USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 13 THR OG1 : rot -87:sc= -1.47! USER MOD Set 1.2: A 51 GLN : amide:sc= -3.59! C(o=-5.1!,f=-7.8!) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 46 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.022) USER MOD Set 3.1: A 41 ASN : amide:sc= -0.769 X(o=-0.41,f=-0.86) USER MOD Set 3.2: A 56 GLN :FLIP amide:sc= 0.36 X(o=-0.86,f=-0.41) USER MOD Single : A 15 THR OG1 : rot -143:sc= -2.05 USER MOD Single : A 20 SER OG : rot -35:sc= 0.742 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -113:sc= -7.19! (180deg=-13.7!) USER MOD Single : A 37 ASN : amide:sc= -0.858 X(o=-0.86,f=-0.71) USER MOD Single : A 38 LYS NZ :NH3+ -151:sc= 1.25 (180deg=0.399) USER MOD Single : A 39 ASN : amide:sc= -0.0844 X(o=-0.084,f=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0669 F(o=-0.92,f=-0.067) USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0362) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -0.076 14.019 -2.381 1.00 0.00 N ATOM 2 CA ILE A 6 0.817 14.561 -1.318 1.00 0.00 C ATOM 3 C ILE A 6 2.219 13.942 -1.499 1.00 0.00 C ATOM 4 O ILE A 6 2.332 12.774 -1.816 1.00 0.00 O ATOM 5 CB ILE A 6 0.208 14.193 0.071 1.00 0.00 C ATOM 6 CG1 ILE A 6 -0.457 15.433 0.694 1.00 0.00 C ATOM 7 CG2 ILE A 6 1.274 13.653 1.048 1.00 0.00 C ATOM 8 CD1 ILE A 6 -1.236 15.031 1.947 1.00 0.00 C ATOM 0 HA ILE A 6 0.905 15.646 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.529 13.407 -0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.301 16.174 0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.128 15.898 -0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.804 13.410 2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.730 12.756 0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.041 14.411 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.704 15.913 2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.005 14.306 1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.554 14.586 2.672 1.00 0.00 H new ATOM 20 N PRO A 7 3.283 14.689 -1.283 1.00 0.00 N ATOM 21 CA PRO A 7 4.654 14.131 -1.418 1.00 0.00 C ATOM 22 C PRO A 7 4.770 12.769 -0.715 1.00 0.00 C ATOM 23 O PRO A 7 4.655 12.661 0.489 1.00 0.00 O ATOM 24 CB PRO A 7 5.571 15.180 -0.773 1.00 0.00 C ATOM 25 CG PRO A 7 4.793 16.469 -0.762 1.00 0.00 C ATOM 26 CD PRO A 7 3.300 16.116 -0.902 1.00 0.00 C ATOM 0 HA PRO A 7 4.922 13.946 -2.458 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.849 14.885 0.239 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.496 15.289 -1.339 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.972 17.016 0.164 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.112 17.115 -1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.765 16.282 0.033 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.817 16.733 -1.659 1.00 0.00 H new ATOM 34 N ILE A 8 4.973 11.735 -1.478 1.00 0.00 N ATOM 35 CA ILE A 8 5.078 10.360 -0.926 1.00 0.00 C ATOM 36 C ILE A 8 5.823 10.325 0.430 1.00 0.00 C ATOM 37 O ILE A 8 5.657 9.398 1.194 1.00 0.00 O ATOM 38 CB ILE A 8 5.817 9.511 -1.965 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.642 8.039 -1.626 1.00 0.00 C ATOM 40 CG2 ILE A 8 7.287 9.878 -1.978 1.00 0.00 C ATOM 41 CD1 ILE A 8 6.352 7.177 -2.673 1.00 0.00 C ATOM 0 H ILE A 8 5.073 11.789 -2.492 1.00 0.00 H new ATOM 0 HA ILE A 8 4.079 9.970 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 8 5.404 9.701 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.049 7.834 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.582 7.788 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.807 9.271 -2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.397 10.932 -2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.716 9.695 -0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.223 6.123 -2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.925 7.373 -3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.415 7.420 -2.684 1.00 0.00 H new ATOM 53 N TRP A 9 6.649 11.302 0.737 1.00 0.00 N ATOM 54 CA TRP A 9 7.394 11.279 2.055 1.00 0.00 C ATOM 55 C TRP A 9 6.630 12.119 3.095 1.00 0.00 C ATOM 56 O TRP A 9 7.130 12.372 4.173 1.00 0.00 O ATOM 57 CB TRP A 9 8.822 11.862 1.873 1.00 0.00 C ATOM 58 CG TRP A 9 8.822 12.755 0.685 1.00 0.00 C ATOM 59 CD1 TRP A 9 8.416 14.043 0.673 1.00 0.00 C ATOM 60 CD2 TRP A 9 9.197 12.428 -0.675 1.00 0.00 C ATOM 61 NE1 TRP A 9 8.520 14.526 -0.614 1.00 0.00 N ATOM 62 CE2 TRP A 9 8.985 13.564 -1.484 1.00 0.00 C ATOM 63 CE3 TRP A 9 9.692 11.261 -1.277 1.00 0.00 C ATOM 64 CZ2 TRP A 9 9.243 13.543 -2.849 1.00 0.00 C ATOM 65 CZ3 TRP A 9 9.946 11.233 -2.652 1.00 0.00 C ATOM 66 CH2 TRP A 9 9.719 12.371 -3.436 1.00 0.00 C ATOM 0 H TRP A 9 6.842 12.109 0.143 1.00 0.00 H new ATOM 0 HA TRP A 9 7.470 10.247 2.399 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.120 12.416 2.763 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.545 11.057 1.741 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.068 14.602 1.529 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.282 15.479 -0.889 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.877 10.382 -0.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 9.077 14.425 -3.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.319 10.330 -3.111 1.00 0.00 H new ATOM 0 HH2 TRP A 9 9.913 12.341 -4.498 1.00 0.00 H new ATOM 77 N GLU A 10 5.434 12.561 2.777 1.00 0.00 N ATOM 78 CA GLU A 10 4.641 13.400 3.744 1.00 0.00 C ATOM 79 C GLU A 10 3.305 12.712 4.061 1.00 0.00 C ATOM 80 O GLU A 10 2.626 13.068 5.004 1.00 0.00 O ATOM 81 CB GLU A 10 4.375 14.778 3.111 1.00 0.00 C ATOM 82 CG GLU A 10 5.583 15.698 3.338 1.00 0.00 C ATOM 83 CD GLU A 10 5.568 16.218 4.778 1.00 0.00 C ATOM 84 OE1 GLU A 10 4.893 17.204 5.024 1.00 0.00 O ATOM 85 OE2 GLU A 10 6.230 15.621 5.610 1.00 0.00 O ATOM 0 H GLU A 10 4.969 12.378 1.888 1.00 0.00 H new ATOM 0 HA GLU A 10 5.205 13.520 4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.187 14.667 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.481 15.222 3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.508 15.154 3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.553 16.533 2.638 1.00 0.00 H new ATOM 92 N ARG A 11 2.924 11.733 3.289 1.00 0.00 N ATOM 93 CA ARG A 11 1.633 11.029 3.560 1.00 0.00 C ATOM 94 C ARG A 11 1.836 10.019 4.691 1.00 0.00 C ATOM 95 O ARG A 11 2.877 9.965 5.311 1.00 0.00 O ATOM 96 CB ARG A 11 1.132 10.299 2.295 1.00 0.00 C ATOM 97 CG ARG A 11 2.309 9.790 1.451 1.00 0.00 C ATOM 98 CD ARG A 11 3.187 8.828 2.268 1.00 0.00 C ATOM 99 NE ARG A 11 4.183 9.611 3.056 1.00 0.00 N ATOM 100 CZ ARG A 11 4.887 9.030 3.990 1.00 0.00 C ATOM 101 NH1 ARG A 11 4.728 7.757 4.233 1.00 0.00 N ATOM 102 NH2 ARG A 11 5.752 9.723 4.680 1.00 0.00 N ATOM 0 H ARG A 11 3.447 11.388 2.484 1.00 0.00 H new ATOM 0 HA ARG A 11 0.885 11.766 3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.497 9.461 2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.518 10.975 1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.933 9.282 0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.908 10.633 1.107 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.566 8.231 2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.699 8.133 1.603 1.00 0.00 H new ATOM 0 HE ARG A 11 4.315 10.604 2.864 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.053 7.215 3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.279 7.304 4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.877 10.717 4.489 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.302 9.270 5.410 1.00 0.00 H new ATOM 116 N TYR A 12 0.835 9.222 4.959 1.00 0.00 N ATOM 117 CA TYR A 12 0.935 8.194 6.042 1.00 0.00 C ATOM 118 C TYR A 12 0.798 6.808 5.410 1.00 0.00 C ATOM 119 O TYR A 12 1.008 5.798 6.051 1.00 0.00 O ATOM 120 CB TYR A 12 -0.196 8.413 7.048 1.00 0.00 C ATOM 121 CG TYR A 12 -1.479 8.691 6.300 1.00 0.00 C ATOM 122 CD1 TYR A 12 -1.675 9.935 5.687 1.00 0.00 C ATOM 123 CD2 TYR A 12 -2.469 7.706 6.216 1.00 0.00 C ATOM 124 CE1 TYR A 12 -2.862 10.193 4.991 1.00 0.00 C ATOM 125 CE2 TYR A 12 -3.654 7.962 5.520 1.00 0.00 C ATOM 126 CZ TYR A 12 -3.852 9.206 4.907 1.00 0.00 C ATOM 127 OH TYR A 12 -5.022 9.459 4.221 1.00 0.00 O ATOM 0 H TYR A 12 -0.059 9.239 4.469 1.00 0.00 H new ATOM 0 HA TYR A 12 1.893 8.275 6.555 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.313 7.532 7.680 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.043 9.248 7.706 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.911 10.695 5.751 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.318 6.747 6.689 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.014 11.153 4.519 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.417 7.201 5.455 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.601 8.669 4.259 1.00 0.00 H new ATOM 137 N THR A 13 0.451 6.763 4.149 1.00 0.00 N ATOM 138 CA THR A 13 0.293 5.456 3.441 1.00 0.00 C ATOM 139 C THR A 13 0.638 5.660 1.957 1.00 0.00 C ATOM 140 O THR A 13 0.693 6.775 1.477 1.00 0.00 O ATOM 141 CB THR A 13 -1.167 4.974 3.579 1.00 0.00 C ATOM 142 OG1 THR A 13 -2.027 6.104 3.553 1.00 0.00 O ATOM 143 CG2 THR A 13 -1.400 4.207 4.902 1.00 0.00 C ATOM 0 H THR A 13 0.268 7.585 3.573 1.00 0.00 H new ATOM 0 HA THR A 13 0.956 4.707 3.874 1.00 0.00 H new ATOM 0 HB THR A 13 -1.377 4.296 2.751 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.122 6.464 4.460 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.440 3.886 4.958 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.748 3.334 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.176 4.860 5.745 1.00 0.00 H new ATOM 151 N LEU A 14 0.890 4.590 1.233 1.00 0.00 N ATOM 152 CA LEU A 14 1.257 4.712 -0.222 1.00 0.00 C ATOM 153 C LEU A 14 0.155 4.117 -1.105 1.00 0.00 C ATOM 154 O LEU A 14 -0.481 3.143 -0.760 1.00 0.00 O ATOM 155 CB LEU A 14 2.574 3.949 -0.475 1.00 0.00 C ATOM 156 CG LEU A 14 3.779 4.863 -0.229 1.00 0.00 C ATOM 157 CD1 LEU A 14 3.941 5.143 1.268 1.00 0.00 C ATOM 158 CD2 LEU A 14 5.034 4.179 -0.757 1.00 0.00 C ATOM 0 H LEU A 14 0.857 3.634 1.587 1.00 0.00 H new ATOM 0 HA LEU A 14 1.377 5.767 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.629 3.080 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.595 3.577 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 14 3.622 5.810 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.801 5.794 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.043 5.631 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.094 4.204 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.898 4.822 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.178 3.232 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.925 3.993 -1.826 1.00 0.00 H new ATOM 170 N THR A 15 -0.057 4.699 -2.256 1.00 0.00 N ATOM 171 CA THR A 15 -1.098 4.179 -3.186 1.00 0.00 C ATOM 172 C THR A 15 -0.527 3.041 -4.017 1.00 0.00 C ATOM 173 O THR A 15 0.592 2.610 -3.818 1.00 0.00 O ATOM 174 CB THR A 15 -1.543 5.289 -4.129 1.00 0.00 C ATOM 175 OG1 THR A 15 -0.406 5.874 -4.739 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.307 6.348 -3.349 1.00 0.00 C ATOM 0 H THR A 15 0.450 5.517 -2.592 1.00 0.00 H new ATOM 0 HA THR A 15 -1.945 3.822 -2.600 1.00 0.00 H new ATOM 0 HB THR A 15 -2.193 4.872 -4.898 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.548 6.839 -4.838 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.624 7.141 -4.026 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.183 5.896 -2.884 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.662 6.767 -2.577 1.00 0.00 H new ATOM 184 N ILE A 16 -1.279 2.570 -4.971 1.00 0.00 N ATOM 185 CA ILE A 16 -0.772 1.487 -5.835 1.00 0.00 C ATOM 186 C ILE A 16 0.412 2.050 -6.623 1.00 0.00 C ATOM 187 O ILE A 16 1.394 1.380 -6.861 1.00 0.00 O ATOM 188 CB ILE A 16 -1.875 1.057 -6.816 1.00 0.00 C ATOM 189 CG1 ILE A 16 -2.947 0.213 -6.085 1.00 0.00 C ATOM 190 CG2 ILE A 16 -1.253 0.258 -7.972 1.00 0.00 C ATOM 191 CD1 ILE A 16 -2.544 -1.267 -6.041 1.00 0.00 C ATOM 0 H ILE A 16 -2.223 2.893 -5.185 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.471 0.625 -5.240 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.361 1.945 -7.221 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.081 0.588 -5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.906 0.318 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.036 -0.046 -8.667 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.526 0.880 -8.494 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.755 -0.627 -7.576 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.314 -1.838 -5.522 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.435 -1.645 -7.058 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.597 -1.371 -5.512 1.00 0.00 H new ATOM 203 N GLU A 17 0.307 3.286 -7.036 1.00 0.00 N ATOM 204 CA GLU A 17 1.413 3.907 -7.816 1.00 0.00 C ATOM 205 C GLU A 17 2.605 4.157 -6.891 1.00 0.00 C ATOM 206 O GLU A 17 3.717 3.772 -7.194 1.00 0.00 O ATOM 207 CB GLU A 17 0.952 5.223 -8.464 1.00 0.00 C ATOM 208 CG GLU A 17 0.195 6.089 -7.456 1.00 0.00 C ATOM 209 CD GLU A 17 -0.304 7.357 -8.152 1.00 0.00 C ATOM 210 OE1 GLU A 17 -0.918 7.232 -9.199 1.00 0.00 O ATOM 211 OE2 GLU A 17 -0.061 8.432 -7.628 1.00 0.00 O ATOM 0 H GLU A 17 -0.497 3.890 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 17 1.710 3.227 -8.614 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.816 5.769 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.311 5.008 -9.319 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.646 5.533 -7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.847 6.351 -6.622 1.00 0.00 H new ATOM 218 N GLU A 18 2.397 4.775 -5.756 1.00 0.00 N ATOM 219 CA GLU A 18 3.539 5.002 -4.841 1.00 0.00 C ATOM 220 C GLU A 18 4.028 3.640 -4.351 1.00 0.00 C ATOM 221 O GLU A 18 5.206 3.421 -4.179 1.00 0.00 O ATOM 222 CB GLU A 18 3.106 5.860 -3.643 1.00 0.00 C ATOM 223 CG GLU A 18 2.543 7.214 -4.103 1.00 0.00 C ATOM 224 CD GLU A 18 3.482 7.867 -5.119 1.00 0.00 C ATOM 225 OE1 GLU A 18 3.432 7.481 -6.275 1.00 0.00 O ATOM 226 OE2 GLU A 18 4.235 8.741 -4.725 1.00 0.00 O ATOM 0 H GLU A 18 1.495 5.126 -5.432 1.00 0.00 H new ATOM 0 HA GLU A 18 4.335 5.530 -5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.351 5.327 -3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.958 6.023 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.558 7.073 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.413 7.872 -3.243 1.00 0.00 H new ATOM 233 N ALA A 19 3.130 2.715 -4.141 1.00 0.00 N ATOM 234 CA ALA A 19 3.560 1.366 -3.683 1.00 0.00 C ATOM 235 C ALA A 19 4.324 0.676 -4.806 1.00 0.00 C ATOM 236 O ALA A 19 5.390 0.153 -4.610 1.00 0.00 O ATOM 237 CB ALA A 19 2.346 0.521 -3.307 1.00 0.00 C ATOM 0 H ALA A 19 2.125 2.835 -4.266 1.00 0.00 H new ATOM 0 HA ALA A 19 4.199 1.476 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.677 -0.463 -2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.797 1.011 -2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.696 0.411 -4.175 1.00 0.00 H new ATOM 243 N SER A 20 3.793 0.655 -5.989 1.00 0.00 N ATOM 244 CA SER A 20 4.529 -0.016 -7.088 1.00 0.00 C ATOM 245 C SER A 20 5.918 0.626 -7.249 1.00 0.00 C ATOM 246 O SER A 20 6.874 -0.033 -7.581 1.00 0.00 O ATOM 247 CB SER A 20 3.728 0.100 -8.374 1.00 0.00 C ATOM 248 OG SER A 20 3.725 1.452 -8.811 1.00 0.00 O ATOM 0 H SER A 20 2.895 1.066 -6.242 1.00 0.00 H new ATOM 0 HA SER A 20 4.664 -1.072 -6.854 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.160 -0.541 -9.143 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.706 -0.243 -8.211 1.00 0.00 H new ATOM 0 HG SER A 20 3.705 2.047 -8.033 1.00 0.00 H new ATOM 254 N LYS A 21 6.053 1.900 -7.005 1.00 0.00 N ATOM 255 CA LYS A 21 7.406 2.531 -7.124 1.00 0.00 C ATOM 256 C LYS A 21 8.206 2.235 -5.847 1.00 0.00 C ATOM 257 O LYS A 21 9.293 1.697 -5.874 1.00 0.00 O ATOM 258 CB LYS A 21 7.264 4.043 -7.294 1.00 0.00 C ATOM 259 CG LYS A 21 8.615 4.629 -7.720 1.00 0.00 C ATOM 260 CD LYS A 21 8.599 6.163 -7.589 1.00 0.00 C ATOM 261 CE LYS A 21 8.938 6.581 -6.152 1.00 0.00 C ATOM 262 NZ LYS A 21 9.078 8.063 -6.091 1.00 0.00 N ATOM 0 H LYS A 21 5.298 2.529 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 21 7.923 2.123 -7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.504 4.267 -8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.935 4.497 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.410 4.213 -7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.832 4.348 -8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.318 6.601 -8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.617 6.548 -7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.155 6.250 -5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.863 6.103 -5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.308 8.350 -5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.840 8.366 -6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.184 8.508 -6.381 1.00 0.00 H new ATOM 276 N TYR A 22 7.646 2.602 -4.733 1.00 0.00 N ATOM 277 CA TYR A 22 8.290 2.383 -3.398 1.00 0.00 C ATOM 278 C TYR A 22 8.315 0.878 -3.092 1.00 0.00 C ATOM 279 O TYR A 22 9.350 0.274 -2.893 1.00 0.00 O ATOM 280 CB TYR A 22 7.403 3.106 -2.376 1.00 0.00 C ATOM 281 CG TYR A 22 8.146 3.480 -1.116 1.00 0.00 C ATOM 282 CD1 TYR A 22 8.228 2.568 -0.060 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.698 4.761 -0.982 1.00 0.00 C ATOM 284 CE1 TYR A 22 8.865 2.930 1.131 1.00 0.00 C ATOM 285 CE2 TYR A 22 9.343 5.125 0.207 1.00 0.00 C ATOM 286 CZ TYR A 22 9.424 4.209 1.266 1.00 0.00 C ATOM 287 OH TYR A 22 10.053 4.566 2.441 1.00 0.00 O ATOM 0 H TYR A 22 6.737 3.061 -4.685 1.00 0.00 H new ATOM 0 HA TYR A 22 9.313 2.757 -3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.993 4.007 -2.831 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.559 2.467 -2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.799 1.582 -0.164 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.626 5.468 -1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.926 2.225 1.947 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.777 6.109 0.308 1.00 0.00 H new ATOM 0 HH TYR A 22 10.385 5.485 2.368 1.00 0.00 H new ATOM 297 N PHE A 23 7.153 0.290 -3.075 1.00 0.00 N ATOM 298 CA PHE A 23 6.997 -1.167 -2.813 1.00 0.00 C ATOM 299 C PHE A 23 6.933 -1.896 -4.152 1.00 0.00 C ATOM 300 O PHE A 23 5.893 -2.370 -4.552 1.00 0.00 O ATOM 301 CB PHE A 23 5.694 -1.413 -2.037 1.00 0.00 C ATOM 302 CG PHE A 23 5.904 -1.077 -0.584 1.00 0.00 C ATOM 303 CD1 PHE A 23 6.406 -2.046 0.287 1.00 0.00 C ATOM 304 CD2 PHE A 23 5.611 0.206 -0.115 1.00 0.00 C ATOM 305 CE1 PHE A 23 6.617 -1.736 1.632 1.00 0.00 C ATOM 306 CE2 PHE A 23 5.820 0.525 1.231 1.00 0.00 C ATOM 307 CZ PHE A 23 6.326 -0.447 2.108 1.00 0.00 C ATOM 0 H PHE A 23 6.273 0.779 -3.238 1.00 0.00 H new ATOM 0 HA PHE A 23 7.839 -1.533 -2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.891 -0.802 -2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.388 -2.454 -2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.631 -3.036 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.223 0.952 -0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.004 -2.487 2.306 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.593 1.516 1.594 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.491 -0.204 3.147 1.00 0.00 H new ATOM 317 N ARG A 24 8.019 -1.944 -4.869 1.00 0.00 N ATOM 318 CA ARG A 24 8.005 -2.620 -6.199 1.00 0.00 C ATOM 319 C ARG A 24 7.454 -4.033 -6.071 1.00 0.00 C ATOM 320 O ARG A 24 8.182 -5.002 -5.982 1.00 0.00 O ATOM 321 CB ARG A 24 9.419 -2.655 -6.773 1.00 0.00 C ATOM 322 CG ARG A 24 9.817 -1.238 -7.235 1.00 0.00 C ATOM 323 CD ARG A 24 9.317 -0.971 -8.670 1.00 0.00 C ATOM 324 NE ARG A 24 10.350 -1.415 -9.669 1.00 0.00 N ATOM 325 CZ ARG A 24 11.557 -0.914 -9.684 1.00 0.00 C ATOM 326 NH1 ARG A 24 11.865 0.094 -8.914 1.00 0.00 N ATOM 327 NH2 ARG A 24 12.450 -1.399 -10.502 1.00 0.00 N ATOM 0 H ARG A 24 8.917 -1.545 -4.594 1.00 0.00 H new ATOM 0 HA ARG A 24 7.359 -2.059 -6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.121 -3.015 -6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.466 -3.350 -7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.397 -0.497 -6.555 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.901 -1.129 -7.196 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.381 -1.503 -8.842 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.108 0.091 -8.799 1.00 0.00 H new ATOM 0 HE ARG A 24 10.101 -2.128 -10.355 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.161 0.496 -8.295 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.809 0.479 -8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.205 -2.167 -11.127 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.393 -1.010 -10.516 1.00 0.00 H new ATOM 341 N ILE A 25 6.157 -4.138 -6.076 1.00 0.00 N ATOM 342 CA ILE A 25 5.477 -5.457 -5.967 1.00 0.00 C ATOM 343 C ILE A 25 4.561 -5.617 -7.182 1.00 0.00 C ATOM 344 O ILE A 25 4.297 -4.669 -7.895 1.00 0.00 O ATOM 345 CB ILE A 25 4.619 -5.464 -4.699 1.00 0.00 C ATOM 346 CG1 ILE A 25 5.489 -5.303 -3.437 1.00 0.00 C ATOM 347 CG2 ILE A 25 3.824 -6.770 -4.616 1.00 0.00 C ATOM 348 CD1 ILE A 25 6.612 -6.342 -3.406 1.00 0.00 C ATOM 0 H ILE A 25 5.523 -3.343 -6.153 1.00 0.00 H new ATOM 0 HA ILE A 25 6.207 -6.265 -5.926 1.00 0.00 H new ATOM 0 HB ILE A 25 3.932 -4.620 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.916 -4.300 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.868 -5.408 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.216 -6.769 -3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.177 -6.858 -5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.513 -7.614 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.210 -6.205 -2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.181 -7.343 -3.407 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.246 -6.219 -4.284 1.00 0.00 H new ATOM 360 N GLY A 26 4.062 -6.796 -7.425 1.00 0.00 N ATOM 361 CA GLY A 26 3.156 -6.981 -8.593 1.00 0.00 C ATOM 362 C GLY A 26 1.990 -5.994 -8.484 1.00 0.00 C ATOM 363 O GLY A 26 1.135 -6.122 -7.630 1.00 0.00 O ATOM 0 H GLY A 26 4.240 -7.634 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.702 -6.817 -9.522 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.781 -8.004 -8.620 1.00 0.00 H new ATOM 367 N GLU A 27 1.952 -5.008 -9.339 1.00 0.00 N ATOM 368 CA GLU A 27 0.846 -4.005 -9.289 1.00 0.00 C ATOM 369 C GLU A 27 -0.497 -4.730 -9.135 1.00 0.00 C ATOM 370 O GLU A 27 -1.323 -4.373 -8.319 1.00 0.00 O ATOM 371 CB GLU A 27 0.838 -3.203 -10.597 1.00 0.00 C ATOM 372 CG GLU A 27 1.942 -2.142 -10.564 1.00 0.00 C ATOM 373 CD GLU A 27 2.211 -1.634 -11.983 1.00 0.00 C ATOM 374 OE1 GLU A 27 1.252 -1.324 -12.671 1.00 0.00 O ATOM 375 OE2 GLU A 27 3.370 -1.564 -12.357 1.00 0.00 O ATOM 0 H GLU A 27 2.642 -4.852 -10.074 1.00 0.00 H new ATOM 0 HA GLU A 27 0.997 -3.335 -8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.989 -3.871 -11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.132 -2.727 -10.736 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.645 -1.314 -9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.853 -2.564 -10.140 1.00 0.00 H new ATOM 382 N ASN A 28 -0.717 -5.738 -9.930 1.00 0.00 N ATOM 383 CA ASN A 28 -2.000 -6.493 -9.865 1.00 0.00 C ATOM 384 C ASN A 28 -2.149 -7.186 -8.510 1.00 0.00 C ATOM 385 O ASN A 28 -3.246 -7.465 -8.068 1.00 0.00 O ATOM 386 CB ASN A 28 -2.006 -7.551 -10.961 1.00 0.00 C ATOM 387 CG ASN A 28 -2.128 -6.871 -12.325 1.00 0.00 C ATOM 388 OD1 ASN A 28 -1.252 -6.992 -13.159 1.00 0.00 O ATOM 389 ND2 ASN A 28 -3.186 -6.154 -12.590 1.00 0.00 N ATOM 0 H ASN A 28 -0.056 -6.075 -10.630 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.827 -5.795 -9.999 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.090 -8.141 -10.917 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.837 -8.241 -10.811 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.277 -5.696 -13.497 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.921 -6.052 -11.891 1.00 0.00 H new ATOM 396 N LYS A 29 -1.065 -7.474 -7.847 1.00 0.00 N ATOM 397 CA LYS A 29 -1.173 -8.154 -6.529 1.00 0.00 C ATOM 398 C LYS A 29 -1.804 -7.187 -5.531 1.00 0.00 C ATOM 399 O LYS A 29 -2.856 -7.440 -4.987 1.00 0.00 O ATOM 400 CB LYS A 29 0.225 -8.551 -6.055 1.00 0.00 C ATOM 401 CG LYS A 29 0.120 -9.466 -4.825 1.00 0.00 C ATOM 402 CD LYS A 29 1.431 -9.431 -4.032 1.00 0.00 C ATOM 403 CE LYS A 29 2.547 -10.105 -4.838 1.00 0.00 C ATOM 404 NZ LYS A 29 2.960 -9.221 -5.964 1.00 0.00 N ATOM 0 H LYS A 29 -0.115 -7.269 -8.158 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.790 -9.048 -6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.758 -9.063 -6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.801 -7.660 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.706 -9.144 -4.191 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.098 -10.487 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.704 -8.399 -3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.302 -9.940 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.401 -10.311 -4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.201 -11.064 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.696 -9.664 -6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.482 -8.301 -5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.990 -9.080 -5.935 1.00 0.00 H new ATOM 418 N LEU A 30 -1.177 -6.069 -5.304 1.00 0.00 N ATOM 419 CA LEU A 30 -1.752 -5.065 -4.354 1.00 0.00 C ATOM 420 C LEU A 30 -3.229 -4.844 -4.700 1.00 0.00 C ATOM 421 O LEU A 30 -4.069 -4.707 -3.832 1.00 0.00 O ATOM 422 CB LEU A 30 -0.988 -3.740 -4.489 1.00 0.00 C ATOM 423 CG LEU A 30 0.340 -3.786 -3.717 1.00 0.00 C ATOM 424 CD1 LEU A 30 1.097 -5.085 -4.009 1.00 0.00 C ATOM 425 CD2 LEU A 30 1.212 -2.594 -4.143 1.00 0.00 C ATOM 0 H LEU A 30 -0.291 -5.802 -5.733 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.664 -5.428 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.793 -3.534 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.603 -2.922 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 30 0.123 -3.739 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.033 -5.094 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.487 -5.937 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.310 -5.150 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.156 -2.621 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.409 -2.651 -5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.691 -1.663 -3.919 1.00 0.00 H new ATOM 437 N ARG A 31 -3.548 -4.810 -5.964 1.00 0.00 N ATOM 438 CA ARG A 31 -4.966 -4.598 -6.378 1.00 0.00 C ATOM 439 C ARG A 31 -5.794 -5.844 -6.049 1.00 0.00 C ATOM 440 O ARG A 31 -6.933 -5.753 -5.638 1.00 0.00 O ATOM 441 CB ARG A 31 -5.018 -4.340 -7.886 1.00 0.00 C ATOM 442 CG ARG A 31 -6.390 -3.780 -8.265 1.00 0.00 C ATOM 443 CD ARG A 31 -6.406 -3.443 -9.757 1.00 0.00 C ATOM 444 NE ARG A 31 -7.638 -2.670 -10.078 1.00 0.00 N ATOM 445 CZ ARG A 31 -7.721 -2.014 -11.203 1.00 0.00 C ATOM 446 NH1 ARG A 31 -6.729 -2.044 -12.050 1.00 0.00 N ATOM 447 NH2 ARG A 31 -8.795 -1.327 -11.478 1.00 0.00 N ATOM 0 H ARG A 31 -2.886 -4.920 -6.732 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.375 -3.742 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.236 -3.637 -8.172 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.829 -5.265 -8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.168 -4.508 -8.037 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.606 -2.888 -7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.521 -2.863 -10.019 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.374 -4.358 -10.348 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.416 -2.653 -9.419 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.889 -2.580 -11.833 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.794 -1.531 -12.929 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.569 -1.303 -10.814 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.861 -0.814 -12.357 1.00 0.00 H new ATOM 461 N ARG A 32 -5.232 -7.007 -6.235 1.00 0.00 N ATOM 462 CA ARG A 32 -5.987 -8.261 -5.942 1.00 0.00 C ATOM 463 C ARG A 32 -6.045 -8.493 -4.429 1.00 0.00 C ATOM 464 O ARG A 32 -6.996 -9.041 -3.911 1.00 0.00 O ATOM 465 CB ARG A 32 -5.275 -9.445 -6.612 1.00 0.00 C ATOM 466 CG ARG A 32 -5.558 -9.449 -8.127 1.00 0.00 C ATOM 467 CD ARG A 32 -6.870 -10.188 -8.424 1.00 0.00 C ATOM 468 NE ARG A 32 -7.036 -10.332 -9.897 1.00 0.00 N ATOM 469 CZ ARG A 32 -7.891 -11.193 -10.375 1.00 0.00 C ATOM 470 NH1 ARG A 32 -8.600 -11.928 -9.562 1.00 0.00 N ATOM 471 NH2 ARG A 32 -8.038 -11.320 -11.666 1.00 0.00 N ATOM 0 H ARG A 32 -4.281 -7.144 -6.578 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.002 -8.171 -6.329 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.201 -9.380 -6.436 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.615 -10.381 -6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.619 -8.425 -8.495 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.735 -9.929 -8.656 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.862 -11.170 -7.950 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.713 -9.638 -8.004 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.481 -9.758 -10.532 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.485 -11.829 -8.553 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.269 -12.602 -9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.484 -10.746 -12.301 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.707 -11.994 -12.039 1.00 0.00 H new ATOM 485 N LEU A 33 -5.031 -8.085 -3.719 1.00 0.00 N ATOM 486 CA LEU A 33 -5.016 -8.284 -2.242 1.00 0.00 C ATOM 487 C LEU A 33 -6.127 -7.452 -1.593 1.00 0.00 C ATOM 488 O LEU A 33 -6.852 -7.924 -0.740 1.00 0.00 O ATOM 489 CB LEU A 33 -3.656 -7.834 -1.686 1.00 0.00 C ATOM 490 CG LEU A 33 -2.580 -8.892 -1.967 1.00 0.00 C ATOM 491 CD1 LEU A 33 -1.195 -8.262 -1.764 1.00 0.00 C ATOM 492 CD2 LEU A 33 -2.736 -10.095 -1.016 1.00 0.00 C ATOM 0 H LEU A 33 -4.207 -7.620 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.179 -9.338 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.368 -6.885 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.734 -7.664 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.690 -9.243 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.424 -9.007 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.073 -7.423 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.103 -7.908 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.963 -10.833 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.637 -9.758 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.718 -10.546 -1.158 1.00 0.00 H new ATOM 504 N ALA A 34 -6.252 -6.213 -1.978 1.00 0.00 N ATOM 505 CA ALA A 34 -7.300 -5.341 -1.371 1.00 0.00 C ATOM 506 C ALA A 34 -8.691 -5.776 -1.836 1.00 0.00 C ATOM 507 O ALA A 34 -9.484 -6.277 -1.064 1.00 0.00 O ATOM 508 CB ALA A 34 -7.059 -3.895 -1.800 1.00 0.00 C ATOM 0 H ALA A 34 -5.673 -5.764 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.246 -5.426 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.822 -3.253 -1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.074 -3.574 -1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.109 -3.825 -2.887 1.00 0.00 H new ATOM 514 N GLU A 35 -8.995 -5.576 -3.091 1.00 0.00 N ATOM 515 CA GLU A 35 -10.340 -5.962 -3.615 1.00 0.00 C ATOM 516 C GLU A 35 -10.725 -7.352 -3.094 1.00 0.00 C ATOM 517 O GLU A 35 -11.886 -7.709 -3.060 1.00 0.00 O ATOM 518 CB GLU A 35 -10.296 -5.975 -5.151 1.00 0.00 C ATOM 519 CG GLU A 35 -10.478 -4.552 -5.692 1.00 0.00 C ATOM 520 CD GLU A 35 -9.469 -3.616 -5.025 1.00 0.00 C ATOM 521 OE1 GLU A 35 -9.760 -3.139 -3.940 1.00 0.00 O ATOM 522 OE2 GLU A 35 -8.422 -3.391 -5.611 1.00 0.00 O ATOM 0 H GLU A 35 -8.368 -5.160 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.084 -5.241 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.345 -6.384 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.080 -6.624 -5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.338 -4.543 -6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.493 -4.206 -5.499 1.00 0.00 H new ATOM 529 N GLU A 36 -9.766 -8.135 -2.683 1.00 0.00 N ATOM 530 CA GLU A 36 -10.079 -9.488 -2.164 1.00 0.00 C ATOM 531 C GLU A 36 -10.438 -9.381 -0.679 1.00 0.00 C ATOM 532 O GLU A 36 -11.468 -9.856 -0.243 1.00 0.00 O ATOM 533 CB GLU A 36 -8.847 -10.377 -2.344 1.00 0.00 C ATOM 534 CG GLU A 36 -9.053 -11.690 -1.601 1.00 0.00 C ATOM 535 CD GLU A 36 -8.005 -12.709 -2.053 1.00 0.00 C ATOM 536 OE1 GLU A 36 -6.839 -12.351 -2.094 1.00 0.00 O ATOM 537 OE2 GLU A 36 -8.386 -13.829 -2.349 1.00 0.00 O ATOM 0 H GLU A 36 -8.776 -7.891 -2.686 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.921 -9.920 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.676 -10.570 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.960 -9.868 -1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.975 -11.527 -0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.055 -12.074 -1.793 1.00 0.00 H new ATOM 544 N ASN A 37 -9.588 -8.755 0.095 1.00 0.00 N ATOM 545 CA ASN A 37 -9.848 -8.598 1.562 1.00 0.00 C ATOM 546 C ASN A 37 -10.007 -7.113 1.893 1.00 0.00 C ATOM 547 O ASN A 37 -9.249 -6.557 2.661 1.00 0.00 O ATOM 548 CB ASN A 37 -8.662 -9.163 2.347 1.00 0.00 C ATOM 549 CG ASN A 37 -8.303 -10.549 1.806 1.00 0.00 C ATOM 550 OD1 ASN A 37 -9.010 -11.508 2.040 1.00 0.00 O ATOM 551 ND2 ASN A 37 -7.223 -10.694 1.087 1.00 0.00 N ATOM 0 H ASN A 37 -8.714 -8.341 -0.229 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.758 -9.133 1.831 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.805 -8.495 2.262 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.912 -9.228 3.406 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.973 -11.613 0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.629 -9.888 0.890 1.00 0.00 H new ATOM 558 N LYS A 38 -10.987 -6.465 1.321 1.00 0.00 N ATOM 559 CA LYS A 38 -11.196 -5.013 1.607 1.00 0.00 C ATOM 560 C LYS A 38 -11.100 -4.770 3.121 1.00 0.00 C ATOM 561 O LYS A 38 -10.947 -3.652 3.571 1.00 0.00 O ATOM 562 CB LYS A 38 -12.581 -4.561 1.081 1.00 0.00 C ATOM 563 CG LYS A 38 -13.559 -5.756 1.035 1.00 0.00 C ATOM 564 CD LYS A 38 -13.494 -6.453 -0.342 1.00 0.00 C ATOM 565 CE LYS A 38 -14.450 -5.765 -1.323 1.00 0.00 C ATOM 566 NZ LYS A 38 -14.345 -6.416 -2.660 1.00 0.00 N ATOM 0 H LYS A 38 -11.653 -6.878 0.668 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.425 -4.432 1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.983 -3.779 1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.476 -4.131 0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.310 -6.468 1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.575 -5.410 1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.476 -6.418 -0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.760 -7.505 -0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.474 -5.829 -0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.206 -4.706 -1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.565 -5.722 -3.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.378 -6.774 -2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.018 -7.207 -2.715 1.00 0.00 H new ATOM 580 N ASN A 39 -11.192 -5.811 3.907 1.00 0.00 N ATOM 581 CA ASN A 39 -11.112 -5.656 5.388 1.00 0.00 C ATOM 582 C ASN A 39 -9.688 -5.960 5.861 1.00 0.00 C ATOM 583 O ASN A 39 -9.445 -6.165 7.034 1.00 0.00 O ATOM 584 CB ASN A 39 -12.080 -6.643 6.037 1.00 0.00 C ATOM 585 CG ASN A 39 -13.478 -6.456 5.445 1.00 0.00 C ATOM 586 OD1 ASN A 39 -14.268 -5.687 5.955 1.00 0.00 O ATOM 587 ND2 ASN A 39 -13.820 -7.132 4.382 1.00 0.00 N ATOM 0 H ASN A 39 -11.320 -6.769 3.582 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.373 -4.635 5.667 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.738 -7.665 5.872 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.107 -6.486 7.115 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.750 -7.014 3.980 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.157 -7.778 3.953 1.00 0.00 H new ATOM 594 N ALA A 40 -8.746 -5.993 4.959 1.00 0.00 N ATOM 595 CA ALA A 40 -7.341 -6.287 5.358 1.00 0.00 C ATOM 596 C ALA A 40 -6.903 -5.288 6.440 1.00 0.00 C ATOM 597 O ALA A 40 -7.373 -4.173 6.495 1.00 0.00 O ATOM 598 CB ALA A 40 -6.428 -6.179 4.115 1.00 0.00 C ATOM 0 H ALA A 40 -8.889 -5.829 3.962 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.267 -7.296 5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.398 -6.393 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.753 -6.897 3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.489 -5.171 3.705 1.00 0.00 H new ATOM 604 N ASN A 41 -6.013 -5.683 7.303 1.00 0.00 N ATOM 605 CA ASN A 41 -5.545 -4.751 8.369 1.00 0.00 C ATOM 606 C ASN A 41 -4.478 -3.803 7.801 1.00 0.00 C ATOM 607 O ASN A 41 -4.109 -2.829 8.425 1.00 0.00 O ATOM 608 CB ASN A 41 -4.943 -5.559 9.520 1.00 0.00 C ATOM 609 CG ASN A 41 -4.350 -4.607 10.560 1.00 0.00 C ATOM 610 OD1 ASN A 41 -3.294 -4.864 11.103 1.00 0.00 O ATOM 611 ND2 ASN A 41 -4.988 -3.509 10.862 1.00 0.00 N ATOM 0 H ASN A 41 -5.588 -6.610 7.319 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.390 -4.166 8.732 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.709 -6.184 9.979 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.170 -6.229 9.142 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.600 -2.867 11.553 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.875 -3.293 10.406 1.00 0.00 H new ATOM 618 N TRP A 42 -3.950 -4.107 6.639 1.00 0.00 N ATOM 619 CA TRP A 42 -2.867 -3.254 6.043 1.00 0.00 C ATOM 620 C TRP A 42 -3.408 -2.319 4.947 1.00 0.00 C ATOM 621 O TRP A 42 -2.725 -1.406 4.529 1.00 0.00 O ATOM 622 CB TRP A 42 -1.813 -4.177 5.425 1.00 0.00 C ATOM 623 CG TRP A 42 -2.507 -5.217 4.609 1.00 0.00 C ATOM 624 CD1 TRP A 42 -2.769 -6.479 5.017 1.00 0.00 C ATOM 625 CD2 TRP A 42 -3.041 -5.103 3.259 1.00 0.00 C ATOM 626 NE1 TRP A 42 -3.440 -7.144 4.007 1.00 0.00 N ATOM 627 CE2 TRP A 42 -3.630 -6.338 2.903 1.00 0.00 C ATOM 628 CE3 TRP A 42 -3.074 -4.056 2.320 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -4.233 -6.529 1.662 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.677 -4.245 1.066 1.00 0.00 C ATOM 631 CH2 TRP A 42 -4.258 -5.477 0.738 1.00 0.00 C ATOM 0 H TRP A 42 -4.222 -4.912 6.074 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.444 -2.635 6.834 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.127 -3.603 4.802 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.216 -4.646 6.207 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.499 -6.899 5.975 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.756 -8.112 4.070 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.633 -3.101 2.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.678 -7.481 1.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.693 -3.436 0.350 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.725 -5.615 -0.226 1.00 0.00 H new ATOM 642 N LEU A 43 -4.602 -2.539 4.451 1.00 0.00 N ATOM 643 CA LEU A 43 -5.131 -1.661 3.359 1.00 0.00 C ATOM 644 C LEU A 43 -5.945 -0.503 3.952 1.00 0.00 C ATOM 645 O LEU A 43 -6.373 -0.544 5.089 1.00 0.00 O ATOM 646 CB LEU A 43 -5.982 -2.546 2.414 1.00 0.00 C ATOM 647 CG LEU A 43 -7.508 -2.458 2.691 1.00 0.00 C ATOM 648 CD1 LEU A 43 -7.831 -2.630 4.198 1.00 0.00 C ATOM 649 CD2 LEU A 43 -8.099 -1.126 2.147 1.00 0.00 C ATOM 0 H LEU A 43 -5.230 -3.284 4.753 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.317 -1.209 2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.790 -2.251 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.662 -3.583 2.514 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.980 -3.284 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.908 -2.562 4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.478 -3.604 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.334 -1.845 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.169 -1.091 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.607 -0.284 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.936 -1.068 1.071 1.00 0.00 H new ATOM 661 N ILE A 44 -6.145 0.538 3.183 1.00 0.00 N ATOM 662 CA ILE A 44 -6.909 1.718 3.660 1.00 0.00 C ATOM 663 C ILE A 44 -7.948 2.086 2.600 1.00 0.00 C ATOM 664 O ILE A 44 -7.824 1.718 1.448 1.00 0.00 O ATOM 665 CB ILE A 44 -5.927 2.880 3.836 1.00 0.00 C ATOM 666 CG1 ILE A 44 -4.971 2.589 5.010 1.00 0.00 C ATOM 667 CG2 ILE A 44 -6.694 4.177 4.075 1.00 0.00 C ATOM 668 CD1 ILE A 44 -5.628 2.898 6.366 1.00 0.00 C ATOM 0 H ILE A 44 -5.801 0.615 2.226 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.409 1.503 4.604 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.335 2.990 2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.668 1.542 4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.066 3.186 4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.989 4.999 4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.341 4.380 3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.301 4.080 4.975 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.924 2.681 7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.907 3.951 6.403 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.519 2.282 6.488 1.00 0.00 H new ATOM 680 N MET A 45 -8.969 2.813 2.979 1.00 0.00 N ATOM 681 CA MET A 45 -10.022 3.212 1.994 1.00 0.00 C ATOM 682 C MET A 45 -10.384 4.682 2.192 1.00 0.00 C ATOM 683 O MET A 45 -11.076 5.046 3.123 1.00 0.00 O ATOM 684 CB MET A 45 -11.275 2.354 2.197 1.00 0.00 C ATOM 685 CG MET A 45 -10.983 0.873 1.854 1.00 0.00 C ATOM 686 SD MET A 45 -12.372 0.173 0.926 1.00 0.00 S ATOM 687 CE MET A 45 -11.924 0.857 -0.690 1.00 0.00 C ATOM 0 H MET A 45 -9.119 3.148 3.930 1.00 0.00 H new ATOM 0 HA MET A 45 -9.637 3.063 0.985 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.613 2.434 3.230 1.00 0.00 H new ATOM 0 HB3 MET A 45 -12.083 2.726 1.567 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.068 0.800 1.267 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.821 0.303 2.769 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.659 0.547 -1.433 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.904 1.945 -0.632 1.00 0.00 H new ATOM 0 HE3 MET A 45 -10.939 0.491 -0.980 1.00 0.00 H new ATOM 697 N ASN A 46 -9.929 5.525 1.304 1.00 0.00 N ATOM 698 CA ASN A 46 -10.242 6.984 1.394 1.00 0.00 C ATOM 699 C ASN A 46 -11.263 7.317 0.309 1.00 0.00 C ATOM 700 O ASN A 46 -10.928 7.843 -0.734 1.00 0.00 O ATOM 701 CB ASN A 46 -8.965 7.794 1.158 1.00 0.00 C ATOM 702 CG ASN A 46 -8.075 7.724 2.399 1.00 0.00 C ATOM 703 OD1 ASN A 46 -6.901 7.426 2.303 1.00 0.00 O ATOM 704 ND2 ASN A 46 -8.586 7.987 3.571 1.00 0.00 N ATOM 0 H ASN A 46 -9.346 5.263 0.509 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.641 7.227 2.379 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.430 7.404 0.292 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.216 8.831 0.937 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.000 7.942 4.405 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.571 8.237 3.653 1.00 0.00 H new ATOM 711 N GLY A 47 -12.505 6.991 0.534 1.00 0.00 N ATOM 712 CA GLY A 47 -13.542 7.264 -0.498 1.00 0.00 C ATOM 713 C GLY A 47 -13.484 6.158 -1.541 1.00 0.00 C ATOM 714 O GLY A 47 -14.367 5.329 -1.639 1.00 0.00 O ATOM 0 H GLY A 47 -12.846 6.548 1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.531 7.303 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.368 8.234 -0.964 1.00 0.00 H new ATOM 718 N ASN A 48 -12.446 6.144 -2.328 1.00 0.00 N ATOM 719 CA ASN A 48 -12.318 5.098 -3.380 1.00 0.00 C ATOM 720 C ASN A 48 -10.840 4.790 -3.651 1.00 0.00 C ATOM 721 O ASN A 48 -10.512 3.812 -4.293 1.00 0.00 O ATOM 722 CB ASN A 48 -12.978 5.616 -4.652 1.00 0.00 C ATOM 723 CG ASN A 48 -13.033 4.500 -5.697 1.00 0.00 C ATOM 724 OD1 ASN A 48 -13.274 3.275 -5.316 1.00 0.00 O flip ATOM 725 ND2 ASN A 48 -12.853 4.745 -6.874 1.00 0.00 N flip ATOM 0 H ASN A 48 -11.678 6.814 -2.288 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.803 4.180 -3.047 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.985 5.971 -4.432 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.419 6.466 -5.043 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.665 5.702 -7.173 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.890 3.994 -7.563 1.00 0.00 H new ATOM 732 N ARG A 49 -9.943 5.619 -3.182 1.00 0.00 N ATOM 733 CA ARG A 49 -8.493 5.371 -3.431 1.00 0.00 C ATOM 734 C ARG A 49 -7.940 4.386 -2.398 1.00 0.00 C ATOM 735 O ARG A 49 -7.995 4.620 -1.208 1.00 0.00 O ATOM 736 CB ARG A 49 -7.732 6.693 -3.326 1.00 0.00 C ATOM 737 CG ARG A 49 -8.336 7.709 -4.297 1.00 0.00 C ATOM 738 CD ARG A 49 -7.758 9.093 -4.006 1.00 0.00 C ATOM 739 NE ARG A 49 -6.293 9.084 -4.282 1.00 0.00 N ATOM 740 CZ ARG A 49 -5.643 10.209 -4.392 1.00 0.00 C ATOM 741 NH1 ARG A 49 -6.273 11.343 -4.254 1.00 0.00 N ATOM 742 NH2 ARG A 49 -4.362 10.199 -4.640 1.00 0.00 N ATOM 0 H ARG A 49 -10.153 6.456 -2.638 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.369 4.947 -4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.783 7.074 -2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.678 6.537 -3.555 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.118 7.420 -5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.421 7.727 -4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.251 9.843 -4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.942 9.365 -2.967 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.799 8.198 -4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.274 11.350 -4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.764 12.223 -4.340 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.870 9.312 -4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.852 11.078 -4.726 1.00 0.00 H new ATOM 756 N ILE A 50 -7.397 3.288 -2.852 1.00 0.00 N ATOM 757 CA ILE A 50 -6.825 2.283 -1.910 1.00 0.00 C ATOM 758 C ILE A 50 -5.388 2.672 -1.562 1.00 0.00 C ATOM 759 O ILE A 50 -4.552 2.793 -2.436 1.00 0.00 O ATOM 760 CB ILE A 50 -6.819 0.912 -2.586 1.00 0.00 C ATOM 761 CG1 ILE A 50 -8.254 0.531 -2.964 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.241 -0.132 -1.627 1.00 0.00 C ATOM 763 CD1 ILE A 50 -8.249 -0.760 -3.786 1.00 0.00 C ATOM 0 H ILE A 50 -7.325 3.043 -3.840 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.427 2.249 -1.002 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.203 0.949 -3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.853 0.397 -2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.715 1.336 -3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.238 -1.109 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.221 0.144 -1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.852 -0.176 -0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.272 -1.026 -4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.665 -0.611 -4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.806 -1.564 -3.198 1.00 0.00 H new ATOM 775 N GLN A 51 -5.087 2.859 -0.293 1.00 0.00 N ATOM 776 CA GLN A 51 -3.688 3.230 0.112 1.00 0.00 C ATOM 777 C GLN A 51 -3.082 2.094 0.952 1.00 0.00 C ATOM 778 O GLN A 51 -3.760 1.434 1.714 1.00 0.00 O ATOM 779 CB GLN A 51 -3.703 4.572 0.891 1.00 0.00 C ATOM 780 CG GLN A 51 -2.559 5.480 0.390 1.00 0.00 C ATOM 781 CD GLN A 51 -2.585 6.830 1.113 1.00 0.00 C ATOM 782 OE1 GLN A 51 -3.547 7.157 1.780 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.557 7.637 1.005 1.00 0.00 N ATOM 0 H GLN A 51 -5.749 2.771 0.478 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.067 3.368 -0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.662 5.071 0.755 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.590 4.385 1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.600 4.991 0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.655 5.635 -0.685 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.750 7.362 0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.565 8.539 1.481 1.00 0.00 H new ATOM 792 N ILE A 52 -1.808 1.849 0.776 1.00 0.00 N ATOM 793 CA ILE A 52 -1.122 0.739 1.508 1.00 0.00 C ATOM 794 C ILE A 52 -0.515 1.252 2.822 1.00 0.00 C ATOM 795 O ILE A 52 -0.129 2.396 2.935 1.00 0.00 O ATOM 796 CB ILE A 52 0.011 0.208 0.623 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.506 -0.089 -0.800 1.00 0.00 C ATOM 798 CG2 ILE A 52 0.619 -1.051 1.245 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.583 -1.181 -0.798 1.00 0.00 C ATOM 0 H ILE A 52 -1.205 2.379 0.147 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.847 -0.043 1.734 1.00 0.00 H new ATOM 0 HB ILE A 52 0.785 0.972 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.914 0.823 -1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.326 -0.400 -1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.423 -1.420 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.018 -0.813 2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.150 -1.818 1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.921 -1.361 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.168 -2.101 -0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.427 -0.859 -0.188 1.00 0.00 H new ATOM 811 N LYS A 53 -0.412 0.399 3.813 1.00 0.00 N ATOM 812 CA LYS A 53 0.183 0.826 5.117 1.00 0.00 C ATOM 813 C LYS A 53 1.710 0.770 5.022 1.00 0.00 C ATOM 814 O LYS A 53 2.309 -0.285 5.032 1.00 0.00 O ATOM 815 CB LYS A 53 -0.318 -0.097 6.248 1.00 0.00 C ATOM 816 CG LYS A 53 -1.650 0.437 6.817 1.00 0.00 C ATOM 817 CD LYS A 53 -1.385 1.529 7.875 1.00 0.00 C ATOM 818 CE LYS A 53 -1.168 0.892 9.253 1.00 0.00 C ATOM 819 NZ LYS A 53 -2.487 0.523 9.840 1.00 0.00 N ATOM 0 H LYS A 53 -0.715 -0.574 3.774 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.122 1.848 5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.456 -1.109 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.429 -0.153 7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.260 0.844 6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.216 -0.381 7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.508 2.112 7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.228 2.219 7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.538 0.007 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.647 1.588 9.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.362 0.266 10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.137 1.332 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.884 -0.287 9.321 1.00 0.00 H new ATOM 833 N ARG A 54 2.336 1.909 4.932 1.00 0.00 N ATOM 834 CA ARG A 54 3.820 1.948 4.835 1.00 0.00 C ATOM 835 C ARG A 54 4.441 1.239 6.040 1.00 0.00 C ATOM 836 O ARG A 54 5.053 0.207 5.908 1.00 0.00 O ATOM 837 CB ARG A 54 4.283 3.406 4.824 1.00 0.00 C ATOM 838 CG ARG A 54 5.753 3.478 4.384 1.00 0.00 C ATOM 839 CD ARG A 54 6.370 4.844 4.762 1.00 0.00 C ATOM 840 NE ARG A 54 7.341 4.654 5.877 1.00 0.00 N ATOM 841 CZ ARG A 54 8.203 5.593 6.156 1.00 0.00 C ATOM 842 NH1 ARG A 54 8.215 6.696 5.458 1.00 0.00 N ATOM 843 NH2 ARG A 54 9.055 5.429 7.131 1.00 0.00 N ATOM 0 H ARG A 54 1.879 2.821 4.921 1.00 0.00 H new ATOM 0 HA ARG A 54 4.133 1.446 3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.661 3.990 4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.168 3.842 5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.319 2.675 4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.823 3.327 3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.871 5.281 3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.586 5.540 5.062 1.00 0.00 H new ATOM 0 HE ARG A 54 7.332 3.791 6.421 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.551 6.824 4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.889 7.430 5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.047 4.566 7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.729 6.163 7.349 1.00 0.00 H new ATOM 857 N LYS A 55 4.302 1.808 7.209 1.00 0.00 N ATOM 858 CA LYS A 55 4.902 1.197 8.437 1.00 0.00 C ATOM 859 C LYS A 55 4.785 -0.338 8.410 1.00 0.00 C ATOM 860 O LYS A 55 5.775 -1.037 8.344 1.00 0.00 O ATOM 861 CB LYS A 55 4.192 1.758 9.692 1.00 0.00 C ATOM 862 CG LYS A 55 2.705 2.075 9.383 1.00 0.00 C ATOM 863 CD LYS A 55 2.535 3.565 9.018 1.00 0.00 C ATOM 864 CE LYS A 55 2.388 4.408 10.293 1.00 0.00 C ATOM 865 NZ LYS A 55 0.971 4.367 10.751 1.00 0.00 N ATOM 0 H LYS A 55 3.794 2.678 7.369 1.00 0.00 H new ATOM 0 HA LYS A 55 5.961 1.453 8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.254 1.035 10.505 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.699 2.662 10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.357 1.451 8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.088 1.834 10.249 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.396 3.907 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.658 3.694 8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.045 4.025 11.073 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.690 5.437 10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.869 4.937 11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.354 4.752 10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.699 3.383 10.952 1.00 0.00 H new ATOM 879 N GLN A 56 3.596 -0.869 8.473 1.00 0.00 N ATOM 880 CA GLN A 56 3.448 -2.355 8.470 1.00 0.00 C ATOM 881 C GLN A 56 4.151 -2.962 7.250 1.00 0.00 C ATOM 882 O GLN A 56 5.163 -3.624 7.370 1.00 0.00 O ATOM 883 CB GLN A 56 1.963 -2.722 8.430 1.00 0.00 C ATOM 884 CG GLN A 56 1.324 -2.427 9.789 1.00 0.00 C ATOM 885 CD GLN A 56 -0.118 -2.936 9.795 1.00 0.00 C ATOM 886 OE1 GLN A 56 -0.924 -2.587 8.829 1.00 0.00 O flip ATOM 887 NE2 GLN A 56 -0.516 -3.660 10.686 1.00 0.00 N flip ATOM 0 H GLN A 56 2.723 -0.344 8.526 1.00 0.00 H new ATOM 0 HA GLN A 56 3.905 -2.752 9.377 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.459 -2.154 7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.845 -3.777 8.183 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.894 -2.909 10.583 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.344 -1.355 9.987 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.113 -3.933 11.441 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.479 -3.995 10.679 1.00 0.00 H new ATOM 896 N PHE A 57 3.608 -2.761 6.083 1.00 0.00 N ATOM 897 CA PHE A 57 4.222 -3.341 4.852 1.00 0.00 C ATOM 898 C PHE A 57 5.751 -3.126 4.861 1.00 0.00 C ATOM 899 O PHE A 57 6.513 -4.016 4.556 1.00 0.00 O ATOM 900 CB PHE A 57 3.584 -2.670 3.614 1.00 0.00 C ATOM 901 CG PHE A 57 3.463 -3.666 2.467 1.00 0.00 C ATOM 902 CD1 PHE A 57 4.593 -4.356 2.013 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.221 -3.891 1.857 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.489 -5.266 0.957 1.00 0.00 C ATOM 905 CE2 PHE A 57 2.115 -4.801 0.797 1.00 0.00 C ATOM 906 CZ PHE A 57 3.248 -5.489 0.346 1.00 0.00 C ATOM 0 H PHE A 57 2.760 -2.217 5.926 1.00 0.00 H new ATOM 0 HA PHE A 57 4.036 -4.415 4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.598 -2.282 3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.190 -1.819 3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.551 -4.184 2.481 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.345 -3.363 2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.364 -5.797 0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.158 -4.972 0.327 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.166 -6.190 -0.471 1.00 0.00 H new ATOM 916 N GLU A 58 6.204 -1.951 5.197 1.00 0.00 N ATOM 917 CA GLU A 58 7.678 -1.684 5.205 1.00 0.00 C ATOM 918 C GLU A 58 8.434 -2.789 5.957 1.00 0.00 C ATOM 919 O GLU A 58 9.550 -3.124 5.612 1.00 0.00 O ATOM 920 CB GLU A 58 7.954 -0.335 5.878 1.00 0.00 C ATOM 921 CG GLU A 58 9.418 0.058 5.659 1.00 0.00 C ATOM 922 CD GLU A 58 9.748 1.294 6.498 1.00 0.00 C ATOM 923 OE1 GLU A 58 9.649 1.207 7.711 1.00 0.00 O ATOM 924 OE2 GLU A 58 10.095 2.307 5.913 1.00 0.00 O ATOM 0 H GLU A 58 5.620 -1.160 5.468 1.00 0.00 H new ATOM 0 HA GLU A 58 8.026 -1.664 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.296 0.430 5.466 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.740 -0.399 6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.072 -0.768 5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.596 0.264 4.604 1.00 0.00 H new ATOM 931 N LYS A 59 7.858 -3.349 6.986 1.00 0.00 N ATOM 932 CA LYS A 59 8.588 -4.410 7.747 1.00 0.00 C ATOM 933 C LYS A 59 8.658 -5.704 6.935 1.00 0.00 C ATOM 934 O LYS A 59 9.228 -6.682 7.377 1.00 0.00 O ATOM 935 CB LYS A 59 7.869 -4.693 9.066 1.00 0.00 C ATOM 936 CG LYS A 59 7.681 -3.391 9.842 1.00 0.00 C ATOM 937 CD LYS A 59 9.048 -2.807 10.233 1.00 0.00 C ATOM 938 CE LYS A 59 8.881 -1.877 11.435 1.00 0.00 C ATOM 939 NZ LYS A 59 10.168 -1.177 11.710 1.00 0.00 N ATOM 0 H LYS A 59 6.925 -3.123 7.332 1.00 0.00 H new ATOM 0 HA LYS A 59 9.599 -4.053 7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.901 -5.154 8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.446 -5.401 9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.130 -2.673 9.235 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.086 -3.574 10.737 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.743 -3.611 10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.475 -2.259 9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.095 -1.149 11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.573 -2.449 12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.052 -0.545 12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.907 -1.878 11.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.444 -0.618 10.877 1.00 0.00 H new ATOM 953 N ILE A 60 8.087 -5.726 5.754 1.00 0.00 N ATOM 954 CA ILE A 60 8.128 -6.970 4.917 1.00 0.00 C ATOM 955 C ILE A 60 8.504 -6.632 3.469 1.00 0.00 C ATOM 956 O ILE A 60 8.046 -7.261 2.544 1.00 0.00 O ATOM 957 CB ILE A 60 6.763 -7.667 4.951 1.00 0.00 C ATOM 958 CG1 ILE A 60 5.652 -6.653 4.687 1.00 0.00 C ATOM 959 CG2 ILE A 60 6.554 -8.300 6.327 1.00 0.00 C ATOM 960 CD1 ILE A 60 4.314 -7.384 4.548 1.00 0.00 C ATOM 0 H ILE A 60 7.595 -4.938 5.333 1.00 0.00 H new ATOM 0 HA ILE A 60 8.885 -7.639 5.326 1.00 0.00 H new ATOM 0 HB ILE A 60 6.734 -8.437 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.601 -5.933 5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.867 -6.091 3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.584 -8.797 6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.341 -9.030 6.515 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.587 -7.525 7.093 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.522 -6.660 4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.368 -8.087 3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.098 -7.926 5.469 1.00 0.00 H new ATOM 972 N ILE A 61 9.336 -5.648 3.252 1.00 0.00 N ATOM 973 CA ILE A 61 9.728 -5.309 1.843 1.00 0.00 C ATOM 974 C ILE A 61 10.918 -6.187 1.415 1.00 0.00 C ATOM 975 O ILE A 61 10.951 -6.697 0.312 1.00 0.00 O ATOM 976 CB ILE A 61 10.101 -3.813 1.751 1.00 0.00 C ATOM 977 CG1 ILE A 61 10.592 -3.435 0.326 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.205 -3.506 2.762 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.400 -3.171 -0.599 1.00 0.00 C ATOM 0 H ILE A 61 9.759 -5.068 3.976 1.00 0.00 H new ATOM 0 HA ILE A 61 8.889 -5.501 1.174 1.00 0.00 H new ATOM 0 HB ILE A 61 9.209 -3.226 1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.225 -2.549 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.204 -4.241 -0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.472 -2.451 2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.851 -3.733 3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.081 -4.115 2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.762 -2.908 -1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.784 -4.068 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.805 -2.350 -0.200 1.00 0.00 H new ATOM 991 N ASP A 62 11.905 -6.350 2.262 1.00 0.00 N ATOM 992 CA ASP A 62 13.101 -7.173 1.881 1.00 0.00 C ATOM 993 C ASP A 62 12.970 -8.603 2.416 1.00 0.00 C ATOM 994 O ASP A 62 13.813 -9.442 2.172 1.00 0.00 O ATOM 995 CB ASP A 62 14.358 -6.530 2.471 1.00 0.00 C ATOM 996 CG ASP A 62 14.249 -6.494 3.996 1.00 0.00 C ATOM 997 OD1 ASP A 62 14.010 -7.540 4.579 1.00 0.00 O ATOM 998 OD2 ASP A 62 14.408 -5.422 4.557 1.00 0.00 O ATOM 0 H ASP A 62 11.936 -5.950 3.200 1.00 0.00 H new ATOM 0 HA ASP A 62 13.168 -7.212 0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.242 -7.094 2.173 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.479 -5.519 2.081 1.00 0.00 H new ATOM 1003 N THR A 63 11.928 -8.891 3.145 1.00 0.00 N ATOM 1004 CA THR A 63 11.755 -10.270 3.694 1.00 0.00 C ATOM 1005 C THR A 63 11.070 -11.146 2.641 1.00 0.00 C ATOM 1006 O THR A 63 11.046 -12.356 2.744 1.00 0.00 O ATOM 1007 CB THR A 63 10.907 -10.178 4.987 1.00 0.00 C ATOM 1008 OG1 THR A 63 11.737 -10.456 6.104 1.00 0.00 O ATOM 1009 CG2 THR A 63 9.721 -11.163 4.989 1.00 0.00 C ATOM 0 H THR A 63 11.187 -8.233 3.386 1.00 0.00 H new ATOM 0 HA THR A 63 12.718 -10.720 3.935 1.00 0.00 H new ATOM 0 HB THR A 63 10.497 -9.169 5.039 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.208 -10.398 6.927 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.161 -11.056 5.918 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.067 -10.947 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.095 -12.183 4.906 1.00 0.00 H new ATOM 1017 N LEU A 64 10.494 -10.543 1.647 1.00 0.00 N ATOM 1018 CA LEU A 64 9.788 -11.346 0.616 1.00 0.00 C ATOM 1019 C LEU A 64 10.824 -12.030 -0.285 1.00 0.00 C ATOM 1020 O LEU A 64 10.636 -12.156 -1.479 1.00 0.00 O ATOM 1021 CB LEU A 64 8.871 -10.440 -0.235 1.00 0.00 C ATOM 1022 CG LEU A 64 8.381 -9.221 0.566 1.00 0.00 C ATOM 1023 CD1 LEU A 64 7.577 -8.320 -0.368 1.00 0.00 C ATOM 1024 CD2 LEU A 64 7.499 -9.658 1.758 1.00 0.00 C ATOM 0 H LEU A 64 10.480 -9.533 1.502 1.00 0.00 H new ATOM 0 HA LEU A 64 9.172 -12.099 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.411 -10.102 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.014 -11.015 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 64 9.242 -8.685 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.221 -7.450 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.210 -7.993 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.725 -8.873 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.166 -8.777 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.631 -10.204 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.077 -10.302 2.421 1.00 0.00 H new TER 1036 LEU A 64