USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 507 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 29 GLN : amide:sc= 0.0175 K(o=0.16,f=-1.4) USER MOD Set 1.2: A 33 GLN : amide:sc= 0.147 K(o=0.16,f=-1.4!) USER MOD Single : A 2 MET CE :methyl -135:sc= -0.7 (180deg=-3.44!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= 0.623 K(o=0.62,f=-0.019) USER MOD Single : A 17 GLN : amide:sc= 1.84 K(o=1.8,f=-0.52) USER MOD Single : A 22 GLN : amide:sc= -0.0709 X(o=-0.071,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= 0.908 (180deg=0.883) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 36 ASN : amide:sc= -0.791 K(o=-0.79,f=-5.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.466 K(o=0.47,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.478 -0.469 6.580 1.00 0.00 N ATOM 38 CA MET A 2 -5.482 -0.307 5.522 1.00 0.00 C ATOM 39 C MET A 2 -4.101 -0.712 6.006 1.00 0.00 C ATOM 40 O MET A 2 -3.448 -1.493 5.327 1.00 0.00 O ATOM 41 CB MET A 2 -5.424 1.121 4.965 1.00 0.00 C ATOM 42 CG MET A 2 -6.254 1.290 3.689 1.00 0.00 C ATOM 43 SD MET A 2 -8.037 1.440 3.948 1.00 0.00 S ATOM 44 CE MET A 2 -8.110 3.134 4.565 1.00 0.00 C ATOM 0 HA MET A 2 -5.799 -0.966 4.713 1.00 0.00 H new ATOM 0 HB2 MET A 2 -5.783 1.817 5.723 1.00 0.00 H new ATOM 0 HB3 MET A 2 -4.387 1.384 4.757 1.00 0.00 H new ATOM 0 HG2 MET A 2 -5.903 2.177 3.161 1.00 0.00 H new ATOM 0 HG3 MET A 2 -6.068 0.436 3.037 1.00 0.00 H new ATOM 0 HE1 MET A 2 -8.768 3.177 5.433 1.00 0.00 H new ATOM 0 HE2 MET A 2 -7.110 3.460 4.851 1.00 0.00 H new ATOM 0 HE3 MET A 2 -8.496 3.789 3.784 1.00 0.00 H new ATOM 54 N GLY A 3 -3.637 -0.148 7.119 1.00 0.00 N ATOM 55 CA GLY A 3 -2.293 -0.384 7.619 1.00 0.00 C ATOM 56 C GLY A 3 -1.914 -1.865 7.660 1.00 0.00 C ATOM 57 O GLY A 3 -0.931 -2.266 7.034 1.00 0.00 O ATOM 0 H GLY A 3 -4.187 0.486 7.698 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.580 0.149 6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.207 0.034 8.622 1.00 0.00 H new ATOM 61 N GLU A 4 -2.720 -2.686 8.343 1.00 0.00 N ATOM 62 CA GLU A 4 -2.485 -4.129 8.417 1.00 0.00 C ATOM 63 C GLU A 4 -2.614 -4.774 7.046 1.00 0.00 C ATOM 64 O GLU A 4 -1.783 -5.599 6.683 1.00 0.00 O ATOM 65 CB GLU A 4 -3.473 -4.806 9.380 1.00 0.00 C ATOM 66 CG GLU A 4 -2.951 -4.846 10.821 1.00 0.00 C ATOM 67 CD GLU A 4 -1.969 -6.008 11.026 1.00 0.00 C ATOM 68 OE1 GLU A 4 -0.880 -6.008 10.411 1.00 0.00 O ATOM 69 OE2 GLU A 4 -2.307 -6.954 11.778 1.00 0.00 O ATOM 0 H GLU A 4 -3.545 -2.371 8.854 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.470 -4.267 8.789 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.423 -4.273 9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.669 -5.823 9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.457 -3.904 11.057 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.789 -4.949 11.511 1.00 0.00 H new ATOM 76 N ARG A 5 -3.623 -4.398 6.256 1.00 0.00 N ATOM 77 CA ARG A 5 -3.824 -4.933 4.915 1.00 0.00 C ATOM 78 C ARG A 5 -2.558 -4.756 4.077 1.00 0.00 C ATOM 79 O ARG A 5 -2.109 -5.683 3.400 1.00 0.00 O ATOM 80 CB ARG A 5 -5.055 -4.228 4.318 1.00 0.00 C ATOM 81 CG ARG A 5 -5.168 -4.432 2.817 1.00 0.00 C ATOM 82 CD ARG A 5 -6.550 -4.205 2.204 1.00 0.00 C ATOM 83 NE ARG A 5 -7.174 -2.926 2.566 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.080 -2.735 3.526 1.00 0.00 C ATOM 85 NH1 ARG A 5 -8.327 -3.673 4.432 1.00 0.00 N ATOM 86 NH2 ARG A 5 -8.732 -1.589 3.570 1.00 0.00 N ATOM 0 H ARG A 5 -4.324 -3.711 6.533 1.00 0.00 H new ATOM 0 HA ARG A 5 -4.014 -6.006 4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.956 -4.605 4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.999 -3.161 4.534 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.462 -3.762 2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.854 -5.450 2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.465 -4.259 1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.209 -5.017 2.513 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.887 -2.105 2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.820 -4.558 4.401 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.023 -3.509 5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.540 -0.866 2.877 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.428 -1.426 4.297 1.00 0.00 H new ATOM 100 N ILE A 6 -2.001 -3.553 4.107 1.00 0.00 N ATOM 101 CA ILE A 6 -0.828 -3.138 3.370 1.00 0.00 C ATOM 102 C ILE A 6 0.381 -3.903 3.884 1.00 0.00 C ATOM 103 O ILE A 6 1.102 -4.477 3.065 1.00 0.00 O ATOM 104 CB ILE A 6 -0.711 -1.606 3.494 1.00 0.00 C ATOM 105 CG1 ILE A 6 -1.796 -1.000 2.573 1.00 0.00 C ATOM 106 CG2 ILE A 6 0.691 -1.061 3.164 1.00 0.00 C ATOM 107 CD1 ILE A 6 -1.999 0.494 2.785 1.00 0.00 C ATOM 0 H ILE A 6 -2.382 -2.801 4.681 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.897 -3.371 2.307 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.866 -1.316 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.522 -1.179 1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.740 -1.516 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.695 0.023 3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.421 -1.497 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.951 -1.323 2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.773 0.856 2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.303 0.677 3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.066 1.020 2.583 1.00 0.00 H new ATOM 119 N ARG A 7 0.628 -3.920 5.200 1.00 0.00 N ATOM 120 CA ARG A 7 1.759 -4.677 5.731 1.00 0.00 C ATOM 121 C ARG A 7 1.646 -6.151 5.357 1.00 0.00 C ATOM 122 O ARG A 7 2.597 -6.715 4.820 1.00 0.00 O ATOM 123 CB ARG A 7 1.831 -4.544 7.258 1.00 0.00 C ATOM 124 CG ARG A 7 3.174 -5.040 7.804 1.00 0.00 C ATOM 125 CD ARG A 7 4.153 -3.915 8.098 1.00 0.00 C ATOM 126 NE ARG A 7 5.468 -4.495 8.345 1.00 0.00 N ATOM 127 CZ ARG A 7 6.631 -3.868 8.543 1.00 0.00 C ATOM 128 NH1 ARG A 7 6.725 -2.551 8.647 1.00 0.00 N ATOM 129 NH2 ARG A 7 7.730 -4.599 8.602 1.00 0.00 N ATOM 0 H ARG A 7 0.072 -3.429 5.900 1.00 0.00 H new ATOM 0 HA ARG A 7 2.669 -4.266 5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.685 -3.501 7.540 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.020 -5.113 7.712 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.000 -5.609 8.717 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.622 -5.724 7.083 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.197 -3.222 7.257 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.823 -3.343 8.965 1.00 0.00 H new ATOM 0 HE ARG A 7 5.505 -5.514 8.370 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.888 -1.973 8.576 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.635 -2.115 8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.675 -5.612 8.497 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.634 -4.150 8.752 1.00 0.00 H new ATOM 143 N ALA A 8 0.468 -6.743 5.541 1.00 0.00 N ATOM 144 CA ALA A 8 0.226 -8.155 5.320 1.00 0.00 C ATOM 145 C ALA A 8 0.530 -8.486 3.869 1.00 0.00 C ATOM 146 O ALA A 8 1.336 -9.372 3.607 1.00 0.00 O ATOM 147 CB ALA A 8 -1.211 -8.535 5.699 1.00 0.00 C ATOM 0 H ALA A 8 -0.360 -6.237 5.855 1.00 0.00 H new ATOM 0 HA ALA A 8 0.884 -8.742 5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.364 -9.600 5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.380 -8.313 6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.911 -7.962 5.091 1.00 0.00 H new ATOM 153 N ARG A 9 -0.074 -7.786 2.908 1.00 0.00 N ATOM 154 CA ARG A 9 0.114 -8.103 1.495 1.00 0.00 C ATOM 155 C ARG A 9 1.518 -7.746 0.997 1.00 0.00 C ATOM 156 O ARG A 9 2.028 -8.443 0.125 1.00 0.00 O ATOM 157 CB ARG A 9 -1.008 -7.431 0.710 1.00 0.00 C ATOM 158 CG ARG A 9 -0.941 -7.534 -0.814 1.00 0.00 C ATOM 159 CD ARG A 9 -0.994 -8.936 -1.412 1.00 0.00 C ATOM 160 NE ARG A 9 -0.979 -8.863 -2.886 1.00 0.00 N ATOM 161 CZ ARG A 9 -1.692 -9.644 -3.711 1.00 0.00 C ATOM 162 NH1 ARG A 9 -2.546 -10.546 -3.239 1.00 0.00 N ATOM 163 NH2 ARG A 9 -1.565 -9.489 -5.019 1.00 0.00 N ATOM 0 H ARG A 9 -0.696 -6.997 3.084 1.00 0.00 H new ATOM 0 HA ARG A 9 0.051 -9.180 1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.955 -7.859 1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.025 -6.375 0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.766 -6.956 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.019 -7.058 -1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.144 -9.521 -1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.895 -9.449 -1.075 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.376 -8.160 -3.313 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.669 -10.654 -2.232 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.079 -11.130 -3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.930 -8.782 -5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.102 -10.077 -5.657 1.00 0.00 H new ATOM 177 N ARG A 10 2.183 -6.722 1.538 1.00 0.00 N ATOM 178 CA ARG A 10 3.596 -6.465 1.245 1.00 0.00 C ATOM 179 C ARG A 10 4.439 -7.669 1.613 1.00 0.00 C ATOM 180 O ARG A 10 5.237 -8.134 0.808 1.00 0.00 O ATOM 181 CB ARG A 10 4.053 -5.250 2.046 1.00 0.00 C ATOM 182 CG ARG A 10 5.538 -4.879 1.850 1.00 0.00 C ATOM 183 CD ARG A 10 5.810 -3.373 1.985 1.00 0.00 C ATOM 184 NE ARG A 10 4.853 -2.715 2.866 1.00 0.00 N ATOM 185 CZ ARG A 10 4.903 -2.543 4.174 1.00 0.00 C ATOM 186 NH1 ARG A 10 5.907 -2.950 4.939 1.00 0.00 N ATOM 187 NH2 ARG A 10 3.879 -1.907 4.698 1.00 0.00 N ATOM 0 H ARG A 10 1.763 -6.054 2.185 1.00 0.00 H new ATOM 0 HA ARG A 10 3.715 -6.274 0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.438 -4.394 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.875 -5.440 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.140 -5.417 2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.862 -5.213 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.819 -3.221 2.370 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.772 -2.909 0.999 1.00 0.00 H new ATOM 0 HE ARG A 10 4.027 -2.333 2.406 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.705 -3.429 4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.881 -2.784 5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.118 -1.585 4.100 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.845 -1.736 5.703 1.00 0.00 H new ATOM 201 N ILE A 11 4.257 -8.148 2.833 1.00 0.00 N ATOM 202 CA ILE A 11 4.921 -9.334 3.361 1.00 0.00 C ATOM 203 C ILE A 11 4.492 -10.595 2.596 1.00 0.00 C ATOM 204 O ILE A 11 5.313 -11.481 2.380 1.00 0.00 O ATOM 205 CB ILE A 11 4.674 -9.407 4.880 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.349 -8.225 5.625 1.00 0.00 C ATOM 207 CG2 ILE A 11 5.137 -10.735 5.487 1.00 0.00 C ATOM 208 CD1 ILE A 11 6.884 -8.177 5.561 1.00 0.00 C ATOM 0 H ILE A 11 3.625 -7.711 3.504 1.00 0.00 H new ATOM 0 HA ILE A 11 5.998 -9.268 3.210 1.00 0.00 H new ATOM 0 HB ILE A 11 3.594 -9.337 5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.959 -7.293 5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.050 -8.263 6.672 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.940 -10.733 6.559 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.595 -11.557 5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.206 -10.861 5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.244 -7.311 6.115 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.295 -9.086 6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.203 -8.101 4.521 1.00 0.00 H new ATOM 220 N GLN A 12 3.249 -10.683 2.126 1.00 0.00 N ATOM 221 CA GLN A 12 2.773 -11.744 1.234 1.00 0.00 C ATOM 222 C GLN A 12 3.548 -11.761 -0.086 1.00 0.00 C ATOM 223 O GLN A 12 3.836 -12.829 -0.627 1.00 0.00 O ATOM 224 CB GLN A 12 1.269 -11.549 0.987 1.00 0.00 C ATOM 225 CG GLN A 12 0.490 -12.797 0.572 1.00 0.00 C ATOM 226 CD GLN A 12 -1.012 -12.495 0.565 1.00 0.00 C ATOM 227 OE1 GLN A 12 -1.621 -12.313 1.618 1.00 0.00 O ATOM 228 NE2 GLN A 12 -1.644 -12.387 -0.592 1.00 0.00 N ATOM 0 H GLN A 12 2.526 -10.003 2.359 1.00 0.00 H new ATOM 0 HA GLN A 12 2.943 -12.710 1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.820 -11.151 1.897 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.143 -10.792 0.212 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.809 -13.123 -0.418 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.702 -13.615 1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.139 -12.538 -1.465 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.637 -12.153 -0.611 1.00 0.00 H new ATOM 237 N LEU A 13 3.917 -10.585 -0.589 1.00 0.00 N ATOM 238 CA LEU A 13 4.822 -10.398 -1.721 1.00 0.00 C ATOM 239 C LEU A 13 6.296 -10.497 -1.286 1.00 0.00 C ATOM 240 O LEU A 13 7.186 -10.593 -2.124 1.00 0.00 O ATOM 241 CB LEU A 13 4.481 -9.049 -2.387 1.00 0.00 C ATOM 242 CG LEU A 13 5.276 -8.722 -3.666 1.00 0.00 C ATOM 243 CD1 LEU A 13 5.118 -9.805 -4.737 1.00 0.00 C ATOM 244 CD2 LEU A 13 4.794 -7.380 -4.234 1.00 0.00 C ATOM 0 H LEU A 13 3.581 -9.702 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 13 4.686 -11.195 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.418 -9.041 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.649 -8.253 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 13 6.331 -8.671 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.696 -9.531 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.479 -10.757 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.066 -9.899 -5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.354 -7.146 -5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.732 -7.446 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.953 -6.594 -3.495 1.00 0.00 H new ATOM 256 N GLY A 14 6.562 -10.524 0.019 1.00 0.00 N ATOM 257 CA GLY A 14 7.869 -10.638 0.637 1.00 0.00 C ATOM 258 C GLY A 14 8.774 -9.458 0.313 1.00 0.00 C ATOM 259 O GLY A 14 9.973 -9.671 0.115 1.00 0.00 O ATOM 0 H GLY A 14 5.817 -10.462 0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.750 -10.714 1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.346 -11.559 0.303 1.00 0.00 H new ATOM 263 N LEU A 15 8.245 -8.234 0.198 1.00 0.00 N ATOM 264 CA LEU A 15 9.044 -7.081 -0.208 1.00 0.00 C ATOM 265 C LEU A 15 9.199 -6.162 1.015 1.00 0.00 C ATOM 266 O LEU A 15 8.418 -6.236 1.968 1.00 0.00 O ATOM 267 CB LEU A 15 8.285 -6.322 -1.314 1.00 0.00 C ATOM 268 CG LEU A 15 8.807 -6.572 -2.738 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.195 -5.545 -3.701 1.00 0.00 C ATOM 270 CD2 LEU A 15 10.330 -6.625 -2.891 1.00 0.00 C ATOM 0 H LEU A 15 7.265 -8.020 0.382 1.00 0.00 H new ATOM 0 HA LEU A 15 10.020 -7.394 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.233 -6.603 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.338 -5.254 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 15 8.483 -7.582 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.567 -5.725 -4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.109 -5.640 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.474 -4.539 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.585 -6.806 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.761 -5.676 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.730 -7.431 -2.275 1.00 0.00 H new ATOM 282 N ASN A 16 10.152 -5.228 0.963 1.00 0.00 N ATOM 283 CA ASN A 16 10.317 -4.194 1.995 1.00 0.00 C ATOM 284 C ASN A 16 9.434 -2.985 1.676 1.00 0.00 C ATOM 285 O ASN A 16 8.913 -2.888 0.560 1.00 0.00 O ATOM 286 CB ASN A 16 11.778 -3.750 2.117 1.00 0.00 C ATOM 287 CG ASN A 16 12.691 -4.919 2.426 1.00 0.00 C ATOM 288 OD1 ASN A 16 12.654 -5.453 3.529 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.469 -5.387 1.472 1.00 0.00 N ATOM 0 H ASN A 16 10.832 -5.165 0.206 1.00 0.00 H new ATOM 0 HA ASN A 16 10.013 -4.626 2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.094 -3.276 1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.867 -3.000 2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.052 -6.205 1.645 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.488 -4.931 0.560 1.00 0.00 H new ATOM 296 N GLN A 17 9.299 -2.024 2.606 1.00 0.00 N ATOM 297 CA GLN A 17 8.626 -0.757 2.349 1.00 0.00 C ATOM 298 C GLN A 17 9.194 -0.073 1.116 1.00 0.00 C ATOM 299 O GLN A 17 8.423 0.263 0.224 1.00 0.00 O ATOM 300 CB GLN A 17 8.766 0.183 3.561 1.00 0.00 C ATOM 301 CG GLN A 17 8.153 -0.375 4.846 1.00 0.00 C ATOM 302 CD GLN A 17 8.409 0.538 6.042 1.00 0.00 C ATOM 303 OE1 GLN A 17 9.471 1.137 6.187 1.00 0.00 O ATOM 304 NE2 GLN A 17 7.443 0.601 6.928 1.00 0.00 N ATOM 0 H GLN A 17 9.657 -2.113 3.557 1.00 0.00 H new ATOM 0 HA GLN A 17 7.572 -0.974 2.176 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.823 0.386 3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.292 1.136 3.327 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.079 -0.503 4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.569 -1.362 5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.574 0.089 6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.561 1.162 7.772 1.00 0.00 H new ATOM 313 N ALA A 18 10.512 0.126 1.055 1.00 0.00 N ATOM 314 CA ALA A 18 11.126 0.901 -0.013 1.00 0.00 C ATOM 315 C ALA A 18 10.898 0.251 -1.371 1.00 0.00 C ATOM 316 O ALA A 18 10.733 0.946 -2.361 1.00 0.00 O ATOM 317 CB ALA A 18 12.623 1.057 0.240 1.00 0.00 C ATOM 0 H ALA A 18 11.173 -0.243 1.738 1.00 0.00 H new ATOM 0 HA ALA A 18 10.656 1.885 -0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.070 1.639 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.780 1.571 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.090 0.073 0.279 1.00 0.00 H new ATOM 323 N GLU A 19 10.847 -1.076 -1.420 1.00 0.00 N ATOM 324 CA GLU A 19 10.682 -1.802 -2.669 1.00 0.00 C ATOM 325 C GLU A 19 9.243 -1.688 -3.158 1.00 0.00 C ATOM 326 O GLU A 19 9.002 -1.375 -4.325 1.00 0.00 O ATOM 327 CB GLU A 19 11.065 -3.263 -2.463 1.00 0.00 C ATOM 328 CG GLU A 19 12.502 -3.371 -1.946 1.00 0.00 C ATOM 329 CD GLU A 19 13.167 -4.703 -2.240 1.00 0.00 C ATOM 330 OE1 GLU A 19 13.615 -4.935 -3.382 1.00 0.00 O ATOM 331 OE2 GLU A 19 13.320 -5.495 -1.283 1.00 0.00 O ATOM 0 H GLU A 19 10.919 -1.674 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 19 11.335 -1.369 -3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.381 -3.728 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.968 -3.807 -3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.098 -2.574 -2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.503 -3.207 -0.868 1.00 0.00 H new ATOM 338 N LEU A 20 8.275 -1.896 -2.251 1.00 0.00 N ATOM 339 CA LEU A 20 6.872 -1.618 -2.552 1.00 0.00 C ATOM 340 C LEU A 20 6.727 -0.173 -3.014 1.00 0.00 C ATOM 341 O LEU A 20 5.953 0.098 -3.924 1.00 0.00 O ATOM 342 CB LEU A 20 5.977 -1.880 -1.331 1.00 0.00 C ATOM 343 CG LEU A 20 4.486 -1.522 -1.549 1.00 0.00 C ATOM 344 CD1 LEU A 20 3.854 -2.343 -2.676 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.665 -1.763 -0.278 1.00 0.00 C ATOM 0 H LEU A 20 8.442 -2.254 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 20 6.550 -2.289 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.050 -2.933 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.357 -1.306 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 20 4.470 -0.465 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.809 -2.057 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.387 -2.153 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.915 -3.404 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.623 -1.502 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.732 -2.814 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.056 -1.145 0.530 1.00 0.00 H new ATOM 357 N ALA A 21 7.457 0.743 -2.387 1.00 0.00 N ATOM 358 CA ALA A 21 7.380 2.146 -2.695 1.00 0.00 C ATOM 359 C ALA A 21 7.908 2.434 -4.093 1.00 0.00 C ATOM 360 O ALA A 21 7.181 2.971 -4.926 1.00 0.00 O ATOM 361 CB ALA A 21 8.130 2.943 -1.628 1.00 0.00 C ATOM 0 H ALA A 21 8.121 0.519 -1.646 1.00 0.00 H new ATOM 0 HA ALA A 21 6.335 2.456 -2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.072 4.006 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.679 2.760 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.175 2.632 -1.609 1.00 0.00 H new ATOM 367 N GLN A 22 9.156 2.071 -4.365 1.00 0.00 N ATOM 368 CA GLN A 22 9.861 2.437 -5.577 1.00 0.00 C ATOM 369 C GLN A 22 9.190 1.835 -6.800 1.00 0.00 C ATOM 370 O GLN A 22 9.021 2.545 -7.792 1.00 0.00 O ATOM 371 CB GLN A 22 11.322 1.989 -5.491 1.00 0.00 C ATOM 372 CG GLN A 22 12.159 2.899 -4.576 1.00 0.00 C ATOM 373 CD GLN A 22 13.411 3.460 -5.250 1.00 0.00 C ATOM 374 OE1 GLN A 22 14.506 3.380 -4.697 1.00 0.00 O ATOM 375 NE2 GLN A 22 13.303 4.064 -6.424 1.00 0.00 N ATOM 0 H GLN A 22 9.715 1.500 -3.731 1.00 0.00 H new ATOM 0 HA GLN A 22 9.831 3.522 -5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.364 0.965 -5.119 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.757 1.983 -6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.538 3.727 -4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.454 2.337 -3.690 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.394 4.130 -6.882 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.129 4.463 -6.870 1.00 0.00 H new ATOM 384 N LYS A 23 8.753 0.571 -6.743 1.00 0.00 N ATOM 385 CA LYS A 23 8.115 -0.047 -7.891 1.00 0.00 C ATOM 386 C LYS A 23 6.702 0.507 -8.131 1.00 0.00 C ATOM 387 O LYS A 23 6.107 0.230 -9.174 1.00 0.00 O ATOM 388 CB LYS A 23 8.300 -1.577 -7.803 1.00 0.00 C ATOM 389 CG LYS A 23 7.064 -2.469 -7.656 1.00 0.00 C ATOM 390 CD LYS A 23 6.536 -2.499 -6.219 1.00 0.00 C ATOM 391 CE LYS A 23 5.176 -3.200 -6.148 1.00 0.00 C ATOM 392 NZ LYS A 23 5.217 -4.567 -6.720 1.00 0.00 N ATOM 0 H LYS A 23 8.832 -0.029 -5.922 1.00 0.00 H new ATOM 0 HA LYS A 23 8.602 0.230 -8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.831 -1.896 -8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.955 -1.781 -6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.279 -2.111 -8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.311 -3.483 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.249 -3.015 -5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.445 -1.481 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.851 -3.253 -5.109 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.435 -2.606 -6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.255 -4.963 -6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.598 -4.527 -7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.826 -5.171 -6.132 1.00 0.00 H new ATOM 406 N VAL A 24 6.164 1.320 -7.214 1.00 0.00 N ATOM 407 CA VAL A 24 4.970 2.127 -7.447 1.00 0.00 C ATOM 408 C VAL A 24 5.372 3.556 -7.846 1.00 0.00 C ATOM 409 O VAL A 24 4.665 4.183 -8.634 1.00 0.00 O ATOM 410 CB VAL A 24 4.078 2.084 -6.189 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.762 2.835 -6.392 1.00 0.00 C ATOM 412 CG2 VAL A 24 3.670 0.638 -5.864 1.00 0.00 C ATOM 0 H VAL A 24 6.554 1.434 -6.278 1.00 0.00 H new ATOM 0 HA VAL A 24 4.389 1.723 -8.276 1.00 0.00 H new ATOM 0 HB VAL A 24 4.669 2.539 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.166 2.778 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.971 3.879 -6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.209 2.384 -7.216 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.041 0.629 -4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.116 0.219 -6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.563 0.040 -5.684 1.00 0.00 H new ATOM 422 N GLY A 25 6.501 4.072 -7.358 1.00 0.00 N ATOM 423 CA GLY A 25 6.978 5.427 -7.592 1.00 0.00 C ATOM 424 C GLY A 25 6.681 6.373 -6.435 1.00 0.00 C ATOM 425 O GLY A 25 6.683 7.590 -6.625 1.00 0.00 O ATOM 0 H GLY A 25 7.131 3.531 -6.765 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.054 5.402 -7.766 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.517 5.817 -8.500 1.00 0.00 H new ATOM 429 N VAL A 26 6.369 5.842 -5.257 1.00 0.00 N ATOM 430 CA VAL A 26 6.122 6.581 -4.036 1.00 0.00 C ATOM 431 C VAL A 26 7.371 6.502 -3.152 1.00 0.00 C ATOM 432 O VAL A 26 8.319 5.774 -3.469 1.00 0.00 O ATOM 433 CB VAL A 26 4.851 6.022 -3.371 1.00 0.00 C ATOM 434 CG1 VAL A 26 3.664 6.000 -4.344 1.00 0.00 C ATOM 435 CG2 VAL A 26 4.956 4.610 -2.794 1.00 0.00 C ATOM 0 H VAL A 26 6.279 4.834 -5.128 1.00 0.00 H new ATOM 0 HA VAL A 26 5.939 7.639 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 26 4.705 6.714 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.786 5.599 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.455 7.014 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.907 5.372 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.001 4.325 -2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.211 3.910 -3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.731 4.587 -2.028 1.00 0.00 H new ATOM 445 N ASP A 27 7.401 7.242 -2.048 1.00 0.00 N ATOM 446 CA ASP A 27 8.494 7.241 -1.100 1.00 0.00 C ATOM 447 C ASP A 27 8.320 6.019 -0.188 1.00 0.00 C ATOM 448 O ASP A 27 7.194 5.599 0.094 1.00 0.00 O ATOM 449 CB ASP A 27 8.506 8.511 -0.217 1.00 0.00 C ATOM 450 CG ASP A 27 7.274 9.428 -0.091 1.00 0.00 C ATOM 451 OD1 ASP A 27 6.426 9.545 -1.005 1.00 0.00 O ATOM 452 OD2 ASP A 27 7.175 10.088 0.968 1.00 0.00 O ATOM 0 H ASP A 27 6.643 7.873 -1.787 1.00 0.00 H new ATOM 0 HA ASP A 27 9.432 7.213 -1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.764 8.190 0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.327 9.134 -0.573 1.00 0.00 H new ATOM 457 N GLN A 28 9.413 5.505 0.381 1.00 0.00 N ATOM 458 CA GLN A 28 9.413 4.484 1.433 1.00 0.00 C ATOM 459 C GLN A 28 8.545 4.965 2.596 1.00 0.00 C ATOM 460 O GLN A 28 7.698 4.236 3.110 1.00 0.00 O ATOM 461 CB GLN A 28 10.860 4.248 1.899 1.00 0.00 C ATOM 462 CG GLN A 28 10.979 3.186 3.004 1.00 0.00 C ATOM 463 CD GLN A 28 12.282 3.343 3.774 1.00 0.00 C ATOM 464 OE1 GLN A 28 13.349 2.911 3.341 1.00 0.00 O ATOM 465 NE2 GLN A 28 12.221 4.008 4.911 1.00 0.00 N ATOM 0 H GLN A 28 10.353 5.797 0.114 1.00 0.00 H new ATOM 0 HA GLN A 28 9.005 3.546 1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.464 3.942 1.045 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.275 5.188 2.262 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.135 3.273 3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.931 2.190 2.563 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.325 4.357 5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.070 4.174 5.451 1.00 0.00 H new ATOM 474 N GLN A 29 8.750 6.228 2.966 1.00 0.00 N ATOM 475 CA GLN A 29 7.933 6.980 3.890 1.00 0.00 C ATOM 476 C GLN A 29 6.433 6.839 3.638 1.00 0.00 C ATOM 477 O GLN A 29 5.674 6.692 4.595 1.00 0.00 O ATOM 478 CB GLN A 29 8.404 8.438 3.821 1.00 0.00 C ATOM 479 CG GLN A 29 7.890 9.354 4.931 1.00 0.00 C ATOM 480 CD GLN A 29 6.429 9.778 4.724 1.00 0.00 C ATOM 481 OE1 GLN A 29 5.639 9.793 5.663 1.00 0.00 O ATOM 482 NE2 GLN A 29 6.011 10.134 3.516 1.00 0.00 N ATOM 0 H GLN A 29 9.533 6.774 2.606 1.00 0.00 H new ATOM 0 HA GLN A 29 8.062 6.580 4.896 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.494 8.450 3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.098 8.854 2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.983 8.843 5.889 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.518 10.243 4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.660 10.125 2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.041 10.417 3.375 1.00 0.00 H new ATOM 491 N ALA A 30 5.990 6.904 2.380 1.00 0.00 N ATOM 492 CA ALA A 30 4.573 6.800 2.073 1.00 0.00 C ATOM 493 C ALA A 30 4.024 5.448 2.526 1.00 0.00 C ATOM 494 O ALA A 30 2.892 5.388 3.001 1.00 0.00 O ATOM 495 CB ALA A 30 4.316 7.018 0.582 1.00 0.00 C ATOM 0 H ALA A 30 6.593 7.027 1.566 1.00 0.00 H new ATOM 0 HA ALA A 30 4.050 7.584 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.248 6.935 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.663 8.010 0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.854 6.265 0.006 1.00 0.00 H new ATOM 501 N ILE A 31 4.808 4.369 2.409 1.00 0.00 N ATOM 502 CA ILE A 31 4.385 3.050 2.854 1.00 0.00 C ATOM 503 C ILE A 31 4.310 3.009 4.383 1.00 0.00 C ATOM 504 O ILE A 31 3.374 2.416 4.915 1.00 0.00 O ATOM 505 CB ILE A 31 5.314 1.964 2.272 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.415 2.000 0.738 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.875 0.564 2.719 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.100 2.099 -0.046 1.00 0.00 C ATOM 0 H ILE A 31 5.745 4.392 2.006 1.00 0.00 H new ATOM 0 HA ILE A 31 3.383 2.841 2.479 1.00 0.00 H new ATOM 0 HB ILE A 31 6.305 2.187 2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.040 2.849 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.937 1.100 0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.547 -0.181 2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.907 0.503 3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.859 0.374 2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.314 2.116 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.473 1.238 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.578 3.014 0.234 1.00 0.00 H new ATOM 520 N GLU A 32 5.253 3.636 5.090 1.00 0.00 N ATOM 521 CA GLU A 32 5.212 3.713 6.548 1.00 0.00 C ATOM 522 C GLU A 32 3.967 4.469 7.005 1.00 0.00 C ATOM 523 O GLU A 32 3.245 4.008 7.888 1.00 0.00 O ATOM 524 CB GLU A 32 6.475 4.402 7.080 1.00 0.00 C ATOM 525 CG GLU A 32 6.419 4.602 8.602 1.00 0.00 C ATOM 526 CD GLU A 32 6.427 3.277 9.367 1.00 0.00 C ATOM 527 OE1 GLU A 32 7.409 2.514 9.205 1.00 0.00 O ATOM 528 OE2 GLU A 32 5.511 3.039 10.186 1.00 0.00 O ATOM 0 H GLU A 32 6.059 4.100 4.671 1.00 0.00 H new ATOM 0 HA GLU A 32 5.171 2.700 6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.350 3.804 6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.595 5.369 6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.270 5.205 8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.519 5.161 8.859 1.00 0.00 H new ATOM 535 N GLN A 33 3.699 5.645 6.438 1.00 0.00 N ATOM 536 CA GLN A 33 2.550 6.398 6.903 1.00 0.00 C ATOM 537 C GLN A 33 1.262 5.630 6.594 1.00 0.00 C ATOM 538 O GLN A 33 0.323 5.657 7.382 1.00 0.00 O ATOM 539 CB GLN A 33 2.589 7.840 6.394 1.00 0.00 C ATOM 540 CG GLN A 33 1.937 8.049 5.031 1.00 0.00 C ATOM 541 CD GLN A 33 1.872 9.537 4.679 1.00 0.00 C ATOM 542 OE1 GLN A 33 0.796 10.109 4.510 1.00 0.00 O ATOM 543 NE2 GLN A 33 3.003 10.216 4.609 1.00 0.00 N ATOM 0 H GLN A 33 4.239 6.077 5.688 1.00 0.00 H new ATOM 0 HA GLN A 33 2.580 6.497 7.988 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.093 8.482 7.122 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.628 8.164 6.339 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.502 7.515 4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.932 7.628 5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.894 9.739 4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.986 11.217 4.414 1.00 0.00 H new ATOM 552 N LEU A 34 1.212 4.902 5.476 1.00 0.00 N ATOM 553 CA LEU A 34 0.067 4.096 5.091 1.00 0.00 C ATOM 554 C LEU A 34 -0.125 2.971 6.116 1.00 0.00 C ATOM 555 O LEU A 34 -1.260 2.604 6.406 1.00 0.00 O ATOM 556 CB LEU A 34 0.359 3.483 3.715 1.00 0.00 C ATOM 557 CG LEU A 34 -0.405 4.227 2.616 1.00 0.00 C ATOM 558 CD1 LEU A 34 0.233 3.946 1.254 1.00 0.00 C ATOM 559 CD2 LEU A 34 -1.893 3.902 2.512 1.00 0.00 C ATOM 0 H LEU A 34 1.981 4.860 4.807 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.835 4.707 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.429 3.525 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.075 2.431 3.713 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.335 5.276 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.316 4.479 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.270 4.283 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.201 2.876 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.337 4.483 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.020 2.839 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.387 4.152 3.451 1.00 0.00 H new ATOM 571 N GLU A 35 0.974 2.444 6.666 1.00 0.00 N ATOM 572 CA GLU A 35 0.953 1.403 7.702 1.00 0.00 C ATOM 573 C GLU A 35 0.330 1.942 8.980 1.00 0.00 C ATOM 574 O GLU A 35 -0.479 1.263 9.615 1.00 0.00 O ATOM 575 CB GLU A 35 2.348 0.878 8.072 1.00 0.00 C ATOM 576 CG GLU A 35 2.861 -0.256 7.197 1.00 0.00 C ATOM 577 CD GLU A 35 4.254 -0.681 7.671 1.00 0.00 C ATOM 578 OE1 GLU A 35 4.460 -0.967 8.864 1.00 0.00 O ATOM 579 OE2 GLU A 35 5.130 -0.913 6.808 1.00 0.00 O ATOM 0 H GLU A 35 1.916 2.732 6.401 1.00 0.00 H new ATOM 0 HA GLU A 35 0.372 0.585 7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.056 1.705 8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.329 0.538 9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.176 -1.103 7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.902 0.064 6.156 1.00 0.00 H new ATOM 586 N ASN A 36 0.723 3.147 9.393 1.00 0.00 N ATOM 587 CA ASN A 36 0.213 3.726 10.618 1.00 0.00 C ATOM 588 C ASN A 36 -1.172 4.359 10.412 1.00 0.00 C ATOM 589 O ASN A 36 -1.850 4.695 11.383 1.00 0.00 O ATOM 590 CB ASN A 36 1.305 4.589 11.265 1.00 0.00 C ATOM 591 CG ASN A 36 1.435 6.016 10.777 1.00 0.00 C ATOM 592 OD1 ASN A 36 0.461 6.756 10.756 1.00 0.00 O ATOM 593 ND2 ASN A 36 2.648 6.440 10.469 1.00 0.00 N ATOM 0 H ASN A 36 1.391 3.733 8.893 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.004 2.960 11.363 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.124 4.614 12.340 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.263 4.091 11.115 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.796 7.413 10.203 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.437 5.794 10.498 1.00 0.00 H new ATOM 600 N GLY A 37 -1.654 4.413 9.165 1.00 0.00 N ATOM 601 CA GLY A 37 -2.991 4.851 8.794 1.00 0.00 C ATOM 602 C GLY A 37 -3.041 6.327 8.423 1.00 0.00 C ATOM 603 O GLY A 37 -4.126 6.874 8.231 1.00 0.00 O ATOM 0 H GLY A 37 -1.094 4.140 8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.344 4.256 7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.674 4.665 9.623 1.00 0.00 H new ATOM 607 N LYS A 38 -1.890 6.989 8.301 1.00 0.00 N ATOM 608 CA LYS A 38 -1.777 8.419 8.070 1.00 0.00 C ATOM 609 C LYS A 38 -2.152 8.791 6.636 1.00 0.00 C ATOM 610 O LYS A 38 -2.413 9.976 6.415 1.00 0.00 O ATOM 611 CB LYS A 38 -0.335 8.858 8.388 1.00 0.00 C ATOM 612 CG LYS A 38 -0.175 9.588 9.728 1.00 0.00 C ATOM 613 CD LYS A 38 -0.748 11.005 9.708 1.00 0.00 C ATOM 614 CE LYS A 38 -0.424 11.711 11.026 1.00 0.00 C ATOM 615 NZ LYS A 38 -0.953 13.086 11.039 1.00 0.00 N ATOM 0 H LYS A 38 -0.984 6.524 8.363 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.477 8.939 8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.308 7.978 8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.018 9.510 7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.670 9.013 10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.883 9.633 9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.329 11.565 8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.827 10.969 9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.848 11.148 11.857 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.656 11.733 11.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.718 13.540 11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.529 13.629 10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.986 13.062 10.922 1.00 0.00 H new ATOM 629 N ALA A 39 -2.218 7.854 5.678 1.00 0.00 N ATOM 630 CA ALA A 39 -2.792 8.094 4.363 1.00 0.00 C ATOM 631 C ALA A 39 -3.950 7.123 4.141 1.00 0.00 C ATOM 632 O ALA A 39 -3.741 6.006 3.680 1.00 0.00 O ATOM 633 CB ALA A 39 -1.697 7.934 3.310 1.00 0.00 C ATOM 0 H ALA A 39 -1.869 6.904 5.804 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.187 9.107 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.116 8.112 2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.900 8.653 3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.292 6.923 3.357 1.00 0.00 H new ATOM 639 N LYS A 40 -5.175 7.518 4.482 1.00 0.00 N ATOM 640 CA LYS A 40 -6.367 6.690 4.283 1.00 0.00 C ATOM 641 C LYS A 40 -6.601 6.414 2.797 1.00 0.00 C ATOM 642 O LYS A 40 -6.938 5.291 2.427 1.00 0.00 O ATOM 643 CB LYS A 40 -7.555 7.387 4.965 1.00 0.00 C ATOM 644 CG LYS A 40 -8.755 6.510 5.356 1.00 0.00 C ATOM 645 CD LYS A 40 -9.797 6.306 4.254 1.00 0.00 C ATOM 646 CE LYS A 40 -10.985 5.534 4.828 1.00 0.00 C ATOM 647 NZ LYS A 40 -12.138 5.530 3.911 1.00 0.00 N ATOM 0 H LYS A 40 -5.372 8.425 4.906 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.236 5.710 4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.187 7.877 5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.913 8.172 4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.385 5.534 5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.246 6.957 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.127 7.269 3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.360 5.758 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.684 4.507 5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.280 5.978 5.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.921 4.996 4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.443 6.508 3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.865 5.083 3.012 1.00 0.00 H new ATOM 661 N ARG A 41 -6.471 7.427 1.936 1.00 0.00 N ATOM 662 CA ARG A 41 -6.761 7.375 0.517 1.00 0.00 C ATOM 663 C ARG A 41 -5.578 8.022 -0.205 1.00 0.00 C ATOM 664 O ARG A 41 -5.594 9.235 -0.431 1.00 0.00 O ATOM 665 CB ARG A 41 -8.123 8.028 0.186 1.00 0.00 C ATOM 666 CG ARG A 41 -9.038 8.488 1.334 1.00 0.00 C ATOM 667 CD ARG A 41 -8.594 9.764 2.083 1.00 0.00 C ATOM 668 NE ARG A 41 -8.561 10.948 1.213 1.00 0.00 N ATOM 669 CZ ARG A 41 -9.638 11.567 0.715 1.00 0.00 C ATOM 670 NH1 ARG A 41 -10.859 11.234 1.122 1.00 0.00 N ATOM 671 NH2 ARG A 41 -9.486 12.511 -0.202 1.00 0.00 N ATOM 0 H ARG A 41 -6.144 8.346 2.233 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.869 6.346 0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.925 8.896 -0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.688 7.318 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.037 8.656 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.118 7.676 2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.274 9.948 2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.604 9.604 2.510 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.646 11.328 0.970 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.982 10.501 1.820 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.673 11.712 0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.552 12.763 -0.525 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.303 12.986 -0.585 1.00 0.00 H new ATOM 685 N PRO A 42 -4.505 7.275 -0.500 1.00 0.00 N ATOM 686 CA PRO A 42 -3.331 7.869 -1.114 1.00 0.00 C ATOM 687 C PRO A 42 -3.606 8.229 -2.580 1.00 0.00 C ATOM 688 O PRO A 42 -4.259 7.477 -3.305 1.00 0.00 O ATOM 689 CB PRO A 42 -2.242 6.809 -0.987 1.00 0.00 C ATOM 690 CG PRO A 42 -3.010 5.489 -0.978 1.00 0.00 C ATOM 691 CD PRO A 42 -4.314 5.849 -0.266 1.00 0.00 C ATOM 0 HA PRO A 42 -3.037 8.802 -0.632 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.540 6.857 -1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.662 6.940 -0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.191 5.121 -1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.464 4.709 -0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.149 5.271 -0.661 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.252 5.631 0.800 1.00 0.00 H new ATOM 699 N ARG A 43 -3.000 9.319 -3.055 1.00 0.00 N ATOM 700 CA ARG A 43 -3.048 9.855 -4.424 1.00 0.00 C ATOM 701 C ARG A 43 -2.508 8.916 -5.514 1.00 0.00 C ATOM 702 O ARG A 43 -2.388 9.322 -6.671 1.00 0.00 O ATOM 703 CB ARG A 43 -2.289 11.197 -4.434 1.00 0.00 C ATOM 704 CG ARG A 43 -0.767 11.047 -4.227 1.00 0.00 C ATOM 705 CD ARG A 43 -0.112 12.411 -3.995 1.00 0.00 C ATOM 706 NE ARG A 43 1.349 12.297 -3.845 1.00 0.00 N ATOM 707 CZ ARG A 43 2.200 13.321 -3.705 1.00 0.00 C ATOM 708 NH1 ARG A 43 1.777 14.578 -3.714 1.00 0.00 N ATOM 709 NH2 ARG A 43 3.491 13.069 -3.553 1.00 0.00 N ATOM 0 H ARG A 43 -2.417 9.897 -2.449 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.100 9.981 -4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.470 11.700 -5.384 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.692 11.839 -3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.574 10.396 -3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.322 10.569 -5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.341 13.071 -4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.535 12.870 -3.101 1.00 0.00 H new ATOM 0 HE ARG A 43 1.746 11.358 -3.848 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.784 14.781 -3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.445 15.342 -3.606 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.825 12.105 -3.544 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.152 13.839 -3.445 1.00 0.00 H new ATOM 723 N PHE A 44 -2.133 7.695 -5.150 1.00 0.00 N ATOM 724 CA PHE A 44 -1.485 6.690 -5.975 1.00 0.00 C ATOM 725 C PHE A 44 -2.158 5.320 -5.800 1.00 0.00 C ATOM 726 O PHE A 44 -1.608 4.313 -6.233 1.00 0.00 O ATOM 727 CB PHE A 44 0.011 6.676 -5.620 1.00 0.00 C ATOM 728 CG PHE A 44 0.325 6.512 -4.143 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.115 5.272 -3.513 1.00 0.00 C ATOM 730 CD2 PHE A 44 0.870 7.581 -3.402 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.462 5.092 -2.167 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.217 7.400 -2.050 1.00 0.00 C ATOM 733 CZ PHE A 44 1.019 6.152 -1.434 1.00 0.00 C ATOM 0 H PHE A 44 -2.287 7.360 -4.199 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.588 6.932 -7.033 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.490 5.865 -6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.459 7.606 -5.969 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.316 4.453 -4.070 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.021 8.541 -3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.300 4.135 -1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.636 8.220 -1.486 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.295 6.009 -0.400 1.00 0.00 H new ATOM 743 N LEU A 45 -3.333 5.249 -5.160 1.00 0.00 N ATOM 744 CA LEU A 45 -4.114 4.032 -4.925 1.00 0.00 C ATOM 745 C LEU A 45 -4.123 3.067 -6.120 1.00 0.00 C ATOM 746 O LEU A 45 -3.736 1.921 -5.904 1.00 0.00 O ATOM 747 CB LEU A 45 -5.554 4.442 -4.512 1.00 0.00 C ATOM 748 CG LEU A 45 -5.991 4.099 -3.074 1.00 0.00 C ATOM 749 CD1 LEU A 45 -6.911 5.190 -2.506 1.00 0.00 C ATOM 750 CD2 LEU A 45 -6.768 2.802 -2.949 1.00 0.00 C ATOM 0 H LEU A 45 -3.784 6.079 -4.775 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.635 3.474 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.653 5.519 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.253 3.968 -5.201 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.052 4.011 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.206 4.925 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.381 6.142 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.800 5.278 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.036 2.637 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.675 2.861 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.153 1.974 -3.300 1.00 0.00 H new ATOM 762 N PRO A 46 -4.508 3.460 -7.351 1.00 0.00 N ATOM 763 CA PRO A 46 -4.533 2.529 -8.480 1.00 0.00 C ATOM 764 C PRO A 46 -3.149 1.986 -8.826 1.00 0.00 C ATOM 765 O PRO A 46 -3.010 0.806 -9.135 1.00 0.00 O ATOM 766 CB PRO A 46 -5.172 3.294 -9.644 1.00 0.00 C ATOM 767 CG PRO A 46 -4.989 4.762 -9.277 1.00 0.00 C ATOM 768 CD PRO A 46 -5.045 4.753 -7.755 1.00 0.00 C ATOM 0 HA PRO A 46 -5.112 1.639 -8.235 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.685 3.057 -10.590 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.226 3.040 -9.755 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.039 5.152 -9.642 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.775 5.384 -9.705 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.457 5.570 -7.336 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.067 4.881 -7.400 1.00 0.00 H new ATOM 776 N GLU A 47 -2.113 2.815 -8.746 1.00 0.00 N ATOM 777 CA GLU A 47 -0.752 2.410 -9.042 1.00 0.00 C ATOM 778 C GLU A 47 -0.293 1.388 -8.009 1.00 0.00 C ATOM 779 O GLU A 47 0.247 0.339 -8.370 1.00 0.00 O ATOM 780 CB GLU A 47 0.159 3.638 -9.000 1.00 0.00 C ATOM 781 CG GLU A 47 -0.126 4.662 -10.103 1.00 0.00 C ATOM 782 CD GLU A 47 0.609 5.962 -9.792 1.00 0.00 C ATOM 783 OE1 GLU A 47 1.856 5.992 -9.929 1.00 0.00 O ATOM 784 OE2 GLU A 47 -0.059 6.920 -9.337 1.00 0.00 O ATOM 0 H GLU A 47 -2.200 3.793 -8.471 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.707 1.961 -10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.052 4.124 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.196 3.312 -9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.196 4.272 -11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.198 4.846 -10.175 1.00 0.00 H new ATOM 791 N LEU A 48 -0.511 1.680 -6.717 1.00 0.00 N ATOM 792 CA LEU A 48 -0.082 0.775 -5.666 1.00 0.00 C ATOM 793 C LEU A 48 -0.856 -0.522 -5.770 1.00 0.00 C ATOM 794 O LEU A 48 -0.278 -1.584 -5.579 1.00 0.00 O ATOM 795 CB LEU A 48 -0.243 1.405 -4.284 1.00 0.00 C ATOM 796 CG LEU A 48 0.492 0.573 -3.204 1.00 0.00 C ATOM 797 CD1 LEU A 48 1.567 1.396 -2.496 1.00 0.00 C ATOM 798 CD2 LEU A 48 -0.466 0.025 -2.145 1.00 0.00 C ATOM 0 H LEU A 48 -0.976 2.526 -6.389 1.00 0.00 H new ATOM 0 HA LEU A 48 0.980 0.566 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.151 2.421 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.302 1.477 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 48 0.953 -0.259 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.061 0.780 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.301 1.739 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.106 2.257 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.096 -0.551 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.971 0.853 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.206 -0.618 -2.622 1.00 0.00 H new ATOM 810 N ALA A 49 -2.144 -0.440 -6.090 1.00 0.00 N ATOM 811 CA ALA A 49 -2.981 -1.607 -6.257 1.00 0.00 C ATOM 812 C ALA A 49 -2.472 -2.492 -7.389 1.00 0.00 C ATOM 813 O ALA A 49 -2.161 -3.657 -7.132 1.00 0.00 O ATOM 814 CB ALA A 49 -4.437 -1.178 -6.468 1.00 0.00 C ATOM 0 H ALA A 49 -2.631 0.444 -6.240 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.937 -2.208 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.062 -2.062 -6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.779 -0.612 -5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.507 -0.555 -7.360 1.00 0.00 H new ATOM 820 N ARG A 50 -2.332 -1.969 -8.614 1.00 0.00 N ATOM 821 CA ARG A 50 -1.902 -2.805 -9.734 1.00 0.00 C ATOM 822 C ARG A 50 -0.522 -3.384 -9.468 1.00 0.00 C ATOM 823 O ARG A 50 -0.322 -4.577 -9.703 1.00 0.00 O ATOM 824 CB ARG A 50 -1.919 -2.054 -11.071 1.00 0.00 C ATOM 825 CG ARG A 50 -3.329 -1.596 -11.477 1.00 0.00 C ATOM 826 CD ARG A 50 -3.514 -1.542 -12.995 1.00 0.00 C ATOM 827 NE ARG A 50 -2.455 -0.770 -13.676 1.00 0.00 N ATOM 828 CZ ARG A 50 -1.716 -1.189 -14.712 1.00 0.00 C ATOM 829 NH1 ARG A 50 -1.869 -2.407 -15.221 1.00 0.00 N ATOM 830 NH2 ARG A 50 -0.806 -0.395 -15.256 1.00 0.00 N ATOM 0 H ARG A 50 -2.507 -0.992 -8.849 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.623 -3.619 -9.817 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.265 -1.185 -11.003 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.513 -2.699 -11.850 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.066 -2.276 -11.049 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.522 -0.610 -11.055 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.528 -2.558 -13.391 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.483 -1.098 -13.222 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.269 0.169 -13.325 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.560 -3.043 -14.823 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.296 -2.706 -16.010 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.663 0.545 -14.886 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.248 -0.723 -16.044 1.00 0.00 H new ATOM 844 N ALA A 51 0.422 -2.590 -8.957 1.00 0.00 N ATOM 845 CA ALA A 51 1.750 -3.099 -8.667 1.00 0.00 C ATOM 846 C ALA A 51 1.733 -4.092 -7.495 1.00 0.00 C ATOM 847 O ALA A 51 2.600 -4.959 -7.430 1.00 0.00 O ATOM 848 CB ALA A 51 2.723 -1.950 -8.399 1.00 0.00 C ATOM 0 H ALA A 51 0.287 -1.603 -8.740 1.00 0.00 H new ATOM 0 HA ALA A 51 2.095 -3.642 -9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.712 -2.354 -8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.777 -1.306 -9.277 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.374 -1.370 -7.545 1.00 0.00 H new ATOM 854 N LEU A 52 0.798 -3.991 -6.542 1.00 0.00 N ATOM 855 CA LEU A 52 0.664 -4.970 -5.462 1.00 0.00 C ATOM 856 C LEU A 52 -0.054 -6.237 -5.923 1.00 0.00 C ATOM 857 O LEU A 52 0.082 -7.280 -5.282 1.00 0.00 O ATOM 858 CB LEU A 52 -0.024 -4.324 -4.265 1.00 0.00 C ATOM 859 CG LEU A 52 0.079 -5.103 -2.954 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.531 -5.481 -2.603 1.00 0.00 C ATOM 861 CD2 LEU A 52 -0.475 -4.203 -1.846 1.00 0.00 C ATOM 0 H LEU A 52 0.118 -3.232 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 52 1.661 -5.286 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.402 -3.332 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.078 -4.185 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.481 -6.033 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.546 -6.033 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.947 -6.103 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.129 -4.575 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.419 -4.725 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.113 -3.287 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.514 -3.956 -2.064 1.00 0.00 H new ATOM 873 N GLY A 53 -0.859 -6.145 -6.982 1.00 0.00 N ATOM 874 CA GLY A 53 -1.608 -7.239 -7.581 1.00 0.00 C ATOM 875 C GLY A 53 -3.040 -7.315 -7.067 1.00 0.00 C ATOM 876 O GLY A 53 -3.600 -8.409 -6.970 1.00 0.00 O ATOM 0 H GLY A 53 -1.011 -5.260 -7.466 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.620 -7.117 -8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.100 -8.180 -7.372 1.00 0.00 H new ATOM 880 N VAL A 54 -3.610 -6.178 -6.673 1.00 0.00 N ATOM 881 CA VAL A 54 -4.921 -6.070 -6.049 1.00 0.00 C ATOM 882 C VAL A 54 -5.695 -4.918 -6.699 1.00 0.00 C ATOM 883 O VAL A 54 -5.147 -4.209 -7.544 1.00 0.00 O ATOM 884 CB VAL A 54 -4.767 -5.931 -4.519 1.00 0.00 C ATOM 885 CG1 VAL A 54 -3.918 -7.055 -3.901 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.156 -4.580 -4.138 1.00 0.00 C ATOM 0 H VAL A 54 -3.151 -5.274 -6.785 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.505 -6.976 -6.212 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.777 -6.004 -4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.844 -6.905 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.387 -8.018 -4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.920 -7.040 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.062 -4.516 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.171 -4.485 -4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.800 -3.776 -4.494 1.00 0.00 H new ATOM 896 N ALA A 55 -6.955 -4.726 -6.310 1.00 0.00 N ATOM 897 CA ALA A 55 -7.782 -3.610 -6.745 1.00 0.00 C ATOM 898 C ALA A 55 -7.647 -2.416 -5.789 1.00 0.00 C ATOM 899 O ALA A 55 -7.322 -2.579 -4.614 1.00 0.00 O ATOM 900 CB ALA A 55 -9.238 -4.089 -6.810 1.00 0.00 C ATOM 0 H ALA A 55 -7.436 -5.358 -5.670 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.454 -3.273 -7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.877 -3.268 -7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.319 -4.913 -7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.554 -4.427 -5.823 1.00 0.00 H new ATOM 906 N VAL A 56 -8.019 -1.224 -6.249 1.00 0.00 N ATOM 907 CA VAL A 56 -8.326 -0.041 -5.439 1.00 0.00 C ATOM 908 C VAL A 56 -9.448 -0.401 -4.466 1.00 0.00 C ATOM 909 O VAL A 56 -9.364 -0.050 -3.298 1.00 0.00 O ATOM 910 CB VAL A 56 -8.753 1.076 -6.426 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.285 2.369 -5.799 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.581 1.467 -7.332 1.00 0.00 C ATOM 0 H VAL A 56 -8.121 -1.045 -7.248 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.474 0.302 -4.851 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.582 0.623 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.551 3.073 -6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.167 2.146 -5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.516 2.809 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.898 2.252 -8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.755 1.831 -6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.255 0.597 -7.902 1.00 0.00 H new ATOM 922 N ASP A 57 -10.457 -1.163 -4.899 1.00 0.00 N ATOM 923 CA ASP A 57 -11.499 -1.682 -4.013 1.00 0.00 C ATOM 924 C ASP A 57 -10.939 -2.557 -2.906 1.00 0.00 C ATOM 925 O ASP A 57 -11.395 -2.481 -1.770 1.00 0.00 O ATOM 926 CB ASP A 57 -12.472 -2.531 -4.827 1.00 0.00 C ATOM 927 CG ASP A 57 -13.778 -2.884 -4.132 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.370 -2.007 -3.472 1.00 0.00 O ATOM 929 OD2 ASP A 57 -14.244 -4.028 -4.316 1.00 0.00 O ATOM 0 H ASP A 57 -10.573 -1.437 -5.875 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.990 -0.821 -3.560 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.705 -2.000 -5.750 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.970 -3.456 -5.109 1.00 0.00 H new ATOM 934 N TRP A 58 -9.940 -3.384 -3.215 1.00 0.00 N ATOM 935 CA TRP A 58 -9.278 -4.176 -2.200 1.00 0.00 C ATOM 936 C TRP A 58 -8.489 -3.259 -1.277 1.00 0.00 C ATOM 937 O TRP A 58 -8.539 -3.428 -0.068 1.00 0.00 O ATOM 938 CB TRP A 58 -8.364 -5.215 -2.831 1.00 0.00 C ATOM 939 CG TRP A 58 -7.672 -6.070 -1.827 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.179 -7.198 -1.305 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.398 -5.862 -1.157 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.333 -7.697 -0.344 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.179 -6.951 -0.264 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.416 -4.855 -1.206 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.012 -7.060 0.501 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.231 -4.958 -0.458 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.036 -6.057 0.389 1.00 0.00 C ATOM 0 H TRP A 58 -9.578 -3.517 -4.159 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.032 -4.707 -1.620 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -8.949 -5.849 -3.497 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.618 -4.710 -3.445 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.116 -7.648 -1.598 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -7.534 -8.513 0.234 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.576 -3.988 -1.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -4.865 -7.899 1.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.473 -4.193 -0.536 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.124 -6.133 0.963 1.00 0.00 H new ATOM 958 N LEU A 59 -7.771 -2.278 -1.817 1.00 0.00 N ATOM 959 CA LEU A 59 -7.043 -1.321 -1.008 1.00 0.00 C ATOM 960 C LEU A 59 -7.981 -0.576 -0.054 1.00 0.00 C ATOM 961 O LEU A 59 -7.659 -0.450 1.129 1.00 0.00 O ATOM 962 CB LEU A 59 -6.210 -0.396 -1.901 1.00 0.00 C ATOM 963 CG LEU A 59 -4.745 -0.833 -2.089 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.027 0.252 -2.889 1.00 0.00 C ATOM 965 CD2 LEU A 59 -3.967 -1.044 -0.776 1.00 0.00 C ATOM 0 H LEU A 59 -7.681 -2.129 -2.822 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.338 -1.852 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.685 -0.334 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.224 0.607 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.772 -1.798 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.985 -0.034 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.511 0.370 -3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.071 1.195 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.946 -1.350 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.949 -0.113 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.455 -1.819 -0.185 1.00 0.00 H new ATOM 977 N LEU A 60 -9.144 -0.136 -0.530 1.00 0.00 N ATOM 978 CA LEU A 60 -10.130 0.601 0.244 1.00 0.00 C ATOM 979 C LEU A 60 -10.822 -0.286 1.275 1.00 0.00 C ATOM 980 O LEU A 60 -10.968 0.108 2.432 1.00 0.00 O ATOM 981 CB LEU A 60 -11.175 1.174 -0.724 1.00 0.00 C ATOM 982 CG LEU A 60 -10.676 2.411 -1.499 1.00 0.00 C ATOM 983 CD1 LEU A 60 -11.645 2.730 -2.642 1.00 0.00 C ATOM 984 CD2 LEU A 60 -10.499 3.639 -0.596 1.00 0.00 C ATOM 0 H LEU A 60 -9.431 -0.290 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.622 1.398 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.464 0.400 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.071 1.442 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.693 2.169 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.289 3.604 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.701 1.878 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.635 2.935 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.146 4.481 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.454 3.894 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.770 3.416 0.183 1.00 0.00 H new ATOM 996 N ASN A 61 -11.305 -1.451 0.845 1.00 0.00 N ATOM 997 CA ASN A 61 -12.271 -2.265 1.577 1.00 0.00 C ATOM 998 C ASN A 61 -11.679 -3.571 2.097 1.00 0.00 C ATOM 999 O ASN A 61 -12.093 -4.032 3.162 1.00 0.00 O ATOM 1000 CB ASN A 61 -13.486 -2.553 0.680 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.146 -1.257 0.242 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -14.619 -0.494 1.081 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.124 -0.911 -1.033 1.00 0.00 N ATOM 0 H ASN A 61 -11.027 -1.864 -0.045 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.577 -1.693 2.453 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.172 -3.121 -0.195 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.205 -3.170 1.219 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.500 -0.008 -1.323 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.731 -1.546 -1.727 1.00 0.00 H new ATOM 1010 N GLY A 62 -10.712 -4.165 1.396 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.073 -5.419 1.777 1.00 0.00 C ATOM 1012 C GLY A 62 -10.858 -6.628 1.290 1.00 0.00 C ATOM 1013 O GLY A 62 -11.109 -7.537 2.077 1.00 0.00 O ATOM 0 H GLY A 62 -10.345 -3.776 0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.064 -5.452 1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.976 -5.462 2.862 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.240 -6.635 0.009 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.007 -7.702 -0.632 1.00 0.00 C ATOM 1019 C ALA A 63 -11.471 -9.094 -0.271 1.00 0.00 C ATOM 1020 O ALA A 63 -10.314 -9.420 -0.565 1.00 0.00 O ATOM 1021 CB ALA A 63 -12.037 -7.468 -2.150 1.00 0.00 C ATOM 0 H ALA A 63 -11.015 -5.872 -0.629 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.030 -7.672 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.609 -8.263 -2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.505 -6.507 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.019 -7.468 -2.538 1.00 0.00 H new