.324 -6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.763 9.875 -8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.187 8.225 -8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.904 9.068 -8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.529 10.697 -8.192 1.00 0.00 H new ATOM 787 N LYS A 96 5.666 6.821 -6.567 1.00 0.00 N ATOM 788 CA LYS A 96 6.883 5.970 -6.401 1.00 0.00 C ATOM 789 C LYS A 96 6.587 4.499 -6.839 1.00 0.00 C ATOM 790 O LYS A 96 5.466 4.003 -6.731 1.00 0.00 O ATOM 791 CB LYS A 96 7.433 6.084 -4.946 1.00 0.00 C ATOM 792 CG LYS A 96 8.821 5.440 -4.717 1.00 0.00 C ATOM 793 CD LYS A 96 9.378 5.625 -3.291 1.00 0.00 C ATOM 794 CE LYS A 96 10.751 4.968 -3.046 1.00 0.00 C ATOM 795 NZ LYS A 96 11.858 5.660 -3.736 1.00 0.00 N ATOM 0 H LYS A 96 4.794 6.292 -6.603 1.00 0.00 H new ATOM 0 HA LYS A 96 7.673 6.332 -7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.490 7.139 -4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.718 5.620 -4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.754 4.374 -4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.528 5.866 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.458 6.692 -3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.662 5.214 -2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.953 4.951 -1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.715 3.931 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.735 5.544 -3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.985 5.252 -4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.635 6.672 -3.822 1.00 0.00 H new ATOM 796 N ILE A 97 7.624 3.804 -7.342 1.00 0.00 N ATOM 797 CA ILE A 97 7.496 2.478 -8.028 1.00 0.00 C ATOM 798 C ILE A 97 7.881 1.333 -7.024 1.00 0.00 C ATOM 799 O ILE A 97 8.681 1.509 -6.097 1.00 0.00 O ATOM 800 CB ILE A 97 8.281 2.480 -9.398 1.00 0.00 C ATOM 801 CG1 ILE A 97 8.047 3.764 -10.268 1.00 0.00 C ATOM 802 CG2 ILE A 97 7.954 1.213 -10.235 1.00 0.00 C ATOM 803 CD1 ILE A 97 8.844 3.910 -11.574 1.00 0.00 C ATOM 0 H ILE A 97 8.586 4.138 -7.290 1.00 0.00 H new ATOM 0 HA ILE A 97 6.463 2.282 -8.314 1.00 0.00 H new ATOM 0 HB ILE A 97 9.335 2.478 -9.120 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.987 3.809 -10.518 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.265 4.632 -9.646 1.00 0.00 H new ATOM 0 HG21 ILE A 97 8.509 1.243 -11.172 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.238 0.323 -9.674 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.885 1.183 -10.447 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.574 4.846 -12.062 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.911 3.912 -11.351 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.613 3.076 -12.236 1.00 0.00 H new ATOM 804 N PHE A 98 7.228 0.163 -7.178 1.00 0.00 N ATOM 805 CA PHE A 98 7.282 -0.981 -6.211 1.00 0.00 C ATOM 806 C PHE A 98 7.142 -2.335 -6.979 1.00 0.00 C ATOM 807 O PHE A 98 6.719 -2.362 -8.140 1.00 0.00 O ATOM 808 CB PHE A 98 6.135 -0.808 -5.168 1.00 0.00 C ATOM 809 CG PHE A 98 6.447 0.201 -4.047 1.00 0.00 C ATOM 810 CD1 PHE A 98 6.192 1.564 -4.236 1.00 0.00 C ATOM 811 CD2 PHE A 98 7.022 -0.224 -2.845 1.00 0.00 C ATOM 812 CE1 PHE A 98 6.549 2.490 -3.264 1.00 0.00 C ATOM 813 CE2 PHE A 98 7.327 0.698 -1.851 1.00 0.00 C ATOM 814 CZ PHE A 98 7.104 2.058 -2.064 1.00 0.00 C ATOM 0 H PHE A 98 6.636 -0.028 -7.986 1.00 0.00 H new ATOM 0 HA PHE A 98 8.240 -0.990 -5.691 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.232 -0.489 -5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.918 -1.777 -4.719 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.714 1.899 -5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.230 -1.272 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.396 3.544 -3.440 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.738 0.360 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.362 2.775 -1.298 1.00 0.00 H new ATOM 815 N ASP A 99 7.524 -3.484 -6.358 1.00 0.00 N ATOM 816 CA ASP A 99 7.567 -4.793 -7.075 1.00 0.00 C ATOM 817 C ASP A 99 7.304 -5.970 -6.098 1.00 0.00 C ATOM 818 O ASP A 99 8.279 -6.418 -5.480 1.00 0.00 O ATOM 819 CB ASP A 99 8.919 -5.026 -7.832 1.00 0.00 C ATOM 820 CG ASP A 99 9.255 -4.106 -9.014 1.00 0.00 C ATOM 821 OD1 ASP A 99 9.730 -2.972 -8.780 1.00 0.00 O ATOM 822 OD2 ASP A 99 9.065 -4.520 -10.179 1.00 0.00 O ATOM 0 H ASP A 99 7.803 -3.533 -5.378 1.00 0.00 H new ATOM 0 HA ASP A 99 6.774 -4.757 -7.822 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.727 -4.943 -7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.924 -6.053 -8.197 1.00 0.00 H new ATOM 823 N LEU A 100 6.075 -6.549 -5.971 1.00 0.00 N ATOM 824 CA LEU A 100 5.911 -7.781 -5.147 1.00 0.00 C ATOM 825 C LEU A 100 6.205 -9.051 -5.988 1.00 0.00 C ATOM 826 O LEU A 100 5.437 -9.434 -6.880 1.00 0.00 O ATOM 827 CB LEU A 100 4.540 -7.836 -4.432 1.00 0.00 C ATOM 828 CG LEU A 100 4.430 -7.153 -3.045 1.00 0.00 C ATOM 829 CD1 LEU A 100 5.178 -7.912 -1.930 1.00 0.00 C ATOM 830 CD2 LEU A 100 4.794 -5.660 -3.046 1.00 0.00 C ATOM 0 H LEU A 100 5.221 -6.202 -6.407 1.00 0.00 H new ATOM 0 HA LEU A 100 6.652 -7.746 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.799 -7.383 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.264 -8.884 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 100 3.366 -7.205 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.060 -7.380 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.766 -8.917 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.237 -7.976 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.691 -5.260 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.824 -5.537 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.126 -5.123 -3.720 1.00 0.00 H new ATOM 831 N LYS A 101 7.346 -9.680 -5.656 1.00 0.00 N ATOM 832 CA LYS A 101 7.847 -10.918 -6.311 1.00 0.00 C ATOM 833 C LYS A 101 8.009 -12.033 -5.240 1.00 0.00 C ATOM 834 O LYS A 101 8.360 -11.767 -4.087 1.00 0.00 O ATOM 835 CB LYS A 101 9.205 -10.638 -7.014 1.00 0.00 C ATOM 836 CG LYS A 101 9.224 -9.586 -8.149 1.00 0.00 C ATOM 837 CD LYS A 101 8.428 -9.982 -9.410 1.00 0.00 C ATOM 838 CE LYS A 101 8.402 -8.906 -10.513 1.00 0.00 C ATOM 839 NZ LYS A 101 9.686 -8.752 -11.219 1.00 0.00 N ATOM 0 H LYS A 101 7.961 -9.344 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 101 7.133 -11.247 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.918 -10.323 -6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.571 -11.580 -7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.824 -8.648 -7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.259 -9.398 -8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.855 -10.896 -9.822 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.403 -10.212 -9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.627 -9.159 -11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.124 -7.950 -10.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.596 -8.013 -11.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.425 -8.481 -10.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.944 -9.653 -11.671 1.00 0.00 H new ATOM 840 N ILE A 102 7.766 -13.294 -5.635 1.00 0.00 N ATOM 841 CA ILE A 102 7.839 -14.475 -4.718 1.00 0.00 C ATOM 842 C ILE A 102 9.168 -15.238 -5.021 1.00 0.00 C ATOM 843 O ILE A 102 9.555 -15.449 -6.178 1.00 0.00 O ATOM 844 CB ILE A 102 6.522 -15.323 -4.827 1.00 0.00 C ATOM 845 CG1 ILE A 102 5.247 -14.522 -4.380 1.00 0.00 C ATOM 846 CG2 ILE A 102 6.594 -16.713 -4.150 1.00 0.00 C ATOM 847 CD1 ILE A 102 4.391 -15.021 -3.197 1.00 0.00 C ATOM 0 H ILE A 102 7.513 -13.537 -6.593 1.00 0.00 H new ATOM 0 HA ILE A 102 7.883 -14.188 -3.667 1.00 0.00 H new ATOM 0 HB ILE A 102 6.423 -15.528 -5.893 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.570 -13.509 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.590 -14.451 -5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 102 5.642 -17.228 -4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.388 -17.301 -4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.804 -16.590 -3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.556 -14.338 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.008 -16.017 -3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.003 -15.060 -2.296 1.00 0.00 H new ATOM 848 N GLN A 103 9.852 -15.657 -3.940 1.00 0.00 N ATOM 849 CA GLN A 103 11.242 -16.195 -3.995 1.00 0.00 C ATOM 850 C GLN A 103 11.341 -17.601 -4.658 1.00 0.00 C ATOM 851 O GLN A 103 10.481 -18.469 -4.472 1.00 0.00 O ATOM 852 CB GLN A 103 11.849 -16.227 -2.562 1.00 0.00 C ATOM 853 CG GLN A 103 12.189 -14.836 -1.976 1.00 0.00 C ATOM 854 CD GLN A 103 12.642 -14.864 -0.511 1.00 0.00 C ATOM 855 OE1 GLN A 103 11.854 -14.646 0.406 1.00 0.00 O ATOM 856 NE2 GLN A 103 13.920 -15.118 -0.258 1.00 0.00 N ATOM 0 H GLN A 103 9.463 -15.636 -2.997 1.00 0.00 H new ATOM 0 HA GLN A 103 11.815 -15.521 -4.632 1.00 0.00 H new ATOM 0 HB2 GLN A 103 11.146 -16.726 -1.895 1.00 0.00 H new ATOM 0 HB3 GLN A 103 12.756 -16.831 -2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 103 12.976 -14.383 -2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 103 11.312 -14.194 -2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 103 14.566 -15.298 -1.027 1.00 0.00 H new ATOM 0 HE22 GLN A 103 14.256 -15.134 0.705 1.00 0.00 H new ATOM 857 N GLU A 104 12.420 -17.784 -5.437 1.00 0.00 N ATOM 858 CA GLU A 104 12.712 -19.040 -6.171 1.00 0.00 C ATOM 859 C GLU A 104 14.235 -19.008 -6.481 1.00 0.00 C ATOM 860 O GLU A 104 14.683 -18.366 -7.434 1.00 0.00 O ATOM 861 CB GLU A 104 11.819 -19.317 -7.424 1.00 0.00 C ATOM 862 CG GLU A 104 11.260 -18.146 -8.276 1.00 0.00 C ATOM 863 CD GLU A 104 12.294 -17.244 -8.951 1.00 0.00 C ATOM 864 OE1 GLU A 104 12.827 -17.619 -10.018 1.00 0.00 O ATOM 865 OE2 GLU A 104 12.587 -16.153 -8.411 1.00 0.00 O ATOM 0 H GLU A 104 13.125 -17.061 -5.580 1.00 0.00 H new ATOM 0 HA GLU A 104 12.450 -19.893 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.396 -19.954 -8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.965 -19.903 -7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.614 -18.563 -9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.632 -17.527 -7.636 1.00 0.00 H new ATOM 866 N ARG A 105 15.018 -19.692 -5.622 1.00 0.00 N ATOM 867 CA ARG A 105 16.506 -19.732 -5.656 1.00 0.00 C ATOM 868 C ARG A 105 17.184 -18.354 -5.426 1.00 0.00 C ATOM 869 O ARG A 105 17.248 -17.527 -6.363 1.00 0.00 O ATOM 870 CB ARG A 105 17.155 -20.618 -6.760 1.00 0.00 C ATOM 871 CG ARG A 105 17.023 -20.180 -8.242 1.00 0.00 C ATOM 872 CD ARG A 105 17.929 -20.932 -9.237 1.00 0.00 C ATOM 873 NE ARG A 105 19.360 -20.567 -9.080 1.00 0.00 N ATOM 874 CZ ARG A 105 20.336 -20.908 -9.944 1.00 0.00 C ATOM 875 NH1 ARG A 105 20.128 -21.580 -11.075 1.00 0.00 N ATOM 876 NH2 ARG A 105 21.572 -20.544 -9.656 1.00 0.00 N ATOM 877 OXT ARG A 105 17.651 -18.098 -4.294 1.00 0.00 O ATOM 0 H ARG A 105 14.628 -20.249 -4.862 1.00 0.00 H new ATOM 0 HA ARG A 105 16.749 -20.306 -4.762 1.00 0.00 H new ATOM 0 HB2 ARG A 105 18.218 -20.701 -6.534 1.00 0.00 H new ATOM 0 HB3 ARG A 105 16.731 -21.618 -6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 105 15.986 -20.311 -8.551 1.00 0.00 H new ATOM 0 HG3 ARG A 105 17.244 -19.115 -8.309 1.00 0.00 H new ATOM 0 HD2 ARG A 105 17.812 -22.006 -9.092 1.00 0.00 H new ATOM 0 HD3 ARG A 105 17.609 -20.711 -10.255 1.00 0.00 H new ATOM 0 HE ARG A 105 19.622 -20.020 -8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 105 19.184 -21.868 -11.331 1.00 0.00 H new ATOM 0 HH12 ARG A 105 20.913 -21.806 -11.685 1.00 0.00 H new ATOM 0 HH21 ARG A 105 21.764 -20.021 -8.801 1.00 0.00 H new ATOM 0 HH22 ARG A 105 22.335 -20.786 -10.288 1.00 0.00 H new